| 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 | 82.3 | Confident | 89.3 | Confident | 22 Ų | 22 | 27.6 Ų | 27.6 | 11% | 0.108 | 13% | 0.127 | C | C | . | . | 0 | 130 | 0 | -173.2 | -174.3 | -83.5 | 0 | 0 | 106.1 | L5 F6 N41 Y42 T44 L47 R137 F140 | M1-L5 HydrophobicContact CE-CD1 4.03Å; M1-L5 HydrophobicContact CG-CB 4.31Å; M1-L5 HydrophobicContact CG-CD1 3.52Å; M1-L5 HydrophobicContact CG-CG 4.45Å; M1-L5 HydrophobicContact SD-CB 3.94Å; M1-L5 HydrophobicContact SD-CD1 3.47Å; M1-L5 WeakPolarHBondContact SD-CD1 3.2Å; M1-L5 HydrophobicContact SD-CG 4.36Å; M1-F6 HydrophobicContact SD-CE2 4.39Å; M1-N41 PolarHBondContact N-OD1 3.41Å; M1-N41 CarbonylContact O-C 3.53Å; M1-Y42 PolarHBondContact N-O 2.76Å; M1-Y42 PolarHBondContact O-N 3.19Å; M1-T44 HydrophobicContact CE-CG2 3.97Å; M1-L47 HydrophobicContact CE-CD2 3.98Å; M1-L47 HydrophobicContact SD-CB 4.23Å; M1-L47 HydrophobicContact SD-CD2 3.44Å; M1-L47 WeakPolarHBondContact SD-CD2 3.47Å; M1-L47 HydrophobicContact SD-CG 4.4Å; M1-R137 HydrophobicContact CE-CG 4.47Å; M1-R137 VanDerWaalsContact CE-NE 3.26Å; M1-F140 HydrophobicContact CE-CE1 4.18Å; M1-F140 HydrophobicContact CE-CE2 3.82Å; M1-F140 HydrophobicContact CE-CZ 3.39Å; M1-F140 HydrophobicContact SD-CZ 4.37Å | |||
| 2 | Y | 86.9 | Confident | 89.5 | Confident | 25 Ų | 25 | 25.8 Ų | 25.8 | 10% | 0.098 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 147.9 | -177.5 | -80.2 | -80.7 | 0 | 0 | 0 | 111.6 | L4 L5 N39 K40 Y111 K113 I114 | Y2-L4 PolarHBondContact O-N 3.42Å; Y2-L4 VanDerWaalsContact O-N 3.1Å; Y2-L5 PolarHBondContact O-N 3.12Å; Y2-N39 WeakPolarHBondContact CD1-O 3.38Å; Y2-N39 VanDerWaalsContact CE1-O 3.24Å; Y2-N39 WeakPolarHBondContact CE1-O 3.12Å; Y2-K40 CarbonylContact C-O 3.45Å; Y2-K40 WeakPolarHBondContact CA-O 3.43Å; Y2-Y111 AromaticContact CD1-CD1 3.51Å; Y2-Y111 HydrophobicContact CD1-CD1 3.51Å; Y2-Y111 HydrophobicContact CD1-CE1 4.08Å; Y2-Y111 AromaticContact CD2-CD1 3.92Å; Y2-Y111 HydrophobicContact CD2-CD1 3.92Å; Y2-Y111 HydrophobicContact CD2-CG 4.2Å; Y2-Y111 AromaticContact CE1-CD1 3.68Å; Y2-Y111 HydrophobicContact CE1-CD1 3.68Å; Y2-Y111 HydrophobicContact CE2-CD1 4.1Å; Y2-Y111 HydrophobicContact CE2-CG 4.25Å; Y2-Y111 AromaticContact CG-CD1 3.61Å; Y2-Y111 HydrophobicContact CG-CD1 3.61Å; Y2-Y111 HydrophobicContact CG-CE1 4.23Å; Y2-Y111 HydrophobicContact CG-CG 4.32Å; Y2-Y111 AromaticContact CZ-CD1 3.96Å; Y2-K113 HydrophobicContact CE2-CB 4.36Å; Y2-K113 WeakPolarHBondContact OH-CB 3.22Å; Y2-K113 PolarHBondContact OH-N 2.85Å; Y2-I114 HydrophobicContact CD2-CB 4.45Å; Y2-I114 HydrophobicContact CE2-CB 4.15Å |
| 3 | G | 86.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L5 F6 E7 I36 T38 K40 | G3-L5 PolarHBondContact O-N 3.04Å; G3-F6 WeakPolarHBondContact O-CA 3.46Å; G3-F6 WeakPolarHBondContact O-CB 3.33Å; G3-F6 PolarHBondContact O-N 3.16Å; G3-E7 PolarHBondContact O-N 3.4Å; G3-I36 WeakPolarHBondContact O-CG2 3.49Å; G3-T38 PolarHBondContact N-O 3.17Å; G3-T38 VanDerWaalsContact N-O 3.09Å; G3-K40 PolarHBondContact N-O 3.3Å |
| 4 | L | 88.4 | Confident | 89.6 | Confident | 30 Ų | 30 | 25.1 Ų | 25.1 | 16% | 0.157 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -51.3 | -42.7 | 172.8 | -177.1 | 64.8 | 0 | 0 | 0 | 112.6 | Y2 F6 E7 I8 T38 Y76 L77 Y111 | Y2-L4 PolarHBondContact O-N 3.42Å; Y2-L4 VanDerWaalsContact O-N 3.1Å; L4-F6 VanDerWaalsContact C-N 3.32Å; L4-F6 PolarHBondContact O-N 3.42Å; L4-E7 PolarHBondContact O-N 3.31Å; L4-I8 HydrophobicContact CD1-CD1 4.41Å; L4-I8 HydrophobicContact CG-CD1 4.08Å; L4-I8 WeakPolarHBondContact O-CD1 3.48Å; L4-I8 VanDerWaalsContact O-CG1 3.22Å; L4-I8 WeakPolarHBondContact O-CG1 3.12Å; L4-I8 PolarHBondContact O-N 3.02Å; L4-T38 PolarHBondContact N-O 2.86Å; L4-Y76 HydrophobicContact CD1-CE1 3.95Å; L4-L77 HydrophobicContact CD2-CD2 4.36Å; L4-Y111 HydrophobicContact CD2-CE2 4.2Å |
| 5 | L | 90.3 | Very high | 89.6 | Confident | 30 Ų | 30 | 32.7 Ų | 32.7 | 16% | 0.157 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.6 | -28.6 | 177.7 | -73.8 | 172.2 | 0 | 0 | 0 | 112.8 | M1 Y2 G3 I8 L9 F69 F140 | M1-L5 HydrophobicContact CE-CD1 4.03Å; M1-L5 HydrophobicContact CG-CB 4.31Å; M1-L5 HydrophobicContact CG-CD1 3.52Å; M1-L5 HydrophobicContact CG-CG 4.45Å; M1-L5 HydrophobicContact SD-CB 3.94Å; M1-L5 HydrophobicContact SD-CD1 3.47Å; M1-L5 WeakPolarHBondContact SD-CD1 3.2Å; M1-L5 HydrophobicContact SD-CG 4.36Å; Y2-L5 PolarHBondContact O-N 3.12Å; G3-L5 PolarHBondContact O-N 3.04Å; L5-I8 HydrophobicContact CD2-CD1 4.45Å; L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 PolarHBondContact O-N 3.27Å; L5-L9 VanDerWaalsContact O-N 3.11Å; L5-F69 HydrophobicContact CB-CZ 4.37Å; L5-F69 HydrophobicContact CD2-CZ 3.96Å; L5-F69 WeakPolarHBondContact O-CZ 3.22Å; L5-F140 HydrophobicContact CD1-CE1 4.37Å |
| 6 | F | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.7 | -40.6 | 173.6 | -74.9 | -105.4 | 0 | 0 | 0 | 110.8 | M1 G3 L4 L9 R10 L34 I36 Y42 L46 L47 I50 | M1-F6 HydrophobicContact SD-CE2 4.39Å; G3-F6 WeakPolarHBondContact O-CA 3.46Å; G3-F6 WeakPolarHBondContact O-CB 3.33Å; G3-F6 PolarHBondContact O-N 3.16Å; L4-F6 VanDerWaalsContact C-N 3.32Å; L4-F6 PolarHBondContact O-N 3.42Å; F6-L9 PolarHBondContact O-N 3.19Å; F6-R10 WeakPolarHBondContact O-CB 3.07Å; F6-R10 PolarHBondContact O-N 3.08Å; F6-L34 HydrophobicContact CD1-CD2 4.05Å; F6-L34 HydrophobicContact CE1-CD2 4.35Å; F6-I36 HydrophobicContact CB-CD1 4.12Å; F6-I36 HydrophobicContact CB-CG1 4.39Å; F6-I36 HydrophobicContact CB-CG2 3.81Å; F6-Y42 HydrophobicContact CD2-CD2 4.22Å; F6-Y42 HydrophobicContact CD2-CG 4.37Å; F6-Y42 HydrophobicContact CE2-CD2 4.29Å; F6-Y42 HydrophobicContact CE2-CG 4.05Å; F6-Y42 HydrophobicContact CZ-CG 4.26Å; F6-L46 HydrophobicContact CE1-CB 4.37Å; F6-L46 HydrophobicContact CE1-CD2 3.78Å; F6-L46 HydrophobicContact CE1-CG 3.9Å; F6-L46 HydrophobicContact CZ-CB 4.12Å; F6-L46 HydrophobicContact CZ-CD2 4.01Å; F6-L46 HydrophobicContact CZ-CG 4.14Å; F6-L47 HydrophobicContact CD1-CD1 3.82Å; F6-L47 HydrophobicContact CD2-CD1 4.02Å; F6-L47 HydrophobicContact CE1-CB 4.15Å; F6-L47 HydrophobicContact CE1-CD1 3.87Å; F6-L47 HydrophobicContact CE2-CB 4.01Å; F6-L47 HydrophobicContact CE2-CD1 4.03Å; F6-L47 HydrophobicContact CG-CD1 3.9Å; F6-L47 HydrophobicContact CZ-CB 3.65Å; F6-L47 HydrophobicContact CZ-CD1 3.97Å; F6-L47 HydrophobicContact CZ-CG 4.43Å; F6-I50 HydrophobicContact CD1-CD1 4.18Å; F6-I50 HydrophobicContact CE1-CD1 3.8Å |
| 7 | E | 90.7 | Very high | 89.6 | Confident | 45 Ų | 45 | 36.9 Ų | 36.9 | 21% | 0.21 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.2 | -41.6 | 178.4 | -169.8 | 62.5 | -166.9 | 0 | 0 | 111.6 | G3 L4 R10 N11 I36 T38 Y76 | G3-E7 PolarHBondContact O-N 3.4Å; L4-E7 PolarHBondContact O-N 3.31Å; E7-R10 PolarHBondContact O-N 3.45Å; E7-N11 WeakPolarHBondContact O-CB 3.03Å; E7-N11 PolarHBondContact O-N 3.25Å; E7-I36 HydrophobicContact CB-CG2 4.3Å; E7-T38 HydrophobicContact CB-CG2 4.4Å; E7-Y76 WeakPolarHBondContact CG-OH 3.36Å |
| 8 | I | 92 | Very high | 89.5 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 173.6 | -64.2 | 163.9 | 0 | 0 | 0 | 110.7 | L4 L5 N11 Y12 F69 S73 Y76 | L4-I8 HydrophobicContact CD1-CD1 4.41Å; L4-I8 HydrophobicContact CG-CD1 4.08Å; L4-I8 WeakPolarHBondContact O-CD1 3.48Å; L4-I8 VanDerWaalsContact O-CG1 3.22Å; L4-I8 WeakPolarHBondContact O-CG1 3.12Å; L4-I8 PolarHBondContact O-N 3.02Å; L5-I8 HydrophobicContact CD2-CD1 4.45Å; I8-N11 PolarHBondContact O-N 3.13Å; I8-Y12 PolarHBondContact O-N 2.78Å; I8-F69 HydrophobicContact CB-CE2 3.94Å; I8-F69 HydrophobicContact CG2-CD2 4.08Å; I8-F69 HydrophobicContact CG2-CE2 3.59Å; I8-S73 WeakPolarHBondContact CG2-OG 3.48Å; I8-Y76 HydrophobicContact CD1-CD1 3.99Å; I8-Y76 HydrophobicContact CD1-CE1 4.47Å; I8-Y76 HydrophobicContact CG1-CD1 3.36Å; I8-Y76 HydrophobicContact CG1-CD2 4.41Å; I8-Y76 HydrophobicContact CG1-CE1 3.74Å; I8-Y76 HydrophobicContact CG1-CG 3.73Å |
| 9 | L | 92 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 179 | -176.5 | 68.8 | 0 | 0 | 0 | 110.9 | L5 F6 Y12 V13 W22 L47 I50 I51 L54 F69 | L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 PolarHBondContact O-N 3.27Å; L5-L9 VanDerWaalsContact O-N 3.11Å; F6-L9 PolarHBondContact O-N 3.19Å; L9-Y12 HydrophobicContact CD1-CD1 4.1Å; L9-Y12 WeakPolarHBondContact O-CB 3.46Å; L9-Y12 PolarHBondContact O-N 3.06Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.5Å; L9-V13 PolarHBondContact O-N 2.96Å; L9-W22 HydrophobicContact CB-CZ3 4.3Å; L9-W22 HydrophobicContact CD2-CH2 4.39Å; L9-W22 HydrophobicContact CD2-CZ3 3.86Å; L9-W22 HydrophobicContact CG-CZ3 3.89Å; L9-L47 HydrophobicContact CB-CD1 4.41Å; L9-L47 HydrophobicContact CD2-CD1 3.51Å; L9-L47 HydrophobicContact CD2-CG 4.27Å; L9-I50 HydrophobicContact CD2-CG2 4.18Å; L9-I51 HydrophobicContact CD1-CD1 4.42Å; L9-I51 HydrophobicContact CD1-CG1 4.24Å; L9-I51 HydrophobicContact CD2-CD1 4.11Å; L9-I51 HydrophobicContact CD2-CG1 3.67Å; L9-L54 HydrophobicContact CD2-CD1 4.36Å; L9-F69 HydrophobicContact CB-CD2 4.24Å; L9-F69 HydrophobicContact CB-CE2 3.79Å; L9-F69 HydrophobicContact CB-CZ 4.2Å; L9-F69 HydrophobicContact CD1-CB 4.45Å; L9-F69 HydrophobicContact CD1-CD1 4.46Å; L9-F69 HydrophobicContact CD1-CD2 3.9Å; L9-F69 HydrophobicContact CD1-CE2 4.24Å; L9-F69 HydrophobicContact CD1-CG 4.04Å |
| 10 | R | 91.1 | Very high | 89.3 | Confident | 90 Ų | 90 | 40.3 Ų | 40.3 | 34% | 0.34 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.8 | -52.1 | 174 | 176.2 | -176.6 | 177.2 | -171.9 | 7.4 | 110.7 | F6 E7 Y12 V13 D14 W22 I36 | F6-R10 WeakPolarHBondContact O-CB 3.07Å; F6-R10 PolarHBondContact O-N 3.08Å; E7-R10 PolarHBondContact O-N 3.45Å; R10-Y12 VanDerWaalsContact C-N 3.29Å; R10-Y12 PolarHBondContact O-N 3.35Å; R10-V13 PolarHBondContact O-N 3.43Å; R10-V13 VanDerWaalsContact O-N 3.1Å; R10-D14 WeakPolarHBondContact CG-OD2 3.46Å; R10-D14 IonicContact NE-OD2 3.75Å; R10-D14 PolarHBondContact NE-OD2 2.87Å; R10-D14 WeakPolarHBondContact O-CB 3.27Å; R10-D14 PolarHBondContact O-N 3.49Å; R10-W22 HydrophobicContact CB-CD2 3.86Å; R10-W22 HydrophobicContact CB-CE3 4.11Å; R10-W22 HydrophobicContact CB-CG 4.46Å; R10-W22 HydrophobicContact CB-CH2 4.09Å; R10-W22 HydrophobicContact CB-CZ2 3.86Å; R10-W22 HydrophobicContact CB-CZ3 4.21Å; R10-W22 HydrophobicContact CG-CD2 3.89Å; R10-W22 HydrophobicContact CG-CG 3.97Å; R10-W22 HydrophobicContact CG-CZ2 4.39Å; R10-I36 HydrophobicContact CB-CD1 4.15Å |
| 11 | N | 90.9 | Very high | 89.3 | Confident | 59 Ų | 59 | 39.9 Ų | 39.9 | 32% | 0.316 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.1 | -43.7 | 180 | -175.3 | -74.3 | 0 | 0 | 0 | 111.7 | E7 I8 M15 Y76 | E7-N11 WeakPolarHBondContact O-CB 3.03Å; E7-N11 PolarHBondContact O-N 3.25Å; I8-N11 PolarHBondContact O-N 3.13Å; N11-M15 WeakPolarHBondContact O-CB 3.42Å; N11-M15 VanDerWaalsContact O-CG 3.3Å; N11-M15 WeakPolarHBondContact O-CG 3.34Å; N11-M15 PolarHBondContact O-N 3.16Å; N11-M15 PolarHBondContact OD1-SD 3.44Å; N11-Y76 HydrophobicContact CB-CD2 4.25Å; N11-Y76 HydrophobicContact CB-CE2 4.34Å |
| 12 | Y | 92.7 | Very high | 89.6 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.5 | -49.5 | 173.6 | 159.3 | -117.5 | 0 | 0 | 0 | 112.7 | I8 L9 R10 M15 T16 F17 I65 E68 K72 | I8-Y12 PolarHBondContact O-N 2.78Å; L9-Y12 HydrophobicContact CD1-CD1 4.1Å; L9-Y12 WeakPolarHBondContact O-CB 3.46Å; L9-Y12 PolarHBondContact O-N 3.06Å; R10-Y12 VanDerWaalsContact C-N 3.29Å; R10-Y12 PolarHBondContact O-N 3.35Å; Y12-M15 PolarHBondContact O-N 2.96Å; Y12-T16 WeakPolarHBondContact CD2-OG1 3.34Å; Y12-T16 HydrophobicContact CE2-CG2 4.3Å; Y12-T16 WeakPolarHBondContact CE2-OG1 3.35Å; Y12-T16 VanDerWaalsContact O-CB 3.31Å; Y12-T16 WeakPolarHBondContact O-CB 3.45Å; Y12-T16 PolarHBondContact O-N 3.2Å; Y12-T16 PolarHBondContact O-OG1 3.45Å; Y12-F17 HydrophobicContact CE1-CE2 4.25Å; Y12-F17 HydrophobicContact CE2-CE2 4.26Å; Y12-F17 AromaticContact CZ-CE2 3.77Å; Y12-I65 HydrophobicContact CE1-CG2 4.34Å; Y12-E68 HydrophobicContact CE2-CB 3.93Å; Y12-K72 HydrophobicContact CD2-CB 4.5Å; Y12-K72 HydrophobicContact CD2-CG 3.72Å; Y12-K72 HydrophobicContact CG-CG 4.25Å |
| 13 | V | 90.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -44.5 | -178.2 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | L9 R10 M15 T16 F17 G18 T21 W22 L54 | L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.5Å; L9-V13 PolarHBondContact O-N 2.96Å; R10-V13 PolarHBondContact O-N 3.43Å; R10-V13 VanDerWaalsContact O-N 3.1Å; V13-M15 PolarHBondContact O-N 3.42Å; V13-T16 PolarHBondContact O-N 3.05Å; V13-F17 HydrophobicContact CG1-CD2 4.46Å; V13-F17 CarbonylContact O-C 3.45Å; V13-F17 WeakPolarHBondContact O-CA 3.34Å; V13-F17 PolarHBondContact O-N 3.14Å; V13-G18 PolarHBondContact O-N 3.19Å; V13-G18 VanDerWaalsContact O-N 3.15Å; V13-T21 HydrophobicContact CG1-CG2 4.03Å; V13-W22 HydrophobicContact CB-CB 4.41Å; V13-W22 HydrophobicContact CB-CE3 4.31Å; V13-W22 HydrophobicContact CG1-CB 3.88Å; V13-W22 HydrophobicContact CG2-CE3 4.28Å; V13-L54 HydrophobicContact CG1-CD2 4.1Å; V13-L54 HydrophobicContact CG2-CD1 3.72Å; V13-L54 HydrophobicContact CG2-CD2 4.18Å |
| 14 | D | 90.1 | Very high | 89.7 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 23% | 0.225 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 179.6 | -70.1 | -4 | 0 | 0 | 0 | 111 | R10 G18 P19 W22 | R10-D14 WeakPolarHBondContact CG-OD2 3.46Å; R10-D14 IonicContact NE-OD2 3.75Å; R10-D14 PolarHBondContact NE-OD2 2.87Å; R10-D14 WeakPolarHBondContact O-CB 3.27Å; R10-D14 PolarHBondContact O-N 3.49Å; D14-G18 VanDerWaalsContact O-CA 3.22Å; D14-G18 WeakPolarHBondContact O-CA 3.42Å; D14-G18 PolarHBondContact O-N 3.35Å; D14-P19 WeakPolarHBondContact OD1-CA 3.1Å; D14-W22 WeakPolarHBondContact OD1-CB 3.24Å |
| 15 | M | 88.9 | Confident | 89.7 | Confident | 139 Ų | 139 | 42.7 Ų | 42.7 | 69% | 0.685 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -72.7 | -32.7 | 179.4 | -72.2 | -168.8 | 78.5 | 0 | 0 | 113.9 | N11 Y12 V13 | N11-M15 WeakPolarHBondContact O-CB 3.42Å; N11-M15 VanDerWaalsContact O-CG 3.3Å; N11-M15 WeakPolarHBondContact O-CG 3.34Å; N11-M15 PolarHBondContact O-N 3.16Å; N11-M15 PolarHBondContact OD1-SD 3.44Å; Y12-M15 PolarHBondContact O-N 2.96Å; V13-M15 PolarHBondContact O-N 3.42Å |
| 16 | T | 89.5 | Confident | 89.6 | Confident | 72 Ų | 72 | 41.4 Ų | 41.4 | 44% | 0.442 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -97.9 | -36.7 | -171 | -45.2 | 0 | 0 | 0 | 0 | 112.7 | Y12 V13 | Y12-T16 WeakPolarHBondContact CD2-OG1 3.34Å; Y12-T16 HydrophobicContact CE2-CG2 4.3Å; Y12-T16 WeakPolarHBondContact CE2-OG1 3.35Å; Y12-T16 VanDerWaalsContact O-CB 3.31Å; Y12-T16 WeakPolarHBondContact O-CB 3.45Å; Y12-T16 PolarHBondContact O-N 3.2Å; Y12-T16 PolarHBondContact O-OG1 3.45Å; V13-T16 PolarHBondContact O-N 3.05Å |
| 17 | F | 89.2 | Confident | 89.5 | Confident | 65 Ų | 65 | 47.4 Ų | 47.4 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -124.4 | -2.9 | -173.8 | -51.8 | -73.5 | 0 | 0 | 0 | 113.5 | Y12 V13 T21 I58 L60 | Y12-F17 HydrophobicContact CE1-CE2 4.25Å; Y12-F17 HydrophobicContact CE2-CE2 4.26Å; Y12-F17 AromaticContact CZ-CE2 3.77Å; V13-F17 HydrophobicContact CG1-CD2 4.46Å; V13-F17 CarbonylContact O-C 3.45Å; V13-F17 WeakPolarHBondContact O-CA 3.34Å; V13-F17 PolarHBondContact O-N 3.14Å; F17-T21 HydrophobicContact CB-CG2 4Å; F17-T21 PolarHBondContact O-OG1 3.43Å; F17-I58 HydrophobicContact CD1-CD1 4.45Å; F17-I58 HydrophobicContact CD1-CG1 4.26Å; F17-I58 HydrophobicContact CD1-CG2 3.99Å; F17-I58 HydrophobicContact CD2-CD1 3.73Å; F17-I58 HydrophobicContact CD2-CG1 4.36Å; F17-I58 HydrophobicContact CE1-CB 4.48Å; F17-I58 HydrophobicContact CE1-CD1 4.35Å; F17-I58 HydrophobicContact CE1-CG1 4.31Å; F17-I58 HydrophobicContact CE1-CG2 3.34Å; F17-I58 HydrophobicContact CE2-CD1 3.62Å; F17-I58 HydrophobicContact CE2-CG1 4.41Å; F17-I58 HydrophobicContact CE2-CG2 4.36Å; F17-I58 HydrophobicContact CG-CD1 4.16Å; F17-I58 HydrophobicContact CG-CG1 4.29Å; F17-I58 HydrophobicContact CZ-CD1 3.95Å; F17-I58 HydrophobicContact CZ-CG1 4.39Å; F17-I58 HydrophobicContact CZ-CG2 3.56Å; F17-L60 HydrophobicContact CZ-CD1 4.22Å |
| 18 | G | 88.2 | Confident | 89.3 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | trans | 86 | 157.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V13 D14 S20 T21 | V13-G18 PolarHBondContact O-N 3.19Å; V13-G18 VanDerWaalsContact O-N 3.15Å; D14-G18 VanDerWaalsContact O-CA 3.22Å; D14-G18 WeakPolarHBondContact O-CA 3.42Å; D14-G18 PolarHBondContact O-N 3.35Å; G18-S20 VanDerWaalsContact C-N 3.29Å; G18-S20 PolarHBondContact O-N 3.45Å; G18-T21 WeakPolarHBondContact O-CB 3.39Å; G18-T21 PolarHBondContact O-N 3.46Å; G18-T21 VanDerWaalsContact O-N 3.17Å | ||
| 19 | P | 87.5 | Confident | 89.1 | Confident | 76 Ų | 76 | 50.9 Ų | 50.9 | 49% | 0.494 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.5 | -29.5 | -172.5 | 24.5 | -34 | 0 | 0 | 0 | 114 | D14 T21 W22 E23 | D14-P19 WeakPolarHBondContact OD1-CA 3.1Å; P19-T21 PolarHBondContact O-N 3.26Å; P19-W22 PolarHBondContact O-N 3.08Å; P19-E23 WeakPolarHBondContact O-CG 3.47Å; P19-E23 PolarHBondContact O-N 3.02Å; P19-E23 VanDerWaalsContact O-N 3.12Å |
| 20 | S | 87.8 | Confident | 88.7 | Confident | 82 Ų | 82 | 54 Ų | 54 | 57% | 0.573 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.2 | -31.8 | 177.5 | 54 | 0 | 0 | 0 | 0 | 112.9 | G18 A24 | G18-S20 VanDerWaalsContact C-N 3.29Å; G18-S20 PolarHBondContact O-N 3.45Å; S20-A24 WeakPolarHBondContact O-CB 3.41Å; S20-A24 PolarHBondContact O-N 3.48Å |
| 21 | T | 88.5 | Confident | 88.2 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 19% | 0.19 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.9 | -41.1 | -179.5 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | V13 F17 G18 P19 A25 L54 I58 | V13-T21 HydrophobicContact CG1-CG2 4.03Å; F17-T21 HydrophobicContact CB-CG2 4Å; F17-T21 PolarHBondContact O-OG1 3.43Å; G18-T21 WeakPolarHBondContact O-CB 3.39Å; G18-T21 PolarHBondContact O-N 3.46Å; G18-T21 VanDerWaalsContact O-N 3.17Å; P19-T21 PolarHBondContact O-N 3.26Å; T21-A25 WeakPolarHBondContact O-CB 3.21Å; T21-A25 PolarHBondContact O-N 3.33Å; T21-A25 VanDerWaalsContact O-N 3.16Å; T21-L54 HydrophobicContact CG2-CD2 4.04Å; T21-I58 HydrophobicContact CG2-CG1 4.4Å |
| 22 | W | 88.3 | Confident | 87.7 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 5% | 0.045 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.5 | -49.5 | 174.7 | 174.3 | -102.9 | 0 | 0 | 0 | 111.4 | L9 R10 V13 D14 P19 A24 A25 V26 I36 I50 | L9-W22 HydrophobicContact CB-CZ3 4.3Å; L9-W22 HydrophobicContact CD2-CH2 4.39Å; L9-W22 HydrophobicContact CD2-CZ3 3.86Å; L9-W22 HydrophobicContact CG-CZ3 3.89Å; R10-W22 HydrophobicContact CB-CD2 3.86Å; R10-W22 HydrophobicContact CB-CE3 4.11Å; R10-W22 HydrophobicContact CB-CG 4.46Å; R10-W22 HydrophobicContact CB-CH2 4.09Å; R10-W22 HydrophobicContact CB-CZ2 3.86Å; R10-W22 HydrophobicContact CB-CZ3 4.21Å; R10-W22 HydrophobicContact CG-CD2 3.89Å; R10-W22 HydrophobicContact CG-CG 3.97Å; R10-W22 HydrophobicContact CG-CZ2 4.39Å; V13-W22 HydrophobicContact CB-CB 4.41Å; V13-W22 HydrophobicContact CB-CE3 4.31Å; V13-W22 HydrophobicContact CG1-CB 3.88Å; V13-W22 HydrophobicContact CG2-CE3 4.28Å; D14-W22 WeakPolarHBondContact OD1-CB 3.24Å; P19-W22 PolarHBondContact O-N 3.08Å; W22-A24 VanDerWaalsContact C-N 3.35Å; W22-A24 PolarHBondContact O-N 2.83Å; W22-A25 PolarHBondContact O-N 3.34Å; W22-V26 HydrophobicContact CD2-CG2 3.91Å; W22-V26 VanDerWaalsContact CE2-CG2 3.45Å; W22-V26 HydrophobicContact CE3-CG2 4.42Å; W22-V26 HydrophobicContact CG-CG2 4.4Å; W22-V26 HydrophobicContact CH2-CG2 4.14Å; W22-V26 HydrophobicContact CZ2-CG2 3.56Å; W22-V26 WeakPolarHBondContact O-CG2 3.35Å; W22-V26 PolarHBondContact O-N 3.29Å; W22-I36 HydrophobicContact CZ2-CD1 3.71Å; W22-I50 HydrophobicContact CH2-CG2 4.31Å; W22-I50 HydrophobicContact CZ3-CG2 3.93Å |
| 23 | E | 88.2 | Confident | 87.1 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.3 | -44.5 | -179.3 | -71 | 178.6 | -175.8 | 0 | 0 | 112.1 | P19 V26 Q27 | P19-E23 WeakPolarHBondContact O-CG 3.47Å; P19-E23 PolarHBondContact O-N 3.02Å; P19-E23 VanDerWaalsContact O-N 3.12Å; E23-V26 PolarHBondContact O-N 2.97Å; E23-Q27 VanDerWaalsContact O-CB 3.22Å; E23-Q27 WeakPolarHBondContact O-CB 3.22Å; E23-Q27 PolarHBondContact O-N 3.07Å |
| 24 | A | 87.5 | Confident | 86.5 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S20 W22 Q27 I28 F57 | S20-A24 WeakPolarHBondContact O-CB 3.41Å; S20-A24 PolarHBondContact O-N 3.48Å; W22-A24 VanDerWaalsContact C-N 3.35Å; W22-A24 PolarHBondContact O-N 2.83Å; A24-Q27 PolarHBondContact O-N 3.48Å; A24-I28 WeakPolarHBondContact O-CG1 3.41Å; A24-I28 PolarHBondContact O-N 3.16Å; A24-I28 VanDerWaalsContact O-N 3.13Å; A24-F57 HydrophobicContact CB-CE2 4.33Å; A24-F57 HydrophobicContact CB-CZ 4.27Å |
| 25 | A | 88.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T21 W22 I28 V29 T53 L54 F57 | T21-A25 WeakPolarHBondContact O-CB 3.21Å; T21-A25 PolarHBondContact O-N 3.33Å; T21-A25 VanDerWaalsContact O-N 3.16Å; W22-A25 PolarHBondContact O-N 3.34Å; A25-I28 PolarHBondContact O-N 3.31Å; A25-V29 WeakPolarHBondContact O-CG2 3.39Å; A25-V29 PolarHBondContact O-N 2.86Å; A25-T53 HydrophobicContact CB-CG2 4.29Å; A25-L54 HydrophobicContact CB-CD2 3.61Å; A25-L54 HydrophobicContact CB-CG 3.89Å; A25-F57 HydrophobicContact CB-CD2 4.32Å; A25-F57 HydrophobicContact CB-CE2 4.32Å |
| 26 | V | 88.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 178.2 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | W22 E23 I28 V29 N30 L34 I50 | W22-V26 HydrophobicContact CD2-CG2 3.91Å; W22-V26 VanDerWaalsContact CE2-CG2 3.45Å; W22-V26 HydrophobicContact CE3-CG2 4.42Å; W22-V26 HydrophobicContact CG-CG2 4.4Å; W22-V26 HydrophobicContact CH2-CG2 4.14Å; W22-V26 HydrophobicContact CZ2-CG2 3.56Å; W22-V26 WeakPolarHBondContact O-CG2 3.35Å; W22-V26 PolarHBondContact O-N 3.29Å; E23-V26 PolarHBondContact O-N 2.97Å; V26-I28 VanDerWaalsContact C-N 3.32Å; V26-I28 PolarHBondContact O-N 3.49Å; V26-V29 PolarHBondContact O-N 3.37Å; V26-N30 HydrophobicContact CG1-CB 4.3Å; V26-N30 VanDerWaalsContact O-CB 3.28Å; V26-N30 WeakPolarHBondContact O-CB 3.37Å; V26-N30 PolarHBondContact O-N 3.36Å; V26-L34 HydrophobicContact CG1-CB 3.57Å; V26-I50 HydrophobicContact CG2-CD1 4.35Å |
| 27 | Q | 88.5 | Confident | 85.7 | Confident | 127 Ų | 127 | 66.9 Ų | 66.9 | 59% | 0.593 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | 179.6 | -169.8 | 174.4 | 18.6 | 0 | 0 | 112 | E23 A24 G31 | E23-Q27 VanDerWaalsContact O-CB 3.22Å; E23-Q27 WeakPolarHBondContact O-CB 3.22Å; E23-Q27 PolarHBondContact O-N 3.07Å; A24-Q27 PolarHBondContact O-N 3.48Å; Q27-G31 WeakPolarHBondContact O-CA 3.2Å; Q27-G31 PolarHBondContact O-N 3.07Å |
| 28 | I | 87.9 | Confident | 85.4 | Confident | 107 Ų | 107 | 66.3 Ų | 66.3 | 55% | 0.549 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67 | -42.9 | 175.9 | -71.6 | 179.8 | 0 | 0 | 0 | 111.8 | A24 A25 V26 T53 F57 | A24-I28 WeakPolarHBondContact O-CG1 3.41Å; A24-I28 PolarHBondContact O-N 3.16Å; A24-I28 VanDerWaalsContact O-N 3.13Å; A25-I28 PolarHBondContact O-N 3.31Å; V26-I28 VanDerWaalsContact C-N 3.32Å; V26-I28 PolarHBondContact O-N 3.49Å; I28-T53 HydrophobicContact CB-CG2 4.28Å; I28-T53 HydrophobicContact CD1-CG2 4.36Å; I28-T53 HydrophobicContact CG2-CG2 4.11Å; I28-F57 HydrophobicContact CD1-CE1 4.47Å; I28-F57 HydrophobicContact CD1-CE2 3.75Å; I28-F57 HydrophobicContact CD1-CZ 3.36Å |
| 29 | V | 86.5 | Confident | 85 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 9% | 0.085 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -81.4 | -40.1 | -173.1 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | A25 V26 L46 R49 I50 T53 | A25-V29 WeakPolarHBondContact O-CG2 3.39Å; A25-V29 PolarHBondContact O-N 2.86Å; V26-V29 PolarHBondContact O-N 3.37Å; V29-L46 HydrophobicContact CG1-CD1 3.78Å; V29-R49 HydrophobicContact CG1-CB 3.69Å; V29-R49 HydrophobicContact CG2-CB 4.36Å; V29-I50 HydrophobicContact CB-CG1 4.19Å; V29-I50 HydrophobicContact CG1-CG1 4.16Å; V29-I50 HydrophobicContact CG2-CG1 4.29Å; V29-T53 HydrophobicContact CG2-CG2 4.43Å; V29-T53 VanDerWaalsContact CG2-OG1 3.31Å; V29-T53 WeakPolarHBondContact CG2-OG1 3.39Å |
| 30 | N | 85 | Confident | 84.9 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 35% | 0.353 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -105.3 | -15.4 | -172.4 | -168.1 | 55 | 0 | 0 | 0 | 113.5 | V26 Q32 | V26-N30 HydrophobicContact CG1-CB 4.3Å; V26-N30 VanDerWaalsContact O-CB 3.28Å; V26-N30 WeakPolarHBondContact O-CB 3.37Å; V26-N30 PolarHBondContact O-N 3.36Å; N30-Q32 PolarHBondContact ND2-O 3.24Å; N30-Q32 PolarHBondContact O-N 3.24Å; N30-Q32 VanDerWaalsContact O-N 3.12Å |
| 31 | G | 80 | Confident | 84.8 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 54% | 0.536 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 77.5 | -19.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q27 | Q27-G31 WeakPolarHBondContact O-CA 3.2Å; Q27-G31 PolarHBondContact O-N 3.07Å |
| 32 | Q | 81.1 | Confident | 84.6 | Confident | 149 Ų | 149 | 71.3 Ų | 71.3 | 70% | 0.696 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -138.5 | 158.4 | 178.9 | -66.6 | 179.6 | -10.4 | 0 | 0 | 110.3 | N30 L34 | N30-Q32 PolarHBondContact ND2-O 3.24Å; N30-Q32 PolarHBondContact O-N 3.24Å; N30-Q32 VanDerWaalsContact O-N 3.12Å; Q32-L34 PolarHBondContact O-N 3.42Å |
| 33 | Q | 78.2 | Confident | 84.5 | Confident | 150 Ų | 150 | 74.1 Ų | 74.1 | 70% | 0.701 | 39% | 0.388 | S | S | * | . | trans | -55.7 | 137.2 | 170.2 | -75.7 | -169.2 | -16.2 | 0 | 0 | 110.2 | ||||
| 34 | L | 78 | Confident | 84.3 | Confident | 32 Ų | 32 | 72.5 Ų | 72.5 | 17% | 0.168 | 38% | 0.384 | C | S | . | . | trans | -100.9 | 111 | -177.8 | -173.3 | 75.6 | 0 | 0 | 0 | 109.1 | F6 V26 Q32 I36 Y42 L46 | F6-L34 HydrophobicContact CD1-CD2 4.05Å; F6-L34 HydrophobicContact CE1-CD2 4.35Å; V26-L34 HydrophobicContact CG1-CB 3.57Å; Q32-L34 PolarHBondContact O-N 3.42Å; L34-I36 HydrophobicContact CD2-CG1 4.19Å; L34-I36 HydrophobicContact CG-CG1 4.37Å; L34-I36 PolarHBondContact O-N 3.21Å; L34-Y42 HydrophobicContact CD1-CE1 4.06Å; L34-Y42 HydrophobicContact CD2-CE1 4.42Å; L34-Y42 HydrophobicContact CG-CE1 4.48Å; L34-L46 HydrophobicContact CD2-CD2 4.38Å | ||
| 35 | E | 82.5 | Confident | 84.2 | Confident | 165 Ų | 165 | 80.3 Ų | 80.3 | 77% | 0.771 | 41% | 0.406 | S | S | * | . | trans | -77.2 | 111.4 | 168 | -159.1 | -178.1 | 178.3 | 0 | 0 | 109.1 | Y42 | E35-Y42 PolarHBondContact O-OH 2.8Å; E35-Y42 VanDerWaalsContact O-OH 3.1Å | ||
| 36 | I | 83.5 | Confident | 84.3 | Confident | 23 Ų | 23 | 81.8 Ų | 81.8 | 12% | 0.118 | 41% | 0.414 | C | S | . | . | trans | -87 | 115.5 | -173.1 | -54 | 167.8 | 0 | 0 | 0 | 108.8 | G3 F6 E7 R10 W22 L34 | G3-I36 WeakPolarHBondContact O-CG2 3.49Å; F6-I36 HydrophobicContact CB-CD1 4.12Å; F6-I36 HydrophobicContact CB-CG1 4.39Å; F6-I36 HydrophobicContact CB-CG2 3.81Å; E7-I36 HydrophobicContact CB-CG2 4.3Å; R10-I36 HydrophobicContact CB-CD1 4.15Å; W22-I36 HydrophobicContact CZ2-CD1 3.71Å; L34-I36 HydrophobicContact CD2-CG1 4.19Å; L34-I36 HydrophobicContact CG-CG1 4.37Å; L34-I36 PolarHBondContact O-N 3.21Å | ||
| 37 | Q | 85.6 | Confident | 84.3 | Confident | 107 Ų | 107 | 81.7 Ų | 81.7 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | trans | -102.5 | 115.3 | 169.5 | -68.6 | 179.5 | -3 | 0 | 0 | 108.5 | N39 K40 Y42 | Q37-N39 PolarHBondContact O-N 3.2Å; Q37-N39 VanDerWaalsContact O-N 3.15Å; Q37-K40 HydrophobicContact CB-CB 3.77Å; Q37-K40 WeakPolarHBondContact O-CB 3.27Å; Q37-K40 PolarHBondContact O-N 3.2Å; Q37-Y42 PolarHBondContact N-OH 3.26Å | ||
| 38 | T | 84 | Confident | 84.4 | Confident | 53 Ų | 53 | 76.7 Ų | 76.7 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -38.2 | -175.5 | 53 | 0 | 0 | 0 | 0 | 113 | G3 L4 E7 | G3-T38 PolarHBondContact N-O 3.17Å; G3-T38 VanDerWaalsContact N-O 3.09Å; L4-T38 PolarHBondContact N-O 2.86Å; E7-T38 HydrophobicContact CB-CG2 4.4Å |
| 39 | N | 80.5 | Confident | 84.5 | Confident | 108 Ų | 108 | 78.4 Ų | 78.4 | 58% | 0.578 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -3.4 | -179.8 | -70.1 | -10.8 | 0 | 0 | 0 | 114.5 | Y2 Q37 Y111 | Y2-N39 WeakPolarHBondContact CD1-O 3.38Å; Y2-N39 VanDerWaalsContact CE1-O 3.24Å; Y2-N39 WeakPolarHBondContact CE1-O 3.12Å; Q37-N39 PolarHBondContact O-N 3.2Å; Q37-N39 VanDerWaalsContact O-N 3.15Å; N39-Y111 VanDerWaalsContact OD1-CE1 3.26Å; N39-Y111 WeakPolarHBondContact OD1-CE1 3.48Å |
| 40 | K | 84 | Confident | 84.7 | Confident | 110 Ų | 110 | 77.8 Ų | 77.8 | 48% | 0.478 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -86.1 | 145.4 | 176.7 | -170.4 | 172.8 | -178.6 | 176 | 0 | 110.7 | Y2 G3 Q37 Y42 | Y2-K40 CarbonylContact C-O 3.45Å; Y2-K40 WeakPolarHBondContact CA-O 3.43Å; G3-K40 PolarHBondContact N-O 3.3Å; Q37-K40 HydrophobicContact CB-CB 3.77Å; Q37-K40 WeakPolarHBondContact O-CB 3.27Å; Q37-K40 PolarHBondContact O-N 3.2Å; K40-Y42 HydrophobicContact CB-CE2 3.84Å; K40-Y42 HydrophobicContact CG-CE2 4.23Å; K40-Y42 WeakPolarHBondContact O-CD2 3.41Å |
| 41 | N | 85.2 | Confident | 85 | Confident | 69 Ų | 69 | 74.7 Ų | 74.7 | 37% | 0.369 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -92.1 | 121.1 | 175.1 | -90.1 | -58.5 | 0 | 0 | 0 | 111.1 | M1 | M1-N41 PolarHBondContact N-OD1 3.41Å; M1-N41 CarbonylContact O-C 3.53Å |
| 42 | Y | 86.2 | Confident | 85.6 | Confident | 27 Ų | 27 | 74.1 Ų | 74.1 | 11% | 0.106 | 36% | 0.358 | C | S | . | . | trans | -104.2 | 158.4 | 173.9 | -60.7 | -92.5 | 0 | 0 | 0 | 111.1 | M1 F6 L34 E35 Q37 K40 L46 | M1-Y42 PolarHBondContact N-O 2.76Å; M1-Y42 PolarHBondContact O-N 3.19Å; F6-Y42 HydrophobicContact CD2-CD2 4.22Å; F6-Y42 HydrophobicContact CD2-CG 4.37Å; F6-Y42 HydrophobicContact CE2-CD2 4.29Å; F6-Y42 HydrophobicContact CE2-CG 4.05Å; F6-Y42 HydrophobicContact CZ-CG 4.26Å; L34-Y42 HydrophobicContact CD1-CE1 4.06Å; L34-Y42 HydrophobicContact CD2-CE1 4.42Å; L34-Y42 HydrophobicContact CG-CE1 4.48Å; E35-Y42 PolarHBondContact O-OH 2.8Å; E35-Y42 VanDerWaalsContact O-OH 3.1Å; Q37-Y42 PolarHBondContact N-OH 3.26Å; K40-Y42 HydrophobicContact CB-CE2 3.84Å; K40-Y42 HydrophobicContact CG-CE2 4.23Å; K40-Y42 WeakPolarHBondContact O-CD2 3.41Å; Y42-L46 HydrophobicContact CD1-CD2 4.25Å | ||
| 43 | S | 85.8 | Confident | 86 | Confident | 71 Ų | 71 | 67.9 Ų | 67.9 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | trans | -64.9 | 134.1 | 174.6 | 180 | 0 | 0 | 0 | 0 | 110.6 | R45 L46 | S43-R45 PolarHBondContact O-N 3.35Å; S43-R45 PolarHBondContact OG-N 3.38Å; S43-L46 WeakPolarHBondContact O-CB 3.4Å; S43-L46 PolarHBondContact O-N 3.22Å | ||
| 44 | T | 83.3 | Confident | 86.5 | Confident | 56 Ų | 56 | 60.8 Ų | 60.8 | 34% | 0.344 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57 | -35.5 | 174.3 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | M1 L46 L47 T48 R137 | M1-T44 HydrophobicContact CE-CG2 3.97Å; T44-L46 PolarHBondContact O-N 2.83Å; T44-L47 PolarHBondContact O-N 3.47Å; T44-T48 PolarHBondContact O-N 3.09Å; T44-T48 PolarHBondContact O-OG1 3.24Å; T44-R137 HydrophobicContact CG2-CG 4.22Å |
| 45 | R | 86.3 | Confident | 87 | Confident | 199 Ų | 199 | 60.8 Ų | 60.8 | 75% | 0.751 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.9 | -27.3 | 178.2 | -66.1 | -176.6 | 176.5 | 172.3 | -1.7 | 113 | S43 R49 | S43-R45 PolarHBondContact O-N 3.35Å; S43-R45 PolarHBondContact OG-N 3.38Å; R45-R49 WeakPolarHBondContact O-CB 3.44Å; R45-R49 VanDerWaalsContact O-CG 3.24Å; R45-R49 WeakPolarHBondContact O-CG 3.25Å; R45-R49 PolarHBondContact O-N 3.06Å |
| 46 | L | 88.9 | Confident | 87.3 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 16% | 0.157 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.2 | -47.1 | 179.6 | -177.9 | 67.3 | 0 | 0 | 0 | 110.4 | F6 V29 L34 Y42 S43 T44 R49 I50 | F6-L46 HydrophobicContact CE1-CB 4.37Å; F6-L46 HydrophobicContact CE1-CD2 3.78Å; F6-L46 HydrophobicContact CE1-CG 3.9Å; F6-L46 HydrophobicContact CZ-CB 4.12Å; F6-L46 HydrophobicContact CZ-CD2 4.01Å; F6-L46 HydrophobicContact CZ-CG 4.14Å; V29-L46 HydrophobicContact CG1-CD1 3.78Å; L34-L46 HydrophobicContact CD2-CD2 4.38Å; Y42-L46 HydrophobicContact CD1-CD2 4.25Å; S43-L46 WeakPolarHBondContact O-CB 3.4Å; S43-L46 PolarHBondContact O-N 3.22Å; T44-L46 PolarHBondContact O-N 2.83Å; L46-R49 PolarHBondContact O-N 3.44Å; L46-I50 HydrophobicContact CD1-CD1 4.44Å; L46-I50 HydrophobicContact CG-CD1 4.1Å; L46-I50 VanDerWaalsContact O-CG1 3.3Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 3.09Å |
| 47 | L | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 178.1 | -167.5 | 77.5 | 0 | 0 | 0 | 111.1 | M1 F6 L9 T44 R49 I50 I51 F69 F140 | M1-L47 HydrophobicContact CE-CD2 3.98Å; M1-L47 HydrophobicContact SD-CB 4.23Å; M1-L47 HydrophobicContact SD-CD2 3.44Å; M1-L47 WeakPolarHBondContact SD-CD2 3.47Å; M1-L47 HydrophobicContact SD-CG 4.4Å; F6-L47 HydrophobicContact CD1-CD1 3.82Å; F6-L47 HydrophobicContact CD2-CD1 4.02Å; F6-L47 HydrophobicContact CE1-CB 4.15Å; F6-L47 HydrophobicContact CE1-CD1 3.87Å; F6-L47 HydrophobicContact CE2-CB 4.01Å; F6-L47 HydrophobicContact CE2-CD1 4.03Å; F6-L47 HydrophobicContact CG-CD1 3.9Å; F6-L47 HydrophobicContact CZ-CB 3.65Å; F6-L47 HydrophobicContact CZ-CD1 3.97Å; F6-L47 HydrophobicContact CZ-CG 4.43Å; L9-L47 HydrophobicContact CB-CD1 4.41Å; L9-L47 HydrophobicContact CD2-CD1 3.51Å; L9-L47 HydrophobicContact CD2-CG 4.27Å; T44-L47 PolarHBondContact O-N 3.47Å; L47-R49 VanDerWaalsContact C-N 3.33Å; L47-R49 PolarHBondContact O-N 3.06Å; L47-I50 PolarHBondContact O-N 3.26Å; L47-I51 HydrophobicContact CD2-CD1 4.33Å; L47-I51 HydrophobicContact CG-CD1 4.08Å; L47-I51 WeakPolarHBondContact O-CG1 3.4Å; L47-I51 PolarHBondContact O-N 3.32Å; L47-F69 HydrophobicContact CD2-CE1 4.45Å; L47-F140 HydrophobicContact CD2-CE2 4.48Å; L47-F140 HydrophobicContact CD2-CZ 3.84Å |
| 48 | T | 90.2 | Very high | 87.5 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 14% | 0.135 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 177.7 | -49.1 | 0 | 0 | 0 | 0 | 110.9 | T44 I50 I51 S52 E139 | T44-T48 PolarHBondContact O-N 3.09Å; T44-T48 PolarHBondContact O-OG1 3.24Å; T48-I50 PolarHBondContact O-N 3.25Å; T48-I51 PolarHBondContact O-N 3.04Å; T48-S52 PolarHBondContact O-N 2.87Å; T48-S52 PolarHBondContact O-OG 3.46Å; T48-E139 HydrophobicContact CG2-CG 4.35Å |
| 49 | R | 90.5 | Very high | 87.6 | Confident | 144 Ų | 144 | 62 Ų | 62 | 54% | 0.543 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 177.1 | -74.8 | 178.7 | 70.6 | -162.1 | -1.8 | 113 | V29 R45 L46 L47 I51 S52 T53 | V29-R49 HydrophobicContact CG1-CB 3.69Å; V29-R49 HydrophobicContact CG2-CB 4.36Å; R45-R49 WeakPolarHBondContact O-CB 3.44Å; R45-R49 VanDerWaalsContact O-CG 3.24Å; R45-R49 WeakPolarHBondContact O-CG 3.25Å; R45-R49 PolarHBondContact O-N 3.06Å; L46-R49 PolarHBondContact O-N 3.44Å; L47-R49 VanDerWaalsContact C-N 3.33Å; L47-R49 PolarHBondContact O-N 3.06Å; R49-I51 VanDerWaalsContact C-N 3.34Å; R49-S52 PolarHBondContact O-N 2.98Å; R49-T53 PolarHBondContact O-N 3.47Å; R49-T53 PolarHBondContact O-OG1 3.22Å; R49-T53 VanDerWaalsContact O-OG1 3.07Å |
| 50 | I | 90.8 | Very high | 88 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 175.3 | -69.2 | 166 | 0 | 0 | 0 | 109.9 | F6 L9 W22 V26 V29 L46 L47 T48 T53 L54 | F6-I50 HydrophobicContact CD1-CD1 4.18Å; F6-I50 HydrophobicContact CE1-CD1 3.8Å; L9-I50 HydrophobicContact CD2-CG2 4.18Å; W22-I50 HydrophobicContact CH2-CG2 4.31Å; W22-I50 HydrophobicContact CZ3-CG2 3.93Å; V26-I50 HydrophobicContact CG2-CD1 4.35Å; V29-I50 HydrophobicContact CB-CG1 4.19Å; V29-I50 HydrophobicContact CG1-CG1 4.16Å; V29-I50 HydrophobicContact CG2-CG1 4.29Å; L46-I50 HydrophobicContact CD1-CD1 4.44Å; L46-I50 HydrophobicContact CG-CD1 4.1Å; L46-I50 VanDerWaalsContact O-CG1 3.3Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 3.09Å; L47-I50 PolarHBondContact O-N 3.26Å; T48-I50 PolarHBondContact O-N 3.25Å; I50-T53 PolarHBondContact O-N 2.93Å; I50-L54 HydrophobicContact CG2-CD1 3.9Å; I50-L54 HydrophobicContact CG2-CG 4.33Å; I50-L54 WeakPolarHBondContact O-CB 3.37Å; I50-L54 VanDerWaalsContact O-CG 3.28Å; I50-L54 WeakPolarHBondContact O-CG 3.26Å; I50-L54 PolarHBondContact O-N 3.42Å |
| 51 | I | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 178 | -67.6 | 171 | 0 | 0 | 0 | 111.3 | L9 L47 T48 R49 T53 L54 C55 E62 I65 Y66 | L9-I51 HydrophobicContact CD1-CD1 4.42Å; L9-I51 HydrophobicContact CD1-CG1 4.24Å; L9-I51 HydrophobicContact CD2-CD1 4.11Å; L9-I51 HydrophobicContact CD2-CG1 3.67Å; L47-I51 HydrophobicContact CD2-CD1 4.33Å; L47-I51 HydrophobicContact CG-CD1 4.08Å; L47-I51 WeakPolarHBondContact O-CG1 3.4Å; L47-I51 PolarHBondContact O-N 3.32Å; T48-I51 PolarHBondContact O-N 3.04Å; R49-I51 VanDerWaalsContact C-N 3.34Å; I51-T53 VanDerWaalsContact C-N 3.34Å; I51-T53 PolarHBondContact O-N 3.46Å; I51-L54 WeakPolarHBondContact O-CB 3.46Å; I51-L54 PolarHBondContact O-N 2.9Å; I51-C55 PolarHBondContact O-N 3.5Å; I51-E62 HydrophobicContact CG2-CG 4.46Å; I51-I65 HydrophobicContact CG2-CB 4.42Å; I51-I65 HydrophobicContact CG2-CG2 3.86Å; I51-Y66 HydrophobicContact CD1-CD1 4.22Å; I51-Y66 HydrophobicContact CD1-CE1 3.49Å; I51-Y66 VanDerWaalsContact CD1-CE1 3.49Å; I51-Y66 HydrophobicContact CD1-CE2 4.27Å; I51-Y66 HydrophobicContact CG2-CD2 4.28Å; I51-Y66 HydrophobicContact CG2-CE2 3.74Å |
| 52 | S | 91.1 | Very high | 88.5 | Confident | 41 Ų | 41 | 57.9 Ų | 57.9 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 175.1 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | T48 R49 C55 E56 E62 | T48-S52 PolarHBondContact O-N 2.87Å; T48-S52 PolarHBondContact O-OG 3.46Å; R49-S52 PolarHBondContact O-N 2.98Å; S52-C55 WeakPolarHBondContact O-CB 3.42Å; S52-C55 PolarHBondContact O-N 3.38Å; S52-E56 PolarHBondContact O-N 3.04Å; S52-E62 VanDerWaalsContact CA-OE1 3.28Å; S52-E62 WeakPolarHBondContact CA-OE1 3.07Å; S52-E62 VanDerWaalsContact CB-OE1 3.27Å; S52-E62 WeakPolarHBondContact CB-OE1 3.31Å; S52-E62 PolarHBondContact OG-OE1 3.33Å |
| 53 | T | 89.5 | Confident | 88.7 | Confident | 18 Ų | 18 | 62 Ų | 62 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69 | -36.3 | 174.9 | -58.4 | 0 | 0 | 0 | 0 | 112 | A25 I28 V29 R49 I50 I51 C55 E56 F57 | A25-T53 HydrophobicContact CB-CG2 4.29Å; I28-T53 HydrophobicContact CB-CG2 4.28Å; I28-T53 HydrophobicContact CD1-CG2 4.36Å; I28-T53 HydrophobicContact CG2-CG2 4.11Å; V29-T53 HydrophobicContact CG2-CG2 4.43Å; V29-T53 VanDerWaalsContact CG2-OG1 3.31Å; V29-T53 WeakPolarHBondContact CG2-OG1 3.39Å; R49-T53 PolarHBondContact O-N 3.47Å; R49-T53 PolarHBondContact O-OG1 3.22Å; R49-T53 VanDerWaalsContact O-OG1 3.07Å; I50-T53 PolarHBondContact O-N 2.93Å; I51-T53 VanDerWaalsContact C-N 3.34Å; I51-T53 PolarHBondContact O-N 3.46Å; T53-C55 VanDerWaalsContact C-N 3.31Å; T53-C55 PolarHBondContact O-N 3.06Å; T53-E56 PolarHBondContact O-N 3.17Å; T53-F57 HydrophobicContact CG2-CD2 3.88Å; T53-F57 HydrophobicContact CG2-CE2 3.58Å; T53-F57 WeakPolarHBondContact O-CD2 3.49Å; T53-F57 PolarHBondContact O-N 3.44Å; T53-F57 VanDerWaalsContact O-N 3.14Å |
| 54 | L | 90.1 | Very high | 89 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 172.2 | -72.9 | 168.7 | 0 | 0 | 0 | 111.7 | L9 V13 T21 A25 I50 I51 E56 F57 I58 | L9-L54 HydrophobicContact CD2-CD1 4.36Å; V13-L54 HydrophobicContact CG1-CD2 4.1Å; V13-L54 HydrophobicContact CG2-CD1 3.72Å; V13-L54 HydrophobicContact CG2-CD2 4.18Å; T21-L54 HydrophobicContact CG2-CD2 4.04Å; A25-L54 HydrophobicContact CB-CD2 3.61Å; A25-L54 HydrophobicContact CB-CG 3.89Å; I50-L54 HydrophobicContact CG2-CD1 3.9Å; I50-L54 HydrophobicContact CG2-CG 4.33Å; I50-L54 WeakPolarHBondContact O-CB 3.37Å; I50-L54 VanDerWaalsContact O-CG 3.28Å; I50-L54 WeakPolarHBondContact O-CG 3.26Å; I50-L54 PolarHBondContact O-N 3.42Å; I51-L54 WeakPolarHBondContact O-CB 3.46Å; I51-L54 PolarHBondContact O-N 2.9Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E56 PolarHBondContact O-N 2.81Å; L54-F57 PolarHBondContact O-N 3.43Å; L54-I58 HydrophobicContact CB-CD1 4.02Å; L54-I58 HydrophobicContact CD2-CD1 4.24Å; L54-I58 VanDerWaalsContact O-CB 3.31Å; L54-I58 WeakPolarHBondContact O-CB 3.4Å; L54-I58 WeakPolarHBondContact O-CD1 3.11Å; L54-I58 VanDerWaalsContact O-CG1 3.22Å; L54-I58 WeakPolarHBondContact O-CG1 3.29Å; L54-I58 PolarHBondContact O-N 2.85Å |
| 55 | C | 88.8 | Confident | 89.4 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 22% | 0.216 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 173.4 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | I51 S52 T53 F57 G59 L60 E62 I65 | I51-C55 PolarHBondContact O-N 3.5Å; S52-C55 WeakPolarHBondContact O-CB 3.42Å; S52-C55 PolarHBondContact O-N 3.38Å; T53-C55 VanDerWaalsContact C-N 3.31Å; T53-C55 PolarHBondContact O-N 3.06Å; C55-F57 VanDerWaalsContact C-N 3.35Å; C55-F57 PolarHBondContact O-N 3.36Å; C55-G59 WeakPolarHBondContact O-CA 3.33Å; C55-G59 PolarHBondContact O-N 3.24Å; C55-L60 PolarHBondContact SG-O 2.99Å; C55-E62 HydrophobicContact CB-CG 3.99Å; C55-I65 HydrophobicContact CB-CD1 3.9Å |
| 56 | E | 87.4 | Confident | 89.8 | Confident | 164 Ų | 164 | 50.2 Ų | 50.2 | 77% | 0.766 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.7 | -37.5 | 176.9 | -67.8 | 179 | 175.4 | 0 | 0 | 112.5 | S52 T53 L54 | S52-E56 PolarHBondContact O-N 3.04Å; T53-E56 PolarHBondContact O-N 3.17Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-E56 PolarHBondContact O-N 2.81Å |
| 57 | F | 85.5 | Confident | 90 | Very high | 104 Ų | 104 | 51.7 Ų | 51.7 | 46% | 0.456 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -76.1 | -42 | -180 | -78.3 | -54 | 0 | 0 | 0 | 114.2 | A24 A25 I28 T53 L54 C55 | A24-F57 HydrophobicContact CB-CE2 4.33Å; A24-F57 HydrophobicContact CB-CZ 4.27Å; A25-F57 HydrophobicContact CB-CD2 4.32Å; A25-F57 HydrophobicContact CB-CE2 4.32Å; I28-F57 HydrophobicContact CD1-CE1 4.47Å; I28-F57 HydrophobicContact CD1-CE2 3.75Å; I28-F57 HydrophobicContact CD1-CZ 3.36Å; T53-F57 HydrophobicContact CG2-CD2 3.88Å; T53-F57 HydrophobicContact CG2-CE2 3.58Å; T53-F57 WeakPolarHBondContact O-CD2 3.49Å; T53-F57 PolarHBondContact O-N 3.44Å; T53-F57 VanDerWaalsContact O-N 3.14Å; L54-F57 PolarHBondContact O-N 3.43Å; C55-F57 VanDerWaalsContact C-N 3.35Å; C55-F57 PolarHBondContact O-N 3.36Å |
| 58 | I | 87.7 | Confident | 90.2 | Very high | 40 Ų | 40 | 55.3 Ų | 55.3 | 21% | 0.205 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -87.5 | -26.7 | -172.7 | -58.3 | 163.7 | 0 | 0 | 0 | 110.7 | F17 T21 L54 L60 | F17-I58 HydrophobicContact CD1-CD1 4.45Å; F17-I58 HydrophobicContact CD1-CG1 4.26Å; F17-I58 HydrophobicContact CD1-CG2 3.99Å; F17-I58 HydrophobicContact CD2-CD1 3.73Å; F17-I58 HydrophobicContact CD2-CG1 4.36Å; F17-I58 HydrophobicContact CE1-CB 4.48Å; F17-I58 HydrophobicContact CE1-CD1 4.35Å; F17-I58 HydrophobicContact CE1-CG1 4.31Å; F17-I58 HydrophobicContact CE1-CG2 3.34Å; F17-I58 HydrophobicContact CE2-CD1 3.62Å; F17-I58 HydrophobicContact CE2-CG1 4.41Å; F17-I58 HydrophobicContact CE2-CG2 4.36Å; F17-I58 HydrophobicContact CG-CD1 4.16Å; F17-I58 HydrophobicContact CG-CG1 4.29Å; F17-I58 HydrophobicContact CZ-CD1 3.95Å; F17-I58 HydrophobicContact CZ-CG1 4.39Å; F17-I58 HydrophobicContact CZ-CG2 3.56Å; T21-I58 HydrophobicContact CG2-CG1 4.4Å; L54-I58 HydrophobicContact CB-CD1 4.02Å; L54-I58 HydrophobicContact CD2-CD1 4.24Å; L54-I58 VanDerWaalsContact O-CB 3.31Å; L54-I58 WeakPolarHBondContact O-CB 3.4Å; L54-I58 WeakPolarHBondContact O-CD1 3.11Å; L54-I58 VanDerWaalsContact O-CG1 3.22Å; L54-I58 WeakPolarHBondContact O-CG1 3.29Å; L54-I58 PolarHBondContact O-N 2.85Å; I58-L60 VanDerWaalsContact C-N 3.28Å; I58-L60 HydrophobicContact CG2-CB 4.27Å; I58-L60 HydrophobicContact CG2-CD1 3.73Å; I58-L60 HydrophobicContact CG2-CG 3.84Å; I58-L60 PolarHBondContact O-N 3.38Å |
| 59 | G | 86.5 | Confident | 90.4 | Very high | 65 Ų | 65 | 54.2 Ų | 54.2 | 67% | 0.67 | 28% | 0.281 | S | S | * | . | trans | 76.2 | 12.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | C55 | C55-G59 WeakPolarHBondContact O-CA 3.33Å; C55-G59 PolarHBondContact O-N 3.24Å | ||
| 60 | L | 88.4 | Confident | 90.6 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 35% | 0.351 | 26% | 0.255 | S | S | . | . | trans | -92.2 | 143.1 | 172.5 | -71.3 | 173.8 | 0 | 0 | 0 | 110.5 | F17 C55 I58 I65 | F17-L60 HydrophobicContact CZ-CD1 4.22Å; C55-L60 PolarHBondContact SG-O 2.99Å; I58-L60 VanDerWaalsContact C-N 3.28Å; I58-L60 HydrophobicContact CG2-CB 4.27Å; I58-L60 HydrophobicContact CG2-CD1 3.73Å; I58-L60 HydrophobicContact CG2-CG 3.84Å; I58-L60 PolarHBondContact O-N 3.38Å; L60-I65 HydrophobicContact CB-CD1 4.43Å; L60-I65 HydrophobicContact CB-CG1 4.16Å | ||
| 61 | P | 90.9 | Very high | 90.7 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | trans | -55 | 146.1 | 170.6 | -22.4 | 32 | 0 | 0 | 0 | 112.3 | E63 D64 I65 | P61-E63 PolarHBondContact O-N 3.27Å; P61-D64 WeakPolarHBondContact CD-OD2 3.39Å; P61-D64 WeakPolarHBondContact CG-OD2 3.16Å; P61-D64 PolarHBondContact O-N 2.77Å; P61-D64 VanDerWaalsContact O-N 3.07Å; P61-I65 PolarHBondContact O-N 3.22Å | ||
| 62 | E | 89.4 | Confident | 90.8 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -54.9 | -38.1 | 176.3 | -80.4 | -171.2 | 151.7 | 0 | 0 | 112.4 | I51 S52 C55 D64 I65 Y66 | I51-E62 HydrophobicContact CG2-CG 4.46Å; S52-E62 VanDerWaalsContact CA-OE1 3.28Å; S52-E62 WeakPolarHBondContact CA-OE1 3.07Å; S52-E62 VanDerWaalsContact CB-OE1 3.27Å; S52-E62 WeakPolarHBondContact CB-OE1 3.31Å; S52-E62 PolarHBondContact OG-OE1 3.33Å; C55-E62 HydrophobicContact CB-CG 3.99Å; E62-D64 VanDerWaalsContact C-N 3.27Å; E62-D64 PolarHBondContact O-N 2.84Å; E62-I65 PolarHBondContact O-N 3.08Å; E62-Y66 HydrophobicContact CB-CD2 4.46Å; E62-Y66 WeakPolarHBondContact O-CD2 3.42Å; E62-Y66 PolarHBondContact O-N 3.42Å |
| 63 | E | 90.9 | Very high | 90.8 | Very high | 113 Ų | 113 | 49.7 Ų | 49.7 | 53% | 0.528 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.6 | -40 | 178.8 | -65.4 | -174.8 | -170.2 | 0 | 0 | 112.4 | P61 Y67 H142 | P61-E63 PolarHBondContact O-N 3.27Å; E63-Y67 VanDerWaalsContact O-CB 3.31Å; E63-Y67 WeakPolarHBondContact O-CB 3.33Å; E63-Y67 PolarHBondContact O-N 3.43Å; E63-H142 IonicContact OE1-NE2 3.77Å; E63-H142 IonicContact OE2-CE1 3.49Å; E63-H142 PolarHBondContact OE2-CE1 2.6Å; E63-H142 IonicContact OE2-ND1 3.96Å; E63-H142 IonicContact OE2-NE2 2.88Å |
| 64 | D | 91.5 | Very high | 91 | Very high | 77 Ų | 77 | 49 Ų | 49 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.4 | -38.1 | -179.9 | -67.1 | -23.5 | 0 | 0 | 0 | 110.8 | P61 E62 Y67 E68 | P61-D64 WeakPolarHBondContact CD-OD2 3.39Å; P61-D64 WeakPolarHBondContact CG-OD2 3.16Å; P61-D64 PolarHBondContact O-N 2.77Å; P61-D64 VanDerWaalsContact O-N 3.07Å; E62-D64 VanDerWaalsContact C-N 3.27Å; E62-D64 PolarHBondContact O-N 2.84Å; D64-Y67 WeakPolarHBondContact O-CB 3.43Å; D64-Y67 PolarHBondContact O-N 2.97Å; D64-E68 PolarHBondContact O-N 3.4Å |
| 65 | I | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 173.4 | -65.8 | 168.9 | 0 | 0 | 0 | 110.6 | Y12 I51 C55 L60 P61 E62 Y67 F69 | Y12-I65 HydrophobicContact CE1-CG2 4.34Å; I51-I65 HydrophobicContact CG2-CB 4.42Å; I51-I65 HydrophobicContact CG2-CG2 3.86Å; C55-I65 HydrophobicContact CB-CD1 3.9Å; L60-I65 HydrophobicContact CB-CD1 4.43Å; L60-I65 HydrophobicContact CB-CG1 4.16Å; P61-I65 PolarHBondContact O-N 3.22Å; E62-I65 PolarHBondContact O-N 3.08Å; I65-Y67 VanDerWaalsContact C-N 3.31Å; I65-Y67 PolarHBondContact O-N 3.38Å; I65-F69 WeakPolarHBondContact O-CB 3.4Å; I65-F69 PolarHBondContact O-N 3.19Å |
| 66 | Y | 94.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 175.5 | -83.5 | -72.9 | 0 | 0 | 0 | 112.2 | I51 E62 F69 G70 E139 F140 Y143 | I51-Y66 HydrophobicContact CD1-CD1 4.22Å; I51-Y66 HydrophobicContact CD1-CE1 3.49Å; I51-Y66 VanDerWaalsContact CD1-CE1 3.49Å; I51-Y66 HydrophobicContact CD1-CE2 4.27Å; I51-Y66 HydrophobicContact CG2-CD2 4.28Å; I51-Y66 HydrophobicContact CG2-CE2 3.74Å; E62-Y66 HydrophobicContact CB-CD2 4.46Å; E62-Y66 WeakPolarHBondContact O-CD2 3.42Å; E62-Y66 PolarHBondContact O-N 3.42Å; Y66-F69 HydrophobicContact CD1-CD1 4.3Å; Y66-G70 PolarHBondContact O-N 3Å; Y66-E139 HydrophobicContact CD2-CB 4.08Å; Y66-E139 HydrophobicContact CE1-CB 4.21Å; Y66-E139 HydrophobicContact CE2-CB 3.41Å; Y66-E139 VanDerWaalsContact CE2-CB 3.41Å; Y66-E139 HydrophobicContact CE2-CG 4.22Å; Y66-E139 VanDerWaalsContact CZ-CB 3.47Å; Y66-F140 AromaticContact CE1-CD2 3.96Å; Y66-F140 HydrophobicContact CE1-CD2 3.96Å; Y66-F140 AromaticContact CE1-CE2 3.78Å; Y66-F140 HydrophobicContact CE1-CE2 3.78Å; Y66-F140 HydrophobicContact CE1-CZ 4.27Å; Y66-Y143 VanDerWaalsContact O-CA 3.31Å; Y66-Y143 WeakPolarHBondContact O-CA 3.24Å |
| 67 | Y | 94.5 | Very high | 91.1 | Very high | 60 Ų | 60 | 44.8 Ų | 44.8 | 24% | 0.235 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.8 | -53.5 | 177 | -170.3 | -89 | 0 | 0 | 0 | 111 | E63 D64 I65 F69 G70 I71 S146 I149 | E63-Y67 VanDerWaalsContact O-CB 3.31Å; E63-Y67 WeakPolarHBondContact O-CB 3.33Å; E63-Y67 PolarHBondContact O-N 3.43Å; D64-Y67 WeakPolarHBondContact O-CB 3.43Å; D64-Y67 PolarHBondContact O-N 2.97Å; I65-Y67 VanDerWaalsContact C-N 3.31Å; I65-Y67 PolarHBondContact O-N 3.38Å; Y67-F69 VanDerWaalsContact C-N 3.35Å; Y67-F69 PolarHBondContact O-N 2.93Å; Y67-G70 PolarHBondContact O-N 2.67Å; Y67-G70 VanDerWaalsContact O-N 3.13Å; Y67-I71 HydrophobicContact CD1-CD1 4.17Å; Y67-I71 HydrophobicContact CE1-CD1 3.82Å; Y67-I71 PolarHBondContact O-N 3.3Å; Y67-S146 WeakPolarHBondContact O-CB 3.23Å; Y67-S146 PolarHBondContact O-OG 3.38Å; Y67-I149 HydrophobicContact CE2-CD1 4.43Å |
| 68 | E | 93.2 | Very high | 91.2 | Very high | 76 Ų | 76 | 40.4 Ų | 40.4 | 36% | 0.355 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 177.3 | -71 | -56.6 | 138.4 | 0 | 0 | 112.3 | Y12 D64 G70 I71 K72 | Y12-E68 HydrophobicContact CE2-CB 3.93Å; D64-E68 PolarHBondContact O-N 3.4Å; E68-G70 PolarHBondContact O-N 3.47Å; E68-I71 PolarHBondContact O-N 2.94Å; E68-I71 VanDerWaalsContact O-N 3.1Å; E68-K72 PolarHBondContact O-N 3.2Å |
| 69 | F | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57 | -38.1 | 173.6 | 175.2 | -139.1 | 0 | 0 | 0 | 112 | L5 I8 L9 L47 I65 Y66 Y67 S73 F140 Y143 | L5-F69 HydrophobicContact CB-CZ 4.37Å; L5-F69 HydrophobicContact CD2-CZ 3.96Å; L5-F69 WeakPolarHBondContact O-CZ 3.22Å; I8-F69 HydrophobicContact CB-CE2 3.94Å; I8-F69 HydrophobicContact CG2-CD2 4.08Å; I8-F69 HydrophobicContact CG2-CE2 3.59Å; L9-F69 HydrophobicContact CB-CD2 4.24Å; L9-F69 HydrophobicContact CB-CE2 3.79Å; L9-F69 HydrophobicContact CB-CZ 4.2Å; L9-F69 HydrophobicContact CD1-CB 4.45Å; L9-F69 HydrophobicContact CD1-CD1 4.46Å; L9-F69 HydrophobicContact CD1-CD2 3.9Å; L9-F69 HydrophobicContact CD1-CE2 4.24Å; L9-F69 HydrophobicContact CD1-CG 4.04Å; L47-F69 HydrophobicContact CD2-CE1 4.45Å; I65-F69 WeakPolarHBondContact O-CB 3.4Å; I65-F69 PolarHBondContact O-N 3.19Å; Y66-F69 HydrophobicContact CD1-CD1 4.3Å; Y67-F69 VanDerWaalsContact C-N 3.35Å; Y67-F69 PolarHBondContact O-N 2.93Å; F69-S73 WeakPolarHBondContact O-CB 3.28Å; F69-S73 PolarHBondContact O-N 3.46Å; F69-S73 PolarHBondContact O-OG 3.41Å; F69-F140 HydrophobicContact CE1-CE1 4.43Å; F69-Y143 HydrophobicContact CB-CD2 4.4Å; F69-Y143 AromaticContact CD1-CD2 3.35Å; F69-Y143 HydrophobicContact CD1-CD2 3.35Å; F69-Y143 AromaticContact CD1-CE2 3.48Å; F69-Y143 HydrophobicContact CD1-CE2 3.48Å; F69-Y143 VanDerWaalsContact CD1-CE2 3.48Å; F69-Y143 HydrophobicContact CD1-CG 4.49Å; F69-Y143 HydrophobicContact CD2-CE2 4.3Å; F69-Y143 AromaticContact CE1-CD2 3.7Å; F69-Y143 HydrophobicContact CE1-CD2 3.7Å; F69-Y143 AromaticContact CE1-CE2 3.47Å; F69-Y143 HydrophobicContact CE1-CE2 3.47Å; F69-Y143 VanDerWaalsContact CE1-CE2 3.47Å; F69-Y143 HydrophobicContact CE2-CE2 4.29Å; F69-Y143 AromaticContact CG-CD2 3.94Å; F69-Y143 HydrophobicContact CG-CD2 3.94Å; F69-Y143 AromaticContact CG-CE2 3.9Å; F69-Y143 HydrophobicContact CG-CE2 3.9Å; F69-Y143 AromaticContact CZ-CE2 3.89Å; F69-Y143 HydrophobicContact CZ-CE2 3.89Å |
| 70 | G | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.7 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y66 Y67 E68 S73 V74 S146 Q147 | Y66-G70 PolarHBondContact O-N 3Å; Y67-G70 PolarHBondContact O-N 2.67Å; Y67-G70 VanDerWaalsContact O-N 3.13Å; E68-G70 PolarHBondContact O-N 3.47Å; G70-S73 WeakPolarHBondContact O-CB 3.31Å; G70-S73 PolarHBondContact O-N 2.83Å; G70-V74 PolarHBondContact O-N 2.87Å; G70-S146 VanDerWaalsContact CA-OG 3.27Å; G70-S146 WeakPolarHBondContact CA-OG 3.32Å; G70-Q147 WeakPolarHBondContact O-CG 3.47Å |
| 71 | I | 94 | Very high | 90.8 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 15% | 0.149 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -53.1 | 174.6 | -60.8 | 178.9 | 0 | 0 | 0 | 109.8 | Y67 E68 S73 V74 D75 Y150 | Y67-I71 HydrophobicContact CD1-CD1 4.17Å; Y67-I71 HydrophobicContact CE1-CD1 3.82Å; Y67-I71 PolarHBondContact O-N 3.3Å; E68-I71 PolarHBondContact O-N 2.94Å; E68-I71 VanDerWaalsContact O-N 3.1Å; I71-S73 PolarHBondContact O-N 3.01Å; I71-V74 WeakPolarHBondContact O-CB 3.48Å; I71-V74 PolarHBondContact O-N 3.18Å; I71-D75 PolarHBondContact O-N 2.78Å; I71-D75 VanDerWaalsContact O-N 3.16Å; I71-Y150 HydrophobicContact CG2-CD1 4.08Å; I71-Y150 HydrophobicContact CG2-CD2 4Å; I71-Y150 HydrophobicContact CG2-CE1 4.03Å; I71-Y150 HydrophobicContact CG2-CE2 3.98Å; I71-Y150 HydrophobicContact CG2-CG 4.05Å |
| 72 | K | 92.6 | Very high | 90.4 | Very high | 62 Ų | 62 | 44.2 Ų | 44.2 | 27% | 0.27 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.2 | -27.2 | 179.4 | -66.1 | -57.7 | -177.6 | -172.9 | 0 | 113.5 | Y12 E68 V74 D75 Y76 | Y12-K72 HydrophobicContact CD2-CB 4.5Å; Y12-K72 HydrophobicContact CD2-CG 3.72Å; Y12-K72 HydrophobicContact CG-CG 4.25Å; E68-K72 PolarHBondContact O-N 3.2Å; K72-V74 VanDerWaalsContact C-N 3.34Å; K72-D75 IonicContact NZ-OD2 3.52Å; K72-D75 PolarHBondContact O-N 3.47Å; K72-Y76 VanDerWaalsContact O-CB 3.23Å; K72-Y76 WeakPolarHBondContact O-CB 3.47Å; K72-Y76 PolarHBondContact O-N 2.95Å |
| 73 | S | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 170.8 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | I8 F69 G70 I71 L77 Y143 | I8-S73 WeakPolarHBondContact CG2-OG 3.48Å; F69-S73 WeakPolarHBondContact O-CB 3.28Å; F69-S73 PolarHBondContact O-N 3.46Å; F69-S73 PolarHBondContact O-OG 3.41Å; G70-S73 WeakPolarHBondContact O-CB 3.31Å; G70-S73 PolarHBondContact O-N 2.83Å; I71-S73 PolarHBondContact O-N 3.01Å; S73-L77 VanDerWaalsContact O-CB 3.24Å; S73-L77 WeakPolarHBondContact O-CB 3.4Å; S73-L77 WeakPolarHBondContact O-CD1 3.31Å; S73-L77 WeakPolarHBondContact O-CG 3.44Å; S73-L77 PolarHBondContact O-N 3.39Å; S73-Y143 VanDerWaalsContact CB-OH 3.26Å; S73-Y143 WeakPolarHBondContact CB-OH 3.41Å; S73-Y143 WeakPolarHBondContact OG-CE2 3.21Å; S73-Y143 PolarHBondContact OG-OH 3.08Å |
| 74 | V | 92.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.6 | -42.3 | 178.1 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | G70 I71 K72 L77 S78 Q147 Y150 I151 L154 | G70-V74 PolarHBondContact O-N 2.87Å; I71-V74 WeakPolarHBondContact O-CB 3.48Å; I71-V74 PolarHBondContact O-N 3.18Å; K72-V74 VanDerWaalsContact C-N 3.34Å; V74-L77 PolarHBondContact O-N 2.83Å; V74-S78 WeakPolarHBondContact O-CB 3.46Å; V74-S78 PolarHBondContact O-N 2.82Å; V74-S78 PolarHBondContact O-OG 2.78Å; V74-Q147 HydrophobicContact CG2-CB 4.24Å; V74-Q147 HydrophobicContact CG2-CG 3.88Å; V74-Y150 HydrophobicContact CB-CD1 3.67Å; V74-Y150 HydrophobicContact CB-CE1 3.97Å; V74-Y150 HydrophobicContact CG1-CD1 3.75Å; V74-Y150 HydrophobicContact CG1-CE1 3.94Å; V74-Y150 HydrophobicContact CG2-CD1 4.15Å; V74-I151 HydrophobicContact CG1-CG1 3.97Å; V74-I151 HydrophobicContact CG2-CD1 4.14Å; V74-I151 HydrophobicContact CG2-CG1 3.95Å; V74-L154 HydrophobicContact CG1-CD2 4.31Å |
| 75 | D | 91.5 | Very high | 89.5 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.5 | -54.2 | 174.8 | -69 | -21.1 | 0 | 0 | 0 | 110.5 | I71 K72 L77 S78 D79 Y150 | I71-D75 PolarHBondContact O-N 2.78Å; I71-D75 VanDerWaalsContact O-N 3.16Å; K72-D75 IonicContact NZ-OD2 3.52Å; K72-D75 PolarHBondContact O-N 3.47Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact O-N 3.16Å; D75-S78 WeakPolarHBondContact O-CA 3.41Å; D75-S78 WeakPolarHBondContact O-CB 3.33Å; D75-S78 PolarHBondContact O-N 2.9Å; D75-D79 PolarHBondContact O-N 3.47Å; D75-Y150 WeakPolarHBondContact OD1-CE1 3.04Å; D75-Y150 VanDerWaalsContact OD1-CZ 3.26Å; D75-Y150 PolarHBondContact OD1-OH 3.31Å |
| 76 | Y | 89.9 | Confident | 89.2 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 14% | 0.141 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.3 | -42.9 | -179.7 | -175.4 | -84.6 | 0 | 0 | 0 | 112.4 | L4 E7 I8 N11 K72 S78 D79 N80 | L4-Y76 HydrophobicContact CD1-CE1 3.95Å; E7-Y76 WeakPolarHBondContact CG-OH 3.36Å; I8-Y76 HydrophobicContact CD1-CD1 3.99Å; I8-Y76 HydrophobicContact CD1-CE1 4.47Å; I8-Y76 HydrophobicContact CG1-CD1 3.36Å; I8-Y76 HydrophobicContact CG1-CD2 4.41Å; I8-Y76 HydrophobicContact CG1-CE1 3.74Å; I8-Y76 HydrophobicContact CG1-CG 3.73Å; N11-Y76 HydrophobicContact CB-CD2 4.25Å; N11-Y76 HydrophobicContact CB-CE2 4.34Å; K72-Y76 VanDerWaalsContact O-CB 3.23Å; K72-Y76 WeakPolarHBondContact O-CB 3.47Å; K72-Y76 PolarHBondContact O-N 2.95Å; Y76-S78 VanDerWaalsContact C-N 3.33Å; Y76-D79 PolarHBondContact O-N 3.01Å; Y76-N80 VanDerWaalsContact CD1-ND2 3.28Å; Y76-N80 WeakPolarHBondContact CD1-ND2 3.42Å; Y76-N80 HydrophobicContact CE1-CB 4.49Å; Y76-N80 WeakPolarHBondContact CE1-ND2 3.4Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.35Å; Y76-N80 WeakPolarHBondContact O-CB 3.36Å; Y76-N80 PolarHBondContact O-N 3.15Å; Y76-N80 PolarHBondContact O-ND2 2.81Å |
| 77 | L | 88.2 | Confident | 88.7 | Confident | 37 Ų | 37 | 46.5 Ų | 46.5 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67 | -37.3 | 177.2 | -72.3 | 172.2 | 0 | 0 | 0 | 111.3 | L4 S73 V74 D75 N80 F82 | L4-L77 HydrophobicContact CD2-CD2 4.36Å; S73-L77 VanDerWaalsContact O-CB 3.24Å; S73-L77 WeakPolarHBondContact O-CB 3.4Å; S73-L77 WeakPolarHBondContact O-CD1 3.31Å; S73-L77 WeakPolarHBondContact O-CG 3.44Å; S73-L77 PolarHBondContact O-N 3.39Å; V74-L77 PolarHBondContact O-N 2.83Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact O-N 3.16Å; L77-N80 PolarHBondContact O-N 2.94Å; L77-F82 HydrophobicContact CB-CB 4.2Å; L77-F82 HydrophobicContact CB-CD2 4.43Å; L77-F82 HydrophobicContact CD2-CD2 3.72Å; L77-F82 HydrophobicContact CD2-CE2 4.07Å; L77-F82 HydrophobicContact CD2-CG 4.29Å; L77-F82 WeakPolarHBondContact O-CA 3.38Å; L77-F82 VanDerWaalsContact O-CB 3.25Å; L77-F82 WeakPolarHBondContact O-CB 3.49Å; L77-F82 PolarHBondContact O-N 3.27Å |
| 78 | S | 87 | Confident | 88.3 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -61.4 | -49.3 | 175.6 | -58.7 | 0 | 0 | 0 | 0 | 111 | V74 D75 Y76 N80 G81 Y155 | V74-S78 WeakPolarHBondContact O-CB 3.46Å; V74-S78 PolarHBondContact O-N 2.82Å; V74-S78 PolarHBondContact O-OG 2.78Å; D75-S78 WeakPolarHBondContact O-CA 3.41Å; D75-S78 WeakPolarHBondContact O-CB 3.33Å; D75-S78 PolarHBondContact O-N 2.9Å; Y76-S78 VanDerWaalsContact C-N 3.33Å; S78-N80 VanDerWaalsContact C-N 3.31Å; S78-N80 PolarHBondContact O-N 2.71Å; S78-G81 PolarHBondContact O-N 3Å; S78-Y155 PolarHBondContact OG-OH 2.84Å |
| 79 | D | 86.4 | Confident | 87.9 | Confident | 134 Ų | 134 | 47 Ų | 47 | 72% | 0.717 | 27% | 0.266 | S | S | * | . | I | π-helix | trans | -67.9 | -30.4 | -177.7 | -65.4 | -19.1 | 0 | 0 | 0 | 112.5 | D75 Y76 G81 | D75-D79 PolarHBondContact O-N 3.47Å; Y76-D79 PolarHBondContact O-N 3.01Å; D79-G81 VanDerWaalsContact C-N 3.27Å; D79-G81 PolarHBondContact O-N 2.79Å |
| 80 | N | 85 | Confident | 87.3 | Confident | 87 Ų | 87 | 47.6 Ų | 47.6 | 47% | 0.465 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -90.6 | 26.3 | 177.4 | -70.4 | -73.4 | 0 | 0 | 0 | 113.7 | Y76 L77 S78 | Y76-N80 VanDerWaalsContact CD1-ND2 3.28Å; Y76-N80 WeakPolarHBondContact CD1-ND2 3.42Å; Y76-N80 HydrophobicContact CE1-CB 4.49Å; Y76-N80 WeakPolarHBondContact CE1-ND2 3.4Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.35Å; Y76-N80 WeakPolarHBondContact O-CB 3.36Å; Y76-N80 PolarHBondContact O-N 3.15Å; Y76-N80 PolarHBondContact O-ND2 2.81Å; L77-N80 PolarHBondContact O-N 2.94Å; S78-N80 VanDerWaalsContact C-N 3.31Å; S78-N80 PolarHBondContact O-N 2.71Å |
| 81 | G | 83 | Confident | 86.8 | Confident | 57 Ų | 57 | 57.1 Ų | 57.1 | 59% | 0.588 | 31% | 0.313 | S | S | * | . | I | π-helix | trans | 87.4 | 2.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | S78 D79 Q83 | S78-G81 PolarHBondContact O-N 3Å; D79-G81 VanDerWaalsContact C-N 3.27Å; D79-G81 PolarHBondContact O-N 2.79Å; G81-Q83 VanDerWaalsContact C-N 3.32Å |
| 82 | F | 83.3 | Confident | 86.4 | Confident | 44 Ų | 44 | 57 Ų | 57 | 19% | 0.193 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -86.4 | -0.6 | 173.7 | -62.7 | -86.9 | 0 | 0 | 0 | 113.4 | L77 S84 S85 L86 L107 | L77-F82 HydrophobicContact CB-CB 4.2Å; L77-F82 HydrophobicContact CB-CD2 4.43Å; L77-F82 HydrophobicContact CD2-CD2 3.72Å; L77-F82 HydrophobicContact CD2-CE2 4.07Å; L77-F82 HydrophobicContact CD2-CG 4.29Å; L77-F82 WeakPolarHBondContact O-CA 3.38Å; L77-F82 VanDerWaalsContact O-CB 3.25Å; L77-F82 WeakPolarHBondContact O-CB 3.49Å; L77-F82 PolarHBondContact O-N 3.27Å; F82-S84 PolarHBondContact O-N 2.75Å; F82-S85 WeakPolarHBondContact O-CB 3.36Å; F82-S85 PolarHBondContact O-N 2.95Å; F82-S85 VanDerWaalsContact O-N 3.16Å; F82-L86 PolarHBondContact O-N 3.48Å; F82-L107 HydrophobicContact CD1-CD2 4.36Å; F82-L107 HydrophobicContact CE1-CD2 3.66Å; F82-L107 HydrophobicContact CZ-CD2 4.25Å |
| 83 | Q | 85.2 | Confident | 86.2 | Confident | 86 Ų | 86 | 54.2 Ų | 54.2 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -54.8 | -49.2 | 178.4 | -177.7 | 179.6 | -21.6 | 0 | 0 | 111.9 | G81 S85 L86 Q87 Y155 | G81-Q83 VanDerWaalsContact C-N 3.32Å; Q83-S85 VanDerWaalsContact C-N 3.31Å; Q83-S85 PolarHBondContact O-N 3.17Å; Q83-L86 PolarHBondContact O-N 3.02Å; Q83-Q87 WeakPolarHBondContact O-CG 3.21Å; Q83-Q87 PolarHBondContact O-N 2.81Å; Q83-Q87 VanDerWaalsContact O-N 3.1Å; Q83-Y155 HydrophobicContact CG-CE1 4.28Å |
| 84 | S | 84.5 | Confident | 86 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 179.2 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | F82 L86 Q87 V88 | F82-S84 PolarHBondContact O-N 2.75Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3Å; S84-Q87 PolarHBondContact O-N 3Å; S84-V88 WeakPolarHBondContact O-CB 3.4Å; S84-V88 WeakPolarHBondContact O-CG2 3.39Å; S84-V88 PolarHBondContact O-N 3.1Å |
| 85 | S | 83 | Confident | 85.6 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 26% | 0.259 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.2 | -54.8 | 0 | 0 | 0 | 0 | 112 | F82 Q83 L89 | F82-S85 WeakPolarHBondContact O-CB 3.36Å; F82-S85 PolarHBondContact O-N 2.95Å; F82-S85 VanDerWaalsContact O-N 3.16Å; Q83-S85 VanDerWaalsContact C-N 3.31Å; Q83-S85 PolarHBondContact O-N 3.17Å; S85-L89 WeakPolarHBondContact O-CG 3.2Å |
| 86 | L | 84.5 | Confident | 85.5 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.9 | -36.5 | 178.1 | -71.8 | 169.9 | 0 | 0 | 0 | 112.9 | F82 Q83 S84 L89 L103 Y155 | F82-L86 PolarHBondContact O-N 3.48Å; Q83-L86 PolarHBondContact O-N 3.02Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3Å; L86-L89 HydrophobicContact CD2-CD1 4.46Å; L86-L103 HydrophobicContact CD2-CD2 3.7Å; L86-Y155 HydrophobicContact CB-CD2 4.43Å; L86-Y155 HydrophobicContact CB-CE2 3.67Å; L86-Y155 HydrophobicContact CD1-CE2 4.07Å; L86-Y155 HydrophobicContact CG-CE2 4.48Å |
| 87 | Q | 84.6 | Confident | 85.5 | Confident | 91 Ų | 91 | 54 Ų | 54 | 43% | 0.425 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74.2 | -32.1 | -179.7 | -70.3 | -179.9 | -11.7 | 0 | 0 | 113.2 | Q83 S84 L89 Y155 | Q83-Q87 WeakPolarHBondContact O-CG 3.21Å; Q83-Q87 PolarHBondContact O-N 2.81Å; Q83-Q87 VanDerWaalsContact O-N 3.1Å; S84-Q87 PolarHBondContact O-N 3Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 3.31Å; Q87-Y155 HydrophobicContact CG-CD1 3.85Å; Q87-Y155 HydrophobicContact CG-CD2 4.47Å; Q87-Y155 HydrophobicContact CG-CE1 4.05Å; Q87-Y155 HydrophobicContact CG-CG 4.08Å |
| 88 | V | 85.7 | Confident | 85.4 | Confident | 124 Ų | 124 | 53.6 Ų | 53.6 | 75% | 0.752 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -77.3 | -15.9 | -176.7 | 172.1 | 0 | 0 | 0 | 0 | 112.8 | S84 G90 | S84-V88 WeakPolarHBondContact O-CB 3.4Å; S84-V88 WeakPolarHBondContact O-CG2 3.39Å; S84-V88 PolarHBondContact O-N 3.1Å; V88-G90 VanDerWaalsContact C-N 3.26Å; V88-G90 PolarHBondContact O-N 2.74Å |
| 89 | L | 84.6 | Confident | 85.3 | Confident | 23 Ų | 23 | 56 Ų | 56 | 12% | 0.12 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.7 | -176.3 | -73.5 | 166.8 | 0 | 0 | 0 | 114.3 | S85 L86 Q87 F96 N99 L103 | S85-L89 WeakPolarHBondContact O-CG 3.2Å; L86-L89 HydrophobicContact CD2-CD1 4.46Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 3.31Å; L89-F96 HydrophobicContact CB-CD2 3.87Å; L89-F96 HydrophobicContact CB-CE2 4.44Å; L89-F96 HydrophobicContact CD1-CD2 4.05Å; L89-F96 HydrophobicContact CD1-CE2 3.78Å; L89-N99 HydrophobicContact CB-CB 4.34Å; L89-N99 HydrophobicContact CD2-CB 4.21Å; L89-N99 VanDerWaalsContact O-CB 3.26Å; L89-N99 WeakPolarHBondContact O-CB 3.24Å; L89-N99 PolarHBondContact O-ND2 2.96Å; L89-L103 HydrophobicContact CD1-CB 3.88Å; L89-L103 HydrophobicContact CD1-CD1 4.3Å; L89-L103 HydrophobicContact CD1-CD2 4.01Å; L89-L103 HydrophobicContact CD1-CG 4.27Å; L89-L103 HydrophobicContact CD2-CB 4.03Å |
| 90 | G | 81.9 | Confident | 85.4 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | trans | -162 | 142.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V88 N92 | V88-G90 VanDerWaalsContact C-N 3.26Å; V88-G90 PolarHBondContact O-N 2.74Å; G90-N92 VanDerWaalsContact C-N 3.32Å | ||
| 91 | K | 82.7 | Confident | 85.3 | Confident | 199 Ų | 199 | 46.9 Ų | 46.9 | 87% | 0.865 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -68.5 | -37.9 | 174.2 | -66.3 | -179.7 | -178.4 | 176.9 | 0 | 110.8 | ||
| 92 | N | 85.9 | Confident | 85.2 | Confident | 26 Ų | 26 | 47 Ų | 47 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -121.6 | 172.8 | 172.1 | 65.3 | 43.7 | 0 | 0 | 0 | 110.7 | G90 I94 D95 F96 D194 | G90-N92 VanDerWaalsContact C-N 3.32Å; N92-I94 VanDerWaalsContact C-N 3.26Å; N92-I94 PolarHBondContact O-N 3.22Å; N92-I94 WeakPolarHBondContact OD1-CB 3.4Å; N92-I94 PolarHBondContact OD1-N 3.46Å; N92-D95 PolarHBondContact O-N 3.4Å; N92-D95 VanDerWaalsContact OD1-CG 3.27Å; N92-D95 PolarHBondContact OD1-N 3.05Å; N92-D95 PolarHBondContact OD1-OD1 3.2Å; N92-F96 PolarHBondContact O-N 3.4Å; N92-D194 WeakPolarHBondContact CB-OD2 3.5Å; N92-D194 PolarHBondContact ND2-OD2 2.83Å |
| 93 | Y | 89.5 | Confident | 85.2 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.8 | -28.9 | -177.4 | -175.9 | -112.5 | 0 | 0 | 0 | 113.1 | F96 L97 L148 A152 F156 L158 V160 L180 W187 | Y93-F96 HydrophobicContact CD2-CD1 4.07Å; Y93-F96 HydrophobicContact CE2-CD1 4.01Å; Y93-F96 HydrophobicContact CE2-CE1 4.33Å; Y93-F96 WeakPolarHBondContact O-CB 3.48Å; Y93-F96 PolarHBondContact O-N 3.03Å; Y93-L97 HydrophobicContact CD1-CD1 4.13Å; Y93-L97 HydrophobicContact CD1-CG 4.34Å; Y93-L97 HydrophobicContact CE1-CD1 3.76Å; Y93-L97 HydrophobicContact CE1-CD2 4.22Å; Y93-L97 HydrophobicContact CE1-CG 4.03Å; Y93-L97 HydrophobicContact CE2-CD2 4.36Å; Y93-L97 VanDerWaalsContact O-CG 3.31Å; Y93-L97 WeakPolarHBondContact O-CG 3.4Å; Y93-L97 PolarHBondContact O-N 3.06Å; Y93-L148 PolarHBondContact OH-O 3.16Å; Y93-L148 VanDerWaalsContact OH-O 3.09Å; Y93-A152 HydrophobicContact CD2-CB 3.93Å; Y93-A152 HydrophobicContact CE1-CB 4.45Å; Y93-A152 HydrophobicContact CE2-CB 3.54Å; Y93-F156 AromaticContact CD2-CD2 3.64Å; Y93-F156 HydrophobicContact CD2-CD2 3.64Å; Y93-F156 AromaticContact CD2-CE2 3.96Å; Y93-F156 HydrophobicContact CD2-CE2 3.96Å; Y93-F156 HydrophobicContact CD2-CG 4.29Å; Y93-F156 HydrophobicContact CG-CD2 4.39Å; Y93-L158 HydrophobicContact CD1-CD1 4.45Å; Y93-L158 HydrophobicContact CG-CD1 4.14Å; Y93-V160 HydrophobicContact CE1-CG2 4.36Å; Y93-L180 HydrophobicContact CE1-CD1 4.19Å; Y93-W187 AromaticContact CD1-CH2 3.57Å; Y93-W187 HydrophobicContact CD1-CH2 3.57Å; Y93-W187 AromaticContact CD1-CZ3 3.72Å; Y93-W187 HydrophobicContact CD1-CZ3 3.72Å; Y93-W187 AromaticContact CE1-CH2 3.9Å; Y93-W187 HydrophobicContact CE1-CH2 3.9Å; Y93-W187 HydrophobicContact CE1-CZ3 4.48Å |
| 94 | I | 87.1 | Confident | 85.1 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.3 | -45.5 | 179.6 | -65.6 | 173.1 | 0 | 0 | 0 | 110.2 | N92 F96 L97 H98 I124 I129 W187 L191 | N92-I94 VanDerWaalsContact C-N 3.26Å; N92-I94 PolarHBondContact O-N 3.22Å; N92-I94 WeakPolarHBondContact OD1-CB 3.4Å; N92-I94 PolarHBondContact OD1-N 3.46Å; I94-F96 VanDerWaalsContact C-N 3.26Å; I94-F96 PolarHBondContact O-N 3.11Å; I94-L97 WeakPolarHBondContact O-CB 3.49Å; I94-L97 PolarHBondContact O-N 3.04Å; I94-L97 VanDerWaalsContact O-N 3.11Å; I94-H98 PolarHBondContact O-CD2 3.32Å; I94-H98 PolarHBondContact O-N 3.46Å; I94-I124 HydrophobicContact CD1-CG2 4.33Å; I94-I124 HydrophobicContact CG2-CD1 3.58Å; I94-I129 HydrophobicContact CD1-CD1 4.3Å; I94-I129 HydrophobicContact CG1-CD1 3.84Å; I94-W187 HydrophobicContact CD1-CB 4.44Å; I94-W187 HydrophobicContact CD1-CE3 4.19Å; I94-W187 HydrophobicContact CG1-CE3 4.3Å; I94-L191 HydrophobicContact CD1-CD1 3.73Å; I94-L191 HydrophobicContact CD1-CD2 4.01Å; I94-L191 HydrophobicContact CD1-CG 3.76Å |
| 95 | D | 84.3 | Confident | 84.8 | Confident | 55 Ų | 55 | 42.2 Ų | 42.2 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.1 | -43.9 | 172.5 | -64.4 | -14.7 | 0 | 0 | 0 | 110.3 | N92 L97 H98 N99 | N92-D95 PolarHBondContact O-N 3.4Å; N92-D95 VanDerWaalsContact OD1-CG 3.27Å; N92-D95 PolarHBondContact OD1-N 3.05Å; N92-D95 PolarHBondContact OD1-OD1 3.2Å; D95-L97 PolarHBondContact O-N 3.22Å; D95-H98 PolarHBondContact O-N 3.43Å; D95-N99 WeakPolarHBondContact O-CB 3.22Å; D95-N99 PolarHBondContact O-N 3.01Å; D95-N99 PolarHBondContact O-ND2 3.45Å |
| 96 | F | 89.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.3 | -49.2 | 174.6 | 166.8 | -91.7 | 0 | 0 | 0 | 111.3 | L89 N92 Y93 I94 H98 N99 I100 I151 F156 | L89-F96 HydrophobicContact CB-CD2 3.87Å; L89-F96 HydrophobicContact CB-CE2 4.44Å; L89-F96 HydrophobicContact CD1-CD2 4.05Å; L89-F96 HydrophobicContact CD1-CE2 3.78Å; N92-F96 PolarHBondContact O-N 3.4Å; Y93-F96 HydrophobicContact CD2-CD1 4.07Å; Y93-F96 HydrophobicContact CE2-CD1 4.01Å; Y93-F96 HydrophobicContact CE2-CE1 4.33Å; Y93-F96 WeakPolarHBondContact O-CB 3.48Å; Y93-F96 PolarHBondContact O-N 3.03Å; I94-F96 VanDerWaalsContact C-N 3.26Å; I94-F96 PolarHBondContact O-N 3.11Å; F96-H98 VanDerWaalsContact C-N 3.29Å; F96-H98 PolarHBondContact O-N 2.86Å; F96-N99 PolarHBondContact O-N 2.99Å; F96-N99 VanDerWaalsContact O-N 3.13Å; F96-I100 HydrophobicContact CD1-CD1 4.1Å; F96-I100 HydrophobicContact CD1-CG1 4.22Å; F96-I100 HydrophobicContact CE1-CD1 3.44Å; F96-I100 VanDerWaalsContact CE1-CD1 3.44Å; F96-I100 HydrophobicContact CE1-CG1 3.83Å; F96-I100 HydrophobicContact CE2-CG1 4.45Å; F96-I100 HydrophobicContact CZ-CD1 3.83Å; F96-I100 HydrophobicContact CZ-CG1 3.92Å; F96-I100 WeakPolarHBondContact O-CG1 3.47Å; F96-I100 PolarHBondContact O-N 3.45Å; F96-I100 VanDerWaalsContact O-N 3.07Å; F96-I151 HydrophobicContact CD1-CG2 4.38Å; F96-I151 HydrophobicContact CE1-CD1 4.49Å; F96-I151 HydrophobicContact CE1-CG2 3.8Å; F96-I151 HydrophobicContact CE2-CG2 3.97Å; F96-I151 HydrophobicContact CZ-CD1 3.81Å; F96-I151 HydrophobicContact CZ-CG2 3.61Å; F96-F156 HydrophobicContact CB-CE2 3.91Å; F96-F156 HydrophobicContact CB-CZ 3.61Å; F96-F156 HydrophobicContact CD1-CE2 4.38Å; F96-F156 HydrophobicContact CD2-CE2 4.23Å; F96-F156 HydrophobicContact CD2-CZ 4.33Å; F96-F156 AromaticContact CG-CE2 3.91Å; F96-F156 HydrophobicContact CG-CE2 3.91Å; F96-F156 HydrophobicContact CG-CZ 4.05Å |
| 97 | L | 90 | Very high | 84.4 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60 | -37.3 | 179.2 | -70.7 | 179.7 | 0 | 0 | 0 | 112.8 | Y93 I94 D95 I100 V121 I129 L131 L148 L180 | Y93-L97 HydrophobicContact CD1-CD1 4.13Å; Y93-L97 HydrophobicContact CD1-CG 4.34Å; Y93-L97 HydrophobicContact CE1-CD1 3.76Å; Y93-L97 HydrophobicContact CE1-CD2 4.22Å; Y93-L97 HydrophobicContact CE1-CG 4.03Å; Y93-L97 HydrophobicContact CE2-CD2 4.36Å; Y93-L97 VanDerWaalsContact O-CG 3.31Å; Y93-L97 WeakPolarHBondContact O-CG 3.4Å; Y93-L97 PolarHBondContact O-N 3.06Å; I94-L97 WeakPolarHBondContact O-CB 3.49Å; I94-L97 PolarHBondContact O-N 3.04Å; I94-L97 VanDerWaalsContact O-N 3.11Å; D95-L97 PolarHBondContact O-N 3.22Å; L97-I100 HydrophobicContact CD2-CD1 3.98Å; L97-V121 HydrophobicContact CB-CG2 3.75Å; L97-V121 HydrophobicContact CD1-CG2 4.21Å; L97-I129 HydrophobicContact CD1-CD1 4.1Å; L97-I129 HydrophobicContact CD1-CG2 4.17Å; L97-L131 HydrophobicContact CD1-CD1 4.44Å; L97-L131 HydrophobicContact CD2-CD1 3.89Å; L97-L148 HydrophobicContact CD2-CD2 3.69Å; L97-L180 HydrophobicContact CD1-CD1 3.8Å; L97-L180 HydrophobicContact CD2-CD1 4.46Å |
| 98 | H | 84.9 | Confident | 84.1 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 13% | 0.134 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.6 | -36.8 | 176 | -77.1 | -64.4 | 0 | 0 | 0 | 112.2 | I94 D95 F96 F273 | I94-H98 PolarHBondContact O-CD2 3.32Å; I94-H98 PolarHBondContact O-N 3.46Å; D95-H98 PolarHBondContact O-N 3.43Å; F96-H98 VanDerWaalsContact C-N 3.29Å; F96-H98 PolarHBondContact O-N 2.86Å; H98-F273 HydrophobicContact CB-CB 4.25Å; H98-F273 AromaticContact CE1-CD2 3.41Å; H98-F273 VanDerWaalsContact CE1-CD2 3.41Å; H98-F273 WeakPolarHBondContact CE1-CD2 3.45Å; H98-F273 AromaticContact CE1-CE2 3.69Å; H98-F273 AromaticContact CE1-CG 3.78Å; H98-F273 AromaticContact ND1-CD2 3.5Å; H98-F273 AromaticContact ND1-CG 3.48Å; H98-F273 WeakPolarHBondContact ND1-CG 3.24Å |
| 99 | N | 85.4 | Confident | 83.6 | Confident | 60 Ų | 60 | 49.5 Ų | 49.5 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -91.7 | -2.4 | -173.5 | -66.4 | -25.9 | 0 | 0 | 0 | 114.6 | L89 D95 F96 N101 E102 L103 | L89-N99 HydrophobicContact CB-CB 4.34Å; L89-N99 HydrophobicContact CD2-CB 4.21Å; L89-N99 VanDerWaalsContact O-CB 3.26Å; L89-N99 WeakPolarHBondContact O-CB 3.24Å; L89-N99 PolarHBondContact O-ND2 2.96Å; D95-N99 WeakPolarHBondContact O-CB 3.22Å; D95-N99 PolarHBondContact O-N 3.01Å; D95-N99 PolarHBondContact O-ND2 3.45Å; F96-N99 PolarHBondContact O-N 2.99Å; F96-N99 VanDerWaalsContact O-N 3.13Å; N99-N101 PolarHBondContact O-N 3.07Å; N99-N101 VanDerWaalsContact O-N 3.16Å; N99-E102 WeakPolarHBondContact O-CB 3.46Å; N99-E102 PolarHBondContact O-N 3.37Å; N99-L103 PolarHBondContact O-N 3.28Å |
| 100 | I | 87.6 | Confident | 83.3 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.8 | -37.2 | -179.8 | -53.5 | -174.4 | 0 | 0 | 0 | 112.2 | F96 L97 E102 L103 H104 I119 L148 | F96-I100 HydrophobicContact CD1-CD1 4.1Å; F96-I100 HydrophobicContact CD1-CG1 4.22Å; F96-I100 HydrophobicContact CE1-CD1 3.44Å; F96-I100 VanDerWaalsContact CE1-CD1 3.44Å; F96-I100 HydrophobicContact CE1-CG1 3.83Å; F96-I100 HydrophobicContact CE2-CG1 4.45Å; F96-I100 HydrophobicContact CZ-CD1 3.83Å; F96-I100 HydrophobicContact CZ-CG1 3.92Å; F96-I100 WeakPolarHBondContact O-CG1 3.47Å; F96-I100 PolarHBondContact O-N 3.45Å; F96-I100 VanDerWaalsContact O-N 3.07Å; L97-I100 HydrophobicContact CD2-CD1 3.98Å; I100-E102 PolarHBondContact O-N 3.45Å; I100-L103 WeakPolarHBondContact O-CB 3.25Å; I100-L103 PolarHBondContact O-N 2.78Å; I100-H104 PolarHBondContact O-N 2.9Å; I100-I119 HydrophobicContact CB-CD1 4.31Å; I100-I119 HydrophobicContact CD1-CD1 4.17Å; I100-I119 HydrophobicContact CD1-CG2 4.29Å; I100-I119 HydrophobicContact CG2-CD1 3.65Å; I100-L148 HydrophobicContact CD1-CD2 4.19Å |
| 101 | N | 84 | Confident | 83.3 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 10% | 0.102 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -28.8 | 179.7 | -64.5 | -34.8 | 0 | 0 | 0 | 112.2 | N99 H104 E105 N118 I119 | N99-N101 PolarHBondContact O-N 3.07Å; N99-N101 VanDerWaalsContact O-N 3.16Å; N101-H104 WeakPolarHBondContact O-CB 3.43Å; N101-H104 PolarHBondContact O-N 3.24Å; N101-E105 PolarHBondContact O-N 2.85Å; N101-E105 VanDerWaalsContact O-N 3.12Å; N101-N118 PolarHBondContact ND2-OD1 2.81Å; N101-I119 PolarHBondContact ND2-O 3.24Å; N101-I119 PolarHBondContact OD1-N 3.09Å |
| 102 | E | 81.3 | Confident | 82.9 | Confident | 58 Ų | 58 | 46.7 Ų | 46.7 | 27% | 0.271 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69 | -35.1 | 175.8 | -59.5 | -56.4 | 150 | 0 | 0 | 111.8 | N99 I100 H104 E105 Y106 T275 | N99-E102 WeakPolarHBondContact O-CB 3.46Å; N99-E102 PolarHBondContact O-N 3.37Å; I100-E102 PolarHBondContact O-N 3.45Å; E102-H104 VanDerWaalsContact C-N 3.27Å; E102-H104 PolarHBondContact O-N 3.23Å; E102-E105 PolarHBondContact O-N 3.5Å; E102-E105 VanDerWaalsContact O-N 3.17Å; E102-Y106 PolarHBondContact O-N 3.35Å; E102-T275 WeakPolarHBondContact OE1-CB 3.14Å; E102-T275 PolarHBondContact OE1-N 2.81Å; E102-T275 PolarHBondContact OE1-OG1 2.78Å; E102-T275 PolarHBondContact OE2-OG1 2.8Å |
| 103 | L | 83.3 | Confident | 82.7 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 171.3 | -176.5 | 69.4 | 0 | 0 | 0 | 111.1 | L86 L89 N99 I100 E105 Y106 L107 | L86-L103 HydrophobicContact CD2-CD2 3.7Å; L89-L103 HydrophobicContact CD1-CB 3.88Å; L89-L103 HydrophobicContact CD1-CD1 4.3Å; L89-L103 HydrophobicContact CD1-CD2 4.01Å; L89-L103 HydrophobicContact CD1-CG 4.27Å; L89-L103 HydrophobicContact CD2-CB 4.03Å; N99-L103 PolarHBondContact O-N 3.28Å; I100-L103 WeakPolarHBondContact O-CB 3.25Å; I100-L103 PolarHBondContact O-N 2.78Å; L103-E105 VanDerWaalsContact C-N 3.31Å; L103-E105 PolarHBondContact O-N 2.83Å; L103-Y106 WeakPolarHBondContact O-CB 3.12Å; L103-Y106 PolarHBondContact O-N 3.31Å; L103-L107 WeakPolarHBondContact O-CG 2.96Å; L103-L107 PolarHBondContact O-N 3.14Å |
| 104 | H | 83.2 | Confident | 82.4 | Confident | 33 Ų | 33 | 54.7 Ų | 54.7 | 15% | 0.153 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.3 | -34.4 | 178.1 | -67.4 | 147.9 | 0 | 0 | 0 | 112.8 | I100 N101 E102 L107 H108 A116 P117 | I100-H104 PolarHBondContact O-N 2.9Å; N101-H104 WeakPolarHBondContact O-CB 3.43Å; N101-H104 PolarHBondContact O-N 3.24Å; E102-H104 VanDerWaalsContact C-N 3.27Å; E102-H104 PolarHBondContact O-N 3.23Å; H104-L107 PolarHBondContact O-N 3.24Å; H104-H108 PolarHBondContact O-N 3.23Å; H104-A116 HydrophobicContact CB-CB 3.53Å; H104-P117 PolarHBondContact ND1-O 3.47Å |
| 105 | E | 77.2 | Confident | 82.2 | Confident | 52 Ų | 52 | 61.2 Ų | 61.2 | 24% | 0.243 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 172.5 | -71.2 | -63.7 | 127.5 | 0 | 0 | 111.3 | N101 E102 L103 L107 H108 K258 K303 | N101-E105 PolarHBondContact O-N 2.85Å; N101-E105 VanDerWaalsContact O-N 3.12Å; E102-E105 PolarHBondContact O-N 3.5Å; E102-E105 VanDerWaalsContact O-N 3.17Å; L103-E105 VanDerWaalsContact C-N 3.31Å; L103-E105 PolarHBondContact O-N 2.83Å; E105-L107 VanDerWaalsContact C-N 3.31Å; E105-L107 PolarHBondContact O-N 3.2Å; E105-H108 WeakPolarHBondContact O-CB 3.32Å; E105-H108 PolarHBondContact O-N 3.4Å; E105-K258 IonicContact OE1-NZ 3.74Å; E105-K258 PolarHBondContact OE1-NZ 3.46Å; E105-K258 IonicContact OE2-NZ 2.83Å; E105-K258 PolarHBondContact OE2-NZ 3.13Å; E105-K303 IonicContact OE2-NZ 2.78Å |
| 106 | Y | 79 | Confident | 82.4 | Confident | 129 Ų | 129 | 60.7 Ų | 60.7 | 51% | 0.506 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 172.8 | -179.2 | -98.9 | 0 | 0 | 0 | 111.9 | E102 L103 H108 Y109 | E102-Y106 PolarHBondContact O-N 3.35Å; L103-Y106 WeakPolarHBondContact O-CB 3.12Å; L103-Y106 PolarHBondContact O-N 3.31Å; Y106-H108 PolarHBondContact O-N 2.96Å; Y106-H108 VanDerWaalsContact O-N 3.14Å; Y106-Y109 HydrophobicContact CD2-CD2 4.3Å; Y106-Y109 VanDerWaalsContact O-CD2 3.3Å; Y106-Y109 WeakPolarHBondContact O-CD2 3.25Å; Y106-Y109 PolarHBondContact O-N 2.84Å; Y106-Y109 VanDerWaalsContact O-N 3.15Å |
| 107 | L | 80.9 | Confident | 82.3 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -20 | 175.8 | -71.6 | 174.3 | 0 | 0 | 0 | 113.2 | F82 L103 H104 E105 Y109 S110 Y111 I114 | F82-L107 HydrophobicContact CD1-CD2 4.36Å; F82-L107 HydrophobicContact CE1-CD2 3.66Å; F82-L107 HydrophobicContact CZ-CD2 4.25Å; L103-L107 WeakPolarHBondContact O-CG 2.96Å; L103-L107 PolarHBondContact O-N 3.14Å; H104-L107 PolarHBondContact O-N 3.24Å; E105-L107 VanDerWaalsContact C-N 3.31Å; E105-L107 PolarHBondContact O-N 3.2Å; L107-Y109 PolarHBondContact O-N 3.37Å; L107-S110 PolarHBondContact O-N 2.81Å; L107-Y111 HydrophobicContact CD2-CD2 4.4Å; L107-Y111 HydrophobicContact CD2-CE2 4.47Å; L107-Y111 WeakPolarHBondContact O-CA 3.09Å; L107-Y111 WeakPolarHBondContact O-CB 3.45Å; L107-Y111 PolarHBondContact O-N 3.31Å; L107-I114 HydrophobicContact CB-CD1 4.09Å; L107-I114 HydrophobicContact CD1-CD1 4.4Å |
| 108 | H | 78.1 | Confident | 82.1 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 35% | 0.352 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -26.5 | 176.4 | -158.9 | 79 | 0 | 0 | 0 | 112.8 | H104 E105 Y106 Y111 P112 I114 | H104-H108 PolarHBondContact O-N 3.23Å; E105-H108 WeakPolarHBondContact O-CB 3.32Å; E105-H108 PolarHBondContact O-N 3.4Å; Y106-H108 PolarHBondContact O-N 2.96Å; Y106-H108 VanDerWaalsContact O-N 3.14Å; H108-Y111 CarbonylContact O-C 3.1Å; H108-Y111 VanDerWaalsContact O-C 3.28Å; H108-Y111 PolarHBondContact O-N 3.14Å; H108-P112 PolarHBondContact CE1-O 2.85Å; H108-P112 PolarHBondContact NE2-O 2.93Å; H108-P112 VanDerWaalsContact O-CA 3.23Å; H108-P112 WeakPolarHBondContact O-CA 3.15Å; H108-P112 VanDerWaalsContact O-N 3.17Å; H108-I114 HydrophobicContact CB-CG2 4.28Å |
| 109 | Y | 74.3 | Confident | 82.4 | Confident | 186 Ų | 186 | 62.6 Ų | 62.6 | 73% | 0.729 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.6 | -43.4 | 175.2 | -68.5 | -68.3 | 0 | 0 | 0 | 111.9 | Y106 L107 | Y106-Y109 HydrophobicContact CD2-CD2 4.3Å; Y106-Y109 VanDerWaalsContact O-CD2 3.3Å; Y106-Y109 WeakPolarHBondContact O-CD2 3.25Å; Y106-Y109 PolarHBondContact O-N 2.84Å; Y106-Y109 VanDerWaalsContact O-N 3.15Å; L107-Y109 PolarHBondContact O-N 3.37Å |
| 110 | S | 78 | Confident | 82.3 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -80.4 | -29.6 | 176.4 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | L107 | L107-S110 PolarHBondContact O-N 2.81Å |
| 111 | Y | 82.7 | Confident | 82.4 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 9% | 0.09 | 30% | 0.3 | C | S | . | . | trans | -130.8 | 75.4 | -173.5 | -60.2 | -71.1 | 0 | 0 | 0 | 111.8 | Y2 L4 N39 L107 H108 K113 I114 | Y2-Y111 AromaticContact CD1-CD1 3.51Å; Y2-Y111 HydrophobicContact CD1-CD1 3.51Å; Y2-Y111 HydrophobicContact CD1-CE1 4.08Å; Y2-Y111 AromaticContact CD2-CD1 3.92Å; Y2-Y111 HydrophobicContact CD2-CD1 3.92Å; Y2-Y111 HydrophobicContact CD2-CG 4.2Å; Y2-Y111 AromaticContact CE1-CD1 3.68Å; Y2-Y111 HydrophobicContact CE1-CD1 3.68Å; Y2-Y111 HydrophobicContact CE2-CD1 4.1Å; Y2-Y111 HydrophobicContact CE2-CG 4.25Å; Y2-Y111 AromaticContact CG-CD1 3.61Å; Y2-Y111 HydrophobicContact CG-CD1 3.61Å; Y2-Y111 HydrophobicContact CG-CE1 4.23Å; Y2-Y111 HydrophobicContact CG-CG 4.32Å; Y2-Y111 AromaticContact CZ-CD1 3.96Å; L4-Y111 HydrophobicContact CD2-CE2 4.2Å; N39-Y111 VanDerWaalsContact OD1-CE1 3.26Å; N39-Y111 WeakPolarHBondContact OD1-CE1 3.48Å; L107-Y111 HydrophobicContact CD2-CD2 4.4Å; L107-Y111 HydrophobicContact CD2-CE2 4.47Å; L107-Y111 WeakPolarHBondContact O-CA 3.09Å; L107-Y111 WeakPolarHBondContact O-CB 3.45Å; L107-Y111 PolarHBondContact O-N 3.31Å; H108-Y111 CarbonylContact O-C 3.1Å; H108-Y111 VanDerWaalsContact O-C 3.28Å; H108-Y111 PolarHBondContact O-N 3.14Å; Y111-K113 PolarHBondContact O-N 3.12Å; Y111-I114 VanDerWaalsContact O-CB 3.24Å; Y111-I114 WeakPolarHBondContact O-CB 3.14Å; Y111-I114 WeakPolarHBondContact O-CG2 3.49Å; Y111-I114 PolarHBondContact O-N 3.04Å | ||
| 112 | P | 75.1 | Confident | 82.4 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 53% | 0.532 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.2 | -170.9 | -26 | 34.6 | 0 | 0 | 0 | 116.1 | H108 | H108-P112 PolarHBondContact CE1-O 2.85Å; H108-P112 PolarHBondContact NE2-O 2.93Å; H108-P112 VanDerWaalsContact O-CA 3.23Å; H108-P112 WeakPolarHBondContact O-CA 3.15Å; H108-P112 VanDerWaalsContact O-N 3.17Å |
| 113 | K | 80.8 | Confident | 82.6 | Confident | 155 Ų | 155 | 62.6 Ų | 62.6 | 67% | 0.674 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 17.5 | 178.4 | -61.2 | -179.9 | -179.9 | 175.9 | 0 | 112 | Y2 Y111 K115 | Y2-K113 HydrophobicContact CE2-CB 4.36Å; Y2-K113 WeakPolarHBondContact OH-CB 3.22Å; Y2-K113 PolarHBondContact OH-N 2.85Å; Y111-K113 PolarHBondContact O-N 3.12Å; K113-K115 PolarHBondContact O-N 3.38Å |
| 114 | I | 83.9 | Confident | 82.7 | Confident | 43 Ų | 43 | 64 Ų | 64 | 22% | 0.221 | 32% | 0.321 | C | S | . | . | trans | -65.6 | 126.6 | -177.5 | -165.9 | 170.1 | 0 | 0 | 0 | 109.4 | Y2 L107 H108 Y111 | Y2-I114 HydrophobicContact CD2-CB 4.45Å; Y2-I114 HydrophobicContact CE2-CB 4.15Å; L107-I114 HydrophobicContact CB-CD1 4.09Å; L107-I114 HydrophobicContact CD1-CD1 4.4Å; H108-I114 HydrophobicContact CB-CG2 4.28Å; Y111-I114 VanDerWaalsContact O-CB 3.24Å; Y111-I114 WeakPolarHBondContact O-CB 3.14Å; Y111-I114 WeakPolarHBondContact O-CG2 3.49Å; Y111-I114 PolarHBondContact O-N 3.04Å | ||
| 115 | K | 83.4 | Confident | 82.8 | Confident | 147 Ų | 147 | 67.1 Ų | 67.1 | 64% | 0.639 | 34% | 0.338 | S | S | * | . | trans | -99 | 80.4 | 170.5 | -65 | -175 | -178.4 | -177.8 | 0 | 107.4 | K113 I136 R137 | K113-K115 PolarHBondContact O-N 3.38Å; K115-I136 HydrophobicContact CD-CD1 4.25Å; K115-R137 PolarHBondContact O-NH1 3.4Å; K115-R137 PolarHBondContact O-NH2 3.01Å | ||
| 116 | A | 86.6 | Confident | 83 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | trans | -67.6 | 147.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | H104 | H104-A116 HydrophobicContact CB-CB 3.53Š| ||
| 117 | P | 89 | Confident | 83.3 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 16% | 0.156 | 35% | 0.352 | C | S | . | . | trans | -73.6 | 165.3 | 165.4 | 33.9 | -33.2 | 0 | 0 | 0 | 110.9 | H104 Y133 S134 | H104-P117 PolarHBondContact ND1-O 3.47Å; P117-Y133 HydrophobicContact CB-CD2 4.02Å; P117-Y133 HydrophobicContact CB-CE2 3.25Å; P117-Y133 HydrophobicContact CG-CE2 3.81Å; P117-S134 WeakPolarHBondContact CA-O 3.28Å; P117-S134 WeakPolarHBondContact CB-O 3.33Å | ||
| 118 | N | 86.3 | Confident | 83.8 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 25% | 0.251 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.3 | 174.4 | -178.8 | 29.8 | 0 | 0 | 0 | 109.5 | N101 Q120 S134 | N101-N118 PolarHBondContact ND2-OD1 2.81Å; N118-Q120 PolarHBondContact ND2-NE2 2.84Å; N118-S134 PolarHBondContact N-O 2.53Å; N118-S134 PolarHBondContact O-N 2.94Å |
| 119 | I | 89.4 | Confident | 84.4 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121.9 | 179.9 | -66.4 | 161.5 | 0 | 0 | 0 | 108.2 | I100 N101 L131 Y133 L144 | I100-I119 HydrophobicContact CB-CD1 4.31Å; I100-I119 HydrophobicContact CD1-CD1 4.17Å; I100-I119 HydrophobicContact CD1-CG2 4.29Å; I100-I119 HydrophobicContact CG2-CD1 3.65Å; N101-I119 PolarHBondContact ND2-O 3.24Å; N101-I119 PolarHBondContact OD1-N 3.09Å; I119-L131 HydrophobicContact CG2-CD1 3.65Å; I119-L131 HydrophobicContact CG2-CD2 4.01Å; I119-L131 HydrophobicContact CG2-CG 3.93Å; I119-Y133 HydrophobicContact CG1-CD2 4.01Å; I119-L144 HydrophobicContact CD1-CD1 3.75Å; I119-L144 HydrophobicContact CD1-CD2 4.12Å; I119-L144 HydrophobicContact CG1-CD2 4.08Å |
| 120 | Q | 84.9 | Confident | 85.3 | Confident | 33 Ų | 33 | 57 Ų | 57 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 126.8 | -174.6 | -68.8 | 176.9 | -24.9 | 0 | 0 | 110.8 | N118 L131 I132 N271 | N118-Q120 PolarHBondContact ND2-NE2 2.84Å; Q120-L131 CarbonylContact O-C 3.56Å; Q120-L131 WeakPolarHBondContact O-CA 3.44Å; Q120-I132 PolarHBondContact N-O 3.45Å; Q120-I132 PolarHBondContact O-N 3.43Å; Q120-N271 PolarHBondContact NE2-OD1 3.41Å |
| 121 | V | 88 | Confident | 86 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 117.5 | 171.4 | 179 | 0 | 0 | 0 | 0 | 108.4 | L97 I124 I129 | L97-V121 HydrophobicContact CB-CG2 3.75Å; L97-V121 HydrophobicContact CD1-CG2 4.21Å; V121-I124 HydrophobicContact CG1-CD1 4.06Å; V121-I124 HydrophobicContact CG1-CG1 3.68Å; V121-I129 HydrophobicContact CG1-CG2 3.7Å; V121-I129 HydrophobicContact CG2-CG2 4.38Å |
| 122 | T | 85.1 | Confident | 86.4 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 34% | 0.344 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -33.3 | -177.5 | 50.5 | 0 | 0 | 0 | 0 | 113.5 | T130 I132 | T122-T130 PolarHBondContact N-O 2.94Å; T122-T130 WeakPolarHBondContact OG1-CB 3.26Å; T122-T130 WeakPolarHBondContact OG1-CG2 3.36Å; T122-T130 PolarHBondContact OG1-O 2.95Å; T122-I132 HydrophobicContact CG2-CB 4.47Å; T122-I132 HydrophobicContact CG2-CD1 3.42Å; T122-I132 VanDerWaalsContact CG2-CD1 3.42Å; T122-I132 HydrophobicContact CG2-CG1 3.71Å |
| 123 | S | 84.5 | Confident | 87.2 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 145.4 | 176.1 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | T130 | S123-T130 PolarHBondContact O-N 3.4Å; S123-T130 WeakPolarHBondContact OG-CB 3.07Å; S123-T130 PolarHBondContact OG-OG1 2.96Å; S123-T130 VanDerWaalsContact OG-OG1 3.06Å |
| 124 | I | 86.1 | Confident | 87.7 | Confident | 54 Ų | 54 | 44.8 Ų | 44.8 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 109.6 | 174.5 | -57.5 | 170.5 | 0 | 0 | 0 | 106.4 | I94 V121 I129 W187 L191 | I94-I124 HydrophobicContact CD1-CG2 4.33Å; I94-I124 HydrophobicContact CG2-CD1 3.58Å; V121-I124 HydrophobicContact CG1-CD1 4.06Å; V121-I124 HydrophobicContact CG1-CG1 3.68Å; I124-I129 HydrophobicContact CG1-CG1 4.34Å; I124-I129 HydrophobicContact CG1-CG2 4.45Å; I124-I129 HydrophobicContact CG2-CG1 4.19Å; I124-W187 HydrophobicContact CG2-CB 4.25Å; I124-L191 HydrophobicContact CG2-CD1 4.34Å |
| 125 | N | 85.2 | Confident | 88 | Confident | 97 Ų | 97 | 42.9 Ų | 42.9 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | trans | -105.2 | 171.8 | 173.7 | -67.4 | -3.2 | 0 | 0 | 0 | 109.6 | N127 V128 | N125-N127 VanDerWaalsContact C-N 3.26Å; N125-N127 PolarHBondContact O-N 3.3Å; N125-N127 VanDerWaalsContact O-N 3.08Å; N125-V128 PolarHBondContact N-O 3.12Å; N125-V128 PolarHBondContact O-N 3.24Å | ||
| 126 | H | 81.2 | Confident | 88.3 | Confident | 105 Ų | 105 | 40.5 Ų | 40.5 | 49% | 0.486 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -44.7 | -47.9 | -179.9 | -119 | 64.6 | 0 | 0 | 0 | 113.1 | S186 W187 I188 | H126-S186 CarbonylContact O-C 3.6Å; H126-S186 WeakPolarHBondContact O-CA 3.44Å; H126-S186 WeakPolarHBondContact O-CB 3.46Å; H126-W187 PolarHBondContact O-N 3.44Å; H126-I188 HydrophobicContact CB-CD1 4.33Å; H126-I188 WeakPolarHBondContact ND1-CD1 3.34Å |
| 127 | N | 85.3 | Confident | 88.4 | Confident | 103 Ų | 103 | 39.8 Ų | 39.8 | 55% | 0.551 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -116.1 | -5.8 | -174.5 | -63 | 3.8 | 0 | 0 | 0 | 114.2 | N125 W187 | N125-N127 VanDerWaalsContact C-N 3.26Å; N125-N127 PolarHBondContact O-N 3.3Å; N125-N127 VanDerWaalsContact O-N 3.08Å; N127-W187 VanDerWaalsContact C-CD1 3.4Å; N127-W187 PolarHBondContact O-NE1 3.5Å |
| 128 | V | 91.1 | Very high | 88.3 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 16% | 0.164 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 128.6 | -170.1 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | N125 K179 L180 Y181 | N125-V128 PolarHBondContact N-O 3.12Å; N125-V128 PolarHBondContact O-N 3.24Å; V128-K179 HydrophobicContact CG1-CB 3.79Å; V128-K179 HydrophobicContact CG1-CD 4.11Å; V128-K179 HydrophobicContact CG1-CG 3.89Å; V128-L180 WeakPolarHBondContact CA-O 3.37Å; V128-Y181 HydrophobicContact CB-CE1 4.41Å; V128-Y181 HydrophobicContact CG1-CE1 4.27Å; V128-Y181 HydrophobicContact CG2-CD1 3.66Å; V128-Y181 HydrophobicContact CG2-CE1 3.33Å |
| 129 | I | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126 | 164.7 | -61.7 | 170.3 | 0 | 0 | 0 | 108.2 | I94 L97 V121 I124 K179 L180 W187 | I94-I129 HydrophobicContact CD1-CD1 4.3Å; I94-I129 HydrophobicContact CG1-CD1 3.84Å; L97-I129 HydrophobicContact CD1-CD1 4.1Å; L97-I129 HydrophobicContact CD1-CG2 4.17Å; V121-I129 HydrophobicContact CG1-CG2 3.7Å; V121-I129 HydrophobicContact CG2-CG2 4.38Å; I124-I129 HydrophobicContact CG1-CG1 4.34Å; I124-I129 HydrophobicContact CG1-CG2 4.45Å; I124-I129 HydrophobicContact CG2-CG1 4.19Å; I129-K179 WeakPolarHBondContact O-CA 3.36Å; I129-L180 HydrophobicContact CB-CB 4.2Å; I129-L180 HydrophobicContact CB-CD1 4.47Å; I129-L180 HydrophobicContact CG2-CD1 4.44Å; I129-L180 PolarHBondContact N-O 3.49Å; I129-L180 PolarHBondContact O-N 3.3Å; I129-W187 HydrophobicContact CD1-CD2 3.49Å; I129-W187 VanDerWaalsContact CD1-CD2 3.49Å; I129-W187 HydrophobicContact CD1-CE3 3.71Å; I129-W187 HydrophobicContact CD1-CG 4.02Å; I129-W187 HydrophobicContact CD1-CH2 3.95Å; I129-W187 HydrophobicContact CD1-CZ2 3.75Å; I129-W187 HydrophobicContact CD1-CZ3 3.94Å; I129-W187 HydrophobicContact CG1-CD2 3.88Å; I129-W187 HydrophobicContact CG1-CG 3.92Å; I129-W187 HydrophobicContact CG1-CZ2 4.32Å |
| 130 | T | 92.7 | Very high | 88.4 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 122.8 | 171.8 | -49.5 | 0 | 0 | 0 | 0 | 109 | T122 S123 T177 F178 | T122-T130 PolarHBondContact N-O 2.94Å; T122-T130 WeakPolarHBondContact OG1-CB 3.26Å; T122-T130 WeakPolarHBondContact OG1-CG2 3.36Å; T122-T130 PolarHBondContact OG1-O 2.95Å; S123-T130 PolarHBondContact O-N 3.4Å; S123-T130 WeakPolarHBondContact OG-CB 3.07Å; S123-T130 PolarHBondContact OG-OG1 2.96Å; S123-T130 VanDerWaalsContact OG-OG1 3.06Å; T130-T177 HydrophobicContact CG2-CG2 3.77Å; T130-F178 WeakPolarHBondContact CA-O 3.31Å |
| 131 | L | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 131.1 | -176.5 | 179.9 | 153.9 | 0 | 0 | 0 | 109.6 | L97 I119 Q120 L148 F178 L180 | L97-L131 HydrophobicContact CD1-CD1 4.44Å; L97-L131 HydrophobicContact CD2-CD1 3.89Å; I119-L131 HydrophobicContact CG2-CD1 3.65Å; I119-L131 HydrophobicContact CG2-CD2 4.01Å; I119-L131 HydrophobicContact CG2-CG 3.93Å; Q120-L131 CarbonylContact O-C 3.56Å; Q120-L131 WeakPolarHBondContact O-CA 3.44Å; L131-L148 HydrophobicContact CD1-CD1 4.26Å; L131-L148 HydrophobicContact CD1-CD2 4.49Å; L131-L148 HydrophobicContact CD2-CD1 4.45Å; L131-F178 HydrophobicContact CB-CB 4.42Å; L131-F178 HydrophobicContact CD2-CB 4.39Å; L131-F178 HydrophobicContact CD2-CD2 4.12Å; L131-F178 PolarHBondContact N-O 3.23Å; L131-F178 PolarHBondContact O-N 3.11Å; L131-L180 HydrophobicContact CD1-CD1 4.25Å |
| 132 | I | 91 | Very high | 89.1 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.4 | 173.1 | -62.8 | -176.1 | 0 | 0 | 0 | 108.7 | Q120 T122 I175 Y176 | Q120-I132 PolarHBondContact N-O 3.45Å; Q120-I132 PolarHBondContact O-N 3.43Å; T122-I132 HydrophobicContact CG2-CB 4.47Å; T122-I132 HydrophobicContact CG2-CD1 3.42Å; T122-I132 VanDerWaalsContact CG2-CD1 3.42Å; T122-I132 HydrophobicContact CG2-CG1 3.71Å; I132-I175 HydrophobicContact CG2-CG2 3.6Å; I132-Y176 WeakPolarHBondContact CA-O 3.44Å |
| 133 | Y | 92.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 2% | 0.02 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.3 | 173.6 | 167.7 | -121.5 | 0 | 0 | 0 | 109.7 | P117 I119 S135 F140 L144 I175 Y176 F178 | P117-Y133 HydrophobicContact CB-CD2 4.02Å; P117-Y133 HydrophobicContact CB-CE2 3.25Å; P117-Y133 HydrophobicContact CG-CE2 3.81Å; I119-Y133 HydrophobicContact CG1-CD2 4.01Å; Y133-S135 WeakPolarHBondContact OH-CB 3.16Å; Y133-S135 PolarHBondContact OH-OG 3.31Å; Y133-F140 WeakPolarHBondContact OH-CB 3.46Å; Y133-L144 HydrophobicContact CD1-CD2 3.95Å; Y133-L144 HydrophobicContact CD2-CD2 3.22Å; Y133-L144 HydrophobicContact CD2-CG 4.46Å; Y133-L144 HydrophobicContact CE1-CB 4.44Å; Y133-L144 HydrophobicContact CE1-CD2 4.38Å; Y133-L144 HydrophobicContact CE2-CB 4.39Å; Y133-L144 HydrophobicContact CE2-CD2 3.63Å; Y133-L144 HydrophobicContact CE2-CG 4.49Å; Y133-L144 HydrophobicContact CG-CD2 3.35Å; Y133-I175 CarbonylContact O-C 3.58Å; Y133-I175 WeakPolarHBondContact O-CA 3.5Å; Y133-Y176 AromaticContact CD1-CD2 3.5Å; Y133-Y176 HydrophobicContact CD1-CD2 3.5Å; Y133-Y176 HydrophobicContact CD1-CE2 4.35Å; Y133-Y176 HydrophobicContact CD1-CG 4.1Å; Y133-Y176 AromaticContact CE1-CD2 3.92Å; Y133-Y176 HydrophobicContact CE1-CD2 3.92Å; Y133-Y176 HydrophobicContact CE1-CE2 4.33Å; Y133-Y176 PolarHBondContact N-O 2.77Å; Y133-Y176 PolarHBondContact O-N 2.91Å; Y133-F178 HydrophobicContact CD1-CE2 4.32Å |
| 134 | S | 89.6 | Confident | 90 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.1 | 178.1 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | P117 N118 Y174 | P117-S134 WeakPolarHBondContact CA-O 3.28Å; P117-S134 WeakPolarHBondContact CB-O 3.33Å; N118-S134 PolarHBondContact N-O 2.53Å; N118-S134 PolarHBondContact O-N 2.94Å; S134-Y174 CarbonylContact C-O 3.49Å; S134-Y174 WeakPolarHBondContact CA-O 3.42Å |
| 135 | S | 91.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 150.3 | -178.2 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | Y133 R137 Y174 | Y133-S135 WeakPolarHBondContact OH-CB 3.16Å; Y133-S135 PolarHBondContact OH-OG 3.31Å; S135-R137 PolarHBondContact O-N 2.93Å; S135-R137 PolarHBondContact OG-N 3.43Å; S135-Y174 PolarHBondContact N-O 3.2Å; S135-Y174 PolarHBondContact O-N 2.75Å |
| 136 | I | 89.2 | Confident | 90.9 | Very high | 97 Ų | 97 | 35 Ų | 35 | 50% | 0.497 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -75.6 | -16.4 | 171.2 | -55.2 | 164.8 | 0 | 0 | 0 | 110.4 | K115 T173 | K115-I136 HydrophobicContact CD-CD1 4.25Å; I136-T173 HydrophobicContact CG1-CG2 3.96Å |
| 137 | R | 89.7 | Confident | 91.6 | Very high | 30 Ų | 30 | 31.5 Ų | 31.5 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | trans | -92.3 | 123.3 | -177.8 | -52.8 | 173.3 | -174.5 | 81.4 | -4.2 | 109 | M1 T44 K115 S135 F140 | M1-R137 HydrophobicContact CE-CG 4.47Å; M1-R137 VanDerWaalsContact CE-NE 3.26Å; T44-R137 HydrophobicContact CG2-CG 4.22Å; K115-R137 PolarHBondContact O-NH1 3.4Å; K115-R137 PolarHBondContact O-NH2 3.01Å; S135-R137 PolarHBondContact O-N 2.93Å; S135-R137 PolarHBondContact OG-N 3.43Å; R137-F140 HydrophobicContact CB-CB 4.04Å; R137-F140 HydrophobicContact CB-CD2 3.54Å; R137-F140 HydrophobicContact CB-CE2 4.22Å; R137-F140 HydrophobicContact CB-CG 3.88Å; R137-F140 HydrophobicContact CG-CD2 4.2Å; R137-F140 HydrophobicContact CG-CE2 4.48Å; R137-F140 HydrophobicContact CG-CG 4.5Å | ||
| 138 | E | 86.9 | Confident | 92 | Very high | 65 Ų | 65 | 26.7 Ų | 26.7 | 30% | 0.304 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -71.1 | -51.2 | -175.7 | -179.7 | 160.3 | -174.7 | 0 | 0 | 111.4 | F140 K167 Y174 Y176 | E138-F140 VanDerWaalsContact C-N 3.27Å; E138-F140 PolarHBondContact O-N 2.86Å; E138-K167 IonicContact OE1-NZ 2.75Å; E138-K167 PolarHBondContact OE1-NZ 3.09Å; E138-Y174 HydrophobicContact CB-CD1 4.19Å; E138-Y174 HydrophobicContact CB-CD2 4.06Å; E138-Y174 HydrophobicContact CB-CE1 3.85Å; E138-Y174 HydrophobicContact CB-CE2 3.76Å; E138-Y174 HydrophobicContact CB-CG 4.28Å; E138-Y174 HydrophobicContact CG-CD1 3.97Å; E138-Y174 HydrophobicContact CG-CE1 3.62Å; E138-Y174 HydrophobicContact CG-CE2 4.46Å; E138-Y174 HydrophobicContact CG-CG 4.49Å; E138-Y174 WeakPolarHBondContact OE2-CE1 3.26Å; E138-Y174 PolarHBondContact OE2-OH 3.13Å; E138-Y176 PolarHBondContact O-OH 2.99Å |
| 139 | E | 85.4 | Confident | 92.3 | Very high | 62 Ų | 62 | 27 Ų | 27 | 29% | 0.29 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -7.3 | -165.3 | -52.4 | 81.4 | -173.9 | 0 | 0 | 113.4 | T48 Y66 A141 | T48-E139 HydrophobicContact CG2-CG 4.35Å; Y66-E139 HydrophobicContact CD2-CB 4.08Å; Y66-E139 HydrophobicContact CE1-CB 4.21Å; Y66-E139 HydrophobicContact CE2-CB 3.41Å; Y66-E139 VanDerWaalsContact CE2-CB 3.41Å; Y66-E139 HydrophobicContact CE2-CG 4.22Å; Y66-E139 VanDerWaalsContact CZ-CB 3.47Å; E139-A141 PolarHBondContact O-N 3.34Å; E139-A141 VanDerWaalsContact O-N 3.1Å |
| 140 | F | 92 | Very high | 92.4 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 8.5 | -172.7 | -83.6 | -111.7 | 0 | 0 | 0 | 114.8 | M1 L5 L47 Y66 F69 Y133 R137 E138 Y143 L144 | M1-F140 HydrophobicContact CE-CE1 4.18Å; M1-F140 HydrophobicContact CE-CE2 3.82Å; M1-F140 HydrophobicContact CE-CZ 3.39Å; M1-F140 HydrophobicContact SD-CZ 4.37Å; L5-F140 HydrophobicContact CD1-CE1 4.37Å; L47-F140 HydrophobicContact CD2-CE2 4.48Å; L47-F140 HydrophobicContact CD2-CZ 3.84Å; Y66-F140 AromaticContact CE1-CD2 3.96Å; Y66-F140 HydrophobicContact CE1-CD2 3.96Å; Y66-F140 AromaticContact CE1-CE2 3.78Å; Y66-F140 HydrophobicContact CE1-CE2 3.78Å; Y66-F140 HydrophobicContact CE1-CZ 4.27Å; F69-F140 HydrophobicContact CE1-CE1 4.43Å; Y133-F140 WeakPolarHBondContact OH-CB 3.46Å; R137-F140 HydrophobicContact CB-CB 4.04Å; R137-F140 HydrophobicContact CB-CD2 3.54Å; R137-F140 HydrophobicContact CB-CE2 4.22Å; R137-F140 HydrophobicContact CB-CG 3.88Å; R137-F140 HydrophobicContact CG-CD2 4.2Å; R137-F140 HydrophobicContact CG-CE2 4.48Å; R137-F140 HydrophobicContact CG-CG 4.5Å; E138-F140 VanDerWaalsContact C-N 3.27Å; E138-F140 PolarHBondContact O-N 2.86Å; F140-Y143 AromaticContact CD1-CD1 3.66Å; F140-Y143 HydrophobicContact CD1-CD1 3.66Å; F140-Y143 HydrophobicContact CD1-CE1 4.21Å; F140-Y143 AromaticContact CD1-CG 3.89Å; F140-Y143 HydrophobicContact CD1-CG 3.89Å; F140-Y143 HydrophobicContact CE1-CD1 4.23Å; F140-Y143 HydrophobicContact CE1-CE1 4.43Å; F140-Y143 HydrophobicContact CE1-CG 4.33Å; F140-L144 PolarHBondContact O-N 3.05Å; F140-L144 VanDerWaalsContact O-N 3.13Å |
| 141 | A | 92.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 3% | 0.033 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.4 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E139 L144 R145 Y176 F178 | E139-A141 PolarHBondContact O-N 3.34Å; E139-A141 VanDerWaalsContact O-N 3.1Å; A141-L144 PolarHBondContact O-N 3.5Å; A141-R145 WeakPolarHBondContact O-CB 3.37Å; A141-R145 PolarHBondContact O-N 3.02Å; A141-Y176 HydrophobicContact CB-CD1 3.68Å; A141-Y176 HydrophobicContact CB-CD2 4.13Å; A141-Y176 HydrophobicContact CB-CE1 3.64Å; A141-Y176 HydrophobicContact CB-CE2 4.08Å; A141-Y176 HydrophobicContact CB-CG 3.94Å; A141-F178 HydrophobicContact CB-CZ 4.31Å; A141-F178 WeakPolarHBondContact O-CZ 3.32Å |
| 142 | H | 94 | Very high | 92.4 | Very high | 29 Ų | 29 | 29.1 Ų | 29.1 | 13% | 0.134 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.6 | -32.6 | 179.4 | -67.5 | -101.1 | 0 | 0 | 0 | 112.1 | E63 R145 S146 | E63-H142 IonicContact OE1-NE2 3.77Å; E63-H142 IonicContact OE2-CE1 3.49Å; E63-H142 PolarHBondContact OE2-CE1 2.6Å; E63-H142 IonicContact OE2-ND1 3.96Å; E63-H142 IonicContact OE2-NE2 2.88Å; H142-R145 WeakPolarHBondContact O-CB 3.45Å; H142-R145 PolarHBondContact O-N 3.06Å; H142-S146 PolarHBondContact O-N 2.76Å; H142-S146 PolarHBondContact O-OG 3.08Å |
| 143 | Y | 94.7 | Very high | 92.5 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 9% | 0.086 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.7 | -50.7 | 169.5 | 177.6 | -95.8 | 0 | 0 | 0 | 112.4 | Y66 F69 S73 F140 S146 Q147 | Y66-Y143 VanDerWaalsContact O-CA 3.31Å; Y66-Y143 WeakPolarHBondContact O-CA 3.24Å; F69-Y143 HydrophobicContact CB-CD2 4.4Å; F69-Y143 AromaticContact CD1-CD2 3.35Å; F69-Y143 HydrophobicContact CD1-CD2 3.35Å; F69-Y143 AromaticContact CD1-CE2 3.48Å; F69-Y143 HydrophobicContact CD1-CE2 3.48Å; F69-Y143 VanDerWaalsContact CD1-CE2 3.48Å; F69-Y143 HydrophobicContact CD1-CG 4.49Å; F69-Y143 HydrophobicContact CD2-CE2 4.3Å; F69-Y143 AromaticContact CE1-CD2 3.7Å; F69-Y143 HydrophobicContact CE1-CD2 3.7Å; F69-Y143 AromaticContact CE1-CE2 3.47Å; F69-Y143 HydrophobicContact CE1-CE2 3.47Å; F69-Y143 VanDerWaalsContact CE1-CE2 3.47Å; F69-Y143 HydrophobicContact CE2-CE2 4.29Å; F69-Y143 AromaticContact CG-CD2 3.94Å; F69-Y143 HydrophobicContact CG-CD2 3.94Å; F69-Y143 AromaticContact CG-CE2 3.9Å; F69-Y143 HydrophobicContact CG-CE2 3.9Å; F69-Y143 AromaticContact CZ-CE2 3.89Å; F69-Y143 HydrophobicContact CZ-CE2 3.89Å; S73-Y143 VanDerWaalsContact CB-OH 3.26Å; S73-Y143 WeakPolarHBondContact CB-OH 3.41Å; S73-Y143 WeakPolarHBondContact OG-CE2 3.21Å; S73-Y143 PolarHBondContact OG-OH 3.08Å; F140-Y143 AromaticContact CD1-CD1 3.66Å; F140-Y143 HydrophobicContact CD1-CD1 3.66Å; F140-Y143 HydrophobicContact CD1-CE1 4.21Å; F140-Y143 AromaticContact CD1-CG 3.89Å; F140-Y143 HydrophobicContact CD1-CG 3.89Å; F140-Y143 HydrophobicContact CE1-CD1 4.23Å; F140-Y143 HydrophobicContact CE1-CE1 4.43Å; F140-Y143 HydrophobicContact CE1-CG 4.33Å; Y143-S146 PolarHBondContact O-OG 3.3Å; Y143-Q147 WeakPolarHBondContact O-CG 3.47Å; Y143-Q147 PolarHBondContact O-N 3.23Å; Y143-Q147 PolarHBondContact OH-NE2 3.38Å |
| 144 | L | 94.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -40.2 | 176.2 | 179.3 | 67.6 | 0 | 0 | 0 | 111.3 | I119 Y133 F140 A141 S146 Q147 L148 | I119-L144 HydrophobicContact CD1-CD1 3.75Å; I119-L144 HydrophobicContact CD1-CD2 4.12Å; I119-L144 HydrophobicContact CG1-CD2 4.08Å; Y133-L144 HydrophobicContact CD1-CD2 3.95Å; Y133-L144 HydrophobicContact CD2-CD2 3.22Å; Y133-L144 HydrophobicContact CD2-CG 4.46Å; Y133-L144 HydrophobicContact CE1-CB 4.44Å; Y133-L144 HydrophobicContact CE1-CD2 4.38Å; Y133-L144 HydrophobicContact CE2-CB 4.39Å; Y133-L144 HydrophobicContact CE2-CD2 3.63Å; Y133-L144 HydrophobicContact CE2-CG 4.49Å; Y133-L144 HydrophobicContact CG-CD2 3.35Å; F140-L144 PolarHBondContact O-N 3.05Å; F140-L144 VanDerWaalsContact O-N 3.13Å; A141-L144 PolarHBondContact O-N 3.5Å; L144-S146 VanDerWaalsContact C-N 3.3Å; L144-S146 PolarHBondContact O-N 2.95Å; L144-Q147 WeakPolarHBondContact O-CB 3.46Å; L144-Q147 PolarHBondContact O-N 3.4Å; L144-Q147 VanDerWaalsContact O-N 3.15Å; L144-L148 HydrophobicContact CD1-CD2 4.41Å; L144-L148 HydrophobicContact CD1-CG 4.15Å; L144-L148 HydrophobicContact CD2-CD1 4.25Å; L144-L148 HydrophobicContact CG-CD1 3.99Å; L144-L148 HydrophobicContact CG-CG 4.07Å; L144-L148 WeakPolarHBondContact O-CG 3.32Å; L144-L148 PolarHBondContact O-N 3.46Å |
| 145 | R | 95.2 | Very high | 92.4 | Very high | 77 Ų | 77 | 38 Ų | 38 | 29% | 0.291 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -55.4 | -45.7 | -178.1 | -175 | -172.2 | 176.8 | -159.2 | -7 | 111.7 | A141 H142 I149 A162 F178 | A141-R145 WeakPolarHBondContact O-CB 3.37Å; A141-R145 PolarHBondContact O-N 3.02Å; H142-R145 WeakPolarHBondContact O-CB 3.45Å; H142-R145 PolarHBondContact O-N 3.06Å; R145-I149 HydrophobicContact CG-CD1 4.31Å; R145-I149 WeakPolarHBondContact O-CG1 3.5Å; R145-I149 PolarHBondContact O-N 3.13Å; R145-A162 HydrophobicContact CG-CB 3.86Å; R145-A162 PolarHBondContact NE-O 3.31Å; R145-A162 PolarHBondContact NH2-O 3.41Å; R145-F178 HydrophobicContact CB-CE1 3.94Å; R145-F178 HydrophobicContact CB-CZ 4.2Å; R145-F178 HydrophobicContact CG-CE1 4.01Å |
| 146 | S | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.6 | -39.7 | 177.9 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | Y67 G70 H142 Y143 L144 L148 I149 Y150 | Y67-S146 WeakPolarHBondContact O-CB 3.23Å; Y67-S146 PolarHBondContact O-OG 3.38Å; G70-S146 VanDerWaalsContact CA-OG 3.27Å; G70-S146 WeakPolarHBondContact CA-OG 3.32Å; H142-S146 PolarHBondContact O-N 2.76Å; H142-S146 PolarHBondContact O-OG 3.08Å; Y143-S146 PolarHBondContact O-OG 3.3Å; L144-S146 VanDerWaalsContact C-N 3.3Å; L144-S146 PolarHBondContact O-N 2.95Å; S146-L148 PolarHBondContact O-N 2.95Å; S146-I149 PolarHBondContact O-N 2.99Å; S146-Y150 WeakPolarHBondContact O-CB 3.36Å; S146-Y150 PolarHBondContact O-N 3.41Å |
| 147 | Q | 95.1 | Very high | 92.3 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -47.9 | 175.1 | -69.8 | -179.9 | -29.8 | 0 | 0 | 112.1 | G70 V74 Y143 L144 I149 Y150 I151 | G70-Q147 WeakPolarHBondContact O-CG 3.47Å; V74-Q147 HydrophobicContact CG2-CB 4.24Å; V74-Q147 HydrophobicContact CG2-CG 3.88Å; Y143-Q147 WeakPolarHBondContact O-CG 3.47Å; Y143-Q147 PolarHBondContact O-N 3.23Å; Y143-Q147 PolarHBondContact OH-NE2 3.38Å; L144-Q147 WeakPolarHBondContact O-CB 3.46Å; L144-Q147 PolarHBondContact O-N 3.4Å; L144-Q147 VanDerWaalsContact O-N 3.15Å; Q147-I149 VanDerWaalsContact C-N 3.35Å; Q147-I149 PolarHBondContact O-N 3.16Å; Q147-Y150 PolarHBondContact O-N 2.98Å; Q147-I151 HydrophobicContact CB-CD1 4.46Å; Q147-I151 VanDerWaalsContact O-CB 3.24Å; Q147-I151 WeakPolarHBondContact O-CB 3.23Å; Q147-I151 WeakPolarHBondContact O-CG1 3.38Å; Q147-I151 PolarHBondContact O-N 3.43Å |
| 148 | L | 94.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 178.7 | -69 | 175.1 | 0 | 0 | 0 | 111.8 | Y93 L97 I100 L131 L144 S146 A152 L180 | Y93-L148 PolarHBondContact OH-O 3.16Å; Y93-L148 VanDerWaalsContact OH-O 3.09Å; L97-L148 HydrophobicContact CD2-CD2 3.69Å; I100-L148 HydrophobicContact CD1-CD2 4.19Å; L131-L148 HydrophobicContact CD1-CD1 4.26Å; L131-L148 HydrophobicContact CD1-CD2 4.49Å; L131-L148 HydrophobicContact CD2-CD1 4.45Å; L144-L148 HydrophobicContact CD1-CD2 4.41Å; L144-L148 HydrophobicContact CD1-CG 4.15Å; L144-L148 HydrophobicContact CD2-CD1 4.25Å; L144-L148 HydrophobicContact CG-CD1 3.99Å; L144-L148 HydrophobicContact CG-CG 4.07Å; L144-L148 WeakPolarHBondContact O-CG 3.32Å; L144-L148 PolarHBondContact O-N 3.46Å; S146-L148 PolarHBondContact O-N 2.95Å; L148-A152 WeakPolarHBondContact O-CB 3.44Å; L148-A152 PolarHBondContact O-N 2.99Å; L148-L180 HydrophobicContact CD1-CD2 4.37Å |
| 149 | I | 95.6 | Very high | 92.5 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 17% | 0.169 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.9 | -46.2 | 179.5 | -66.2 | 168.6 | 0 | 0 | 0 | 110.9 | Y67 R145 S146 Q147 A152 K153 V160 A162 | Y67-I149 HydrophobicContact CE2-CD1 4.43Å; R145-I149 HydrophobicContact CG-CD1 4.31Å; R145-I149 WeakPolarHBondContact O-CG1 3.5Å; R145-I149 PolarHBondContact O-N 3.13Å; S146-I149 PolarHBondContact O-N 2.99Å; Q147-I149 VanDerWaalsContact C-N 3.35Å; Q147-I149 PolarHBondContact O-N 3.16Å; I149-A152 PolarHBondContact O-N 2.76Å; I149-K153 PolarHBondContact O-N 3.39Å; I149-K153 VanDerWaalsContact O-N 3.09Å; I149-V160 WeakPolarHBondContact CG2-O 3.24Å; I149-A162 HydrophobicContact CD1-CB 3.98Å; I149-A162 HydrophobicContact CG1-CB 3.97Å |
| 150 | Y | 95 | Very high | 92.9 | Very high | 54 Ų | 54 | 41.6 Ų | 41.6 | 21% | 0.212 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.1 | -41.9 | -173.6 | -172.3 | -116.4 | 0 | 0 | 0 | 112 | I71 V74 D75 S146 Q147 A152 K153 L154 | I71-Y150 HydrophobicContact CG2-CD1 4.08Å; I71-Y150 HydrophobicContact CG2-CD2 4Å; I71-Y150 HydrophobicContact CG2-CE1 4.03Å; I71-Y150 HydrophobicContact CG2-CE2 3.98Å; I71-Y150 HydrophobicContact CG2-CG 4.05Å; V74-Y150 HydrophobicContact CB-CD1 3.67Å; V74-Y150 HydrophobicContact CB-CE1 3.97Å; V74-Y150 HydrophobicContact CG1-CD1 3.75Å; V74-Y150 HydrophobicContact CG1-CE1 3.94Å; V74-Y150 HydrophobicContact CG2-CD1 4.15Å; D75-Y150 WeakPolarHBondContact OD1-CE1 3.04Å; D75-Y150 VanDerWaalsContact OD1-CZ 3.26Å; D75-Y150 PolarHBondContact OD1-OH 3.31Å; S146-Y150 WeakPolarHBondContact O-CB 3.36Å; S146-Y150 PolarHBondContact O-N 3.41Å; Q147-Y150 PolarHBondContact O-N 2.98Å; Y150-A152 PolarHBondContact O-N 3.24Å; Y150-K153 PolarHBondContact O-N 3.1Å; Y150-L154 HydrophobicContact CE1-CD2 4.01Å; Y150-L154 VanDerWaalsContact O-CB 3.23Å; Y150-L154 WeakPolarHBondContact O-CB 3.23Å; Y150-L154 PolarHBondContact O-N 2.99Å |
| 151 | I | 93.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.4 | -69 | 173.2 | 0 | 0 | 0 | 110.7 | V74 F96 Q147 K153 L154 Y155 F156 | V74-I151 HydrophobicContact CG1-CG1 3.97Å; V74-I151 HydrophobicContact CG2-CD1 4.14Å; V74-I151 HydrophobicContact CG2-CG1 3.95Å; F96-I151 HydrophobicContact CD1-CG2 4.38Å; F96-I151 HydrophobicContact CE1-CD1 4.49Å; F96-I151 HydrophobicContact CE1-CG2 3.8Å; F96-I151 HydrophobicContact CE2-CG2 3.97Å; F96-I151 HydrophobicContact CZ-CD1 3.81Å; F96-I151 HydrophobicContact CZ-CG2 3.61Å; Q147-I151 HydrophobicContact CB-CD1 4.46Å; Q147-I151 VanDerWaalsContact O-CB 3.24Å; Q147-I151 WeakPolarHBondContact O-CB 3.23Å; Q147-I151 WeakPolarHBondContact O-CG1 3.38Å; Q147-I151 PolarHBondContact O-N 3.43Å; I151-K153 VanDerWaalsContact C-N 3.27Å; I151-K153 PolarHBondContact O-N 3.07Å; I151-L154 PolarHBondContact O-N 3.35Å; I151-Y155 HydrophobicContact CG2-CD2 3.83Å; I151-Y155 HydrophobicContact CG2-CE2 4.37Å; I151-Y155 PolarHBondContact O-N 2.87Å; I151-F156 HydrophobicContact CG2-CE2 4.22Å |
| 152 | A | 92.8 | Very high | 93 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.5 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y93 L148 I149 Y150 F156 Q157 L158 V160 | Y93-A152 HydrophobicContact CD2-CB 3.93Å; Y93-A152 HydrophobicContact CE1-CB 4.45Å; Y93-A152 HydrophobicContact CE2-CB 3.54Å; L148-A152 WeakPolarHBondContact O-CB 3.44Å; L148-A152 PolarHBondContact O-N 2.99Å; I149-A152 PolarHBondContact O-N 2.76Å; Y150-A152 PolarHBondContact O-N 3.24Å; A152-F156 CarbonylContact O-C 3.56Å; A152-F156 WeakPolarHBondContact O-CA 3.5Å; A152-F156 WeakPolarHBondContact O-CB 3.43Å; A152-F156 PolarHBondContact O-N 2.75Å; A152-Q157 PolarHBondContact O-N 3.41Å; A152-L158 CarbonylContact C-O 3.59Å; A152-L158 HydrophobicContact CB-CB 4.4Å; A152-L158 PolarHBondContact O-N 2.93Å; A152-V160 HydrophobicContact CB-CB 3.86Å; A152-V160 HydrophobicContact CB-CG2 3.55Å |
| 153 | K | 92.8 | Very high | 93 | Very high | 148 Ų | 148 | 47.3 Ų | 47.3 | 64% | 0.643 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -71.5 | -46.1 | 177.5 | -174.4 | 179.9 | 177.6 | -176.1 | 0 | 112.4 | I149 Y150 I151 Q157 L158 | I149-K153 PolarHBondContact O-N 3.39Å; I149-K153 VanDerWaalsContact O-N 3.09Å; Y150-K153 PolarHBondContact O-N 3.1Å; I151-K153 VanDerWaalsContact C-N 3.27Å; I151-K153 PolarHBondContact O-N 3.07Å; K153-Q157 WeakPolarHBondContact O-CA 3.39Å; K153-Q157 PolarHBondContact O-N 3.2Å; K153-L158 WeakPolarHBondContact CA-O 3.4Å; K153-L158 PolarHBondContact N-O 3.24Å |
| 154 | L | 90.6 | Very high | 92.9 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72.6 | -46.5 | -170.6 | -173.3 | 67.1 | 0 | 0 | 0 | 112.4 | V74 Y150 I151 | V74-L154 HydrophobicContact CG1-CD2 4.31Å; Y150-L154 HydrophobicContact CE1-CD2 4.01Å; Y150-L154 VanDerWaalsContact O-CB 3.23Å; Y150-L154 WeakPolarHBondContact O-CB 3.23Å; Y150-L154 PolarHBondContact O-N 2.99Å; I151-L154 PolarHBondContact O-N 3.35Å |
| 155 | Y | 89.1 | Confident | 92.9 | Very high | 38 Ų | 38 | 52.6 Ų | 52.6 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -102.6 | -30.5 | -173.9 | -57.2 | -42.9 | 0 | 0 | 0 | 114 | S78 Q83 L86 Q87 I151 | S78-Y155 PolarHBondContact OG-OH 2.84Å; Q83-Y155 HydrophobicContact CG-CE1 4.28Å; L86-Y155 HydrophobicContact CB-CD2 4.43Å; L86-Y155 HydrophobicContact CB-CE2 3.67Å; L86-Y155 HydrophobicContact CD1-CE2 4.07Å; L86-Y155 HydrophobicContact CG-CE2 4.48Å; Q87-Y155 HydrophobicContact CG-CD1 3.85Å; Q87-Y155 HydrophobicContact CG-CD2 4.47Å; Q87-Y155 HydrophobicContact CG-CE1 4.05Å; Q87-Y155 HydrophobicContact CG-CG 4.08Å; I151-Y155 HydrophobicContact CG2-CD2 3.83Å; I151-Y155 HydrophobicContact CG2-CE2 4.37Å; I151-Y155 PolarHBondContact O-N 2.87Å |
| 156 | F | 88.9 | Confident | 92.7 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 17% | 0.167 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -106.3 | -3.3 | -177.1 | -58.1 | -79.7 | 0 | 0 | 0 | 113.4 | Y93 F96 I151 A152 L158 | Y93-F156 AromaticContact CD2-CD2 3.64Å; Y93-F156 HydrophobicContact CD2-CD2 3.64Å; Y93-F156 AromaticContact CD2-CE2 3.96Å; Y93-F156 HydrophobicContact CD2-CE2 3.96Å; Y93-F156 HydrophobicContact CD2-CG 4.29Å; Y93-F156 HydrophobicContact CG-CD2 4.39Å; F96-F156 HydrophobicContact CB-CE2 3.91Å; F96-F156 HydrophobicContact CB-CZ 3.61Å; F96-F156 HydrophobicContact CD1-CE2 4.38Å; F96-F156 HydrophobicContact CD2-CE2 4.23Å; F96-F156 HydrophobicContact CD2-CZ 4.33Å; F96-F156 AromaticContact CG-CE2 3.91Å; F96-F156 HydrophobicContact CG-CE2 3.91Å; F96-F156 HydrophobicContact CG-CZ 4.05Å; I151-F156 HydrophobicContact CG2-CE2 4.22Å; A152-F156 CarbonylContact O-C 3.56Å; A152-F156 WeakPolarHBondContact O-CA 3.5Å; A152-F156 WeakPolarHBondContact O-CB 3.43Å; A152-F156 PolarHBondContact O-N 2.75Å; F156-L158 HydrophobicContact CB-CD1 4.02Å; F156-L158 HydrophobicContact CB-CG 4.01Å; F156-L158 PolarHBondContact O-N 3.5Å |
| 157 | Q | 89.6 | Confident | 92.6 | Very high | 179 Ų | 179 | 56.5 Ų | 56.5 | 84% | 0.836 | 27% | 0.274 | S | S | * | . | trans | 54.3 | 32.4 | -178.6 | -55 | 177.3 | 14.1 | 0 | 0 | 113.1 | A152 K153 | A152-Q157 PolarHBondContact O-N 3.41Å; K153-Q157 WeakPolarHBondContact O-CA 3.39Å; K153-Q157 PolarHBondContact O-N 3.2Å | ||
| 158 | L | 90.2 | Very high | 92.5 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | trans | -101 | 136.7 | 179.1 | -62.6 | 175.3 | 0 | 0 | 0 | 111 | Y93 A152 K153 F156 V160 W187 L190 | Y93-L158 HydrophobicContact CD1-CD1 4.45Å; Y93-L158 HydrophobicContact CG-CD1 4.14Å; A152-L158 CarbonylContact C-O 3.59Å; A152-L158 HydrophobicContact CB-CB 4.4Å; A152-L158 PolarHBondContact O-N 2.93Å; K153-L158 WeakPolarHBondContact CA-O 3.4Å; K153-L158 PolarHBondContact N-O 3.24Å; F156-L158 HydrophobicContact CB-CD1 4.02Å; F156-L158 HydrophobicContact CB-CG 4.01Å; F156-L158 PolarHBondContact O-N 3.5Å; L158-V160 HydrophobicContact CB-CG2 3.73Å; L158-V160 HydrophobicContact CD1-CG2 4.48Å; L158-V160 PolarHBondContact O-N 2.89Å; L158-W187 HydrophobicContact CD1-CH2 4.49Å; L158-W187 HydrophobicContact CD1-CZ3 4.1Å; L158-L190 HydrophobicContact CD2-CD1 4.15Å | ||
| 159 | D | 91.5 | Very high | 92.2 | Very high | 83 Ų | 83 | 67.3 Ų | 67.3 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | trans | -89.2 | 81.2 | 170.3 | -172.3 | -3.8 | 0 | 0 | 0 | 109.4 | N182 K183 | D159-N182 PolarHBondContact O-OD1 3.42Å; D159-K183 HydrophobicContact CB-CB 4.29Å; D159-K183 PolarHBondContact O-N 3.38Å; D159-K183 IonicContact OD1-NZ 3.93Å; D159-K183 PolarHBondContact OD1-NZ 3.35Å; D159-K183 WeakPolarHBondContact OD2-CD 3.41Å; D159-K183 IonicContact OD2-NZ 3.08Å; D159-K183 PolarHBondContact OD2-NZ 3.33Å | ||
| 160 | V | 93.4 | Very high | 91.6 | Very high | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 136.6 | -179.2 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | Y93 I149 A152 L158 L180 Y181 W187 | Y93-V160 HydrophobicContact CE1-CG2 4.36Å; I149-V160 WeakPolarHBondContact CG2-O 3.24Å; A152-V160 HydrophobicContact CB-CB 3.86Å; A152-V160 HydrophobicContact CB-CG2 3.55Å; L158-V160 HydrophobicContact CB-CG2 3.73Å; L158-V160 HydrophobicContact CD1-CG2 4.48Å; L158-V160 PolarHBondContact O-N 2.89Å; V160-L180 HydrophobicContact CG1-CB 4.18Å; V160-Y181 CarbonylContact C-O 3.28Å; V160-Y181 WeakPolarHBondContact CA-O 3.25Å; V160-W187 HydrophobicContact CG1-CZ2 4.47Å; V160-W187 HydrophobicContact CG2-CH2 3.79Å; V160-W187 HydrophobicContact CG2-CZ2 4.36Å |
| 161 | S | 92.8 | Very high | 91 | Very high | 37 Ų | 37 | 73.9 Ų | 73.9 | 26% | 0.259 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.8 | 168 | 66.4 | 0 | 0 | 0 | 0 | 110.6 | L180 Y181 | S161-L180 CarbonylContact O-C 3.6Å; S161-L180 WeakPolarHBondContact O-CA 3.45Å; S161-Y181 PolarHBondContact N-O 3.48Å; S161-Y181 PolarHBondContact O-N 2.78Å; S161-Y181 PolarHBondContact OG-O 3.2Å |
| 162 | A | 94.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 76.6 Ų | 76.6 | 2% | 0.017 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R145 I149 F178 L180 | R145-A162 HydrophobicContact CG-CB 3.86Å; R145-A162 PolarHBondContact NE-O 3.31Å; R145-A162 PolarHBondContact NH2-O 3.41Å; I149-A162 HydrophobicContact CD1-CB 3.98Å; I149-A162 HydrophobicContact CG1-CB 3.97Å; A162-F178 HydrophobicContact CB-CD1 4.49Å; A162-L180 HydrophobicContact CB-CD2 3.37Å |
| 163 | K | 93.8 | Very high | 90.2 | Very high | 120 Ų | 120 | 79.1 Ų | 79.1 | 52% | 0.522 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.5 | 173.8 | -65.7 | -173.7 | -179.2 | 178.3 | 0 | 110.2 | F178 K179 Y181 | K163-F178 CarbonylContact O-C 3.56Å; K163-F178 WeakPolarHBondContact O-CA 3.31Å; K163-K179 PolarHBondContact N-O 3.21Å; K163-K179 PolarHBondContact O-N 3.34Å; K163-Y181 HydrophobicContact CB-CE2 4.19Å; K163-Y181 HydrophobicContact CD-CD2 4.39Å; K163-Y181 HydrophobicContact CD-CE2 3.79Å; K163-Y181 HydrophobicContact CG-CD2 4.38Å; K163-Y181 HydrophobicContact CG-CE2 4.02Å |
| 164 | L | 93.3 | Very high | 90.1 | Very high | 63 Ų | 63 | 73.5 Ų | 73.5 | 33% | 0.33 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 121.3 | 170.3 | -179.2 | 63.1 | 0 | 0 | 0 | 108.9 | Y176 F178 | L164-Y176 HydrophobicContact CD1-CD1 3.85Å; L164-Y176 HydrophobicContact CD1-CG 4.33Å; L164-Y176 HydrophobicContact CD2-CD1 4.22Å; L164-F178 HydrophobicContact CB-CD1 4.15Å; L164-F178 HydrophobicContact CB-CE1 3.8Å; L164-F178 HydrophobicContact CD1-CD1 4.23Å; L164-F178 HydrophobicContact CD1-CE1 3.88Å; L164-F178 HydrophobicContact CD1-CE2 4.25Å; L164-F178 HydrophobicContact CD1-CZ 3.89Å; L164-F178 HydrophobicContact CG-CE1 4.38Å |
| 165 | V | 92.9 | Very high | 90.2 | Very high | 80 Ų | 80 | 71.4 Ų | 71.4 | 49% | 0.485 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -35.8 | -173.7 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | T177 K179 | V165-T177 PolarHBondContact N-O 3.5Å; V165-K179 HydrophobicContact CG2-CB 4Å; V165-K179 HydrophobicContact CG2-CD 3.74Å; V165-K179 HydrophobicContact CG2-CG 3.68Å |
| 166 | D | 92.1 | Very high | 90.4 | Very high | 53 Ų | 53 | 69.8 Ų | 69.8 | 28% | 0.283 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 145.6 | -174.6 | -170.4 | 22.8 | 0 | 0 | 0 | 110.7 | K168 Y176 T177 | D166-K168 WeakPolarHBondContact OD2-CD 3.33Å; D166-K168 WeakPolarHBondContact OD2-CE 3.45Å; D166-K168 IonicContact OD2-NZ 3.03Å; D166-K168 PolarHBondContact OD2-NZ 3.31Å; D166-Y176 WeakPolarHBondContact O-CA 3.29Å; D166-T177 PolarHBondContact O-N 3.4Å |
| 167 | K | 92.4 | Very high | 90.7 | Very high | 105 Ų | 105 | 69.2 Ų | 69.2 | 46% | 0.457 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 119.4 | 176.3 | 173.8 | -178.3 | -178.3 | 177.8 | 0 | 108.1 | E138 Y176 | E138-K167 IonicContact OE1-NZ 2.75Å; E138-K167 PolarHBondContact OE1-NZ 3.09Å; K167-Y176 HydrophobicContact CB-CD1 4.05Å; K167-Y176 HydrophobicContact CB-CE1 4Å; K167-Y176 HydrophobicContact CD-CD1 4.5Å; K167-Y176 HydrophobicContact CD-CE1 3.61Å; K167-Y176 VanDerWaalsContact CE-OH 3.31Å; K167-Y176 WeakPolarHBondContact CE-OH 3.31Å; K167-Y176 HydrophobicContact CG-CD1 3.98Å; K167-Y176 HydrophobicContact CG-CE1 3.45Å; K167-Y176 VanDerWaalsContact CG-CE1 3.45Å |
| 168 | K | 92.2 | Very high | 91 | Very high | 127 Ų | 127 | 60.7 Ų | 60.7 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.1 | 177.8 | -71.3 | 171.2 | 176.9 | 148.2 | 0 | 110.5 | D166 I175 | D166-K168 WeakPolarHBondContact OD2-CD 3.33Å; D166-K168 WeakPolarHBondContact OD2-CE 3.45Å; D166-K168 IonicContact OD2-NZ 3.03Å; D166-K168 PolarHBondContact OD2-NZ 3.31Å; K168-I175 PolarHBondContact N-O 3.41Å; K168-I175 PolarHBondContact O-N 3.44Å |
| 169 | K | 89.2 | Confident | 91.2 | Very high | 134 Ų | 134 | 62.9 Ų | 62.9 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.9 | 171.3 | -174.2 | 175.1 | -177.8 | 163.7 | 0 | 108.7 | Y174 | K169-Y174 HydrophobicContact CB-CD1 4.25Å; K169-Y174 HydrophobicContact CB-CE1 4.33Å; K169-Y174 HydrophobicContact CD-CD1 4.39Å; K169-Y174 HydrophobicContact CD-CE1 3.73Å; K169-Y174 HydrophobicContact CG-CD1 4.22Å; K169-Y174 HydrophobicContact CG-CE1 4.06Å; K169-Y174 PolarHBondContact NZ-OH 3.03Å |
| 170 | Q | 83.7 | Confident | 91.4 | Very high | 129 Ų | 129 | 59 Ų | 59 | 60% | 0.603 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 112.5 | 177.1 | -168 | 170.1 | -0.6 | 0 | 0 | 108.4 | A172 T173 I175 | Q170-A172 PolarHBondContact O-N 2.86Å; Q170-A172 VanDerWaalsContact O-N 3.14Å; Q170-T173 PolarHBondContact N-O 2.82Å; Q170-T173 PolarHBondContact O-N 2.9Å; Q170-T173 PolarHBondContact O-OG1 3.25Å; Q170-I175 HydrophobicContact CB-CD1 3.85Å |
| 171 | A | 82.1 | Confident | 91.3 | Very high | 95 Ų | 95 | 62.2 Ų | 62.2 | 79% | 0.785 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | -114.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 172 | A | 83.4 | Confident | 91.2 | Very high | 71 Ų | 71 | 61.5 Ų | 61.5 | 59% | 0.587 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 7.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q170 | Q170-A172 PolarHBondContact O-N 2.86Å; Q170-A172 VanDerWaalsContact O-N 3.14Å |
| 173 | T | 85.4 | Confident | 90.8 | Very high | 53 Ų | 53 | 68.1 Ų | 68.1 | 33% | 0.325 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139.4 | -177.1 | 44 | 0 | 0 | 0 | 0 | 111.4 | I136 Q170 | I136-T173 HydrophobicContact CG1-CG2 3.96Å; Q170-T173 PolarHBondContact N-O 2.82Å; Q170-T173 PolarHBondContact O-N 2.9Å; Q170-T173 PolarHBondContact O-OG1 3.25Å |
| 174 | Y | 91.7 | Very high | 90.1 | Very high | 29 Ų | 29 | 65.1 Ų | 65.1 | 11% | 0.114 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133.3 | 173 | -62.2 | -93.6 | 0 | 0 | 0 | 109 | S134 S135 E138 K169 | S134-Y174 CarbonylContact C-O 3.49Å; S134-Y174 WeakPolarHBondContact CA-O 3.42Å; S135-Y174 PolarHBondContact N-O 3.2Å; S135-Y174 PolarHBondContact O-N 2.75Å; E138-Y174 HydrophobicContact CB-CD1 4.19Å; E138-Y174 HydrophobicContact CB-CD2 4.06Å; E138-Y174 HydrophobicContact CB-CE1 3.85Å; E138-Y174 HydrophobicContact CB-CE2 3.76Å; E138-Y174 HydrophobicContact CB-CG 4.28Å; E138-Y174 HydrophobicContact CG-CD1 3.97Å; E138-Y174 HydrophobicContact CG-CE1 3.62Å; E138-Y174 HydrophobicContact CG-CE2 4.46Å; E138-Y174 HydrophobicContact CG-CG 4.49Å; E138-Y174 WeakPolarHBondContact OE2-CE1 3.26Å; E138-Y174 PolarHBondContact OE2-OH 3.13Å; K169-Y174 HydrophobicContact CB-CD1 4.25Å; K169-Y174 HydrophobicContact CB-CE1 4.33Å; K169-Y174 HydrophobicContact CD-CD1 4.39Å; K169-Y174 HydrophobicContact CD-CE1 3.73Å; K169-Y174 HydrophobicContact CG-CD1 4.22Å; K169-Y174 HydrophobicContact CG-CE1 4.06Å; K169-Y174 PolarHBondContact NZ-OH 3.03Å |
| 175 | I | 91.4 | Very high | 89.3 | Confident | 32 Ų | 32 | 65.4 Ų | 65.4 | 16% | 0.164 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.4 | -176.8 | -55.7 | 178.5 | 0 | 0 | 0 | 107.8 | I132 Y133 K168 Q170 | I132-I175 HydrophobicContact CG2-CG2 3.6Å; Y133-I175 CarbonylContact O-C 3.58Å; Y133-I175 WeakPolarHBondContact O-CA 3.5Å; K168-I175 PolarHBondContact N-O 3.41Å; K168-I175 PolarHBondContact O-N 3.44Å; Q170-I175 HydrophobicContact CB-CD1 3.85Å |
| 176 | Y | 94.2 | Very high | 88.9 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.3 | -177.7 | -63.1 | -83.2 | 0 | 0 | 0 | 109.5 | I132 Y133 E138 A141 L164 D166 K167 | I132-Y176 WeakPolarHBondContact CA-O 3.44Å; Y133-Y176 AromaticContact CD1-CD2 3.5Å; Y133-Y176 HydrophobicContact CD1-CD2 3.5Å; Y133-Y176 HydrophobicContact CD1-CE2 4.35Å; Y133-Y176 HydrophobicContact CD1-CG 4.1Å; Y133-Y176 AromaticContact CE1-CD2 3.92Å; Y133-Y176 HydrophobicContact CE1-CD2 3.92Å; Y133-Y176 HydrophobicContact CE1-CE2 4.33Å; Y133-Y176 PolarHBondContact N-O 2.77Å; Y133-Y176 PolarHBondContact O-N 2.91Å; E138-Y176 PolarHBondContact O-OH 2.99Å; A141-Y176 HydrophobicContact CB-CD1 3.68Å; A141-Y176 HydrophobicContact CB-CD2 4.13Å; A141-Y176 HydrophobicContact CB-CE1 3.64Å; A141-Y176 HydrophobicContact CB-CE2 4.08Å; A141-Y176 HydrophobicContact CB-CG 3.94Å; L164-Y176 HydrophobicContact CD1-CD1 3.85Å; L164-Y176 HydrophobicContact CD1-CG 4.33Å; L164-Y176 HydrophobicContact CD2-CD1 4.22Å; D166-Y176 WeakPolarHBondContact O-CA 3.29Å; K167-Y176 HydrophobicContact CB-CD1 4.05Å; K167-Y176 HydrophobicContact CB-CE1 4Å; K167-Y176 HydrophobicContact CD-CD1 4.5Å; K167-Y176 HydrophobicContact CD-CE1 3.61Å; K167-Y176 VanDerWaalsContact CE-OH 3.31Å; K167-Y176 WeakPolarHBondContact CE-OH 3.31Å; K167-Y176 HydrophobicContact CG-CD1 3.98Å; K167-Y176 HydrophobicContact CG-CE1 3.45Å; K167-Y176 VanDerWaalsContact CG-CE1 3.45Å |
| 177 | T | 94.7 | Very high | 88.5 | Confident | 25 Ų | 25 | 59.7 Ų | 59.7 | 15% | 0.153 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 116.3 | 174.8 | -54.9 | 0 | 0 | 0 | 0 | 109.8 | T130 V165 D166 | T130-T177 HydrophobicContact CG2-CG2 3.77Å; V165-T177 PolarHBondContact N-O 3.5Å; D166-T177 PolarHBondContact O-N 3.4Å |
| 178 | F | 95.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 142 | 174 | -71.4 | -79 | 0 | 0 | 0 | 111.1 | T130 L131 Y133 A141 R145 A162 K163 L164 L180 | T130-F178 WeakPolarHBondContact CA-O 3.31Å; L131-F178 HydrophobicContact CB-CB 4.42Å; L131-F178 HydrophobicContact CD2-CB 4.39Å; L131-F178 HydrophobicContact CD2-CD2 4.12Å; L131-F178 PolarHBondContact N-O 3.23Å; L131-F178 PolarHBondContact O-N 3.11Å; Y133-F178 HydrophobicContact CD1-CE2 4.32Å; A141-F178 HydrophobicContact CB-CZ 4.31Å; A141-F178 WeakPolarHBondContact O-CZ 3.32Å; R145-F178 HydrophobicContact CB-CE1 3.94Å; R145-F178 HydrophobicContact CB-CZ 4.2Å; R145-F178 HydrophobicContact CG-CE1 4.01Å; A162-F178 HydrophobicContact CB-CD1 4.49Å; K163-F178 CarbonylContact O-C 3.56Å; K163-F178 WeakPolarHBondContact O-CA 3.31Å; L164-F178 HydrophobicContact CB-CD1 4.15Å; L164-F178 HydrophobicContact CB-CE1 3.8Å; L164-F178 HydrophobicContact CD1-CD1 4.23Å; L164-F178 HydrophobicContact CD1-CE1 3.88Å; L164-F178 HydrophobicContact CD1-CE2 4.25Å; L164-F178 HydrophobicContact CD1-CZ 3.89Å; L164-F178 HydrophobicContact CG-CE1 4.38Å; F178-L180 HydrophobicContact CB-CD2 4.46Å |
| 179 | K | 95.1 | Very high | 87.3 | Confident | 74 Ų | 74 | 55.3 Ų | 55.3 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119.3 | 163.2 | -74.6 | -176 | -173.9 | 179.4 | 0 | 108.8 | V128 I129 K163 V165 Y181 | V128-K179 HydrophobicContact CG1-CB 3.79Å; V128-K179 HydrophobicContact CG1-CD 4.11Å; V128-K179 HydrophobicContact CG1-CG 3.89Å; I129-K179 WeakPolarHBondContact O-CA 3.36Å; K163-K179 PolarHBondContact N-O 3.21Å; K163-K179 PolarHBondContact O-N 3.34Å; V165-K179 HydrophobicContact CG2-CB 4Å; V165-K179 HydrophobicContact CG2-CD 3.74Å; V165-K179 HydrophobicContact CG2-CG 3.68Å; K179-Y181 HydrophobicContact CB-CE2 3.66Å; K179-Y181 WeakPolarHBondContact O-CD2 3.35Å; K179-Y181 WeakPolarHBondContact O-CE2 3.28Å |
| 180 | L | 94.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 128.5 | 178.4 | -49.7 | 178.3 | 0 | 0 | 0 | 109.6 | Y93 L97 V128 I129 L131 L148 V160 S161 A162 F178 W187 | Y93-L180 HydrophobicContact CE1-CD1 4.19Å; L97-L180 HydrophobicContact CD1-CD1 3.8Å; L97-L180 HydrophobicContact CD2-CD1 4.46Å; V128-L180 WeakPolarHBondContact CA-O 3.37Å; I129-L180 HydrophobicContact CB-CB 4.2Å; I129-L180 HydrophobicContact CB-CD1 4.47Å; I129-L180 HydrophobicContact CG2-CD1 4.44Å; I129-L180 PolarHBondContact N-O 3.49Å; I129-L180 PolarHBondContact O-N 3.3Å; L131-L180 HydrophobicContact CD1-CD1 4.25Å; L148-L180 HydrophobicContact CD1-CD2 4.37Å; V160-L180 HydrophobicContact CG1-CB 4.18Å; S161-L180 CarbonylContact O-C 3.6Å; S161-L180 WeakPolarHBondContact O-CA 3.45Å; A162-L180 HydrophobicContact CB-CD2 3.37Å; F178-L180 HydrophobicContact CB-CD2 4.46Å; L180-W187 HydrophobicContact CB-CZ2 4.45Å; L180-W187 PolarHBondContact O-NE1 2.95Å |
| 181 | Y | 92.9 | Very high | 86.4 | Confident | 72 Ų | 72 | 47 Ų | 47 | 28% | 0.282 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.3 | 178.7 | -55.4 | -98 | 0 | 0 | 0 | 108.9 | V128 V160 S161 K163 K179 | V128-Y181 HydrophobicContact CB-CE1 4.41Å; V128-Y181 HydrophobicContact CG1-CE1 4.27Å; V128-Y181 HydrophobicContact CG2-CD1 3.66Å; V128-Y181 HydrophobicContact CG2-CE1 3.33Å; V160-Y181 CarbonylContact C-O 3.28Å; V160-Y181 WeakPolarHBondContact CA-O 3.25Å; S161-Y181 PolarHBondContact N-O 3.48Å; S161-Y181 PolarHBondContact O-N 2.78Å; S161-Y181 PolarHBondContact OG-O 3.2Å; K163-Y181 HydrophobicContact CB-CE2 4.19Å; K163-Y181 HydrophobicContact CD-CD2 4.39Å; K163-Y181 HydrophobicContact CD-CE2 3.79Å; K163-Y181 HydrophobicContact CG-CD2 4.38Å; K163-Y181 HydrophobicContact CG-CE2 4.02Å; K179-Y181 HydrophobicContact CB-CE2 3.66Å; K179-Y181 WeakPolarHBondContact O-CD2 3.35Å; K179-Y181 WeakPolarHBondContact O-CE2 3.28Å |
| 182 | N | 90.3 | Very high | 86 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.9 | 169.1 | -171.5 | 10.7 | 0 | 0 | 0 | 109.2 | D159 G184 L185 W187 | D159-N182 PolarHBondContact O-OD1 3.42Å; N182-G184 VanDerWaalsContact C-N 3.28Å; N182-G184 PolarHBondContact OD1-N 3.44Å; N182-G184 VanDerWaalsContact OD1-N 3.16Å; N182-L185 PolarHBondContact ND2-O 3.47Å; N182-W187 HydrophobicContact CB-CD2 4.39Å; N182-W187 HydrophobicContact CB-CH2 4.11Å; N182-W187 HydrophobicContact CB-CZ2 3.78Å |
| 183 | K | 84.6 | Confident | 85.5 | Confident | 140 Ų | 140 | 48.9 Ų | 48.9 | 61% | 0.609 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -75.9 | -19.3 | 174 | -61.4 | -163.4 | -157.3 | 125.3 | 0 | 113 | D159 | D159-K183 HydrophobicContact CB-CB 4.29Å; D159-K183 PolarHBondContact O-N 3.38Å; D159-K183 IonicContact OD1-NZ 3.93Å; D159-K183 PolarHBondContact OD1-NZ 3.35Å; D159-K183 WeakPolarHBondContact OD2-CD 3.41Å; D159-K183 IonicContact OD2-NZ 3.08Å; D159-K183 PolarHBondContact OD2-NZ 3.33Å |
| 184 | G | 80.4 | Confident | 84.7 | Confident | 58 Ų | 58 | 49.8 Ų | 49.8 | 60% | 0.598 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -85.5 | -129.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N182 | N182-G184 VanDerWaalsContact C-N 3.28Å; N182-G184 PolarHBondContact OD1-N 3.44Å; N182-G184 VanDerWaalsContact OD1-N 3.16Å |
| 185 | L | 77 | Confident | 83.5 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 36% | 0.356 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -64.1 | 154.9 | 179.3 | -65.6 | 167.7 | 0 | 0 | 0 | 112.2 | N182 E189 L190 K193 | N182-L185 PolarHBondContact ND2-O 3.47Å; L185-E189 HydrophobicContact CB-CB 4.41Å; L185-E189 WeakPolarHBondContact CD2-OE2 3.43Å; L185-L190 HydrophobicContact CB-CD2 4.38Å; L185-L190 HydrophobicContact CB-CG 4.15Å; L185-L190 HydrophobicContact CD1-CD2 4.12Å; L185-K193 HydrophobicContact CD1-CD 4.36Å |
| 186 | S | 83 | Confident | 82.1 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | trans | -62.9 | 152 | 171.8 | 93.9 | 0 | 0 | 0 | 0 | 110 | H126 I188 E189 L190 | H126-S186 CarbonylContact O-C 3.6Å; H126-S186 WeakPolarHBondContact O-CA 3.44Å; H126-S186 WeakPolarHBondContact O-CB 3.46Å; S186-I188 PolarHBondContact O-N 2.84Å; S186-E189 PolarHBondContact N-OE2 3.34Å; S186-E189 PolarHBondContact O-N 2.93Å; S186-E189 WeakPolarHBondContact OG-CB 3.42Å; S186-E189 VanDerWaalsContact OG-CG 3.24Å; S186-E189 WeakPolarHBondContact OG-CG 3.25Å; S186-E189 PolarHBondContact OG-N 3.5Å; S186-L190 PolarHBondContact O-N 2.88Å; S186-L190 VanDerWaalsContact O-N 3.09Å | ||
| 187 | W | 84.2 | Confident | 80.4 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.6 | -33.6 | 178.4 | -65.8 | 116.8 | 0 | 0 | 0 | 112 | Y93 I94 I124 H126 N127 I129 L158 V160 L180 N182 L190 L191 | Y93-W187 AromaticContact CD1-CH2 3.57Å; Y93-W187 HydrophobicContact CD1-CH2 3.57Å; Y93-W187 AromaticContact CD1-CZ3 3.72Å; Y93-W187 HydrophobicContact CD1-CZ3 3.72Å; Y93-W187 AromaticContact CE1-CH2 3.9Å; Y93-W187 HydrophobicContact CE1-CH2 3.9Å; Y93-W187 HydrophobicContact CE1-CZ3 4.48Å; I94-W187 HydrophobicContact CD1-CB 4.44Å; I94-W187 HydrophobicContact CD1-CE3 4.19Å; I94-W187 HydrophobicContact CG1-CE3 4.3Å; I124-W187 HydrophobicContact CG2-CB 4.25Å; H126-W187 PolarHBondContact O-N 3.44Å; N127-W187 VanDerWaalsContact C-CD1 3.4Å; N127-W187 PolarHBondContact O-NE1 3.5Å; I129-W187 HydrophobicContact CD1-CD2 3.49Å; I129-W187 VanDerWaalsContact CD1-CD2 3.49Å; I129-W187 HydrophobicContact CD1-CE3 3.71Å; I129-W187 HydrophobicContact CD1-CG 4.02Å; I129-W187 HydrophobicContact CD1-CH2 3.95Å; I129-W187 HydrophobicContact CD1-CZ2 3.75Å; I129-W187 HydrophobicContact CD1-CZ3 3.94Å; I129-W187 HydrophobicContact CG1-CD2 3.88Å; I129-W187 HydrophobicContact CG1-CG 3.92Å; I129-W187 HydrophobicContact CG1-CZ2 4.32Å; L158-W187 HydrophobicContact CD1-CH2 4.49Å; L158-W187 HydrophobicContact CD1-CZ3 4.1Å; V160-W187 HydrophobicContact CG1-CZ2 4.47Å; V160-W187 HydrophobicContact CG2-CH2 3.79Å; V160-W187 HydrophobicContact CG2-CZ2 4.36Å; L180-W187 HydrophobicContact CB-CZ2 4.45Å; L180-W187 PolarHBondContact O-NE1 2.95Å; N182-W187 HydrophobicContact CB-CD2 4.39Å; N182-W187 HydrophobicContact CB-CH2 4.11Å; N182-W187 HydrophobicContact CB-CZ2 3.78Å; W187-L190 HydrophobicContact CE3-CD1 3.99Å; W187-L190 HydrophobicContact CZ3-CD1 4.26Å; W187-L190 PolarHBondContact O-N 3.49Å; W187-L191 WeakPolarHBondContact O-CG 3.36Å; W187-L191 PolarHBondContact O-N 3.06Å; W187-L191 VanDerWaalsContact O-N 3.09Å |
| 188 | I | 80 | Confident | 78.5 | Confident | 53 Ų | 53 | 66.8 Ų | 66.8 | 27% | 0.272 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72.8 | -39 | 178.2 | -72.2 | 174.9 | 0 | 0 | 0 | 110.8 | H126 S186 L190 L191 D192 | H126-I188 HydrophobicContact CB-CD1 4.33Å; H126-I188 WeakPolarHBondContact ND1-CD1 3.34Å; S186-I188 PolarHBondContact O-N 2.84Å; I188-L190 VanDerWaalsContact C-N 3.27Å; I188-L190 PolarHBondContact O-N 3.07Å; I188-L191 PolarHBondContact O-N 2.91Å; I188-D192 WeakPolarHBondContact O-CB 3.32Å; I188-D192 PolarHBondContact O-N 3.17Å |
| 189 | E | 78.9 | Confident | 76.5 | Confident | 87 Ų | 87 | 74.3 Ų | 74.3 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.5 | -35 | 173.5 | -74.2 | 168.5 | 172.4 | 0 | 0 | 112.3 | L185 S186 K193 | L185-E189 HydrophobicContact CB-CB 4.41Å; L185-E189 WeakPolarHBondContact CD2-OE2 3.43Å; S186-E189 PolarHBondContact N-OE2 3.34Å; S186-E189 PolarHBondContact O-N 2.93Å; S186-E189 WeakPolarHBondContact OG-CB 3.42Å; S186-E189 VanDerWaalsContact OG-CG 3.24Å; S186-E189 WeakPolarHBondContact OG-CG 3.25Å; S186-E189 PolarHBondContact OG-N 3.5Å; E189-K193 WeakPolarHBondContact O-CG 3.5Å; E189-K193 PolarHBondContact O-N 3.43Å |
| 190 | L | 77.8 | Confident | 74.5 | Confident | 40 Ų | 40 | 77 Ų | 77 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.9 | -47.1 | 173.4 | -74.6 | 170.2 | 0 | 0 | 0 | 111.5 | L158 L185 S186 W187 I188 D192 K193 D194 | L158-L190 HydrophobicContact CD2-CD1 4.15Å; L185-L190 HydrophobicContact CB-CD2 4.38Å; L185-L190 HydrophobicContact CB-CG 4.15Å; L185-L190 HydrophobicContact CD1-CD2 4.12Å; S186-L190 PolarHBondContact O-N 2.88Å; S186-L190 VanDerWaalsContact O-N 3.09Å; W187-L190 HydrophobicContact CE3-CD1 3.99Å; W187-L190 HydrophobicContact CZ3-CD1 4.26Å; W187-L190 PolarHBondContact O-N 3.49Å; I188-L190 VanDerWaalsContact C-N 3.27Å; I188-L190 PolarHBondContact O-N 3.07Å; L190-D192 VanDerWaalsContact C-N 3.35Å; L190-D192 PolarHBondContact O-N 3.37Å; L190-K193 PolarHBondContact O-N 3.28Å; L190-D194 PolarHBondContact O-N 3.49Å |
| 191 | L | 76.6 | Confident | 72.7 | Confident | 48 Ų | 48 | 83.4 Ų | 83.4 | 25% | 0.251 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 175.9 | -75.9 | 160.3 | 0 | 0 | 0 | 112.4 | I94 I124 W187 I188 D194 N195 | I94-L191 HydrophobicContact CD1-CD1 3.73Å; I94-L191 HydrophobicContact CD1-CD2 4.01Å; I94-L191 HydrophobicContact CD1-CG 3.76Å; I124-L191 HydrophobicContact CG2-CD1 4.34Å; W187-L191 WeakPolarHBondContact O-CG 3.36Å; W187-L191 PolarHBondContact O-N 3.06Å; W187-L191 VanDerWaalsContact O-N 3.09Å; I188-L191 PolarHBondContact O-N 2.91Å; L191-D194 PolarHBondContact O-N 3.32Å; L191-N195 WeakPolarHBondContact O-CB 3.33Å; L191-N195 PolarHBondContact O-N 3.06Å; L191-N195 PolarHBondContact O-ND2 3.31Å |
| 192 | D | 74.5 | Confident | 70.7 | Confident | 85 Ų | 85 | 83.5 Ų | 83.5 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 179.4 | -83.2 | -18.2 | 0 | 0 | 0 | 112.2 | I188 L190 D194 N195 Q196 | I188-D192 WeakPolarHBondContact O-CB 3.32Å; I188-D192 PolarHBondContact O-N 3.17Å; L190-D192 VanDerWaalsContact C-N 3.35Å; L190-D192 PolarHBondContact O-N 3.37Å; D192-D194 VanDerWaalsContact C-N 3.32Å; D192-D194 PolarHBondContact O-N 3.38Å; D192-N195 PolarHBondContact O-N 3.23Å; D192-Q196 WeakPolarHBondContact O-CB 3.32Å; D192-Q196 WeakPolarHBondContact O-CG 3.44Å; D192-Q196 PolarHBondContact O-N 3.28Å |
| 193 | K | 71.7 | Confident | 68.9 | Low | 120 Ų | 120 | 89.9 Ų | 89.9 | 52% | 0.522 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 173.4 | -81.5 | -179.3 | 177.5 | -173.5 | 0 | 111.8 | L185 E189 L190 | L185-K193 HydrophobicContact CD1-CD 4.36Å; E189-K193 WeakPolarHBondContact O-CG 3.5Å; E189-K193 PolarHBondContact O-N 3.43Å; L190-K193 PolarHBondContact O-N 3.28Å |
| 194 | D | 68.2 | Low | 67.4 | Low | 73 Ų | 73 | 90.3 Ų | 90.3 | 39% | 0.39 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 177 | -71.8 | -12.9 | 0 | 0 | 0 | 111.3 | N92 L190 L191 D192 L197 | N92-D194 WeakPolarHBondContact CB-OD2 3.5Å; N92-D194 PolarHBondContact ND2-OD2 2.83Å; L190-D194 PolarHBondContact O-N 3.49Å; L191-D194 PolarHBondContact O-N 3.32Å; D192-D194 VanDerWaalsContact C-N 3.32Å; D192-D194 PolarHBondContact O-N 3.38Å; D194-L197 WeakPolarHBondContact O-CB 3.39Å; D194-L197 PolarHBondContact O-N 2.81Å |
| 195 | N | 67.4 | Low | 66.2 | Low | 82 Ų | 82 | 93.5 Ų | 93.5 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.9 | -32.8 | 179.2 | -75.3 | -30.3 | 0 | 0 | 0 | 114 | L191 D192 L197 N198 K199 | L191-N195 WeakPolarHBondContact O-CB 3.33Å; L191-N195 PolarHBondContact O-N 3.06Å; L191-N195 PolarHBondContact O-ND2 3.31Å; D192-N195 PolarHBondContact O-N 3.23Å; N195-L197 PolarHBondContact O-N 2.82Å; N195-N198 WeakPolarHBondContact O-CB 3.38Å; N195-N198 PolarHBondContact O-N 3.43Å; N195-K199 PolarHBondContact O-N 3.43Å; N195-K199 VanDerWaalsContact O-N 3.16Å |
| 196 | Q | 61.4 | Low | 65.3 | Low | 128 Ų | 128 | 97 Ų | 97 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.1 | -32.2 | 177 | -80.9 | -176.7 | 13.2 | 0 | 0 | 112.1 | D192 N198 K199 | D192-Q196 WeakPolarHBondContact O-CB 3.32Å; D192-Q196 WeakPolarHBondContact O-CG 3.44Å; D192-Q196 PolarHBondContact O-N 3.28Å; Q196-N198 PolarHBondContact O-N 2.99Å; Q196-K199 PolarHBondContact O-N 2.83Å |
| 197 | L | 58.6 | Low | 64.3 | Low | 137 Ų | 137 | 102.1 Ų | 102.1 | 72% | 0.717 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.7 | -35.2 | 174.1 | -144.9 | 84.5 | 0 | 0 | 0 | 111.6 | D194 N195 | D194-L197 WeakPolarHBondContact O-CB 3.39Å; D194-L197 PolarHBondContact O-N 2.81Å; N195-L197 PolarHBondContact O-N 2.82Å |
| 198 | N | 55.4 | Low | 63.7 | Low | 99 Ų | 99 | 109.3 Ų | 109.3 | 53% | 0.529 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -79.9 | -31.3 | -179.8 | -68 | -24.8 | 0 | 0 | 0 | 113.2 | N195 Q196 N200 I201 | N195-N198 WeakPolarHBondContact O-CB 3.38Å; N195-N198 PolarHBondContact O-N 3.43Å; Q196-N198 PolarHBondContact O-N 2.99Å; N198-N200 PolarHBondContact O-N 3.5Å; N198-I201 WeakPolarHBondContact O-CB 3.36Å; N198-I201 PolarHBondContact O-N 3.22Å |
| 199 | K | 53.8 | Low | 63.5 | Low | 159 Ų | 159 | 113 Ų | 113 | 69% | 0.691 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61 | -27.9 | -178.2 | -80.3 | -173.3 | 178 | 177.7 | 0 | 113.6 | N195 Q196 I201 S202 | N195-K199 PolarHBondContact O-N 3.43Å; N195-K199 VanDerWaalsContact O-N 3.16Å; Q196-K199 PolarHBondContact O-N 2.83Å; K199-I201 PolarHBondContact O-N 2.95Å; K199-I201 VanDerWaalsContact O-N 3.14Å; K199-S202 PolarHBondContact O-N 2.85Å |
| 200 | N | 53.6 | Low | 63.7 | Low | 132 Ų | 132 | 114 Ų | 114 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -15.5 | 177 | -70.6 | -22.1 | 0 | 0 | 0 | 113.6 | N198 | N198-N200 PolarHBondContact O-N 3.5Š|
| 201 | I | 55.3 | Low | 64 | Low | 133 Ų | 133 | 115.6 Ų | 115.6 | 68% | 0.682 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -21.5 | 179.8 | -58.6 | 171.7 | 0 | 0 | 0 | 111.7 | N198 K199 L203 | N198-I201 WeakPolarHBondContact O-CB 3.36Å; N198-I201 PolarHBondContact O-N 3.22Å; K199-I201 PolarHBondContact O-N 2.95Å; K199-I201 VanDerWaalsContact O-N 3.14Å; I201-L203 PolarHBondContact O-N 2.81Å |
| 202 | S | 51.2 | Low | 64.3 | Low | 75 Ų | 75 | 117.6 Ų | 117.6 | 52% | 0.524 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.2 | 8.9 | -172.7 | -153.5 | 0 | 0 | 0 | 0 | 115 | K199 L204 | K199-S202 PolarHBondContact O-N 2.85Å; S202-L204 PolarHBondContact O-N 2.86Å; S202-L204 VanDerWaalsContact O-N 3.12Å |
| 203 | L | 52.4 | Low | 64.7 | Low | 157 Ų | 157 | 121.5 Ų | 121.5 | 82% | 0.822 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 5.3 | -177.6 | -96.4 | 166.9 | 0 | 0 | 0 | 114.8 | I201 | I201-L203 PolarHBondContact O-N 2.81Š|
| 204 | L | 53.7 | Low | 65.4 | Low | 148 Ų | 148 | 120.5 Ų | 120.5 | 78% | 0.775 | 63% | 0.631 | S | S | * | * | trans | -126.8 | 67.5 | 176 | -73.5 | 157.8 | 0 | 0 | 0 | 109.4 | S202 L206 | S202-L204 PolarHBondContact O-N 2.86Å; S202-L204 VanDerWaalsContact O-N 3.12Å; L204-L206 PolarHBondContact O-N 3.34Å | ||
| 205 | D | 55.1 | Low | 66.3 | Low | 126 Ų | 126 | 120.9 Ų | 120.9 | 67% | 0.674 | 63% | 0.63 | S | S | * | * | trans | -66.6 | 64 | 169.7 | -78 | -22.3 | 0 | 0 | 0 | 111 | T207 | D205-T207 PolarHBondContact O-N 3.23Š| ||
| 206 | L | 58.9 | Low | 67.2 | Low | 141 Ų | 141 | 117.4 Ų | 117.4 | 74% | 0.738 | 61% | 0.611 | S | S | * | * | trans | -80.7 | 83.1 | 157.3 | -73.9 | 165.7 | 0 | 0 | 0 | 106.2 | L204 I208 | L204-L206 PolarHBondContact O-N 3.34Å; L206-I208 PolarHBondContact O-N 2.8Å | ||
| 207 | T | 62.3 | Low | 68.4 | Low | 120 Ų | 120 | 113.9 Ų | 113.9 | 74% | 0.736 | 61% | 0.609 | S | S | * | * | trans | -68.4 | 80.8 | 175.1 | 42.4 | 0 | 0 | 0 | 0 | 109.7 | D205 T209 | D205-T207 PolarHBondContact O-N 3.23Å; T207-T209 PolarHBondContact O-N 3.48Å | ||
| 208 | I | 71.1 | Confident | 69.7 | Low | 152 Ų | 152 | 112 Ų | 112 | 78% | 0.779 | 60% | 0.598 | S | S | * | * | trans | -70.6 | 113.2 | 170.7 | -60.8 | 171.9 | 0 | 0 | 0 | 106.8 | L206 | L206-I208 PolarHBondContact O-N 2.8Š| ||
| 209 | T | 76.5 | Confident | 71.3 | Confident | 131 Ų | 131 | 108.8 Ų | 108.8 | 80% | 0.804 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 120.8 | 174.4 | 51 | 0 | 0 | 0 | 0 | 109.5 | T207 | T207-T209 PolarHBondContact O-N 3.48Š|
| 210 | L | 81.1 | Confident | 73 | Confident | 107 Ų | 107 | 102 Ų | 102 | 56% | 0.56 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 128.3 | 174.3 | -174.3 | 68.2 | 0 | 0 | 0 | 108.6 | E214 F215 | L210-E214 HydrophobicContact CD1-CB 4.11Å; L210-E214 HydrophobicContact CG-CB 4.43Å; L210-F215 HydrophobicContact CD2-CB 3.73Å; L210-F215 HydrophobicContact CD2-CD2 3.94Å; L210-F215 HydrophobicContact CD2-CG 4.32Å; L210-F215 HydrophobicContact CG-CB 4.24Å |
| 211 | P | 85 | Confident | 74.8 | Confident | 74 Ų | 74 | 95.8 Ų | 95.8 | 48% | 0.481 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 148.3 | 179.6 | 1.7 | 11.2 | 0 | 0 | 0 | 111.4 | K213 E214 F215 | P211-K213 PolarHBondContact O-N 3.07Å; P211-E214 WeakPolarHBondContact CB-OE2 3.45Å; P211-E214 WeakPolarHBondContact CG-OE2 3.36Å; P211-E214 PolarHBondContact O-N 3.26Å; P211-F215 PolarHBondContact O-N 3.47Å |
| 212 | E | 83.4 | Confident | 76.6 | Confident | 91 Ų | 91 | 89.9 Ų | 89.9 | 43% | 0.425 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -55.2 | -38.7 | -171.6 | -176.6 | -163.8 | 177.2 | 0 | 0 | 112.5 | F215 L216 R233 | E212-F215 PolarHBondContact O-N 3.17Å; E212-L216 HydrophobicContact CG-CD1 3.85Å; E212-L216 HydrophobicContact CG-CG 4.35Å; E212-L216 WeakPolarHBondContact O-CB 3.2Å; E212-L216 PolarHBondContact O-N 3.38Å; E212-R233 IonicContact OE1-CZ 3.75Å; E212-R233 IonicContact OE1-NE 3.13Å; E212-R233 PolarHBondContact OE1-NE 3.32Å; E212-R233 IonicContact OE1-NH2 2.86Å; E212-R233 PolarHBondContact OE1-NH2 3.47Å; E212-R233 IonicContact OE2-CZ 3.61Å; E212-R233 IonicContact OE2-NH2 3.28Å; E212-R233 PolarHBondContact OE2-NH2 2.8Å |
| 213 | K | 83.4 | Confident | 78.7 | Confident | 166 Ų | 166 | 86.3 Ų | 86.3 | 72% | 0.722 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.5 | -41.9 | -175.5 | -172.4 | -178.5 | 176.7 | -174 | 0 | 111.4 | P211 G217 | P211-K213 PolarHBondContact O-N 3.07Å; K213-G217 WeakPolarHBondContact O-CA 3.06Å; K213-G217 PolarHBondContact O-N 3.32Å |
| 214 | E | 85.7 | Confident | 80.7 | Confident | 99 Ų | 99 | 79.1 Ų | 79.1 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.8 | -48.7 | 174.9 | -69.8 | 73.8 | -165.4 | 0 | 0 | 109.7 | L210 P211 G217 M218 | L210-E214 HydrophobicContact CD1-CB 4.11Å; L210-E214 HydrophobicContact CG-CB 4.43Å; P211-E214 WeakPolarHBondContact CB-OE2 3.45Å; P211-E214 WeakPolarHBondContact CG-OE2 3.36Å; P211-E214 PolarHBondContact O-N 3.26Å; E214-G217 PolarHBondContact O-N 2.88Å; E214-M218 WeakPolarHBondContact O-CG 3.18Å; E214-M218 PolarHBondContact O-N 2.92Å |
| 215 | F | 87.2 | Confident | 82.6 | Confident | 81 Ų | 81 | 72 Ų | 72 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.5 | -56.2 | -179.8 | 178.8 | -110.1 | 0 | 0 | 0 | 113 | L210 P211 E212 G217 M218 L219 W312 | L210-F215 HydrophobicContact CD2-CB 3.73Å; L210-F215 HydrophobicContact CD2-CD2 3.94Å; L210-F215 HydrophobicContact CD2-CG 4.32Å; L210-F215 HydrophobicContact CG-CB 4.24Å; P211-F215 PolarHBondContact O-N 3.47Å; E212-F215 PolarHBondContact O-N 3.17Å; F215-G217 PolarHBondContact O-N 3.12Å; F215-M218 WeakPolarHBondContact O-CB 3.39Å; F215-M218 PolarHBondContact O-N 2.77Å; F215-L219 HydrophobicContact CE1-CD1 4.38Å; F215-L219 HydrophobicContact CZ-CD1 4.32Å; F215-W312 HydrophobicContact CE1-CH2 4.4Å |
| 216 | L | 87.1 | Confident | 84.4 | Confident | 9 Ų | 9 | 67.2 Ų | 67.2 | 5% | 0.047 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.4 | -24 | 180 | -66.7 | -179.7 | 0 | 0 | 0 | 112.3 | E212 M218 L219 H222 L316 | E212-L216 HydrophobicContact CG-CD1 3.85Å; E212-L216 HydrophobicContact CG-CG 4.35Å; E212-L216 WeakPolarHBondContact O-CB 3.2Å; E212-L216 PolarHBondContact O-N 3.38Å; L216-M218 PolarHBondContact O-N 3.22Å; L216-L219 PolarHBondContact O-N 3.23Å; L216-H222 PolarHBondContact O-CE1 3.2Å; L216-H222 PolarHBondContact O-ND1 3.38Å; L216-L316 HydrophobicContact CD2-CD1 4.32Å |
| 217 | G | 85.6 | Confident | 85.8 | Confident | 54 Ų | 54 | 65.7 Ų | 65.7 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.9 | -26.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K213 E214 F215 L219 | K213-G217 WeakPolarHBondContact O-CA 3.06Å; K213-G217 PolarHBondContact O-N 3.32Å; E214-G217 PolarHBondContact O-N 2.88Å; F215-G217 PolarHBondContact O-N 3.12Å; G217-L219 PolarHBondContact O-N 3Å |
| 218 | M | 85 | Confident | 87.2 | Confident | 99 Ų | 99 | 66 Ų | 66 | 49% | 0.488 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -13.5 | 174.9 | -57 | -60.2 | -69.8 | 0 | 0 | 113.2 | E214 F215 L216 P220 F342 | E214-M218 WeakPolarHBondContact O-CG 3.18Å; E214-M218 PolarHBondContact O-N 2.92Å; F215-M218 WeakPolarHBondContact O-CB 3.39Å; F215-M218 PolarHBondContact O-N 2.77Å; L216-M218 PolarHBondContact O-N 3.22Å; M218-P220 VanDerWaalsContact O-CD 3.25Å; M218-P220 WeakPolarHBondContact O-CD 3.05Å; M218-F342 HydrophobicContact CE-CE2 3.46Å; M218-F342 VanDerWaalsContact CE-CE2 3.46Å; M218-F342 HydrophobicContact CE-CZ 3.38Å |
| 219 | L | 89.5 | Confident | 88.1 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | trans | -114.4 | 82.1 | -173.3 | -58.8 | 174.8 | 0 | 0 | 0 | 110 | F215 L216 G217 F221 H222 I318 | F215-L219 HydrophobicContact CE1-CD1 4.38Å; F215-L219 HydrophobicContact CZ-CD1 4.32Å; L216-L219 PolarHBondContact O-N 3.23Å; G217-L219 PolarHBondContact O-N 3Å; L219-F221 PolarHBondContact O-N 2.71Å; L219-F221 VanDerWaalsContact O-N 3.15Å; L219-H222 HydrophobicContact CB-CB 4.15Å; L219-H222 PolarHBondContact O-ND1 2.89Å; L219-I318 HydrophobicContact CD1-CD1 3.92Å; L219-I318 HydrophobicContact CD1-CG1 4.38Å; L219-I318 HydrophobicContact CD2-CG2 4.33Å | ||
| 220 | P | 89.1 | Confident | 89 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.8 | -177.1 | 20.2 | -33 | 0 | 0 | 0 | 113.8 | M218 G235 T236 G237 N340 | M218-P220 VanDerWaalsContact O-CD 3.25Å; M218-P220 WeakPolarHBondContact O-CD 3.05Å; P220-G235 CarbonylContact O-C 3.35Å; P220-G235 WeakPolarHBondContact O-CA 2.78Å; P220-T236 PolarHBondContact O-N 2.82Å; P220-G237 WeakPolarHBondContact O-CA 3.47Å; P220-G237 PolarHBondContact O-N 3.35Å; P220-N340 WeakPolarHBondContact CD-OD1 3.37Å; P220-N340 WeakPolarHBondContact CG-OD1 3.49Å |
| 221 | F | 92.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 62.7 | 179.7 | -64.1 | -75.9 | 0 | 0 | 0 | 112.4 | L219 G237 F238 L241 F302 G319 P321 L334 D338 L339 | L219-F221 PolarHBondContact O-N 2.71Å; L219-F221 VanDerWaalsContact O-N 3.15Å; F221-G237 VanDerWaalsContact CE1-C 3.42Å; F221-F238 VanDerWaalsContact C-CE2 3.44Å; F221-F238 HydrophobicContact CB-CD2 4.4Å; F221-F238 HydrophobicContact CB-CE2 3.98Å; F221-F238 HydrophobicContact CB-CZ 4.48Å; F221-F238 HydrophobicContact CD1-CD2 4.29Å; F221-F238 HydrophobicContact CD1-CE2 4.35Å; F221-F238 HydrophobicContact CD1-CG 4.37Å; F221-F238 HydrophobicContact CD1-CZ 4.49Å; F221-L241 HydrophobicContact CE1-CD1 4.41Å; F221-F302 HydrophobicContact CD1-CD1 4Å; F221-F302 AromaticContact CD1-CE1 3.49Å; F221-F302 HydrophobicContact CD1-CE1 3.49Å; F221-F302 VanDerWaalsContact CD1-CE1 3.49Å; F221-F302 HydrophobicContact CE1-CD1 4.48Å; F221-F302 AromaticContact CE1-CE1 3.62Å; F221-F302 HydrophobicContact CE1-CE1 3.62Å; F221-F302 HydrophobicContact CE1-CZ 4.45Å; F221-F302 HydrophobicContact CG-CE1 4.43Å; F221-G319 VanDerWaalsContact CB-O 3.22Å; F221-G319 WeakPolarHBondContact CB-O 3.3Å; F221-G319 PolarHBondContact O-N 2.9Å; F221-G319 VanDerWaalsContact O-N 3.12Å; F221-P321 HydrophobicContact CD2-CG 4.42Å; F221-P321 HydrophobicContact CE1-CG 4.38Å; F221-P321 HydrophobicContact CE2-CG 3.89Å; F221-P321 HydrophobicContact CZ-CG 3.86Å; F221-L334 HydrophobicContact CZ-CD1 4.42Å; F221-L334 HydrophobicContact CZ-CD2 4.41Å; F221-D338 WeakPolarHBondContact CE2-O 3.22Å; F221-L339 HydrophobicContact CE2-CD2 4.15Å |
| 222 | H | 93.7 | Very high | 89.8 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 152.3 | 171.1 | 76.2 | -90.3 | 0 | 0 | 0 | 113.2 | L216 L219 G235 F238 L316 F317 | L216-H222 PolarHBondContact O-CE1 3.2Å; L216-H222 PolarHBondContact O-ND1 3.38Å; L219-H222 HydrophobicContact CB-CB 4.15Å; L219-H222 PolarHBondContact O-ND1 2.89Å; H222-G235 WeakPolarHBondContact CE1-CA 3.49Å; H222-G235 WeakPolarHBondContact ND1-CA 3.48Å; H222-G235 PolarHBondContact O-N 3.16Å; H222-F238 WeakPolarHBondContact O-CD2 3.39Å; H222-L316 HydrophobicContact CB-CD1 4.16Å; H222-F317 CarbonylContact C-O 3.6Å; H222-F317 WeakPolarHBondContact CA-O 3.48Å |
| 223 | L | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 130.9 | 167.9 | -53.3 | 169.5 | 0 | 0 | 0 | 109.4 | L225 L231 V234 F238 F250 F254 I278 L316 F317 | L223-L225 HydrophobicContact CB-CD1 4.28Å; L223-L231 HydrophobicContact CB-CD2 4.02Å; L223-L231 HydrophobicContact CD1-CD2 4.39Å; L223-L231 HydrophobicContact CD2-CD2 4.22Å; L223-L231 HydrophobicContact CG-CD2 4.45Å; L223-V234 HydrophobicContact CD2-CB 4.41Å; L223-V234 HydrophobicContact CD2-CG1 3.91Å; L223-V234 HydrophobicContact CD2-CG2 4.2Å; L223-F238 HydrophobicContact CD1-CE2 4.23Å; L223-F238 HydrophobicContact CD1-CZ 4.15Å; L223-F238 HydrophobicContact CD2-CD2 3.59Å; L223-F238 HydrophobicContact CD2-CE2 3.77Å; L223-F238 HydrophobicContact CD2-CG 3.99Å; L223-F238 HydrophobicContact CD2-CZ 4.31Å; L223-F238 HydrophobicContact CG-CD2 4.02Å; L223-F238 HydrophobicContact CG-CE2 3.66Å; L223-F238 HydrophobicContact CG-CZ 4.09Å; L223-F250 HydrophobicContact CD1-CE2 4.31Å; L223-F254 HydrophobicContact CD1-CD2 4.27Å; L223-F254 HydrophobicContact CD1-CE1 4.27Å; L223-F254 HydrophobicContact CD1-CE2 3.81Å; L223-F254 HydrophobicContact CD1-CZ 3.81Å; L223-F254 HydrophobicContact CD2-CE2 4.12Å; L223-F254 HydrophobicContact CD2-CZ 4.01Å; L223-I278 HydrophobicContact CD1-CD1 3.72Å; L223-L316 CarbonylContact O-C 3.48Å; L223-L316 WeakPolarHBondContact O-CA 3.47Å; L223-F317 HydrophobicContact CB-CB 3.95Å; L223-F317 HydrophobicContact CD1-CB 4.4Å; L223-F317 HydrophobicContact CD1-CD1 4.04Å; L223-F317 HydrophobicContact CD1-CG 4.46Å; L223-F317 HydrophobicContact CG-CB 4.38Å; L223-F317 HydrophobicContact CG-CD1 4.18Å; L223-F317 PolarHBondContact N-O 3.36Å; L223-F317 PolarHBondContact O-N 3.27Å |
| 224 | L | 93.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 113.7 | 173.4 | -169.3 | 70.1 | 0 | 0 | 0 | 109.7 | K232 R233 W312 M314 L316 | L224-K232 HydrophobicContact CD2-CD 4.43Å; L224-K232 PolarHBondContact O-N 2.69Å; L224-R233 HydrophobicContact CB-CB 3.94Å; L224-R233 HydrophobicContact CD2-CB 4.44Å; L224-R233 HydrophobicContact CD2-CG 4.43Å; L224-R233 PolarHBondContact N-O 2.87Å; L224-W312 HydrophobicContact CD1-CE3 3.88Å; L224-W312 HydrophobicContact CD1-CZ3 4.22Å; L224-M314 HydrophobicContact CD1-CB 3.86Å; L224-M314 HydrophobicContact CD1-SD 4.35Å; L224-M314 HydrophobicContact CD2-SD 3.79Å; L224-M314 HydrophobicContact CG-CB 4.29Å; L224-M314 HydrophobicContact CG-SD 3.87Å; L224-L316 HydrophobicContact CD1-CB 4.3Å; L224-L316 HydrophobicContact CD1-CD1 4.28Å |
| 225 | L | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.5 | -175.7 | -58.5 | 110.3 | 0 | 0 | 0 | 111.3 | L223 M229 I230 L231 F250 M306 M314 L315 | L223-L225 HydrophobicContact CB-CD1 4.28Å; L225-M229 HydrophobicContact CD2-CE 3.84Å; L225-M229 HydrophobicContact CD2-SD 4.4Å; L225-I230 WeakPolarHBondContact CA-O 3.25Å; L225-L231 HydrophobicContact CD2-CD2 3.93Å; L225-L231 HydrophobicContact CG-CD2 3.96Å; L225-F250 HydrophobicContact CD2-CB 3.65Å; L225-F250 HydrophobicContact CD2-CD2 3.55Å; L225-F250 HydrophobicContact CD2-CE2 4.32Å; L225-F250 HydrophobicContact CD2-CG 3.67Å; L225-M306 HydrophobicContact CD1-SD 4.23Å; L225-M314 WeakPolarHBondContact O-CA 3.21Å; L225-M314 WeakPolarHBondContact O-CB 3.22Å; L225-M314 WeakPolarHBondContact O-CG 3.3Å; L225-L315 HydrophobicContact CB-CB 4.22Å; L225-L315 HydrophobicContact CD1-CB 4.19Å; L225-L315 PolarHBondContact N-O 2.91Å; L225-L315 PolarHBondContact O-N 3.03Å |
| 226 | T | 93.1 | Very high | 91 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 15% | 0.153 | 22% | 0.222 | C | C | . | . | trans | -74.3 | 169.3 | 168.9 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | D228 M229 I230 K232 M314 | T226-D228 PolarHBondContact O-N 2.92Å; T226-D228 PolarHBondContact OG1-N 2.77Å; T226-M229 PolarHBondContact O-N 3.4Å; T226-I230 PolarHBondContact N-O 3.48Å; T226-I230 WeakPolarHBondContact OG1-CB 3.21Å; T226-I230 PolarHBondContact OG1-N 2.9Å; T226-K232 HydrophobicContact CG2-CB 4.08Å; T226-K232 HydrophobicContact CG2-CD 4.41Å; T226-M314 HydrophobicContact CG2-CE 4.06Å; T226-M314 HydrophobicContact CG2-SD 4.44Å | ||
| 227 | K | 89.3 | Confident | 91 | Very high | 109 Ų | 109 | 41.7 Ų | 41.7 | 47% | 0.474 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.1 | 172.7 | -71.3 | -173.3 | 172.8 | 177.1 | 0 | 113.5 | M229 F265 | K227-M229 PolarHBondContact O-N 3Å; K227-F265 HydrophobicContact CB-CD2 4.47Å; K227-F265 HydrophobicContact CG-CD2 4.35Å; K227-F265 HydrophobicContact CG-CE1 4.39Å; K227-F265 HydrophobicContact CG-CE2 4.03Å; K227-F265 HydrophobicContact CG-CZ 4.07Å |
| 228 | D | 90.7 | Very high | 91.2 | Very high | 127 Ų | 127 | 39.1 Ų | 39.1 | 68% | 0.679 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 12.5 | 176.6 | -49.6 | -52.6 | 0 | 0 | 0 | 113.1 | T226 I230 | T226-D228 PolarHBondContact O-N 2.92Å; T226-D228 PolarHBondContact OG1-N 2.77Å; D228-I230 VanDerWaalsContact C-N 3.26Å; D228-I230 HydrophobicContact CB-CD1 4.12Å; D228-I230 HydrophobicContact CB-CG1 4.23Å; D228-I230 PolarHBondContact O-N 3.49Å |
| 229 | M | 91.5 | Very high | 91.4 | Very high | 15 Ų | 15 | 37.2 Ų | 37.2 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | trans | 60.5 | 30.4 | -178.3 | -63.7 | -62.5 | -65.5 | 0 | 0 | 114.1 | L225 T226 K227 F250 F265 I268 | L225-M229 HydrophobicContact CD2-CE 3.84Å; L225-M229 HydrophobicContact CD2-SD 4.4Å; T226-M229 PolarHBondContact O-N 3.4Å; K227-M229 PolarHBondContact O-N 3Å; M229-F250 HydrophobicContact CB-CB 4.45Å; M229-F250 HydrophobicContact CE-CB 3.92Å; M229-F250 HydrophobicContact CE-CD1 3.55Å; M229-F250 HydrophobicContact CE-CE1 4.26Å; M229-F250 HydrophobicContact CE-CG 3.87Å; M229-F250 WeakPolarHBondContact O-CB 3.32Å; M229-F250 PolarHBondContact O-N 3.03Å; M229-F265 HydrophobicContact SD-CB 4.24Å; M229-I268 HydrophobicContact CE-CD1 3.3Å; M229-I268 HydrophobicContact SD-CD1 3.99Å | ||
| 230 | I | 93.6 | Very high | 91.1 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -95.6 | 135.5 | 176.4 | -58.1 | 171.4 | 0 | 0 | 0 | 110 | L225 T226 D228 K232 | L225-I230 WeakPolarHBondContact CA-O 3.25Å; T226-I230 PolarHBondContact N-O 3.48Å; T226-I230 WeakPolarHBondContact OG1-CB 3.21Å; T226-I230 PolarHBondContact OG1-N 2.9Å; D228-I230 VanDerWaalsContact C-N 3.26Å; D228-I230 HydrophobicContact CB-CD1 4.12Å; D228-I230 HydrophobicContact CB-CG1 4.23Å; D228-I230 PolarHBondContact O-N 3.49Å; I230-K232 PolarHBondContact O-N 3.06Å; I230-K232 VanDerWaalsContact O-N 3.12Å |
| 231 | L | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 92.3 | 179.8 | -66.3 | 170.6 | 0 | 0 | 0 | 111.2 | L223 L225 V234 I245 G247 K248 F250 C253 F254 | L223-L231 HydrophobicContact CB-CD2 4.02Å; L223-L231 HydrophobicContact CD1-CD2 4.39Å; L223-L231 HydrophobicContact CD2-CD2 4.22Å; L223-L231 HydrophobicContact CG-CD2 4.45Å; L225-L231 HydrophobicContact CD2-CD2 3.93Å; L225-L231 HydrophobicContact CG-CD2 3.96Å; L231-V234 HydrophobicContact CB-CG2 4.21Å; L231-I245 HydrophobicContact CD1-CG2 3.26Å; L231-I245 HydrophobicContact CG-CG2 4.5Å; L231-G247 WeakPolarHBondContact O-CA 3.42Å; L231-G247 PolarHBondContact O-N 2.67Å; L231-K248 WeakPolarHBondContact CB-O 3.4Å; L231-K248 PolarHBondContact N-O 3.29Å; L231-F250 HydrophobicContact CD2-CD2 4.27Å; L231-C253 HydrophobicContact CD1-CB 4.38Å; L231-F254 HydrophobicContact CD1-CD2 4.13Å; L231-F254 HydrophobicContact CD1-CE2 3.82Å |
| 232 | K | 91.6 | Very high | 90.6 | Very high | 120 Ų | 120 | 42.7 Ų | 42.7 | 52% | 0.522 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | -39.5 | -178.6 | -174.7 | 177.5 | 179 | -175 | 0 | 112.7 | L224 T226 I230 L246 M314 | L224-K232 HydrophobicContact CD2-CD 4.43Å; L224-K232 PolarHBondContact O-N 2.69Å; T226-K232 HydrophobicContact CG2-CB 4.08Å; T226-K232 HydrophobicContact CG2-CD 4.41Å; I230-K232 PolarHBondContact O-N 3.06Å; I230-K232 VanDerWaalsContact O-N 3.12Å; K232-L246 WeakPolarHBondContact O-CD1 3.38Å; K232-M314 HydrophobicContact CD-CE 3.68Å; K232-M314 HydrophobicContact CD-SD 3.74Å |
| 233 | R | 90.6 | Very high | 90.2 | Very high | 96 Ų | 96 | 48.5 Ų | 48.5 | 36% | 0.362 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 149.6 | 173.6 | -70 | -167 | -178 | -107.3 | 11.9 | 110.4 | E212 L224 | E212-R233 IonicContact OE1-CZ 3.75Å; E212-R233 IonicContact OE1-NE 3.13Å; E212-R233 PolarHBondContact OE1-NE 3.32Å; E212-R233 IonicContact OE1-NH2 2.86Å; E212-R233 PolarHBondContact OE1-NH2 3.47Å; E212-R233 IonicContact OE2-CZ 3.61Å; E212-R233 IonicContact OE2-NH2 3.28Å; E212-R233 PolarHBondContact OE2-NH2 2.8Å; L224-R233 HydrophobicContact CB-CB 3.94Å; L224-R233 HydrophobicContact CD2-CB 4.44Å; L224-R233 HydrophobicContact CD2-CG 4.43Å; L224-R233 PolarHBondContact N-O 2.87Å |
| 234 | V | 92.5 | Very high | 89.8 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 9% | 0.085 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 130.7 | -177.3 | -178.9 | 0 | 0 | 0 | 0 | 107.3 | L223 L231 F238 L239 I245 L246 | L223-V234 HydrophobicContact CD2-CB 4.41Å; L223-V234 HydrophobicContact CD2-CG1 3.91Å; L223-V234 HydrophobicContact CD2-CG2 4.2Å; L231-V234 HydrophobicContact CB-CG2 4.21Å; V234-F238 HydrophobicContact CG1-CB 3.41Å; V234-F238 VanDerWaalsContact CG1-CB 3.41Å; V234-F238 HydrophobicContact CG1-CD2 4.47Å; V234-F238 HydrophobicContact CG1-CG 4.26Å; V234-L239 HydrophobicContact CB-CD2 4.29Å; V234-L239 HydrophobicContact CB-CG 4.3Å; V234-L239 HydrophobicContact CG1-CD2 4.07Å; V234-L239 HydrophobicContact CG1-CG 3.95Å; V234-I245 HydrophobicContact CG1-CG2 4.39Å; V234-I245 HydrophobicContact CG2-CB 4.45Å; V234-I245 HydrophobicContact CG2-CG2 3.9Å; V234-L246 HydrophobicContact CB-CD1 4.43Å; V234-L246 HydrophobicContact CG2-CB 4.49Å; V234-L246 HydrophobicContact CG2-CD1 4.01Å |
| 235 | G | 91.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | trans | -65.1 | 157.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P220 H222 G237 F238 L239 | P220-G235 CarbonylContact O-C 3.35Å; P220-G235 WeakPolarHBondContact O-CA 2.78Å; H222-G235 WeakPolarHBondContact CE1-CA 3.49Å; H222-G235 WeakPolarHBondContact ND1-CA 3.48Å; H222-G235 PolarHBondContact O-N 3.16Å; G235-G237 VanDerWaalsContact C-N 3.27Å; G235-G237 PolarHBondContact O-N 3.15Å; G235-F238 PolarHBondContact O-N 2.93Å; G235-L239 WeakPolarHBondContact O-CG 3.35Å; G235-L239 PolarHBondContact O-N 3.45Å; G235-L239 VanDerWaalsContact O-N 3.14Å | ||
| 236 | T | 89 | Confident | 89.5 | Confident | 90 Ų | 90 | 54.7 Ų | 54.7 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.4 | -35.9 | -177.8 | 48 | 0 | 0 | 0 | 0 | 112.7 | P220 L239 C240 | P220-T236 PolarHBondContact O-N 2.82Å; T236-L239 PolarHBondContact O-N 3.46Å; T236-C240 PolarHBondContact O-N 3.34Å; T236-C240 PolarHBondContact O-SG 3.34Å |
| 237 | G | 87.4 | Confident | 89.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P220 F221 G235 C240 L241 | P220-G237 WeakPolarHBondContact O-CA 3.47Å; P220-G237 PolarHBondContact O-N 3.35Å; F221-G237 VanDerWaalsContact CE1-C 3.42Å; G235-G237 VanDerWaalsContact C-N 3.27Å; G235-G237 PolarHBondContact O-N 3.15Å; G237-C240 PolarHBondContact O-N 3.28Å; G237-L241 PolarHBondContact O-N 2.82Å |
| 238 | F | 89.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 172.7 | -78.5 | -65.3 | 0 | 0 | 0 | 112.1 | F221 H222 L223 V234 G235 C240 L241 R242 I245 F254 I278 F302 F317 | F221-F238 VanDerWaalsContact C-CE2 3.44Å; F221-F238 HydrophobicContact CB-CD2 4.4Å; F221-F238 HydrophobicContact CB-CE2 3.98Å; F221-F238 HydrophobicContact CB-CZ 4.48Å; F221-F238 HydrophobicContact CD1-CD2 4.29Å; F221-F238 HydrophobicContact CD1-CE2 4.35Å; F221-F238 HydrophobicContact CD1-CG 4.37Å; F221-F238 HydrophobicContact CD1-CZ 4.49Å; H222-F238 WeakPolarHBondContact O-CD2 3.39Å; L223-F238 HydrophobicContact CD1-CE2 4.23Å; L223-F238 HydrophobicContact CD1-CZ 4.15Å; L223-F238 HydrophobicContact CD2-CD2 3.59Å; L223-F238 HydrophobicContact CD2-CE2 3.77Å; L223-F238 HydrophobicContact CD2-CG 3.99Å; L223-F238 HydrophobicContact CD2-CZ 4.31Å; L223-F238 HydrophobicContact CG-CD2 4.02Å; L223-F238 HydrophobicContact CG-CE2 3.66Å; L223-F238 HydrophobicContact CG-CZ 4.09Å; V234-F238 HydrophobicContact CG1-CB 3.41Å; V234-F238 VanDerWaalsContact CG1-CB 3.41Å; V234-F238 HydrophobicContact CG1-CD2 4.47Å; V234-F238 HydrophobicContact CG1-CG 4.26Å; G235-F238 PolarHBondContact O-N 2.93Å; F238-C240 VanDerWaalsContact C-N 3.31Å; F238-C240 PolarHBondContact O-N 2.96Å; F238-L241 PolarHBondContact O-N 2.59Å; F238-R242 PolarHBondContact O-N 3.18Å; F238-I245 HydrophobicContact CB-CD1 4.33Å; F238-F254 AromaticContact CD1-CE1 3.97Å; F238-F254 HydrophobicContact CD1-CE1 3.97Å; F238-F254 AromaticContact CD1-CZ 3.84Å; F238-F254 HydrophobicContact CD1-CZ 3.84Å; F238-F254 AromaticContact CE1-CE1 3.67Å; F238-F254 HydrophobicContact CE1-CE1 3.67Å; F238-F254 AromaticContact CE1-CZ 3.91Å; F238-F254 HydrophobicContact CE1-CZ 3.91Å; F238-I278 HydrophobicContact CZ-CD1 4.29Å; F238-F302 HydrophobicContact CD1-CE1 4.12Å; F238-F302 HydrophobicContact CD1-CE2 4.19Å; F238-F302 AromaticContact CD1-CZ 3.91Å; F238-F302 HydrophobicContact CD1-CZ 3.91Å; F238-F302 AromaticContact CE1-CD1 3.67Å; F238-F302 HydrophobicContact CE1-CD1 3.67Å; F238-F302 AromaticContact CE1-CD2 3.65Å; F238-F302 HydrophobicContact CE1-CD2 3.65Å; F238-F302 AromaticContact CE1-CE1 3.61Å; F238-F302 HydrophobicContact CE1-CE1 3.61Å; F238-F302 AromaticContact CE1-CE2 3.61Å; F238-F302 HydrophobicContact CE1-CE2 3.61Å; F238-F302 AromaticContact CE1-CG 3.68Å; F238-F302 HydrophobicContact CE1-CG 3.68Å; F238-F302 AromaticContact CE1-CZ 3.58Å; F238-F302 HydrophobicContact CE1-CZ 3.58Å; F238-F302 HydrophobicContact CZ-CB 4.47Å; F238-F302 AromaticContact CZ-CD1 3.84Å; F238-F302 HydrophobicContact CZ-CD1 3.84Å; F238-F302 HydrophobicContact CZ-CD2 4.32Å; F238-F302 HydrophobicContact CZ-CE1 4.16Å; F238-F302 AromaticContact CZ-CG 3.93Å; F238-F302 HydrophobicContact CZ-CG 3.93Å; F238-F317 HydrophobicContact CE2-CD1 4.29Å; F238-F317 HydrophobicContact CE2-CE1 4.42Å; F238-F317 HydrophobicContact CZ-CD1 4.15Å; F238-F317 AromaticContact CZ-CE1 3.92Å; F238-F317 HydrophobicContact CZ-CE1 3.92Å |
| 239 | L | 88.8 | Confident | 89.5 | Confident | 59 Ų | 59 | 53.7 Ų | 53.7 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.4 | -30.8 | 178.5 | -68.3 | 172.1 | 0 | 0 | 0 | 113 | V234 G235 T236 L241 R242 N243 | V234-L239 HydrophobicContact CB-CD2 4.29Å; V234-L239 HydrophobicContact CB-CG 4.3Å; V234-L239 HydrophobicContact CG1-CD2 4.07Å; V234-L239 HydrophobicContact CG1-CG 3.95Å; G235-L239 WeakPolarHBondContact O-CG 3.35Å; G235-L239 PolarHBondContact O-N 3.45Å; G235-L239 VanDerWaalsContact O-N 3.14Å; T236-L239 PolarHBondContact O-N 3.46Å; L239-L241 VanDerWaalsContact C-N 3.28Å; L239-L241 PolarHBondContact O-N 3.06Å; L239-R242 CarbonylContact O-C 3.55Å; L239-R242 PolarHBondContact O-N 2.84Å; L239-N243 PolarHBondContact O-N 3.37Å |
| 240 | C | 84.6 | Confident | 89.5 | Confident | 85 Ų | 85 | 53 Ų | 53 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.5 | -35.3 | 173.6 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | T236 G237 F238 | T236-C240 PolarHBondContact O-N 3.34Å; T236-C240 PolarHBondContact O-SG 3.34Å; G237-C240 PolarHBondContact O-N 3.28Å; F238-C240 VanDerWaalsContact C-N 3.31Å; F238-C240 PolarHBondContact O-N 2.96Å |
| 241 | L | 85.5 | Confident | 89.2 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -80.1 | -41.7 | 177.4 | -67.6 | 167.8 | 0 | 0 | 0 | 111.9 | F221 G237 F238 L239 L280 C300 F302 K332 L334 | F221-L241 HydrophobicContact CE1-CD1 4.41Å; G237-L241 PolarHBondContact O-N 2.82Å; F238-L241 PolarHBondContact O-N 2.59Å; L239-L241 VanDerWaalsContact C-N 3.28Å; L239-L241 PolarHBondContact O-N 3.06Å; L241-L280 HydrophobicContact CB-CD2 3.79Å; L241-L280 HydrophobicContact CD1-CD2 4.33Å; L241-C300 HydrophobicContact CD1-CB 4.24Å; L241-F302 HydrophobicContact CD1-CE1 4.15Å; L241-F302 HydrophobicContact CD1-CE2 4.47Å; L241-F302 HydrophobicContact CD1-CZ 3.46Å; L241-F302 VanDerWaalsContact CD1-CZ 3.46Å; L241-K332 VanDerWaalsContact CD2-O 3.25Å; L241-K332 WeakPolarHBondContact CD2-O 3.09Å; L241-L334 HydrophobicContact CD1-CD1 4.35Å; L241-L334 HydrophobicContact CD2-CD1 4.15Å; L241-L334 HydrophobicContact CD2-CD2 4.01Å; L241-L334 HydrophobicContact CD2-CG 3.92Å; L241-L334 HydrophobicContact CG-CD2 4.06Å; L241-L334 HydrophobicContact CG-CG 4.45Å |
| 242 | R | 85.7 | Confident | 89 | Confident | 31 Ų | 31 | 57 Ų | 57 | 12% | 0.117 | 31% | 0.309 | C | S | . | . | trans | -150.5 | 113.1 | 179.3 | -178.1 | -177.4 | 176.3 | -171.2 | -8.8 | 110.5 | F238 L239 D244 I245 L280 L281 | F238-R242 PolarHBondContact O-N 3.18Å; L239-R242 CarbonylContact O-C 3.55Å; L239-R242 PolarHBondContact O-N 2.84Å; R242-D244 WeakPolarHBondContact CD-OD1 3.46Å; R242-D244 WeakPolarHBondContact CG-OD1 3.46Å; R242-D244 IonicContact CZ-OD1 2.9Å; R242-D244 IonicContact NE-OD1 3.91Å; R242-D244 PolarHBondContact NE-OD1 3.25Å; R242-D244 IonicContact NE-OD2 3.25Å; R242-D244 IonicContact NH2-OD1 2.69Å; R242-D244 IonicContact NH2-OD2 3.52Å; R242-D244 PolarHBondContact NH2-OD2 3.4Å; R242-D244 PolarHBondContact O-N 3.04Å; R242-I245 HydrophobicContact CB-CD1 3.83Å; R242-I245 HydrophobicContact CB-CG1 3.96Å; R242-I245 HydrophobicContact CG-CD1 4.24Å; R242-I245 HydrophobicContact CG-CG1 3.79Å; R242-I245 WeakPolarHBondContact O-CD1 3.28Å; R242-I245 WeakPolarHBondContact O-CG1 3.42Å; R242-L280 HydrophobicContact CB-CD2 4.16Å; R242-L281 PolarHBondContact NH1-O 2.73Å | ||
| 243 | N | 84.6 | Confident | 88.8 | Confident | 131 Ų | 131 | 51.2 Ų | 51.2 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -14.8 | -173.9 | 59.2 | 1.1 | 0 | 0 | 0 | 114.9 | L239 | L239-N243 PolarHBondContact O-N 3.37Š|
| 244 | D | 86.2 | Confident | 88.9 | Confident | 35 Ų | 35 | 46.8 Ų | 46.8 | 19% | 0.187 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 27.7 | -173.1 | 77.6 | -46.5 | 0 | 0 | 0 | 114 | R242 K248 K283 | R242-D244 WeakPolarHBondContact CD-OD1 3.46Å; R242-D244 WeakPolarHBondContact CG-OD1 3.46Å; R242-D244 IonicContact CZ-OD1 2.9Å; R242-D244 IonicContact NE-OD1 3.91Å; R242-D244 PolarHBondContact NE-OD1 3.25Å; R242-D244 IonicContact NE-OD2 3.25Å; R242-D244 IonicContact NH2-OD1 2.69Å; R242-D244 IonicContact NH2-OD2 3.52Å; R242-D244 PolarHBondContact NH2-OD2 3.4Å; R242-D244 PolarHBondContact O-N 3.04Å; D244-K248 VanDerWaalsContact O-CD 3.23Å; D244-K248 WeakPolarHBondContact O-CD 3.49Å; D244-K248 WeakPolarHBondContact O-CE 3.48Å; D244-K248 PolarHBondContact O-NZ 2.92Å; D244-K248 IonicContact OD2-NZ 3.35Å; D244-K248 PolarHBondContact OD2-NZ 2.88Å; D244-K283 VanDerWaalsContact CG-CE 3.44Å; D244-K283 IonicContact OD1-NZ 2.67Å; D244-K283 WeakPolarHBondContact OD2-CE 3.42Å; D244-K283 IonicContact OD2-NZ 3Å; D244-K283 PolarHBondContact OD2-NZ 3.14Å |
| 245 | I | 88.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -83.5 | -37.6 | 179.7 | -61.8 | 171.6 | 0 | 0 | 0 | 111.6 | L231 V234 F238 R242 G247 K248 C253 F254 L280 | L231-I245 HydrophobicContact CD1-CG2 3.26Å; L231-I245 HydrophobicContact CG-CG2 4.5Å; V234-I245 HydrophobicContact CG1-CG2 4.39Å; V234-I245 HydrophobicContact CG2-CB 4.45Å; V234-I245 HydrophobicContact CG2-CG2 3.9Å; F238-I245 HydrophobicContact CB-CD1 4.33Å; R242-I245 HydrophobicContact CB-CD1 3.83Å; R242-I245 HydrophobicContact CB-CG1 3.96Å; R242-I245 HydrophobicContact CG-CD1 4.24Å; R242-I245 HydrophobicContact CG-CG1 3.79Å; R242-I245 WeakPolarHBondContact O-CD1 3.28Å; R242-I245 WeakPolarHBondContact O-CG1 3.42Å; I245-G247 PolarHBondContact O-N 2.75Å; I245-K248 WeakPolarHBondContact O-CB 3.41Å; I245-K248 PolarHBondContact O-N 3.36Å; I245-C253 HydrophobicContact CG2-CB 4.28Å; I245-F254 HydrophobicContact CD1-CE2 4.48Å; I245-F254 HydrophobicContact CD1-CZ 4.11Å; I245-F254 HydrophobicContact CG2-CE2 3.85Å; I245-F254 HydrophobicContact CG2-CZ 4.41Å; I245-L280 HydrophobicContact CD1-CD1 3.75Å; I245-L280 HydrophobicContact CG1-CD1 4.41Å | ||
| 246 | L | 90.7 | Very high | 88.6 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 53% | 0.529 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 131 | -171.6 | -172.7 | 68.8 | 0 | 0 | 0 | 111.6 | K232 V234 K248 | K232-L246 WeakPolarHBondContact O-CD1 3.38Å; V234-L246 HydrophobicContact CB-CD1 4.43Å; V234-L246 HydrophobicContact CG2-CB 4.49Å; V234-L246 HydrophobicContact CG2-CD1 4.01Å; L246-K248 VanDerWaalsContact C-N 3.31Å; L246-K248 PolarHBondContact O-N 3.49Å |
| 247 | G | 89.6 | Confident | 88.3 | Confident | 53 Ų | 53 | 49.1 Ų | 49.1 | 55% | 0.546 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 0.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | L231 I245 | L231-G247 WeakPolarHBondContact O-CA 3.42Å; L231-G247 PolarHBondContact O-N 2.67Å; I245-G247 PolarHBondContact O-N 2.75Å |
| 248 | K | 91.7 | Very high | 87.9 | Confident | 70 Ų | 70 | 51.8 Ų | 51.8 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -90.1 | 161.4 | 176.9 | -67.1 | -172.4 | 178.1 | 164.4 | 0 | 112.7 | L231 D244 I245 L246 | L231-K248 WeakPolarHBondContact CB-O 3.4Å; L231-K248 PolarHBondContact N-O 3.29Å; D244-K248 VanDerWaalsContact O-CD 3.23Å; D244-K248 WeakPolarHBondContact O-CD 3.49Å; D244-K248 WeakPolarHBondContact O-CE 3.48Å; D244-K248 PolarHBondContact O-NZ 2.92Å; D244-K248 IonicContact OD2-NZ 3.35Å; D244-K248 PolarHBondContact OD2-NZ 2.88Å; I245-K248 WeakPolarHBondContact O-CB 3.41Å; I245-K248 PolarHBondContact O-N 3.36Å; L246-K248 VanDerWaalsContact C-N 3.31Å; L246-K248 PolarHBondContact O-N 3.49Å |
| 249 | E | 91.8 | Very high | 87.2 | Confident | 117 Ų | 117 | 52.5 Ų | 52.5 | 55% | 0.547 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -64.2 | 134.6 | 167.1 | -70 | 178.1 | -170.8 | 0 | 0 | 110.3 | V251 T252 | E249-V251 VanDerWaalsContact C-N 3.27Å; E249-V251 PolarHBondContact O-N 3.12Å; E249-T252 HydrophobicContact CB-CG2 3.96Å; E249-T252 PolarHBondContact O-N 2.83Å; E249-T252 PolarHBondContact O-OG1 3.41Å |
| 250 | F | 91.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -51.4 | -45.3 | -179.2 | 174.6 | -103.7 | 0 | 0 | 0 | 112.6 | L223 L225 M229 L231 T252 C253 F254 I256 P263 I278 M306 | L223-F250 HydrophobicContact CD1-CE2 4.31Å; L225-F250 HydrophobicContact CD2-CB 3.65Å; L225-F250 HydrophobicContact CD2-CD2 3.55Å; L225-F250 HydrophobicContact CD2-CE2 4.32Å; L225-F250 HydrophobicContact CD2-CG 3.67Å; M229-F250 HydrophobicContact CB-CB 4.45Å; M229-F250 HydrophobicContact CE-CB 3.92Å; M229-F250 HydrophobicContact CE-CD1 3.55Å; M229-F250 HydrophobicContact CE-CE1 4.26Å; M229-F250 HydrophobicContact CE-CG 3.87Å; M229-F250 WeakPolarHBondContact O-CB 3.32Å; M229-F250 PolarHBondContact O-N 3.03Å; L231-F250 HydrophobicContact CD2-CD2 4.27Å; F250-T252 PolarHBondContact O-N 3.2Å; F250-T252 VanDerWaalsContact O-N 3.16Å; F250-C253 PolarHBondContact O-N 3.02Å; F250-F254 HydrophobicContact CD2-CB 3.93Å; F250-F254 AromaticContact CD2-CD2 3.76Å; F250-F254 HydrophobicContact CD2-CD2 3.76Å; F250-F254 HydrophobicContact CD2-CG 4.15Å; F250-F254 HydrophobicContact CE1-CB 4.27Å; F250-F254 HydrophobicContact CE2-CB 3.51Å; F250-F254 AromaticContact CE2-CD2 3.86Å; F250-F254 HydrophobicContact CE2-CD2 3.86Å; F250-F254 AromaticContact CE2-CG 3.82Å; F250-F254 HydrophobicContact CE2-CG 3.82Å; F250-F254 HydrophobicContact CZ-CB 3.7Å; F250-F254 HydrophobicContact CZ-CG 4.46Å; F250-F254 PolarHBondContact O-N 3.46Å; F250-I256 HydrophobicContact CE1-CD1 3.88Å; F250-I256 HydrophobicContact CE1-CG1 3.69Å; F250-I256 HydrophobicContact CZ-CD1 4.38Å; F250-I256 HydrophobicContact CZ-CG1 3.96Å; F250-P263 HydrophobicContact CD1-CB 4.15Å; F250-P263 HydrophobicContact CE1-CB 4.2Å; F250-I278 HydrophobicContact CZ-CG2 4.09Å; F250-M306 HydrophobicContact CZ-CE 4.41Å |
| 251 | V | 88.7 | Confident | 86 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 44% | 0.442 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -23.5 | -176.2 | -158.8 | 0 | 0 | 0 | 0 | 113 | E249 C253 P263 | E249-V251 VanDerWaalsContact C-N 3.27Å; E249-V251 PolarHBondContact O-N 3.12Å; V251-C253 VanDerWaalsContact C-N 3.32Å; V251-P263 HydrophobicContact CB-CG 4.34Å; V251-P263 HydrophobicContact CG1-CG 3.8Å; V251-P263 HydrophobicContact CG2-CB 3.9Å; V251-P263 HydrophobicContact CG2-CG 3.61Å |
| 252 | T | 87.6 | Confident | 85.7 | Confident | 72 Ų | 72 | 59.2 Ų | 59.2 | 44% | 0.442 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -79 | -18.9 | 177.3 | 69.7 | 0 | 0 | 0 | 0 | 113 | E249 F250 | E249-T252 HydrophobicContact CB-CG2 3.96Å; E249-T252 PolarHBondContact O-N 2.83Å; E249-T252 PolarHBondContact O-OG1 3.41Å; F250-T252 PolarHBondContact O-N 3.2Å; F250-T252 VanDerWaalsContact O-N 3.16Å |
| 253 | C | 88.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -113.7 | -32.5 | -174.4 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | L231 I245 F250 V251 L281 | L231-C253 HydrophobicContact CD1-CB 4.38Å; I245-C253 HydrophobicContact CG2-CB 4.28Å; F250-C253 PolarHBondContact O-N 3.02Å; V251-C253 VanDerWaalsContact C-N 3.32Å; C253-L281 WeakPolarHBondContact O-CB 3.46Å; C253-L281 PolarHBondContact O-N 3.04Å |
| 254 | F | 91.5 | Very high | 85.6 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 144.8 | -173 | -63.8 | -83.9 | 0 | 0 | 0 | 111.7 | L223 L231 F238 I245 F250 I278 I279 L280 | L223-F254 HydrophobicContact CD1-CD2 4.27Å; L223-F254 HydrophobicContact CD1-CE1 4.27Å; L223-F254 HydrophobicContact CD1-CE2 3.81Å; L223-F254 HydrophobicContact CD1-CZ 3.81Å; L223-F254 HydrophobicContact CD2-CE2 4.12Å; L223-F254 HydrophobicContact CD2-CZ 4.01Å; L231-F254 HydrophobicContact CD1-CD2 4.13Å; L231-F254 HydrophobicContact CD1-CE2 3.82Å; F238-F254 AromaticContact CD1-CE1 3.97Å; F238-F254 HydrophobicContact CD1-CE1 3.97Å; F238-F254 AromaticContact CD1-CZ 3.84Å; F238-F254 HydrophobicContact CD1-CZ 3.84Å; F238-F254 AromaticContact CE1-CE1 3.67Å; F238-F254 HydrophobicContact CE1-CE1 3.67Å; F238-F254 AromaticContact CE1-CZ 3.91Å; F238-F254 HydrophobicContact CE1-CZ 3.91Å; I245-F254 HydrophobicContact CD1-CE2 4.48Å; I245-F254 HydrophobicContact CD1-CZ 4.11Å; I245-F254 HydrophobicContact CG2-CE2 3.85Å; I245-F254 HydrophobicContact CG2-CZ 4.41Å; F250-F254 HydrophobicContact CD2-CB 3.93Å; F250-F254 AromaticContact CD2-CD2 3.76Å; F250-F254 HydrophobicContact CD2-CD2 3.76Å; F250-F254 HydrophobicContact CD2-CG 4.15Å; F250-F254 HydrophobicContact CE1-CB 4.27Å; F250-F254 HydrophobicContact CE2-CB 3.51Å; F250-F254 AromaticContact CE2-CD2 3.86Å; F250-F254 HydrophobicContact CE2-CD2 3.86Å; F250-F254 AromaticContact CE2-CG 3.82Å; F250-F254 HydrophobicContact CE2-CG 3.82Å; F250-F254 HydrophobicContact CZ-CB 3.7Å; F250-F254 HydrophobicContact CZ-CG 4.46Å; F250-F254 PolarHBondContact O-N 3.46Å; F254-I278 HydrophobicContact CD1-CB 4.47Å; F254-I278 HydrophobicContact CD1-CD1 3.83Å; F254-I278 HydrophobicContact CD1-CG1 4.25Å; F254-I278 HydrophobicContact CE1-CD1 4.05Å; F254-I278 HydrophobicContact CG-CD1 4.42Å; F254-I279 CarbonylContact C-O 3.58Å; F254-I279 VanDerWaalsContact CA-O 3.28Å; F254-I279 WeakPolarHBondContact CA-O 3.28Å; F254-L280 HydrophobicContact CD1-CB 4.24Å; F254-L280 HydrophobicContact CD1-CD1 4.12Å; F254-L280 HydrophobicContact CE1-CB 3.96Å; F254-L280 HydrophobicContact CE1-CD1 3.56Å; F254-L280 HydrophobicContact CE1-CG 4.34Å; F254-L280 HydrophobicContact CE2-CD1 4.4Å; F254-L280 HydrophobicContact CZ-CD1 3.73Å |
| 255 | L | 90.1 | Very high | 85.6 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.7 | 167.9 | 177.5 | 70.4 | 0 | 0 | 0 | 109 | S257 I278 I279 L281 | L255-S257 PolarHBondContact O-N 3.43Å; L255-I278 CarbonylContact O-C 3.56Å; L255-I278 WeakPolarHBondContact O-CA 3.14Å; L255-I279 HydrophobicContact CB-CB 4.39Å; L255-I279 PolarHBondContact N-O 3.3Å; L255-I279 PolarHBondContact O-N 3.15Å; L255-L281 HydrophobicContact CB-CD2 4.16Å |
| 256 | I | 88.1 | Confident | 85.3 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 9% | 0.087 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 110.1 | 171.1 | -55 | 178.2 | 0 | 0 | 0 | 107.9 | F250 K258 P259 P263 I268 F276 I278 | F250-I256 HydrophobicContact CE1-CD1 3.88Å; F250-I256 HydrophobicContact CE1-CG1 3.69Å; F250-I256 HydrophobicContact CZ-CD1 4.38Å; F250-I256 HydrophobicContact CZ-CG1 3.96Å; I256-K258 VanDerWaalsContact CG2-O 3.31Å; I256-K258 WeakPolarHBondContact CG2-O 3.43Å; I256-P259 WeakPolarHBondContact CG2-O 3.21Å; I256-P263 HydrophobicContact CD1-CB 4.01Å; I256-I268 HydrophobicContact CD1-CD1 3.98Å; I256-I268 HydrophobicContact CD1-CG1 4.1Å; I256-F276 HydrophobicContact CD1-CE1 4.47Å; I256-F276 HydrophobicContact CG2-CD1 4.1Å; I256-I278 HydrophobicContact CG1-CG2 4.42Å |
| 257 | S | 83.8 | Confident | 84.9 | Confident | 38 Ų | 38 | 59.4 Ų | 59.4 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -43.6 | 172.3 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | L255 E277 | L255-S257 PolarHBondContact O-N 3.43Å; S257-E277 WeakPolarHBondContact CA-O 2.97Å; S257-E277 WeakPolarHBondContact CB-O 3.45Å; S257-E277 PolarHBondContact N-O 3.19Å; S257-E277 PolarHBondContact OG-OE2 2.72Å |
| 258 | K | 78.5 | Confident | 84.6 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 142.9 | 177.8 | -58.5 | -174.8 | -172.7 | -174.4 | 0 | 110.7 | E105 I256 F276 E277 | E105-K258 IonicContact OE1-NZ 3.74Å; E105-K258 PolarHBondContact OE1-NZ 3.46Å; E105-K258 IonicContact OE2-NZ 2.83Å; E105-K258 PolarHBondContact OE2-NZ 3.13Å; I256-K258 VanDerWaalsContact CG2-O 3.31Å; I256-K258 WeakPolarHBondContact CG2-O 3.43Å; K258-F276 CarbonylContact O-C 3.54Å; K258-F276 VanDerWaalsContact O-CA 3.31Å; K258-F276 WeakPolarHBondContact O-CA 3.11Å; K258-E277 HydrophobicContact CB-CB 3.98Å; K258-E277 HydrophobicContact CG-CB 4.3Å; K258-E277 PolarHBondContact N-O 2.78Å; K258-E277 PolarHBondContact O-N 3.24Å |
| 259 | P | 75.7 | Confident | 84.1 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | S | Bend | cis | -66.5 | 154.8 | -14.4 | 30.1 | -34.5 | 0 | 0 | 0 | 111.1 | I256 T261 N271 F276 | I256-P259 WeakPolarHBondContact CG2-O 3.21Å; P259-T261 HydrophobicContact CB-CG2 3.96Å; P259-T261 HydrophobicContact CG-CG2 3.84Å; P259-T261 PolarHBondContact O-N 3.23Å; P259-T261 PolarHBondContact O-OG1 2.92Å; P259-T261 VanDerWaalsContact O-OG1 3.07Å; P259-N271 HydrophobicContact CG-CB 4Å; P259-F276 HydrophobicContact CG-CD1 4.47Å; P259-F276 HydrophobicContact CG-CE1 4Å; P259-F276 HydrophobicContact CG-CZ 4.16Å |
| 260 | K | 73.2 | Confident | 83.4 | Confident | 206 Ų | 206 | 54.9 Ų | 54.9 | 90% | 0.896 | 29% | 0.289 | S | S | * | . | trans | -70.5 | 83.1 | 177 | -69.6 | -174.8 | 179.8 | -178.2 | 0 | 110.3 | ||||
| 261 | T | 73.7 | Confident | 82.6 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 15% | 0.153 | 29% | 0.293 | C | S | . | . | trans | -132.4 | 154.1 | -173.7 | 52.1 | 0 | 0 | 0 | 0 | 108.4 | P259 N271 | P259-T261 HydrophobicContact CB-CG2 3.96Å; P259-T261 HydrophobicContact CG-CG2 3.84Å; P259-T261 PolarHBondContact O-N 3.23Å; P259-T261 PolarHBondContact O-OG1 2.92Å; P259-T261 VanDerWaalsContact O-OG1 3.07Å; T261-N271 VanDerWaalsContact CG2-ND2 3.28Å; T261-N271 WeakPolarHBondContact CG2-ND2 3.45Å | ||
| 262 | N | 79.2 | Confident | 82 | Confident | 101 Ų | 101 | 56.3 Ų | 56.3 | 54% | 0.54 | 29% | 0.288 | S | S | . | . | trans | -69.5 | 142.9 | 171.2 | -56 | -48.9 | 0 | 0 | 0 | 108.3 | T264 E267 | N262-T264 HydrophobicContact CB-CG2 4.37Å; N262-T264 PolarHBondContact O-N 2.97Å; N262-E267 WeakPolarHBondContact CA-OE2 3.45Å; N262-E267 WeakPolarHBondContact CB-OE1 3.33Å; N262-E267 WeakPolarHBondContact CB-OE2 3.3Å; N262-E267 PolarHBondContact N-OE2 3.34Å; N262-E267 PolarHBondContact ND2-OE1 3.41Å | ||
| 263 | P | 81.9 | Confident | 81.1 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -79.1 | 58.2 | -178.1 | 34.4 | -37 | 0 | 0 | 0 | 111.1 | F250 V251 I256 | F250-P263 HydrophobicContact CD1-CB 4.15Å; F250-P263 HydrophobicContact CE1-CB 4.2Å; V251-P263 HydrophobicContact CB-CG 4.34Å; V251-P263 HydrophobicContact CG1-CG 3.8Å; V251-P263 HydrophobicContact CG2-CB 3.9Å; V251-P263 HydrophobicContact CG2-CG 3.61Å; I256-P263 HydrophobicContact CD1-CB 4.01Å |
| 264 | T | 86.3 | Confident | 80.4 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 37% | 0.368 | 29% | 0.289 | S | S | . | . | trans | -106 | 151.2 | 173.5 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | N262 D266 E267 I268 | N262-T264 HydrophobicContact CB-CG2 4.37Å; N262-T264 PolarHBondContact O-N 2.97Å; T264-D266 VanDerWaalsContact C-N 3.3Å; T264-D266 PolarHBondContact O-N 3.25Å; T264-E267 PolarHBondContact O-N 2.65Å; T264-E267 WeakPolarHBondContact OG1-CB 3.11Å; T264-E267 WeakPolarHBondContact OG1-CG 3.35Å; T264-E267 PolarHBondContact OG1-N 3.01Å; T264-I268 VanDerWaalsContact O-CG1 3.31Å; T264-I268 WeakPolarHBondContact O-CG1 3.41Å; T264-I268 PolarHBondContact O-N 2.91Å | ||
| 265 | F | 86 | Confident | 79.9 | Confident | 25 Ų | 25 | 59.7 Ų | 59.7 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.9 | -44.8 | -178 | -176 | -88.1 | 0 | 0 | 0 | 112.1 | K227 M229 I268 H269 Y308 L315 | K227-F265 HydrophobicContact CB-CD2 4.47Å; K227-F265 HydrophobicContact CG-CD2 4.35Å; K227-F265 HydrophobicContact CG-CE1 4.39Å; K227-F265 HydrophobicContact CG-CE2 4.03Å; K227-F265 HydrophobicContact CG-CZ 4.07Å; M229-F265 HydrophobicContact SD-CB 4.24Å; F265-I268 PolarHBondContact O-N 3.46Å; F265-H269 WeakPolarHBondContact O-CB 3.47Å; F265-H269 PolarHBondContact O-N 3.41Å; F265-Y308 HydrophobicContact CE1-CE2 4.39Å; F265-Y308 AromaticContact CZ-CD2 3.86Å; F265-Y308 HydrophobicContact CZ-CD2 3.86Å; F265-Y308 AromaticContact CZ-CE2 3.64Å; F265-Y308 HydrophobicContact CZ-CE2 3.64Å; F265-L315 HydrophobicContact CD2-CD1 3.46Å; F265-L315 VanDerWaalsContact CD2-CD1 3.46Å; F265-L315 HydrophobicContact CD2-CG 3.98Å; F265-L315 HydrophobicContact CE2-CB 4.48Å; F265-L315 HydrophobicContact CE2-CD1 3.58Å; F265-L315 HydrophobicContact CE2-CG 3.53Å; F265-L315 HydrophobicContact CG-CD1 4.18Å; F265-L315 HydrophobicContact CZ-CD1 4.33Å; F265-L315 HydrophobicContact CZ-CG 4.11Å |
| 266 | D | 83.6 | Confident | 79.8 | Confident | 116 Ų | 116 | 55 Ų | 55 | 62% | 0.62 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67 | -42.3 | -178.1 | -61.4 | -33.5 | 0 | 0 | 0 | 112.2 | T264 H269 L270 | T264-D266 VanDerWaalsContact C-N 3.3Å; T264-D266 PolarHBondContact O-N 3.25Å; D266-H269 PolarHBondContact O-N 2.87Å; D266-L270 WeakPolarHBondContact O-CB 3.35Å; D266-L270 VanDerWaalsContact O-CG 3.28Å; D266-L270 WeakPolarHBondContact O-CG 3.49Å; D266-L270 PolarHBondContact O-N 2.93Å |
| 267 | E | 81.6 | Confident | 79.8 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 177.7 | -73 | -171 | -150.1 | 0 | 0 | 112 | N262 T264 N271 | N262-E267 WeakPolarHBondContact CA-OE2 3.45Å; N262-E267 WeakPolarHBondContact CB-OE1 3.33Å; N262-E267 WeakPolarHBondContact CB-OE2 3.3Å; N262-E267 PolarHBondContact N-OE2 3.34Å; N262-E267 PolarHBondContact ND2-OE1 3.41Å; T264-E267 PolarHBondContact O-N 2.65Å; T264-E267 WeakPolarHBondContact OG1-CB 3.11Å; T264-E267 WeakPolarHBondContact OG1-CG 3.35Å; T264-E267 PolarHBondContact OG1-N 3.01Å; E267-N271 PolarHBondContact O-N 3Å; E267-N271 PolarHBondContact O-ND2 3.46Å |
| 268 | I | 83.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 175.3 | -65.6 | 168.2 | 0 | 0 | 0 | 110.2 | M229 I256 T264 F265 L270 N271 R272 F276 M306 L315 | M229-I268 HydrophobicContact CE-CD1 3.3Å; M229-I268 HydrophobicContact SD-CD1 3.99Å; I256-I268 HydrophobicContact CD1-CD1 3.98Å; I256-I268 HydrophobicContact CD1-CG1 4.1Å; T264-I268 VanDerWaalsContact O-CG1 3.31Å; T264-I268 WeakPolarHBondContact O-CG1 3.41Å; T264-I268 PolarHBondContact O-N 2.91Å; F265-I268 PolarHBondContact O-N 3.46Å; I268-L270 VanDerWaalsContact C-N 3.32Å; I268-L270 PolarHBondContact O-N 2.8Å; I268-N271 CarbonylContact O-C 3.55Å; I268-N271 PolarHBondContact O-N 3.16Å; I268-N271 VanDerWaalsContact O-N 3.08Å; I268-R272 PolarHBondContact O-N 3.4Å; I268-F276 HydrophobicContact CB-CZ 4.44Å; I268-F276 HydrophobicContact CG1-CE1 4.26Å; I268-F276 HydrophobicContact CG2-CE1 4.07Å; I268-F276 HydrophobicContact CG2-CZ 3.84Å; I268-M306 HydrophobicContact CG2-CB 3.92Å; I268-M306 HydrophobicContact CG2-CG 3.76Å; I268-M306 HydrophobicContact CG2-SD 4.11Å; I268-L315 HydrophobicContact CB-CD1 4.11Å; I268-L315 HydrophobicContact CG2-CD1 3.76Å |
| 269 | H | 81.3 | Confident | 80.8 | Confident | 48 Ų | 48 | 51.6 Ų | 51.6 | 22% | 0.222 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 179 | -176.1 | 75.4 | 0 | 0 | 0 | 112.9 | F265 D266 N271 R272 Y308 | F265-H269 WeakPolarHBondContact O-CB 3.47Å; F265-H269 PolarHBondContact O-N 3.41Å; D266-H269 PolarHBondContact O-N 2.87Å; H269-N271 VanDerWaalsContact C-N 3.31Å; H269-R272 PolarHBondContact CD2-NH1 2.88Å; H269-R272 PolarHBondContact CE1-NH1 3.26Å; H269-R272 PolarHBondContact NE2-NH1 3Å; H269-R272 VanDerWaalsContact O-CG 3.31Å; H269-R272 WeakPolarHBondContact O-CG 3.33Å; H269-R272 PolarHBondContact O-NH1 3.17Å; H269-R272 VanDerWaalsContact O-NH1 3.1Å; H269-Y308 AromaticContact CE1-CD1 3.37Å; H269-Y308 WeakPolarHBondContact CE1-CD1 3.48Å; H269-Y308 AromaticContact CE1-CE1 3.99Å; H269-Y308 AromaticContact CE1-CG 3.53Å; H269-Y308 AromaticContact ND1-CD1 3.87Å; H269-Y308 AromaticContact ND1-CG 3.52Å |
| 270 | L | 75.6 | Confident | 81.5 | Confident | 98 Ų | 98 | 51 Ų | 51 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.4 | -33.4 | 173.1 | -75.1 | 170.3 | 0 | 0 | 0 | 112.4 | D266 I268 | D266-L270 WeakPolarHBondContact O-CB 3.35Å; D266-L270 VanDerWaalsContact O-CG 3.28Å; D266-L270 WeakPolarHBondContact O-CG 3.49Å; D266-L270 PolarHBondContact O-N 2.93Å; I268-L270 VanDerWaalsContact C-N 3.32Å; I268-L270 PolarHBondContact O-N 2.8Å |
| 271 | N | 76.1 | Confident | 82.1 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 12.6 | -176.4 | -67.2 | -55.7 | 0 | 0 | 0 | 114.2 | Q120 P259 T261 E267 I268 H269 F273 T274 F276 | Q120-N271 PolarHBondContact NE2-OD1 3.41Å; P259-N271 HydrophobicContact CG-CB 4Å; T261-N271 VanDerWaalsContact CG2-ND2 3.28Å; T261-N271 WeakPolarHBondContact CG2-ND2 3.45Å; E267-N271 PolarHBondContact O-N 3Å; E267-N271 PolarHBondContact O-ND2 3.46Å; I268-N271 CarbonylContact O-C 3.55Å; I268-N271 PolarHBondContact O-N 3.16Å; I268-N271 VanDerWaalsContact O-N 3.08Å; H269-N271 VanDerWaalsContact C-N 3.31Å; N271-F273 PolarHBondContact O-N 2.98Å; N271-T274 PolarHBondContact O-N 3.19Å; N271-T274 PolarHBondContact O-OG1 2.88Å; N271-F276 HydrophobicContact CB-CZ 3.93Å; N271-F276 VanDerWaalsContact O-CE2 3.25Å; N271-F276 WeakPolarHBondContact O-CE2 3.41Å |
| 272 | R | 74.7 | Confident | 82.2 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -24.8 | -174.9 | 67.5 | 175.3 | 179.8 | -102.3 | 12.7 | 115.5 | I268 H269 T274 M306 | I268-R272 PolarHBondContact O-N 3.4Å; H269-R272 PolarHBondContact CD2-NH1 2.88Å; H269-R272 PolarHBondContact CE1-NH1 3.26Å; H269-R272 PolarHBondContact NE2-NH1 3Å; H269-R272 VanDerWaalsContact O-CG 3.31Å; H269-R272 WeakPolarHBondContact O-CG 3.33Å; H269-R272 PolarHBondContact O-NH1 3.17Å; H269-R272 VanDerWaalsContact O-NH1 3.1Å; R272-T274 VanDerWaalsContact C-N 3.28Å; R272-T274 PolarHBondContact O-N 3.28Å; R272-M306 VanDerWaalsContact CB-O 3.28Å; R272-M306 WeakPolarHBondContact CB-O 3.31Å |
| 273 | F | 69.3 | Low | 81.5 | Confident | 90 Ų | 90 | 47.2 Ų | 47.2 | 40% | 0.395 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -1.8 | 179.9 | -55.3 | -73.3 | 0 | 0 | 0 | 113.6 | H98 N271 | H98-F273 HydrophobicContact CB-CB 4.25Å; H98-F273 AromaticContact CE1-CD2 3.41Å; H98-F273 VanDerWaalsContact CE1-CD2 3.41Å; H98-F273 WeakPolarHBondContact CE1-CD2 3.45Å; H98-F273 AromaticContact CE1-CE2 3.69Å; H98-F273 AromaticContact CE1-CG 3.78Å; H98-F273 AromaticContact ND1-CD2 3.5Å; H98-F273 AromaticContact ND1-CG 3.48Å; H98-F273 WeakPolarHBondContact ND1-CG 3.24Å; N271-F273 PolarHBondContact O-N 2.98Å |
| 274 | T | 74.8 | Confident | 79.9 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 8% | 0.08 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -101.7 | 143.3 | 176.1 | 62.6 | 0 | 0 | 0 | 0 | 110 | N271 R272 F276 | N271-T274 PolarHBondContact O-N 3.19Å; N271-T274 PolarHBondContact O-OG1 2.88Å; R272-T274 VanDerWaalsContact C-N 3.28Å; R272-T274 PolarHBondContact O-N 3.28Å; T274-F276 WeakPolarHBondContact O-CD2 3.48Å; T274-F276 WeakPolarHBondContact O-CE2 3.38Å; T274-F276 PolarHBondContact O-N 3.3Å |
| 275 | T | 81.4 | Confident | 77.7 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 122.3 | 170.9 | -58.5 | 0 | 0 | 0 | 0 | 110 | E102 K303 | E102-T275 WeakPolarHBondContact OE1-CB 3.14Å; E102-T275 PolarHBondContact OE1-N 2.81Å; E102-T275 PolarHBondContact OE1-OG1 2.78Å; E102-T275 PolarHBondContact OE2-OG1 2.8Å; T275-K303 HydrophobicContact CG2-CB 4.28Å |
| 276 | F | 87.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 134 | 174.7 | -77.6 | -102.2 | 0 | 0 | 0 | 110.1 | I256 K258 P259 I268 N271 T274 I278 K303 G304 M306 F317 | I256-F276 HydrophobicContact CD1-CE1 4.47Å; I256-F276 HydrophobicContact CG2-CD1 4.1Å; K258-F276 CarbonylContact O-C 3.54Å; K258-F276 VanDerWaalsContact O-CA 3.31Å; K258-F276 WeakPolarHBondContact O-CA 3.11Å; P259-F276 HydrophobicContact CG-CD1 4.47Å; P259-F276 HydrophobicContact CG-CE1 4Å; P259-F276 HydrophobicContact CG-CZ 4.16Å; I268-F276 HydrophobicContact CB-CZ 4.44Å; I268-F276 HydrophobicContact CG1-CE1 4.26Å; I268-F276 HydrophobicContact CG2-CE1 4.07Å; I268-F276 HydrophobicContact CG2-CZ 3.84Å; N271-F276 HydrophobicContact CB-CZ 3.93Å; N271-F276 VanDerWaalsContact O-CE2 3.25Å; N271-F276 WeakPolarHBondContact O-CE2 3.41Å; T274-F276 WeakPolarHBondContact O-CD2 3.48Å; T274-F276 WeakPolarHBondContact O-CE2 3.38Å; T274-F276 PolarHBondContact O-N 3.3Å; F276-I278 HydrophobicContact CB-CG2 4.5Å; F276-K303 CarbonylContact O-C 3.57Å; F276-K303 VanDerWaalsContact O-CA 3.29Å; F276-K303 WeakPolarHBondContact O-CA 3.48Å; F276-G304 PolarHBondContact N-O 3.35Å; F276-G304 PolarHBondContact O-N 2.96Å; F276-M306 HydrophobicContact CB-CG 4.33Å; F276-M306 HydrophobicContact CD1-CE 4.4Å; F276-M306 HydrophobicContact CD1-CG 4.01Å; F276-M306 HydrophobicContact CD2-CB 3.84Å; F276-M306 HydrophobicContact CD2-CG 3.42Å; F276-M306 VanDerWaalsContact CD2-CG 3.42Å; F276-M306 HydrophobicContact CE1-CG 4.18Å; F276-M306 HydrophobicContact CE2-CB 3.71Å; F276-M306 HydrophobicContact CE2-CG 3.61Å; F276-M306 HydrophobicContact CG-CG 3.65Å; F276-M306 HydrophobicContact CZ-CB 4.31Å; F276-M306 HydrophobicContact CZ-CG 3.99Å; F276-F317 HydrophobicContact CB-CE2 4.08Å |
| 277 | E | 89.2 | Confident | 72.9 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.065 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 111.1 | 164.6 | -171.7 | -175.3 | -168.3 | 0 | 0 | 108.4 | S257 K258 R301 F302 K303 | S257-E277 WeakPolarHBondContact CA-O 2.97Å; S257-E277 WeakPolarHBondContact CB-O 3.45Å; S257-E277 PolarHBondContact N-O 3.19Å; S257-E277 PolarHBondContact OG-OE2 2.72Å; K258-E277 HydrophobicContact CB-CB 3.98Å; K258-E277 HydrophobicContact CG-CB 4.3Å; K258-E277 PolarHBondContact N-O 2.78Å; K258-E277 PolarHBondContact O-N 3.24Å; E277-R301 WeakPolarHBondContact OE1-CD 3.44Å; E277-F302 CarbonylContact C-O 3.55Å; E277-F302 VanDerWaalsContact CA-O 3.26Å; E277-F302 WeakPolarHBondContact CA-O 3.27Å; E277-K303 HydrophobicContact CB-CG 4.24Å; E277-K303 HydrophobicContact CG-CG 4.12Å |
| 278 | I | 91.8 | Very high | 70.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 142.8 | 177.5 | 66.8 | 174.4 | 0 | 0 | 0 | 110.5 | L223 F238 F250 F254 L255 I256 F276 R301 F302 M306 F317 | L223-I278 HydrophobicContact CD1-CD1 3.72Å; F238-I278 HydrophobicContact CZ-CD1 4.29Å; F250-I278 HydrophobicContact CZ-CG2 4.09Å; F254-I278 HydrophobicContact CD1-CB 4.47Å; F254-I278 HydrophobicContact CD1-CD1 3.83Å; F254-I278 HydrophobicContact CD1-CG1 4.25Å; F254-I278 HydrophobicContact CE1-CD1 4.05Å; F254-I278 HydrophobicContact CG-CD1 4.42Å; L255-I278 CarbonylContact O-C 3.56Å; L255-I278 WeakPolarHBondContact O-CA 3.14Å; I256-I278 HydrophobicContact CG1-CG2 4.42Å; F276-I278 HydrophobicContact CB-CG2 4.5Å; I278-R301 CarbonylContact O-C 2.95Å; I278-R301 WeakPolarHBondContact O-CA 3.26Å; I278-F302 HydrophobicContact CD1-CB 4.43Å; I278-F302 HydrophobicContact CG1-CB 3.78Å; I278-F302 HydrophobicContact CG1-CD2 4.32Å; I278-F302 HydrophobicContact CG1-CG 4.45Å; I278-F302 PolarHBondContact N-O 2.86Å; I278-F302 PolarHBondContact O-N 2.93Å; I278-M306 HydrophobicContact CG2-CE 4.44Å; I278-F317 HydrophobicContact CD1-CD1 3.82Å; I278-F317 HydrophobicContact CD1-CE1 3.49Å; I278-F317 VanDerWaalsContact CD1-CE1 3.49Å; I278-F317 HydrophobicContact CD1-CE2 4.22Å; I278-F317 HydrophobicContact CD1-CG 4.32Å; I278-F317 HydrophobicContact CD1-CZ 3.7Å; I278-F317 HydrophobicContact CG1-CE1 4.09Å; I278-F317 HydrophobicContact CG1-CE2 4.44Å; I278-F317 HydrophobicContact CG1-CZ 3.86Å |
| 279 | I | 91.1 | Very high | 68 | Low | 28 Ų | 28 | 75.4 Ų | 75.4 | 14% | 0.144 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.6 | -179.6 | -52.7 | -169.3 | 0 | 0 | 0 | 108 | F254 L255 L281 N299 R301 | F254-I279 CarbonylContact C-O 3.58Å; F254-I279 VanDerWaalsContact CA-O 3.28Å; F254-I279 WeakPolarHBondContact CA-O 3.28Å; L255-I279 HydrophobicContact CB-CB 4.39Å; L255-I279 PolarHBondContact N-O 3.3Å; L255-I279 PolarHBondContact O-N 3.15Å; I279-L281 PolarHBondContact O-N 3.42Å; I279-N299 HydrophobicContact CG2-CB 3.48Å; I279-N299 VanDerWaalsContact CG2-CB 3.48Å; I279-R301 HydrophobicContact CD1-CG 4.44Å; I279-R301 HydrophobicContact CG1-CG 4.14Å |
| 280 | L | 90.3 | Very high | 65.8 | Low | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.016 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 123.3 | 171.9 | 179.4 | 65.9 | 0 | 0 | 0 | 109.5 | L241 R242 I245 F254 N299 C300 F302 | L241-L280 HydrophobicContact CB-CD2 3.79Å; L241-L280 HydrophobicContact CD1-CD2 4.33Å; R242-L280 HydrophobicContact CB-CD2 4.16Å; I245-L280 HydrophobicContact CD1-CD1 3.75Å; I245-L280 HydrophobicContact CG1-CD1 4.41Å; F254-L280 HydrophobicContact CD1-CB 4.24Å; F254-L280 HydrophobicContact CD1-CD1 4.12Å; F254-L280 HydrophobicContact CE1-CB 3.96Å; F254-L280 HydrophobicContact CE1-CD1 3.56Å; F254-L280 HydrophobicContact CE1-CG 4.34Å; F254-L280 HydrophobicContact CE2-CD1 4.4Å; F254-L280 HydrophobicContact CZ-CD1 3.73Å; L280-N299 WeakPolarHBondContact O-CB 3.23Å; L280-C300 PolarHBondContact N-O 2.68Å; L280-F302 HydrophobicContact CB-CE2 3.87Å |
| 281 | L | 86.3 | Confident | 63.9 | Low | 54 Ų | 54 | 81.4 Ų | 81.4 | 28% | 0.283 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 123.8 | -179.9 | -59.1 | 174.6 | 0 | 0 | 0 | 110.2 | R242 C253 L255 I279 | R242-L281 PolarHBondContact NH1-O 2.73Å; C253-L281 WeakPolarHBondContact O-CB 3.46Å; C253-L281 PolarHBondContact O-N 3.04Å; L255-L281 HydrophobicContact CB-CD2 4.16Å; I279-L281 PolarHBondContact O-N 3.42Å |
| 282 | N | 74.1 | Confident | 61.8 | Low | 64 Ų | 64 | 88.5 Ų | 88.5 | 34% | 0.342 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 150.5 | 172.4 | -77.6 | -1.4 | 0 | 0 | 0 | 111.2 | V284 E298 | N282-V284 PolarHBondContact O-N 2.67Å; N282-E298 VanDerWaalsContact ND2-CB 3.27Å; N282-E298 WeakPolarHBondContact ND2-CB 3.37Å; N282-E298 PolarHBondContact ND2-OE2 2.79Å |
| 283 | K | 64.3 | Low | 59.7 | Low | 134 Ų | 134 | 88.4 Ų | 88.4 | 58% | 0.583 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 125.4 | 168.8 | -81.8 | -176.7 | 177.5 | 170.2 | 0 | 108.3 | D244 S285 | D244-K283 VanDerWaalsContact CG-CE 3.44Å; D244-K283 IonicContact OD1-NZ 2.67Å; D244-K283 WeakPolarHBondContact OD2-CE 3.42Å; D244-K283 IonicContact OD2-NZ 3Å; D244-K283 PolarHBondContact OD2-NZ 3.14Å; K283-S285 PolarHBondContact O-N 2.84Å |
| 284 | V | 49.8 | Very low | 58 | Low | 130 Ų | 130 | 88.9 Ų | 88.9 | 79% | 0.788 | 48% | 0.481 | S | S | * | . | trans | -63 | 92.9 | 161.5 | -177.4 | 0 | 0 | 0 | 0 | 106.1 | N282 S286 | N282-V284 PolarHBondContact O-N 2.67Å; V284-S286 VanDerWaalsContact C-N 3.31Å; V284-S286 PolarHBondContact O-N 3.31Å | ||
| 285 | S | 40 | Very low | 56 | Low | 95 Ų | 95 | 99.8 Ų | 99.8 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | trans | -62.6 | 101.1 | 167.3 | 54.5 | 0 | 0 | 0 | 0 | 106.6 | K283 K287 | K283-S285 PolarHBondContact O-N 2.84Å; S285-K287 PolarHBondContact O-N 2.79Å | ||
| 286 | S | 34.5 | Very low | 53.8 | Low | 107 Ų | 107 | 102.8 Ų | 102.8 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -69.5 | 65.4 | 173.2 | 46.3 | 0 | 0 | 0 | 0 | 109.8 | V284 | V284-S286 VanDerWaalsContact C-N 3.31Å; V284-S286 PolarHBondContact O-N 3.31Å |
| 287 | K | 33.7 | Very low | 51.9 | Low | 199 Ų | 199 | 107 Ų | 107 | 87% | 0.865 | 56% | 0.561 | S | S | * | * | trans | 179.8 | 80.2 | 169.5 | -98.8 | 153 | -169.5 | -172 | 0 | 109.3 | S285 | S285-K287 PolarHBondContact O-N 2.79Š| ||
| 288 | S | 33.4 | Very low | 50.1 | Low | 99 Ų | 99 | 113.1 Ų | 113.1 | 69% | 0.692 | 59% | 0.59 | S | S | * | * | trans | 176.4 | 95.8 | 146.2 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | S290 | S288-S290 PolarHBondContact O-N 3.25Å; S288-S290 VanDerWaalsContact O-N 3.13Å | ||
| 289 | R | 29.5 | Very low | 49.1 | Very low | 263 Ų | 263 | 115.8 Ų | 115.8 | 99% | 0.992 | 60% | 0.604 | S | S | * | * | trans | -80.4 | 70.7 | 161.9 | -95.2 | 179.5 | 157.6 | 121.1 | -6.6 | 107 | ||||
| 290 | S | 34.9 | Very low | 48.7 | Very low | 82 Ų | 82 | 114.8 Ų | 114.8 | 57% | 0.573 | 60% | 0.599 | S | S | * | * | trans | -99.4 | 106.4 | 162.3 | 178.3 | 0 | 0 | 0 | 0 | 106.8 | S288 | S288-S290 PolarHBondContact O-N 3.25Å; S288-S290 VanDerWaalsContact O-N 3.13Å | ||
| 291 | K | 36.4 | Very low | 48.7 | Very low | 190 Ų | 190 | 118.4 Ų | 118.4 | 83% | 0.826 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 133 | 166.7 | -75.4 | 178 | 173.7 | 179.5 | 0 | 106.2 | ||
| 292 | N | 30.6 | Very low | 48.9 | Very low | 162 Ų | 162 | 115.9 Ų | 115.9 | 87% | 0.866 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.3 | 13.8 | 166.9 | -56.3 | 2.4 | 0 | 0 | 0 | 118.3 | ||
| 293 | S | 31.3 | Very low | 49.6 | Very low | 87 Ų | 87 | 115.8 Ų | 115.8 | 61% | 0.608 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -100.9 | 110.9 | 150.8 | 65.4 | 0 | 0 | 0 | 0 | 107.9 | R295 | S293-R295 PolarHBondContact O-N 3.42Š|
| 294 | S | 33.8 | Very low | 50.8 | Low | 99 Ų | 99 | 109.8 Ų | 109.8 | 69% | 0.692 | 57% | 0.572 | S | S | * | * | trans | -37.2 | 118 | 160.7 | 45.8 | 0 | 0 | 0 | 0 | 108.1 | V296 | S294-V296 PolarHBondContact O-N 3.37Å; S294-V296 WeakPolarHBondContact OG-CG2 3.14Å | ||
| 295 | R | 32.4 | Very low | 52.6 | Low | 243 Ų | 243 | 108.8 Ų | 108.8 | 92% | 0.917 | 56% | 0.559 | S | S | * | * | trans | -70.6 | 58.2 | 179.5 | -78.6 | 175.8 | 159.3 | 174.4 | -6.9 | 109.4 | S293 D297 | S293-R295 PolarHBondContact O-N 3.42Å; R295-D297 PolarHBondContact O-N 2.91Å | ||
| 296 | V | 35.7 | Very low | 54.9 | Low | 106 Ų | 106 | 104.4 Ų | 104.4 | 64% | 0.642 | 53% | 0.528 | S | S | * | . | trans | -67.3 | 98.9 | -175.1 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | S294 E298 | S294-V296 PolarHBondContact O-N 3.37Å; S294-V296 WeakPolarHBondContact OG-CG2 3.14Å; V296-E298 VanDerWaalsContact C-N 3.3Å; V296-E298 PolarHBondContact O-N 2.87Å | ||
| 297 | D | 46.8 | Very low | 57.5 | Low | 88 Ų | 88 | 102.5 Ų | 102.5 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | trans | 50.6 | 35.3 | 145.1 | -126.7 | 15.1 | 0 | 0 | 0 | 116.6 | R295 N299 R301 K332 | R295-D297 PolarHBondContact O-N 2.91Å; D297-N299 PolarHBondContact O-N 2.87Å; D297-N299 VanDerWaalsContact O-N 3.16Å; D297-R301 IonicContact OD1-NH2 3.63Å; D297-R301 IonicContact OD2-CZ 2.67Å; D297-R301 IonicContact OD2-NH2 3.64Å; D297-R301 PolarHBondContact OD2-NH2 2.79Å; D297-K332 PolarHBondContact O-NZ 2.95Å | ||
| 298 | E | 52 | Low | 60 | Low | 143 Ų | 143 | 95.7 Ų | 95.7 | 67% | 0.668 | 48% | 0.478 | S | S | * | . | trans | -62.7 | -21.3 | 175.2 | -72.6 | -166.3 | 157.8 | 0 | 0 | 112.6 | N282 V296 C300 K332 | N282-E298 VanDerWaalsContact ND2-CB 3.27Å; N282-E298 WeakPolarHBondContact ND2-CB 3.37Å; N282-E298 PolarHBondContact ND2-OE2 2.79Å; V296-E298 VanDerWaalsContact C-N 3.3Å; V296-E298 PolarHBondContact O-N 2.87Å; E298-C300 PolarHBondContact O-N 2.81Å; E298-K332 PolarHBondContact O-NZ 3.4Å | ||
| 299 | N | 70 | Confident | 62.6 | Low | 56 Ų | 56 | 92 Ų | 92 | 30% | 0.299 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -66.4 | 131.3 | 179.1 | -66.3 | -9.3 | 0 | 0 | 0 | 111.1 | I279 L280 D297 K332 | I279-N299 HydrophobicContact CG2-CB 3.48Å; I279-N299 VanDerWaalsContact CG2-CB 3.48Å; L280-N299 WeakPolarHBondContact O-CB 3.23Å; D297-N299 PolarHBondContact O-N 2.87Å; D297-N299 VanDerWaalsContact O-N 3.16Å; N299-K332 PolarHBondContact O-NZ 3.38Å |
| 300 | C | 83.4 | Confident | 65.2 | Low | 6 Ų | 6 | 86.1 Ų | 86.1 | 4% | 0.041 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 130.8 | 175.8 | -164.7 | 0 | 0 | 0 | 0 | 109.2 | L241 L280 E298 F302 K332 | L241-C300 HydrophobicContact CD1-CB 4.24Å; L280-C300 PolarHBondContact N-O 2.68Å; E298-C300 PolarHBondContact O-N 2.81Å; C300-F302 HydrophobicContact CB-CE2 3.77Å; C300-F302 HydrophobicContact CB-CZ 3.9Å; C300-F302 WeakPolarHBondContact O-CE2 3.31Å; C300-F302 VanDerWaalsContact SG-CZ 3.5Å; C300-K332 HydrophobicContact CB-CD 4.4Å |
| 301 | R | 90 | Very high | 67.5 | Low | 80 Ų | 80 | 89.9 Ų | 89.9 | 30% | 0.302 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 141.6 | 177.9 | -61.4 | -175.8 | -119 | -166.8 | -2.6 | 109.4 | E277 I278 I279 D297 P321 V322 | E277-R301 WeakPolarHBondContact OE1-CD 3.44Å; I278-R301 CarbonylContact O-C 2.95Å; I278-R301 WeakPolarHBondContact O-CA 3.26Å; I279-R301 HydrophobicContact CD1-CG 4.44Å; I279-R301 HydrophobicContact CG1-CG 4.14Å; D297-R301 IonicContact OD1-NH2 3.63Å; D297-R301 IonicContact OD2-CZ 2.67Å; D297-R301 IonicContact OD2-NH2 3.64Å; D297-R301 PolarHBondContact OD2-NH2 2.79Å; R301-P321 CarbonylContact O-C 3.55Å; R301-P321 WeakPolarHBondContact O-CA 3.26Å; R301-V322 HydrophobicContact CB-CB 4.28Å; R301-V322 HydrophobicContact CB-CG2 4.35Å; R301-V322 PolarHBondContact O-N 2.91Å |
| 302 | F | 91.2 | Very high | 69.9 | Low | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.4 | 178.3 | -57.2 | -94.1 | 0 | 0 | 0 | 108.6 | F221 F238 L241 E277 I278 L280 C300 F317 T320 P321 | F221-F302 HydrophobicContact CD1-CD1 4Å; F221-F302 AromaticContact CD1-CE1 3.49Å; F221-F302 HydrophobicContact CD1-CE1 3.49Å; F221-F302 VanDerWaalsContact CD1-CE1 3.49Å; F221-F302 HydrophobicContact CE1-CD1 4.48Å; F221-F302 AromaticContact CE1-CE1 3.62Å; F221-F302 HydrophobicContact CE1-CE1 3.62Å; F221-F302 HydrophobicContact CE1-CZ 4.45Å; F221-F302 HydrophobicContact CG-CE1 4.43Å; F238-F302 HydrophobicContact CD1-CE1 4.12Å; F238-F302 HydrophobicContact CD1-CE2 4.19Å; F238-F302 AromaticContact CD1-CZ 3.91Å; F238-F302 HydrophobicContact CD1-CZ 3.91Å; F238-F302 AromaticContact CE1-CD1 3.67Å; F238-F302 HydrophobicContact CE1-CD1 3.67Å; F238-F302 AromaticContact CE1-CD2 3.65Å; F238-F302 HydrophobicContact CE1-CD2 3.65Å; F238-F302 AromaticContact CE1-CE1 3.61Å; F238-F302 HydrophobicContact CE1-CE1 3.61Å; F238-F302 AromaticContact CE1-CE2 3.61Å; F238-F302 HydrophobicContact CE1-CE2 3.61Å; F238-F302 AromaticContact CE1-CG 3.68Å; F238-F302 HydrophobicContact CE1-CG 3.68Å; F238-F302 AromaticContact CE1-CZ 3.58Å; F238-F302 HydrophobicContact CE1-CZ 3.58Å; F238-F302 HydrophobicContact CZ-CB 4.47Å; F238-F302 AromaticContact CZ-CD1 3.84Å; F238-F302 HydrophobicContact CZ-CD1 3.84Å; F238-F302 HydrophobicContact CZ-CD2 4.32Å; F238-F302 HydrophobicContact CZ-CE1 4.16Å; F238-F302 AromaticContact CZ-CG 3.93Å; F238-F302 HydrophobicContact CZ-CG 3.93Å; L241-F302 HydrophobicContact CD1-CE1 4.15Å; L241-F302 HydrophobicContact CD1-CE2 4.47Å; L241-F302 HydrophobicContact CD1-CZ 3.46Å; L241-F302 VanDerWaalsContact CD1-CZ 3.46Å; E277-F302 CarbonylContact C-O 3.55Å; E277-F302 VanDerWaalsContact CA-O 3.26Å; E277-F302 WeakPolarHBondContact CA-O 3.27Å; I278-F302 HydrophobicContact CD1-CB 4.43Å; I278-F302 HydrophobicContact CG1-CB 3.78Å; I278-F302 HydrophobicContact CG1-CD2 4.32Å; I278-F302 HydrophobicContact CG1-CG 4.45Å; I278-F302 PolarHBondContact N-O 2.86Å; I278-F302 PolarHBondContact O-N 2.93Å; L280-F302 HydrophobicContact CB-CE2 3.87Å; C300-F302 HydrophobicContact CB-CE2 3.77Å; C300-F302 HydrophobicContact CB-CZ 3.9Å; C300-F302 WeakPolarHBondContact O-CE2 3.31Å; C300-F302 VanDerWaalsContact SG-CZ 3.5Å; F302-F317 HydrophobicContact CB-CE1 4.19Å; F302-F317 HydrophobicContact CB-CZ 4.18Å; F302-T320 WeakPolarHBondContact CA-O 3.24Å; F302-P321 HydrophobicContact CD1-CB 3.95Å; F302-P321 HydrophobicContact CE1-CB 3.75Å |
| 303 | K | 88.8 | Confident | 72.7 | Confident | 62 Ų | 62 | 82.2 Ų | 82.2 | 27% | 0.27 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.6 | 170.5 | -78.7 | -177.1 | 175.2 | -160.3 | 0 | 109.1 | E105 T275 F276 E277 G319 T320 V322 | E105-K303 IonicContact OE2-NZ 2.78Å; T275-K303 HydrophobicContact CG2-CB 4.28Å; F276-K303 CarbonylContact O-C 3.57Å; F276-K303 VanDerWaalsContact O-CA 3.29Å; F276-K303 WeakPolarHBondContact O-CA 3.48Å; E277-K303 HydrophobicContact CB-CG 4.24Å; E277-K303 HydrophobicContact CG-CG 4.12Å; K303-G319 CarbonylContact O-C 3.58Å; K303-G319 WeakPolarHBondContact O-CA 3.2Å; K303-T320 PolarHBondContact N-O 3.03Å; K303-T320 PolarHBondContact O-N 3.13Å; K303-T320 PolarHBondContact O-OG1 3.46Å; K303-V322 HydrophobicContact CB-CG2 4.01Å; K303-V322 HydrophobicContact CD-CG2 3.84Å; K303-V322 HydrophobicContact CG-CG2 3.58Å |
| 304 | G | 88.8 | Confident | 75.6 | Confident | 9 Ų | 9 | 79.4 Ų | 79.4 | 9% | 0.093 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | -178.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F276 I318 | F276-G304 PolarHBondContact N-O 3.35Å; F276-G304 PolarHBondContact O-N 2.96Å; G304-I318 CarbonylContact C-O 3.56Å; G304-I318 WeakPolarHBondContact CA-O 3.23Å |
| 305 | E | 87.1 | Confident | 78.4 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 149.4 | -178.7 | -64.3 | -174.6 | 158.3 | 0 | 0 | 111 | F317 I318 | E305-F317 WeakPolarHBondContact O-CA 3.19Å; E305-F317 WeakPolarHBondContact O-CD2 3.36Å; E305-I318 PolarHBondContact N-O 3.27Å; E305-I318 PolarHBondContact O-N 3.28Å |
| 306 | M | 88.9 | Confident | 81.3 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 102.1 | 173.6 | -73.5 | -75.3 | -174.3 | 0 | 0 | 108.8 | L225 F250 I268 R272 F276 I278 F317 | L225-M306 HydrophobicContact CD1-SD 4.23Å; F250-M306 HydrophobicContact CZ-CE 4.41Å; I268-M306 HydrophobicContact CG2-CB 3.92Å; I268-M306 HydrophobicContact CG2-CG 3.76Å; I268-M306 HydrophobicContact CG2-SD 4.11Å; R272-M306 VanDerWaalsContact CB-O 3.28Å; R272-M306 WeakPolarHBondContact CB-O 3.31Å; F276-M306 HydrophobicContact CB-CG 4.33Å; F276-M306 HydrophobicContact CD1-CE 4.4Å; F276-M306 HydrophobicContact CD1-CG 4.01Å; F276-M306 HydrophobicContact CD2-CB 3.84Å; F276-M306 HydrophobicContact CD2-CG 3.42Å; F276-M306 VanDerWaalsContact CD2-CG 3.42Å; F276-M306 HydrophobicContact CE1-CG 4.18Å; F276-M306 HydrophobicContact CE2-CB 3.71Å; F276-M306 HydrophobicContact CE2-CG 3.61Å; F276-M306 HydrophobicContact CG-CG 3.65Å; F276-M306 HydrophobicContact CZ-CB 4.31Å; F276-M306 HydrophobicContact CZ-CG 3.99Å; I278-M306 HydrophobicContact CG2-CE 4.44Å; M306-F317 HydrophobicContact CE-CB 3.98Å; M306-F317 HydrophobicContact CE-CD2 3.56Å; M306-F317 HydrophobicContact CE-CE2 4.38Å; M306-F317 HydrophobicContact CE-CG 4.02Å; M306-F317 HydrophobicContact CG-CD2 4.11Å; M306-F317 HydrophobicContact SD-CB 3.68Å; M306-F317 HydrophobicContact SD-CD2 3.77Å; M306-F317 HydrophobicContact SD-CG 4.17Å |
| 307 | I | 88.3 | Confident | 84 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 35% | 0.349 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.3 | -177.6 | -58 | 170.9 | 0 | 0 | 0 | 108.8 | V309 L315 L316 I318 | I307-V309 HydrophobicContact CG2-CG2 4.34Å; I307-L315 CarbonylContact O-C 3.57Å; I307-L315 WeakPolarHBondContact O-CA 3.36Å; I307-L316 PolarHBondContact N-O 3.1Å; I307-L316 PolarHBondContact O-N 2.97Å; I307-I318 HydrophobicContact CD1-CD1 3.95Å; I307-I318 HydrophobicContact CD1-CG1 4.5Å |
| 308 | Y | 87.9 | Confident | 86.2 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 22% | 0.216 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 122.4 | 169.9 | 178.3 | -117.4 | 0 | 0 | 0 | 109.8 | F265 H269 E310 L313 M314 L315 | F265-Y308 HydrophobicContact CE1-CE2 4.39Å; F265-Y308 AromaticContact CZ-CD2 3.86Å; F265-Y308 HydrophobicContact CZ-CD2 3.86Å; F265-Y308 AromaticContact CZ-CE2 3.64Å; F265-Y308 HydrophobicContact CZ-CE2 3.64Å; H269-Y308 AromaticContact CE1-CD1 3.37Å; H269-Y308 WeakPolarHBondContact CE1-CD1 3.48Å; H269-Y308 AromaticContact CE1-CE1 3.99Å; H269-Y308 AromaticContact CE1-CG 3.53Å; H269-Y308 AromaticContact ND1-CD1 3.87Å; H269-Y308 AromaticContact ND1-CG 3.52Å; Y308-E310 HydrophobicContact CD1-CG 3.96Å; Y308-E310 HydrophobicContact CE1-CB 4.37Å; Y308-E310 HydrophobicContact CE1-CG 3.73Å; Y308-L313 VanDerWaalsContact OH-CD2 3.26Å; Y308-L313 WeakPolarHBondContact OH-CD2 3.27Å; Y308-M314 WeakPolarHBondContact CD2-O 3.27Å; Y308-L315 HydrophobicContact CD2-CD2 4.23Å |
| 309 | V | 87.6 | Confident | 88 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 107.9 | 176.9 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | I307 E311 W312 L313 M314 L316 | I307-V309 HydrophobicContact CG2-CG2 4.34Å; V309-E311 VanDerWaalsContact C-N 3.33Å; V309-E311 WeakPolarHBondContact CG1-OE2 3.34Å; V309-E311 PolarHBondContact O-N 2.69Å; V309-W312 HydrophobicContact CB-CB 4.22Å; V309-W312 HydrophobicContact CB-CD2 3.95Å; V309-W312 HydrophobicContact CB-CE3 3.65Å; V309-W312 HydrophobicContact CB-CG 4.23Å; V309-W312 HydrophobicContact CB-CZ3 4.27Å; V309-W312 HydrophobicContact CG1-CB 4.12Å; V309-W312 HydrophobicContact CG1-CD2 3.45Å; V309-W312 VanDerWaalsContact CG1-CD2 3.45Å; V309-W312 HydrophobicContact CG1-CE3 3.6Å; V309-W312 HydrophobicContact CG1-CG 3.7Å; V309-W312 HydrophobicContact CG1-CZ2 4.41Å; V309-W312 HydrophobicContact CG1-CZ3 4.16Å; V309-W312 HydrophobicContact CG2-CD2 4.45Å; V309-W312 HydrophobicContact CG2-CE3 3.72Å; V309-W312 HydrophobicContact CG2-CZ3 3.86Å; V309-W312 PolarHBondContact O-N 2.91Å; V309-L313 PolarHBondContact O-N 2.91Å; V309-M314 PolarHBondContact N-O 3.42Å; V309-M314 PolarHBondContact O-N 3Å; V309-L316 HydrophobicContact CG2-CB 4.28Å |
| 310 | E | 83.3 | Confident | 88.9 | Confident | 140 Ų | 140 | 49.3 Ų | 49.3 | 65% | 0.654 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -41.6 | -172.7 | -64.4 | -167.1 | 167.6 | 0 | 0 | 111.9 | Y308 W312 L313 | Y308-E310 HydrophobicContact CD1-CG 3.96Å; Y308-E310 HydrophobicContact CE1-CB 4.37Å; Y308-E310 HydrophobicContact CE1-CG 3.73Å; E310-W312 PolarHBondContact O-N 3.23Å; E310-L313 WeakPolarHBondContact O-CD2 3.33Å; E310-L313 PolarHBondContact O-N 3.42Å |
| 311 | E | 82.8 | Confident | 89.2 | Confident | 161 Ų | 161 | 49.2 Ų | 49.2 | 75% | 0.752 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -29.8 | -179.2 | -58.8 | 84.5 | 172.3 | 0 | 0 | 112.2 | V309 | V309-E311 VanDerWaalsContact C-N 3.33Å; V309-E311 WeakPolarHBondContact CG1-OE2 3.34Å; V309-E311 PolarHBondContact O-N 2.69Å |
| 312 | W | 86.7 | Confident | 89.1 | Confident | 103 Ų | 103 | 48.5 Ų | 48.5 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -16.1 | 179.7 | -56.8 | -14.5 | 0 | 0 | 0 | 112.4 | F215 L224 V309 E310 M314 L316 | F215-W312 HydrophobicContact CE1-CH2 4.4Å; L224-W312 HydrophobicContact CD1-CE3 3.88Å; L224-W312 HydrophobicContact CD1-CZ3 4.22Å; V309-W312 HydrophobicContact CB-CB 4.22Å; V309-W312 HydrophobicContact CB-CD2 3.95Å; V309-W312 HydrophobicContact CB-CE3 3.65Å; V309-W312 HydrophobicContact CB-CG 4.23Å; V309-W312 HydrophobicContact CB-CZ3 4.27Å; V309-W312 HydrophobicContact CG1-CB 4.12Å; V309-W312 HydrophobicContact CG1-CD2 3.45Å; V309-W312 VanDerWaalsContact CG1-CD2 3.45Å; V309-W312 HydrophobicContact CG1-CE3 3.6Å; V309-W312 HydrophobicContact CG1-CG 3.7Å; V309-W312 HydrophobicContact CG1-CZ2 4.41Å; V309-W312 HydrophobicContact CG1-CZ3 4.16Å; V309-W312 HydrophobicContact CG2-CD2 4.45Å; V309-W312 HydrophobicContact CG2-CE3 3.72Å; V309-W312 HydrophobicContact CG2-CZ3 3.86Å; V309-W312 PolarHBondContact O-N 2.91Å; E310-W312 PolarHBondContact O-N 3.23Å; W312-M314 HydrophobicContact CB-CB 4.09Å; W312-M314 HydrophobicContact CB-CG 4.41Å; W312-M314 WeakPolarHBondContact O-CG 3.17Å; W312-M314 PolarHBondContact O-N 3.13Å; W312-L316 HydrophobicContact CZ3-CD2 4.32Å |
| 313 | L | 90.2 | Very high | 88.8 | Confident | 88 Ų | 88 | 49.2 Ų | 49.2 | 46% | 0.461 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 36.9 | -170.7 | -60.8 | 174.9 | 0 | 0 | 0 | 111.9 | Y308 V309 E310 | Y308-L313 VanDerWaalsContact OH-CD2 3.26Å; Y308-L313 WeakPolarHBondContact OH-CD2 3.27Å; V309-L313 PolarHBondContact O-N 2.91Å; E310-L313 WeakPolarHBondContact O-CD2 3.33Å; E310-L313 PolarHBondContact O-N 3.42Å |
| 314 | M | 91.7 | Very high | 88.4 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 156.5 | -172.5 | -73.6 | -179 | -164.2 | 0 | 0 | 111.3 | L224 L225 T226 K232 Y308 V309 W312 | L224-M314 HydrophobicContact CD1-CB 3.86Å; L224-M314 HydrophobicContact CD1-SD 4.35Å; L224-M314 HydrophobicContact CD2-SD 3.79Å; L224-M314 HydrophobicContact CG-CB 4.29Å; L224-M314 HydrophobicContact CG-SD 3.87Å; L225-M314 WeakPolarHBondContact O-CA 3.21Å; L225-M314 WeakPolarHBondContact O-CB 3.22Å; L225-M314 WeakPolarHBondContact O-CG 3.3Å; T226-M314 HydrophobicContact CG2-CE 4.06Å; T226-M314 HydrophobicContact CG2-SD 4.44Å; K232-M314 HydrophobicContact CD-CE 3.68Å; K232-M314 HydrophobicContact CD-SD 3.74Å; Y308-M314 WeakPolarHBondContact CD2-O 3.27Å; V309-M314 PolarHBondContact N-O 3.42Å; V309-M314 PolarHBondContact O-N 3Å; W312-M314 HydrophobicContact CB-CB 4.09Å; W312-M314 HydrophobicContact CB-CG 4.41Å; W312-M314 WeakPolarHBondContact O-CG 3.17Å; W312-M314 PolarHBondContact O-N 3.13Å |
| 315 | L | 92.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.5 | 170.3 | -69.1 | 163.4 | 0 | 0 | 0 | 109.1 | L225 F265 I268 I307 Y308 | L225-L315 HydrophobicContact CB-CB 4.22Å; L225-L315 HydrophobicContact CD1-CB 4.19Å; L225-L315 PolarHBondContact N-O 2.91Å; L225-L315 PolarHBondContact O-N 3.03Å; F265-L315 HydrophobicContact CD2-CD1 3.46Å; F265-L315 VanDerWaalsContact CD2-CD1 3.46Å; F265-L315 HydrophobicContact CD2-CG 3.98Å; F265-L315 HydrophobicContact CE2-CB 4.48Å; F265-L315 HydrophobicContact CE2-CD1 3.58Å; F265-L315 HydrophobicContact CE2-CG 3.53Å; F265-L315 HydrophobicContact CG-CD1 4.18Å; F265-L315 HydrophobicContact CZ-CD1 4.33Å; F265-L315 HydrophobicContact CZ-CG 4.11Å; I268-L315 HydrophobicContact CB-CD1 4.11Å; I268-L315 HydrophobicContact CG2-CD1 3.76Å; I307-L315 CarbonylContact O-C 3.57Å; I307-L315 WeakPolarHBondContact O-CA 3.36Å; Y308-L315 HydrophobicContact CD2-CD2 4.23Å |
| 316 | L | 93.1 | Very high | 87.9 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 110.1 | 173.2 | 177.6 | 65.7 | 0 | 0 | 0 | 108.3 | L216 H222 L223 L224 I307 V309 W312 I318 | L216-L316 HydrophobicContact CD2-CD1 4.32Å; H222-L316 HydrophobicContact CB-CD1 4.16Å; L223-L316 CarbonylContact O-C 3.48Å; L223-L316 WeakPolarHBondContact O-CA 3.47Å; L224-L316 HydrophobicContact CD1-CB 4.3Å; L224-L316 HydrophobicContact CD1-CD1 4.28Å; I307-L316 PolarHBondContact N-O 3.1Å; I307-L316 PolarHBondContact O-N 2.97Å; V309-L316 HydrophobicContact CG2-CB 4.28Å; W312-L316 HydrophobicContact CZ3-CD2 4.32Å; L316-I318 HydrophobicContact CD2-CD1 3.85Å; L316-I318 HydrophobicContact CD2-CG1 4.02Å; L316-I318 HydrophobicContact CG-CD1 4.28Å; L316-I318 HydrophobicContact CG-CG1 3.88Å |
| 317 | F | 93.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 129.4 | 165.9 | -179 | -105.7 | 0 | 0 | 0 | 109.1 | H222 L223 F238 F276 I278 F302 E305 M306 | H222-F317 CarbonylContact C-O 3.6Å; H222-F317 WeakPolarHBondContact CA-O 3.48Å; L223-F317 HydrophobicContact CB-CB 3.95Å; L223-F317 HydrophobicContact CD1-CB 4.4Å; L223-F317 HydrophobicContact CD1-CD1 4.04Å; L223-F317 HydrophobicContact CD1-CG 4.46Å; L223-F317 HydrophobicContact CG-CB 4.38Å; L223-F317 HydrophobicContact CG-CD1 4.18Å; L223-F317 PolarHBondContact N-O 3.36Å; L223-F317 PolarHBondContact O-N 3.27Å; F238-F317 HydrophobicContact CE2-CD1 4.29Å; F238-F317 HydrophobicContact CE2-CE1 4.42Å; F238-F317 HydrophobicContact CZ-CD1 4.15Å; F238-F317 AromaticContact CZ-CE1 3.92Å; F238-F317 HydrophobicContact CZ-CE1 3.92Å; F276-F317 HydrophobicContact CB-CE2 4.08Å; I278-F317 HydrophobicContact CD1-CD1 3.82Å; I278-F317 HydrophobicContact CD1-CE1 3.49Å; I278-F317 VanDerWaalsContact CD1-CE1 3.49Å; I278-F317 HydrophobicContact CD1-CE2 4.22Å; I278-F317 HydrophobicContact CD1-CG 4.32Å; I278-F317 HydrophobicContact CD1-CZ 3.7Å; I278-F317 HydrophobicContact CG1-CE1 4.09Å; I278-F317 HydrophobicContact CG1-CE2 4.44Å; I278-F317 HydrophobicContact CG1-CZ 3.86Å; F302-F317 HydrophobicContact CB-CE1 4.19Å; F302-F317 HydrophobicContact CB-CZ 4.18Å; E305-F317 WeakPolarHBondContact O-CA 3.19Å; E305-F317 WeakPolarHBondContact O-CD2 3.36Å; M306-F317 HydrophobicContact CE-CB 3.98Å; M306-F317 HydrophobicContact CE-CD2 3.56Å; M306-F317 HydrophobicContact CE-CE2 4.38Å; M306-F317 HydrophobicContact CE-CG 4.02Å; M306-F317 HydrophobicContact CG-CD2 4.11Å; M306-F317 HydrophobicContact SD-CB 3.68Å; M306-F317 HydrophobicContact SD-CD2 3.77Å; M306-F317 HydrophobicContact SD-CG 4.17Å |
| 318 | I | 91.7 | Very high | 87.5 | Confident | 49 Ų | 49 | 58.3 Ų | 58.3 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 120.7 | 168.4 | -54.4 | -179.3 | 0 | 0 | 0 | 106.9 | L219 G304 E305 I307 L316 | L219-I318 HydrophobicContact CD1-CD1 3.92Å; L219-I318 HydrophobicContact CD1-CG1 4.38Å; L219-I318 HydrophobicContact CD2-CG2 4.33Å; G304-I318 CarbonylContact C-O 3.56Å; G304-I318 WeakPolarHBondContact CA-O 3.23Å; E305-I318 PolarHBondContact N-O 3.27Å; E305-I318 PolarHBondContact O-N 3.28Å; I307-I318 HydrophobicContact CD1-CD1 3.95Å; I307-I318 HydrophobicContact CD1-CG1 4.5Å; L316-I318 HydrophobicContact CD2-CD1 3.85Å; L316-I318 HydrophobicContact CD2-CG1 4.02Å; L316-I318 HydrophobicContact CG-CD1 4.28Å; L316-I318 HydrophobicContact CG-CG1 3.88Å |
| 319 | G | 90.4 | Very high | 87.4 | Confident | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | -177.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F221 K303 N340 | F221-G319 VanDerWaalsContact CB-O 3.22Å; F221-G319 WeakPolarHBondContact CB-O 3.3Å; F221-G319 PolarHBondContact O-N 2.9Å; F221-G319 VanDerWaalsContact O-N 3.12Å; K303-G319 CarbonylContact O-C 3.58Å; K303-G319 WeakPolarHBondContact O-CA 3.2Å; G319-N340 PolarHBondContact O-ND2 2.85Å |
| 320 | T | 89.9 | Confident | 87.3 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 27% | 0.27 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136.6 | -178.2 | 64.3 | 0 | 0 | 0 | 0 | 108.6 | F302 K303 V322 D343 | F302-T320 WeakPolarHBondContact CA-O 3.24Å; K303-T320 PolarHBondContact N-O 3.03Å; K303-T320 PolarHBondContact O-N 3.13Å; K303-T320 PolarHBondContact O-OG1 3.46Å; T320-V322 PolarHBondContact O-N 2.67Å; T320-D343 HydrophobicContact CG2-CB 4.49Å; T320-D343 WeakPolarHBondContact CG2-OD2 3.31Å |
| 321 | P | 89.9 | Confident | 87.4 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.032 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 134.7 | 174.6 | 29.1 | -34.2 | 0 | 0 | 0 | 110.2 | F221 R301 F302 I323 L339 | F221-P321 HydrophobicContact CD2-CG 4.42Å; F221-P321 HydrophobicContact CE1-CG 4.38Å; F221-P321 HydrophobicContact CE2-CG 3.89Å; F221-P321 HydrophobicContact CZ-CG 3.86Å; R301-P321 CarbonylContact O-C 3.55Å; R301-P321 WeakPolarHBondContact O-CA 3.26Å; F302-P321 HydrophobicContact CD1-CB 3.95Å; F302-P321 HydrophobicContact CE1-CB 3.75Å; P321-I323 HydrophobicContact CB-CD1 3.9Å; P321-I323 HydrophobicContact CB-CG1 4.09Å; P321-I323 HydrophobicContact CG-CD1 4.06Å; P321-I323 PolarHBondContact O-N 2.86Å; P321-L339 HydrophobicContact CG-CD2 3.5Å |
| 322 | V | 86.9 | Confident | 87.4 | Confident | 65 Ų | 65 | 56 Ų | 56 | 39% | 0.394 | 26% | 0.259 | S | S | . | . | trans | -83 | 98.1 | 178 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | R301 K303 T320 | R301-V322 HydrophobicContact CB-CB 4.28Å; R301-V322 HydrophobicContact CB-CG2 4.35Å; R301-V322 PolarHBondContact O-N 2.91Å; K303-V322 HydrophobicContact CB-CG2 4.01Å; K303-V322 HydrophobicContact CD-CG2 3.84Å; K303-V322 HydrophobicContact CG-CG2 3.58Å; T320-V322 PolarHBondContact O-N 2.67Å | ||
| 323 | I | 84.8 | Confident | 87.1 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 7% | 0.072 | 28% | 0.277 | C | S | . | . | trans | -130.6 | 133.1 | -176.3 | -58.9 | 177.3 | 0 | 0 | 0 | 108.4 | P321 D325 Q328 L329 L334 I349 | P321-I323 HydrophobicContact CB-CD1 3.9Å; P321-I323 HydrophobicContact CB-CG1 4.09Å; P321-I323 HydrophobicContact CG-CD1 4.06Å; P321-I323 PolarHBondContact O-N 2.86Å; I323-D325 WeakPolarHBondContact CG2-O 3.41Å; I323-Q328 HydrophobicContact CG2-CB 3.86Å; I323-L329 HydrophobicContact CD1-CD1 3.47Å; I323-L329 VanDerWaalsContact CD1-CD1 3.47Å; I323-L329 HydrophobicContact CG2-CB 4Å; I323-L329 HydrophobicContact CG2-CD1 4.49Å; I323-L334 HydrophobicContact CD1-CD1 3.85Å; I323-I349 HydrophobicContact CB-CD1 3.95Å; I323-I349 HydrophobicContact CB-CG1 4.22Å; I323-I349 HydrophobicContact CG2-CD1 4.12Å; I323-I349 HydrophobicContact CG2-CG1 4.21Å | ||
| 324 | R | 80.6 | Confident | 86.9 | Confident | 169 Ų | 169 | 55.5 Ų | 55.5 | 64% | 0.638 | 26% | 0.256 | S | S | * | . | trans | -88.3 | -40.9 | -174 | -57.2 | -175.8 | -147.4 | -177.5 | 4.9 | 113.3 | ||||
| 325 | D | 82.3 | Confident | 86.6 | Confident | 37 Ų | 37 | 59.9 Ų | 59.9 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -144.2 | 167.6 | -169 | 59.3 | 22.1 | 0 | 0 | 0 | 110.8 | I323 K327 Q328 L329 N353 | I323-D325 WeakPolarHBondContact CG2-O 3.41Å; D325-K327 PolarHBondContact O-N 3.47Å; D325-K327 PolarHBondContact OD1-N 3.11Å; D325-Q328 PolarHBondContact O-N 3.44Å; D325-Q328 WeakPolarHBondContact OD1-CB 3.47Å; D325-Q328 WeakPolarHBondContact OD1-CG 3.31Å; D325-Q328 PolarHBondContact OD1-N 2.8Å; D325-L329 PolarHBondContact O-N 2.79Å; D325-L329 VanDerWaalsContact O-N 3.13Å; D325-N353 WeakPolarHBondContact CB-OD1 3.35Å |
| 326 | T | 84 | Confident | 86.2 | Confident | 49 Ų | 49 | 63.3 Ų | 63.3 | 30% | 0.301 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.6 | -26.2 | 178 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | L329 Y330 I349 N353 | T326-L329 WeakPolarHBondContact O-CB 3.39Å; T326-L329 PolarHBondContact O-N 3.43Å; T326-Y330 PolarHBondContact O-N 2.94Å; T326-I349 HydrophobicContact CG2-CG2 3.99Å; T326-N353 WeakPolarHBondContact CG2-ND2 3.4Å; T326-N353 PolarHBondContact N-OD1 3.22Å; T326-N353 PolarHBondContact OG1-ND2 2.92Å; T326-N353 PolarHBondContact OG1-OD1 3.25Å; T326-N353 VanDerWaalsContact OG1-OD1 3.12Å |
| 327 | K | 85.2 | Confident | 85.8 | Confident | 136 Ų | 136 | 67.3 Ų | 67.3 | 59% | 0.591 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.9 | -49.2 | 178.3 | -173.1 | -179.4 | 175.3 | -177.6 | 0 | 110.8 | D325 L329 Y330 E331 | D325-K327 PolarHBondContact O-N 3.47Å; D325-K327 PolarHBondContact OD1-N 3.11Å; K327-L329 VanDerWaalsContact C-N 3.32Å; K327-L329 PolarHBondContact O-N 3.01Å; K327-Y330 WeakPolarHBondContact O-CB 3.34Å; K327-Y330 PolarHBondContact O-N 2.69Å; K327-E331 WeakPolarHBondContact CE-OE1 3.47Å; K327-E331 WeakPolarHBondContact O-CG 3.22Å; K327-E331 PolarHBondContact O-N 2.99Å |
| 328 | Q | 82.8 | Confident | 85.3 | Confident | 50 Ų | 50 | 69.3 Ų | 69.3 | 23% | 0.234 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 174.2 | -74.9 | 176.5 | 22.6 | 0 | 0 | 111.8 | I323 D325 Y330 E331 K332 | I323-Q328 HydrophobicContact CG2-CB 3.86Å; D325-Q328 PolarHBondContact O-N 3.44Å; D325-Q328 WeakPolarHBondContact OD1-CB 3.47Å; D325-Q328 WeakPolarHBondContact OD1-CG 3.31Å; D325-Q328 PolarHBondContact OD1-N 2.8Å; Q328-Y330 VanDerWaalsContact C-N 3.28Å; Q328-Y330 PolarHBondContact O-N 3.16Å; Q328-E331 PolarHBondContact O-N 2.9Å; Q328-K332 WeakPolarHBondContact O-CB 3.49Å; Q328-K332 WeakPolarHBondContact O-CG 3.22Å; Q328-K332 PolarHBondContact O-N 2.81Å |
| 329 | L | 86.8 | Confident | 85 | Confident | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.2 | -45.8 | 174.3 | -171.9 | 70.1 | 0 | 0 | 0 | 110.9 | I323 D325 T326 K327 K332 K333 L334 I336 L339 I349 | I323-L329 HydrophobicContact CD1-CD1 3.47Å; I323-L329 VanDerWaalsContact CD1-CD1 3.47Å; I323-L329 HydrophobicContact CG2-CB 4Å; I323-L329 HydrophobicContact CG2-CD1 4.49Å; D325-L329 PolarHBondContact O-N 2.79Å; D325-L329 VanDerWaalsContact O-N 3.13Å; T326-L329 WeakPolarHBondContact O-CB 3.39Å; T326-L329 PolarHBondContact O-N 3.43Å; K327-L329 VanDerWaalsContact C-N 3.32Å; K327-L329 PolarHBondContact O-N 3.01Å; L329-K332 PolarHBondContact O-N 3.21Å; L329-K333 PolarHBondContact O-N 3.37Å; L329-L334 HydrophobicContact CD1-CB 3.54Å; L329-L334 HydrophobicContact CD1-CD1 4.35Å; L329-L334 HydrophobicContact CG-CB 4.14Å; L329-L334 PolarHBondContact O-N 2.73Å; L329-I336 HydrophobicContact CD2-CG1 3.66Å; L329-L339 HydrophobicContact CD1-CD1 4.18Å; L329-L339 HydrophobicContact CD1-CD2 4.17Å; L329-L339 HydrophobicContact CD1-CG 4.39Å; L329-L339 HydrophobicContact CD2-CD1 4.5Å; L329-I349 HydrophobicContact CD1-CD1 4.45Å; L329-I349 HydrophobicContact CD2-CG2 4.43Å |
| 330 | Y | 85.4 | Confident | 84.6 | Confident | 161 Ų | 161 | 67.7 Ų | 67.7 | 63% | 0.631 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.1 | -43.9 | 177.7 | -176.5 | -101.9 | 0 | 0 | 0 | 112.7 | T326 K327 Q328 K332 K333 | T326-Y330 PolarHBondContact O-N 2.94Å; K327-Y330 WeakPolarHBondContact O-CB 3.34Å; K327-Y330 PolarHBondContact O-N 2.69Å; Q328-Y330 VanDerWaalsContact C-N 3.28Å; Q328-Y330 PolarHBondContact O-N 3.16Å; Y330-K332 VanDerWaalsContact C-N 3.27Å; Y330-K332 PolarHBondContact O-N 2.96Å; Y330-K333 WeakPolarHBondContact O-CA 3.49Å; Y330-K333 PolarHBondContact O-N 3.42Å |
| 331 | E | 84.6 | Confident | 84.1 | Confident | 118 Ų | 118 | 69.3 Ų | 69.3 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -58.9 | -38.5 | 176.1 | -73.5 | 170.7 | -175.9 | 0 | 0 | 111.9 | K327 Q328 K333 | K327-E331 WeakPolarHBondContact CE-OE1 3.47Å; K327-E331 WeakPolarHBondContact O-CG 3.22Å; K327-E331 PolarHBondContact O-N 2.99Å; Q328-E331 PolarHBondContact O-N 2.9Å; E331-K333 PolarHBondContact O-N 3.42Å |
| 332 | K | 81.7 | Confident | 83.5 | Confident | 45 Ų | 45 | 76.3 Ų | 76.3 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 4.7 | 174.8 | -62.5 | -73 | 171.6 | 173.3 | 0 | 113.4 | L241 D297 E298 N299 C300 Q328 L329 Y330 L334 | L241-K332 VanDerWaalsContact CD2-O 3.25Å; L241-K332 WeakPolarHBondContact CD2-O 3.09Å; D297-K332 PolarHBondContact O-NZ 2.95Å; E298-K332 PolarHBondContact O-NZ 3.4Å; N299-K332 PolarHBondContact O-NZ 3.38Å; C300-K332 HydrophobicContact CB-CD 4.4Å; Q328-K332 WeakPolarHBondContact O-CB 3.49Å; Q328-K332 WeakPolarHBondContact O-CG 3.22Å; Q328-K332 PolarHBondContact O-N 2.81Å; L329-K332 PolarHBondContact O-N 3.21Å; Y330-K332 VanDerWaalsContact C-N 3.27Å; Y330-K332 PolarHBondContact O-N 2.96Å; K332-L334 HydrophobicContact CB-CD1 4.44Å; K332-L334 PolarHBondContact O-N 3Å |
| 333 | K | 80.6 | Confident | 83 | Confident | 177 Ų | 177 | 75.2 Ų | 75.2 | 77% | 0.77 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 24 | -178.2 | -57.5 | -178.4 | -179.5 | 176.9 | 0 | 114.5 | L329 Y330 E331 | L329-K333 PolarHBondContact O-N 3.37Å; Y330-K333 WeakPolarHBondContact O-CA 3.49Å; Y330-K333 PolarHBondContact O-N 3.42Å; E331-K333 PolarHBondContact O-N 3.42Å |
| 334 | L | 86.4 | Confident | 82.7 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | trans | -93.7 | 162.1 | 173.3 | -68.6 | 171.8 | 0 | 0 | 0 | 109.9 | F221 L241 I323 L329 K332 D338 | F221-L334 HydrophobicContact CZ-CD1 4.42Å; F221-L334 HydrophobicContact CZ-CD2 4.41Å; L241-L334 HydrophobicContact CD1-CD1 4.35Å; L241-L334 HydrophobicContact CD2-CD1 4.15Å; L241-L334 HydrophobicContact CD2-CD2 4.01Å; L241-L334 HydrophobicContact CD2-CG 3.92Å; L241-L334 HydrophobicContact CG-CD2 4.06Å; L241-L334 HydrophobicContact CG-CG 4.45Å; I323-L334 HydrophobicContact CD1-CD1 3.85Å; L329-L334 HydrophobicContact CD1-CB 3.54Å; L329-L334 HydrophobicContact CD1-CD1 4.35Å; L329-L334 HydrophobicContact CG-CB 4.14Å; L329-L334 PolarHBondContact O-N 2.73Å; K332-L334 HydrophobicContact CB-CD1 4.44Å; K332-L334 PolarHBondContact O-N 3Å; L334-D338 HydrophobicContact CD2-CB 4.24Å | ||
| 335 | R | 84.9 | Confident | 82.6 | Confident | 119 Ų | 119 | 69.2 Ų | 69.2 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | trans | -122.7 | 161.2 | 171.3 | -59.5 | -64.5 | 179.2 | -95.3 | 2.7 | 109.1 | S337 D338 | R335-S337 PolarHBondContact O-N 3.5Å; R335-D338 WeakPolarHBondContact CB-OD2 3.3Å; R335-D338 PolarHBondContact N-OD2 2.96Å; R335-D338 WeakPolarHBondContact O-CB 3.37Å; R335-D338 PolarHBondContact O-N 2.92Å | ||
| 336 | I | 84.7 | Confident | 82.6 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -59.4 | -31.9 | 178.2 | -62.5 | 173.2 | 0 | 0 | 0 | 110.9 | L329 D338 L339 R346 | L329-I336 HydrophobicContact CD2-CG1 3.66Å; I336-D338 PolarHBondContact O-N 3.28Å; I336-L339 PolarHBondContact O-N 3.27Å; I336-R346 HydrophobicContact CG2-CG 4.19Å; I336-R346 PolarHBondContact O-NE 2.84Å |
| 337 | S | 83.8 | Confident | 82.4 | Confident | 90 Ų | 90 | 72.6 Ų | 72.6 | 63% | 0.629 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -63.3 | -24.4 | 175.1 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | R335 L339 | R335-S337 PolarHBondContact O-N 3.5Å; S337-L339 VanDerWaalsContact C-N 3.32Å |
| 338 | D | 84.6 | Confident | 82.1 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 23% | 0.225 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -84.6 | -13.8 | -175.6 | -51.4 | -27.9 | 0 | 0 | 0 | 111.9 | F221 L334 R335 I336 | F221-D338 WeakPolarHBondContact CE2-O 3.22Å; L334-D338 HydrophobicContact CD2-CB 4.24Å; R335-D338 WeakPolarHBondContact CB-OD2 3.3Å; R335-D338 PolarHBondContact N-OD2 2.96Å; R335-D338 WeakPolarHBondContact O-CB 3.37Å; R335-D338 PolarHBondContact O-N 2.92Å; I336-D338 PolarHBondContact O-N 3.28Å |
| 339 | L | 84.8 | Confident | 82 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -77.8 | 156 | 175.9 | -57 | 177.5 | 0 | 0 | 0 | 111.1 | F221 P321 L329 I336 S337 T341 R346 I349 | F221-L339 HydrophobicContact CE2-CD2 4.15Å; P321-L339 HydrophobicContact CG-CD2 3.5Å; L329-L339 HydrophobicContact CD1-CD1 4.18Å; L329-L339 HydrophobicContact CD1-CD2 4.17Å; L329-L339 HydrophobicContact CD1-CG 4.39Å; L329-L339 HydrophobicContact CD2-CD1 4.5Å; I336-L339 PolarHBondContact O-N 3.27Å; S337-L339 VanDerWaalsContact C-N 3.32Å; L339-T341 PolarHBondContact O-N 3.32Å; L339-R346 HydrophobicContact CB-CG 4.03Å; L339-R346 HydrophobicContact CD1-CG 4.13Å; L339-R346 PolarHBondContact O-NH2 2.55Å; L339-I349 HydrophobicContact CD1-CD1 3.43Å; L339-I349 VanDerWaalsContact CD1-CD1 3.43Å |
| 340 | N | 82.8 | Confident | 81.6 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 8% | 0.08 | 36% | 0.359 | C | S | . | . | trans | -57 | 142.5 | 175.8 | -57.8 | -44.3 | 0 | 0 | 0 | 109.8 | P220 G319 F342 D343 R346 | P220-N340 WeakPolarHBondContact CD-OD1 3.37Å; P220-N340 WeakPolarHBondContact CG-OD1 3.49Å; G319-N340 PolarHBondContact O-ND2 2.85Å; N340-F342 VanDerWaalsContact C-N 3.33Å; N340-D343 HydrophobicContact CB-CB 4.4Å; N340-D343 VanDerWaalsContact CB-OD2 3.31Å; N340-D343 WeakPolarHBondContact CB-OD2 3.43Å; N340-D343 PolarHBondContact ND2-OD2 2.9Å; N340-R346 PolarHBondContact O-NE 3.19Å | ||
| 341 | T | 78.5 | Confident | 81.2 | Confident | 77 Ų | 77 | 68.3 Ų | 68.3 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -78.5 | -17.1 | 178.7 | 43.4 | 0 | 0 | 0 | 0 | 113.7 | L339 | L339-T341 PolarHBondContact O-N 3.32Š|
| 342 | F | 77.5 | Confident | 80.7 | Confident | 153 Ų | 153 | 63.2 Ų | 63.2 | 67% | 0.671 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -113.8 | -2.1 | -167.2 | -51.7 | -69.9 | 0 | 0 | 0 | 113.9 | M218 N340 | M218-F342 HydrophobicContact CE-CE2 3.46Å; M218-F342 VanDerWaalsContact CE-CE2 3.46Å; M218-F342 HydrophobicContact CE-CZ 3.38Å; N340-F342 VanDerWaalsContact C-N 3.33Å |
| 343 | D | 76 | Confident | 80.4 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 22% | 0.219 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -101.5 | 165.3 | 176.7 | 71.7 | 19.3 | 0 | 0 | 0 | 111.4 | T320 N340 S345 | T320-D343 HydrophobicContact CG2-CB 4.49Å; T320-D343 WeakPolarHBondContact CG2-OD2 3.31Å; N340-D343 HydrophobicContact CB-CB 4.4Å; N340-D343 VanDerWaalsContact CB-OD2 3.31Å; N340-D343 WeakPolarHBondContact CB-OD2 3.43Å; N340-D343 PolarHBondContact ND2-OD2 2.9Å; D343-S345 VanDerWaalsContact CG-OG 3.32Å; D343-S345 PolarHBondContact O-N 2.87Å; D343-S345 WeakPolarHBondContact OD1-CB 3.49Å; D343-S345 PolarHBondContact OD1-N 2.76Å; D343-S345 PolarHBondContact OD1-OG 2.89Å; D343-S345 PolarHBondContact OD2-OG 2.8Å |
| 344 | G | 78.6 | Confident | 80.1 | Confident | 41 Ų | 41 | 61 Ų | 61 | 42% | 0.423 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 5.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R346 D347 V348 | G344-R346 VanDerWaalsContact C-N 3.33Å; G344-R346 PolarHBondContact O-N 2.85Å; G344-D347 PolarHBondContact O-N 3Å; G344-V348 VanDerWaalsContact O-CG2 3.25Å; G344-V348 WeakPolarHBondContact O-CG2 3.37Å; G344-V348 PolarHBondContact O-N 3.48Å |
| 345 | S | 79.2 | Confident | 79.4 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 11% | 0.112 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | -173.2 | 70.9 | 0 | 0 | 0 | 0 | 112.1 | D343 V348 I349 | D343-S345 VanDerWaalsContact CG-OG 3.32Å; D343-S345 PolarHBondContact O-N 2.87Å; D343-S345 WeakPolarHBondContact OD1-CB 3.49Å; D343-S345 PolarHBondContact OD1-N 2.76Å; D343-S345 PolarHBondContact OD1-OG 2.89Å; D343-S345 PolarHBondContact OD2-OG 2.8Å; S345-V348 PolarHBondContact O-N 2.88Å; S345-I349 WeakPolarHBondContact O-CB 3.39Å; S345-I349 WeakPolarHBondContact O-CD1 3.4Å; S345-I349 VanDerWaalsContact O-CG1 3.23Å; S345-I349 WeakPolarHBondContact O-CG1 3.41Å; S345-I349 PolarHBondContact O-N 3.4Å |
| 346 | R | 82.6 | Confident | 78.8 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 176.6 | -64.8 | 179.1 | 178 | -176.1 | -2.6 | 111.2 | I336 L339 N340 G344 I349 I350 | I336-R346 HydrophobicContact CG2-CG 4.19Å; I336-R346 PolarHBondContact O-NE 2.84Å; L339-R346 HydrophobicContact CB-CG 4.03Å; L339-R346 HydrophobicContact CD1-CG 4.13Å; L339-R346 PolarHBondContact O-NH2 2.55Å; N340-R346 PolarHBondContact O-NE 3.19Å; G344-R346 VanDerWaalsContact C-N 3.33Å; G344-R346 PolarHBondContact O-N 2.85Å; R346-I349 PolarHBondContact O-N 3.23Å; R346-I350 WeakPolarHBondContact O-CD1 3.49Å; R346-I350 VanDerWaalsContact O-CG1 3.24Å; R346-I350 WeakPolarHBondContact O-CG1 3.35Å; R346-I350 PolarHBondContact O-N 3.25Å |
| 347 | D | 79.7 | Confident | 78.3 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | -179.7 | -64 | -28.7 | 0 | 0 | 0 | 110.7 | G344 I349 I350 Q351 | G344-D347 PolarHBondContact O-N 3Å; D347-I349 PolarHBondContact O-N 3.3Å; D347-I350 PolarHBondContact O-N 3.11Å; D347-Q351 VanDerWaalsContact O-CB 3.24Å; D347-Q351 WeakPolarHBondContact O-CB 3.24Å; D347-Q351 VanDerWaalsContact O-CG 3.25Å; D347-Q351 WeakPolarHBondContact O-CG 3.45Å; D347-Q351 PolarHBondContact O-N 3.34Å |
| 348 | V | 77.8 | Confident | 78 | Confident | 89 Ų | 89 | 66.3 Ų | 66.3 | 54% | 0.539 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 176.4 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | G344 S345 G352 | G344-V348 VanDerWaalsContact O-CG2 3.25Å; G344-V348 WeakPolarHBondContact O-CG2 3.37Å; G344-V348 PolarHBondContact O-N 3.48Å; S345-V348 PolarHBondContact O-N 2.88Å; V348-G352 WeakPolarHBondContact O-CA 3.47Å; V348-G352 PolarHBondContact O-N 3.24Å |
| 349 | I | 81 | Confident | 77.6 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69 | -37.7 | -179.6 | -69.1 | 163.4 | 0 | 0 | 0 | 111.5 | I323 T326 L329 L339 S345 R346 D347 | I323-I349 HydrophobicContact CB-CD1 3.95Å; I323-I349 HydrophobicContact CB-CG1 4.22Å; I323-I349 HydrophobicContact CG2-CD1 4.12Å; I323-I349 HydrophobicContact CG2-CG1 4.21Å; T326-I349 HydrophobicContact CG2-CG2 3.99Å; L329-I349 HydrophobicContact CD1-CD1 4.45Å; L329-I349 HydrophobicContact CD2-CG2 4.43Å; L339-I349 HydrophobicContact CD1-CD1 3.43Å; L339-I349 VanDerWaalsContact CD1-CD1 3.43Å; S345-I349 WeakPolarHBondContact O-CB 3.39Å; S345-I349 WeakPolarHBondContact O-CD1 3.4Å; S345-I349 VanDerWaalsContact O-CG1 3.23Å; S345-I349 WeakPolarHBondContact O-CG1 3.41Å; S345-I349 PolarHBondContact O-N 3.4Å; R346-I349 PolarHBondContact O-N 3.23Å; D347-I349 PolarHBondContact O-N 3.3Å |
| 350 | I | 79.5 | Confident | 77.2 | Confident | 76 Ų | 76 | 73.5 Ų | 73.5 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.8 | -45.7 | 178.4 | -67 | 167.1 | 0 | 0 | 0 | 110.6 | R346 D347 G352 | R346-I350 WeakPolarHBondContact O-CD1 3.49Å; R346-I350 VanDerWaalsContact O-CG1 3.24Å; R346-I350 WeakPolarHBondContact O-CG1 3.35Å; R346-I350 PolarHBondContact O-N 3.25Å; D347-I350 PolarHBondContact O-N 3.11Å; I350-G352 VanDerWaalsContact C-N 3.32Å; I350-G352 PolarHBondContact O-N 3.46Å |
| 351 | Q | 76.1 | Confident | 77.1 | Confident | 94 Ų | 94 | 79.6 Ų | 79.6 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.5 | -28.5 | 177.5 | -70.1 | 178.4 | 7.2 | 0 | 0 | 112.5 | D347 N353 Q354 Q355 | D347-Q351 VanDerWaalsContact O-CB 3.24Å; D347-Q351 WeakPolarHBondContact O-CB 3.24Å; D347-Q351 VanDerWaalsContact O-CG 3.25Å; D347-Q351 WeakPolarHBondContact O-CG 3.45Å; D347-Q351 PolarHBondContact O-N 3.34Å; Q351-N353 PolarHBondContact O-N 3.1Å; Q351-Q354 WeakPolarHBondContact O-CB 3.44Å; Q351-Q354 PolarHBondContact O-N 3.33Å; Q351-Q355 PolarHBondContact O-N 3.45Å |
| 352 | G | 74.9 | Confident | 77.2 | Confident | 12 Ų | 12 | 81.5 Ų | 81.5 | 12% | 0.124 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -57.1 | -37 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | V348 I350 S356 | V348-G352 WeakPolarHBondContact O-CA 3.47Å; V348-G352 PolarHBondContact O-N 3.24Å; I350-G352 VanDerWaalsContact C-N 3.32Å; I350-G352 PolarHBondContact O-N 3.46Å; G352-S356 WeakPolarHBondContact O-CB 3.36Å; G352-S356 PolarHBondContact O-N 3.37Å; G352-S356 PolarHBondContact O-OG 2.8Å |
| 353 | N | 74.2 | Confident | 77.4 | Confident | 56 Ų | 56 | 80.6 Ų | 80.6 | 30% | 0.299 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 171.4 | -71 | 2.4 | 0 | 0 | 0 | 111 | D325 T326 Q351 S356 D357 | D325-N353 WeakPolarHBondContact CB-OD1 3.35Å; T326-N353 WeakPolarHBondContact CG2-ND2 3.4Å; T326-N353 PolarHBondContact N-OD1 3.22Å; T326-N353 PolarHBondContact OG1-ND2 2.92Å; T326-N353 PolarHBondContact OG1-OD1 3.25Å; T326-N353 VanDerWaalsContact OG1-OD1 3.12Å; Q351-N353 PolarHBondContact O-N 3.1Å; N353-S356 PolarHBondContact O-N 2.89Å; N353-D357 PolarHBondContact O-N 3.02Å |
| 354 | Q | 73.7 | Confident | 77.8 | Confident | 119 Ų | 119 | 83.3 Ų | 83.3 | 56% | 0.556 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.2 | -47.4 | -176.8 | -65.1 | 179.3 | -24.9 | 0 | 0 | 112.1 | Q351 S356 D357 E358 | Q351-Q354 WeakPolarHBondContact O-CB 3.44Å; Q351-Q354 PolarHBondContact O-N 3.33Å; Q354-S356 VanDerWaalsContact C-N 3.31Å; Q354-S356 PolarHBondContact O-N 3.21Å; Q354-D357 PolarHBondContact O-N 3.35Å; Q354-E358 WeakPolarHBondContact O-CG 3.44Å; Q354-E358 PolarHBondContact O-N 2.98Å |
| 355 | Q | 72.4 | Confident | 78.1 | Confident | 119 Ų | 119 | 87 Ų | 87 | 56% | 0.556 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.5 | -36.3 | 179.8 | -68.6 | -175.7 | -12.5 | 0 | 0 | 111.9 | Q351 V359 | Q351-Q355 PolarHBondContact O-N 3.45Å; Q355-V359 WeakPolarHBondContact O-CB 3.37Å; Q355-V359 WeakPolarHBondContact O-CG2 3.33Å; Q355-V359 PolarHBondContact O-N 3.18Å |
| 356 | S | 71.9 | Confident | 78.5 | Confident | 69 Ų | 69 | 92.2 Ų | 92.2 | 48% | 0.483 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.1 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | G352 N353 Q354 M360 | G352-S356 WeakPolarHBondContact O-CB 3.36Å; G352-S356 PolarHBondContact O-N 3.37Å; G352-S356 PolarHBondContact O-OG 2.8Å; N353-S356 PolarHBondContact O-N 2.89Å; Q354-S356 VanDerWaalsContact C-N 3.31Å; Q354-S356 PolarHBondContact O-N 3.21Å; S356-M360 VanDerWaalsContact O-CB 3.3Å; S356-M360 WeakPolarHBondContact O-CB 3.2Å; S356-M360 PolarHBondContact O-N 3.32Å |
| 357 | D | 75.1 | Confident | 78.6 | Confident | 85 Ų | 85 | 96.4 Ų | 96.4 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69 | -40.7 | 179.5 | -70.4 | -14.5 | 0 | 0 | 0 | 112.3 | N353 Q354 M360 K361 | N353-D357 PolarHBondContact O-N 3.02Å; Q354-D357 PolarHBondContact O-N 3.35Å; D357-M360 PolarHBondContact O-N 2.97Å; D357-K361 VanDerWaalsContact O-CG 3.27Å; D357-K361 WeakPolarHBondContact O-CG 3.31Å; D357-K361 PolarHBondContact O-N 3.45Å |
| 358 | E | 77.1 | Confident | 79 | Confident | 123 Ų | 123 | 98.2 Ų | 98.2 | 58% | 0.575 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.8 | -45.9 | 177 | -73.8 | -176.1 | 172 | 0 | 0 | 112.3 | Q354 M360 K361 L362 | Q354-E358 WeakPolarHBondContact O-CG 3.44Å; Q354-E358 PolarHBondContact O-N 2.98Å; E358-M360 VanDerWaalsContact C-N 3.28Å; E358-M360 PolarHBondContact O-N 2.78Å; E358-K361 PolarHBondContact O-N 3.49Å; E358-L362 WeakPolarHBondContact O-CG 3.34Å; E358-L362 PolarHBondContact O-N 3.21Å |
| 359 | V | 76.3 | Confident | 79.4 | Confident | 96 Ų | 96 | 99.4 Ų | 99.4 | 58% | 0.582 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.1 | -39.8 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | Q355 L362 Y363 | Q355-V359 WeakPolarHBondContact O-CB 3.37Å; Q355-V359 WeakPolarHBondContact O-CG2 3.33Å; Q355-V359 PolarHBondContact O-N 3.18Å; V359-L362 PolarHBondContact O-N 3.07Å; V359-Y363 WeakPolarHBondContact O-CB 3.27Å; V359-Y363 PolarHBondContact O-N 2.89Å |
| 360 | M | 76.2 | Confident | 79.7 | Confident | 101 Ų | 101 | 101.8 Ų | 101.8 | 50% | 0.498 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 175.8 | -164 | -161.8 | -57.9 | 0 | 0 | 111.5 | S356 D357 E358 L362 Y363 E364 | S356-M360 VanDerWaalsContact O-CB 3.3Å; S356-M360 WeakPolarHBondContact O-CB 3.2Å; S356-M360 PolarHBondContact O-N 3.32Å; D357-M360 PolarHBondContact O-N 2.97Å; E358-M360 VanDerWaalsContact C-N 3.28Å; E358-M360 PolarHBondContact O-N 2.78Å; M360-L362 VanDerWaalsContact C-N 3.33Å; M360-L362 PolarHBondContact O-N 3.2Å; M360-Y363 WeakPolarHBondContact O-CB 3.28Å; M360-Y363 PolarHBondContact O-N 2.9Å; M360-E364 WeakPolarHBondContact O-CG 3.34Å; M360-E364 PolarHBondContact O-N 3.41Å |
| 361 | K | 80.1 | Confident | 80.1 | Confident | 142 Ų | 142 | 103.5 Ų | 103.5 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59 | -42.1 | 176 | -73.5 | 170.5 | -175.8 | 174 | 0 | 112.3 | D357 E358 E364 K365 | D357-K361 VanDerWaalsContact O-CG 3.27Å; D357-K361 WeakPolarHBondContact O-CG 3.31Å; D357-K361 PolarHBondContact O-N 3.45Å; E358-K361 PolarHBondContact O-N 3.49Å; K361-E364 PolarHBondContact O-N 3.02Å; K361-K365 WeakPolarHBondContact O-CB 3.35Å; K361-K365 PolarHBondContact O-N 2.91Å |
| 362 | L | 81.3 | Confident | 80.7 | Confident | 117 Ų | 117 | 105.3 Ų | 105.3 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.2 | -40.9 | 177.2 | -71.1 | 175.5 | 0 | 0 | 0 | 111.8 | E358 V359 M360 K365 Q366 | E358-L362 WeakPolarHBondContact O-CG 3.34Å; E358-L362 PolarHBondContact O-N 3.21Å; V359-L362 PolarHBondContact O-N 3.07Å; M360-L362 VanDerWaalsContact C-N 3.33Å; M360-L362 PolarHBondContact O-N 3.2Å; L362-K365 PolarHBondContact O-N 2.91Å; L362-Q366 WeakPolarHBondContact O-CB 3.45Å; L362-Q366 PolarHBondContact O-N 3.2Å |
| 363 | Y | 82.1 | Confident | 81.2 | Confident | 134 Ų | 134 | 110.8 Ų | 110.8 | 53% | 0.525 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 175.9 | 178.2 | -99.4 | 0 | 0 | 0 | 111.7 | V359 M360 Q366 R367 | V359-Y363 WeakPolarHBondContact O-CB 3.27Å; V359-Y363 PolarHBondContact O-N 2.89Å; M360-Y363 WeakPolarHBondContact O-CB 3.28Å; M360-Y363 PolarHBondContact O-N 2.9Å; Y363-Q366 PolarHBondContact O-N 2.93Å; Y363-R367 WeakPolarHBondContact O-CB 3.46Å; Y363-R367 PolarHBondContact O-N 2.97Å |
| 364 | E | 84.1 | Confident | 81.8 | Confident | 98 Ų | 98 | 114.2 Ų | 114.2 | 46% | 0.458 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 176.3 | -72 | 178.1 | 170.2 | 0 | 0 | 112.1 | M360 K361 Q366 R367 Q368 | M360-E364 WeakPolarHBondContact O-CG 3.34Å; M360-E364 PolarHBondContact O-N 3.41Å; K361-E364 PolarHBondContact O-N 3.02Å; E364-Q366 VanDerWaalsContact C-N 3.32Å; E364-Q366 PolarHBondContact O-N 3.49Å; E364-R367 WeakPolarHBondContact O-CB 3.41Å; E364-R367 PolarHBondContact O-N 2.93Å; E364-Q368 WeakPolarHBondContact O-CG 3.22Å; E364-Q368 PolarHBondContact O-N 3.19Å |
| 365 | K | 85.7 | Confident | 82.5 | Confident | 120 Ų | 120 | 115.6 Ų | 115.6 | 52% | 0.522 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.1 | -41.5 | 175.7 | -172.6 | 174.9 | -174.2 | 173.1 | 0 | 111.8 | K361 L362 Q368 K369 | K361-K365 WeakPolarHBondContact O-CB 3.35Å; K361-K365 PolarHBondContact O-N 2.91Å; L362-K365 PolarHBondContact O-N 2.91Å; K365-Q368 PolarHBondContact O-N 2.96Å; K365-K369 WeakPolarHBondContact O-CG 3.48Å; K365-K369 PolarHBondContact O-N 3.47Å; K365-K369 VanDerWaalsContact O-N 3.08Å |
| 366 | Q | 86.9 | Confident | 83.1 | Confident | 125 Ų | 125 | 112.9 Ų | 112.9 | 58% | 0.584 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.2 | -40.6 | 176.6 | -172.3 | 63.5 | 5.5 | 0 | 0 | 111.4 | L362 Y363 E364 Q368 K369 A370 | L362-Q366 WeakPolarHBondContact O-CB 3.45Å; L362-Q366 PolarHBondContact O-N 3.2Å; Y363-Q366 PolarHBondContact O-N 2.93Å; E364-Q366 VanDerWaalsContact C-N 3.32Å; E364-Q366 PolarHBondContact O-N 3.49Å; Q366-Q368 VanDerWaalsContact C-N 3.34Å; Q366-Q368 PolarHBondContact O-N 3.14Å; Q366-K369 PolarHBondContact O-N 3.15Å; Q366-A370 PolarHBondContact O-N 3.09Å |
| 367 | R | 84.1 | Confident | 83.8 | Confident | 148 Ų | 148 | 115 Ų | 115 | 56% | 0.558 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 175.4 | -172.2 | 179.7 | -179.5 | -165.5 | 1.2 | 111.9 | Y363 E364 A370 K371 | Y363-R367 WeakPolarHBondContact O-CB 3.46Å; Y363-R367 PolarHBondContact O-N 2.97Å; E364-R367 WeakPolarHBondContact O-CB 3.41Å; E364-R367 PolarHBondContact O-N 2.93Å; R367-A370 PolarHBondContact O-N 3.42Å; R367-K371 WeakPolarHBondContact O-CG 3.32Å; R367-K371 PolarHBondContact O-N 2.76Å; R367-K371 VanDerWaalsContact O-N 3.13Å |
| 368 | Q | 88.7 | Confident | 84.5 | Confident | 135 Ų | 135 | 115.5 Ų | 115.5 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.3 | -46 | 175.6 | -73.4 | 175.9 | -4.9 | 0 | 0 | 112 | E364 K365 Q366 A370 K371 Q372 | E364-Q368 WeakPolarHBondContact O-CG 3.22Å; E364-Q368 PolarHBondContact O-N 3.19Å; K365-Q368 PolarHBondContact O-N 2.96Å; Q366-Q368 VanDerWaalsContact C-N 3.34Å; Q366-Q368 PolarHBondContact O-N 3.14Å; Q368-A370 VanDerWaalsContact C-N 3.32Å; Q368-A370 PolarHBondContact O-N 2.97Å; Q368-K371 PolarHBondContact O-N 3.27Å; Q368-Q372 PolarHBondContact O-N 3.44Å |
| 369 | K | 86.2 | Confident | 85 | Confident | 115 Ų | 115 | 115.4 Ų | 115.4 | 50% | 0.5 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.6 | -41.1 | 176 | -74.4 | -178.8 | 177.4 | -174.8 | 0 | 112.5 | K365 Q366 Q372 M373 | K365-K369 WeakPolarHBondContact O-CG 3.48Å; K365-K369 PolarHBondContact O-N 3.47Å; K365-K369 VanDerWaalsContact O-N 3.08Å; Q366-K369 PolarHBondContact O-N 3.15Å; K369-Q372 PolarHBondContact O-N 3.1Å; K369-M373 WeakPolarHBondContact O-CB 3.31Å; K369-M373 PolarHBondContact O-N 3.28Å |
| 370 | A | 86.4 | Confident | 85.5 | Confident | 54 Ų | 54 | 116.7 Ų | 116.7 | 45% | 0.446 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.6 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q366 R367 Q368 Q372 M373 E374 | Q366-A370 PolarHBondContact O-N 3.09Å; R367-A370 PolarHBondContact O-N 3.42Å; Q368-A370 VanDerWaalsContact C-N 3.32Å; Q368-A370 PolarHBondContact O-N 2.97Å; A370-Q372 VanDerWaalsContact C-N 3.35Å; A370-Q372 PolarHBondContact O-N 2.87Å; A370-M373 WeakPolarHBondContact O-CB 3.46Å; A370-M373 PolarHBondContact O-N 3.02Å; A370-E374 PolarHBondContact O-N 2.8Å; A370-E374 VanDerWaalsContact O-N 3.09Å |
| 371 | K | 88.3 | Confident | 85.9 | Confident | 111 Ų | 111 | 115.6 Ų | 115.6 | 48% | 0.483 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62 | -39.3 | 175.6 | -72.4 | -178.4 | 178.1 | -173.8 | 0 | 112.9 | R367 Q368 E374 K375 | R367-K371 WeakPolarHBondContact O-CG 3.32Å; R367-K371 PolarHBondContact O-N 2.76Å; R367-K371 VanDerWaalsContact O-N 3.13Å; Q368-K371 PolarHBondContact O-N 3.27Å; K371-E374 PolarHBondContact O-N 2.71Å; K371-K375 PolarHBondContact O-N 3.13Å |
| 372 | Q | 88.6 | Confident | 86.1 | Confident | 133 Ų | 133 | 115.9 Ų | 115.9 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67 | -40.6 | 177.6 | -172 | 178.1 | 9.2 | 0 | 0 | 111.5 | Q368 K369 A370 E374 K375 S376 | Q368-Q372 PolarHBondContact O-N 3.44Å; K369-Q372 PolarHBondContact O-N 3.1Å; A370-Q372 VanDerWaalsContact C-N 3.35Å; A370-Q372 PolarHBondContact O-N 2.87Å; Q372-E374 VanDerWaalsContact C-N 3.33Å; Q372-E374 PolarHBondContact O-N 3.1Å; Q372-K375 PolarHBondContact O-N 2.95Å; Q372-S376 PolarHBondContact O-N 2.63Å; Q372-S376 PolarHBondContact O-OG 2.82Å |
| 373 | M | 86.4 | Confident | 86.2 | Confident | 127 Ų | 127 | 115.3 Ų | 115.3 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60 | -43.8 | 176.1 | -174 | 174.5 | -68.9 | 0 | 0 | 111.5 | K369 A370 K375 S376 M377 | K369-M373 WeakPolarHBondContact O-CB 3.31Å; K369-M373 PolarHBondContact O-N 3.28Å; A370-M373 WeakPolarHBondContact O-CB 3.46Å; A370-M373 PolarHBondContact O-N 3.02Å; M373-K375 PolarHBondContact O-N 3.2Å; M373-S376 PolarHBondContact O-N 2.83Å; M373-M377 HydrophobicContact CG-SD 4.42Å; M373-M377 WeakPolarHBondContact O-CG 3.42Å; M373-M377 PolarHBondContact O-N 3.33Å |
| 374 | E | 85.7 | Confident | 86.3 | Confident | 127 Ų | 127 | 114.6 Ų | 114.6 | 59% | 0.593 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.1 | -46.2 | 176.6 | -172.8 | -178.9 | -172.4 | 0 | 0 | 112.3 | A370 K371 Q372 S376 M377 L378 | A370-E374 PolarHBondContact O-N 2.8Å; A370-E374 VanDerWaalsContact O-N 3.09Å; K371-E374 PolarHBondContact O-N 2.71Å; Q372-E374 VanDerWaalsContact C-N 3.33Å; Q372-E374 PolarHBondContact O-N 3.1Å; E374-S376 VanDerWaalsContact C-N 3.35Å; E374-S376 PolarHBondContact O-N 3.18Å; E374-M377 PolarHBondContact O-N 3.15Å; E374-L378 PolarHBondContact O-N 3.25Å; E374-L378 VanDerWaalsContact O-N 3.1Å |
| 375 | K | 88.1 | Confident | 86.3 | Confident | 149 Ų | 149 | 115.4 Ų | 115.4 | 65% | 0.648 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.7 | -44 | 175.8 | -70.8 | -176.1 | 178.9 | -175.3 | 0 | 112.1 | K371 Q372 M373 M377 L378 Q379 | K371-K375 PolarHBondContact O-N 3.13Å; Q372-K375 PolarHBondContact O-N 2.95Å; M373-K375 PolarHBondContact O-N 3.2Å; K375-M377 VanDerWaalsContact C-N 3.35Å; K375-L378 PolarHBondContact O-N 2.98Å; K375-Q379 WeakPolarHBondContact O-CG 3.46Å; K375-Q379 PolarHBondContact O-N 2.58Å; K375-Q379 VanDerWaalsContact O-N 3.1Å |
| 376 | S | 85.3 | Confident | 86 | Confident | 62 Ų | 62 | 114.5 Ų | 114.5 | 43% | 0.434 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 177.9 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | Q372 M373 E374 Q379 L380 | Q372-S376 PolarHBondContact O-N 2.63Å; Q372-S376 PolarHBondContact O-OG 2.82Å; M373-S376 PolarHBondContact O-N 2.83Å; E374-S376 VanDerWaalsContact C-N 3.35Å; E374-S376 PolarHBondContact O-N 3.18Å; S376-Q379 PolarHBondContact O-N 3.38Å; S376-L380 WeakPolarHBondContact O-CB 3.38Å; S376-L380 PolarHBondContact O-N 3.45Å |
| 377 | M | 88 | Confident | 85.8 | Confident | 114 Ų | 114 | 112.3 Ų | 112.3 | 56% | 0.562 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 175.7 | -74.2 | 179.5 | 67.4 | 0 | 0 | 111.8 | M373 E374 K375 Q379 L380 E381 | M373-M377 HydrophobicContact CG-SD 4.42Å; M373-M377 WeakPolarHBondContact O-CG 3.42Å; M373-M377 PolarHBondContact O-N 3.33Å; E374-M377 PolarHBondContact O-N 3.15Å; K375-M377 VanDerWaalsContact C-N 3.35Å; M377-Q379 VanDerWaalsContact C-N 3.32Å; M377-Q379 PolarHBondContact O-N 3.47Å; M377-L380 PolarHBondContact O-N 2.98Å; M377-E381 PolarHBondContact O-N 3.35Å |
| 378 | L | 89.4 | Confident | 85.6 | Confident | 94 Ų | 94 | 106.7 Ų | 106.7 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 177.2 | -71 | 171.7 | 0 | 0 | 0 | 112.5 | E374 K375 K382 | E374-L378 PolarHBondContact O-N 3.25Å; E374-L378 VanDerWaalsContact O-N 3.1Å; K375-L378 PolarHBondContact O-N 2.98Å; L378-K382 WeakPolarHBondContact O-CG 3.37Å; L378-K382 PolarHBondContact O-N 2.87Å; L378-K382 VanDerWaalsContact O-N 3.17Å |
| 379 | Q | 86.2 | Confident | 85.3 | Confident | 122 Ų | 122 | 104.6 Ų | 104.6 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.7 | -42.9 | 174.8 | -73.3 | 177.8 | -18.1 | 0 | 0 | 111.7 | K375 S376 M377 E381 K382 I383 | K375-Q379 WeakPolarHBondContact O-CG 3.46Å; K375-Q379 PolarHBondContact O-N 2.58Å; K375-Q379 VanDerWaalsContact O-N 3.1Å; S376-Q379 PolarHBondContact O-N 3.38Å; M377-Q379 VanDerWaalsContact C-N 3.32Å; M377-Q379 PolarHBondContact O-N 3.47Å; Q379-E381 VanDerWaalsContact C-N 3.3Å; Q379-E381 PolarHBondContact O-N 2.86Å; Q379-K382 PolarHBondContact O-N 3.22Å; Q379-I383 VanDerWaalsContact O-CG1 3.32Å; Q379-I383 WeakPolarHBondContact O-CG1 3.44Å; Q379-I383 PolarHBondContact O-N 3.17Å |
| 380 | L | 87.1 | Confident | 85 | Confident | 122 Ų | 122 | 104 Ų | 104 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.2 | -40.8 | 177.7 | -173.3 | 66.6 | 0 | 0 | 0 | 111.3 | S376 M377 I383 R384 | S376-L380 WeakPolarHBondContact O-CB 3.38Å; S376-L380 PolarHBondContact O-N 3.45Å; M377-L380 PolarHBondContact O-N 2.98Å; L380-I383 PolarHBondContact O-N 3.27Å; L380-R384 VanDerWaalsContact O-CB 3.31Å; L380-R384 WeakPolarHBondContact O-CB 3.39Å; L380-R384 PolarHBondContact O-N 3.48Å |
| 381 | E | 85.4 | Confident | 84.8 | Confident | 78 Ų | 78 | 104.2 Ų | 104.2 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 177.2 | -162.5 | -169.8 | 150.4 | 0 | 0 | 112.2 | M377 Q379 R384 K385 | M377-E381 PolarHBondContact O-N 3.35Å; Q379-E381 VanDerWaalsContact C-N 3.3Å; Q379-E381 PolarHBondContact O-N 2.86Å; E381-R384 PolarHBondContact O-N 3.46Å; E381-K385 PolarHBondContact O-N 3.45Å; E381-K385 WeakPolarHBondContact OE1-CE 3.44Å; E381-K385 IonicContact OE1-NZ 3.65Å; E381-K385 PolarHBondContact OE1-NZ 3.13Å |
| 382 | K | 84.4 | Confident | 84.4 | Confident | 148 Ų | 148 | 102.6 Ų | 102.6 | 64% | 0.643 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.9 | -45.7 | 174.8 | -73.1 | 176.9 | -178.5 | -177.4 | 0 | 111.8 | L378 Q379 R384 K385 V386 | L378-K382 WeakPolarHBondContact O-CG 3.37Å; L378-K382 PolarHBondContact O-N 2.87Å; L378-K382 VanDerWaalsContact O-N 3.17Å; Q379-K382 PolarHBondContact O-N 3.22Å; K382-R384 VanDerWaalsContact C-N 3.32Å; K382-R384 PolarHBondContact O-N 2.79Å; K382-K385 PolarHBondContact O-N 3.47Å; K382-V386 WeakPolarHBondContact O-CG2 3.41Å; K382-V386 PolarHBondContact O-N 2.71Å; K382-V386 VanDerWaalsContact O-N 3.14Å |
| 383 | I | 84.3 | Confident | 83.9 | Confident | 106 Ų | 106 | 103.6 Ų | 103.6 | 54% | 0.544 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 178.2 | -67.2 | 166.2 | 0 | 0 | 0 | 110.3 | Q379 L380 V386 T387 | Q379-I383 VanDerWaalsContact O-CG1 3.32Å; Q379-I383 WeakPolarHBondContact O-CG1 3.44Å; Q379-I383 PolarHBondContact O-N 3.17Å; L380-I383 PolarHBondContact O-N 3.27Å; I383-V386 PolarHBondContact O-N 2.95Å; I383-T387 WeakPolarHBondContact O-CB 3.45Å; I383-T387 PolarHBondContact O-N 3.5Å; I383-T387 PolarHBondContact O-OG1 2.93Å |
| 384 | R | 83.8 | Confident | 83.5 | Confident | 118 Ų | 118 | 101.1 Ų | 101.1 | 45% | 0.445 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -46.3 | 176.8 | -174.3 | 175.1 | 175.7 | -167.3 | -4.8 | 111.5 | L380 E381 K382 T387 D388 D649 | L380-R384 VanDerWaalsContact O-CB 3.31Å; L380-R384 WeakPolarHBondContact O-CB 3.39Å; L380-R384 PolarHBondContact O-N 3.48Å; E381-R384 PolarHBondContact O-N 3.46Å; K382-R384 VanDerWaalsContact C-N 3.32Å; K382-R384 PolarHBondContact O-N 2.79Å; R384-T387 PolarHBondContact O-N 2.88Å; R384-D388 WeakPolarHBondContact O-CB 3.44Å; R384-D388 VanDerWaalsContact O-CG 3.31Å; R384-D388 PolarHBondContact O-N 3.3Å; R384-D649 IonicContact NH1-OD2 2.73Å; R384-D649 IonicContact NH2-OD2 2.57Å |
| 385 | K | 82.5 | Confident | 83.4 | Confident | 116 Ų | 116 | 95.2 Ų | 95.2 | 50% | 0.504 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.2 | -50 | 177.2 | -73.8 | 174.7 | -178 | 163.2 | 0 | 112.4 | E381 K382 T387 D388 D389 | E381-K385 PolarHBondContact O-N 3.45Å; E381-K385 WeakPolarHBondContact OE1-CE 3.44Å; E381-K385 IonicContact OE1-NZ 3.65Å; E381-K385 PolarHBondContact OE1-NZ 3.13Å; K382-K385 PolarHBondContact O-N 3.47Å; K385-T387 PolarHBondContact O-N 3.19Å; K385-D388 PolarHBondContact O-N 3.2Å; K385-D388 VanDerWaalsContact O-N 3.16Å; K385-D389 VanDerWaalsContact O-CG 3.3Å; K385-D389 PolarHBondContact O-N 3.4Å |
| 386 | V | 81.3 | Confident | 83.1 | Confident | 100 Ų | 100 | 88.5 Ų | 88.5 | 61% | 0.606 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.8 | -36.8 | 177.8 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | K382 I383 L390 | K382-V386 WeakPolarHBondContact O-CG2 3.41Å; K382-V386 PolarHBondContact O-N 2.71Å; K382-V386 VanDerWaalsContact O-N 3.14Å; I383-V386 PolarHBondContact O-N 2.95Å; V386-L390 WeakPolarHBondContact O-CB 3.24Å; V386-L390 PolarHBondContact O-N 3.05Å; V386-L390 VanDerWaalsContact O-N 3.11Å |
| 387 | T | 81.7 | Confident | 82.9 | Confident | 79 Ų | 79 | 88.2 Ų | 88.2 | 49% | 0.485 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.8 | -41.1 | 177.5 | -54 | 0 | 0 | 0 | 0 | 111.6 | I383 R384 K385 L390 L391 | I383-T387 WeakPolarHBondContact O-CB 3.45Å; I383-T387 PolarHBondContact O-N 3.5Å; I383-T387 PolarHBondContact O-OG1 2.93Å; R384-T387 PolarHBondContact O-N 2.88Å; K385-T387 PolarHBondContact O-N 3.19Å; T387-L390 PolarHBondContact O-N 3.41Å; T387-L391 WeakPolarHBondContact O-CB 3.34Å; T387-L391 PolarHBondContact O-N 2.88Å |
| 388 | D | 80.9 | Confident | 82.6 | Confident | 30 Ų | 30 | 84.5 Ų | 84.5 | 16% | 0.16 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 177.7 | -73.6 | -15.4 | 0 | 0 | 0 | 110.4 | R384 K385 L390 L391 Y392 R404 | R384-D388 WeakPolarHBondContact O-CB 3.44Å; R384-D388 VanDerWaalsContact O-CG 3.31Å; R384-D388 PolarHBondContact O-N 3.3Å; K385-D388 PolarHBondContact O-N 3.2Å; K385-D388 VanDerWaalsContact O-N 3.16Å; D388-L390 PolarHBondContact O-N 3.08Å; D388-L391 WeakPolarHBondContact O-CB 3.4Å; D388-L391 PolarHBondContact O-N 3.47Å; D388-Y392 HydrophobicContact CB-CE2 4.14Å; D388-Y392 WeakPolarHBondContact O-CD2 3.3Å; D388-Y392 VanDerWaalsContact O-CG 3.28Å; D388-Y392 PolarHBondContact O-N 2.97Å; D388-R404 VanDerWaalsContact CG-NH2 3.33Å; D388-R404 IonicContact OD1-CZ 2.67Å; D388-R404 IonicContact OD1-NH2 2.68Å; D388-R404 PolarHBondContact OD1-NH2 2.84Å; D388-R404 VanDerWaalsContact OD1-NH2 3.13Å; D388-R404 IonicContact OD2-CZ 3.99Å; D388-R404 IonicContact OD2-NH1 3Å; D388-R404 IonicContact OD2-NH2 3.92Å; D388-R404 PolarHBondContact OD2-NH2 3.24Å |
| 389 | D | 81.7 | Confident | 82.2 | Confident | 92 Ų | 92 | 80.3 Ų | 80.3 | 49% | 0.492 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 176.7 | -67.4 | -20 | 0 | 0 | 0 | 111.7 | K385 L391 Y392 Q393 | K385-D389 VanDerWaalsContact O-CG 3.3Å; K385-D389 PolarHBondContact O-N 3.4Å; D389-L391 VanDerWaalsContact C-N 3.29Å; D389-L391 PolarHBondContact O-N 3.01Å; D389-Y392 PolarHBondContact O-N 3.47Å; D389-Q393 VanDerWaalsContact O-CG 3.27Å; D389-Q393 WeakPolarHBondContact O-CG 3.28Å; D389-Q393 PolarHBondContact O-N 3.35Å |
| 390 | L | 80.3 | Confident | 82 | Confident | 103 Ų | 103 | 74.5 Ų | 74.5 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 177.2 | -175 | 66.5 | 0 | 0 | 0 | 111.9 | V386 T387 D388 C394 | V386-L390 WeakPolarHBondContact O-CB 3.24Å; V386-L390 PolarHBondContact O-N 3.05Å; V386-L390 VanDerWaalsContact O-N 3.11Å; T387-L390 PolarHBondContact O-N 3.41Å; D388-L390 PolarHBondContact O-N 3.08Å; L390-C394 PolarHBondContact O-N 2.96Å; L390-C394 PolarHBondContact O-SG 2.92Å |
| 391 | L | 81 | Confident | 81.7 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 30% | 0.298 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.7 | -45.3 | 176.5 | 179.7 | 63.7 | 0 | 0 | 0 | 111.4 | T387 D388 D389 Q393 C394 I395 A400 | T387-L391 WeakPolarHBondContact O-CB 3.34Å; T387-L391 PolarHBondContact O-N 2.88Å; D388-L391 WeakPolarHBondContact O-CB 3.4Å; D388-L391 PolarHBondContact O-N 3.47Å; D389-L391 VanDerWaalsContact C-N 3.29Å; D389-L391 PolarHBondContact O-N 3.01Å; L391-Q393 VanDerWaalsContact C-N 3.27Å; L391-Q393 PolarHBondContact O-N 3.36Å; L391-C394 PolarHBondContact O-N 2.95Å; L391-I395 HydrophobicContact CD1-CD1 4.23Å; L391-I395 PolarHBondContact O-N 3.44Å; L391-A400 HydrophobicContact CD2-CB 4.07Å; L391-A400 HydrophobicContact CG-CB 4Å |
| 392 | Y | 80.8 | Confident | 81.5 | Confident | 78 Ų | 78 | 72.7 Ų | 72.7 | 31% | 0.306 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.3 | -25 | 178.7 | -61.7 | -33.6 | 0 | 0 | 0 | 113.3 | D388 D389 C394 I395 A400 | D388-Y392 HydrophobicContact CB-CE2 4.14Å; D388-Y392 WeakPolarHBondContact O-CD2 3.3Å; D388-Y392 VanDerWaalsContact O-CG 3.28Å; D388-Y392 PolarHBondContact O-N 2.97Å; D389-Y392 PolarHBondContact O-N 3.47Å; Y392-C394 VanDerWaalsContact C-N 3.3Å; Y392-I395 CarbonylContact C-O 3.59Å; Y392-I395 WeakPolarHBondContact CA-O 3.36Å; Y392-I395 VanDerWaalsContact O-O 3.05Å; Y392-A400 HydrophobicContact CD1-CB 3.67Å; Y392-A400 HydrophobicContact CE1-CB 3.74Å |
| 393 | Q | 78.3 | Confident | 81.3 | Confident | 153 Ų | 153 | 68.5 Ų | 68.5 | 72% | 0.715 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70.2 | -25.7 | 169.7 | -73.3 | 171.3 | 7.3 | 0 | 0 | 113 | D389 L391 | D389-Q393 VanDerWaalsContact O-CG 3.27Å; D389-Q393 WeakPolarHBondContact O-CG 3.28Å; D389-Q393 PolarHBondContact O-N 3.35Å; L391-Q393 VanDerWaalsContact C-N 3.27Å; L391-Q393 PolarHBondContact O-N 3.36Å |
| 394 | C | 77.4 | Confident | 81 | Confident | 76 Ų | 76 | 67.9 Ų | 67.9 | 51% | 0.514 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -93.5 | -31.3 | -178.1 | -64.8 | 0 | 0 | 0 | 0 | 113.7 | L390 L391 Y392 | L390-C394 PolarHBondContact O-N 2.96Å; L390-C394 PolarHBondContact O-SG 2.92Å; L391-C394 PolarHBondContact O-N 2.95Å; Y392-C394 VanDerWaalsContact C-N 3.3Å |
| 395 | I | 82.8 | Confident | 80.8 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -140.8 | 143.5 | -171.7 | -57.5 | 176.7 | 0 | 0 | 0 | 107.9 | L391 Y392 S397 V399 A400 I403 V542 P548 | L391-I395 HydrophobicContact CD1-CD1 4.23Å; L391-I395 PolarHBondContact O-N 3.44Å; Y392-I395 CarbonylContact C-O 3.59Å; Y392-I395 WeakPolarHBondContact CA-O 3.36Å; Y392-I395 VanDerWaalsContact O-O 3.05Å; I395-S397 PolarHBondContact O-N 2.94Å; I395-V399 HydrophobicContact CG2-CB 4Å; I395-V399 HydrophobicContact CG2-CG1 4.04Å; I395-A400 HydrophobicContact CB-CB 4.42Å; I395-A400 HydrophobicContact CG2-CB 4.34Å; I395-I403 HydrophobicContact CD1-CD1 4.47Å; I395-V542 HydrophobicContact CD1-CG1 4.42Å; I395-V542 HydrophobicContact CG2-CG2 4.07Å; I395-P548 HydrophobicContact CD1-CB 3.79Å; I395-P548 HydrophobicContact CD1-CG 3.86Å |
| 396 | P | 82.7 | Confident | 80.5 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | trans | -58.9 | 140.2 | 178.6 | -7.9 | 16.4 | 0 | 0 | 0 | 111.9 | T398 V399 A400 Y462 P478 Y550 | P396-T398 VanDerWaalsContact C-N 3.28Å; P396-T398 PolarHBondContact O-N 3.24Å; P396-T398 VanDerWaalsContact O-N 3.16Å; P396-V399 HydrophobicContact CG-CG2 4.46Å; P396-V399 PolarHBondContact O-N 3.1Å; P396-A400 PolarHBondContact O-N 3.39Å; P396-Y462 HydrophobicContact CB-CD2 4.37Å; P396-Y462 HydrophobicContact CB-CE2 3.88Å; P396-Y462 VanDerWaalsContact CD-OH 3.25Å; P396-Y462 WeakPolarHBondContact CD-OH 3.47Å; P396-Y462 HydrophobicContact CG-CD2 4.17Å; P396-Y462 HydrophobicContact CG-CE1 4.06Å; P396-Y462 HydrophobicContact CG-CE2 3.51Å; P396-Y462 VanDerWaalsContact CG-CZ 3.48Å; P396-P478 HydrophobicContact CB-CB 4.39Å; P396-P478 HydrophobicContact CB-CG 3.61Å; P396-P478 HydrophobicContact CG-CB 4.39Å; P396-P478 HydrophobicContact CG-CG 3.86Å; P396-Y550 HydrophobicContact CG-CD1 4.03Å; P396-Y550 HydrophobicContact CG-CD2 4.17Å; P396-Y550 HydrophobicContact CG-CE1 4.28Å; P396-Y550 HydrophobicContact CG-CE2 4.44Å; P396-Y550 HydrophobicContact CG-CG 3.94Å | ||
| 397 | S | 82.1 | Confident | 80.3 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -52.5 | -41 | -173.1 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | I395 V399 A400 R401 | I395-S397 PolarHBondContact O-N 2.94Å; S397-V399 VanDerWaalsContact C-N 3.29Å; S397-V399 PolarHBondContact O-N 3.03Å; S397-A400 PolarHBondContact O-N 3.21Å; S397-R401 WeakPolarHBondContact O-CB 3.5Å; S397-R401 PolarHBondContact O-N 3.25Å |
| 398 | T | 80.1 | Confident | 80 | Confident | 36 Ų | 36 | 63 Ų | 63 | 22% | 0.221 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.6 | -36.2 | 178.3 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | P396 H479 | P396-T398 VanDerWaalsContact C-N 3.28Å; P396-T398 PolarHBondContact O-N 3.24Å; P396-T398 VanDerWaalsContact O-N 3.16Å; T398-H479 WeakPolarHBondContact CG2-CE1 3.35Å |
| 399 | V | 81.2 | Confident | 79.6 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.03 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -84.3 | -41.3 | -179.9 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | I395 P396 S397 R401 K402 I403 T412 V542 Y550 | I395-V399 HydrophobicContact CG2-CB 4Å; I395-V399 HydrophobicContact CG2-CG1 4.04Å; P396-V399 HydrophobicContact CG-CG2 4.46Å; P396-V399 PolarHBondContact O-N 3.1Å; S397-V399 VanDerWaalsContact C-N 3.29Å; S397-V399 PolarHBondContact O-N 3.03Å; V399-R401 VanDerWaalsContact C-N 3.31Å; V399-R401 PolarHBondContact O-N 3.32Å; V399-K402 WeakPolarHBondContact O-CB 3.49Å; V399-K402 PolarHBondContact O-N 2.94Å; V399-I403 HydrophobicContact CG1-CD1 4.31Å; V399-I403 WeakPolarHBondContact O-CG1 3.22Å; V399-I403 PolarHBondContact O-N 3.19Å; V399-I403 VanDerWaalsContact O-N 3.1Å; V399-T412 HydrophobicContact CG1-CG2 4.04Å; V399-V542 HydrophobicContact CG1-CG2 3.39Å; V399-Y550 HydrophobicContact CG2-CD2 4.38Å; V399-Y550 HydrophobicContact CG2-CE2 4Å |
| 400 | A | 81.9 | Confident | 79.3 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.7 | -43 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L391 Y392 I395 P396 S397 K402 I403 R404 | L391-A400 HydrophobicContact CD2-CB 4.07Å; L391-A400 HydrophobicContact CG-CB 4Å; Y392-A400 HydrophobicContact CD1-CB 3.67Å; Y392-A400 HydrophobicContact CE1-CB 3.74Å; I395-A400 HydrophobicContact CB-CB 4.42Å; I395-A400 HydrophobicContact CG2-CB 4.34Å; P396-A400 PolarHBondContact O-N 3.39Å; S397-A400 PolarHBondContact O-N 3.21Å; A400-K402 PolarHBondContact O-N 3.25Å; A400-I403 PolarHBondContact O-N 3.32Å; A400-R404 WeakPolarHBondContact O-CB 3.33Å; A400-R404 PolarHBondContact O-N 3.35Å |
| 401 | R | 81 | Confident | 79.1 | Confident | 83 Ų | 83 | 65.5 Ų | 65.5 | 31% | 0.313 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.8 | -171.4 | 172.9 | 67.6 | -165.2 | 0.7 | 112.9 | S397 V399 R404 N405 | S397-R401 WeakPolarHBondContact O-CB 3.5Å; S397-R401 PolarHBondContact O-N 3.25Å; V399-R401 VanDerWaalsContact C-N 3.31Å; V399-R401 PolarHBondContact O-N 3.32Å; R401-R404 WeakPolarHBondContact O-CB 3.47Å; R401-R404 PolarHBondContact O-N 3.02Å; R401-N405 VanDerWaalsContact O-CG 3.31Å; R401-N405 PolarHBondContact O-N 3.27Å; R401-N405 PolarHBondContact O-OD1 3.01Å |
| 402 | K | 80.5 | Confident | 78.9 | Confident | 78 Ų | 78 | 62.9 Ų | 62.9 | 34% | 0.339 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 174.3 | -76.4 | -179.6 | 179.6 | -177 | 0 | 110.9 | V399 A400 R404 N405 T407 T412 | V399-K402 WeakPolarHBondContact O-CB 3.49Å; V399-K402 PolarHBondContact O-N 2.94Å; A400-K402 PolarHBondContact O-N 3.25Å; K402-R404 VanDerWaalsContact C-N 3.32Å; K402-R404 PolarHBondContact O-N 3.44Å; K402-N405 PolarHBondContact O-N 3.44Å; K402-T407 WeakPolarHBondContact CB-OG1 3.34Å; K402-T407 PolarHBondContact O-N 3.39Å; K402-T407 PolarHBondContact O-OG1 2.96Å; K402-T412 HydrophobicContact CB-CG2 4.16Å; K402-T412 HydrophobicContact CD-CG2 4.47Å |
| 403 | I | 80.1 | Confident | 79.1 | Confident | 61 Ų | 61 | 63 Ų | 63 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 178 | -65.2 | 171.5 | 0 | 0 | 0 | 110.7 | I395 V399 A400 N405 G406 T412 V542 | I395-I403 HydrophobicContact CD1-CD1 4.47Å; V399-I403 HydrophobicContact CG1-CD1 4.31Å; V399-I403 WeakPolarHBondContact O-CG1 3.22Å; V399-I403 PolarHBondContact O-N 3.19Å; V399-I403 VanDerWaalsContact O-N 3.1Å; A400-I403 PolarHBondContact O-N 3.32Å; I403-N405 VanDerWaalsContact C-N 3.31Å; I403-N405 PolarHBondContact O-N 3.41Å; I403-G406 PolarHBondContact O-N 2.98Å; I403-T412 HydrophobicContact CG1-CG2 4.07Å; I403-V542 HydrophobicContact CD1-CB 4.18Å; I403-V542 HydrophobicContact CD1-CG1 4.12Å; I403-V542 HydrophobicContact CD1-CG2 3.91Å |
| 404 | R | 78.1 | Confident | 79.4 | Confident | 93 Ų | 93 | 58.9 Ų | 58.9 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 175.7 | -169.4 | -169.3 | -164.6 | -179.2 | 24.3 | 112.6 | D388 A400 R401 K402 G406 | D388-R404 VanDerWaalsContact CG-NH2 3.33Å; D388-R404 IonicContact OD1-CZ 2.67Å; D388-R404 IonicContact OD1-NH2 2.68Å; D388-R404 PolarHBondContact OD1-NH2 2.84Å; D388-R404 VanDerWaalsContact OD1-NH2 3.13Å; D388-R404 IonicContact OD2-CZ 3.99Å; D388-R404 IonicContact OD2-NH1 3Å; D388-R404 IonicContact OD2-NH2 3.92Å; D388-R404 PolarHBondContact OD2-NH2 3.24Å; A400-R404 WeakPolarHBondContact O-CB 3.33Å; A400-R404 PolarHBondContact O-N 3.35Å; R401-R404 WeakPolarHBondContact O-CB 3.47Å; R401-R404 PolarHBondContact O-N 3.02Å; K402-R404 VanDerWaalsContact C-N 3.32Å; K402-R404 PolarHBondContact O-N 3.44Å; R404-G406 PolarHBondContact O-N 3.22Å; R404-G406 VanDerWaalsContact O-N 3.09Å |
| 405 | N | 80 | Confident | 79.9 | Confident | 122 Ų | 122 | 57.2 Ų | 57.2 | 65% | 0.652 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 9 | 177.8 | -67 | -2.1 | 0 | 0 | 0 | 113.2 | R401 K402 I403 T407 | R401-N405 VanDerWaalsContact O-CG 3.31Å; R401-N405 PolarHBondContact O-N 3.27Å; R401-N405 PolarHBondContact O-OD1 3.01Å; K402-N405 PolarHBondContact O-N 3.44Å; I403-N405 VanDerWaalsContact C-N 3.31Å; I403-N405 PolarHBondContact O-N 3.41Å; N405-T407 PolarHBondContact O-N 2.9Å |
| 406 | G | 77.7 | Confident | 80.2 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 10.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I403 R404 | I403-G406 PolarHBondContact O-N 2.98Å; R404-G406 PolarHBondContact O-N 3.22Å; R404-G406 VanDerWaalsContact O-N 3.09Å |
| 407 | T | 76.1 | Confident | 80.4 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | trans | -68.3 | 135 | 173.6 | 55.8 | 0 | 0 | 0 | 0 | 110.4 | K402 N405 | K402-T407 WeakPolarHBondContact CB-OG1 3.34Å; K402-T407 PolarHBondContact O-N 3.39Å; K402-T407 PolarHBondContact O-OG1 2.96Å; N405-T407 PolarHBondContact O-N 2.9Å | ||
| 408 | P | 75.9 | Confident | 80.7 | Confident | 72 Ų | 72 | 64.8 Ų | 64.8 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | trans | -66 | 147.3 | 179.4 | 28.7 | -34.2 | 0 | 0 | 0 | 110 | I410 D411 | P408-I410 HydrophobicContact CB-CG2 4.27Å; P408-I410 HydrophobicContact CG-CG2 4.23Å; P408-I410 PolarHBondContact O-N 3.07Å; P408-D411 WeakPolarHBondContact CD-OD2 3.28Å; P408-D411 HydrophobicContact CG-CB 4.37Å; P408-D411 WeakPolarHBondContact CG-OD2 3.48Å; P408-D411 PolarHBondContact O-N 3.12Å | ||
| 409 | A | 71.9 | Confident | 81.3 | Confident | 52 Ų | 52 | 63.1 Ų | 63.1 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -55.2 | -28.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | D411 T412 | A409-D411 VanDerWaalsContact C-N 3.28Å; A409-D411 PolarHBondContact O-N 3.26Å; A409-T412 PolarHBondContact O-N 3.25Å; A409-T412 PolarHBondContact O-OG1 3.16Å |
| 410 | I | 75.6 | Confident | 81.9 | Confident | 122 Ų | 122 | 62.9 Ų | 62.9 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -64.4 | -31 | 178.2 | -162 | 160.5 | 0 | 0 | 0 | 113.2 | P408 T412 I413 | P408-I410 HydrophobicContact CB-CG2 4.27Å; P408-I410 HydrophobicContact CG-CG2 4.23Å; P408-I410 PolarHBondContact O-N 3.07Å; I410-T412 PolarHBondContact O-N 3.28Å; I410-I413 HydrophobicContact CG1-CD1 4.11Å; I410-I413 WeakPolarHBondContact O-CB 3.31Å; I410-I413 WeakPolarHBondContact O-CG1 3.22Å; I410-I413 PolarHBondContact O-N 3.14Å |
| 411 | D | 77.1 | Confident | 82.5 | Confident | 104 Ų | 104 | 62.8 Ų | 62.8 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -80.7 | -8.6 | -179.9 | -65.6 | -16.2 | 0 | 0 | 0 | 112.3 | P408 A409 I413 | P408-D411 WeakPolarHBondContact CD-OD2 3.28Å; P408-D411 HydrophobicContact CG-CB 4.37Å; P408-D411 WeakPolarHBondContact CG-OD2 3.48Å; P408-D411 PolarHBondContact O-N 3.12Å; A409-D411 VanDerWaalsContact C-N 3.28Å; A409-D411 PolarHBondContact O-N 3.26Å; D411-I413 VanDerWaalsContact C-N 3.29Å |
| 412 | T | 76.6 | Confident | 83 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -82 | -7.6 | 172.9 | 64.9 | 0 | 0 | 0 | 0 | 113.4 | V399 K402 I403 A409 I410 Q414 | V399-T412 HydrophobicContact CG1-CG2 4.04Å; K402-T412 HydrophobicContact CB-CG2 4.16Å; K402-T412 HydrophobicContact CD-CG2 4.47Å; I403-T412 HydrophobicContact CG1-CG2 4.07Å; A409-T412 PolarHBondContact O-N 3.25Å; A409-T412 PolarHBondContact O-OG1 3.16Å; I410-T412 PolarHBondContact O-N 3.28Å; T412-Q414 PolarHBondContact O-N 3.41Å |
| 413 | I | 84.3 | Confident | 83.7 | Confident | 79 Ų | 79 | 56 Ų | 56 | 41% | 0.405 | 31% | 0.312 | S | S | . | . | trans | -68.4 | 125 | -180 | -60.8 | 172.9 | 0 | 0 | 0 | 110 | I410 D411 V539 A540 | I410-I413 HydrophobicContact CG1-CD1 4.11Å; I410-I413 WeakPolarHBondContact O-CB 3.31Å; I410-I413 WeakPolarHBondContact O-CG1 3.22Å; I410-I413 PolarHBondContact O-N 3.14Å; D411-I413 VanDerWaalsContact C-N 3.29Å; I413-V539 HydrophobicContact CG2-CG1 3.48Å; I413-V539 VanDerWaalsContact CG2-CG1 3.48Å; I413-A540 WeakPolarHBondContact CA-O 3.4Å | ||
| 414 | Q | 85.1 | Confident | 84.2 | Confident | 68 Ų | 68 | 53.1 Ų | 53.1 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.5 | 178.9 | -68.4 | -172 | -16.3 | 0 | 0 | 111.3 | T412 F416 V539 A540 | T412-Q414 PolarHBondContact O-N 3.41Å; Q414-F416 HydrophobicContact CB-CD2 4.44Å; Q414-F416 HydrophobicContact CB-CE2 3.62Å; Q414-F416 HydrophobicContact CB-CZ 3.94Å; Q414-V539 WeakPolarHBondContact O-CA 3.42Å; Q414-A540 PolarHBondContact N-O 3.08Å; Q414-A540 PolarHBondContact O-N 3.28Å |
| 415 | T | 86.8 | Confident | 84.9 | Confident | 40 Ų | 40 | 52.3 Ų | 52.3 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134.1 | 174.3 | 59.1 | 0 | 0 | 0 | 0 | 109.8 | V539 L754 | T415-V539 HydrophobicContact CG2-CG1 4.42Å; T415-V539 HydrophobicContact CG2-CG2 4.12Å; T415-L754 HydrophobicContact CG2-CD2 4.04Å |
| 416 | F | 89.3 | Confident | 85.3 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.5 | 178 | -60.3 | -94.3 | 0 | 0 | 0 | 108.4 | Q414 V419 G476 A477 P478 K480 P537 I538 A540 | Q414-F416 HydrophobicContact CB-CD2 4.44Å; Q414-F416 HydrophobicContact CB-CE2 3.62Å; Q414-F416 HydrophobicContact CB-CZ 3.94Å; F416-V419 HydrophobicContact CB-CG1 3.48Å; F416-V419 VanDerWaalsContact CB-CG1 3.48Å; F416-V419 HydrophobicContact CG-CG1 4.15Å; F416-G476 WeakPolarHBondContact CD1-O 3.42Å; F416-G476 WeakPolarHBondContact CE1-O 3.41Å; F416-A477 HydrophobicContact CD1-CB 3.97Å; F416-A477 HydrophobicContact CD2-CB 3.92Å; F416-A477 HydrophobicContact CE1-CB 3.94Å; F416-A477 HydrophobicContact CE2-CB 3.89Å; F416-A477 HydrophobicContact CG-CB 3.98Å; F416-A477 HydrophobicContact CZ-CB 3.9Å; F416-P478 VanDerWaalsContact CE1-O 3.27Å; F416-P478 WeakPolarHBondContact CE1-O 3.13Å; F416-P478 WeakPolarHBondContact CZ-O 3.12Å; F416-K480 HydrophobicContact CD1-CD 4.37Å; F416-K480 HydrophobicContact CD1-CG 3.7Å; F416-K480 HydrophobicContact CE1-CG 3.79Å; F416-P537 CarbonylContact O-C 3.49Å; F416-P537 VanDerWaalsContact O-CA 3.29Å; F416-P537 WeakPolarHBondContact O-CA 3.43Å; F416-I538 HydrophobicContact CB-CG1 3.9Å; F416-I538 HydrophobicContact CD2-CD1 4.42Å; F416-I538 HydrophobicContact CD2-CG1 4.28Å; F416-I538 HydrophobicContact CG-CG1 4.48Å; F416-I538 PolarHBondContact N-O 3.49Å; F416-I538 PolarHBondContact O-N 3.44Å; F416-A540 HydrophobicContact CD2-CB 4.17Å; F416-A540 HydrophobicContact CE2-CB 3.84Å |
| 417 | D | 87.9 | Confident | 85.9 | Confident | 94 Ų | 94 | 44.6 Ų | 44.6 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -37.3 | -172.9 | -56.6 | -55.4 | 0 | 0 | 0 | 112.2 | P537 | D417-P537 WeakPolarHBondContact O-CA 3.29Å; D417-P537 WeakPolarHBondContact O-CB 3.49Å |
| 418 | E | 87.9 | Confident | 86.3 | Confident | 130 Ų | 130 | 47.4 Ų | 47.4 | 61% | 0.607 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 113.5 | 178 | -64.4 | -173.1 | 156 | 0 | 0 | 109.5 | ||
| 419 | V | 92.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 154.4 | 168.9 | -59.6 | 0 | 0 | 0 | 0 | 108.9 | F416 I421 V474 S475 A477 T535 G536 I538 | F416-V419 HydrophobicContact CB-CG1 3.48Å; F416-V419 VanDerWaalsContact CB-CG1 3.48Å; F416-V419 HydrophobicContact CG-CG1 4.15Å; V419-I421 HydrophobicContact CG2-CD1 4.49Å; V419-I421 HydrophobicContact CG2-CG1 4.26Å; V419-V474 HydrophobicContact CB-CG2 4.19Å; V419-V474 HydrophobicContact CG2-CG2 4.46Å; V419-S475 WeakPolarHBondContact CB-O 3.41Å; V419-A477 HydrophobicContact CG1-CB 4.15Å; V419-T535 CarbonylContact O-C 3.6Å; V419-T535 WeakPolarHBondContact O-CA 3.32Å; V419-T535 WeakPolarHBondContact O-CG2 3.46Å; V419-G536 VanDerWaalsContact CG2-O 3.29Å; V419-G536 WeakPolarHBondContact CG2-O 3.32Å; V419-G536 PolarHBondContact N-O 3.2Å; V419-G536 PolarHBondContact O-N 3.14Å; V419-I538 HydrophobicContact CB-CD1 4.34Å; V419-I538 HydrophobicContact CB-CG1 4.37Å; V419-I538 HydrophobicContact CG1-CD1 4Å; V419-I538 HydrophobicContact CG1-CG1 3.93Å; V419-I538 HydrophobicContact CG2-CB 4.15Å; V419-I538 HydrophobicContact CG2-CD1 3.65Å; V419-I538 HydrophobicContact CG2-CG1 3.51Å; V419-I538 HydrophobicContact CG2-CG2 3.64Å |
| 420 | T | 93.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126 | 168.6 | -57.1 | 0 | 0 | 0 | 0 | 109 | V474 S475 H484 A485 I488 C533 T535 | T420-V474 WeakPolarHBondContact O-CA 3.27Å; T420-S475 PolarHBondContact N-O 3.28Å; T420-S475 VanDerWaalsContact N-O 3.16Å; T420-S475 PolarHBondContact O-N 2.73Å; T420-H484 PolarHBondContact OG1-CE1 3.25Å; T420-H484 PolarHBondContact OG1-ND1 3.49Å; T420-A485 WeakPolarHBondContact OG1-CA 3.34Å; T420-I488 HydrophobicContact CG2-CB 3.94Å; T420-I488 HydrophobicContact CG2-CG1 4.16Å; T420-I488 HydrophobicContact CG2-CG2 3.74Å; T420-C533 HydrophobicContact CG2-CB 4.27Å; T420-T535 PolarHBondContact OG1-OG1 3.31Å |
| 421 | I | 94 | Very high | 87.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131.1 | 175.4 | -63.3 | 176.6 | 0 | 0 | 0 | 108.5 | V419 F423 M472 L473 V474 C533 H534 I538 L552 T556 V557 S560 | V419-I421 HydrophobicContact CG2-CD1 4.49Å; V419-I421 HydrophobicContact CG2-CG1 4.26Å; I421-F423 HydrophobicContact CG2-CD2 3.99Å; I421-F423 HydrophobicContact CG2-CE2 3.69Å; I421-M472 HydrophobicContact CD1-CE 4.05Å; I421-M472 HydrophobicContact CG2-CE 3.7Å; I421-M472 HydrophobicContact CG2-CG 4.24Å; I421-L473 CarbonylContact C-O 3.44Å; I421-L473 VanDerWaalsContact CA-O 3.32Å; I421-L473 WeakPolarHBondContact CA-O 3.33Å; I421-V474 HydrophobicContact CG1-CB 4.29Å; I421-V474 HydrophobicContact CG1-CG2 3.94Å; I421-C533 VanDerWaalsContact O-CA 3.29Å; I421-C533 WeakPolarHBondContact O-CA 3.48Å; I421-H534 PolarHBondContact N-O 2.95Å; I421-H534 PolarHBondContact O-N 3.31Å; I421-I538 HydrophobicContact CD1-CG2 4Å; I421-L552 HydrophobicContact CD1-CD1 3.84Å; I421-L552 HydrophobicContact CG1-CD1 4.28Å; I421-T556 HydrophobicContact CD1-CG2 4.15Å; I421-V557 HydrophobicContact CD1-CB 4.49Å; I421-V557 HydrophobicContact CD1-CG2 3.73Å; I421-S560 WeakPolarHBondContact CB-OG 3.31Å; I421-S560 PolarHBondContact O-OG 2.88Å; I421-S560 VanDerWaalsContact O-OG 3.1Å |
| 422 | C | 93.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.6 | 173.4 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | L473 I488 I531 G532 C533 | C422-L473 HydrophobicContact CB-CB 4.22Å; C422-L473 PolarHBondContact N-O 3.37Å; C422-L473 PolarHBondContact O-N 3.14Å; C422-I488 HydrophobicContact CB-CD1 4.26Å; C422-I488 HydrophobicContact CB-CG2 3.5Å; C422-I488 VanDerWaalsContact CB-CG2 3.5Å; C422-I531 VanDerWaalsContact SG-CG2 3.54Å; C422-G532 WeakPolarHBondContact CA-O 3.49Å; C422-C533 VanDerWaalsContact SG-SG 3.64Å |
| 423 | F | 94 | Very high | 88.4 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.8 | 166.5 | -79.7 | -85.1 | 0 | 0 | 0 | 109.2 | I421 Y471 M472 I531 G532 V557 M564 | I421-F423 HydrophobicContact CG2-CD2 3.99Å; I421-F423 HydrophobicContact CG2-CE2 3.69Å; F423-Y471 WeakPolarHBondContact CA-O 3.31Å; F423-M472 HydrophobicContact CD1-CB 4.03Å; F423-M472 HydrophobicContact CD1-CG 4.13Å; F423-M472 HydrophobicContact CE1-CB 3.7Å; F423-M472 HydrophobicContact CE1-CG 3.56Å; F423-M472 HydrophobicContact CE1-SD 3.78Å; F423-M472 HydrophobicContact CE2-CE 4.28Å; F423-M472 HydrophobicContact CE2-CG 4.19Å; F423-M472 HydrophobicContact CE2-SD 4.37Å; F423-M472 HydrophobicContact CZ-CB 4.27Å; F423-M472 HydrophobicContact CZ-CE 3.89Å; F423-M472 HydrophobicContact CZ-CG 3.61Å; F423-M472 HydrophobicContact CZ-SD 3.49Å; F423-M472 WeakPolarHBondContact CZ-SD 3.4Å; F423-I531 WeakPolarHBondContact O-CA 3.45Å; F423-G532 PolarHBondContact N-O 2.85Å; F423-G532 PolarHBondContact O-N 3.38Å; F423-V557 HydrophobicContact CE2-CG1 4.18Å; F423-V557 WeakPolarHBondContact CE2-O 3.39Å; F423-V557 HydrophobicContact CZ-CG1 3.93Å; F423-M564 HydrophobicContact CB-CB 3.84Å; F423-M564 HydrophobicContact CB-CE 4.25Å; F423-M564 HydrophobicContact CB-CG 4.15Å |
| 424 | T | 91.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 149.3 | 166 | 80.2 | 0 | 0 | 0 | 0 | 109.4 | S470 Y471 I495 Y530 I531 | T424-S470 CarbonylContact O-C 3.57Å; T424-S470 WeakPolarHBondContact O-CA 3.42Å; T424-S470 WeakPolarHBondContact O-CB 3.4Å; T424-Y471 PolarHBondContact N-O 3.34Å; T424-Y471 PolarHBondContact O-N 2.99Å; T424-Y471 VanDerWaalsContact OG1-CB 3.27Å; T424-Y471 WeakPolarHBondContact OG1-CB 3.29Å; T424-I495 HydrophobicContact CG2-CD1 4.49Å; T424-I495 HydrophobicContact CG2-CG2 4.39Å; T424-Y530 CarbonylContact C-O 3.58Å; T424-Y530 VanDerWaalsContact CA-O 3.3Å; T424-Y530 WeakPolarHBondContact CA-O 3.42Å; T424-I531 HydrophobicContact CG2-CD1 4.04Å; T424-I531 HydrophobicContact CG2-CG1 4.05Å; T424-I531 HydrophobicContact CG2-CG2 4.47Å |
| 425 | K | 91.2 | Very high | 88.3 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 34% | 0.335 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 140.7 | 174.8 | -176.6 | 171.4 | -176.6 | 171.6 | 0 | 110.8 | D469 L529 Y530 M564 | K425-D469 WeakPolarHBondContact CE-OD2 3.43Å; K425-D469 WeakPolarHBondContact CG-OD2 3.31Å; K425-L529 CarbonylContact O-C 3.58Å; K425-L529 WeakPolarHBondContact O-CA 3.43Å; K425-Y530 PolarHBondContact N-O 3.43Å; K425-Y530 PolarHBondContact O-N 3.21Å; K425-M564 HydrophobicContact CB-CE 3.71Å; K425-M564 HydrophobicContact CB-CG 4.01Å; K425-M564 HydrophobicContact CB-SD 3.35Å; K425-M564 WeakPolarHBondContact CB-SD 3.21Å; K425-M564 HydrophobicContact CD-CE 3.81Å; K425-M564 HydrophobicContact CD-SD 3.71Å; K425-M564 HydrophobicContact CG-CE 4.37Å; K425-M564 HydrophobicContact CG-SD 4.13Å |
| 426 | V | 90.2 | Very high | 87.9 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.2 | 178.8 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | N428 F429 M448 W505 L527 L529 | V426-N428 PolarHBondContact O-N 3.48Å; V426-F429 HydrophobicContact CB-CB 4Å; V426-F429 HydrophobicContact CB-CD2 4.01Å; V426-F429 HydrophobicContact CB-CG 4.37Å; V426-F429 HydrophobicContact CG1-CB 4.18Å; V426-F429 HydrophobicContact CG1-CD2 4.06Å; V426-F429 HydrophobicContact CG2-CD2 4.39Å; V426-M448 HydrophobicContact CG2-CE 4.28Å; V426-M448 HydrophobicContact CG2-SD 3.72Å; V426-W505 HydrophobicContact CG1-CH2 3.75Å; V426-W505 HydrophobicContact CG1-CZ2 3.58Å; V426-L527 HydrophobicContact CG1-CD1 3.78Å; V426-L527 HydrophobicContact CG1-CD2 4.06Å; V426-L527 HydrophobicContact CG1-CG 3.83Å; V426-L527 HydrophobicContact CG2-CD1 4.38Å; V426-L527 HydrophobicContact CG2-CD2 4Å; V426-L529 HydrophobicContact CG2-CD2 3.96Å |
| 427 | V | 88.8 | Confident | 87.6 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 131.2 | 178 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | F429 H528 Y530 P569 | V427-F429 PolarHBondContact O-N 3.13Å; V427-F429 VanDerWaalsContact O-N 3.1Å; V427-H528 HydrophobicContact CB-CB 4.01Å; V427-H528 HydrophobicContact CG2-CB 3.73Å; V427-H528 WeakPolarHBondContact CG2-O 3.27Å; V427-H528 PolarHBondContact N-O 3.44Å; V427-Y530 HydrophobicContact CB-CD2 4.33Å; V427-Y530 HydrophobicContact CB-CE2 3.92Å; V427-Y530 HydrophobicContact CG1-CE2 3.83Å; V427-Y530 HydrophobicContact CG2-CD1 4.41Å; V427-Y530 HydrophobicContact CG2-CD2 3.63Å; V427-Y530 HydrophobicContact CG2-CE1 4.29Å; V427-Y530 HydrophobicContact CG2-CE2 3.5Å; V427-Y530 VanDerWaalsContact CG2-CE2 3.5Å; V427-Y530 HydrophobicContact CG2-CG 4.09Å; V427-P569 HydrophobicContact CG2-CB 4.13Å; V427-P569 HydrophobicContact CG2-CG 4.29Å |
| 428 | N | 85.2 | Confident | 87.5 | Confident | 111 Ų | 111 | 50.7 Ų | 50.7 | 59% | 0.594 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 25.8 | 177.6 | -66.5 | -20.8 | 0 | 0 | 0 | 115.5 | V426 A430 A431 K432 | V426-N428 PolarHBondContact O-N 3.48Å; N428-A430 VanDerWaalsContact C-N 3.35Å; N428-A430 PolarHBondContact O-N 3.22Å; N428-A431 PolarHBondContact O-N 3.47Å; N428-A431 VanDerWaalsContact O-N 3.13Å; N428-K432 PolarHBondContact O-N 2.94Å |
| 429 | F | 85.4 | Confident | 87.3 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -51.3 | -49.3 | -178.2 | -175 | -101.6 | 0 | 0 | 0 | 113.6 | V426 V427 A431 K432 C433 V441 L445 D469 W505 | V426-F429 HydrophobicContact CB-CB 4Å; V426-F429 HydrophobicContact CB-CD2 4.01Å; V426-F429 HydrophobicContact CB-CG 4.37Å; V426-F429 HydrophobicContact CG1-CB 4.18Å; V426-F429 HydrophobicContact CG1-CD2 4.06Å; V426-F429 HydrophobicContact CG2-CD2 4.39Å; V427-F429 PolarHBondContact O-N 3.13Å; V427-F429 VanDerWaalsContact O-N 3.1Å; F429-A431 VanDerWaalsContact C-N 3.31Å; F429-A431 PolarHBondContact O-N 3.09Å; F429-K432 PolarHBondContact O-N 3.28Å; F429-C433 WeakPolarHBondContact CE1-SG 3.46Å; F429-C433 WeakPolarHBondContact CZ-SG 3.41Å; F429-C433 WeakPolarHBondContact O-CB 3.41Å; F429-C433 PolarHBondContact O-N 3.29Å; F429-C433 PolarHBondContact O-SG 3.34Å; F429-V441 HydrophobicContact CE2-CG1 4.48Å; F429-V441 HydrophobicContact CZ-CG1 3.92Å; F429-L445 HydrophobicContact CE2-CD2 3.9Å; F429-L445 HydrophobicContact CE2-CG 4.44Å; F429-L445 HydrophobicContact CZ-CD1 4.12Å; F429-L445 HydrophobicContact CZ-CD2 3.97Å; F429-L445 HydrophobicContact CZ-CG 4.28Å; F429-D469 HydrophobicContact CB-CB 4.21Å; F429-D469 VanDerWaalsContact CB-OD2 3.28Å; F429-D469 WeakPolarHBondContact CB-OD2 3.37Å; F429-D469 HydrophobicContact CD1-CB 3.56Å; F429-D469 HydrophobicContact CD2-CB 3.96Å; F429-D469 HydrophobicContact CE1-CB 3.83Å; F429-D469 HydrophobicContact CE2-CB 4.23Å; F429-D469 HydrophobicContact CG-CB 3.63Å; F429-D469 HydrophobicContact CZ-CB 4.16Å; F429-W505 AromaticContact CD2-CH2 3.99Å; F429-W505 HydrophobicContact CD2-CH2 3.99Å |
| 430 | A | 85.4 | Confident | 86.8 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 60% | 0.603 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.7 | -37.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | N428 M434 | N428-A430 VanDerWaalsContact C-N 3.35Å; N428-A430 PolarHBondContact O-N 3.22Å; A430-M434 WeakPolarHBondContact O-CG 3.46Å |
| 431 | A | 86 | Confident | 86.5 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.7 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | N428 F429 M434 H435 | N428-A431 PolarHBondContact O-N 3.47Å; N428-A431 VanDerWaalsContact O-N 3.13Å; F429-A431 VanDerWaalsContact C-N 3.31Å; F429-A431 PolarHBondContact O-N 3.09Å; A431-M434 PolarHBondContact O-N 3.45Å; A431-H435 PolarHBondContact O-CD2 3.43Å |
| 432 | K | 81.6 | Confident | 86.1 | Confident | 65 Ų | 65 | 57.4 Ų | 57.4 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 178.1 | -69.9 | -74.2 | -175.5 | 176 | 0 | 112.2 | N428 F429 M434 H435 I436 W505 E525 | N428-K432 PolarHBondContact O-N 2.94Å; F429-K432 PolarHBondContact O-N 3.28Å; K432-M434 PolarHBondContact O-N 3.06Å; K432-M434 VanDerWaalsContact O-N 3.14Å; K432-H435 PolarHBondContact O-N 2.82Å; K432-H435 VanDerWaalsContact O-N 3.08Å; K432-I436 HydrophobicContact CB-CD1 4.32Å; K432-I436 WeakPolarHBondContact O-CD1 3.08Å; K432-I436 WeakPolarHBondContact O-CG1 3.22Å; K432-W505 HydrophobicContact CB-CD2 4.32Å; K432-W505 HydrophobicContact CB-CE3 3.86Å; K432-W505 HydrophobicContact CB-CH2 3.55Å; K432-W505 HydrophobicContact CB-CZ2 4.03Å; K432-W505 HydrophobicContact CB-CZ3 3.46Å; K432-W505 VanDerWaalsContact CB-CZ3 3.46Å; K432-W505 HydrophobicContact CD-CD2 4.23Å; K432-W505 HydrophobicContact CG-CD2 4.18Å; K432-W505 HydrophobicContact CG-CE3 4.24Å; K432-W505 HydrophobicContact CG-CH2 3.87Å; K432-W505 HydrophobicContact CG-CZ2 3.79Å; K432-W505 HydrophobicContact CG-CZ3 4.1Å; K432-E525 IonicContact NZ-OE2 3.79Å; K432-E525 PolarHBondContact NZ-OE2 3.5Å |
| 433 | C | 83.6 | Confident | 85.7 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 24% | 0.243 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19.3 | 177.1 | -69.6 | 0 | 0 | 0 | 0 | 114 | F429 H435 | F429-C433 WeakPolarHBondContact CE1-SG 3.46Å; F429-C433 WeakPolarHBondContact CZ-SG 3.41Å; F429-C433 WeakPolarHBondContact O-CB 3.41Å; F429-C433 PolarHBondContact O-N 3.29Å; F429-C433 PolarHBondContact O-SG 3.34Å; C433-H435 PolarHBondContact O-N 3.05Å |
| 434 | M | 83.7 | Confident | 85.4 | Confident | 150 Ų | 150 | 61.1 Ų | 61.1 | 74% | 0.739 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -20.2 | 175.7 | -60.6 | -175 | -154.5 | 0 | 0 | 113 | A430 A431 K432 | A430-M434 WeakPolarHBondContact O-CG 3.46Å; A431-M434 PolarHBondContact O-N 3.45Å; K432-M434 PolarHBondContact O-N 3.06Å; K432-M434 VanDerWaalsContact O-N 3.14Å |
| 435 | H | 81.7 | Confident | 85.1 | Confident | 136 Ų | 136 | 62.5 Ų | 62.5 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -109.2 | -2.8 | -174.3 | -58.4 | -64.5 | 0 | 0 | 0 | 113.7 | A431 K432 C433 | A431-H435 PolarHBondContact O-CD2 3.43Å; K432-H435 PolarHBondContact O-N 2.82Å; K432-H435 VanDerWaalsContact O-N 3.08Å; C433-H435 PolarHBondContact O-N 3.05Å |
| 436 | I | 80 | Confident | 85 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 11% | 0.113 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -116.8 | 144.6 | -173.3 | -60.1 | 165.8 | 0 | 0 | 0 | 108.7 | K432 Q440 V441 W505 P506 | K432-I436 HydrophobicContact CB-CD1 4.32Å; K432-I436 WeakPolarHBondContact O-CD1 3.08Å; K432-I436 WeakPolarHBondContact O-CG1 3.22Å; I436-Q440 HydrophobicContact CG2-CB 3.56Å; I436-V441 HydrophobicContact CB-CG2 3.98Å; I436-V441 HydrophobicContact CG2-CG2 3.7Å; I436-W505 HydrophobicContact CD1-CE3 3.49Å; I436-W505 VanDerWaalsContact CD1-CE3 3.49Å; I436-W505 HydrophobicContact CD1-CZ3 3.9Å; I436-P506 HydrophobicContact CB-CG 4.49Å; I436-P506 HydrophobicContact CD1-CG 3.9Å; I436-P506 HydrophobicContact CG1-CG 4.16Å; I436-P506 HydrophobicContact CG2-CB 4.43Å; I436-P506 HydrophobicContact CG2-CG 3.47Å; I436-P506 VanDerWaalsContact CG2-CG 3.47Å |
| 437 | S | 82.7 | Confident | 84.8 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 27% | 0.273 | 36% | 0.362 | S | S | . | . | trans | -68.1 | 152.2 | 176 | 63.7 | 0 | 0 | 0 | 0 | 112.3 | E439 Q440 V441 | S437-E439 VanDerWaalsContact C-N 3.27Å; S437-E439 PolarHBondContact O-N 2.87Å; S437-Q440 PolarHBondContact O-N 3.41Å; S437-Q440 WeakPolarHBondContact OG-CB 3.44Å; S437-Q440 WeakPolarHBondContact OG-CG 3.37Å; S437-Q440 PolarHBondContact OG-OE1 3.44Å; S437-V441 WeakPolarHBondContact O-CG2 3.21Å; S437-V441 PolarHBondContact O-N 3.28Å | ||
| 438 | V | 84.7 | Confident | 84.8 | Confident | 103 Ų | 103 | 67.3 Ų | 67.3 | 62% | 0.624 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.6 | -39.2 | -177.2 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | V441 I442 | V438-V441 PolarHBondContact O-N 3.13Å; V438-I442 HydrophobicContact CG1-CD1 3.91Å; V438-I442 HydrophobicContact CG1-CG1 4.47Å; V438-I442 VanDerWaalsContact O-CG1 3.31Å; V438-I442 WeakPolarHBondContact O-CG1 3.32Å; V438-I442 PolarHBondContact O-N 3.28Å |
| 439 | E | 84.7 | Confident | 84.9 | Confident | 141 Ų | 141 | 63.6 Ų | 63.6 | 66% | 0.659 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.9 | -44.7 | 177.6 | -62 | 81.1 | -178.6 | 0 | 0 | 111.6 | S437 I442 E443 | S437-E439 VanDerWaalsContact C-N 3.27Å; S437-E439 PolarHBondContact O-N 2.87Å; E439-I442 PolarHBondContact O-N 3.25Å; E439-E443 WeakPolarHBondContact O-CB 3.3Å; E439-E443 PolarHBondContact O-N 2.94Å |
| 440 | Q | 82.5 | Confident | 85.1 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 9% | 0.089 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.2 | -36.4 | 177.4 | -73.6 | 170.8 | -35 | 0 | 0 | 112.3 | I436 S437 E443 L444 P506 T520 | I436-Q440 HydrophobicContact CG2-CB 3.56Å; S437-Q440 PolarHBondContact O-N 3.41Å; S437-Q440 WeakPolarHBondContact OG-CB 3.44Å; S437-Q440 WeakPolarHBondContact OG-CG 3.37Å; S437-Q440 PolarHBondContact OG-OE1 3.44Å; Q440-E443 PolarHBondContact O-N 3.46Å; Q440-L444 WeakPolarHBondContact O-CB 3.48Å; Q440-L444 PolarHBondContact O-N 3.21Å; Q440-P506 HydrophobicContact CB-CB 4.19Å; Q440-P506 HydrophobicContact CB-CG 4.06Å; Q440-P506 HydrophobicContact CG-CB 4.33Å; Q440-T520 HydrophobicContact CG-CG2 3.94Å |
| 441 | V | 85.5 | Confident | 85.2 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 174.3 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | F429 I436 S437 V438 L444 L445 | F429-V441 HydrophobicContact CE2-CG1 4.48Å; F429-V441 HydrophobicContact CZ-CG1 3.92Å; I436-V441 HydrophobicContact CB-CG2 3.98Å; I436-V441 HydrophobicContact CG2-CG2 3.7Å; S437-V441 WeakPolarHBondContact O-CG2 3.21Å; S437-V441 PolarHBondContact O-N 3.28Å; V438-V441 PolarHBondContact O-N 3.13Å; V441-L444 PolarHBondContact O-N 3.1Å; V441-L445 HydrophobicContact CG1-CD1 4.13Å; V441-L445 HydrophobicContact CG1-CG 4.44Å; V441-L445 WeakPolarHBondContact O-CB 3.45Å; V441-L445 WeakPolarHBondContact O-CG 3.42Å; V441-L445 PolarHBondContact O-N 3.03Å |
| 442 | I | 86.4 | Confident | 85.3 | Confident | 90 Ų | 90 | 62.3 Ų | 62.3 | 46% | 0.462 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 177.4 | -67.7 | 168 | 0 | 0 | 0 | 110.8 | V438 E439 L445 N446 | V438-I442 HydrophobicContact CG1-CD1 3.91Å; V438-I442 HydrophobicContact CG1-CG1 4.47Å; V438-I442 VanDerWaalsContact O-CG1 3.31Å; V438-I442 WeakPolarHBondContact O-CG1 3.32Å; V438-I442 PolarHBondContact O-N 3.28Å; E439-I442 PolarHBondContact O-N 3.25Å; I442-L445 PolarHBondContact O-N 2.96Å; I442-N446 WeakPolarHBondContact O-CB 3.35Å; I442-N446 PolarHBondContact O-N 2.76Å; I442-N446 PolarHBondContact O-ND2 2.79Å |
| 443 | E | 85.8 | Confident | 85.6 | Confident | 88 Ų | 88 | 61.3 Ų | 61.3 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 176.4 | -172.3 | -178.9 | -175.8 | 0 | 0 | 111.6 | E439 Q440 N446 R447 T520 | E439-E443 WeakPolarHBondContact O-CB 3.3Å; E439-E443 PolarHBondContact O-N 2.94Å; Q440-E443 PolarHBondContact O-N 3.46Å; E443-N446 PolarHBondContact O-N 2.91Å; E443-R447 WeakPolarHBondContact O-CB 3.5Å; E443-R447 PolarHBondContact O-N 3.4Å; E443-T520 PolarHBondContact OE2-OG1 2.94Å |
| 444 | L | 86.4 | Confident | 85.8 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 176.6 | 178.7 | 64.8 | 0 | 0 | 0 | 111.7 | Q440 V441 R447 M448 L503 W505 L527 | Q440-L444 WeakPolarHBondContact O-CB 3.48Å; Q440-L444 PolarHBondContact O-N 3.21Å; V441-L444 PolarHBondContact O-N 3.1Å; L444-R447 PolarHBondContact O-N 3.24Å; L444-M448 VanDerWaalsContact O-CB 3.28Å; L444-M448 WeakPolarHBondContact O-CB 3.27Å; L444-M448 PolarHBondContact O-N 3.4Å; L444-L503 HydrophobicContact CD1-CD2 4.27Å; L444-W505 HydrophobicContact CD2-CE3 3.87Å; L444-W505 HydrophobicContact CD2-CZ3 3.82Å; L444-L527 HydrophobicContact CD1-CD1 4.41Å; L444-L527 HydrophobicContact CD2-CD1 4.11Å |
| 445 | L | 86.7 | Confident | 85.9 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.5 | -45 | 178.2 | -73.3 | 176.6 | 0 | 0 | 0 | 111.8 | F429 V441 I442 R447 M448 Y449 | F429-L445 HydrophobicContact CE2-CD2 3.9Å; F429-L445 HydrophobicContact CE2-CG 4.44Å; F429-L445 HydrophobicContact CZ-CD1 4.12Å; F429-L445 HydrophobicContact CZ-CD2 3.97Å; F429-L445 HydrophobicContact CZ-CG 4.28Å; V441-L445 HydrophobicContact CG1-CD1 4.13Å; V441-L445 HydrophobicContact CG1-CG 4.44Å; V441-L445 WeakPolarHBondContact O-CB 3.45Å; V441-L445 WeakPolarHBondContact O-CG 3.42Å; V441-L445 PolarHBondContact O-N 3.03Å; I442-L445 PolarHBondContact O-N 2.96Å; L445-R447 VanDerWaalsContact C-N 3.35Å; L445-R447 PolarHBondContact O-N 2.99Å; L445-M448 HydrophobicContact CD2-CE 3.89Å; L445-M448 PolarHBondContact O-N 3.1Å; L445-Y449 HydrophobicContact CB-CD2 4.48Å; L445-Y449 HydrophobicContact CB-CE2 4.06Å; L445-Y449 HydrophobicContact CD2-CE2 4.48Å; L445-Y449 WeakPolarHBondContact O-CD2 3.41Å; L445-Y449 VanDerWaalsContact O-CG 3.29Å; L445-Y449 PolarHBondContact O-N 3.25Å |
| 446 | N | 87.5 | Confident | 86.1 | Confident | 96 Ų | 96 | 49.9 Ų | 49.9 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 176.7 | -77.5 | -18.8 | 0 | 0 | 0 | 111.2 | I442 E443 M448 Y449 S450 | I442-N446 WeakPolarHBondContact O-CB 3.35Å; I442-N446 PolarHBondContact O-N 2.76Å; I442-N446 PolarHBondContact O-ND2 2.79Å; E443-N446 PolarHBondContact O-N 2.91Å; N446-M448 VanDerWaalsContact C-N 3.35Å; N446-M448 PolarHBondContact O-N 3.43Å; N446-Y449 PolarHBondContact O-N 2.86Å; N446-S450 WeakPolarHBondContact O-CB 3.25Å; N446-S450 PolarHBondContact O-N 3.17Å; N446-S450 PolarHBondContact O-OG 3.49Å |
| 447 | R | 87.8 | Confident | 86.1 | Confident | 103 Ų | 103 | 56.4 Ų | 56.4 | 39% | 0.389 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 176.2 | -176.3 | 179.9 | 167.4 | 135.1 | -3.4 | 111.8 | E443 L444 L445 L451 S502 L503 | E443-R447 WeakPolarHBondContact O-CB 3.5Å; E443-R447 PolarHBondContact O-N 3.4Å; L444-R447 PolarHBondContact O-N 3.24Å; L445-R447 VanDerWaalsContact C-N 3.35Å; L445-R447 PolarHBondContact O-N 2.99Å; R447-L451 HydrophobicContact CG-CD1 4.37Å; R447-L451 WeakPolarHBondContact O-CG 3.34Å; R447-L451 PolarHBondContact O-N 2.8Å; R447-L451 VanDerWaalsContact O-N 3.08Å; R447-S502 PolarHBondContact NE-O 3.4Å; R447-S502 PolarHBondContact NH2-O 3.16Å; R447-L503 HydrophobicContact CB-CD2 4.45Å; R447-L503 HydrophobicContact CG-CD2 3.88Å |
| 448 | M | 87.1 | Confident | 85.9 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.9 | -49 | 177.5 | -175.5 | -176.5 | 77.1 | 0 | 0 | 111.3 | V426 L444 L445 N446 L451 Y452 L503 L527 | V426-M448 HydrophobicContact CG2-CE 4.28Å; V426-M448 HydrophobicContact CG2-SD 3.72Å; L444-M448 VanDerWaalsContact O-CB 3.28Å; L444-M448 WeakPolarHBondContact O-CB 3.27Å; L444-M448 PolarHBondContact O-N 3.4Å; L445-M448 HydrophobicContact CD2-CE 3.89Å; L445-M448 PolarHBondContact O-N 3.1Å; N446-M448 VanDerWaalsContact C-N 3.35Å; N446-M448 PolarHBondContact O-N 3.43Å; M448-L451 PolarHBondContact O-N 2.72Å; M448-Y452 HydrophobicContact CE-CE2 4.3Å; M448-Y452 HydrophobicContact CG-CD2 4.02Å; M448-Y452 HydrophobicContact CG-CE1 4.27Å; M448-Y452 HydrophobicContact CG-CE2 3.26Å; M448-Y452 WeakPolarHBondContact CG-OH 3.49Å; M448-Y452 VanDerWaalsContact O-CG 3.27Å; M448-Y452 PolarHBondContact O-N 3.12Å; M448-Y452 VanDerWaalsContact O-N 3.09Å; M448-Y452 HydrophobicContact SD-CE2 3.87Å; M448-L503 HydrophobicContact CB-CD1 4.05Å; M448-L503 HydrophobicContact CG-CD1 3.9Å; M448-L527 HydrophobicContact SD-CD2 4.38Å |
| 449 | Y | 88.7 | Confident | 85.4 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 13% | 0.125 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 178.4 | -62.2 | -38 | 0 | 0 | 0 | 112.7 | L445 N446 L451 Y452 D453 T466 N468 Y471 | L445-Y449 HydrophobicContact CB-CD2 4.48Å; L445-Y449 HydrophobicContact CB-CE2 4.06Å; L445-Y449 HydrophobicContact CD2-CE2 4.48Å; L445-Y449 WeakPolarHBondContact O-CD2 3.41Å; L445-Y449 VanDerWaalsContact O-CG 3.29Å; L445-Y449 PolarHBondContact O-N 3.25Å; N446-Y449 PolarHBondContact O-N 2.86Å; Y449-L451 VanDerWaalsContact C-N 3.29Å; Y449-L451 PolarHBondContact O-N 2.91Å; Y449-Y452 PolarHBondContact O-N 3.27Å; Y449-D453 VanDerWaalsContact O-CB 3.27Å; Y449-D453 WeakPolarHBondContact O-CB 3.37Å; Y449-D453 PolarHBondContact O-N 3.42Å; Y449-T466 HydrophobicContact CD1-CG2 4.09Å; Y449-T466 HydrophobicContact CE1-CG2 3.66Å; Y449-N468 PolarHBondContact OH-O 2.61Å; Y449-Y471 AromaticContact CD1-CD2 3.57Å; Y449-Y471 HydrophobicContact CD1-CD2 3.57Å; Y449-Y471 HydrophobicContact CD1-CE2 4.01Å; Y449-Y471 AromaticContact CE1-CD2 3.84Å; Y449-Y471 HydrophobicContact CE1-CD2 3.84Å |
| 450 | S | 87.9 | Confident | 85 | Confident | 79 Ų | 79 | 50.7 Ų | 50.7 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.4 | -37.5 | 176.1 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | N446 A454 | N446-S450 WeakPolarHBondContact O-CB 3.25Å; N446-S450 PolarHBondContact O-N 3.17Å; N446-S450 PolarHBondContact O-OG 3.49Å; S450-A454 PolarHBondContact O-N 2.69Å |
| 451 | L | 87.5 | Confident | 85.1 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 174.7 | -74.6 | 170.1 | 0 | 0 | 0 | 111.6 | R447 M448 Y449 A454 L455 V498 L503 | R447-L451 HydrophobicContact CG-CD1 4.37Å; R447-L451 WeakPolarHBondContact O-CG 3.34Å; R447-L451 PolarHBondContact O-N 2.8Å; R447-L451 VanDerWaalsContact O-N 3.08Å; M448-L451 PolarHBondContact O-N 2.72Å; Y449-L451 VanDerWaalsContact C-N 3.29Å; Y449-L451 PolarHBondContact O-N 2.91Å; L451-A454 PolarHBondContact O-N 3.41Å; L451-L455 WeakPolarHBondContact O-CG 3.36Å; L451-L455 PolarHBondContact O-N 3.3Å; L451-V498 HydrophobicContact CB-CG1 4.36Å; L451-V498 HydrophobicContact CD1-CG1 4.23Å; L451-V498 HydrophobicContact CD2-CG1 4.17Å; L451-L503 HydrophobicContact CD1-CD1 4.09Å; L451-L503 HydrophobicContact CD1-CD2 3.91Å; L451-L503 HydrophobicContact CD1-CG 3.91Å |
| 452 | Y | 89.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.3 | -34.8 | -179.7 | -57.8 | -16.2 | 0 | 0 | 0 | 112.6 | M448 Y449 A454 L455 T456 Y471 I495 T499 L529 | M448-Y452 HydrophobicContact CE-CE2 4.3Å; M448-Y452 HydrophobicContact CG-CD2 4.02Å; M448-Y452 HydrophobicContact CG-CE1 4.27Å; M448-Y452 HydrophobicContact CG-CE2 3.26Å; M448-Y452 WeakPolarHBondContact CG-OH 3.49Å; M448-Y452 VanDerWaalsContact O-CG 3.27Å; M448-Y452 PolarHBondContact O-N 3.12Å; M448-Y452 VanDerWaalsContact O-N 3.09Å; M448-Y452 HydrophobicContact SD-CE2 3.87Å; Y449-Y452 PolarHBondContact O-N 3.27Å; Y452-A454 VanDerWaalsContact C-N 3.32Å; Y452-A454 PolarHBondContact O-N 2.98Å; Y452-L455 PolarHBondContact O-N 2.87Å; Y452-T456 WeakPolarHBondContact O-CG2 3.36Å; Y452-T456 PolarHBondContact O-N 3.46Å; Y452-T456 PolarHBondContact O-OG1 3.45Å; Y452-Y471 AromaticContact CD2-CD1 3.9Å; Y452-Y471 HydrophobicContact CD2-CD1 3.9Å; Y452-Y471 HydrophobicContact CD2-CD2 4.32Å; Y452-Y471 HydrophobicContact CD2-CE1 4.23Å; Y452-Y471 AromaticContact CD2-CG 3.97Å; Y452-Y471 HydrophobicContact CD2-CG 3.97Å; Y452-Y471 HydrophobicContact CG-CD1 4.4Å; Y452-Y471 HydrophobicContact CG-CE1 4.32Å; Y452-I495 HydrophobicContact CD1-CG1 3.97Å; Y452-I495 HydrophobicContact CD1-CG2 4.16Å; Y452-I495 HydrophobicContact CE1-CB 4.44Å; Y452-I495 HydrophobicContact CE1-CG1 4.35Å; Y452-I495 HydrophobicContact CE1-CG2 3.71Å; Y452-I495 HydrophobicContact CE2-CG2 4.42Å; Y452-I495 HydrophobicContact CG-CG1 4.4Å; Y452-T499 WeakPolarHBondContact CE1-OG1 3.5Å; Y452-T499 PolarHBondContact OH-OG1 3.05Å; Y452-L529 WeakPolarHBondContact OH-CD1 3.37Å |
| 453 | D | 87.8 | Confident | 85.2 | Confident | 44 Ų | 44 | 50.6 Ų | 50.6 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 174.3 | -70.8 | -5.9 | 0 | 0 | 0 | 109.6 | Y449 L455 T456 E457 K463 Y471 | Y449-D453 VanDerWaalsContact O-CB 3.27Å; Y449-D453 WeakPolarHBondContact O-CB 3.37Å; Y449-D453 PolarHBondContact O-N 3.42Å; D453-L455 VanDerWaalsContact C-N 3.34Å; D453-L455 PolarHBondContact O-N 3.28Å; D453-T456 WeakPolarHBondContact CA-OG1 3.26Å; D453-T456 PolarHBondContact O-N 3.13Å; D453-T456 VanDerWaalsContact O-N 3.16Å; D453-T456 PolarHBondContact O-OG1 3.33Å; D453-E457 PolarHBondContact O-N 3.05Å; D453-E457 VanDerWaalsContact O-N 3.09Å; D453-K463 WeakPolarHBondContact OD1-CD 3.38Å; D453-K463 WeakPolarHBondContact OD1-CE 3.3Å; D453-K463 IonicContact OD1-NZ 3.13Å; D453-K463 PolarHBondContact OD1-NZ 3.42Å; D453-K463 IonicContact OD2-NZ 3.12Å; D453-K463 PolarHBondContact OD2-NZ 2.94Å; D453-Y471 PolarHBondContact OD1-OH 3.18Å |
| 454 | A | 87.1 | Confident | 84.6 | Confident | 48 Ų | 48 | 47.2 Ų | 47.2 | 40% | 0.397 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.3 | -37 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S450 L451 Y452 N458 | S450-A454 PolarHBondContact O-N 2.69Å; L451-A454 PolarHBondContact O-N 3.41Å; Y452-A454 VanDerWaalsContact C-N 3.32Å; Y452-A454 PolarHBondContact O-N 2.98Å; A454-N458 PolarHBondContact O-OD1 3.44Å |
| 455 | L | 86.4 | Confident | 83.8 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.6 | -34.9 | 175 | -66.1 | 177.3 | 0 | 0 | 0 | 112.3 | L451 Y452 D453 N458 H459 E494 I495 V498 | L451-L455 WeakPolarHBondContact O-CG 3.36Å; L451-L455 PolarHBondContact O-N 3.3Å; Y452-L455 PolarHBondContact O-N 2.87Å; D453-L455 VanDerWaalsContact C-N 3.34Å; D453-L455 PolarHBondContact O-N 3.28Å; L455-N458 PolarHBondContact O-N 3.01Å; L455-H459 PolarHBondContact O-N 3.43Å; L455-H459 PolarHBondContact O-ND1 2.71Å; L455-E494 HydrophobicContact CD1-CB 4.35Å; L455-E494 HydrophobicContact CD2-CB 4.45Å; L455-E494 WeakPolarHBondContact CD2-OE2 3.39Å; L455-I495 HydrophobicContact CD1-CB 4.48Å; L455-I495 HydrophobicContact CD1-CG1 3.7Å; L455-V498 HydrophobicContact CD1-CB 4.33Å; L455-V498 HydrophobicContact CD1-CG2 4.15Å; L455-V498 HydrophobicContact CD2-CG2 4.35Å |
| 456 | T | 85.1 | Confident | 82.8 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.5 | -30.8 | 176.7 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | Y452 D453 N458 H459 V461 Y471 L473 | Y452-T456 WeakPolarHBondContact O-CG2 3.36Å; Y452-T456 PolarHBondContact O-N 3.46Å; Y452-T456 PolarHBondContact O-OG1 3.45Å; D453-T456 WeakPolarHBondContact CA-OG1 3.26Å; D453-T456 PolarHBondContact O-N 3.13Å; D453-T456 VanDerWaalsContact O-N 3.16Å; D453-T456 PolarHBondContact O-OG1 3.33Å; T456-N458 VanDerWaalsContact C-N 3.25Å; T456-N458 PolarHBondContact O-N 3.05Å; T456-H459 PolarHBondContact O-N 2.89Å; T456-V461 HydrophobicContact CG2-CG1 4.38Å; T456-Y471 HydrophobicContact CG2-CE1 4.36Å; T456-L473 HydrophobicContact CG2-CD1 4.33Å; T456-L473 HydrophobicContact CG2-CD2 3.38Å; T456-L473 HydrophobicContact CG2-CG 4.48Å |
| 457 | E | 80.7 | Confident | 81.9 | Confident | 159 Ų | 159 | 50.6 Ų | 50.6 | 74% | 0.743 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.5 | -29.8 | 174.6 | -71.9 | 176.7 | -173.3 | 0 | 0 | 111.9 | D453 H459 | D453-E457 PolarHBondContact O-N 3.05Å; D453-E457 VanDerWaalsContact O-N 3.09Å; E457-H459 VanDerWaalsContact C-N 3.32Å; E457-H459 PolarHBondContact O-N 3.4Å |
| 458 | N | 77.9 | Confident | 81 | Confident | 104 Ų | 104 | 52 Ų | 52 | 56% | 0.556 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.5 | 179.4 | -68.5 | 6.1 | 0 | 0 | 0 | 113.7 | A454 L455 T456 L636 | A454-N458 PolarHBondContact O-OD1 3.44Å; L455-N458 PolarHBondContact O-N 3.01Å; T456-N458 VanDerWaalsContact C-N 3.25Å; T456-N458 PolarHBondContact O-N 3.05Å; N458-L636 WeakPolarHBondContact O-CD1 3.47Å; N458-L636 WeakPolarHBondContact O-CD2 3.33Å |
| 459 | H | 74.7 | Confident | 80.7 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 11% | 0.106 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 154.1 | -177.3 | -66 | 83.1 | 0 | 0 | 0 | 110.2 | L455 T456 E457 V461 D490 T491 E494 | L455-H459 PolarHBondContact O-N 3.43Å; L455-H459 PolarHBondContact O-ND1 2.71Å; T456-H459 PolarHBondContact O-N 2.89Å; E457-H459 VanDerWaalsContact C-N 3.32Å; E457-H459 PolarHBondContact O-N 3.4Å; H459-V461 HydrophobicContact CB-CB 4.29Å; H459-V461 HydrophobicContact CB-CG2 3.81Å; H459-V461 PolarHBondContact O-N 3.02Å; H459-D490 IonicContact NE2-OD2 2.73Å; H459-T491 VanDerWaalsContact CB-OG1 3.31Å; H459-T491 WeakPolarHBondContact CB-OG1 3.38Å; H459-T491 PolarHBondContact CD2-OG1 2.93Å; H459-E494 VanDerWaalsContact CE1-CD 3.49Å; H459-E494 IonicContact CE1-OE1 3.19Å; H459-E494 IonicContact CE1-OE2 3.5Å; H459-E494 PolarHBondContact CE1-OE2 3.39Å; H459-E494 IonicContact NE2-OE1 2.99Å; H459-E494 IonicContact NE2-OE2 3.61Å |
| 460 | K | 75.9 | Confident | 80.4 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 58.9 | 171.4 | -74 | -159.2 | 161.2 | 177.5 | 0 | 111 | S475 D635 L636 K638 D640 | K460-S475 PolarHBondContact O-OG 2.91Å; K460-D635 WeakPolarHBondContact CD-O 3.42Å; K460-D635 WeakPolarHBondContact CE-O 3.41Å; K460-D635 PolarHBondContact NZ-O 3.01Å; K460-L636 WeakPolarHBondContact CE-O 3.4Å; K460-L636 HydrophobicContact CG-CD1 3.77Å; K460-K638 PolarHBondContact NZ-O 3.3Å; K460-D640 IonicContact NZ-OD1 3.76Å; K460-D640 PolarHBondContact NZ-OD1 2.87Å; K460-D640 IonicContact NZ-OD2 3.96Å |
| 461 | V | 84.4 | Confident | 80.5 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | trans | -126 | 127.6 | -175.7 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | T456 H459 L473 H487 I488 | T456-V461 HydrophobicContact CG2-CG1 4.38Å; H459-V461 HydrophobicContact CB-CB 4.29Å; H459-V461 HydrophobicContact CB-CG2 3.81Å; H459-V461 PolarHBondContact O-N 3.02Å; V461-L473 HydrophobicContact CG1-CB 3.76Å; V461-L473 HydrophobicContact CG1-CD1 4.26Å; V461-L473 HydrophobicContact CG1-CD2 3.95Å; V461-L473 HydrophobicContact CG1-CG 4.21Å; V461-H487 HydrophobicContact CG2-CB 4.05Å; V461-I488 HydrophobicContact CG1-CD1 3.69Å; V461-I488 HydrophobicContact CG2-CD1 4.11Å | ||
| 462 | Y | 86.8 | Confident | 80.6 | Confident | 48 Ų | 48 | 46.3 Ų | 46.3 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134.3 | -180 | -177.5 | -97.9 | 0 | 0 | 0 | 111.2 | P396 V464 V474 Y550 | P396-Y462 HydrophobicContact CB-CD2 4.37Å; P396-Y462 HydrophobicContact CB-CE2 3.88Å; P396-Y462 VanDerWaalsContact CD-OH 3.25Å; P396-Y462 WeakPolarHBondContact CD-OH 3.47Å; P396-Y462 HydrophobicContact CG-CD2 4.17Å; P396-Y462 HydrophobicContact CG-CE1 4.06Å; P396-Y462 HydrophobicContact CG-CE2 3.51Å; P396-Y462 VanDerWaalsContact CG-CZ 3.48Å; Y462-V464 HydrophobicContact CD1-CG2 4.18Å; Y462-V474 HydrophobicContact CD1-CG1 4.14Å; Y462-V474 PolarHBondContact N-O 3.23Å; Y462-V474 PolarHBondContact O-N 3.09Å; Y462-Y550 HydrophobicContact CD1-CD1 4.15Å; Y462-Y550 HydrophobicContact CD1-CE1 4.37Å; Y462-Y550 AromaticContact CE1-CD1 3.59Å; Y462-Y550 HydrophobicContact CE1-CD1 3.59Å; Y462-Y550 HydrophobicContact CE1-CE1 4.23Å; Y462-Y550 HydrophobicContact CE1-CG 4.4Å |
| 463 | K | 86.2 | Confident | 80.7 | Confident | 67 Ų | 67 | 46.4 Ų | 46.4 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 116.5 | 172.4 | 175.4 | -170.1 | -178.1 | 166.8 | 0 | 109.9 | D453 Y471 L473 | D453-K463 WeakPolarHBondContact OD1-CD 3.38Å; D453-K463 WeakPolarHBondContact OD1-CE 3.3Å; D453-K463 IonicContact OD1-NZ 3.13Å; D453-K463 PolarHBondContact OD1-NZ 3.42Å; D453-K463 IonicContact OD2-NZ 3.12Å; D453-K463 PolarHBondContact OD2-NZ 2.94Å; K463-Y471 HydrophobicContact CD-CE2 4Å; K463-Y471 WeakPolarHBondContact CD-OH 3.5Å; K463-Y471 HydrophobicContact CG-CE2 4.1Å; K463-L473 HydrophobicContact CB-CD2 4.5Å |
| 464 | V | 73.2 | Confident | 80.9 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -71.6 | -177.2 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | Y462 M472 V474 Y550 L552 | Y462-V464 HydrophobicContact CD1-CG2 4.18Å; V464-M472 HydrophobicContact CB-CE 4.47Å; V464-M472 HydrophobicContact CB-CG 4.33Å; V464-M472 HydrophobicContact CB-SD 4.01Å; V464-M472 HydrophobicContact CG1-SD 4.16Å; V464-M472 HydrophobicContact CG2-CE 4.28Å; V464-M472 HydrophobicContact CG2-CG 4.48Å; V464-M472 HydrophobicContact CG2-SD 4.39Å; V464-M472 PolarHBondContact N-O 2.99Å; V464-V474 HydrophobicContact CG2-CB 4.16Å; V464-V474 HydrophobicContact CG2-CG1 3.54Å; V464-Y550 WeakPolarHBondContact CG1-O 3.22Å; V464-L552 HydrophobicContact CG1-CG 3.98Å; V464-L552 HydrophobicContact CG2-CD1 3.65Å; V464-L552 HydrophobicContact CG2-CG 3.92Å |
| 465 | E | 71.3 | Confident | 81.1 | Confident | 59 Ų | 59 | 42 Ų | 42 | 28% | 0.276 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 154.9 | 179 | -72.8 | -164.4 | 146.8 | 0 | 0 | 109.2 | M472 R549 | E465-M472 VanDerWaalsContact O-CB 3.27Å; E465-M472 WeakPolarHBondContact O-CB 3.43Å; E465-R549 WeakPolarHBondContact OE1-CD 3.38Å; E465-R549 WeakPolarHBondContact OE1-CG 3.36Å; E465-R549 IonicContact OE1-CZ 3.82Å; E465-R549 IonicContact OE1-NE 3.99Å; E465-R549 IonicContact OE1-NH1 3.9Å; E465-R549 PolarHBondContact OE1-NH1 3.44Å; E465-R549 IonicContact OE2-NH1 2.81Å |
| 466 | T | 64.7 | Low | 81.2 | Confident | 59 Ų | 59 | 41.2 Ų | 41.2 | 36% | 0.362 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.3 | 167.6 | 51.8 | 0 | 0 | 0 | 0 | 109.6 | Y449 S470 Y471 | Y449-T466 HydrophobicContact CD1-CG2 4.09Å; Y449-T466 HydrophobicContact CE1-CG2 3.66Å; T466-S470 WeakPolarHBondContact CA-O 3.44Å; T466-S470 WeakPolarHBondContact CB-O 3.35Å; T466-Y471 HydrophobicContact CG2-CD2 3.45Å; T466-Y471 VanDerWaalsContact CG2-CD2 3.45Å; T466-Y471 HydrophobicContact CG2-CE2 4Å; T466-Y471 HydrophobicContact CG2-CG 4.43Å |
| 467 | V | 68.4 | Low | 81.2 | Confident | 85 Ų | 85 | 40.7 Ų | 40.7 | 52% | 0.515 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 105.3 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 107.3 | D469 S470 | V467-D469 PolarHBondContact O-N 3.5Å; V467-S470 PolarHBondContact N-O 2.98Å; V467-S470 VanDerWaalsContact N-O 3.13Å; V467-S470 VanDerWaalsContact O-CB 3.28Å; V467-S470 WeakPolarHBondContact O-CB 3.47Å; V467-S470 PolarHBondContact O-N 2.96Å; V467-S470 PolarHBondContact O-OG 3.36Å |
| 468 | N | 70.4 | Confident | 81.1 | Confident | 133 Ų | 133 | 33.7 Ų | 33.7 | 71% | 0.711 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | -124.3 | -172.9 | -54.9 | -38.9 | 0 | 0 | 0 | 111.4 | Y449 S470 | Y449-N468 PolarHBondContact OH-O 2.61Å; N468-S470 PolarHBondContact O-N 3.2Å |
| 469 | D | 79.9 | Confident | 81.4 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 7% | 0.07 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 1.7 | 177 | 62.5 | -33.2 | 0 | 0 | 0 | 113.9 | K425 F429 V467 | K425-D469 WeakPolarHBondContact CE-OD2 3.43Å; K425-D469 WeakPolarHBondContact CG-OD2 3.31Å; F429-D469 HydrophobicContact CB-CB 4.21Å; F429-D469 VanDerWaalsContact CB-OD2 3.28Å; F429-D469 WeakPolarHBondContact CB-OD2 3.37Å; F429-D469 HydrophobicContact CD1-CB 3.56Å; F429-D469 HydrophobicContact CD2-CB 3.96Å; F429-D469 HydrophobicContact CE1-CB 3.83Å; F429-D469 HydrophobicContact CE2-CB 4.23Å; F429-D469 HydrophobicContact CG-CB 3.63Å; F429-D469 HydrophobicContact CZ-CB 4.16Å; V467-D469 PolarHBondContact O-N 3.5Å |
| 470 | S | 82.7 | Confident | 81.7 | Confident | 14 Ų | 14 | 37.1 Ų | 37.1 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 138.7 | -175.9 | -50.7 | 0 | 0 | 0 | 0 | 111.8 | T424 T466 V467 N468 | T424-S470 CarbonylContact O-C 3.57Å; T424-S470 WeakPolarHBondContact O-CA 3.42Å; T424-S470 WeakPolarHBondContact O-CB 3.4Å; T466-S470 WeakPolarHBondContact CA-O 3.44Å; T466-S470 WeakPolarHBondContact CB-O 3.35Å; V467-S470 PolarHBondContact N-O 2.98Å; V467-S470 VanDerWaalsContact N-O 3.13Å; V467-S470 VanDerWaalsContact O-CB 3.28Å; V467-S470 WeakPolarHBondContact O-CB 3.47Å; V467-S470 PolarHBondContact O-N 2.96Å; V467-S470 PolarHBondContact O-OG 3.36Å; N468-S470 PolarHBondContact O-N 3.2Å |
| 471 | Y | 89.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.9 | 179.2 | -165.7 | -107 | 0 | 0 | 0 | 109.7 | F423 T424 Y449 Y452 D453 T456 K463 T466 L473 | F423-Y471 WeakPolarHBondContact CA-O 3.31Å; T424-Y471 PolarHBondContact N-O 3.34Å; T424-Y471 PolarHBondContact O-N 2.99Å; T424-Y471 VanDerWaalsContact OG1-CB 3.27Å; T424-Y471 WeakPolarHBondContact OG1-CB 3.29Å; Y449-Y471 AromaticContact CD1-CD2 3.57Å; Y449-Y471 HydrophobicContact CD1-CD2 3.57Å; Y449-Y471 HydrophobicContact CD1-CE2 4.01Å; Y449-Y471 AromaticContact CE1-CD2 3.84Å; Y449-Y471 HydrophobicContact CE1-CD2 3.84Å; Y452-Y471 AromaticContact CD2-CD1 3.9Å; Y452-Y471 HydrophobicContact CD2-CD1 3.9Å; Y452-Y471 HydrophobicContact CD2-CD2 4.32Å; Y452-Y471 HydrophobicContact CD2-CE1 4.23Å; Y452-Y471 AromaticContact CD2-CG 3.97Å; Y452-Y471 HydrophobicContact CD2-CG 3.97Å; Y452-Y471 HydrophobicContact CG-CD1 4.4Å; Y452-Y471 HydrophobicContact CG-CE1 4.32Å; D453-Y471 PolarHBondContact OD1-OH 3.18Å; T456-Y471 HydrophobicContact CG2-CE1 4.36Å; K463-Y471 HydrophobicContact CD-CE2 4Å; K463-Y471 WeakPolarHBondContact CD-OH 3.5Å; K463-Y471 HydrophobicContact CG-CE2 4.1Å; T466-Y471 HydrophobicContact CG2-CD2 3.45Å; T466-Y471 VanDerWaalsContact CG2-CD2 3.45Å; T466-Y471 HydrophobicContact CG2-CE2 4Å; T466-Y471 HydrophobicContact CG2-CG 4.43Å; Y471-L473 HydrophobicContact CD1-CD1 4.15Å; Y471-L473 HydrophobicContact CD1-CD2 3.91Å; Y471-L473 HydrophobicContact CD1-CG 3.84Å; Y471-L473 HydrophobicContact CE1-CD1 4.03Å; Y471-L473 HydrophobicContact CE1-CD2 3.33Å; Y471-L473 HydrophobicContact CE1-CG 3.76Å |
| 472 | M | 91 | Very high | 81.9 | Confident | 17 Ų | 17 | 40.2 Ų | 40.2 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.3 | -174.2 | -173.6 | -175 | 173.9 | 0 | 0 | 111.5 | I421 F423 V464 E465 L552 V557 | I421-M472 HydrophobicContact CD1-CE 4.05Å; I421-M472 HydrophobicContact CG2-CE 3.7Å; I421-M472 HydrophobicContact CG2-CG 4.24Å; F423-M472 HydrophobicContact CD1-CB 4.03Å; F423-M472 HydrophobicContact CD1-CG 4.13Å; F423-M472 HydrophobicContact CE1-CB 3.7Å; F423-M472 HydrophobicContact CE1-CG 3.56Å; F423-M472 HydrophobicContact CE1-SD 3.78Å; F423-M472 HydrophobicContact CE2-CE 4.28Å; F423-M472 HydrophobicContact CE2-CG 4.19Å; F423-M472 HydrophobicContact CE2-SD 4.37Å; F423-M472 HydrophobicContact CZ-CB 4.27Å; F423-M472 HydrophobicContact CZ-CE 3.89Å; F423-M472 HydrophobicContact CZ-CG 3.61Å; F423-M472 HydrophobicContact CZ-SD 3.49Å; F423-M472 WeakPolarHBondContact CZ-SD 3.4Å; V464-M472 HydrophobicContact CB-CE 4.47Å; V464-M472 HydrophobicContact CB-CG 4.33Å; V464-M472 HydrophobicContact CB-SD 4.01Å; V464-M472 HydrophobicContact CG1-SD 4.16Å; V464-M472 HydrophobicContact CG2-CE 4.28Å; V464-M472 HydrophobicContact CG2-CG 4.48Å; V464-M472 HydrophobicContact CG2-SD 4.39Å; V464-M472 PolarHBondContact N-O 2.99Å; E465-M472 VanDerWaalsContact O-CB 3.27Å; E465-M472 WeakPolarHBondContact O-CB 3.43Å; M472-L552 HydrophobicContact CE-CB 4.31Å; M472-L552 HydrophobicContact CE-CD1 3.7Å; M472-L552 HydrophobicContact CE-CG 4.26Å; M472-V557 HydrophobicContact CE-CG1 3.9Å; M472-V557 HydrophobicContact CE-CG2 4.28Å |
| 473 | L | 92.2 | Very high | 81.8 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 144.4 | -179.1 | -65.4 | -179.5 | 0 | 0 | 0 | 111 | I421 C422 T456 V461 K463 Y471 I488 T491 I495 | I421-L473 CarbonylContact C-O 3.44Å; I421-L473 VanDerWaalsContact CA-O 3.32Å; I421-L473 WeakPolarHBondContact CA-O 3.33Å; C422-L473 HydrophobicContact CB-CB 4.22Å; C422-L473 PolarHBondContact N-O 3.37Å; C422-L473 PolarHBondContact O-N 3.14Å; T456-L473 HydrophobicContact CG2-CD1 4.33Å; T456-L473 HydrophobicContact CG2-CD2 3.38Å; T456-L473 HydrophobicContact CG2-CG 4.48Å; V461-L473 HydrophobicContact CG1-CB 3.76Å; V461-L473 HydrophobicContact CG1-CD1 4.26Å; V461-L473 HydrophobicContact CG1-CD2 3.95Å; V461-L473 HydrophobicContact CG1-CG 4.21Å; K463-L473 HydrophobicContact CB-CD2 4.5Å; Y471-L473 HydrophobicContact CD1-CD1 4.15Å; Y471-L473 HydrophobicContact CD1-CD2 3.91Å; Y471-L473 HydrophobicContact CD1-CG 3.84Å; Y471-L473 HydrophobicContact CE1-CD1 4.03Å; Y471-L473 HydrophobicContact CE1-CD2 3.33Å; Y471-L473 HydrophobicContact CE1-CG 3.76Å; L473-I488 HydrophobicContact CB-CD1 3.98Å; L473-T491 HydrophobicContact CD1-CG2 4.01Å; L473-I495 HydrophobicContact CD1-CD1 3.65Å |
| 474 | V | 91.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.6 | 174.2 | 64.3 | 0 | 0 | 0 | 0 | 110.7 | V419 T420 I421 Y462 V464 A477 L552 | V419-V474 HydrophobicContact CB-CG2 4.19Å; V419-V474 HydrophobicContact CG2-CG2 4.46Å; T420-V474 WeakPolarHBondContact O-CA 3.27Å; I421-V474 HydrophobicContact CG1-CB 4.29Å; I421-V474 HydrophobicContact CG1-CG2 3.94Å; Y462-V474 HydrophobicContact CD1-CG1 4.14Å; Y462-V474 PolarHBondContact N-O 3.23Å; Y462-V474 PolarHBondContact O-N 3.09Å; V464-V474 HydrophobicContact CG2-CB 4.16Å; V464-V474 HydrophobicContact CG2-CG1 3.54Å; V474-A477 HydrophobicContact CG2-CB 4.22Å; V474-L552 HydrophobicContact CB-CD1 3.81Å; V474-L552 HydrophobicContact CG1-CD1 3.95Å; V474-L552 HydrophobicContact CG2-CD1 3.83Å |
| 475 | S | 90.9 | Very high | 82.6 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 148.9 | 164 | -168.3 | 0 | 0 | 0 | 0 | 109.6 | V419 T420 K460 H484 | V419-S475 WeakPolarHBondContact CB-O 3.41Å; T420-S475 PolarHBondContact N-O 3.28Å; T420-S475 VanDerWaalsContact N-O 3.16Å; T420-S475 PolarHBondContact O-N 2.73Å; K460-S475 PolarHBondContact O-OG 2.91Å; S475-H484 WeakPolarHBondContact CB-O 3.24Å |
| 476 | G | 87.8 | Confident | 83.3 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 91.4 | -5.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F416 H479 K480 | F416-G476 WeakPolarHBondContact CD1-O 3.42Å; F416-G476 WeakPolarHBondContact CE1-O 3.41Å; G476-H479 CarbonylContact C-O 3.6Å; G476-H479 VanDerWaalsContact CA-O 3.24Å; G476-H479 WeakPolarHBondContact CA-O 3.45Å; G476-H479 CarbonylContact O-C 3.53Å; G476-H479 VanDerWaalsContact O-O 3.1Å; G476-K480 WeakPolarHBondContact O-CA 3.25Å |
| 477 | A | 86.1 | Confident | 84.5 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -143.7 | 143.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | F416 V419 V474 H479 I538 | F416-A477 HydrophobicContact CD1-CB 3.97Å; F416-A477 HydrophobicContact CD2-CB 3.92Å; F416-A477 HydrophobicContact CE1-CB 3.94Å; F416-A477 HydrophobicContact CE2-CB 3.89Å; F416-A477 HydrophobicContact CG-CB 3.98Å; F416-A477 HydrophobicContact CZ-CB 3.9Å; V419-A477 HydrophobicContact CG1-CB 4.15Å; V474-A477 HydrophobicContact CG2-CB 4.22Å; A477-H479 VanDerWaalsContact C-N 3.3Å; A477-H479 PolarHBondContact N-O 3.16Å; A477-I538 HydrophobicContact CB-CD1 4.15Å |
| 478 | P | 79 | Confident | 85.6 | Confident | 13 Ų | 13 | 25.9 Ų | 25.9 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | S | Bend | cis | -73.2 | -16 | -0.4 | 31.4 | -36.1 | 0 | 0 | 0 | 113.8 | P396 F416 | P396-P478 HydrophobicContact CB-CB 4.39Å; P396-P478 HydrophobicContact CB-CG 3.61Å; P396-P478 HydrophobicContact CG-CB 4.39Å; P396-P478 HydrophobicContact CG-CG 3.86Å; F416-P478 VanDerWaalsContact CE1-O 3.27Å; F416-P478 WeakPolarHBondContact CE1-O 3.13Å; F416-P478 WeakPolarHBondContact CZ-O 3.12Å |
| 479 | H | 82.8 | Confident | 86.6 | Confident | 57 Ų | 57 | 19.5 Ų | 19.5 | 26% | 0.264 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -94.2 | 125.7 | 176.9 | -62.7 | -88.7 | 0 | 0 | 0 | 110.2 | T398 G476 A477 T481 D640 | T398-H479 WeakPolarHBondContact CG2-CE1 3.35Å; G476-H479 CarbonylContact C-O 3.6Å; G476-H479 VanDerWaalsContact CA-O 3.24Å; G476-H479 WeakPolarHBondContact CA-O 3.45Å; G476-H479 CarbonylContact O-C 3.53Å; G476-H479 VanDerWaalsContact O-O 3.1Å; A477-H479 VanDerWaalsContact C-N 3.3Å; A477-H479 PolarHBondContact N-O 3.16Å; H479-T481 WeakPolarHBondContact O-CG2 3.06Å; H479-T481 PolarHBondContact O-N 3.5Å; H479-D640 IonicContact CD2-OD2 2.8Å; H479-D640 IonicContact CE1-OD2 3.69Å; H479-D640 IonicContact CG-OD2 3.33Å; H479-D640 IonicContact ND1-OD2 3.73Å; H479-D640 PolarHBondContact ND1-OD2 2.86Å |
| 480 | K | 82.4 | Confident | 87 | Confident | 141 Ų | 141 | 20.1 Ų | 20.1 | 61% | 0.613 | 11% | 0.107 | S | C | * | . | trans | -71.8 | 120.9 | 177.8 | -68.6 | -174.3 | 178.6 | -168.5 | 0 | 109.4 | F416 G476 | F416-K480 HydrophobicContact CD1-CD 4.37Å; F416-K480 HydrophobicContact CD1-CG 3.7Å; F416-K480 HydrophobicContact CE1-CG 3.79Å; G476-K480 WeakPolarHBondContact O-CA 3.25Å | ||
| 481 | T | 83 | Confident | 87.3 | Confident | 14 Ų | 14 | 19.4 Ų | 19.4 | 9% | 0.086 | 10% | 0.102 | C | C | . | . | trans | -127.2 | 135.6 | 175.6 | 90.9 | 0 | 0 | 0 | 0 | 108.6 | H479 L483 H484 | H479-T481 WeakPolarHBondContact O-CG2 3.06Å; H479-T481 PolarHBondContact O-N 3.5Å; T481-L483 PolarHBondContact O-N 3.01Å; T481-H484 PolarHBondContact O-CD2 3.29Å; T481-H484 VanDerWaalsContact O-CD2 3.26Å; T481-H484 WeakPolarHBondContact OG1-CA 3.27Å; T481-H484 PolarHBondContact OG1-N 3.26Å; T481-H484 VanDerWaalsContact OG1-N 3.14Å | ||
| 482 | P | 80 | Confident | 87.4 | Confident | 100 Ų | 100 | 19.4 Ų | 19.4 | 65% | 0.649 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -18.2 | 173.9 | 29.9 | -33.5 | 0 | 0 | 0 | 112.2 | H484 Y585 | P482-H484 VanDerWaalsContact C-N 3.28Å; P482-H484 PolarHBondContact O-N 3.11Å; P482-Y585 PolarHBondContact O-OH 2.86Å |
| 483 | L | 84.3 | Confident | 87.3 | Confident | 19 Ų | 19 | 20.6 Ų | 20.6 | 10% | 0.099 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 17.4 | 178.9 | -58 | -179.3 | 0 | 0 | 0 | 112.4 | T481 A485 A486 H487 Y585 V631 L632 D635 | T481-L483 PolarHBondContact O-N 3.01Å; L483-A485 VanDerWaalsContact C-N 3.3Å; L483-A485 PolarHBondContact O-N 2.71Å; L483-A486 PolarHBondContact O-N 3.01Å; L483-H487 PolarHBondContact O-CD2 2.92Å; L483-H487 PolarHBondContact O-N 3.4Å; L483-Y585 HydrophobicContact CD2-CE1 3.68Å; L483-Y585 WeakPolarHBondContact CD2-OH 3.42Å; L483-V631 HydrophobicContact CD1-CG1 4.19Å; L483-L632 HydrophobicContact CB-CD2 4.49Å; L483-L632 HydrophobicContact CD1-CD2 4.21Å; L483-D635 HydrophobicContact CD1-CB 3.8Å |
| 484 | H | 88 | Confident | 87.1 | Confident | 8 Ų | 8 | 23.3 Ų | 23.3 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54.3 | -42.1 | -172.5 | 61.5 | 80.2 | 0 | 0 | 0 | 113.5 | T420 S475 T481 P482 I488 | T420-H484 PolarHBondContact OG1-CE1 3.25Å; T420-H484 PolarHBondContact OG1-ND1 3.49Å; S475-H484 WeakPolarHBondContact CB-O 3.24Å; T481-H484 PolarHBondContact O-CD2 3.29Å; T481-H484 VanDerWaalsContact O-CD2 3.26Å; T481-H484 WeakPolarHBondContact OG1-CA 3.27Å; T481-H484 PolarHBondContact OG1-N 3.26Å; T481-H484 VanDerWaalsContact OG1-N 3.14Å; P482-H484 VanDerWaalsContact C-N 3.28Å; P482-H484 PolarHBondContact O-N 3.11Å; H484-I488 WeakPolarHBondContact O-CG1 3.44Å; H484-I488 PolarHBondContact O-N 3.38Å |
| 485 | A | 88.6 | Confident | 87 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69 | -39 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T420 L483 I489 L582 | T420-A485 WeakPolarHBondContact OG1-CA 3.34Å; L483-A485 VanDerWaalsContact C-N 3.3Å; L483-A485 PolarHBondContact O-N 2.71Å; A485-I489 VanDerWaalsContact O-CG1 3.26Å; A485-I489 WeakPolarHBondContact O-CG1 3.32Å; A485-I489 PolarHBondContact O-N 3.47Å; A485-I489 VanDerWaalsContact O-N 3.09Å; A485-L582 HydrophobicContact CB-CD2 4.01Å; A485-L582 HydrophobicContact CB-CG 4.07Å |
| 486 | A | 87.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.1 | -46.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L483 I488 I489 D490 Y585 Y587 F628 L632 | L483-A486 PolarHBondContact O-N 3.01Å; A486-I488 VanDerWaalsContact C-N 3.31Å; A486-I488 PolarHBondContact O-N 3.27Å; A486-I489 PolarHBondContact O-N 3.42Å; A486-D490 PolarHBondContact O-N 3.19Å; A486-Y585 HydrophobicContact CB-CD2 4.11Å; A486-Y585 HydrophobicContact CB-CE2 4.23Å; A486-Y585 HydrophobicContact CB-CG 4.44Å; A486-Y587 HydrophobicContact CB-CE2 4.15Å; A486-Y587 PolarHBondContact O-OH 2.94Å; A486-F628 HydrophobicContact CB-CE1 4.26Å; A486-F628 HydrophobicContact CB-CZ 3.65Å; A486-L632 HydrophobicContact CB-CD2 4.12Å |
| 487 | H | 89.1 | Confident | 86.9 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.2 | -44.9 | 177.2 | -75.7 | -62.2 | 0 | 0 | 0 | 111.4 | V461 L483 D490 T491 D635 | V461-H487 HydrophobicContact CG2-CB 4.05Å; L483-H487 PolarHBondContact O-CD2 2.92Å; L483-H487 PolarHBondContact O-N 3.4Å; H487-D490 PolarHBondContact O-N 2.97Å; H487-T491 WeakPolarHBondContact O-CB 3.3Å; H487-T491 PolarHBondContact O-N 2.89Å; H487-T491 PolarHBondContact O-OG1 2.86Å; H487-D635 IonicContact CD2-OD2 3.67Å; H487-D635 IonicContact CE1-OD2 3.67Å; H487-D635 IonicContact NE2-OD2 2.66Å; H487-D635 PolarHBondContact NE2-OD2 3.33Å |
| 488 | I | 91.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 179.1 | -74.6 | -71.4 | 0 | 0 | 0 | 112.7 | T420 C422 V461 L473 H484 A486 A492 C533 | T420-I488 HydrophobicContact CG2-CB 3.94Å; T420-I488 HydrophobicContact CG2-CG1 4.16Å; T420-I488 HydrophobicContact CG2-CG2 3.74Å; C422-I488 HydrophobicContact CB-CD1 4.26Å; C422-I488 HydrophobicContact CB-CG2 3.5Å; C422-I488 VanDerWaalsContact CB-CG2 3.5Å; V461-I488 HydrophobicContact CG1-CD1 3.69Å; V461-I488 HydrophobicContact CG2-CD1 4.11Å; L473-I488 HydrophobicContact CB-CD1 3.98Å; H484-I488 WeakPolarHBondContact O-CG1 3.44Å; H484-I488 PolarHBondContact O-N 3.38Å; A486-I488 VanDerWaalsContact C-N 3.31Å; A486-I488 PolarHBondContact O-N 3.27Å; I488-A492 WeakPolarHBondContact O-CB 3.4Å; I488-A492 PolarHBondContact O-N 3.1Å; I488-C533 HydrophobicContact CG2-CB 4.37Å |
| 489 | I | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.4 | -38.8 | -179.3 | -65.2 | -59.8 | 0 | 0 | 0 | 111.3 | A485 A486 A492 L493 C533 V572 I574 L582 Y587 V608 | A485-I489 VanDerWaalsContact O-CG1 3.26Å; A485-I489 WeakPolarHBondContact O-CG1 3.32Å; A485-I489 PolarHBondContact O-N 3.47Å; A485-I489 VanDerWaalsContact O-N 3.09Å; A486-I489 PolarHBondContact O-N 3.42Å; I489-A492 PolarHBondContact O-N 3.18Å; I489-L493 HydrophobicContact CG2-CD1 4.16Å; I489-L493 HydrophobicContact CG2-CG 4.42Å; I489-L493 VanDerWaalsContact O-CG 3.32Å; I489-L493 WeakPolarHBondContact O-CG 3.38Å; I489-L493 PolarHBondContact O-N 2.82Å; I489-C533 HydrophobicContact CD1-CB 4.29Å; I489-V572 HydrophobicContact CD1-CG1 3.7Å; I489-I574 HydrophobicContact CD1-CG2 3.81Å; I489-L582 HydrophobicContact CB-CD2 4.31Å; I489-L582 HydrophobicContact CD1-CD1 4.18Å; I489-L582 HydrophobicContact CG1-CD1 3.73Å; I489-L582 HydrophobicContact CG1-CD2 3.77Å; I489-L582 HydrophobicContact CG1-CG 4.36Å; I489-Y587 HydrophobicContact CB-CE1 4.42Å; I489-Y587 HydrophobicContact CG2-CD1 3.79Å; I489-Y587 HydrophobicContact CG2-CE1 3.68Å; I489-Y587 HydrophobicContact CG2-CG 4.31Å; I489-V608 HydrophobicContact CD1-CG2 4.31Å; I489-V608 HydrophobicContact CG2-CG1 4.06Å |
| 490 | D | 88.4 | Confident | 87.4 | Confident | 25 Ų | 25 | 30.2 Ų | 30.2 | 13% | 0.134 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -50.3 | 175.5 | -139.6 | 33.5 | 0 | 0 | 0 | 110 | H459 A486 H487 A492 L493 E494 R611 | H459-D490 IonicContact NE2-OD2 2.73Å; A486-D490 PolarHBondContact O-N 3.19Å; H487-D490 PolarHBondContact O-N 2.97Å; D490-A492 VanDerWaalsContact C-N 3.29Å; D490-A492 PolarHBondContact O-N 3.21Å; D490-L493 PolarHBondContact O-N 3.07Å; D490-E494 WeakPolarHBondContact O-CG 3.38Å; D490-E494 PolarHBondContact O-N 2.78Å; D490-R611 IonicContact OD1-NH1 3.18Å |
| 491 | T | 89.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.7 | -38 | 174.7 | -52.7 | 0 | 0 | 0 | 0 | 112.2 | H459 L473 H487 I495 | H459-T491 VanDerWaalsContact CB-OG1 3.31Å; H459-T491 WeakPolarHBondContact CB-OG1 3.38Å; H459-T491 PolarHBondContact CD2-OG1 2.93Å; L473-T491 HydrophobicContact CD1-CG2 4.01Å; H487-T491 WeakPolarHBondContact O-CB 3.3Å; H487-T491 PolarHBondContact O-N 2.89Å; H487-T491 PolarHBondContact O-OG1 2.86Å; T491-I495 HydrophobicContact CG2-CD1 3.9Å; T491-I495 HydrophobicContact CG2-CG1 4.38Å; T491-I495 WeakPolarHBondContact O-CB 3.36Å; T491-I495 WeakPolarHBondContact O-CD1 3.47Å; T491-I495 WeakPolarHBondContact O-CG1 3.41Å; T491-I495 PolarHBondContact O-N 2.62Å |
| 492 | A | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I488 I489 D490 I496 I531 V572 | I488-A492 WeakPolarHBondContact O-CB 3.4Å; I488-A492 PolarHBondContact O-N 3.1Å; I489-A492 PolarHBondContact O-N 3.18Å; D490-A492 VanDerWaalsContact C-N 3.29Å; D490-A492 PolarHBondContact O-N 3.21Å; A492-I496 WeakPolarHBondContact O-CG1 3.21Å; A492-I496 PolarHBondContact O-N 3.4Å; A492-I531 HydrophobicContact CB-CD1 4.48Å; A492-I531 HydrophobicContact CB-CG2 4.06Å; A492-V572 HydrophobicContact CB-CG1 4.24Å; A492-V572 HydrophobicContact CB-CG2 3.95Å |
| 493 | L | 89.2 | Confident | 87.4 | Confident | 41 Ų | 41 | 25.3 Ų | 25.3 | 22% | 0.215 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.2 | -44.4 | 175.8 | -69.9 | 172.9 | 0 | 0 | 0 | 110.9 | I489 D490 I495 I496 E497 V572 Y587 | I489-L493 HydrophobicContact CG2-CD1 4.16Å; I489-L493 HydrophobicContact CG2-CG 4.42Å; I489-L493 VanDerWaalsContact O-CG 3.32Å; I489-L493 WeakPolarHBondContact O-CG 3.38Å; I489-L493 PolarHBondContact O-N 2.82Å; D490-L493 PolarHBondContact O-N 3.07Å; L493-I495 VanDerWaalsContact C-N 3.34Å; L493-I495 PolarHBondContact O-N 3.18Å; L493-I496 PolarHBondContact O-N 3.41Å; L493-E497 PolarHBondContact O-N 3.36Å; L493-V572 HydrophobicContact CD2-CG2 4.1Å; L493-Y587 HydrophobicContact CD1-CE1 4.28Å |
| 494 | E | 88.3 | Confident | 87.2 | Confident | 58 Ų | 58 | 27.9 Ų | 27.9 | 27% | 0.271 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.1 | -39 | 175.7 | -71.5 | -171.1 | -173.5 | 0 | 0 | 112.4 | L455 H459 D490 I496 E497 V498 | L455-E494 HydrophobicContact CD1-CB 4.35Å; L455-E494 HydrophobicContact CD2-CB 4.45Å; L455-E494 WeakPolarHBondContact CD2-OE2 3.39Å; H459-E494 VanDerWaalsContact CE1-CD 3.49Å; H459-E494 IonicContact CE1-OE1 3.19Å; H459-E494 IonicContact CE1-OE2 3.5Å; H459-E494 PolarHBondContact CE1-OE2 3.39Å; H459-E494 IonicContact NE2-OE1 2.99Å; H459-E494 IonicContact NE2-OE2 3.61Å; D490-E494 WeakPolarHBondContact O-CG 3.38Å; D490-E494 PolarHBondContact O-N 2.78Å; E494-I496 VanDerWaalsContact C-N 3.3Å; E494-I496 PolarHBondContact O-N 3.04Å; E494-E497 PolarHBondContact O-N 3.3Å; E494-V498 WeakPolarHBondContact O-CB 3.48Å; E494-V498 WeakPolarHBondContact O-CG2 3.46Å; E494-V498 PolarHBondContact O-N 3.47Å |
| 495 | I | 90 | Very high | 86.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 174.4 | -78.1 | 168.2 | 0 | 0 | 0 | 110.8 | T424 Y452 L455 L473 T491 L493 T499 L529 I531 | T424-I495 HydrophobicContact CG2-CD1 4.49Å; T424-I495 HydrophobicContact CG2-CG2 4.39Å; Y452-I495 HydrophobicContact CD1-CG1 3.97Å; Y452-I495 HydrophobicContact CD1-CG2 4.16Å; Y452-I495 HydrophobicContact CE1-CB 4.44Å; Y452-I495 HydrophobicContact CE1-CG1 4.35Å; Y452-I495 HydrophobicContact CE1-CG2 3.71Å; Y452-I495 HydrophobicContact CE2-CG2 4.42Å; Y452-I495 HydrophobicContact CG-CG1 4.4Å; L455-I495 HydrophobicContact CD1-CB 4.48Å; L455-I495 HydrophobicContact CD1-CG1 3.7Å; L473-I495 HydrophobicContact CD1-CD1 3.65Å; T491-I495 HydrophobicContact CG2-CD1 3.9Å; T491-I495 HydrophobicContact CG2-CG1 4.38Å; T491-I495 WeakPolarHBondContact O-CB 3.36Å; T491-I495 WeakPolarHBondContact O-CD1 3.47Å; T491-I495 WeakPolarHBondContact O-CG1 3.41Å; T491-I495 PolarHBondContact O-N 2.62Å; L493-I495 VanDerWaalsContact C-N 3.34Å; L493-I495 PolarHBondContact O-N 3.18Å; I495-T499 WeakPolarHBondContact O-CB 3.45Å; I495-T499 PolarHBondContact O-N 3Å; I495-T499 PolarHBondContact O-OG1 3.39Å; I495-L529 HydrophobicContact CG2-CD1 3.64Å; I495-I531 HydrophobicContact CG2-CD1 4.15Å |
| 496 | I | 88.9 | Confident | 86.2 | Confident | 16 Ų | 16 | 28.2 Ų | 28.2 | 8% | 0.082 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.2 | -49 | 177.1 | -66.8 | 166 | 0 | 0 | 0 | 109.9 | A492 L493 E494 T499 L500 I531 D570 V572 | A492-I496 WeakPolarHBondContact O-CG1 3.21Å; A492-I496 PolarHBondContact O-N 3.4Å; L493-I496 PolarHBondContact O-N 3.41Å; E494-I496 VanDerWaalsContact C-N 3.3Å; E494-I496 PolarHBondContact O-N 3.04Å; I496-T499 PolarHBondContact O-N 3.32Å; I496-L500 HydrophobicContact CG2-CD1 3.77Å; I496-L500 HydrophobicContact CG2-CG 4.37Å; I496-L500 WeakPolarHBondContact O-CB 3.15Å; I496-L500 WeakPolarHBondContact O-CG 3.39Å; I496-L500 PolarHBondContact O-N 3.41Å; I496-I531 HydrophobicContact CD1-CD1 3.76Å; I496-I531 HydrophobicContact CD1-CG1 4.46Å; I496-I531 HydrophobicContact CG1-CD1 3.42Å; I496-I531 VanDerWaalsContact CG1-CD1 3.42Å; I496-I531 HydrophobicContact CG1-CG1 4.34Å; I496-D570 HydrophobicContact CG2-CB 4.05Å; I496-V572 HydrophobicContact CD1-CG2 3.62Å |
| 497 | E | 86.6 | Confident | 85.3 | Confident | 119 Ų | 119 | 30.8 Ų | 30.8 | 56% | 0.556 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -59.6 | -51.5 | -178.7 | -175.8 | 176 | -176.2 | 0 | 0 | 112 | L493 E494 T499 L500 L501 | L493-E497 PolarHBondContact O-N 3.36Å; E494-E497 PolarHBondContact O-N 3.3Å; E497-T499 VanDerWaalsContact C-N 3.3Å; E497-T499 PolarHBondContact O-N 3.4Å; E497-L500 PolarHBondContact O-N 3.05Å; E497-L501 HydrophobicContact CG-CD1 3.87Å; E497-L501 WeakPolarHBondContact O-CB 3.43Å; E497-L501 VanDerWaalsContact O-CG 3.31Å; E497-L501 WeakPolarHBondContact O-CG 3.38Å; E497-L501 PolarHBondContact O-N 2.72Å |
| 498 | V | 86.7 | Confident | 84 | Confident | 34 Ų | 34 | 32.7 Ų | 32.7 | 21% | 0.206 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 180 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | L451 L455 E494 L501 S502 | L451-V498 HydrophobicContact CB-CG1 4.36Å; L451-V498 HydrophobicContact CD1-CG1 4.23Å; L451-V498 HydrophobicContact CD2-CG1 4.17Å; L455-V498 HydrophobicContact CD1-CB 4.33Å; L455-V498 HydrophobicContact CD1-CG2 4.15Å; L455-V498 HydrophobicContact CD2-CG2 4.35Å; E494-V498 WeakPolarHBondContact O-CB 3.48Å; E494-V498 WeakPolarHBondContact O-CG2 3.46Å; E494-V498 PolarHBondContact O-N 3.47Å; V498-L501 PolarHBondContact O-N 3Å; V498-S502 WeakPolarHBondContact O-CB 3.32Å; V498-S502 PolarHBondContact O-N 2.81Å; V498-S502 PolarHBondContact O-OG 3.35Å |
| 499 | T | 86.7 | Confident | 82.3 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -46.5 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | Y452 I495 I496 E497 L501 L503 L527 L529 | Y452-T499 WeakPolarHBondContact CE1-OG1 3.5Å; Y452-T499 PolarHBondContact OH-OG1 3.05Å; I495-T499 WeakPolarHBondContact O-CB 3.45Å; I495-T499 PolarHBondContact O-N 3Å; I495-T499 PolarHBondContact O-OG1 3.39Å; I496-T499 PolarHBondContact O-N 3.32Å; E497-T499 VanDerWaalsContact C-N 3.3Å; E497-T499 PolarHBondContact O-N 3.4Å; T499-L501 VanDerWaalsContact C-N 3.3Å; T499-L501 PolarHBondContact O-N 3.22Å; T499-L503 HydrophobicContact CG2-CB 4.17Å; T499-L503 HydrophobicContact CG2-CD1 3.96Å; T499-L503 WeakPolarHBondContact O-CB 3.45Å; T499-L503 PolarHBondContact O-N 2.95Å; T499-L527 HydrophobicContact CG2-CB 4Å; T499-L527 HydrophobicContact CG2-CD2 3.42Å; T499-L527 VanDerWaalsContact CG2-CD2 3.42Å; T499-L527 HydrophobicContact CG2-CG 4.34Å; T499-L527 WeakPolarHBondContact CG2-O 3.43Å; T499-L529 HydrophobicContact CG2-CD1 3.92Å; T499-L529 HydrophobicContact CG2-CG 4.03Å; T499-L529 WeakPolarHBondContact OG1-CD1 3.34Å |
| 500 | L | 84.8 | Confident | 80.6 | Confident | 52 Ų | 52 | 44.9 Ų | 44.9 | 27% | 0.272 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.3 | -31.4 | 179.2 | -70.7 | 173.6 | 0 | 0 | 0 | 112.8 | I496 E497 N526 | I496-L500 HydrophobicContact CG2-CD1 3.77Å; I496-L500 HydrophobicContact CG2-CG 4.37Å; I496-L500 WeakPolarHBondContact O-CB 3.15Å; I496-L500 WeakPolarHBondContact O-CG 3.39Å; I496-L500 PolarHBondContact O-N 3.41Å; E497-L500 PolarHBondContact O-N 3.05Å; L500-N526 HydrophobicContact CD2-CB 4.24Å; L500-N526 PolarHBondContact O-ND2 2.92Å |
| 501 | L | 82.3 | Confident | 78.7 | Confident | 110 Ų | 110 | 48.5 Ų | 48.5 | 58% | 0.576 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -82.2 | -37.4 | 179.6 | -69.8 | 170.3 | 0 | 0 | 0 | 113.1 | E497 V498 T499 Y504 | E497-L501 HydrophobicContact CG-CD1 3.87Å; E497-L501 WeakPolarHBondContact O-CB 3.43Å; E497-L501 VanDerWaalsContact O-CG 3.31Å; E497-L501 WeakPolarHBondContact O-CG 3.38Å; E497-L501 PolarHBondContact O-N 2.72Å; V498-L501 PolarHBondContact O-N 3Å; T499-L501 VanDerWaalsContact C-N 3.3Å; T499-L501 PolarHBondContact O-N 3.22Å; L501-Y504 WeakPolarHBondContact O-CE2 3.47Å; L501-Y504 PolarHBondContact O-OH 2.83Å |
| 502 | S | 79.9 | Confident | 76.9 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -117.4 | -11.3 | -162.5 | -54.5 | 0 | 0 | 0 | 0 | 115.2 | R447 V498 | R447-S502 PolarHBondContact NE-O 3.4Å; R447-S502 PolarHBondContact NH2-O 3.16Å; V498-S502 WeakPolarHBondContact O-CB 3.32Å; V498-S502 PolarHBondContact O-N 2.81Å; V498-S502 PolarHBondContact O-OG 3.35Å |
| 503 | L | 83.1 | Confident | 74.8 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | trans | -120.3 | 121.1 | -175.4 | -66.9 | 170.7 | 0 | 0 | 0 | 112 | L444 R447 M448 L451 T499 L527 | L444-L503 HydrophobicContact CD1-CD2 4.27Å; R447-L503 HydrophobicContact CB-CD2 4.45Å; R447-L503 HydrophobicContact CG-CD2 3.88Å; M448-L503 HydrophobicContact CB-CD1 4.05Å; M448-L503 HydrophobicContact CG-CD1 3.9Å; L451-L503 HydrophobicContact CD1-CD1 4.09Å; L451-L503 HydrophobicContact CD1-CD2 3.91Å; L451-L503 HydrophobicContact CD1-CG 3.91Å; T499-L503 HydrophobicContact CG2-CB 4.17Å; T499-L503 HydrophobicContact CG2-CD1 3.96Å; T499-L503 WeakPolarHBondContact O-CB 3.45Å; T499-L503 PolarHBondContact O-N 2.95Å; L503-L527 HydrophobicContact CB-CB 4.08Å; L503-L527 PolarHBondContact O-N 3.33Å | ||
| 504 | Y | 81.8 | Confident | 73.1 | Confident | 73 Ų | 73 | 58.7 Ų | 58.7 | 29% | 0.286 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 150.7 | -178 | -57.5 | -88.5 | 0 | 0 | 0 | 109.6 | L501 Y522 E525 N526 | L501-Y504 WeakPolarHBondContact O-CE2 3.47Å; L501-Y504 PolarHBondContact O-OH 2.83Å; Y504-Y522 WeakPolarHBondContact O-CD1 3.33Å; Y504-E525 WeakPolarHBondContact CA-O 3.34Å; Y504-N526 WeakPolarHBondContact CD1-OD1 3.37Å; Y504-N526 WeakPolarHBondContact CE1-OD1 3.38Å |
| 505 | W | 80.8 | Confident | 71 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 136.8 | 175 | -71.3 | 99.3 | 0 | 0 | 0 | 110.8 | V426 F429 K432 I436 L444 Y522 T523 E525 L527 | V426-W505 HydrophobicContact CG1-CH2 3.75Å; V426-W505 HydrophobicContact CG1-CZ2 3.58Å; F429-W505 AromaticContact CD2-CH2 3.99Å; F429-W505 HydrophobicContact CD2-CH2 3.99Å; K432-W505 HydrophobicContact CB-CD2 4.32Å; K432-W505 HydrophobicContact CB-CE3 3.86Å; K432-W505 HydrophobicContact CB-CH2 3.55Å; K432-W505 HydrophobicContact CB-CZ2 4.03Å; K432-W505 HydrophobicContact CB-CZ3 3.46Å; K432-W505 VanDerWaalsContact CB-CZ3 3.46Å; K432-W505 HydrophobicContact CD-CD2 4.23Å; K432-W505 HydrophobicContact CG-CD2 4.18Å; K432-W505 HydrophobicContact CG-CE3 4.24Å; K432-W505 HydrophobicContact CG-CH2 3.87Å; K432-W505 HydrophobicContact CG-CZ2 3.79Å; K432-W505 HydrophobicContact CG-CZ3 4.1Å; I436-W505 HydrophobicContact CD1-CE3 3.49Å; I436-W505 VanDerWaalsContact CD1-CE3 3.49Å; I436-W505 HydrophobicContact CD1-CZ3 3.9Å; L444-W505 HydrophobicContact CD2-CE3 3.87Å; L444-W505 HydrophobicContact CD2-CZ3 3.82Å; W505-Y522 CarbonylContact O-C 3.53Å; W505-Y522 WeakPolarHBondContact O-CA 3.46Å; W505-T523 PolarHBondContact O-N 3.47Å; W505-T523 PolarHBondContact O-OG1 2.93Å; W505-E525 PolarHBondContact N-O 3.25Å; W505-L527 HydrophobicContact CH2-CD1 4.26Å; W505-L527 HydrophobicContact CZ2-CD1 3.97Å; W505-L527 HydrophobicContact CZ2-CG 4.38Å |
| 506 | P | 74.6 | Confident | 69 | Low | 6 Ų | 6 | 68.3 Ų | 68.3 | 4% | 0.039 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 146.6 | 172.3 | 27.7 | -34.5 | 0 | 0 | 0 | 111.1 | I436 Q440 T520 | I436-P506 HydrophobicContact CB-CG 4.49Å; I436-P506 HydrophobicContact CD1-CG 3.9Å; I436-P506 HydrophobicContact CG1-CG 4.16Å; I436-P506 HydrophobicContact CG2-CB 4.43Å; I436-P506 HydrophobicContact CG2-CG 3.47Å; I436-P506 VanDerWaalsContact CG2-CG 3.47Å; Q440-P506 HydrophobicContact CB-CB 4.19Å; Q440-P506 HydrophobicContact CB-CG 4.06Å; Q440-P506 HydrophobicContact CG-CB 4.33Å; P506-T520 HydrophobicContact CB-CG2 4.43Å |
| 507 | E | 67.5 | Low | 67.2 | Low | 54 Ų | 54 | 75.7 Ų | 75.7 | 25% | 0.252 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 142.2 | 177.9 | -162.1 | 177.9 | -175.2 | 0 | 0 | 111.3 | N511 V521 T523 | E507-N511 PolarHBondContact OE1-ND2 2.84Å; E507-V521 HydrophobicContact CB-CB 4.37Å; E507-V521 HydrophobicContact CB-CG1 4.5Å; E507-V521 WeakPolarHBondContact CB-O 3.33Å; E507-V521 PolarHBondContact N-O 3.27Å; E507-V521 VanDerWaalsContact OE2-CG1 3.26Å; E507-V521 WeakPolarHBondContact OE2-CG1 3.34Å; E507-T523 HydrophobicContact CB-CG2 3.97Å; E507-T523 HydrophobicContact CG-CG2 4.16Å |
| 508 | S | 61.8 | Low | 65.4 | Low | 43 Ų | 43 | 78.1 Ų | 78.1 | 30% | 0.301 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 137.2 | 179.1 | 53.1 | 0 | 0 | 0 | 0 | 111.4 | E510 N511 | S508-E510 PolarHBondContact O-N 3.14Å; S508-N511 PolarHBondContact O-N 2.84Å |
| 509 | S | 57.1 | Low | 63.6 | Low | 77 Ų | 77 | 83.9 Ų | 83.9 | 54% | 0.538 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -54.7 | -18.2 | -176 | 64.5 | 0 | 0 | 0 | 0 | 115.9 | N511 I512 | S509-N511 VanDerWaalsContact C-N 3.29Å; S509-N511 PolarHBondContact O-N 2.82Å; S509-I512 PolarHBondContact O-N 3.43Å |
| 510 | E | 52.8 | Low | 62 | Low | 180 Ų | 180 | 85.8 Ų | 85.8 | 84% | 0.841 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -68.1 | -22.4 | -178.6 | -63.7 | -176.2 | 176.2 | 0 | 0 | 113.8 | S508 | S508-E510 PolarHBondContact O-N 3.14Š|
| 511 | N | 49.7 | Very low | 60.6 | Low | 102 Ų | 102 | 86.4 Ų | 86.4 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -98.4 | -1.8 | -178.1 | -71.7 | -12.2 | 0 | 0 | 0 | 114.5 | E507 S508 S509 T513 | E507-N511 PolarHBondContact OE1-ND2 2.84Å; S508-N511 PolarHBondContact O-N 2.84Å; S509-N511 VanDerWaalsContact C-N 3.29Å; S509-N511 PolarHBondContact O-N 2.82Å; N511-T513 PolarHBondContact O-N 3.38Å |
| 512 | I | 50.8 | Low | 59.6 | Low | 61 Ų | 61 | 84.7 Ų | 84.7 | 31% | 0.313 | 45% | 0.449 | S | S | . | . | trans | -79.6 | 100 | -174.2 | -56.5 | 178 | 0 | 0 | 0 | 109.7 | S509 A514 | S509-I512 PolarHBondContact O-N 3.43Å; I512-A514 PolarHBondContact O-N 3.46Å | ||
| 513 | T | 47.5 | Very low | 58.6 | Low | 121 Ų | 121 | 84.4 Ų | 84.4 | 74% | 0.742 | 45% | 0.446 | S | S | * | . | trans | -59.9 | 133.9 | 172.4 | -52.9 | 0 | 0 | 0 | 0 | 109.6 | N511 N515 N516 | N511-T513 PolarHBondContact O-N 3.38Å; T513-N515 PolarHBondContact O-N 3.31Å; T513-N516 PolarHBondContact O-N 3.41Å | ||
| 514 | A | 52.9 | Low | 57.7 | Low | 72 Ų | 72 | 92.2 Ų | 92.2 | 60% | 0.595 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -6.7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | I512 | I512-A514 PolarHBondContact O-N 3.46Š|
| 515 | N | 45.3 | Very low | 57.3 | Low | 156 Ų | 156 | 93.5 Ų | 93.5 | 83% | 0.834 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -1.3 | -176.7 | -82 | -4.9 | 0 | 0 | 0 | 115.9 | T513 | T513-N515 PolarHBondContact O-N 3.31Š|
| 516 | N | 47.5 | Very low | 57.2 | Low | 104 Ų | 104 | 95.3 Ų | 95.3 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | trans | -128.7 | 45 | 179.9 | -91.5 | -17.6 | 0 | 0 | 0 | 113.9 | T513 N518 K519 | T513-N516 PolarHBondContact O-N 3.41Å; N516-N518 PolarHBondContact O-N 2.97Å; N516-K519 PolarHBondContact O-N 3.12Å | ||
| 517 | K | 50.5 | Low | 57.7 | Low | 172 Ų | 172 | 95.1 Ų | 95.1 | 75% | 0.748 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -12.7 | -177.5 | -68.2 | -175.4 | 179 | -178.5 | 0 | 115.9 | ||
| 518 | N | 49.4 | Very low | 58.8 | Low | 169 Ų | 169 | 96.4 Ų | 96.4 | 90% | 0.904 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | 9.9 | -176.3 | -69.8 | 9.1 | 0 | 0 | 0 | 114.2 | N516 | N516-N518 PolarHBondContact O-N 2.97Š|
| 519 | K | 49.4 | Very low | 60.2 | Low | 156 Ų | 156 | 94.4 Ų | 94.4 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -124.1 | 110 | 178.8 | -145.4 | 173.2 | -173.7 | 179 | 0 | 109.4 | N516 V521 | N516-K519 PolarHBondContact O-N 3.12Å; K519-V521 PolarHBondContact O-N 3.3Å; K519-V521 VanDerWaalsContact O-N 3.09Å |
| 520 | T | 52.3 | Low | 61.9 | Low | 40 Ų | 40 | 93.7 Ų | 93.7 | 25% | 0.245 | 48% | 0.483 | C | S | . | . | trans | -60.4 | 109.1 | 172.3 | -14.4 | 0 | 0 | 0 | 0 | 107.6 | Q440 E443 P506 | Q440-T520 HydrophobicContact CG-CG2 3.94Å; E443-T520 PolarHBondContact OE2-OG1 2.94Å; P506-T520 HydrophobicContact CB-CG2 4.43Å | ||
| 521 | V | 55.9 | Low | 63.8 | Low | 65 Ų | 65 | 85.1 Ų | 85.1 | 39% | 0.394 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 123.1 | 172 | -174.5 | 0 | 0 | 0 | 0 | 106.4 | E507 K519 | E507-V521 HydrophobicContact CB-CB 4.37Å; E507-V521 HydrophobicContact CB-CG1 4.5Å; E507-V521 WeakPolarHBondContact CB-O 3.33Å; E507-V521 PolarHBondContact N-O 3.27Å; E507-V521 VanDerWaalsContact OE2-CG1 3.26Å; E507-V521 WeakPolarHBondContact OE2-CG1 3.34Å; K519-V521 PolarHBondContact O-N 3.3Å; K519-V521 VanDerWaalsContact O-N 3.09Å |
| 522 | Y | 60.4 | Low | 65.9 | Low | 74 Ų | 74 | 80.3 Ų | 80.3 | 29% | 0.29 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 142.3 | 175.7 | -62.7 | -79.8 | 0 | 0 | 0 | 109.4 | Y504 W505 | Y504-Y522 WeakPolarHBondContact O-CD1 3.33Å; W505-Y522 CarbonylContact O-C 3.53Å; W505-Y522 WeakPolarHBondContact O-CA 3.46Å |
| 523 | T | 59.8 | Low | 68 | Low | 36 Ų | 36 | 77.4 Ų | 77.4 | 22% | 0.221 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 160.6 | 168.7 | 68.6 | 0 | 0 | 0 | 0 | 109.7 | W505 E507 E525 | W505-T523 PolarHBondContact O-N 3.47Å; W505-T523 PolarHBondContact O-OG1 2.93Å; E507-T523 HydrophobicContact CB-CG2 3.97Å; E507-T523 HydrophobicContact CG-CG2 4.16Å; T523-E525 PolarHBondContact O-N 2.84Å; T523-E525 VanDerWaalsContact O-N 3.11Å; T523-E525 WeakPolarHBondContact OG1-CB 3.47Å; T523-E525 PolarHBondContact OG1-N 2.99Å |
| 524 | N | 63.3 | Low | 70.3 | Confident | 164 Ų | 164 | 72.4 Ų | 72.4 | 88% | 0.877 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 15.7 | 169 | -100.7 | 5.1 | 0 | 0 | 0 | 112.6 | ||
| 525 | E | 73.3 | Confident | 72.3 | Confident | 101 Ų | 101 | 69.3 Ų | 69.3 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.9 | 177.2 | -61.1 | -172.2 | 163 | 0 | 0 | 110.4 | K432 Y504 W505 T523 | K432-E525 IonicContact NZ-OE2 3.79Å; K432-E525 PolarHBondContact NZ-OE2 3.5Å; Y504-E525 WeakPolarHBondContact CA-O 3.34Å; W505-E525 PolarHBondContact N-O 3.25Å; T523-E525 PolarHBondContact O-N 2.84Å; T523-E525 VanDerWaalsContact O-N 3.11Å; T523-E525 WeakPolarHBondContact OG1-CB 3.47Å; T523-E525 PolarHBondContact OG1-N 2.99Å |
| 526 | N | 79.7 | Confident | 74.5 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 151.2 | 176.8 | -64.8 | 16.4 | 0 | 0 | 0 | 111.2 | L500 Y504 | L500-N526 HydrophobicContact CD2-CB 4.24Å; L500-N526 PolarHBondContact O-ND2 2.92Å; Y504-N526 WeakPolarHBondContact CD1-OD1 3.37Å; Y504-N526 WeakPolarHBondContact CE1-OD1 3.38Å |
| 527 | L | 85.7 | Confident | 76.6 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 125.1 | 171.6 | -169 | 130.2 | 0 | 0 | 0 | 109.8 | V426 L444 M448 T499 L503 W505 L529 | V426-L527 HydrophobicContact CG1-CD1 3.78Å; V426-L527 HydrophobicContact CG1-CD2 4.06Å; V426-L527 HydrophobicContact CG1-CG 3.83Å; V426-L527 HydrophobicContact CG2-CD1 4.38Å; V426-L527 HydrophobicContact CG2-CD2 4Å; L444-L527 HydrophobicContact CD1-CD1 4.41Å; L444-L527 HydrophobicContact CD2-CD1 4.11Å; M448-L527 HydrophobicContact SD-CD2 4.38Å; T499-L527 HydrophobicContact CG2-CB 4Å; T499-L527 HydrophobicContact CG2-CD2 3.42Å; T499-L527 VanDerWaalsContact CG2-CD2 3.42Å; T499-L527 HydrophobicContact CG2-CG 4.34Å; T499-L527 WeakPolarHBondContact CG2-O 3.43Å; L503-L527 HydrophobicContact CB-CB 4.08Å; L503-L527 PolarHBondContact O-N 3.33Å; W505-L527 HydrophobicContact CH2-CD1 4.26Å; W505-L527 HydrophobicContact CZ2-CD1 3.97Å; W505-L527 HydrophobicContact CZ2-CG 4.38Å; L527-L529 HydrophobicContact CD2-CD2 3.6Å; L527-L529 HydrophobicContact CD2-CG 4.12Å |
| 528 | H | 88.9 | Confident | 78.6 | Confident | 82 Ų | 82 | 51.8 Ų | 51.8 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 145.4 | 178 | -63.3 | -70.4 | 0 | 0 | 0 | 110.7 | V427 D570 | V427-H528 HydrophobicContact CB-CB 4.01Å; V427-H528 HydrophobicContact CG2-CB 3.73Å; V427-H528 WeakPolarHBondContact CG2-O 3.27Å; V427-H528 PolarHBondContact N-O 3.44Å; H528-D570 WeakPolarHBondContact CA-OD1 3.16Å; H528-D570 IonicContact CE1-OD2 3.9Å; H528-D570 IonicContact CG-OD2 3.59Å; H528-D570 IonicContact ND1-OD1 2.71Å; H528-D570 IonicContact ND1-OD2 3.56Å; H528-D570 PolarHBondContact ND1-OD2 2.89Å |
| 529 | L | 91.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 141.8 | -177.4 | -64 | 174.5 | 0 | 0 | 0 | 112.6 | K425 V426 Y452 I495 T499 L527 I531 P569 D570 | K425-L529 CarbonylContact O-C 3.58Å; K425-L529 WeakPolarHBondContact O-CA 3.43Å; V426-L529 HydrophobicContact CG2-CD2 3.96Å; Y452-L529 WeakPolarHBondContact OH-CD1 3.37Å; I495-L529 HydrophobicContact CG2-CD1 3.64Å; T499-L529 HydrophobicContact CG2-CD1 3.92Å; T499-L529 HydrophobicContact CG2-CG 4.03Å; T499-L529 WeakPolarHBondContact OG1-CD1 3.34Å; L527-L529 HydrophobicContact CD2-CD2 3.6Å; L527-L529 HydrophobicContact CD2-CG 4.12Å; L529-I531 HydrophobicContact CB-CG1 4.18Å; L529-I531 HydrophobicContact CD1-CD1 4.49Å; L529-P569 CarbonylContact O-C 3.36Å; L529-D570 PolarHBondContact N-OD1 2.91Å; L529-D570 PolarHBondContact O-N 3.48Å |
| 530 | Y | 93.5 | Very high | 82.5 | Confident | 63 Ų | 63 | 36.8 Ų | 36.8 | 25% | 0.247 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124.6 | 157.2 | -67.6 | -64.6 | 0 | 0 | 0 | 108.9 | T424 K425 V427 M564 G567 P569 | T424-Y530 CarbonylContact C-O 3.58Å; T424-Y530 VanDerWaalsContact CA-O 3.3Å; T424-Y530 WeakPolarHBondContact CA-O 3.42Å; K425-Y530 PolarHBondContact N-O 3.43Å; K425-Y530 PolarHBondContact O-N 3.21Å; V427-Y530 HydrophobicContact CB-CD2 4.33Å; V427-Y530 HydrophobicContact CB-CE2 3.92Å; V427-Y530 HydrophobicContact CG1-CE2 3.83Å; V427-Y530 HydrophobicContact CG2-CD1 4.41Å; V427-Y530 HydrophobicContact CG2-CD2 3.63Å; V427-Y530 HydrophobicContact CG2-CE1 4.29Å; V427-Y530 HydrophobicContact CG2-CE2 3.5Å; V427-Y530 VanDerWaalsContact CG2-CE2 3.5Å; V427-Y530 HydrophobicContact CG2-CG 4.09Å; Y530-M564 WeakPolarHBondContact O-CG 3.37Å; Y530-G567 WeakPolarHBondContact CE1-O 3.28Å; Y530-P569 HydrophobicContact CE1-CG 3.73Å |
| 531 | I | 93.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.4 | 175.1 | -56.9 | -165.3 | 0 | 0 | 0 | 109.8 | C422 F423 T424 A492 I495 I496 L529 V572 H573 | C422-I531 VanDerWaalsContact SG-CG2 3.54Å; F423-I531 WeakPolarHBondContact O-CA 3.45Å; T424-I531 HydrophobicContact CG2-CD1 4.04Å; T424-I531 HydrophobicContact CG2-CG1 4.05Å; T424-I531 HydrophobicContact CG2-CG2 4.47Å; A492-I531 HydrophobicContact CB-CD1 4.48Å; A492-I531 HydrophobicContact CB-CG2 4.06Å; I495-I531 HydrophobicContact CG2-CD1 4.15Å; I496-I531 HydrophobicContact CD1-CD1 3.76Å; I496-I531 HydrophobicContact CD1-CG1 4.46Å; I496-I531 HydrophobicContact CG1-CD1 3.42Å; I496-I531 VanDerWaalsContact CG1-CD1 3.42Å; I496-I531 HydrophobicContact CG1-CG1 4.34Å; L529-I531 HydrophobicContact CB-CG1 4.18Å; L529-I531 HydrophobicContact CD1-CD1 4.49Å; I531-V572 HydrophobicContact CB-CG2 4.49Å; I531-V572 HydrophobicContact CG2-CG1 4.05Å; I531-V572 HydrophobicContact CG2-CG2 4.3Å; I531-H573 WeakPolarHBondContact O-CB 3.36Å; I531-H573 PolarHBondContact O-N 3.36Å |
| 532 | G | 93.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 126.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | C422 F423 H573 | C422-G532 WeakPolarHBondContact CA-O 3.49Å; F423-G532 PolarHBondContact N-O 2.85Å; F423-G532 PolarHBondContact O-N 3.38Å; G532-H573 CarbonylContact C-O 3.59Å; G532-H573 VanDerWaalsContact CA-O 3.24Å; G532-H573 WeakPolarHBondContact CA-O 3.12Å |
| 533 | C | 94.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.8 | 179.3 | -48.2 | 0 | 0 | 0 | 0 | 111.3 | T420 I421 C422 I488 I489 H573 I574 S575 | T420-C533 HydrophobicContact CG2-CB 4.27Å; I421-C533 VanDerWaalsContact O-CA 3.29Å; I421-C533 WeakPolarHBondContact O-CA 3.48Å; C422-C533 VanDerWaalsContact SG-SG 3.64Å; I488-C533 HydrophobicContact CG2-CB 4.37Å; I489-C533 HydrophobicContact CD1-CB 4.29Å; C533-H573 PolarHBondContact N-O 3.01Å; C533-I574 HydrophobicContact CB-CG2 4.04Å; C533-I574 WeakPolarHBondContact O-CA 3.47Å; C533-S575 PolarHBondContact O-N 3.43Å |
| 534 | H | 94.8 | Very high | 87.5 | Confident | 17 Ų | 17 | 32.9 Ų | 32.9 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 141.7 | 171.2 | 168.3 | 72.1 | 0 | 0 | 0 | 110.2 | I421 T559 S560 M563 S575 S577 | I421-H534 PolarHBondContact N-O 2.95Å; I421-H534 PolarHBondContact O-N 3.31Å; H534-T559 HydrophobicContact CB-CG2 4.33Å; H534-T559 VanDerWaalsContact CD2-CB 3.46Å; H534-T559 WeakPolarHBondContact CD2-CB 3.33Å; H534-S560 WeakPolarHBondContact CB-OG 3.43Å; H534-S560 PolarHBondContact N-OG 3.35Å; H534-M563 HydrophobicContact CB-CG 4.14Å; H534-S575 WeakPolarHBondContact CA-OG 3.37Å; H534-S575 WeakPolarHBondContact ND1-CB 3.46Å; H534-S575 PolarHBondContact ND1-OG 2.96Å; H534-S577 PolarHBondContact CE1-OG 3.37Å; H534-S577 PolarHBondContact ND1-OG 2.89Å; H534-S577 VanDerWaalsContact ND1-OG 3.08Å |
| 535 | T | 93.9 | Very high | 88 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.7 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 110.2 | V419 T420 S577 C578 | V419-T535 CarbonylContact O-C 3.6Å; V419-T535 WeakPolarHBondContact O-CA 3.32Å; V419-T535 WeakPolarHBondContact O-CG2 3.46Å; T420-T535 PolarHBondContact OG1-OG1 3.31Å; T535-S577 WeakPolarHBondContact O-CB 3.34Å; T535-S577 PolarHBondContact O-OG 3.03Å; T535-C578 WeakPolarHBondContact OG1-CA 3.31Å |
| 536 | G | 92.3 | Very high | 88 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 9% | 0.093 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | -173.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | V419 T556 | V419-G536 VanDerWaalsContact CG2-O 3.29Å; V419-G536 WeakPolarHBondContact CG2-O 3.32Å; V419-G536 PolarHBondContact N-O 3.2Å; V419-G536 PolarHBondContact O-N 3.14Å; G536-T556 VanDerWaalsContact C-OG1 3.29Å; G536-T556 WeakPolarHBondContact CA-OG1 3.43Å |
| 537 | P | 92.9 | Very high | 87.9 | Confident | 55 Ų | 55 | 42.4 Ų | 42.4 | 36% | 0.357 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 144.9 | -177.2 | 31.1 | -34.7 | 0 | 0 | 0 | 113.1 | F416 D417 T556 V755 | F416-P537 CarbonylContact O-C 3.49Å; F416-P537 VanDerWaalsContact O-CA 3.29Å; F416-P537 WeakPolarHBondContact O-CA 3.43Å; D417-P537 WeakPolarHBondContact O-CA 3.29Å; D417-P537 WeakPolarHBondContact O-CB 3.49Å; P537-T556 PolarHBondContact O-OG1 3.13Å; P537-T556 VanDerWaalsContact O-OG1 3.1Å; P537-V755 HydrophobicContact CB-CG1 4.19Å |
| 538 | I | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 163.5 | 176.2 | 64.7 | 161.6 | 0 | 0 | 0 | 113 | F416 V419 I421 A477 A540 L552 T556 | F416-I538 HydrophobicContact CB-CG1 3.9Å; F416-I538 HydrophobicContact CD2-CD1 4.42Å; F416-I538 HydrophobicContact CD2-CG1 4.28Å; F416-I538 HydrophobicContact CG-CG1 4.48Å; F416-I538 PolarHBondContact N-O 3.49Å; F416-I538 PolarHBondContact O-N 3.44Å; V419-I538 HydrophobicContact CB-CD1 4.34Å; V419-I538 HydrophobicContact CB-CG1 4.37Å; V419-I538 HydrophobicContact CG1-CD1 4Å; V419-I538 HydrophobicContact CG1-CG1 3.93Å; V419-I538 HydrophobicContact CG2-CB 4.15Å; V419-I538 HydrophobicContact CG2-CD1 3.65Å; V419-I538 HydrophobicContact CG2-CG1 3.51Å; V419-I538 HydrophobicContact CG2-CG2 3.64Å; I421-I538 HydrophobicContact CD1-CG2 4Å; A477-I538 HydrophobicContact CB-CD1 4.15Å; I538-A540 HydrophobicContact CD1-CB 4.46Å; I538-L552 HydrophobicContact CD1-CB 4.26Å; I538-L552 HydrophobicContact CD1-CD1 3.9Å; I538-L552 HydrophobicContact CD1-CD2 3.83Å; I538-L552 HydrophobicContact CD1-CG 4.21Å; I538-T556 HydrophobicContact CG2-CG2 4.2Å |
| 539 | V | 90.5 | Very high | 87.3 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128 | 163.9 | -172.3 | 0 | 0 | 0 | 0 | 107.9 | I413 Q414 T415 F553 A751 L754 V755 | I413-V539 HydrophobicContact CG2-CG1 3.48Å; I413-V539 VanDerWaalsContact CG2-CG1 3.48Å; Q414-V539 WeakPolarHBondContact O-CA 3.42Å; T415-V539 HydrophobicContact CG2-CG1 4.42Å; T415-V539 HydrophobicContact CG2-CG2 4.12Å; V539-F553 PolarHBondContact N-O 2.85Å; V539-F553 PolarHBondContact O-N 3.22Å; V539-A751 HydrophobicContact CG2-CB 4.3Å; V539-L754 HydrophobicContact CG1-CD2 4.47Å; V539-L754 HydrophobicContact CG2-CD2 4.44Å; V539-V755 HydrophobicContact CG2-CG2 3.35Å |
| 540 | A | 89.2 | Confident | 87 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I413 Q414 F416 I538 Y550 C551 L552 | I413-A540 WeakPolarHBondContact CA-O 3.4Å; Q414-A540 PolarHBondContact N-O 3.08Å; Q414-A540 PolarHBondContact O-N 3.28Å; F416-A540 HydrophobicContact CD2-CB 4.17Å; F416-A540 HydrophobicContact CE2-CB 3.84Å; I538-A540 HydrophobicContact CD1-CB 4.46Å; A540-Y550 HydrophobicContact CB-CE1 4.06Å; A540-Y550 HydrophobicContact CB-CE2 4.06Å; A540-Y550 WeakPolarHBondContact CB-OH 3.29Å; A540-C551 WeakPolarHBondContact CA-O 3.05Å; A540-L552 HydrophobicContact CB-CD2 3.49Å; A540-L552 VanDerWaalsContact CB-CD2 3.49Å |
| 541 | G | 87.1 | Confident | 86.8 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.3 | 167.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C551 | G541-C551 PolarHBondContact N-O 2.99Å; G541-C551 VanDerWaalsContact N-O 3.14Å; G541-C551 PolarHBondContact O-N 3.43Å |
| 542 | V | 85.6 | Confident | 86.5 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 126.3 | 178.1 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | I395 V399 I403 P548 R549 Y550 | I395-V542 HydrophobicContact CD1-CG1 4.42Å; I395-V542 HydrophobicContact CG2-CG2 4.07Å; V399-V542 HydrophobicContact CG1-CG2 3.39Å; I403-V542 HydrophobicContact CD1-CB 4.18Å; I403-V542 HydrophobicContact CD1-CG1 4.12Å; I403-V542 HydrophobicContact CD1-CG2 3.91Å; V542-P548 HydrophobicContact CG1-CB 3.6Å; V542-R549 CarbonylContact C-O 3.56Å; V542-R549 VanDerWaalsContact CA-O 3.3Å; V542-R549 WeakPolarHBondContact CA-O 3.24Å; V542-Y550 HydrophobicContact CG2-CD2 4.25Å |
| 543 | V | 82.5 | Confident | 86.3 | Confident | 71 Ų | 71 | 48.2 Ų | 48.2 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136.5 | 179.5 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | R549 C551 F553 | V543-R549 PolarHBondContact N-O 2.71Å; V543-R549 PolarHBondContact O-N 3.46Å; V543-C551 HydrophobicContact CG2-CB 4.27Å; V543-F553 HydrophobicContact CG2-CE2 3.72Å; V543-F553 HydrophobicContact CG2-CZ 3.77Å |
| 544 | G | 78.8 | Confident | 85.9 | Confident | 48 Ų | 48 | 48.5 Ų | 48.5 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | trans | 95.2 | 143 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P548 | G544-P548 WeakPolarHBondContact O-CA 3.43Š| ||
| 545 | Y | 74 | Confident | 85.6 | Confident | 226 Ų | 226 | 50.4 Ų | 50.4 | 89% | 0.886 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -94.3 | -44 | -179.8 | -178.2 | -99.6 | 0 | 0 | 0 | 112.7 | ||
| 546 | K | 72.8 | Confident | 85.5 | Confident | 197 Ų | 197 | 50.3 Ų | 50.3 | 86% | 0.857 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -80.4 | -38 | -178 | -71.4 | -173.1 | 176.4 | -177.3 | 0 | 113.3 | ||
| 547 | T | 77.4 | Confident | 85.4 | Confident | 90 Ų | 90 | 51 Ų | 51 | 55% | 0.552 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -128.3 | 79.1 | 176.4 | 54.8 | 0 | 0 | 0 | 0 | 106.8 | R549 | T547-R549 PolarHBondContact O-N 2.88Š|
| 548 | P | 80.2 | Confident | 85.1 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | trans | -63.7 | 129.2 | -179.9 | 27.2 | -34.3 | 0 | 0 | 0 | 109.4 | I395 V542 G544 | I395-P548 HydrophobicContact CD1-CB 3.79Å; I395-P548 HydrophobicContact CD1-CG 3.86Å; V542-P548 HydrophobicContact CG1-CB 3.6Å; G544-P548 WeakPolarHBondContact O-CA 3.43Å | ||
| 549 | R | 82.2 | Confident | 85.1 | Confident | 121 Ų | 121 | 51.9 Ų | 51.9 | 46% | 0.457 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135 | -177.6 | -70 | 157 | 176 | -122.8 | 7.5 | 109.5 | E465 V542 V543 T547 C551 | E465-R549 WeakPolarHBondContact OE1-CD 3.38Å; E465-R549 WeakPolarHBondContact OE1-CG 3.36Å; E465-R549 IonicContact OE1-CZ 3.82Å; E465-R549 IonicContact OE1-NE 3.99Å; E465-R549 IonicContact OE1-NH1 3.9Å; E465-R549 PolarHBondContact OE1-NH1 3.44Å; E465-R549 IonicContact OE2-NH1 2.81Å; V542-R549 CarbonylContact C-O 3.56Å; V542-R549 VanDerWaalsContact CA-O 3.3Å; V542-R549 WeakPolarHBondContact CA-O 3.24Å; V543-R549 PolarHBondContact N-O 2.71Å; V543-R549 PolarHBondContact O-N 3.46Å; T547-R549 PolarHBondContact O-N 2.88Å; R549-C551 PolarHBondContact O-N 3.19Å |
| 550 | Y | 85.5 | Confident | 85.1 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 101.5 | 171.9 | -172.3 | -106 | 0 | 0 | 0 | 109 | P396 V399 Y462 V464 A540 V542 L552 | P396-Y550 HydrophobicContact CG-CD1 4.03Å; P396-Y550 HydrophobicContact CG-CD2 4.17Å; P396-Y550 HydrophobicContact CG-CE1 4.28Å; P396-Y550 HydrophobicContact CG-CE2 4.44Å; P396-Y550 HydrophobicContact CG-CG 3.94Å; V399-Y550 HydrophobicContact CG2-CD2 4.38Å; V399-Y550 HydrophobicContact CG2-CE2 4Å; Y462-Y550 HydrophobicContact CD1-CD1 4.15Å; Y462-Y550 HydrophobicContact CD1-CE1 4.37Å; Y462-Y550 AromaticContact CE1-CD1 3.59Å; Y462-Y550 HydrophobicContact CE1-CD1 3.59Å; Y462-Y550 HydrophobicContact CE1-CE1 4.23Å; Y462-Y550 HydrophobicContact CE1-CG 4.4Å; V464-Y550 WeakPolarHBondContact CG1-O 3.22Å; A540-Y550 HydrophobicContact CB-CE1 4.06Å; A540-Y550 HydrophobicContact CB-CE2 4.06Å; A540-Y550 WeakPolarHBondContact CB-OH 3.29Å; V542-Y550 HydrophobicContact CG2-CD2 4.25Å; Y550-L552 HydrophobicContact CD1-CD2 4.26Å; Y550-L552 HydrophobicContact CE1-CD2 3.76Å |
| 551 | C | 87.3 | Confident | 85.2 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 142.5 | -174.3 | -63 | 0 | 0 | 0 | 0 | 110.9 | A540 G541 V543 R549 F553 | A540-C551 WeakPolarHBondContact CA-O 3.05Å; G541-C551 PolarHBondContact N-O 2.99Å; G541-C551 VanDerWaalsContact N-O 3.14Å; G541-C551 PolarHBondContact O-N 3.43Å; V543-C551 HydrophobicContact CG2-CB 4.27Å; R549-C551 PolarHBondContact O-N 3.19Å; C551-F553 HydrophobicContact CB-CD2 4.43Å; C551-F553 HydrophobicContact CB-CE1 4.38Å; C551-F553 HydrophobicContact CB-CE2 3.55Å; C551-F553 HydrophobicContact CB-CZ 3.52Å |
| 552 | L | 88.9 | Confident | 85.3 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132.5 | 169.9 | -48.2 | -172.5 | 0 | 0 | 0 | 109.6 | I421 V464 M472 V474 I538 A540 Y550 V557 | I421-L552 HydrophobicContact CD1-CD1 3.84Å; I421-L552 HydrophobicContact CG1-CD1 4.28Å; V464-L552 HydrophobicContact CG1-CG 3.98Å; V464-L552 HydrophobicContact CG2-CD1 3.65Å; V464-L552 HydrophobicContact CG2-CG 3.92Å; M472-L552 HydrophobicContact CE-CB 4.31Å; M472-L552 HydrophobicContact CE-CD1 3.7Å; M472-L552 HydrophobicContact CE-CG 4.26Å; V474-L552 HydrophobicContact CB-CD1 3.81Å; V474-L552 HydrophobicContact CG1-CD1 3.95Å; V474-L552 HydrophobicContact CG2-CD1 3.83Å; I538-L552 HydrophobicContact CD1-CB 4.26Å; I538-L552 HydrophobicContact CD1-CD1 3.9Å; I538-L552 HydrophobicContact CD1-CD2 3.83Å; I538-L552 HydrophobicContact CD1-CG 4.21Å; A540-L552 HydrophobicContact CB-CD2 3.49Å; A540-L552 VanDerWaalsContact CB-CD2 3.49Å; Y550-L552 HydrophobicContact CD1-CD2 4.26Å; Y550-L552 HydrophobicContact CE1-CD2 3.76Å; L552-V557 HydrophobicContact CB-CG2 3.99Å |
| 553 | F | 88.2 | Confident | 85.6 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 23% | 0.232 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.3 | 177.9 | -58.8 | -77.6 | 0 | 0 | 0 | 110 | V539 V543 C551 A751 | V539-F553 PolarHBondContact N-O 2.85Å; V539-F553 PolarHBondContact O-N 3.22Å; V543-F553 HydrophobicContact CG2-CE2 3.72Å; V543-F553 HydrophobicContact CG2-CZ 3.77Å; C551-F553 HydrophobicContact CB-CD2 4.43Å; C551-F553 HydrophobicContact CB-CE1 4.38Å; C551-F553 HydrophobicContact CB-CE2 3.55Å; C551-F553 HydrophobicContact CB-CZ 3.52Å; F553-A751 HydrophobicContact CB-CB 3.82Å |
| 554 | G | 87.9 | Confident | 86.1 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 146.8 | 159 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | T556 V557 N748 | G554-T556 PolarHBondContact O-N 3.05Å; G554-V557 WeakPolarHBondContact O-CB 3.39Å; G554-V557 PolarHBondContact O-N 3.14Å; G554-V557 VanDerWaalsContact O-N 3.1Å; G554-N748 PolarHBondContact N-OD1 2.77Å |
| 555 | D | 88.3 | Confident | 86.6 | Confident | 57 Ų | 57 | 55.3 Ų | 55.3 | 31% | 0.305 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.6 | -23.5 | 177.6 | -173.2 | 37.6 | 0 | 0 | 0 | 112.7 | V557 N558 T559 K600 | D555-V557 VanDerWaalsContact C-N 3.33Å; D555-V557 PolarHBondContact O-N 3.23Å; D555-N558 PolarHBondContact O-N 3.46Å; D555-T559 WeakPolarHBondContact O-CB 3.33Å; D555-T559 PolarHBondContact O-N 3.1Å; D555-T559 PolarHBondContact O-OG1 2.92Å; D555-K600 WeakPolarHBondContact OD2-CE 3.44Å; D555-K600 IonicContact OD2-NZ 3.51Å; D555-K600 PolarHBondContact OD2-NZ 3.49Å |
| 556 | T | 90.9 | Very high | 87.3 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.7 | -40.7 | 172.8 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | I421 G536 P537 I538 G554 N558 T559 S560 | I421-T556 HydrophobicContact CD1-CG2 4.15Å; G536-T556 VanDerWaalsContact C-OG1 3.29Å; G536-T556 WeakPolarHBondContact CA-OG1 3.43Å; P537-T556 PolarHBondContact O-OG1 3.13Å; P537-T556 VanDerWaalsContact O-OG1 3.1Å; I538-T556 HydrophobicContact CG2-CG2 4.2Å; G554-T556 PolarHBondContact O-N 3.05Å; T556-N558 PolarHBondContact O-N 2.76Å; T556-T559 PolarHBondContact O-N 3.21Å; T556-S560 PolarHBondContact O-N 2.87Å; T556-S560 PolarHBondContact O-OG 3.07Å |
| 557 | V | 89.9 | Confident | 88 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 14% | 0.139 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -48.3 | 178.2 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | I421 F423 M472 L552 G554 D555 T559 S560 S561 | I421-V557 HydrophobicContact CD1-CB 4.49Å; I421-V557 HydrophobicContact CD1-CG2 3.73Å; F423-V557 HydrophobicContact CE2-CG1 4.18Å; F423-V557 WeakPolarHBondContact CE2-O 3.39Å; F423-V557 HydrophobicContact CZ-CG1 3.93Å; M472-V557 HydrophobicContact CE-CG1 3.9Å; M472-V557 HydrophobicContact CE-CG2 4.28Å; L552-V557 HydrophobicContact CB-CG2 3.99Å; G554-V557 WeakPolarHBondContact O-CB 3.39Å; G554-V557 PolarHBondContact O-N 3.14Å; G554-V557 VanDerWaalsContact O-N 3.1Å; D555-V557 VanDerWaalsContact C-N 3.33Å; D555-V557 PolarHBondContact O-N 3.23Å; V557-T559 PolarHBondContact O-N 3.25Å; V557-S560 PolarHBondContact O-N 2.52Å; V557-S561 PolarHBondContact O-N 3.38Å; V557-S561 VanDerWaalsContact O-N 3.11Å |
| 558 | N | 88.4 | Confident | 88.5 | Confident | 71 Ų | 71 | 36.6 Ų | 36.6 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 178.3 | -66 | -33.4 | 0 | 0 | 0 | 111.2 | D555 T556 S561 R562 N748 | D555-N558 PolarHBondContact O-N 3.46Å; T556-N558 PolarHBondContact O-N 2.76Å; N558-S561 PolarHBondContact O-N 3.41Å; N558-R562 WeakPolarHBondContact O-CG 3.28Å; N558-R562 PolarHBondContact O-N 2.94Å; N558-N748 PolarHBondContact ND2-ND2 3.43Å |
| 559 | T | 90.7 | Very high | 89 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66 | -41.6 | -178.8 | -56 | 0 | 0 | 0 | 0 | 111.3 | H534 D555 T556 V557 S561 R562 M563 K600 M603 | H534-T559 HydrophobicContact CB-CG2 4.33Å; H534-T559 VanDerWaalsContact CD2-CB 3.46Å; H534-T559 WeakPolarHBondContact CD2-CB 3.33Å; D555-T559 WeakPolarHBondContact O-CB 3.33Å; D555-T559 PolarHBondContact O-N 3.1Å; D555-T559 PolarHBondContact O-OG1 2.92Å; T556-T559 PolarHBondContact O-N 3.21Å; V557-T559 PolarHBondContact O-N 3.25Å; T559-S561 PolarHBondContact O-N 2.85Å; T559-R562 WeakPolarHBondContact O-CB 3.46Å; T559-R562 PolarHBondContact O-N 2.92Å; T559-R562 VanDerWaalsContact O-N 3.12Å; T559-M563 WeakPolarHBondContact O-CG 3.2Å; T559-M563 PolarHBondContact O-N 3.46Å; T559-K600 WeakPolarHBondContact OG1-CE 3.45Å; T559-M603 HydrophobicContact CG2-CE 4.47Å; T559-M603 HydrophobicContact CG2-SD 4.49Å |
| 560 | S | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 173.6 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | I421 H534 T556 V557 R562 M563 M564 | I421-S560 WeakPolarHBondContact CB-OG 3.31Å; I421-S560 PolarHBondContact O-OG 2.88Å; I421-S560 VanDerWaalsContact O-OG 3.1Å; H534-S560 WeakPolarHBondContact CB-OG 3.43Å; H534-S560 PolarHBondContact N-OG 3.35Å; T556-S560 PolarHBondContact O-N 2.87Å; T556-S560 PolarHBondContact O-OG 3.07Å; V557-S560 PolarHBondContact O-N 2.52Å; S560-R562 VanDerWaalsContact C-N 3.28Å; S560-R562 PolarHBondContact O-N 2.86Å; S560-M563 WeakPolarHBondContact O-CB 3.28Å; S560-M563 PolarHBondContact O-N 2.84Å; S560-M564 PolarHBondContact O-N 2.89Å |
| 561 | S | 90.5 | Very high | 89.5 | Confident | 47 Ų | 47 | 36.5 Ų | 36.5 | 33% | 0.329 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.4 | -37.7 | 174.8 | -177 | 0 | 0 | 0 | 0 | 111.8 | V557 N558 T559 M564 S565 | V557-S561 PolarHBondContact O-N 3.38Å; V557-S561 VanDerWaalsContact O-N 3.11Å; N558-S561 PolarHBondContact O-N 3.41Å; T559-S561 PolarHBondContact O-N 2.85Å; S561-M564 PolarHBondContact O-N 3.47Å; S561-S565 PolarHBondContact O-N 3.33Å; S561-S565 PolarHBondContact O-OG 3.4Å |
| 562 | R | 89.9 | Confident | 89.8 | Confident | 98 Ų | 98 | 35.5 Ų | 35.5 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.7 | -39.7 | 174 | -65.7 | -62.7 | -179.8 | -157.1 | -8.8 | 112.6 | N558 T559 S560 M564 S565 H566 I597 | N558-R562 WeakPolarHBondContact O-CG 3.28Å; N558-R562 PolarHBondContact O-N 2.94Å; T559-R562 WeakPolarHBondContact O-CB 3.46Å; T559-R562 PolarHBondContact O-N 2.92Å; T559-R562 VanDerWaalsContact O-N 3.12Å; S560-R562 VanDerWaalsContact C-N 3.28Å; S560-R562 PolarHBondContact O-N 2.86Å; R562-M564 VanDerWaalsContact C-N 3.26Å; R562-M564 PolarHBondContact O-N 3.4Å; R562-S565 WeakPolarHBondContact CA-OG 3.36Å; R562-S565 PolarHBondContact O-N 3.4Å; R562-S565 PolarHBondContact O-OG 3.02Å; R562-H566 PolarHBondContact O-N 3.13Å; R562-H566 VanDerWaalsContact O-N 3.12Å; R562-H566 PolarHBondContact O-ND1 2.91Å; R562-I597 HydrophobicContact CB-CG2 3.8Å; R562-I597 HydrophobicContact CG-CG2 3.95Å |
| 563 | M | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.1 | -44.5 | 173.7 | -67.6 | -60 | 92 | 0 | 0 | 110.3 | H534 T559 S560 H566 G567 H573 I597 M603 T605 | H534-M563 HydrophobicContact CB-CG 4.14Å; T559-M563 WeakPolarHBondContact O-CG 3.2Å; T559-M563 PolarHBondContact O-N 3.46Å; S560-M563 WeakPolarHBondContact O-CB 3.28Å; S560-M563 PolarHBondContact O-N 2.84Å; M563-H566 PolarHBondContact O-N 2.89Å; M563-G567 PolarHBondContact O-N 3.45Å; M563-G567 VanDerWaalsContact O-N 3.13Å; M563-H573 PolarHBondContact O-ND1 3.37Å; M563-I597 HydrophobicContact CE-CD1 3.16Å; M563-I597 HydrophobicContact CE-CG1 4.07Å; M563-M603 HydrophobicContact SD-CE 4.49Å; M563-T605 HydrophobicContact CE-CG2 4.09Å; M563-T605 HydrophobicContact SD-CG2 3.93Å |
| 564 | M | 92.2 | Very high | 90.3 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 178 | 172.6 | -85.2 | -76 | 0 | 0 | 110.9 | F423 K425 Y530 S560 S561 R562 H566 G567 | F423-M564 HydrophobicContact CB-CB 3.84Å; F423-M564 HydrophobicContact CB-CE 4.25Å; F423-M564 HydrophobicContact CB-CG 4.15Å; K425-M564 HydrophobicContact CB-CE 3.71Å; K425-M564 HydrophobicContact CB-CG 4.01Å; K425-M564 HydrophobicContact CB-SD 3.35Å; K425-M564 WeakPolarHBondContact CB-SD 3.21Å; K425-M564 HydrophobicContact CD-CE 3.81Å; K425-M564 HydrophobicContact CD-SD 3.71Å; K425-M564 HydrophobicContact CG-CE 4.37Å; K425-M564 HydrophobicContact CG-SD 4.13Å; Y530-M564 WeakPolarHBondContact O-CG 3.37Å; S560-M564 PolarHBondContact O-N 2.89Å; S561-M564 PolarHBondContact O-N 3.47Å; R562-M564 VanDerWaalsContact C-N 3.26Å; R562-M564 PolarHBondContact O-N 3.4Å; M564-H566 VanDerWaalsContact C-N 3.29Å; M564-H566 PolarHBondContact O-N 3.4Å; M564-G567 PolarHBondContact O-N 2.88Å |
| 565 | S | 88.7 | Confident | 90.5 | Very high | 61 Ų | 61 | 31.9 Ų | 31.9 | 43% | 0.427 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.6 | -26.8 | -177.3 | 64 | 0 | 0 | 0 | 0 | 115.3 | S561 R562 | S561-S565 PolarHBondContact O-N 3.33Å; S561-S565 PolarHBondContact O-OG 3.4Å; R562-S565 WeakPolarHBondContact CA-OG 3.36Å; R562-S565 PolarHBondContact O-N 3.4Å; R562-S565 PolarHBondContact O-OG 3.02Å |
| 566 | H | 88.8 | Confident | 90.6 | Very high | 67 Ų | 67 | 32.4 Ų | 32.4 | 31% | 0.31 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 10.3 | 175.7 | -62.3 | 79.3 | 0 | 0 | 0 | 112 | R562 M563 M564 R592 | R562-H566 PolarHBondContact O-N 3.13Å; R562-H566 VanDerWaalsContact O-N 3.12Å; R562-H566 PolarHBondContact O-ND1 2.91Å; M563-H566 PolarHBondContact O-N 2.89Å; M564-H566 VanDerWaalsContact C-N 3.29Å; M564-H566 PolarHBondContact O-N 3.4Å; H566-R592 PolarHBondContact O-NH1 3.2Å |
| 567 | G | 87.4 | Confident | 90.5 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | trans | -66.8 | 171.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | Y530 M563 M564 | Y530-G567 WeakPolarHBondContact CE1-O 3.28Å; M563-G567 PolarHBondContact O-N 3.45Å; M563-G567 VanDerWaalsContact O-N 3.13Å; M564-G567 PolarHBondContact O-N 2.88Å | ||
| 568 | V | 89.5 | Confident | 90.5 | Very high | 43 Ų | 43 | 32.7 Ų | 32.7 | 26% | 0.261 | 18% | 0.177 | S | C | . | . | trans | -104.5 | 145.5 | 169.7 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | D570 K571 L607 | V568-D570 PolarHBondContact O-N 3.01Å; V568-K571 HydrophobicContact CB-CB 4.29Å; V568-K571 HydrophobicContact CB-CD 4.47Å; V568-K571 HydrophobicContact CG1-CD 4.33Å; V568-K571 PolarHBondContact O-N 3.15Å; V568-L607 HydrophobicContact CG2-CD1 4.35Å; V568-L607 HydrophobicContact CG2-CD2 4.46Å | ||
| 569 | P | 89.8 | Confident | 90.5 | Very high | 53 Ų | 53 | 30 Ų | 30 | 34% | 0.344 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 136.1 | 175.5 | -25.6 | 36.6 | 0 | 0 | 0 | 111.6 | V427 L529 Y530 K571 | V427-P569 HydrophobicContact CG2-CB 4.13Å; V427-P569 HydrophobicContact CG2-CG 4.29Å; L529-P569 CarbonylContact O-C 3.36Å; Y530-P569 HydrophobicContact CE1-CG 3.73Å; P569-K571 PolarHBondContact O-N 3.25Å; P569-K571 VanDerWaalsContact O-N 3.12Å |
| 570 | D | 88.4 | Confident | 90.4 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 22% | 0.219 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 25.6 | 177.6 | -46.5 | -36.2 | 0 | 0 | 0 | 115.1 | I496 H528 L529 V568 | I496-D570 HydrophobicContact CG2-CB 4.05Å; H528-D570 WeakPolarHBondContact CA-OD1 3.16Å; H528-D570 IonicContact CE1-OD2 3.9Å; H528-D570 IonicContact CG-OD2 3.59Å; H528-D570 IonicContact ND1-OD1 2.71Å; H528-D570 IonicContact ND1-OD2 3.56Å; H528-D570 PolarHBondContact ND1-OD2 2.89Å; L529-D570 PolarHBondContact N-OD1 2.91Å; L529-D570 PolarHBondContact O-N 3.48Å; V568-D570 PolarHBondContact O-N 3.01Å |
| 571 | K | 89.8 | Confident | 90.1 | Very high | 81 Ų | 81 | 37 Ų | 37 | 35% | 0.352 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -126.8 | 141.4 | 171.3 | -65.2 | -167.1 | 175 | -168.5 | 0 | 110.3 | V568 P569 H573 L607 | V568-K571 HydrophobicContact CB-CB 4.29Å; V568-K571 HydrophobicContact CB-CD 4.47Å; V568-K571 HydrophobicContact CG1-CD 4.33Å; V568-K571 PolarHBondContact O-N 3.15Å; P569-K571 PolarHBondContact O-N 3.25Å; P569-K571 VanDerWaalsContact O-N 3.12Å; K571-H573 PolarHBondContact O-N 2.94Å; K571-L607 HydrophobicContact CB-CD2 4.29Å; K571-L607 HydrophobicContact CD-CD1 4.31Å |
| 572 | V | 92.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 111.4 | 178.6 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | I489 A492 L493 I496 I531 I574 L607 V608 | I489-V572 HydrophobicContact CD1-CG1 3.7Å; A492-V572 HydrophobicContact CB-CG1 4.24Å; A492-V572 HydrophobicContact CB-CG2 3.95Å; L493-V572 HydrophobicContact CD2-CG2 4.1Å; I496-V572 HydrophobicContact CD1-CG2 3.62Å; I531-V572 HydrophobicContact CB-CG2 4.49Å; I531-V572 HydrophobicContact CG2-CG1 4.05Å; I531-V572 HydrophobicContact CG2-CG2 4.3Å; V572-I574 HydrophobicContact CG1-CG2 3.88Å; V572-L607 WeakPolarHBondContact O-CA 3.35Å; V572-V608 HydrophobicContact CB-CB 4.18Å; V572-V608 PolarHBondContact O-N 3.37Å |
| 573 | H | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 122.8 | -179.8 | -173.7 | -149.7 | 0 | 0 | 0 | 111 | I531 G532 C533 M563 K571 T605 Y606 L607 | I531-H573 WeakPolarHBondContact O-CB 3.36Å; I531-H573 PolarHBondContact O-N 3.36Å; G532-H573 CarbonylContact C-O 3.59Å; G532-H573 VanDerWaalsContact CA-O 3.24Å; G532-H573 WeakPolarHBondContact CA-O 3.12Å; C533-H573 PolarHBondContact N-O 3.01Å; M563-H573 PolarHBondContact O-ND1 3.37Å; K571-H573 PolarHBondContact O-N 2.94Å; H573-T605 WeakPolarHBondContact NE2-CB 3.3Å; H573-T605 PolarHBondContact NE2-OG1 2.99Å; H573-Y606 PolarHBondContact CD2-O 2.76Å; H573-L607 HydrophobicContact CB-CD2 3.98Å |
| 574 | I | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 149.9 | -171.4 | 71.1 | 169.8 | 0 | 0 | 0 | 112.2 | I489 C533 V572 C578 A579 L582 V589 Y606 V608 | I489-I574 HydrophobicContact CD1-CG2 3.81Å; C533-I574 HydrophobicContact CB-CG2 4.04Å; C533-I574 WeakPolarHBondContact O-CA 3.47Å; V572-I574 HydrophobicContact CG1-CG2 3.88Å; I574-C578 HydrophobicContact CB-CB 4.13Å; I574-A579 HydrophobicContact CD1-CB 3.81Å; I574-A579 HydrophobicContact CG1-CB 4.48Å; I574-L582 HydrophobicContact CD1-CD1 3.63Å; I574-V589 HydrophobicContact CD1-CG1 3.97Å; I574-V589 HydrophobicContact CD1-CG2 4.45Å; I574-Y606 WeakPolarHBondContact CG1-O 3.29Å; I574-Y606 PolarHBondContact N-O 3Å; I574-Y606 PolarHBondContact O-N 3Å; I574-V608 HydrophobicContact CD1-CG2 3.71Å; I574-V608 HydrophobicContact CG1-CG2 4.23Å; I574-V608 HydrophobicContact CG2-CG2 3.82Å |
| 575 | S | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 162 | 171.4 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | C533 H534 S577 C578 A579 | C533-S575 PolarHBondContact O-N 3.43Å; H534-S575 WeakPolarHBondContact CA-OG 3.37Å; H534-S575 WeakPolarHBondContact ND1-CB 3.46Å; H534-S575 PolarHBondContact ND1-OG 2.96Å; S575-S577 VanDerWaalsContact C-N 3.3Å; S575-S577 PolarHBondContact O-N 3.18Å; S575-S577 PolarHBondContact OG-OG 2.91Å; S575-C578 PolarHBondContact O-N 3.32Å; S575-C578 VanDerWaalsContact O-N 3.08Å; S575-C578 WeakPolarHBondContact OG-CB 3.27Å; S575-C578 PolarHBondContact OG-N 2.97Å; S575-C578 VanDerWaalsContact OG-N 3.1Å; S575-A579 PolarHBondContact O-N 3.34Å |
| 576 | E | 90.4 | Very high | 87 | Confident | 68 Ų | 68 | 37.3 Ų | 37.3 | 32% | 0.318 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -53.7 | -43.3 | 168.5 | -176.2 | 171.5 | -153.1 | 0 | 0 | 113.1 | C578 A579 Q580 K604 Y606 | E576-C578 VanDerWaalsContact C-N 3.3Å; E576-C578 PolarHBondContact O-N 3.39Å; E576-A579 PolarHBondContact O-N 3.42Å; E576-Q580 WeakPolarHBondContact O-CG 3.38Å; E576-Q580 PolarHBondContact O-N 3.47Å; E576-K604 HydrophobicContact CB-CB 4.48Å; E576-K604 PolarHBondContact N-O 3.32Å; E576-Y606 HydrophobicContact CB-CE2 3.97Å; E576-Y606 HydrophobicContact CG-CE2 4.17Å |
| 577 | S | 90.3 | Very high | 86.7 | Confident | 33 Ų | 33 | 34.9 Ų | 34.9 | 23% | 0.231 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -36.8 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | H534 T535 S575 S581 | H534-S577 PolarHBondContact CE1-OG 3.37Å; H534-S577 PolarHBondContact ND1-OG 2.89Å; H534-S577 VanDerWaalsContact ND1-OG 3.08Å; T535-S577 WeakPolarHBondContact O-CB 3.34Å; T535-S577 PolarHBondContact O-OG 3.03Å; S575-S577 VanDerWaalsContact C-N 3.3Å; S575-S577 PolarHBondContact O-N 3.18Å; S575-S577 PolarHBondContact OG-OG 2.91Å; S577-S581 PolarHBondContact O-N 2.92Å; S577-S581 VanDerWaalsContact O-N 3.11Å; S577-S581 PolarHBondContact O-OG 3.48Å |
| 578 | C | 89.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.9 | -41.1 | 178.3 | -171.6 | 0 | 0 | 0 | 0 | 110.4 | T535 I574 S575 E576 Q580 S581 L582 | T535-C578 WeakPolarHBondContact OG1-CA 3.31Å; I574-C578 HydrophobicContact CB-CB 4.13Å; S575-C578 PolarHBondContact O-N 3.32Å; S575-C578 VanDerWaalsContact O-N 3.08Å; S575-C578 WeakPolarHBondContact OG-CB 3.27Å; S575-C578 PolarHBondContact OG-N 2.97Å; S575-C578 VanDerWaalsContact OG-N 3.1Å; E576-C578 VanDerWaalsContact C-N 3.3Å; E576-C578 PolarHBondContact O-N 3.39Å; C578-Q580 VanDerWaalsContact C-N 3.3Å; C578-Q580 PolarHBondContact O-N 3.46Å; C578-S581 PolarHBondContact O-N 2.93Å; C578-L582 WeakPolarHBondContact O-CB 3.3Å; C578-L582 WeakPolarHBondContact O-CD1 3.43Å; C578-L582 VanDerWaalsContact O-CG 3.25Å; C578-L582 WeakPolarHBondContact O-CG 3.44Å; C578-L582 PolarHBondContact O-N 2.9Å |
| 579 | A | 88 | Confident | 86.2 | Confident | 15 Ų | 15 | 39 Ų | 39 | 12% | 0.124 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.1 | -38.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I574 S575 E576 L582 S583 V589 Y606 | I574-A579 HydrophobicContact CD1-CB 3.81Å; I574-A579 HydrophobicContact CG1-CB 4.48Å; S575-A579 PolarHBondContact O-N 3.34Å; E576-A579 PolarHBondContact O-N 3.42Å; A579-L582 CarbonylContact O-C 3.55Å; A579-L582 PolarHBondContact O-N 2.99Å; A579-S583 PolarHBondContact O-N 3.39Å; A579-V589 HydrophobicContact CB-CG1 4.27Å; A579-Y606 HydrophobicContact CB-CD2 3.69Å; A579-Y606 HydrophobicContact CB-CE2 4.06Å; A579-Y606 HydrophobicContact CB-CG 4Å |
| 580 | Q | 87.6 | Confident | 86.1 | Confident | 121 Ų | 121 | 41.6 Ų | 41.6 | 57% | 0.565 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65.1 | -44.8 | 173.7 | -72.5 | 172.5 | 2.9 | 0 | 0 | 112 | E576 C578 L582 S583 | E576-Q580 WeakPolarHBondContact O-CG 3.38Å; E576-Q580 PolarHBondContact O-N 3.47Å; C578-Q580 VanDerWaalsContact C-N 3.3Å; C578-Q580 PolarHBondContact O-N 3.46Å; Q580-L582 PolarHBondContact O-N 3.15Å; Q580-S583 PolarHBondContact O-N 2.94Å; Q580-S583 PolarHBondContact O-OG 3.42Å; Q580-S583 VanDerWaalsContact O-OG 3.04Å |
| 581 | S | 85.1 | Confident | 86.1 | Confident | 27 Ų | 27 | 43.2 Ų | 43.2 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -24.8 | 173.5 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | S577 C578 P584 Y585 | S577-S581 PolarHBondContact O-N 2.92Å; S577-S581 VanDerWaalsContact O-N 3.11Å; S577-S581 PolarHBondContact O-OG 3.48Å; C578-S581 PolarHBondContact O-N 2.93Å; S581-P584 WeakPolarHBondContact O-CD 3.41Å; S581-Y585 VanDerWaalsContact O-CE2 3.25Å; S581-Y585 WeakPolarHBondContact O-CE2 3.49Å |
| 582 | L | 84.8 | Confident | 85.8 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -86.4 | -15.5 | 178.5 | -72 | 160.3 | 0 | 0 | 0 | 114 | A485 I489 I574 C578 A579 Q580 P584 Y585 Y587 | A485-L582 HydrophobicContact CB-CD2 4.01Å; A485-L582 HydrophobicContact CB-CG 4.07Å; I489-L582 HydrophobicContact CB-CD2 4.31Å; I489-L582 HydrophobicContact CD1-CD1 4.18Å; I489-L582 HydrophobicContact CG1-CD1 3.73Å; I489-L582 HydrophobicContact CG1-CD2 3.77Å; I489-L582 HydrophobicContact CG1-CG 4.36Å; I574-L582 HydrophobicContact CD1-CD1 3.63Å; C578-L582 WeakPolarHBondContact O-CB 3.3Å; C578-L582 WeakPolarHBondContact O-CD1 3.43Å; C578-L582 VanDerWaalsContact O-CG 3.25Å; C578-L582 WeakPolarHBondContact O-CG 3.44Å; C578-L582 PolarHBondContact O-N 2.9Å; A579-L582 CarbonylContact O-C 3.55Å; A579-L582 PolarHBondContact O-N 2.99Å; Q580-L582 PolarHBondContact O-N 3.15Å; L582-P584 VanDerWaalsContact C-N 3.29Å; L582-Y585 HydrophobicContact CD2-CD2 4.38Å; L582-Y585 PolarHBondContact O-N 2.86Å; L582-Y587 HydrophobicContact CD2-CD2 3.6Å; L582-Y587 HydrophobicContact CD2-CE2 3.87Å; L582-Y587 HydrophobicContact CD2-CG 4.4Å |
| 583 | S | 78.4 | Confident | 85.5 | Confident | 97 Ų | 97 | 45.6 Ų | 45.6 | 68% | 0.678 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.2 | -175.8 | 75.8 | 0 | 0 | 0 | 0 | 115.6 | A579 Q580 Y585 | A579-S583 PolarHBondContact O-N 3.39Å; Q580-S583 PolarHBondContact O-N 2.94Å; Q580-S583 PolarHBondContact O-OG 3.42Å; Q580-S583 VanDerWaalsContact O-OG 3.04Å; S583-Y585 PolarHBondContact O-N 3.27Å |
| 584 | P | 74.1 | Confident | 85.1 | Confident | 75 Ų | 75 | 51 Ų | 51 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.6 | 175.3 | -17.6 | 33.8 | 0 | 0 | 0 | 114.3 | S581 L582 | S581-P584 WeakPolarHBondContact O-CD 3.41Å; L582-P584 VanDerWaalsContact C-N 3.29Å |
| 585 | Y | 76.1 | Confident | 84.7 | Confident | 40 Ų | 40 | 52.1 Ų | 52.1 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -111.5 | 160.6 | -168.7 | -52.9 | -55.3 | 0 | 0 | 0 | 112 | P482 L483 A486 S581 L582 S583 Y587 F628 | P482-Y585 PolarHBondContact O-OH 2.86Å; L483-Y585 HydrophobicContact CD2-CE1 3.68Å; L483-Y585 WeakPolarHBondContact CD2-OH 3.42Å; A486-Y585 HydrophobicContact CB-CD2 4.11Å; A486-Y585 HydrophobicContact CB-CE2 4.23Å; A486-Y585 HydrophobicContact CB-CG 4.44Å; S581-Y585 VanDerWaalsContact O-CE2 3.25Å; S581-Y585 WeakPolarHBondContact O-CE2 3.49Å; L582-Y585 HydrophobicContact CD2-CD2 4.38Å; L582-Y585 PolarHBondContact O-N 2.86Å; S583-Y585 PolarHBondContact O-N 3.27Å; Y585-Y587 PolarHBondContact O-N 3.48Å; Y585-F628 HydrophobicContact CD1-CD2 4.3Å; Y585-F628 AromaticContact CD1-CE2 3.31Å; Y585-F628 HydrophobicContact CD1-CE2 3.31Å; Y585-F628 AromaticContact CD1-CZ 3.58Å; Y585-F628 HydrophobicContact CD1-CZ 3.58Å; Y585-F628 AromaticContact CE1-CE2 3.81Å; Y585-F628 HydrophobicContact CE1-CE2 3.81Å; Y585-F628 HydrophobicContact CE1-CZ 4.22Å; Y585-F628 HydrophobicContact CG-CE2 4.1Å; Y585-F628 AromaticContact CG-CZ 3.91Å; Y585-F628 HydrophobicContact CG-CZ 3.91Å |
| 586 | P | 76.1 | Confident | 84.4 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | trans | -83.5 | 46.9 | -171.7 | 35.1 | -38.1 | 0 | 0 | 0 | 114.8 | K612 F615 F628 | P586-K612 HydrophobicContact CB-CB 4.42Å; P586-K612 PolarHBondContact O-N 3.41Å; P586-F615 HydrophobicContact CB-CB 3.24Å; P586-F615 HydrophobicContact CB-CD1 3.69Å; P586-F615 HydrophobicContact CB-CD2 3.93Å; P586-F615 HydrophobicContact CB-CE1 4.43Å; P586-F615 HydrophobicContact CB-CG 3.38Å; P586-F615 HydrophobicContact CG-CB 3.65Å; P586-F615 HydrophobicContact CG-CD1 3.57Å; P586-F615 HydrophobicContact CG-CE1 4.34Å; P586-F615 HydrophobicContact CG-CG 3.77Å; P586-F628 HydrophobicContact CG-CB 4.45Å; P586-F628 HydrophobicContact CG-CD1 4.11Å; P586-F628 HydrophobicContact CG-CG 4.29Å | ||
| 587 | Y | 81.6 | Confident | 84.2 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 140.3 | 177 | -65.9 | -72.6 | 0 | 0 | 0 | 111.3 | A486 I489 L493 L582 Y585 V608 R611 F628 | A486-Y587 HydrophobicContact CB-CE2 4.15Å; A486-Y587 PolarHBondContact O-OH 2.94Å; I489-Y587 HydrophobicContact CB-CE1 4.42Å; I489-Y587 HydrophobicContact CG2-CD1 3.79Å; I489-Y587 HydrophobicContact CG2-CE1 3.68Å; I489-Y587 HydrophobicContact CG2-CG 4.31Å; L493-Y587 HydrophobicContact CD1-CE1 4.28Å; L582-Y587 HydrophobicContact CD2-CD2 3.6Å; L582-Y587 HydrophobicContact CD2-CE2 3.87Å; L582-Y587 HydrophobicContact CD2-CG 4.4Å; Y585-Y587 PolarHBondContact O-N 3.48Å; Y587-V608 HydrophobicContact CD1-CG1 4.49Å; Y587-R611 HydrophobicContact CD1-CB 4.29Å; Y587-R611 HydrophobicContact CE1-CB 4.32Å; Y587-R611 HydrophobicContact CE1-CG 4.44Å; Y587-F628 HydrophobicContact CE2-CE1 4.19Å |
| 588 | E | 82.1 | Confident | 83.7 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 116.5 | 173.8 | -63.1 | -168.1 | 159.9 | 0 | 0 | 109.5 | V608 T609 G610 K612 | E588-V608 WeakPolarHBondContact O-CA 3.42Å; E588-T609 VanDerWaalsContact CB-OG1 3.27Å; E588-T609 WeakPolarHBondContact CB-OG1 3.43Å; E588-T609 PolarHBondContact O-N 2.87Å; E588-T609 PolarHBondContact O-OG1 2.86Å; E588-G610 PolarHBondContact N-O 3.03Å; E588-K612 HydrophobicContact CG-CD 4.43Å; E588-K612 HydrophobicContact CG-CG 3.81Å; E588-K612 VanDerWaalsContact OE1-CE 3.27Å; E588-K612 WeakPolarHBondContact OE1-CE 3.33Å; E588-K612 WeakPolarHBondContact OE1-CG 3.5Å |
| 589 | V | 85.4 | Confident | 83.2 | Confident | 55 Ų | 55 | 63.8 Ų | 63.8 | 33% | 0.333 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 114.9 | -172.9 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | I574 A579 Y606 L607 V608 | I574-V589 HydrophobicContact CD1-CG1 3.97Å; I574-V589 HydrophobicContact CD1-CG2 4.45Å; A579-V589 HydrophobicContact CB-CG1 4.27Å; V589-Y606 HydrophobicContact CG1-CD1 3.7Å; V589-Y606 HydrophobicContact CG1-CG 3.78Å; V589-L607 CarbonylContact C-O 3.56Å; V589-L607 WeakPolarHBondContact CA-O 3.35Å; V589-V608 HydrophobicContact CG2-CG2 4.5Å |
| 590 | E | 87.9 | Confident | 82.8 | Confident | 106 Ų | 106 | 67.7 Ų | 67.7 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.2 | 178.2 | -171.7 | -177.3 | 179.9 | 0 | 0 | 110.1 | R592 Y606 L607 T609 | E590-R592 PolarHBondContact O-N 2.9Å; E590-Y606 CarbonylContact O-C 3.56Å; E590-Y606 WeakPolarHBondContact O-CA 3.35Å; E590-Y606 WeakPolarHBondContact O-CB 3.48Å; E590-L607 PolarHBondContact N-O 2.77Å; E590-L607 PolarHBondContact O-N 2.83Å; E590-T609 HydrophobicContact CB-CG2 4.44Å |
| 591 | C | 87.2 | Confident | 82.6 | Confident | 75 Ų | 75 | 63.8 Ų | 63.8 | 51% | 0.507 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 122.3 | 177.7 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | Y606 | C591-Y606 HydrophobicContact CB-CD1 3.81Å; C591-Y606 HydrophobicContact CB-CE1 3.71Å |
| 592 | R | 84 | Confident | 82.7 | Confident | 103 Ų | 103 | 67.7 Ų | 67.7 | 39% | 0.389 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -14.2 | -180 | -171 | 170.7 | 176.7 | -174.5 | 1.3 | 113.2 | H566 E590 I595 T605 | H566-R592 PolarHBondContact O-NH1 3.2Å; E590-R592 PolarHBondContact O-N 2.9Å; R592-I595 HydrophobicContact CG-CD1 4.24Å; R592-T605 PolarHBondContact N-O 3.01Å |
| 593 | G | 85.5 | Confident | 82.7 | Confident | 29 Ų | 29 | 69 Ų | 69 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 94.4 | -165.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T605 | G593-T605 PolarHBondContact O-N 3.39Å; G593-T605 VanDerWaalsContact O-N 3.13Å; G593-T605 PolarHBondContact O-OG1 3.48Å |
| 594 | E | 86.7 | Confident | 83.2 | Confident | 115 Ų | 115 | 68.7 Ų | 68.7 | 54% | 0.537 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 120.1 | -179 | -72.6 | -176.8 | -170.5 | 0 | 0 | 111.4 | N602 M603 K604 | E594-N602 HydrophobicContact CB-CB 4.27Å; E594-M603 WeakPolarHBondContact CA-O 2.93Å; E594-K604 HydrophobicContact CG-CG 3.67Å; E594-K604 WeakPolarHBondContact OE1-CE 3.4Å |
| 595 | I | 86.2 | Confident | 83.9 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.2 | 176.9 | -57.9 | -178.8 | 0 | 0 | 0 | 108.5 | R592 I597 M603 T605 | R592-I595 HydrophobicContact CG-CD1 4.24Å; I595-I597 PolarHBondContact O-N 2.77Å; I595-M603 PolarHBondContact N-O 3.37Å; I595-M603 PolarHBondContact O-N 2.69Å; I595-T605 HydrophobicContact CD1-CG2 4.29Å; I595-T605 WeakPolarHBondContact CD1-OG1 3.37Å |
| 596 | P | 86.2 | Confident | 84.6 | Confident | 90 Ų | 90 | 65.5 Ų | 65.5 | 58% | 0.584 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 109.4 | 174.2 | 28.3 | -33.2 | 0 | 0 | 0 | 110.2 | ||
| 597 | I | 84.5 | Confident | 85.3 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.4 | 177.5 | -59 | 165.2 | 0 | 0 | 0 | 109.7 | R562 M563 I595 G599 K600 G601 M603 | R562-I597 HydrophobicContact CB-CG2 3.8Å; R562-I597 HydrophobicContact CG-CG2 3.95Å; M563-I597 HydrophobicContact CE-CD1 3.16Å; M563-I597 HydrophobicContact CE-CG1 4.07Å; I595-I597 PolarHBondContact O-N 2.77Å; I597-G599 PolarHBondContact O-N 3.35Å; I597-G599 VanDerWaalsContact O-N 3.13Å; I597-K600 HydrophobicContact CB-CB 4.16Å; I597-K600 HydrophobicContact CG2-CB 4.21Å; I597-K600 HydrophobicContact CG2-CG 4.41Å; I597-K600 PolarHBondContact O-N 2.73Å; I597-G601 PolarHBondContact N-O 2.75Å; I597-G601 PolarHBondContact O-N 3.4Å; I597-M603 HydrophobicContact CD1-CB 3.51Å; I597-M603 HydrophobicContact CD1-CG 3.97Å; I597-M603 HydrophobicContact CD1-SD 3.52Å; I597-M603 VanDerWaalsContact CD1-SD 3.52Å; I597-M603 HydrophobicContact CG1-CB 4.41Å |
| 598 | K | 81 | Confident | 85.6 | Confident | 164 Ų | 164 | 65 Ų | 65 | 71% | 0.713 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 117.9 | 176.7 | -174.6 | 176.7 | 178 | 178.8 | 0 | 111.3 | ||
| 599 | G | 78.1 | Confident | 85.5 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 89% | 0.887 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | -12.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | I597 | I597-G599 PolarHBondContact O-N 3.35Å; I597-G599 VanDerWaalsContact O-N 3.13Å |
| 600 | K | 79.8 | Confident | 85 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 42% | 0.422 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -22.3 | 179 | -71.7 | -71.6 | -174 | 166.2 | 0 | 113.7 | D555 T559 I597 | D555-K600 WeakPolarHBondContact OD2-CE 3.44Å; D555-K600 IonicContact OD2-NZ 3.51Å; D555-K600 PolarHBondContact OD2-NZ 3.49Å; T559-K600 WeakPolarHBondContact OG1-CE 3.45Å; I597-K600 HydrophobicContact CB-CB 4.16Å; I597-K600 HydrophobicContact CG2-CB 4.21Å; I597-K600 HydrophobicContact CG2-CG 4.41Å; I597-K600 PolarHBondContact O-N 2.73Å |
| 601 | G | 84.5 | Confident | 84.3 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.4 | -155.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I597 M603 | I597-G601 PolarHBondContact N-O 2.75Å; I597-G601 PolarHBondContact O-N 3.4Å; G601-M603 PolarHBondContact O-N 2.67Å |
| 602 | N | 85.9 | Confident | 83.3 | Confident | 109 Ų | 109 | 62.8 Ų | 62.8 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 121.8 | 176.2 | -69.5 | -9.8 | 0 | 0 | 0 | 109.5 | E594 | E594-N602 HydrophobicContact CB-CB 4.27Å |
| 603 | M | 85.3 | Confident | 82 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 15% | 0.153 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.8 | -178.4 | -177.7 | 173.1 | 156.7 | 0 | 0 | 109.7 | T559 M563 E594 I595 I597 G601 | T559-M603 HydrophobicContact CG2-CE 4.47Å; T559-M603 HydrophobicContact CG2-SD 4.49Å; M563-M603 HydrophobicContact SD-CE 4.49Å; E594-M603 WeakPolarHBondContact CA-O 2.93Å; I595-M603 PolarHBondContact N-O 3.37Å; I595-M603 PolarHBondContact O-N 2.69Å; I597-M603 HydrophobicContact CD1-CB 3.51Å; I597-M603 HydrophobicContact CD1-CG 3.97Å; I597-M603 HydrophobicContact CD1-SD 3.52Å; I597-M603 VanDerWaalsContact CD1-SD 3.52Å; I597-M603 HydrophobicContact CG1-CB 4.41Å; G601-M603 PolarHBondContact O-N 2.67Å |
| 604 | K | 88.2 | Confident | 80.3 | Confident | 89 Ų | 89 | 70.7 Ų | 70.7 | 39% | 0.387 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 132.3 | 172.8 | -69.6 | 179.5 | -177.2 | 172.1 | 0 | 110 | E576 E594 Y606 | E576-K604 HydrophobicContact CB-CB 4.48Å; E576-K604 PolarHBondContact N-O 3.32Å; E594-K604 HydrophobicContact CG-CG 3.67Å; E594-K604 WeakPolarHBondContact OE1-CE 3.4Å; K604-Y606 HydrophobicContact CB-CE2 4.43Å |
| 605 | T | 89.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 155.5 | -177.9 | 58.4 | 0 | 0 | 0 | 0 | 110.4 | M563 H573 R592 G593 I595 | M563-T605 HydrophobicContact CE-CG2 4.09Å; M563-T605 HydrophobicContact SD-CG2 3.93Å; H573-T605 WeakPolarHBondContact NE2-CB 3.3Å; H573-T605 PolarHBondContact NE2-OG1 2.99Å; R592-T605 PolarHBondContact N-O 3.01Å; G593-T605 PolarHBondContact O-N 3.39Å; G593-T605 VanDerWaalsContact O-N 3.13Å; G593-T605 PolarHBondContact O-OG1 3.48Å; I595-T605 HydrophobicContact CD1-CG2 4.29Å; I595-T605 WeakPolarHBondContact CD1-OG1 3.37Å |
| 606 | Y | 91.1 | Very high | 76.7 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 19% | 0.188 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 155.8 | -176.7 | -56.3 | -102.3 | 0 | 0 | 0 | 110.5 | H573 I574 E576 A579 V589 E590 C591 K604 | H573-Y606 PolarHBondContact CD2-O 2.76Å; I574-Y606 WeakPolarHBondContact CG1-O 3.29Å; I574-Y606 PolarHBondContact N-O 3Å; I574-Y606 PolarHBondContact O-N 3Å; E576-Y606 HydrophobicContact CB-CE2 3.97Å; E576-Y606 HydrophobicContact CG-CE2 4.17Å; A579-Y606 HydrophobicContact CB-CD2 3.69Å; A579-Y606 HydrophobicContact CB-CE2 4.06Å; A579-Y606 HydrophobicContact CB-CG 4Å; V589-Y606 HydrophobicContact CG1-CD1 3.7Å; V589-Y606 HydrophobicContact CG1-CG 3.78Å; E590-Y606 CarbonylContact O-C 3.56Å; E590-Y606 WeakPolarHBondContact O-CA 3.35Å; E590-Y606 WeakPolarHBondContact O-CB 3.48Å; C591-Y606 HydrophobicContact CB-CD1 3.81Å; C591-Y606 HydrophobicContact CB-CE1 3.71Å; K604-Y606 HydrophobicContact CB-CE2 4.43Å |
| 607 | L | 91.3 | Very high | 75 | Confident | 13 Ų | 13 | 69.3 Ų | 69.3 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.7 | 173.1 | -66.3 | 171.3 | 0 | 0 | 0 | 108.6 | V568 K571 V572 H573 V589 E590 | V568-L607 HydrophobicContact CG2-CD1 4.35Å; V568-L607 HydrophobicContact CG2-CD2 4.46Å; K571-L607 HydrophobicContact CB-CD2 4.29Å; K571-L607 HydrophobicContact CD-CD1 4.31Å; V572-L607 WeakPolarHBondContact O-CA 3.35Å; H573-L607 HydrophobicContact CB-CD2 3.98Å; V589-L607 CarbonylContact C-O 3.56Å; V589-L607 WeakPolarHBondContact CA-O 3.35Å; E590-L607 PolarHBondContact N-O 2.77Å; E590-L607 PolarHBondContact O-N 2.83Å |
| 608 | V | 87.8 | Confident | 73.3 | Confident | 3 Ų | 3 | 76.6 Ų | 76.6 | 2% | 0.018 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 120.9 | 171 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | I489 V572 I574 Y587 E588 V589 | I489-V608 HydrophobicContact CD1-CG2 4.31Å; I489-V608 HydrophobicContact CG2-CG1 4.06Å; V572-V608 HydrophobicContact CB-CB 4.18Å; V572-V608 PolarHBondContact O-N 3.37Å; I574-V608 HydrophobicContact CD1-CG2 3.71Å; I574-V608 HydrophobicContact CG1-CG2 4.23Å; I574-V608 HydrophobicContact CG2-CG2 3.82Å; Y587-V608 HydrophobicContact CD1-CG1 4.49Å; E588-V608 WeakPolarHBondContact O-CA 3.42Å; V589-V608 HydrophobicContact CG2-CG2 4.5Å |
| 609 | T | 78.7 | Confident | 71.5 | Confident | 71 Ų | 71 | 70.4 Ų | 70.4 | 44% | 0.436 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -23.6 | -179.3 | 46.8 | 0 | 0 | 0 | 0 | 113.1 | E588 E590 | E588-T609 VanDerWaalsContact CB-OG1 3.27Å; E588-T609 WeakPolarHBondContact CB-OG1 3.43Å; E588-T609 PolarHBondContact O-N 2.87Å; E588-T609 PolarHBondContact O-OG1 2.86Å; E590-T609 HydrophobicContact CB-CG2 4.44Å |
| 610 | G | 76.5 | Confident | 70.3 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166 | -168 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E588 | E588-G610 PolarHBondContact N-O 3.03Å |
| 611 | R | 71.3 | Confident | 69 | Low | 76 Ų | 76 | 68 Ų | 68 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 138.4 | 177.7 | 179.5 | 177.9 | 170.8 | 178.4 | -3.7 | 110 | D490 Y587 | D490-R611 IonicContact OD1-NH1 3.18Å; Y587-R611 HydrophobicContact CD1-CB 4.29Å; Y587-R611 HydrophobicContact CE1-CB 4.32Å; Y587-R611 HydrophobicContact CE1-CG 4.44Å |
| 612 | K | 66.1 | Low | 67.5 | Low | 111 Ų | 111 | 72 Ų | 72 | 48% | 0.483 | 37% | 0.372 | S | S | . | . | trans | -74.6 | 123.8 | 172 | -66.5 | -175.1 | -178.8 | -179.2 | 0 | 109.8 | P586 E588 E614 | P586-K612 HydrophobicContact CB-CB 4.42Å; P586-K612 PolarHBondContact O-N 3.41Å; E588-K612 HydrophobicContact CG-CD 4.43Å; E588-K612 HydrophobicContact CG-CG 3.81Å; E588-K612 VanDerWaalsContact OE1-CE 3.27Å; E588-K612 WeakPolarHBondContact OE1-CE 3.33Å; E588-K612 WeakPolarHBondContact OE1-CG 3.5Å; K612-E614 VanDerWaalsContact C-N 3.26Å; K612-E614 PolarHBondContact O-N 2.85Å | ||
| 613 | P | 56.9 | Low | 65.6 | Low | 119 Ų | 119 | 70 Ų | 70 | 77% | 0.773 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -20.6 | -174 | 24.5 | -32.5 | 0 | 0 | 0 | 114.1 | ||
| 614 | E | 50.4 | Low | 63.5 | Low | 178 Ų | 178 | 70 Ų | 70 | 83% | 0.832 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 22.9 | -165.5 | -69.5 | 162 | 168 | 0 | 0 | 114.8 | K612 | K612-E614 VanDerWaalsContact C-N 3.26Å; K612-E614 PolarHBondContact O-N 2.85Å |
| 615 | F | 49.4 | Very low | 61.5 | Low | 78 Ų | 78 | 69.6 Ų | 69.6 | 34% | 0.342 | 39% | 0.393 | S | S | . | . | trans | -89.2 | 125 | -176.8 | -169.6 | -104.3 | 0 | 0 | 0 | 113.9 | P586 L617 | P586-F615 HydrophobicContact CB-CB 3.24Å; P586-F615 HydrophobicContact CB-CD1 3.69Å; P586-F615 HydrophobicContact CB-CD2 3.93Å; P586-F615 HydrophobicContact CB-CE1 4.43Å; P586-F615 HydrophobicContact CB-CG 3.38Å; P586-F615 HydrophobicContact CG-CB 3.65Å; P586-F615 HydrophobicContact CG-CD1 3.57Å; P586-F615 HydrophobicContact CG-CE1 4.34Å; P586-F615 HydrophobicContact CG-CG 3.77Å; F615-L617 HydrophobicContact CE1-CD2 4.2Å; F615-L617 HydrophobicContact CE1-CG 3.98Å | ||
| 616 | V | 47.8 | Very low | 59.8 | Low | 72 Ų | 72 | 73.7 Ų | 73.7 | 44% | 0.436 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.6 | 178.5 | -155.5 | 0 | 0 | 0 | 0 | 109.1 | S625 R626 | V616-S625 WeakPolarHBondContact CG1-OG 3.37Å; V616-R626 CarbonylContact C-O 3.51Å; V616-R626 WeakPolarHBondContact CA-O 3.35Å; V616-R626 VanDerWaalsContact CG1-O 3.27Å; V616-R626 WeakPolarHBondContact CG1-O 3.21Å |
| 617 | L | 51.2 | Low | 58.3 | Low | 50 Ų | 50 | 74.9 Ų | 74.9 | 26% | 0.262 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 129.8 | 171.6 | -92.6 | 169.2 | 0 | 0 | 0 | 109.2 | F615 S625 R626 F628 V631 | F615-L617 HydrophobicContact CE1-CD2 4.2Å; F615-L617 HydrophobicContact CE1-CG 3.98Å; L617-S625 CarbonylContact O-C 3.6Å; L617-S625 WeakPolarHBondContact O-CA 3.46Å; L617-R626 PolarHBondContact N-O 3.31Å; L617-R626 PolarHBondContact O-N 3.39Å; L617-F628 HydrophobicContact CD1-CD2 3.58Å; L617-F628 HydrophobicContact CD1-CE2 4.28Å; L617-F628 HydrophobicContact CG-CD2 4.42Å; L617-V631 HydrophobicContact CD1-CB 4.24Å; L617-V631 HydrophobicContact CD1-CG1 4.26Å; L617-V631 HydrophobicContact CD1-CG2 3.87Å |
| 618 | Q | 47.5 | Very low | 57 | Low | 157 Ų | 157 | 74.3 Ų | 74.3 | 73% | 0.734 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 113.8 | 169.3 | -71 | 179.8 | 1.4 | 0 | 0 | 109 | T620 | Q618-T620 PolarHBondContact O-N 2.99Å |
| 619 | D | 43.6 | Very low | 55.9 | Low | 34 Ų | 34 | 75.6 Ų | 75.6 | 18% | 0.182 | 43% | 0.426 | C | S | . | . | trans | -68.5 | 115.4 | 176.5 | -176.9 | -10 | 0 | 0 | 0 | 109.7 | T621 G623 G624 R626 | D619-T621 PolarHBondContact O-N 3.31Å; D619-T621 VanDerWaalsContact O-N 3.11Å; D619-T621 PolarHBondContact OD1-N 2.85Å; D619-T621 PolarHBondContact OD1-OG1 3.11Å; D619-G623 WeakPolarHBondContact O-CA 3.07Å; D619-G623 PolarHBondContact O-N 3.47Å; D619-G624 WeakPolarHBondContact CB-O 3.45Å; D619-G624 PolarHBondContact N-O 3.36Å; D619-R626 IonicContact OD2-CZ 3.53Å; D619-R626 IonicContact OD2-NE 3.61Å; D619-R626 PolarHBondContact OD2-NE 2.91Å; D619-R626 IonicContact OD2-NH2 2.81Å; D619-R626 PolarHBondContact OD2-NH2 3.49Å | ||
| 620 | T | 53.9 | Low | 55.3 | Low | 69 Ų | 69 | 76.5 Ų | 76.5 | 42% | 0.423 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.6 | -178.4 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | Q618 I818 | Q618-T620 PolarHBondContact O-N 2.99Å; T620-I818 HydrophobicContact CG2-CG2 3.98Å |
| 621 | T | 52.3 | Low | 54.9 | Low | 64 Ų | 64 | 77.3 Ų | 77.3 | 39% | 0.393 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -38.4 | -176.2 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | D619 R816 | D619-T621 PolarHBondContact O-N 3.31Å; D619-T621 VanDerWaalsContact O-N 3.11Å; D619-T621 PolarHBondContact OD1-N 2.85Å; D619-T621 PolarHBondContact OD1-OG1 3.11Å; T621-R816 PolarHBondContact OG1-NH1 2.83Å |
| 622 | D | 52.2 | Low | 54.8 | Low | 125 Ų | 125 | 74.2 Ų | 74.2 | 67% | 0.668 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 3 | -179.9 | -76.8 | -26.7 | 0 | 0 | 0 | 114 | G624 | D622-G624 PolarHBondContact O-N 3.48Š|
| 623 | G | 46.9 | Very low | 55 | Low | 67 Ų | 67 | 75.3 Ų | 75.3 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | trans | 64.1 | 8.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D619 | D619-G623 WeakPolarHBondContact O-CA 3.07Å; D619-G623 PolarHBondContact O-N 3.47Å | ||
| 624 | G | 40.6 | Very low | 55.5 | Low | 31 Ų | 31 | 73.7 Ų | 73.7 | 32% | 0.32 | 41% | 0.406 | S | S | . | . | trans | -80 | 136 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | D619 D622 R626 | D619-G624 WeakPolarHBondContact CB-O 3.45Å; D619-G624 PolarHBondContact N-O 3.36Å; D622-G624 PolarHBondContact O-N 3.48Å; G624-R626 PolarHBondContact O-N 3.35Å | ||
| 625 | S | 46.5 | Very low | 56.4 | Low | 80 Ų | 80 | 66 Ų | 66 | 56% | 0.559 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 115 | 169.8 | -129.4 | 0 | 0 | 0 | 0 | 108.9 | V616 L617 | V616-S625 WeakPolarHBondContact CG1-OG 3.37Å; L617-S625 CarbonylContact O-C 3.6Å; L617-S625 WeakPolarHBondContact O-CA 3.46Å |
| 626 | R | 54.7 | Low | 57.2 | Low | 86 Ų | 86 | 65.5 Ų | 65.5 | 33% | 0.325 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145.8 | 177.5 | -60.1 | -167.5 | -170.4 | -164.8 | 4.7 | 111.8 | V616 L617 D619 G624 V631 E634 | V616-R626 CarbonylContact C-O 3.51Å; V616-R626 WeakPolarHBondContact CA-O 3.35Å; V616-R626 VanDerWaalsContact CG1-O 3.27Å; V616-R626 WeakPolarHBondContact CG1-O 3.21Å; L617-R626 PolarHBondContact N-O 3.31Å; L617-R626 PolarHBondContact O-N 3.39Å; D619-R626 IonicContact OD2-CZ 3.53Å; D619-R626 IonicContact OD2-NE 3.61Å; D619-R626 PolarHBondContact OD2-NE 2.91Å; D619-R626 IonicContact OD2-NH2 2.81Å; D619-R626 PolarHBondContact OD2-NH2 3.49Å; G624-R626 PolarHBondContact O-N 3.35Å; R626-V631 HydrophobicContact CB-CG2 4.33Å; R626-E634 IonicContact NH1-OE1 3.8Å; R626-E634 IonicContact NH1-OE2 2.77Å; R626-E634 PolarHBondContact NH1-OE2 3.44Å |
| 627 | N | 59.5 | Low | 57.9 | Low | 73 Ų | 73 | 68.5 Ų | 68.5 | 39% | 0.39 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 135.8 | 174.3 | -171.1 | -32.1 | 0 | 0 | 0 | 109.9 | A629 D630 V631 | N627-A629 PolarHBondContact O-N 3.44Å; N627-A629 PolarHBondContact OD1-N 3.36Å; N627-D630 WeakPolarHBondContact CB-OD2 3.26Å; N627-D630 WeakPolarHBondContact O-CB 3.38Å; N627-D630 PolarHBondContact O-N 2.84Å; N627-V631 PolarHBondContact O-N 3.05Å |
| 628 | F | 63.9 | Low | 58.3 | Low | 1 Ų | 1 | 72 Ų | 72 | 0% | 0.004 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58 | -33.6 | 178.3 | -175.7 | -113.5 | 0 | 0 | 0 | 113.3 | A486 Y585 P586 Y587 L617 D630 V631 L632 | A486-F628 HydrophobicContact CB-CE1 4.26Å; A486-F628 HydrophobicContact CB-CZ 3.65Å; Y585-F628 HydrophobicContact CD1-CD2 4.3Å; Y585-F628 AromaticContact CD1-CE2 3.31Å; Y585-F628 HydrophobicContact CD1-CE2 3.31Å; Y585-F628 AromaticContact CD1-CZ 3.58Å; Y585-F628 HydrophobicContact CD1-CZ 3.58Å; Y585-F628 AromaticContact CE1-CE2 3.81Å; Y585-F628 HydrophobicContact CE1-CE2 3.81Å; Y585-F628 HydrophobicContact CE1-CZ 4.22Å; Y585-F628 HydrophobicContact CG-CE2 4.1Å; Y585-F628 AromaticContact CG-CZ 3.91Å; Y585-F628 HydrophobicContact CG-CZ 3.91Å; P586-F628 HydrophobicContact CG-CB 4.45Å; P586-F628 HydrophobicContact CG-CD1 4.11Å; P586-F628 HydrophobicContact CG-CG 4.29Å; Y587-F628 HydrophobicContact CE2-CE1 4.19Å; L617-F628 HydrophobicContact CD1-CD2 3.58Å; L617-F628 HydrophobicContact CD1-CE2 4.28Å; L617-F628 HydrophobicContact CG-CD2 4.42Å; F628-D630 VanDerWaalsContact C-N 3.27Å; F628-D630 PolarHBondContact O-N 2.88Å; F628-V631 PolarHBondContact O-N 3.45Å; F628-L632 HydrophobicContact CD1-CD1 3.85Å; F628-L632 HydrophobicContact CD1-CG 4.36Å; F628-L632 HydrophobicContact CE1-CD1 3.48Å; F628-L632 VanDerWaalsContact CE1-CD1 3.48Å; F628-L632 HydrophobicContact CE1-CD2 4.41Å; F628-L632 HydrophobicContact CE1-CG 3.97Å; F628-L632 HydrophobicContact CZ-CD1 4.05Å; F628-L632 HydrophobicContact CZ-CD2 4.15Å; F628-L632 HydrophobicContact CZ-CG 4.06Å; F628-L632 PolarHBondContact O-N 3.33Å |
| 629 | A | 64.4 | Low | 58.4 | Low | 29 Ų | 29 | 71.6 Ų | 71.6 | 24% | 0.24 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.7 | -36.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N627 L632 K633 | N627-A629 PolarHBondContact O-N 3.44Å; N627-A629 PolarHBondContact OD1-N 3.36Å; A629-L632 PolarHBondContact O-N 3.1Å; A629-K633 WeakPolarHBondContact O-CG 3.42Å; A629-K633 PolarHBondContact O-N 2.57Å |
| 630 | D | 65.9 | Low | 58.8 | Low | 91 Ų | 91 | 72.5 Ų | 72.5 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.1 | -34.4 | 177.4 | -60.2 | -29.8 | 0 | 0 | 0 | 110.9 | N627 F628 K633 E634 | N627-D630 WeakPolarHBondContact CB-OD2 3.26Å; N627-D630 WeakPolarHBondContact O-CB 3.38Å; N627-D630 PolarHBondContact O-N 2.84Å; F628-D630 VanDerWaalsContact C-N 3.27Å; F628-D630 PolarHBondContact O-N 2.88Å; D630-K633 PolarHBondContact O-N 3.23Å; D630-E634 VanDerWaalsContact O-CB 3.32Å; D630-E634 WeakPolarHBondContact O-CB 3.49Å; D630-E634 PolarHBondContact O-N 3.26Å |
| 631 | V | 68.8 | Low | 58.2 | Low | 32 Ų | 32 | 77.4 Ų | 77.4 | 19% | 0.194 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 175 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | L483 L617 R626 N627 F628 E634 D635 | L483-V631 HydrophobicContact CD1-CG1 4.19Å; L617-V631 HydrophobicContact CD1-CB 4.24Å; L617-V631 HydrophobicContact CD1-CG1 4.26Å; L617-V631 HydrophobicContact CD1-CG2 3.87Å; R626-V631 HydrophobicContact CB-CG2 4.33Å; N627-V631 PolarHBondContact O-N 3.05Å; F628-V631 PolarHBondContact O-N 3.45Å; V631-E634 PolarHBondContact O-N 2.73Å; V631-D635 WeakPolarHBondContact O-CB 3.21Å; V631-D635 PolarHBondContact O-N 3.36Å |
| 632 | L | 68.8 | Low | 57.5 | Low | 11 Ų | 11 | 78.9 Ų | 78.9 | 6% | 0.058 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 173.7 | -73.7 | 170.8 | 0 | 0 | 0 | 111.6 | L483 A486 F628 A629 D635 L636 | L483-L632 HydrophobicContact CB-CD2 4.49Å; L483-L632 HydrophobicContact CD1-CD2 4.21Å; A486-L632 HydrophobicContact CB-CD2 4.12Å; F628-L632 HydrophobicContact CD1-CD1 3.85Å; F628-L632 HydrophobicContact CD1-CG 4.36Å; F628-L632 HydrophobicContact CE1-CD1 3.48Å; F628-L632 VanDerWaalsContact CE1-CD1 3.48Å; F628-L632 HydrophobicContact CE1-CD2 4.41Å; F628-L632 HydrophobicContact CE1-CG 3.97Å; F628-L632 HydrophobicContact CZ-CD1 4.05Å; F628-L632 HydrophobicContact CZ-CD2 4.15Å; F628-L632 HydrophobicContact CZ-CG 4.06Å; F628-L632 PolarHBondContact O-N 3.33Å; A629-L632 PolarHBondContact O-N 3.1Å; L632-D635 PolarHBondContact O-N 3.13Å; L632-L636 PolarHBondContact O-N 3.49Å |
| 633 | K | 69.7 | Low | 56.6 | Low | 135 Ų | 135 | 77 Ų | 77 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.4 | -36.4 | 174.5 | -75.3 | 178.5 | -179.2 | 178.3 | 0 | 113 | A629 D630 L636 L637 | A629-K633 WeakPolarHBondContact O-CG 3.42Å; A629-K633 PolarHBondContact O-N 2.57Å; D630-K633 PolarHBondContact O-N 3.23Å; K633-L636 VanDerWaalsContact O-CB 3.3Å; K633-L636 WeakPolarHBondContact O-CB 3.35Å; K633-L636 PolarHBondContact O-N 3.35Å; K633-L637 WeakPolarHBondContact O-CB 3.49Å; K633-L637 WeakPolarHBondContact O-CG 3.44Å; K633-L637 PolarHBondContact O-N 2.91Å |
| 634 | E | 68.2 | Low | 55.9 | Low | 85 Ų | 85 | 78 Ų | 78 | 40% | 0.397 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 176 | -170 | 179.9 | 173.7 | 0 | 0 | 110.8 | R626 D630 V631 L636 L637 K638 | R626-E634 IonicContact NH1-OE1 3.8Å; R626-E634 IonicContact NH1-OE2 2.77Å; R626-E634 PolarHBondContact NH1-OE2 3.44Å; D630-E634 VanDerWaalsContact O-CB 3.32Å; D630-E634 WeakPolarHBondContact O-CB 3.49Å; D630-E634 PolarHBondContact O-N 3.26Å; V631-E634 PolarHBondContact O-N 2.73Å; E634-L636 VanDerWaalsContact C-N 3.27Å; E634-L636 PolarHBondContact O-N 3.09Å; E634-L637 CarbonylContact O-C 3.48Å; E634-L637 PolarHBondContact O-N 3.41Å; E634-K638 PolarHBondContact O-N 3.08Å |
| 635 | D | 68.3 | Low | 55.4 | Low | 17 Ų | 17 | 84 Ų | 84 | 9% | 0.091 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.2 | -33 | 172.9 | -163.3 | 57.8 | 0 | 0 | 0 | 111.7 | K460 L483 H487 V631 L632 | K460-D635 WeakPolarHBondContact CD-O 3.42Å; K460-D635 WeakPolarHBondContact CE-O 3.41Å; K460-D635 PolarHBondContact NZ-O 3.01Å; L483-D635 HydrophobicContact CD1-CB 3.8Å; H487-D635 IonicContact CD2-OD2 3.67Å; H487-D635 IonicContact CE1-OD2 3.67Å; H487-D635 IonicContact NE2-OD2 2.66Å; H487-D635 PolarHBondContact NE2-OD2 3.33Å; V631-D635 WeakPolarHBondContact O-CB 3.21Å; V631-D635 PolarHBondContact O-N 3.36Å; L632-D635 PolarHBondContact O-N 3.13Å |
| 636 | L | 65.4 | Low | 54.7 | Low | 67 Ų | 67 | 87 Ų | 87 | 35% | 0.351 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 170.4 | -164.4 | 82.1 | 0 | 0 | 0 | 111.8 | N458 K460 L632 K633 E634 | N458-L636 WeakPolarHBondContact O-CD1 3.47Å; N458-L636 WeakPolarHBondContact O-CD2 3.33Å; K460-L636 WeakPolarHBondContact CE-O 3.4Å; K460-L636 HydrophobicContact CG-CD1 3.77Å; L632-L636 PolarHBondContact O-N 3.49Å; K633-L636 VanDerWaalsContact O-CB 3.3Å; K633-L636 WeakPolarHBondContact O-CB 3.35Å; K633-L636 PolarHBondContact O-N 3.35Å; E634-L636 VanDerWaalsContact C-N 3.27Å; E634-L636 PolarHBondContact O-N 3.09Å |
| 637 | L | 63.7 | Low | 53.5 | Low | 134 Ų | 134 | 87.6 Ų | 87.6 | 70% | 0.702 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -82.4 | -13.3 | -177.1 | -76.5 | 169.9 | 0 | 0 | 0 | 115.1 | K633 E634 D639 | K633-L637 WeakPolarHBondContact O-CB 3.49Å; K633-L637 WeakPolarHBondContact O-CG 3.44Å; K633-L637 PolarHBondContact O-N 2.91Å; E634-L637 CarbonylContact O-C 3.48Å; E634-L637 PolarHBondContact O-N 3.41Å; L637-D639 PolarHBondContact O-N 3.14Å |
| 638 | K | 59.2 | Low | 52.2 | Low | 125 Ų | 125 | 89.9 Ų | 89.9 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -61 | 98.1 | 164.6 | -78.9 | 176.8 | -172.4 | 166.7 | 0 | 106.1 | K460 E634 D640 | K460-K638 PolarHBondContact NZ-O 3.3Å; E634-K638 PolarHBondContact O-N 3.08Å; K638-D640 VanDerWaalsContact C-N 3.3Å; K638-D640 PolarHBondContact O-N 2.88Å |
| 639 | D | 50.5 | Low | 50.5 | Low | 148 Ų | 148 | 96.6 Ų | 96.6 | 79% | 0.791 | 52% | 0.519 | S | S | * | . | trans | -47.5 | 106.5 | 162.2 | -75.2 | -36.8 | 0 | 0 | 0 | 104.5 | L637 D641 | L637-D639 PolarHBondContact O-N 3.14Å; D639-D641 PolarHBondContact O-N 3.09Å | ||
| 640 | D | 52.1 | Low | 48.8 | Very low | 53 Ų | 53 | 97.8 Ų | 97.8 | 28% | 0.283 | 53% | 0.526 | S | S | . | . | trans | -49.9 | 140.4 | 165.1 | -62.9 | -38.4 | 0 | 0 | 0 | 105 | K460 H479 K638 I642 | K460-D640 IonicContact NZ-OD1 3.76Å; K460-D640 PolarHBondContact NZ-OD1 2.87Å; K460-D640 IonicContact NZ-OD2 3.96Å; H479-D640 IonicContact CD2-OD2 2.8Å; H479-D640 IonicContact CE1-OD2 3.69Å; H479-D640 IonicContact CG-OD2 3.33Å; H479-D640 IonicContact ND1-OD2 3.73Å; H479-D640 PolarHBondContact ND1-OD2 2.86Å; K638-D640 VanDerWaalsContact C-N 3.3Å; K638-D640 PolarHBondContact O-N 2.88Å; D640-I642 HydrophobicContact CB-CD1 4.41Å; D640-I642 HydrophobicContact CB-CG1 4.32Å; D640-I642 WeakPolarHBondContact O-CB 3.39Å; D640-I642 VanDerWaalsContact O-CG1 3.24Å; D640-I642 WeakPolarHBondContact O-CG1 3.35Å; D640-I642 PolarHBondContact O-N 3.37Å | ||
| 641 | D | 40.2 | Very low | 47.1 | Very low | 172 Ų | 172 | 96.8 Ų | 96.8 | 92% | 0.92 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -56.8 | 68.5 | 179.5 | -71.6 | -56.2 | 0 | 0 | 0 | 111.3 | D639 P643 | D639-D641 PolarHBondContact O-N 3.09Å; D641-P643 WeakPolarHBondContact O-CD 3.35Å |
| 642 | I | 38.6 | Very low | 45 | Very low | 94 Ų | 94 | 103.4 Ų | 103.4 | 48% | 0.482 | 56% | 0.556 | S | S | . | * | trans | -85.6 | 107.5 | 169 | -61.8 | 158.4 | 0 | 0 | 0 | 99.1 | D640 S644 | D640-I642 HydrophobicContact CB-CD1 4.41Å; D640-I642 HydrophobicContact CB-CG1 4.32Å; D640-I642 WeakPolarHBondContact O-CB 3.39Å; D640-I642 VanDerWaalsContact O-CG1 3.24Å; D640-I642 WeakPolarHBondContact O-CG1 3.35Å; D640-I642 PolarHBondContact O-N 3.37Å; I642-S644 PolarHBondContact O-N 3.08Å | ||
| 643 | P | 33.1 | Very low | 43 | Very low | 85 Ų | 85 | 111 Ų | 111 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | trans | -51.5 | 114.4 | 168.4 | -17.2 | 29 | 0 | 0 | 0 | 105 | D641 E645 | D641-P643 WeakPolarHBondContact O-CD 3.35Å; P643-E645 PolarHBondContact O-N 3.45Å | ||
| 644 | S | 31 | Very low | 40.9 | Very low | 89 Ų | 89 | 108.3 Ų | 108.3 | 62% | 0.622 | 59% | 0.587 | S | S | * | * | trans | -51.7 | 119.7 | 174 | 52 | 0 | 0 | 0 | 0 | 105.3 | I642 N646 | I642-S644 PolarHBondContact O-N 3.08Å; S644-N646 PolarHBondContact O-N 3.18Å | ||
| 645 | E | 30.8 | Very low | 38.9 | Very low | 157 Ų | 157 | 109.8 Ų | 109.8 | 73% | 0.734 | 60% | 0.596 | S | S | * | * | trans | -56.8 | 95.8 | 164 | -76.4 | -175.4 | 165 | 0 | 0 | 105.1 | P643 S647 | P643-E645 PolarHBondContact O-N 3.45Å; E645-S647 VanDerWaalsContact C-N 3.27Å; E645-S647 PolarHBondContact O-N 3.49Å | ||
| 646 | N | 32.7 | Very low | 36.8 | Very low | 143 Ų | 143 | 114.8 Ų | 114.8 | 77% | 0.765 | 62% | 0.623 | S | S | * | * | trans | -57.6 | 106.1 | 160 | -80.9 | -22.6 | 0 | 0 | 0 | 104.3 | S644 D648 | S644-N646 PolarHBondContact O-N 3.18Å; N646-D648 PolarHBondContact O-N 3.2Å | ||
| 647 | S | 29.5 | Very low | 35 | Very low | 99 Ų | 99 | 118.2 Ų | 118.2 | 69% | 0.692 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -35.1 | 107.3 | 158.4 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | E645 | E645-S647 VanDerWaalsContact C-N 3.27Å; E645-S647 PolarHBondContact O-N 3.49Å |
| 648 | D | 31.2 | Very low | 33.3 | Very low | 120 Ų | 120 | 115.8 Ų | 115.8 | 64% | 0.642 | 64% | 0.635 | S | S | * | * | 173.8 | 76.2 | 115.5 | -83.2 | -14.7 | 0 | 0 | 0 | 109.3 | N646 | N646-D648 PolarHBondContact O-N 3.2Š| |||
| 649 | D | 29.5 | Very low | 31.8 | Very low | 142 Ų | 142 | 117.6 Ų | 117.6 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | trans | -86.4 | 7.4 | 166.9 | -137.9 | 26.7 | 0 | 0 | 0 | 111.7 | R384 | R384-D649 IonicContact NH1-OD2 2.73Å; R384-D649 IonicContact NH2-OD2 2.57Å | ||
| 650 | S | 28.3 | Very low | 30.6 | Very low | 55 Ų | 55 | 114.9 Ų | 114.9 | 39% | 0.385 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -98 | 100.3 | 158 | 68.8 | 0 | 0 | 0 | 0 | 106.7 | K652 | S650-K652 PolarHBondContact O-N 3.43Š|
| 651 | A | 29.8 | Very low | 29.4 | Very low | 69 Ų | 69 | 118.6 Ų | 118.6 | 57% | 0.57 | 68% | 0.679 | S | S | * | * | trans | -48.1 | 98.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | F653 | A651-F653 HydrophobicContact CB-CD2 3.76Å; A651-F653 HydrophobicContact CB-CE2 4.02Å; A651-F653 PolarHBondContact O-N 3.34Å | ||
| 652 | K | 25.4 | Very low | 28.7 | Very low | 171 Ų | 171 | 113.5 Ų | 113.5 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | trans | -61.8 | 81.7 | 153.8 | -76.4 | 179.5 | -179.4 | 169.1 | 0 | 104 | S650 S654 | S650-K652 PolarHBondContact O-N 3.43Å; K652-S654 PolarHBondContact O-N 3.22Å | ||
| 653 | F | 26.2 | Very low | 28.1 | Very low | 171 Ų | 171 | 115.5 Ų | 115.5 | 75% | 0.75 | 68% | 0.684 | S | S | * | * | trans | -62.4 | 64 | 143.1 | -85 | -84.8 | 0 | 0 | 0 | 106.3 | A651 I655 | A651-F653 HydrophobicContact CB-CD2 3.76Å; A651-F653 HydrophobicContact CB-CE2 4.02Å; A651-F653 PolarHBondContact O-N 3.34Å; F653-I655 HydrophobicContact CD1-CG1 4.44Å; F653-I655 PolarHBondContact O-N 3.13Å | ||
| 654 | S | 24.7 | Very low | 27.6 | Very low | 78 Ų | 78 | 118.2 Ų | 118.2 | 55% | 0.545 | 70% | 0.699 | S | S | . | * | trans | -65.7 | 85.2 | 145.3 | 49.8 | 0 | 0 | 0 | 0 | 103.7 | K652 N656 | K652-S654 PolarHBondContact O-N 3.22Å; S654-N656 PolarHBondContact O-N 3.03Å | ||
| 655 | I | 26.5 | Very low | 27.3 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 60% | 0.6 | 71% | 0.711 | S | S | * | * | trans | -59.3 | 89.4 | 151.1 | -59.6 | 175.2 | 0 | 0 | 0 | 103 | F653 L657 | F653-I655 HydrophobicContact CD1-CG1 4.44Å; F653-I655 PolarHBondContact O-N 3.13Å; I655-L657 HydrophobicContact CG2-CB 4.06Å; I655-L657 HydrophobicContact CG2-CD1 3.35Å; I655-L657 HydrophobicContact CG2-CG 4.34Å; I655-L657 PolarHBondContact O-N 3.28Å | ||
| 656 | N | 24.4 | Very low | 26.9 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 65% | 0.652 | 72% | 0.718 | S | S | * | * | trans | -65.3 | 81 | 161.8 | -82.8 | -15.7 | 0 | 0 | 0 | 105 | S654 S658 | S654-N656 PolarHBondContact O-N 3.03Å; N656-S658 PolarHBondContact O-N 3.1Å | ||
| 657 | L | 27.5 | Very low | 26.4 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | trans | -76.2 | 56.6 | 166.2 | -138.5 | 96.6 | 0 | 0 | 0 | 107.3 | I655 | I655-L657 HydrophobicContact CG2-CB 4.06Å; I655-L657 HydrophobicContact CG2-CD1 3.35Å; I655-L657 HydrophobicContact CG2-CG 4.34Å; I655-L657 PolarHBondContact O-N 3.28Å | ||
| 658 | S | 28.5 | Very low | 26.2 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 58% | 0.58 | 73% | 0.729 | S | S | * | * | trans | -149.3 | 54.2 | 177.9 | 64.6 | 0 | 0 | 0 | 0 | 108.3 | N656 | N656-S658 PolarHBondContact O-N 3.1Š| ||
| 659 | D | 27.1 | Very low | 25.9 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | trans | -158.3 | 54.1 | 163.5 | -90.9 | -29.6 | 0 | 0 | 0 | 109.7 | ||||
| 660 | A | 26 | Very low | 25.7 | Very low | 91 Ų | 91 | 126.9 Ų | 126.9 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -142.8 | 106.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 661 | S | 27.1 | Very low | 25.6 | Very low | 130 Ų | 130 | 129 Ų | 129 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 82.3 | 111.9 | 170.7 | 79.2 | 0 | 0 | 0 | 0 | 118.2 | ||
| 662 | G | 26 | Very low | 25.3 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | 105 | 95.8 | 128.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 663 | T | 26 | Very low | 25.4 | Very low | 136 Ų | 136 | 129 Ų | 129 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 40.7 | 100.8 | 142.2 | 53.8 | 0 | 0 | 0 | 0 | 117.1 | E665 | T663-E665 PolarHBondContact O-N 2.91Š| ||
| 664 | T | 22.6 | Very low | 25.3 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -50.8 | 97.3 | 158.2 | 45 | 0 | 0 | 0 | 0 | 111 | ||||
| 665 | E | 23.9 | Very low | 25.5 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -105.2 | 119.2 | 138.8 | -74.8 | -173.6 | 168.6 | 0 | 0 | 105.5 | T663 E667 | T663-E665 PolarHBondContact O-N 2.91Å; E665-E667 PolarHBondContact O-N 3.18Å | ||
| 666 | E | 22.3 | Very low | 25.3 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -68.5 | 107.8 | -176.4 | -68.5 | 173.1 | 147.7 | 0 | 0 | 110 | ||||
| 667 | E | 22.8 | Very low | 25.3 | Very low | 193 Ų | 193 | 133.7 Ų | 133.7 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -120.1 | 117.9 | 153.1 | -83.9 | -173.7 | 162.5 | 0 | 0 | 108.4 | E665 | E665-E667 PolarHBondContact O-N 3.18Š| ||
| 668 | S | 24.3 | Very low | 25.1 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 143.7 | -174.9 | 14.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 669 | P | 25.2 | Very low | 24.7 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 142.5 | -172.7 | 32.2 | -33.5 | 0 | 0 | 0 | 112.5 | ||
| 670 | P | 24.9 | Very low | 24.5 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 131.1 | 179.6 | 30.4 | -31.2 | 0 | 0 | 0 | 111.5 | ||
| 671 | A | 26.4 | Very low | 24.3 | Very low | 98 Ų | 98 | 145.9 Ų | 145.9 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 137.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 672 | S | 23.6 | Very low | 24.1 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 131.8 | 178.4 | 42.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 673 | P | 27.3 | Very low | 23.9 | Very low | 130 Ų | 130 | 151.6 Ų | 151.6 | 84% | 0.844 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 147.5 | 178.4 | 13 | 0.4 | 0 | 0 | 0 | 112.6 | ||
| 674 | K | 24.6 | Very low | 23.6 | Very low | 200 Ų | 200 | 151.2 Ų | 151.2 | 87% | 0.87 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 136.8 | 171.5 | -71.5 | 176.7 | 176.3 | 175.2 | 0 | 109.5 | ||
| 675 | D | 27.7 | Very low | 23.5 | Very low | 162 Ų | 162 | 153.3 Ų | 153.3 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | -84.2 | 111.1 | -177.5 | -156.3 | 10.9 | 0 | 0 | 0 | 109 | ||||
| 676 | D | 24.2 | Very low | 23.4 | Very low | 160 Ų | 160 | 154.5 Ų | 154.5 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | trans | -105.9 | 118.9 | 167.8 | -76.4 | -36.7 | 0 | 0 | 0 | 107 | ||||
| 677 | G | 22.9 | Very low | 23.4 | Very low | 66 Ų | 66 | 151 Ų | 151 | 68% | 0.68 | 83% | 0.831 | S | S | * | * | trans | -178.8 | 60.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 678 | E | 22.9 | Very low | 23.4 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | 70.2 | 121.3 | 142.8 | -62.9 | -176.8 | 161.4 | 0 | 0 | 120.8 | L680 | E678-L680 PolarHBondContact O-N 3.09Š| ||
| 679 | E | 21.7 | Very low | 23.2 | Very low | 198 Ų | 198 | 155 Ų | 155 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -53.6 | 116.4 | 171.1 | -64.8 | 171 | 140 | 0 | 0 | 112.1 | ||||
| 680 | L | 23.1 | Very low | 23.1 | Very low | 169 Ų | 169 | 157.5 Ų | 157.5 | 89% | 0.885 | 84% | 0.836 | S | S | * | * | trans | -115.5 | 114 | 162.6 | -81.5 | 162.9 | 0 | 0 | 0 | 109.4 | E678 | E678-L680 PolarHBondContact O-N 3.09Š| ||
| 681 | E | 21.8 | Very low | 23 | Very low | 175 Ų | 175 | 158.4 Ų | 158.4 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -51.5 | 132 | -169.1 | -64.6 | 176.8 | 137.6 | 0 | 0 | 114.6 | N683 | E681-N683 PolarHBondContact O-N 3.37Š| ||
| 682 | M | 21.1 | Very low | 22.8 | Very low | 173 Ų | 173 | 164.9 Ų | 164.9 | 85% | 0.852 | 84% | 0.837 | S | S | * | * | trans | -64.5 | 88.8 | 171 | -76 | -122.6 | -68.9 | 0 | 0 | 111.9 | T684 | M682-T684 PolarHBondContact O-N 3.45Å; M682-T684 VanDerWaalsContact O-N 3.14Å | ||
| 683 | N | 22.4 | Very low | 22.6 | Very low | 143 Ų | 143 | 169.4 Ų | 169.4 | 77% | 0.765 | 84% | 0.843 | S | S | * | * | trans | -79.5 | 92.2 | 165.5 | -100.5 | -42.8 | 0 | 0 | 0 | 110.5 | E681 K685 | E681-N683 PolarHBondContact O-N 3.37Å; N683-K685 PolarHBondContact O-N 3.16Å | ||
| 684 | T | 19.9 | Very low | 22.5 | Very low | 128 Ų | 128 | 168.2 Ų | 168.2 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | trans | -66.8 | 93.1 | 169 | 31.4 | 0 | 0 | 0 | 0 | 110.5 | M682 | M682-T684 PolarHBondContact O-N 3.45Å; M682-T684 VanDerWaalsContact O-N 3.14Å | ||
| 685 | K | 21.5 | Very low | 22.4 | Very low | 186 Ų | 186 | 164.4 Ų | 164.4 | 81% | 0.809 | 84% | 0.836 | S | S | * | * | trans | -108.2 | 105.6 | 163.9 | -81.9 | -175.4 | 177.5 | 175.2 | 0 | 110.6 | N683 S687 | N683-K685 PolarHBondContact O-N 3.16Å; K685-S687 PolarHBondContact O-N 2.9Å | ||
| 686 | K | 21 | Very low | 22.1 | Very low | 213 Ų | 213 | 168.4 Ų | 168.4 | 93% | 0.926 | 84% | 0.839 | S | S | * | * | trans | -42.1 | 119.6 | 160.5 | -70.6 | 171 | 174.7 | 175 | 0 | 109.9 | ||||
| 687 | S | 22.6 | Very low | 22.1 | Very low | 114 Ų | 114 | 166.6 Ų | 166.6 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | -123.8 | 124 | 163.2 | 58.3 | 0 | 0 | 0 | 0 | 108.9 | K685 | K685-S687 PolarHBondContact O-N 2.9Š| ||
| 688 | E | 22.5 | Very low | 22.1 | Very low | 186 Ų | 186 | 166.9 Ų | 166.9 | 87% | 0.869 | 84% | 0.842 | S | S | * | * | trans | -62.8 | 141.9 | -167.4 | -67.8 | 160 | 137 | 0 | 0 | 113.2 | Q690 | E688-Q690 PolarHBondContact O-N 3.49Š| ||
| 689 | K | 21.1 | Very low | 22.2 | Very low | 205 Ų | 205 | 163.5 Ų | 163.5 | 89% | 0.891 | 84% | 0.839 | S | S | * | * | trans | -57.5 | 111.6 | 162.9 | -77.9 | 174.6 | 172.4 | 177.1 | 0 | 108.8 | ||||
| 690 | Q | 22.5 | Very low | 22.3 | Very low | 172 Ų | 172 | 165.7 Ų | 165.7 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -106.6 | 111.2 | 157.9 | -86.8 | -171.7 | -8.8 | 0 | 0 | 109.7 | E688 R692 | E688-Q690 PolarHBondContact O-N 3.49Å; Q690-R692 PolarHBondContact O-N 3.32Å | ||
| 691 | D | 22 | Very low | 22.2 | Very low | 149 Ų | 149 | 169.5 Ų | 169.5 | 80% | 0.797 | 84% | 0.842 | S | S | * | * | trans | -50.1 | 115.8 | 168.8 | -69.6 | -54.3 | 0 | 0 | 0 | 111.5 | ||||
| 692 | R | 21.8 | Very low | 22.3 | Very low | 234 Ų | 234 | 166.4 Ų | 166.4 | 88% | 0.883 | 84% | 0.84 | S | S | * | * | trans | -115 | 86.2 | 157.6 | -75.4 | -170 | 175.8 | -173.2 | 0.3 | 109.1 | Q690 S694 | Q690-R692 PolarHBondContact O-N 3.32Å; R692-S694 PolarHBondContact O-N 3.39Å | ||
| 693 | K | 21.1 | Very low | 22.5 | Very low | 206 Ų | 206 | 163.5 Ų | 163.5 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | trans | -61.4 | 111.5 | 156.9 | -73.9 | 175.9 | 176 | 173 | 0 | 108.1 | ||||
| 694 | S | 23.8 | Very low | 22.6 | Very low | 105 Ų | 105 | 166.7 Ų | 166.7 | 73% | 0.734 | 84% | 0.843 | S | S | * | * | trans | -136.4 | 98 | 157.2 | 62 | 0 | 0 | 0 | 0 | 109 | R692 R696 | R692-S694 PolarHBondContact O-N 3.39Å; S694-R696 PolarHBondContact O-N 3.5Å | ||
| 695 | S | 22.8 | Very low | 22.9 | Very low | 120 Ų | 120 | 165.7 Ų | 165.7 | 84% | 0.839 | 84% | 0.841 | S | S | * | * | trans | -47.7 | 120.5 | 164.1 | 47 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 696 | R | 22.5 | Very low | 23 | Very low | 246 Ų | 246 | 160.6 Ų | 160.6 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | trans | -125.6 | 92.4 | 162.2 | -136 | 173.6 | -176.9 | 170.5 | 0.8 | 108.2 | S694 G698 | S694-R696 PolarHBondContact O-N 3.5Å; R696-G698 PolarHBondContact O-N 3.46Å | ||
| 697 | S | 22.5 | Very low | 23.2 | Very low | 121 Ų | 121 | 159 Ų | 159 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | trans | -65.8 | 101.8 | 170.9 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 698 | G | 24.4 | Very low | 23.3 | Very low | 73 Ų | 73 | 163.4 Ų | 163.4 | 75% | 0.753 | 84% | 0.843 | S | S | * | * | trans | -99 | 106.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | R696 R700 | R696-G698 PolarHBondContact O-N 3.46Å; G698-R700 PolarHBondContact O-N 2.88Å | ||
| 699 | S | 24.3 | Very low | 23.3 | Very low | 118 Ų | 118 | 165.5 Ų | 165.5 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | trans | -56.3 | 120.1 | -179.3 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | R701 | S699-R701 PolarHBondContact O-N 2.92Š| ||
| 700 | R | 23.1 | Very low | 23.3 | Very low | 244 Ų | 244 | 167.3 Ų | 167.3 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -57.7 | 111.4 | 170.1 | -82 | 174.3 | 166.2 | 162.3 | -4.5 | 110.3 | G698 S702 | G698-R700 PolarHBondContact O-N 2.88Å; R700-S702 PolarHBondContact O-N 2.93Å | ||
| 701 | R | 22.2 | Very low | 23.3 | Very low | 248 Ų | 248 | 168.2 Ų | 168.2 | 94% | 0.936 | 85% | 0.848 | S | S | * | * | trans | -75.9 | 115 | 163.2 | -86 | -179.1 | 170.7 | 173 | -2.6 | 108.7 | S699 S703 | S699-R701 PolarHBondContact O-N 2.92Å; R701-S703 PolarHBondContact O-N 2.75Å | ||
| 702 | S | 24.3 | Very low | 23.4 | Very low | 111 Ų | 111 | 166.7 Ų | 166.7 | 78% | 0.776 | 85% | 0.849 | S | S | * | * | trans | -72.3 | 116.4 | 176.5 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | R700 K704 | R700-S702 PolarHBondContact O-N 2.93Å; S702-K704 PolarHBondContact O-N 3.2Å | ||
| 703 | S | 25 | Very low | 23.3 | Very low | 112 Ų | 112 | 164.2 Ų | 164.2 | 78% | 0.783 | 85% | 0.848 | S | S | * | * | trans | -73.8 | 105.9 | 168.3 | 50.8 | 0 | 0 | 0 | 0 | 109.5 | R701 S705 | R701-S703 PolarHBondContact O-N 2.75Å; S703-S705 PolarHBondContact O-N 3.31Å; S703-S705 VanDerWaalsContact O-N 3.13Å | ||
| 704 | K | 23.8 | Very low | 23.5 | Very low | 209 Ų | 209 | 160.4 Ų | 160.4 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | trans | -63.1 | 100.5 | 166.7 | -85.7 | 174.2 | 171.5 | 172.9 | 0 | 109.5 | S702 | S702-K704 PolarHBondContact O-N 3.2Š| ||
| 705 | S | 25.7 | Very low | 23.5 | Very low | 107 Ų | 107 | 163.7 Ų | 163.7 | 75% | 0.748 | 85% | 0.852 | S | S | * | * | trans | -87.5 | 114.8 | 163.3 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | S703 Q707 | S703-S705 PolarHBondContact O-N 3.31Å; S703-S705 VanDerWaalsContact O-N 3.13Å; S705-Q707 PolarHBondContact O-N 2.98Å | ||
| 706 | G | 23.3 | Very low | 23.4 | Very low | 80 Ų | 80 | 162.9 Ų | 162.9 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | trans | -65.8 | 110.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K708 | G706-K708 PolarHBondContact O-N 2.87Š| ||
| 707 | Q | 26.6 | Very low | 23.4 | Very low | 178 Ų | 178 | 158.9 Ų | 158.9 | 83% | 0.832 | 84% | 0.844 | S | S | * | * | trans | -72.3 | 103.5 | 169.3 | -76.5 | 177.8 | -30.7 | 0 | 0 | 110 | S705 R709 | S705-Q707 PolarHBondContact O-N 2.98Å; Q707-R709 PolarHBondContact O-N 3.45Å | ||
| 708 | K | 24.1 | Very low | 23.5 | Very low | 207 Ų | 207 | 163 Ų | 163 | 90% | 0.9 | 85% | 0.846 | S | S | * | * | trans | -66.2 | 94.7 | 160.9 | -88.1 | 179.5 | 174.7 | 175.5 | 0 | 108.7 | G706 R710 | G706-K708 PolarHBondContact O-N 2.87Å; K708-R710 PolarHBondContact O-N 3.25Å | ||
| 709 | R | 21.9 | Very low | 23.3 | Very low | 230 Ų | 230 | 165.4 Ų | 165.4 | 87% | 0.868 | 85% | 0.847 | S | S | * | * | trans | -62.1 | 105.2 | 168.7 | -80.8 | 176.6 | 161.4 | -178.8 | -6.3 | 109.8 | Q707 | Q707-R709 PolarHBondContact O-N 3.45Š| ||
| 710 | R | 22.5 | Very low | 23.3 | Very low | 244 Ų | 244 | 164.7 Ų | 164.7 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -80.1 | 114.5 | 160 | -83.6 | -176 | 161.1 | -175.9 | -4.9 | 108.1 | K708 S712 | K708-R710 PolarHBondContact O-N 3.25Å; R710-S712 PolarHBondContact O-N 3.03Å | ||
| 711 | Q | 21.3 | Very low | 23.4 | Very low | 191 Ų | 191 | 158.7 Ų | 158.7 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | trans | -72.9 | 113.9 | 176.1 | -68.1 | 169.3 | -11.8 | 0 | 0 | 109.2 | ||||
| 712 | S | 23.4 | Very low | 23.3 | Very low | 117 Ų | 117 | 152.7 Ų | 152.7 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 122.9 | 161.3 | 44.1 | 0 | 0 | 0 | 0 | 108.4 | R710 | R710-S712 PolarHBondContact O-N 3.03Š|
| 713 | Q | 21 | Very low | 23.3 | Very low | 182 Ų | 182 | 155.5 Ų | 155.5 | 85% | 0.85 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 142.6 | 179.6 | -72.3 | 179.4 | -19 | 0 | 0 | 111.2 | ||
| 714 | P | 24.5 | Very low | 23.1 | Very low | 126 Ų | 126 | 158.2 Ų | 158.2 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -89 | 129.3 | -170.8 | 33.8 | -30.5 | 0 | 0 | 0 | 111.8 | ||
| 715 | L | 23.8 | Very low | 23.2 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 135.8 | 167.8 | -97.4 | 92.8 | 0 | 0 | 0 | 110.8 | ||
| 716 | S | 21.8 | Very low | 24 | Very low | 104 Ų | 104 | 155.1 Ų | 155.1 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132 | -170.5 | 53.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 717 | N | 21.3 | Very low | 24.1 | Very low | 162 Ų | 162 | 159.4 Ų | 159.4 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -61 | 130.8 | 162.1 | -79.3 | -25 | 0 | 0 | 0 | 111.6 | ||
| 718 | K | 25.4 | Very low | 23.9 | Very low | 207 Ų | 207 | 157 Ų | 157 | 90% | 0.9 | 82% | 0.824 | S | S | * | * | trans | -105.5 | 127.4 | 154 | -83.3 | -174.4 | 176.3 | 179.7 | 0 | 109.2 | ||||
| 719 | T | 20.9 | Very low | 23.8 | Very low | 123 Ų | 123 | 156.2 Ų | 156.2 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | -61.1 | 138.6 | -173.9 | 28.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 720 | S | 23 | Very low | 23.8 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | 62.3 | 141.2 | 125.2 | -41.9 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 721 | P | 25 | Very low | 23.9 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | -141.6 | 137.8 | 60.3 | 32 | -10.2 | 0 | 0 | 0 | 117.7 | |||||
| 722 | T | 20.8 | Very low | 24 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | 6.5 | 122.6 | 139.7 | 48.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 723 | N | 25 | Very low | 23.9 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -137.5 | 112.5 | 146.1 | -135.7 | 1.8 | 0 | 0 | 0 | 109.1 | ||||
| 724 | E | 19.4 | Very low | 24 | Very low | 168 Ų | 168 | 151 Ų | 151 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -82.7 | 132.2 | 176.8 | -64.7 | 174.3 | 149.5 | 0 | 0 | 109.6 | ||||
| 725 | N | 27.2 | Very low | 24.1 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | -179.7 | 153 | 118.4 | -100.2 | -26.6 | 0 | 0 | 0 | 112.9 | |||||
| 726 | P | 42.2 | Very low | 24.2 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 62% | 0.617 | 81% | 0.813 | S | S | * | * | trans | -95.8 | 152.9 | -162.1 | 37.6 | -33.1 | 0 | 0 | 0 | 112.8 | ||||
| 727 | N | 25.9 | Very low | 24.4 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 91% | 0.914 | 82% | 0.819 | S | S | * | * | trans | -155.3 | 114.7 | 140.8 | -96.9 | -24 | 0 | 0 | 0 | 109.1 | ||||
| 728 | V | 22 | Very low | 24.8 | Very low | 128 Ų | 128 | 150 Ų | 150 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -80.3 | 124.3 | 174 | 171.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 729 | E | 22.2 | Very low | 25.1 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -155.8 | 123.6 | 147 | -115 | 171.9 | -160.6 | 0 | 0 | 110.9 | Q731 | E729-Q731 PolarHBondContact O-N 2.91Š| ||
| 730 | N | 21.1 | Very low | 25.8 | Very low | 159 Ų | 159 | 145 Ų | 145 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -59.4 | 121.2 | -179.9 | -77.6 | -42 | 0 | 0 | 0 | 111.9 | ||||
| 731 | Q | 24.5 | Very low | 26.3 | Very low | 194 Ų | 194 | 146.7 Ų | 146.7 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | trans | -133.8 | 133 | 151.6 | -72.5 | -170.1 | 5.1 | 0 | 0 | 110.7 | E729 | E729-Q731 PolarHBondContact O-N 2.91Š| ||
| 732 | Q | 23.6 | Very low | 27 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -66.8 | 139.8 | -164.4 | -70.4 | 157.4 | -34 | 0 | 0 | 113.2 | N734 | Q732-N734 PolarHBondContact O-N 2.89Š| ||
| 733 | N | 22.1 | Very low | 27.9 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | -22.2 | 93.8 | 164.4 | -64.7 | -25.7 | 0 | 0 | 0 | 116 | ||||
| 734 | N | 23.3 | Very low | 28.8 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | -96.3 | 129.3 | 149.6 | -88.6 | -25.2 | 0 | 0 | 0 | 107.9 | Q732 S736 | Q732-N734 PolarHBondContact O-N 2.89Å; N734-S736 PolarHBondContact O-N 2.91Å | ||
| 735 | P | 25.7 | Very low | 30.4 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | trans | -65.6 | 111.5 | 179.8 | 27.5 | -30 | 0 | 0 | 0 | 107.7 | F737 | P735-F737 PolarHBondContact O-N 3Š| ||
| 736 | S | 24.9 | Very low | 31.8 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | -57.8 | 105.1 | -179.8 | 54.1 | 0 | 0 | 0 | 0 | 109.3 | N734 V738 | N734-S736 PolarHBondContact O-N 2.91Å; S736-V738 PolarHBondContact O-N 3.05Å | ||
| 737 | F | 27.1 | Very low | 32.4 | Very low | 199 Ų | 199 | 134.7 Ų | 134.7 | 87% | 0.873 | 72% | 0.716 | S | S | * | * | trans | -49.2 | 107.2 | 162 | -122.2 | -100.2 | 0 | 0 | 0 | 107.2 | P735 N739 | P735-F737 PolarHBondContact O-N 3Å; F737-N739 PolarHBondContact O-N 2.74Å | ||
| 738 | V | 30.6 | Very low | 33.7 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 71% | 0.709 | 68% | 0.68 | S | S | * | * | trans | -61.3 | 125 | 173.8 | 176.9 | 0 | 0 | 0 | 0 | 106.8 | S736 N740 | S736-V738 PolarHBondContact O-N 3.05Å; V738-N740 VanDerWaalsContact C-N 3.33Å; V738-N740 PolarHBondContact O-N 3.48Å | ||
| 739 | N | 29.9 | Very low | 35.7 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 60% | 0.599 | 66% | 0.661 | S | S | * | * | trans | -70.4 | 80.3 | -164.8 | -144.7 | 2.4 | 0 | 0 | 0 | 110.8 | F737 Q741 | F737-N739 PolarHBondContact O-N 2.74Å; N739-Q741 PolarHBondContact O-N 2.79Å | ||
| 740 | N | 35.3 | Very low | 37.5 | Very low | 112 Ų | 112 | 119.1 Ų | 119.1 | 60% | 0.599 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61 | -14 | -175.3 | -83.4 | -11.2 | 0 | 0 | 0 | 114.8 | V738 T743 T744 | V738-N740 VanDerWaalsContact C-N 3.33Å; V738-N740 PolarHBondContact O-N 3.48Å; N740-T743 PolarHBondContact O-OG1 3.05Å; N740-T744 PolarHBondContact O-N 3.03Å; N740-T744 PolarHBondContact O-OG1 3.38Å |
| 741 | Q | 34.6 | Very low | 39.2 | Very low | 139 Ų | 139 | 112 Ų | 112 | 65% | 0.65 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.3 | -40.6 | -177.3 | -68.1 | -176.1 | -4.8 | 0 | 0 | 112.4 | N739 T743 T744 E745 | N739-Q741 PolarHBondContact O-N 2.79Å; Q741-T743 VanDerWaalsContact C-N 3.33Å; Q741-T743 PolarHBondContact O-N 3.43Å; Q741-T744 PolarHBondContact O-N 3.18Å; Q741-T744 PolarHBondContact O-OG1 3.12Å; Q741-E745 PolarHBondContact O-N 3.45Å |
| 742 | N | 39.9 | Very low | 41 | Very low | 102 Ų | 102 | 109 Ų | 109 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.2 | -34.9 | 179.9 | -74.1 | 4.1 | 0 | 0 | 0 | 112 | E745 V746 | N742-E745 PolarHBondContact O-N 2.88Å; N742-V746 VanDerWaalsContact O-CG2 3.26Å; N742-V746 WeakPolarHBondContact O-CG2 3.14Å; N742-V746 PolarHBondContact O-N 3.12Å; N742-V746 VanDerWaalsContact O-N 3.12Å |
| 743 | T | 40.3 | Very low | 43 | Very low | 77 Ų | 77 | 107.6 Ų | 107.6 | 47% | 0.472 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.5 | -38.3 | 179.5 | 40.9 | 0 | 0 | 0 | 0 | 112.7 | N740 Q741 L747 | N740-T743 PolarHBondContact O-OG1 3.05Å; Q741-T743 VanDerWaalsContact C-N 3.33Å; Q741-T743 PolarHBondContact O-N 3.43Å; T743-L747 WeakPolarHBondContact O-CG 3.17Å; T743-L747 PolarHBondContact O-N 3.34Å |
| 744 | T | 43 | Very low | 44.8 | Very low | 75 Ų | 75 | 103.2 Ų | 103.2 | 46% | 0.46 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 176.9 | 38.8 | 0 | 0 | 0 | 0 | 112.6 | N740 Q741 N748 | N740-T744 PolarHBondContact O-N 3.03Å; N740-T744 PolarHBondContact O-OG1 3.38Å; Q741-T744 PolarHBondContact O-N 3.18Å; Q741-T744 PolarHBondContact O-OG1 3.12Å; T744-N748 WeakPolarHBondContact O-CB 3.34Å; T744-N748 VanDerWaalsContact O-CG 3.27Å; T744-N748 PolarHBondContact O-N 3.02Å; T744-N748 PolarHBondContact O-ND2 2.9Å |
| 745 | E | 52.4 | Low | 46.5 | Very low | 131 Ų | 131 | 97 Ų | 97 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 176.4 | -70.6 | -177.4 | 176.8 | 0 | 0 | 111.4 | Q741 N742 L747 N748 E749 | Q741-E745 PolarHBondContact O-N 3.45Å; N742-E745 PolarHBondContact O-N 2.88Å; E745-L747 PolarHBondContact O-N 3.1Å; E745-N748 PolarHBondContact O-N 2.77Å; E745-E749 WeakPolarHBondContact O-CB 3.42Å; E745-E749 PolarHBondContact O-N 3.16Å |
| 746 | V | 56.7 | Low | 48.4 | Very low | 102 Ų | 102 | 95.4 Ų | 95.4 | 62% | 0.618 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.6 | -41.8 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | N742 E749 A750 | N742-V746 VanDerWaalsContact O-CG2 3.26Å; N742-V746 WeakPolarHBondContact O-CG2 3.14Å; N742-V746 PolarHBondContact O-N 3.12Å; N742-V746 VanDerWaalsContact O-N 3.12Å; V746-E749 PolarHBondContact O-N 3.14Å; V746-A750 WeakPolarHBondContact O-CB 3.48Å; V746-A750 PolarHBondContact O-N 3.46Å |
| 747 | L | 54.2 | Low | 50.2 | Low | 91 Ų | 91 | 93.8 Ų | 93.8 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 176.5 | -74.9 | 168.8 | 0 | 0 | 0 | 112.2 | T743 E745 A750 A751 | T743-L747 WeakPolarHBondContact O-CG 3.17Å; T743-L747 PolarHBondContact O-N 3.34Å; E745-L747 PolarHBondContact O-N 3.1Å; L747-A750 PolarHBondContact O-N 3.04Å; L747-A751 WeakPolarHBondContact O-CB 3.5Å; L747-A751 PolarHBondContact O-N 3.05Å |
| 748 | N | 55.2 | Low | 51.5 | Low | 27 Ų | 27 | 89.8 Ų | 89.8 | 14% | 0.144 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.2 | -37.9 | 176.1 | -76.4 | -38.1 | 0 | 0 | 0 | 111.9 | G554 N558 T744 E745 A751 R752 | G554-N748 PolarHBondContact N-OD1 2.77Å; N558-N748 PolarHBondContact ND2-ND2 3.43Å; T744-N748 WeakPolarHBondContact O-CB 3.34Å; T744-N748 VanDerWaalsContact O-CG 3.27Å; T744-N748 PolarHBondContact O-N 3.02Å; T744-N748 PolarHBondContact O-ND2 2.9Å; E745-N748 PolarHBondContact O-N 2.77Å; N748-A751 PolarHBondContact O-N 3.08Å; N748-R752 VanDerWaalsContact O-CB 3.3Å; N748-R752 WeakPolarHBondContact O-CB 3.5Å; N748-R752 PolarHBondContact O-N 3.01Å |
| 749 | E | 62.6 | Low | 52.6 | Low | 83 Ų | 83 | 87 Ų | 87 | 39% | 0.388 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 173 | -179.9 | 59.6 | -161.8 | 0 | 0 | 111.4 | E745 V746 R752 R753 | E745-E749 WeakPolarHBondContact O-CB 3.42Å; E745-E749 PolarHBondContact O-N 3.16Å; V746-E749 PolarHBondContact O-N 3.14Å; E749-R752 PolarHBondContact O-N 2.69Å; E749-R753 WeakPolarHBondContact O-CG 3.42Å; E749-R753 PolarHBondContact O-N 3.49Å; E749-R753 IonicContact OE1-CZ 3.11Å; E749-R753 IonicContact OE1-NE 2.64Å; E749-R753 PolarHBondContact OE1-NE 3.49Å; E749-R753 VanDerWaalsContact OE1-NE 3.08Å; E749-R753 IonicContact OE1-NH2 3.81Å; E749-R753 PolarHBondContact OE1-NH2 3.04Å |
| 750 | A | 61.1 | Low | 53.7 | Low | 51 Ų | 51 | 87.9 Ų | 87.9 | 42% | 0.421 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | V746 L747 R752 R753 L754 | V746-A750 WeakPolarHBondContact O-CB 3.48Å; V746-A750 PolarHBondContact O-N 3.46Å; L747-A750 PolarHBondContact O-N 3.04Å; A750-R752 VanDerWaalsContact C-N 3.33Å; A750-R752 PolarHBondContact O-N 3.24Å; A750-R753 PolarHBondContact O-N 3.26Å; A750-L754 WeakPolarHBondContact O-CB 3.4Å; A750-L754 PolarHBondContact O-N 3.16Å |
| 751 | A | 56 | Low | 54.7 | Low | 10 Ų | 10 | 86.8 Ų | 86.8 | 8% | 0.083 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V539 F553 L747 N748 R753 L754 V755 | V539-A751 HydrophobicContact CG2-CB 4.3Å; F553-A751 HydrophobicContact CB-CB 3.82Å; L747-A751 WeakPolarHBondContact O-CB 3.5Å; L747-A751 PolarHBondContact O-N 3.05Å; N748-A751 PolarHBondContact O-N 3.08Å; A751-R753 PolarHBondContact O-N 2.78Å; A751-L754 PolarHBondContact O-N 3.07Å; A751-V755 VanDerWaalsContact O-CG2 3.31Å; A751-V755 WeakPolarHBondContact O-CG2 3.47Å; A751-V755 PolarHBondContact O-N 3.02Å |
| 752 | R | 61.8 | Low | 55.2 | Low | 132 Ų | 132 | 83.7 Ų | 83.7 | 50% | 0.498 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 175.7 | -171 | 179.1 | -178 | 151.7 | 4.3 | 111.8 | N748 E749 A750 L754 V755 E756 | N748-R752 VanDerWaalsContact O-CB 3.3Å; N748-R752 WeakPolarHBondContact O-CB 3.5Å; N748-R752 PolarHBondContact O-N 3.01Å; E749-R752 PolarHBondContact O-N 2.69Å; A750-R752 VanDerWaalsContact C-N 3.33Å; A750-R752 PolarHBondContact O-N 3.24Å; R752-L754 VanDerWaalsContact C-N 3.32Å; R752-L754 PolarHBondContact O-N 3.25Å; R752-V755 PolarHBondContact O-N 2.77Å; R752-E756 IonicContact NE-OE1 3.93Å; R752-E756 PolarHBondContact NE-OE1 2.99Å; R752-E756 WeakPolarHBondContact O-CB 3.43Å; R752-E756 WeakPolarHBondContact O-CG 3.49Å; R752-E756 PolarHBondContact O-N 3.5Å |
| 753 | R | 67 | Low | 55.4 | Low | 155 Ų | 155 | 85 Ų | 85 | 59% | 0.585 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.8 | -37.6 | 175.1 | -71.5 | 177.4 | -171.6 | -174.6 | 1 | 112.6 | E749 A750 A751 E756 T757 | E749-R753 WeakPolarHBondContact O-CG 3.42Å; E749-R753 PolarHBondContact O-N 3.49Å; E749-R753 IonicContact OE1-CZ 3.11Å; E749-R753 IonicContact OE1-NE 2.64Å; E749-R753 PolarHBondContact OE1-NE 3.49Å; E749-R753 VanDerWaalsContact OE1-NE 3.08Å; E749-R753 IonicContact OE1-NH2 3.81Å; E749-R753 PolarHBondContact OE1-NH2 3.04Å; A750-R753 PolarHBondContact O-N 3.26Å; A751-R753 PolarHBondContact O-N 2.78Å; R753-E756 PolarHBondContact O-N 3.04Å; R753-T757 WeakPolarHBondContact O-CB 3.41Å; R753-T757 WeakPolarHBondContact O-CG2 3.2Å; R753-T757 PolarHBondContact O-N 2.93Å; R753-T757 PolarHBondContact O-OG1 3.46Å |
| 754 | L | 59.9 | Low | 55.7 | Low | 74 Ų | 74 | 85.7 Ų | 85.7 | 39% | 0.387 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.6 | -39.2 | 179.2 | -158.3 | 140.9 | 0 | 0 | 0 | 111.6 | T415 V539 A750 A751 R752 T757 K758 | T415-L754 HydrophobicContact CG2-CD2 4.04Å; V539-L754 HydrophobicContact CG1-CD2 4.47Å; V539-L754 HydrophobicContact CG2-CD2 4.44Å; A750-L754 WeakPolarHBondContact O-CB 3.4Å; A750-L754 PolarHBondContact O-N 3.16Å; A751-L754 PolarHBondContact O-N 3.07Å; R752-L754 VanDerWaalsContact C-N 3.32Å; R752-L754 PolarHBondContact O-N 3.25Å; L754-T757 WeakPolarHBondContact CA-OG1 3.36Å; L754-T757 PolarHBondContact O-OG1 2.83Å; L754-K758 WeakPolarHBondContact O-CB 3.47Å; L754-K758 WeakPolarHBondContact O-CG 3.24Å; L754-K758 PolarHBondContact O-N 3.02Å; L754-K758 VanDerWaalsContact O-N 3.14Å |
| 755 | V | 58.5 | Low | 55.6 | Low | 19 Ų | 19 | 88.1 Ų | 88.1 | 12% | 0.115 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 170.9 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | P537 V539 A751 R752 T757 K758 I759 | P537-V755 HydrophobicContact CB-CG1 4.19Å; V539-V755 HydrophobicContact CG2-CG2 3.35Å; A751-V755 VanDerWaalsContact O-CG2 3.31Å; A751-V755 WeakPolarHBondContact O-CG2 3.47Å; A751-V755 PolarHBondContact O-N 3.02Å; R752-V755 PolarHBondContact O-N 2.77Å; V755-T757 PolarHBondContact O-N 2.98Å; V755-K758 PolarHBondContact O-N 2.88Å; V755-I759 HydrophobicContact CG1-CD1 3.49Å; V755-I759 VanDerWaalsContact CG1-CD1 3.49Å; V755-I759 HydrophobicContact CG1-CG1 4.2Å; V755-I759 WeakPolarHBondContact O-CB 3.38Å; V755-I759 WeakPolarHBondContact O-CG1 3.11Å; V755-I759 PolarHBondContact O-N 3.29Å |
| 756 | E | 64.5 | Low | 54.9 | Low | 88 Ų | 88 | 87.6 Ų | 87.6 | 41% | 0.411 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | -180 | -76.5 | 178 | -167.9 | 0 | 0 | 113.3 | R752 R753 K760 | R752-E756 IonicContact NE-OE1 3.93Å; R752-E756 PolarHBondContact NE-OE1 2.99Å; R752-E756 WeakPolarHBondContact O-CB 3.43Å; R752-E756 WeakPolarHBondContact O-CG 3.49Å; R752-E756 PolarHBondContact O-N 3.5Å; R753-E756 PolarHBondContact O-N 3.04Å; E756-K760 VanDerWaalsContact O-CG 3.3Å; E756-K760 WeakPolarHBondContact O-CG 3.17Å; E756-K760 PolarHBondContact O-N 2.64Å; E756-K760 VanDerWaalsContact O-N 3.07Å |
| 757 | T | 64.1 | Low | 54.2 | Low | 74 Ų | 74 | 89.2 Ų | 89.2 | 45% | 0.454 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.9 | -48 | 176.1 | 39.9 | 0 | 0 | 0 | 0 | 111.3 | R753 L754 V755 K760 D761 | R753-T757 WeakPolarHBondContact O-CB 3.41Å; R753-T757 WeakPolarHBondContact O-CG2 3.2Å; R753-T757 PolarHBondContact O-N 2.93Å; R753-T757 PolarHBondContact O-OG1 3.46Å; L754-T757 WeakPolarHBondContact CA-OG1 3.36Å; L754-T757 PolarHBondContact O-OG1 2.83Å; V755-T757 PolarHBondContact O-N 2.98Å; T757-K760 WeakPolarHBondContact O-CB 3.34Å; T757-K760 PolarHBondContact O-N 2.61Å; T757-D761 PolarHBondContact O-N 2.76Å |
| 758 | K | 54.4 | Low | 53.5 | Low | 114 Ų | 114 | 92.8 Ų | 92.8 | 50% | 0.496 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 176.6 | -75.9 | -92.8 | -179.8 | 170.5 | 0 | 113.1 | L754 V755 K760 D761 V762 | L754-K758 WeakPolarHBondContact O-CB 3.47Å; L754-K758 WeakPolarHBondContact O-CG 3.24Å; L754-K758 PolarHBondContact O-N 3.02Å; L754-K758 VanDerWaalsContact O-N 3.14Å; V755-K758 PolarHBondContact O-N 2.88Å; K758-K760 VanDerWaalsContact C-N 3.27Å; K758-K760 PolarHBondContact O-N 3.12Å; K758-D761 WeakPolarHBondContact O-CB 3.39Å; K758-D761 PolarHBondContact O-N 2.78Å; K758-D761 VanDerWaalsContact O-N 3.13Å; K758-V762 WeakPolarHBondContact O-CG2 3.32Å; K758-V762 PolarHBondContact O-N 2.8Å |
| 759 | I | 53.9 | Low | 52.4 | Low | 60 Ų | 60 | 99.2 Ų | 99.2 | 31% | 0.308 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 174.5 | -71.4 | 172.1 | 0 | 0 | 0 | 110.7 | V755 K763 | V755-I759 HydrophobicContact CG1-CD1 3.49Å; V755-I759 VanDerWaalsContact CG1-CD1 3.49Å; V755-I759 HydrophobicContact CG1-CG1 4.2Å; V755-I759 WeakPolarHBondContact O-CB 3.38Å; V755-I759 WeakPolarHBondContact O-CG1 3.11Å; V755-I759 PolarHBondContact O-N 3.29Å; I759-K763 HydrophobicContact CG2-CD 4.23Å; I759-K763 WeakPolarHBondContact O-CB 3.45Å; I759-K763 WeakPolarHBondContact O-CG 3.49Å; I759-K763 PolarHBondContact O-N 3.27Å |
| 760 | K | 51.6 | Low | 51 | Low | 130 Ų | 130 | 102.8 Ų | 102.8 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.9 | -40.8 | 172.9 | -76.1 | 172.5 | -177.6 | 174 | 0 | 111.6 | E756 T757 K758 K763 N764 | E756-K760 VanDerWaalsContact O-CG 3.3Å; E756-K760 WeakPolarHBondContact O-CG 3.17Å; E756-K760 PolarHBondContact O-N 2.64Å; E756-K760 VanDerWaalsContact O-N 3.07Å; T757-K760 WeakPolarHBondContact O-CB 3.34Å; T757-K760 PolarHBondContact O-N 2.61Å; K758-K760 VanDerWaalsContact C-N 3.27Å; K758-K760 PolarHBondContact O-N 3.12Å; K760-K763 PolarHBondContact O-N 3.37Å; K760-N764 VanDerWaalsContact O-CB 3.29Å; K760-N764 WeakPolarHBondContact O-CB 3.33Å; K760-N764 PolarHBondContact O-N 3.41Å; K760-N764 PolarHBondContact O-ND2 2.85Å |
| 761 | D | 56.3 | Low | 49.5 | Very low | 89 Ų | 89 | 106.4 Ų | 106.4 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 176.5 | -64 | -25.3 | 0 | 0 | 0 | 111.6 | T757 K758 N764 E765 | T757-D761 PolarHBondContact O-N 2.76Å; K758-D761 WeakPolarHBondContact O-CB 3.39Å; K758-D761 PolarHBondContact O-N 2.78Å; K758-D761 VanDerWaalsContact O-N 3.13Å; D761-N764 PolarHBondContact O-N 3.41Å; D761-E765 PolarHBondContact O-N 2.92Å |
| 762 | V | 46.1 | Very low | 48.1 | Very low | 74 Ų | 74 | 111.8 Ų | 111.8 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 176.5 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | K758 N764 E765 Q766 | K758-V762 WeakPolarHBondContact O-CG2 3.32Å; K758-V762 PolarHBondContact O-N 2.8Å; V762-N764 VanDerWaalsContact C-N 3.31Å; V762-N764 PolarHBondContact O-N 3Å; V762-E765 PolarHBondContact O-N 3.02Å; V762-Q766 WeakPolarHBondContact O-CB 3.49Å; V762-Q766 WeakPolarHBondContact O-CG 3.31Å; V762-Q766 PolarHBondContact O-N 2.78Å |
| 763 | K | 43.8 | Very low | 46.3 | Very low | 129 Ų | 129 | 111.4 Ų | 111.4 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.5 | -35.3 | 174.5 | -78.3 | -177.4 | 178.5 | -179.8 | 0 | 112.2 | I759 K760 Q766 K767 | I759-K763 HydrophobicContact CG2-CD 4.23Å; I759-K763 WeakPolarHBondContact O-CB 3.45Å; I759-K763 WeakPolarHBondContact O-CG 3.49Å; I759-K763 PolarHBondContact O-N 3.27Å; K760-K763 PolarHBondContact O-N 3.37Å; K763-Q766 PolarHBondContact O-N 3.35Å; K763-K767 WeakPolarHBondContact O-CB 3.35Å; K763-K767 PolarHBondContact O-N 3.05Å |
| 764 | N | 45.5 | Very low | 44.3 | Very low | 91 Ų | 91 | 113 Ų | 113 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.5 | -38.6 | 175.4 | -76.6 | -17.3 | 0 | 0 | 0 | 111.7 | K760 D761 V762 K767 K768 | K760-N764 VanDerWaalsContact O-CB 3.29Å; K760-N764 WeakPolarHBondContact O-CB 3.33Å; K760-N764 PolarHBondContact O-N 3.41Å; K760-N764 PolarHBondContact O-ND2 2.85Å; D761-N764 PolarHBondContact O-N 3.41Å; V762-N764 VanDerWaalsContact C-N 3.31Å; V762-N764 PolarHBondContact O-N 3Å; N764-K767 PolarHBondContact O-N 3.24Å; N764-K768 WeakPolarHBondContact O-CB 3.5Å; N764-K768 WeakPolarHBondContact O-CG 3.49Å; N764-K768 PolarHBondContact O-N 2.92Å |
| 765 | E | 42.5 | Very low | 42.7 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 59% | 0.593 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.8 | -39.8 | 171.4 | -78.4 | -168.9 | 165 | 0 | 0 | 112.2 | D761 V762 K768 K769 | D761-E765 PolarHBondContact O-N 2.92Å; V762-E765 PolarHBondContact O-N 3.02Å; E765-K768 PolarHBondContact O-N 3.09Å; E765-K769 WeakPolarHBondContact O-CG 3.32Å; E765-K769 PolarHBondContact O-N 3.26Å |
| 766 | Q | 37.4 | Very low | 41.1 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 56% | 0.556 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.6 | -38.9 | 175.4 | -74.2 | -176.7 | -2 | 0 | 0 | 112.4 | V762 K763 K769 Q770 | V762-Q766 WeakPolarHBondContact O-CB 3.49Å; V762-Q766 WeakPolarHBondContact O-CG 3.31Å; V762-Q766 PolarHBondContact O-N 2.78Å; K763-Q766 PolarHBondContact O-N 3.35Å; Q766-K769 PolarHBondContact O-N 3.4Å; Q766-Q770 PolarHBondContact O-N 3.26Å |
| 767 | K | 41.7 | Very low | 39.3 | Very low | 137 Ų | 137 | 129 Ų | 129 | 60% | 0.596 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.3 | -42.8 | 171.4 | -82.3 | -173.8 | 173 | -173 | 0 | 112.1 | K763 N764 K769 Q770 D771 | K763-K767 WeakPolarHBondContact O-CB 3.35Å; K763-K767 PolarHBondContact O-N 3.05Å; N764-K767 PolarHBondContact O-N 3.24Å; K767-K769 PolarHBondContact O-N 3.5Å; K767-Q770 PolarHBondContact O-N 3.02Å; K767-D771 PolarHBondContact O-N 3.26Å; K767-D771 VanDerWaalsContact O-N 3.15Å |
| 768 | K | 38.9 | Very low | 37.6 | Very low | 165 Ų | 165 | 133 Ų | 133 | 72% | 0.717 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.5 | -29.7 | 173.8 | -81.6 | -176.3 | 175 | -178.5 | 0 | 113 | N764 E765 I772 | N764-K768 WeakPolarHBondContact O-CB 3.5Å; N764-K768 WeakPolarHBondContact O-CG 3.49Å; N764-K768 PolarHBondContact O-N 2.92Å; E765-K768 PolarHBondContact O-N 3.09Å; K768-I772 WeakPolarHBondContact O-CG1 3.4Å |
| 769 | K | 33.7 | Very low | 36.5 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 70% | 0.704 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.2 | -20.2 | 174.2 | -76 | 178.3 | 178.3 | 175 | 0 | 113.9 | E765 Q766 K767 | E765-K769 WeakPolarHBondContact O-CG 3.32Å; E765-K769 PolarHBondContact O-N 3.26Å; Q766-K769 PolarHBondContact O-N 3.4Å; K767-K769 PolarHBondContact O-N 3.5Å |
| 770 | Q | 33.2 | Very low | 35.1 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -90.6 | -26.8 | 178.5 | -74.7 | -178.8 | -16.4 | 0 | 0 | 113.3 | Q766 K767 I772 | Q766-Q770 PolarHBondContact O-N 3.26Å; K767-Q770 PolarHBondContact O-N 3.02Å; Q770-I772 VanDerWaalsContact C-N 3.32Å; Q770-I772 PolarHBondContact O-N 3.34Å |
| 771 | D | 28.8 | Very low | 33.9 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | trans | -90.2 | 18.9 | -177.3 | -69.9 | -27 | 0 | 0 | 0 | 114.7 | K767 T773 | K767-D771 PolarHBondContact O-N 3.26Å; K767-D771 VanDerWaalsContact O-N 3.15Å; D771-T773 PolarHBondContact O-N 2.96Å | ||
| 772 | I | 25.6 | Very low | 32.5 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | trans | -82.4 | 72 | 172 | -49.8 | 177.6 | 0 | 0 | 0 | 108.7 | K768 Q770 | K768-I772 WeakPolarHBondContact O-CG1 3.4Å; Q770-I772 VanDerWaalsContact C-N 3.32Å; Q770-I772 PolarHBondContact O-N 3.34Å | ||
| 773 | T | 25.7 | Very low | 31.5 | Very low | 125 Ų | 125 | 151 Ų | 151 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | trans | -80.2 | 116.1 | 162.9 | -43.4 | 0 | 0 | 0 | 0 | 106.6 | D771 N775 | D771-T773 PolarHBondContact O-N 2.96Å; T773-N775 PolarHBondContact O-N 2.93Å | ||
| 774 | F | 24.2 | Very low | 30.6 | Very low | 189 Ų | 189 | 153.7 Ų | 153.7 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -51.1 | 107.7 | -179 | -75.4 | -96 | 0 | 0 | 0 | 111.2 | ||||
| 775 | N | 25.9 | Very low | 29.6 | Very low | 169 Ų | 169 | 157.7 Ų | 157.7 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | trans | -121.2 | 110.3 | 159.9 | -111.4 | -13.1 | 0 | 0 | 0 | 108.1 | T773 | T773-N775 PolarHBondContact O-N 2.93Š| ||
| 776 | L | 25.9 | Very low | 28.7 | Very low | 161 Ų | 161 | 156.4 Ų | 156.4 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -96.4 | 88 | -172.4 | -162.8 | 105.8 | 0 | 0 | 0 | 107.6 | ||||
| 777 | E | 26.9 | Very low | 28.2 | Very low | 186 Ų | 186 | 156.8 Ų | 156.8 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -152.3 | 118.2 | 169.7 | -110.8 | 165.3 | -145.1 | 0 | 0 | 112.1 | ||||
| 778 | N | 28.3 | Very low | 27.4 | Very low | 157 Ų | 157 | 155.8 Ų | 155.8 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | 71.7 | 94.4 | 166.3 | -79.3 | -19.7 | 0 | 0 | 0 | 121 | ||||
| 779 | P | 30.6 | Very low | 26.6 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -88.8 | 103.1 | 162.3 | 33.4 | -23.9 | 0 | 0 | 0 | 109.6 | ||||
| 780 | K | 24.5 | Very low | 26.3 | Very low | 195 Ų | 195 | 155 Ų | 155 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -176.8 | 99.8 | 161.6 | -101.8 | 160.8 | -167.8 | -171.5 | 0 | 107.4 | ||||
| 781 | E | 27.1 | Very low | 25.8 | Very low | 193 Ų | 193 | 155.5 Ų | 155.5 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | 159.8 | 71.8 | 151.8 | -91 | 173.2 | -174.6 | 0 | 0 | 110.6 | ||||
| 782 | I | 26.8 | Very low | 25.6 | Very low | 173 Ų | 173 | 157.7 Ų | 157.7 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -142.4 | 76.9 | 153.7 | -51.7 | 178.2 | 0 | 0 | 0 | 107.1 | ||||
| 783 | L | 24.1 | Very low | 25.5 | Very low | 165 Ų | 165 | 160.6 Ų | 160.6 | 86% | 0.864 | 85% | 0.845 | S | S | * | * | trans | -140.3 | 131.8 | 161.7 | -89 | 168.3 | 0 | 0 | 0 | 105.4 | ||||
| 784 | K | 24.5 | Very low | 25.3 | Very low | 185 Ų | 185 | 159.4 Ų | 159.4 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | trans | 93.7 | 123.9 | -170.6 | -59.5 | 176.5 | -178.7 | -173.3 | 0 | 111.9 | ||||
| 785 | E | 25.5 | Very low | 25.3 | Very low | 175 Ų | 175 | 156.8 Ų | 156.8 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | cis | -156 | 131.1 | 17 | -100.6 | 146.5 | -159.8 | 0 | 0 | 107.7 | ||||
| 786 | A | 24.2 | Very low | 25.2 | Very low | 100 Ų | 100 | 156.4 Ų | 156.4 | 83% | 0.826 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 129.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 787 | P | 26.5 | Very low | 25 | Very low | 128 Ų | 128 | 155.5 Ų | 155.5 | 83% | 0.831 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 144.9 | -177 | 24.3 | -17.8 | 0 | 0 | 0 | 112.7 | ||
| 788 | S | 24.5 | Very low | 24.9 | Very low | 116 Ų | 116 | 156.6 Ų | 156.6 | 81% | 0.811 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 140 | -177.8 | 46.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 789 | E | 22.5 | Very low | 24.6 | Very low | 194 Ų | 194 | 155 Ų | 155 | 91% | 0.907 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 140.3 | 174.9 | -65.4 | 168.9 | 144.9 | 0 | 0 | 113.8 | ||
| 790 | P | 26.6 | Very low | 24.4 | Very low | 116 Ų | 116 | 156.2 Ų | 156.2 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 135.8 | 160.6 | 33.8 | -24.6 | 0 | 0 | 0 | 112 | L792 | P790-L792 PolarHBondContact O-N 3.13Š|
| 791 | D | 23.7 | Very low | 24.3 | Very low | 169 Ų | 169 | 156 Ų | 156 | 90% | 0.904 | 84% | 0.841 | S | S | * | * | trans | -42.9 | 122.4 | 176.1 | -68.2 | -53.3 | 0 | 0 | 0 | 114.8 | ||||
| 792 | L | 25 | Very low | 24.2 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | trans | -127.4 | 113 | 162.5 | -97 | 152.6 | 0 | 0 | 0 | 109.5 | P790 | P790-L792 PolarHBondContact O-N 3.13Š| ||
| 793 | Q | 22.5 | Very low | 24 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | trans | -66.2 | 129.3 | 179.6 | -68.4 | 169.5 | -18 | 0 | 0 | 111.6 | V795 | Q793-V795 PolarHBondContact O-N 3.47Š| ||
| 794 | A | 22.3 | Very low | 24 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 14.6 | 96.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 795 | V | 24 | Very low | 24 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -111.6 | 123.3 | 146 | 174.9 | 0 | 0 | 0 | 0 | 106.1 | Q793 N797 | Q793-V795 PolarHBondContact O-N 3.47Å; V795-N797 PolarHBondContact O-N 2.75Å | ||
| 796 | D | 23.1 | Very low | 23.9 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -49.4 | 126.3 | -172.7 | -77.7 | -50.9 | 0 | 0 | 0 | 113.6 | K798 | D796-K798 PolarHBondContact O-N 2.81Š| ||
| 797 | N | 22.3 | Very low | 23.8 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -63.1 | 120.9 | 179.5 | -64.7 | -37.6 | 0 | 0 | 0 | 111.5 | V795 V799 | V795-N797 PolarHBondContact O-N 2.75Å; N797-V799 HydrophobicContact CB-CG2 3.86Å | ||
| 798 | K | 23.8 | Very low | 23.7 | Very low | 210 Ų | 210 | 149.9 Ų | 149.9 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -117.6 | 96.3 | 142.2 | -84.7 | -167.3 | 176.1 | -176.5 | 0 | 108.1 | D796 | D796-K798 PolarHBondContact O-N 2.81Š| ||
| 799 | V | 23.1 | Very low | 23.7 | Very low | 123 Ų | 123 | 150.5 Ų | 150.5 | 75% | 0.745 | 81% | 0.811 | S | S | * | * | trans | -57.8 | 119.7 | -171.2 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | N797 | N797-V799 HydrophobicContact CB-CG2 3.86Š| ||
| 800 | D | 26.7 | Very low | 23.7 | Very low | 145 Ų | 145 | 151 Ų | 151 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | -57.1 | 159.7 | 149.5 | -72.8 | -54.1 | 0 | 0 | 0 | 111.3 | ||||
| 801 | E | 22.3 | Very low | 23.6 | Very low | 191 Ų | 191 | 149.8 Ų | 149.8 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | 125.6 | 140.3 | 156 | -71.5 | -179.7 | 178.4 | 0 | 0 | 112.5 | ||||
| 802 | A | 23.4 | Very low | 23.7 | Very low | 74 Ų | 74 | 147.9 Ų | 147.9 | 61% | 0.612 | 81% | 0.806 | S | S | * | * | cis | -173.6 | 163.9 | -15.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 803 | T | 23.3 | Very low | 23.7 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | 76.5 | 111.1 | 148.5 | 45.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 804 | L | 23.9 | Very low | 23.7 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | 89.9 | 119.3 | 120.7 | -156.7 | 71.8 | 0 | 0 | 0 | 117.9 | |||||
| 805 | F | 24.7 | Very low | 23.8 | Very low | 164 Ų | 164 | 151.2 Ų | 151.2 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | -178.6 | 110 | 109.3 | -104.8 | -85.6 | 0 | 0 | 0 | 115.1 | |||||
| 806 | K | 22.7 | Very low | 23.9 | Very low | 172 Ų | 172 | 153.3 Ų | 153.3 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 38.3 | 114.5 | 137.6 | -57.3 | -176.5 | -173.9 | 176.8 | 0 | 121.2 | ||||
| 807 | S | 23.4 | Very low | 24 | Very low | 124 Ų | 124 | 153.5 Ų | 153.5 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -135.1 | 148 | 141.1 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 808 | K | 23.8 | Very low | 24 | Very low | 198 Ų | 198 | 153 Ų | 153 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 147.2 | -155.6 | -72.1 | 167.3 | 173.2 | 173.4 | 0 | 117.2 | K810 | K808-K810 PolarHBondContact O-N 3.19Š|
| 809 | P | 24.3 | Very low | 24.1 | Very low | 130 Ų | 130 | 151.9 Ų | 151.9 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 123.5 | -179 | 31 | -31.4 | 0 | 0 | 0 | 111.1 | ||
| 810 | K | 23.7 | Very low | 24.2 | Very low | 205 Ų | 205 | 153.4 Ų | 153.4 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 132.7 | 157.5 | -91.1 | -178.4 | 174 | 178.7 | 0 | 108.2 | K808 | K808-K810 PolarHBondContact O-N 3.19Š|
| 811 | A | 24.2 | Very low | 24.1 | Very low | 90 Ų | 90 | 154.1 Ų | 154.1 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 146.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112 | E813 | A811-E813 PolarHBondContact O-N 3.03Š|
| 812 | P | 25.5 | Very low | 24.5 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 116.7 | -173.7 | 30.1 | -32.1 | 0 | 0 | 0 | 110.8 | R814 | P812-R814 PolarHBondContact O-N 3.21Š|
| 813 | E | 24.6 | Very low | 24.5 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 116.2 | 171.1 | -79.9 | -173.4 | 145 | 0 | 0 | 110.1 | A811 S815 | A811-E813 PolarHBondContact O-N 3.03Å; E813-S815 PolarHBondContact O-N 3.46Å |
| 814 | R | 23.3 | Very low | 24.5 | Very low | 230 Ų | 230 | 152.2 Ų | 152.2 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 127.2 | 175.8 | -88.9 | 177.6 | 168.1 | 179.2 | -3.5 | 110.7 | P812 R816 | P812-R814 PolarHBondContact O-N 3.21Å; R814-R816 PolarHBondContact O-N 3.37Å |
| 815 | S | 24.1 | Very low | 24.5 | Very low | 110 Ų | 110 | 155.1 Ų | 155.1 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -38.5 | 113.5 | 166.9 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | E813 | E813-S815 PolarHBondContact O-N 3.46Š| ||
| 816 | R | 25.1 | Very low | 24.4 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | trans | -80.1 | 117.4 | 179.7 | -66.5 | -175.6 | -178.8 | -174.1 | -0.6 | 110.5 | T621 R814 | T621-R816 PolarHBondContact OG1-NH1 2.83Å; R814-R816 PolarHBondContact O-N 3.37Å | ||
| 817 | L | 25 | Very low | 24.4 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -93.4 | 122.8 | 173.6 | -88.9 | 147.9 | 0 | 0 | 0 | 109.7 | K819 | L817-K819 PolarHBondContact O-N 3.38Š| ||
| 818 | I | 23.6 | Very low | 24.4 | Very low | 130 Ų | 130 | 150.8 Ų | 150.8 | 67% | 0.667 | 80% | 0.802 | S | S | * | * | trans | -75.4 | 114.6 | 179.3 | -60.2 | 168.9 | 0 | 0 | 0 | 108.8 | T620 | T620-I818 HydrophobicContact CG2-CG2 3.98Š| ||
| 819 | K | 25.2 | Very low | 24.3 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -124.6 | 123.8 | 167.2 | -88.5 | -171.2 | 177.3 | -178.6 | 0 | 110.2 | L817 | L817-K819 PolarHBondContact O-N 3.38Š| ||
| 820 | L | 24.9 | Very low | 24.2 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -69.8 | 127.9 | 178.8 | -67.4 | 148.9 | 0 | 0 | 0 | 110.2 | ||||
| 821 | N | 25.5 | Very low | 24.1 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -148.1 | 140 | 165.3 | -129.4 | 7.9 | 0 | 0 | 0 | 111.6 | ||||
| 822 | P | 30.4 | Very low | 24 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -95.1 | 151.9 | -171.5 | 35.9 | -31.2 | 0 | 0 | 0 | 113.7 | ||||
| 823 | A | 23.5 | Very low | 23.9 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 91.2 | 93.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 824 | N | 23.5 | Very low | 23.8 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | 82.8 | 127.1 | 115.9 | -93.6 | -13.1 | 0 | 0 | 0 | 124.8 | |||||
| 825 | K | 23.8 | Very low | 24 | Very low | 187 Ų | 187 | 142.3 Ų | 142.3 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 84.4 | 102.8 | 154.2 | -65.7 | 179.6 | 177.8 | -177.6 | 0 | 117.1 | ||||
| 826 | V | 21.7 | Very low | 23.9 | Very low | 132 Ų | 132 | 145 Ų | 145 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | cis | 88.7 | 118.6 | 43.6 | -179.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 827 | S | 23.5 | Very low | 23.8 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | 141.5 | 106.2 | 144.8 | 50 | 0 | 0 | 0 | 0 | 110 | ||||
| 828 | T | 22.3 | Very low | 23.7 | Very low | 128 Ų | 128 | 144 Ų | 144 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | cis | 65.1 | 118.7 | 40.7 | 68.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 829 | V | 22.7 | Very low | 23.6 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -165.7 | 147 | 130.5 | 163.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 830 | S | 21.5 | Very low | 23.9 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -61.4 | 162.8 | -174.6 | 54.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 831 | V | 22.3 | Very low | 23.9 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -147.7 | 136.2 | 137.9 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 832 | S | 22.5 | Very low | 23.9 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | -95.7 | 153.2 | 179.4 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 833 | N | 22.8 | Very low | 23.5 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -145.9 | 135 | 158.7 | -96.6 | -22.1 | 0 | 0 | 0 | 111.6 | ||||
| 834 | K | 22.9 | Very low | 23.6 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -105.2 | 150.4 | 179.7 | -84.8 | -179.1 | 173.8 | 179.6 | 0 | 111.4 | ||||
| 835 | P | 27.5 | Very low | 23.6 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 163.3 | -176.9 | 35.8 | -24.1 | 0 | 0 | 0 | 114.4 | ||
| 836 | I | 22.3 | Very low | 23.6 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 142.9 | -170.5 | -68.1 | 166.8 | 0 | 0 | 0 | 111.3 | ||
| 837 | Q | 22.1 | Very low | 23.8 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 152.3 | 175.5 | -72.7 | 177.5 | -23.5 | 0 | 0 | 112.3 | ||
| 838 | V | 22.4 | Very low | 23.9 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | -134.4 | 140.7 | 170.8 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 839 | I | 23.4 | Very low | 23.9 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 76% | 0.759 | 83% | 0.825 | S | S | * | * | trans | -113.7 | 144.5 | -170.5 | -63.3 | 166.4 | 0 | 0 | 0 | 109.6 | ||||
| 840 | P | 31 | Very low | 24.1 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -104.3 | 150 | -177.4 | 37.8 | -29.8 | 0 | 0 | 0 | 114.7 | ||||
| 841 | D | 25.2 | Very low | 24.1 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 91% | 0.914 | 83% | 0.831 | S | S | * | * | trans | -96.5 | 146.6 | -178.5 | -83.2 | -35.3 | 0 | 0 | 0 | 114.2 | ||||
| 842 | K | 24.5 | Very low | 24.2 | Very low | 200 Ų | 200 | 149.5 Ų | 149.5 | 87% | 0.87 | 83% | 0.832 | S | S | * | * | trans | -104.2 | 149.9 | 175.3 | -71.9 | 178.5 | 172.2 | -177.2 | 0 | 110.8 | ||||
| 843 | A | 23.3 | Very low | 24.2 | Very low | 103 Ų | 103 | 150.5 Ų | 150.5 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | -160 | 131 | 150.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 844 | D | 24.2 | Very low | 24.2 | Very low | 152 Ų | 152 | 152 Ų | 152 | 81% | 0.813 | 84% | 0.836 | S | S | * | * | trans | -77.2 | 167.5 | 175.2 | -64.6 | -60.5 | 0 | 0 | 0 | 113.2 | ||||
| 845 | V | 24.2 | Very low | 24.2 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | 170 | 114.1 | 125.9 | 163.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 846 | N | 24.2 | Very low | 24 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 83% | 0.833 | S | S | * | * | trans | 38.2 | 121.2 | 139.7 | -56.5 | -18.6 | 0 | 0 | 0 | 124 | ||||
| 847 | N | 25.3 | Very low | 24.3 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | trans | -109.3 | 151.3 | 163 | -85.7 | -20 | 0 | 0 | 0 | 111.4 | ||||
| 848 | V | 25.5 | Very low | 24.3 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 89% | 0.891 | 83% | 0.828 | S | S | * | * | trans | -122.3 | 137.9 | 173.8 | 171.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 849 | S | 23.2 | Very low | 24.7 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 67% | 0.671 | 83% | 0.829 | S | S | * | * | trans | -74 | 160.9 | -174.7 | -48.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 850 | L | 25.2 | Very low | 24.8 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 94% | 0.942 | 83% | 0.828 | S | S | * | * | trans | -163.5 | 123 | 139.1 | -102.2 | 150.6 | 0 | 0 | 0 | 110.2 | ||||
| 851 | D | 22.4 | Very low | 24.7 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 75% | 0.754 | 83% | 0.833 | S | S | * | * | trans | -79.9 | 148.2 | -179.7 | -61.7 | -56.8 | 0 | 0 | 0 | 113.3 | ||||
| 852 | V | 24.4 | Very low | 24.7 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | -152 | 125.7 | 134 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 853 | T | 21.6 | Very low | 24.7 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | -83.8 | 145.9 | -179.6 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 854 | E | 23.4 | Very low | 24.8 | Very low | 199 Ų | 199 | 145.1 Ų | 145.1 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -154.4 | 124.8 | 147 | -115 | 172.8 | -159.4 | 0 | 0 | 111.1 | ||||
| 855 | S | 22.2 | Very low | 24.7 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -96.6 | 137.4 | -167.2 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 856 | V | 24 | Very low | 24.7 | Very low | 137 Ų | 137 | 147 Ų | 147 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | -123.3 | 136.8 | 168.9 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 857 | P | 28.9 | Very low | 24.8 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -88.4 | 143.8 | -166.5 | 9 | 10.1 | 0 | 0 | 0 | 113.2 | ||||
| 858 | N | 22.7 | Very low | 25 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -76.6 | 132.2 | 170 | -70.9 | -31.8 | 0 | 0 | 0 | 110.6 | ||||
| 859 | D | 29.2 | Very low | 25.1 | Very low | 164 Ų | 164 | 149 Ų | 149 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -130.8 | 98.9 | 161.1 | -139 | -1.6 | 0 | 0 | 0 | 107.5 | ||||
| 860 | D | 25.4 | Very low | 25.4 | Very low | 136 Ų | 136 | 149 Ų | 149 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -82.4 | 118.9 | 172.1 | -78.5 | -47 | 0 | 0 | 0 | 108.4 | ||||
| 861 | N | 29.3 | Very low | 25.7 | Very low | 162 Ų | 162 | 149 Ų | 149 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -158.7 | 101 | 147.6 | -98.1 | -40.9 | 0 | 0 | 0 | 110.7 | ||||
| 862 | D | 25.1 | Very low | 26.4 | Very low | 148 Ų | 148 | 150.3 Ų | 150.3 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -63.7 | 125.5 | 164.1 | -74.3 | -46.3 | 0 | 0 | 0 | 111 | ||||
| 863 | N | 24 | Very low | 27.1 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 163 | 85.1 | 137.5 | -87 | -35.2 | 0 | 0 | 0 | 111 | ||||
| 864 | V | 25.9 | Very low | 27.9 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | trans | -144.1 | 83 | 155.3 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 865 | T | 23.1 | Very low | 28.8 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | -111 | 100.9 | 156.6 | 0.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 866 | Q | 24.3 | Very low | 29.6 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | trans | 141 | 63.5 | 158.9 | -78.4 | 178.7 | 8.7 | 0 | 0 | 112.4 | ||||
| 867 | E | 25.7 | Very low | 30.4 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 71% | 0.71 | 73% | 0.73 | S | S | * | * | trans | -139.3 | 79.6 | 158.1 | -72.4 | -172.1 | 173 | 0 | 0 | 109 | ||||
| 868 | I | 28.7 | Very low | 30.8 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 88% | 0.882 | 72% | 0.724 | S | S | * | * | trans | -113.4 | 77.4 | 155.2 | -57.4 | 175.8 | 0 | 0 | 0 | 104.4 | ||||
| 869 | E | 28.2 | Very low | 31.6 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -164.4 | -7.1 | 156.6 | -113.9 | 167.5 | -169.5 | 0 | 0 | 116.1 | ||
| 870 | N | 29.1 | Very low | 32.3 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 51% | 0.513 | 70% | 0.703 | S | S | . | * | trans | -106.6 | 75.5 | -178.8 | -68.9 | 11.8 | 0 | 0 | 0 | 113.5 | E872 D873 | N870-E872 VanDerWaalsContact C-N 3.26Å; N870-D873 WeakPolarHBondContact CB-OD2 3.32Å; N870-D873 PolarHBondContact ND2-OD2 2.92Å | ||
| 871 | Q | 32.6 | Very low | 32.9 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 84% | 0.836 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -79.1 | -5.7 | 165.4 | -80.4 | -174.9 | -15.6 | 0 | 0 | 113.3 | T874 | Q871-T874 PolarHBondContact O-OG1 3.08Š|
| 872 | E | 37 | Very low | 33.6 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -84.8 | -30 | 178.6 | -67.9 | -173.4 | 156.8 | 0 | 0 | 113.1 | N870 T874 V875 | N870-E872 VanDerWaalsContact C-N 3.26Å; E872-T874 VanDerWaalsContact C-N 3.29Å; E872-T874 PolarHBondContact O-N 3.1Å; E872-V875 PolarHBondContact O-N 3.4Å |
| 873 | D | 37.8 | Very low | 34.7 | Very low | 76 Ų | 76 | 140.3 Ų | 140.3 | 41% | 0.406 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -68.8 | -24.1 | -177.7 | -71.9 | -27.1 | 0 | 0 | 0 | 113.5 | N870 V875 E876 Q877 | N870-D873 WeakPolarHBondContact CB-OD2 3.32Å; N870-D873 PolarHBondContact ND2-OD2 2.92Å; D873-V875 VanDerWaalsContact C-N 3.29Å; D873-V875 PolarHBondContact O-N 3.35Å; D873-E876 PolarHBondContact O-N 3.2Å; D873-Q877 WeakPolarHBondContact O-CG 3.26Å; D873-Q877 PolarHBondContact O-N 3.19Å |
| 874 | T | 40 | Very low | 35.6 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 49% | 0.491 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -71 | -26.8 | -179.9 | 3.2 | 0 | 0 | 0 | 0 | 112.4 | Q871 E872 Y878 | Q871-T874 PolarHBondContact O-OG1 3.08Å; E872-T874 VanDerWaalsContact C-N 3.29Å; E872-T874 PolarHBondContact O-N 3.1Å; T874-Y878 PolarHBondContact O-N 3.11Å |
| 875 | V | 41.1 | Very low | 36 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 52% | 0.521 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -77.8 | -37.1 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | E872 D873 Y878 R879 | E872-V875 PolarHBondContact O-N 3.4Å; D873-V875 VanDerWaalsContact C-N 3.29Å; D873-V875 PolarHBondContact O-N 3.35Å; V875-Y878 PolarHBondContact O-N 2.92Å; V875-R879 PolarHBondContact O-N 3.43Å |
| 876 | E | 39.7 | Very low | 36.5 | Very low | 130 Ų | 130 | 140 Ų | 140 | 61% | 0.607 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -70.6 | -40 | 175.7 | -70.5 | -155.7 | 151.6 | 0 | 0 | 112.3 | D873 Y878 R879 E880 | D873-E876 PolarHBondContact O-N 3.2Å; E876-Y878 VanDerWaalsContact C-N 3.29Å; E876-Y878 PolarHBondContact O-N 3.36Å; E876-R879 PolarHBondContact O-N 3.02Å; E876-R879 VanDerWaalsContact O-N 3.07Å; E876-E880 PolarHBondContact O-N 3.18Å |
| 877 | Q | 40.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 58% | 0.575 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -58.7 | -40.8 | 172.1 | -77.7 | -177.7 | -6 | 0 | 0 | 111.9 | D873 R879 E880 M881 | D873-Q877 WeakPolarHBondContact O-CG 3.26Å; D873-Q877 PolarHBondContact O-N 3.19Å; Q877-R879 PolarHBondContact O-N 2.87Å; Q877-E880 PolarHBondContact O-N 3.43Å; Q877-M881 WeakPolarHBondContact O-CB 3.46Å; Q877-M881 VanDerWaalsContact O-CG 3.3Å; Q877-M881 WeakPolarHBondContact O-CG 3.45Å; Q877-M881 PolarHBondContact O-N 2.77Å |
| 878 | Y | 37.3 | Very low | 37 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -64.4 | -38.6 | 174.5 | -114.5 | -88 | 0 | 0 | 0 | 112.4 | T874 V875 E876 M881 V882 | T874-Y878 PolarHBondContact O-N 3.11Å; V875-Y878 PolarHBondContact O-N 2.92Å; E876-Y878 VanDerWaalsContact C-N 3.29Å; E876-Y878 PolarHBondContact O-N 3.36Å; Y878-M881 PolarHBondContact O-N 3.27Å; Y878-V882 WeakPolarHBondContact O-CG2 3.48Å; Y878-V882 PolarHBondContact O-N 3.11Å |
| 879 | R | 40.8 | Very low | 37.1 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 68% | 0.675 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67.5 | -36.4 | 175.6 | -76.6 | -178.6 | 174.2 | -172.7 | -1.1 | 112.6 | V875 E876 Q877 K883 | V875-R879 PolarHBondContact O-N 3.43Å; E876-R879 PolarHBondContact O-N 3.02Å; E876-R879 VanDerWaalsContact O-N 3.07Å; Q877-R879 PolarHBondContact O-N 2.87Å; R879-K883 PolarHBondContact O-N 2.86Å |
| 880 | E | 42.6 | Very low | 37.3 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 58% | 0.575 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.2 | -39.7 | 174.7 | -80 | -159.9 | 139.4 | 0 | 0 | 112.6 | E876 Q877 V882 K883 Q884 | E876-E880 PolarHBondContact O-N 3.18Å; Q877-E880 PolarHBondContact O-N 3.43Å; E880-V882 VanDerWaalsContact C-N 3.27Å; E880-V882 PolarHBondContact O-N 3.19Å; E880-K883 PolarHBondContact O-N 3.37Å; E880-K883 VanDerWaalsContact O-N 3.11Å; E880-Q884 WeakPolarHBondContact O-CG 3.21Å; E880-Q884 PolarHBondContact O-N 3.04Å |
| 881 | M | 38.3 | Very low | 37.3 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 64% | 0.64 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -61.5 | -35.8 | 177 | -75.5 | -178.4 | 67.2 | 0 | 0 | 112.5 | Q877 Y878 Q884 | Q877-M881 WeakPolarHBondContact O-CB 3.46Å; Q877-M881 VanDerWaalsContact O-CG 3.3Å; Q877-M881 WeakPolarHBondContact O-CG 3.45Å; Q877-M881 PolarHBondContact O-N 2.77Å; Y878-M881 PolarHBondContact O-N 3.27Å; M881-Q884 PolarHBondContact O-N 2.86Å |
| 882 | V | 44.9 | Very low | 37.3 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.6 | -38.5 | 174 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | Y878 E880 Q884 G885 | Y878-V882 WeakPolarHBondContact O-CG2 3.48Å; Y878-V882 PolarHBondContact O-N 3.11Å; E880-V882 VanDerWaalsContact C-N 3.27Å; E880-V882 PolarHBondContact O-N 3.19Å; V882-Q884 VanDerWaalsContact C-N 3.29Å; V882-Q884 PolarHBondContact O-N 3.4Å; V882-G885 PolarHBondContact O-N 3.45Å |
| 883 | K | 47.1 | Very low | 36.9 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 81% | 0.809 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.2 | -28.8 | 175.5 | -78.2 | -177.9 | 179.1 | 177.7 | 0 | 113.4 | R879 E880 G885 | R879-K883 PolarHBondContact O-N 2.86Å; E880-K883 PolarHBondContact O-N 3.37Å; E880-K883 VanDerWaalsContact O-N 3.11Å; K883-G885 VanDerWaalsContact C-N 3.29Å; K883-G885 PolarHBondContact O-N 3.05Å |
| 884 | Q | 44 | Very low | 36.8 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 61% | 0.612 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 5.7 | -178.2 | -69.9 | -173.2 | 10.3 | 0 | 0 | 114.6 | E880 M881 V882 R886 | E880-Q884 WeakPolarHBondContact O-CG 3.21Å; E880-Q884 PolarHBondContact O-N 3.04Å; M881-Q884 PolarHBondContact O-N 2.86Å; V882-Q884 VanDerWaalsContact C-N 3.29Å; V882-Q884 PolarHBondContact O-N 3.4Å; Q884-R886 PolarHBondContact O-N 2.9Å |
| 885 | G | 33 | Very low | 36.6 | Very low | 60 Ų | 60 | 140.4 Ų | 140.4 | 62% | 0.619 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.9 | 23.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | V882 K883 F887 | V882-G885 PolarHBondContact O-N 3.45Å; K883-G885 VanDerWaalsContact C-N 3.29Å; K883-G885 PolarHBondContact O-N 3.05Å; G885-F887 PolarHBondContact O-N 3.33Å |
| 886 | R | 33.1 | Very low | 36.2 | Very low | 212 Ų | 212 | 140.6 Ų | 140.6 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | trans | -82.5 | 54.2 | 178.5 | -75.7 | -165.9 | -179.9 | -174.7 | 2 | 113.4 | Q884 | Q884-R886 PolarHBondContact O-N 2.9Š| ||
| 887 | F | 31.5 | Very low | 36.1 | Very low | 196 Ų | 196 | 137.6 Ų | 137.6 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | trans | -126.2 | 103.3 | 159.9 | -82.7 | -79.1 | 0 | 0 | 0 | 108.5 | G885 | G885-F887 PolarHBondContact O-N 3.33Š| ||
| 888 | D | 29.2 | Very low | 36.1 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 131.1 | 170.2 | -71.4 | -40.1 | 0 | 0 | 0 | 109.2 | V890 | D888-V890 PolarHBondContact O-N 2.96Š|
| 889 | P | 32.6 | Very low | 36.2 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 119.9 | -176.8 | 26.5 | -30.8 | 0 | 0 | 0 | 110.4 | ||
| 890 | V | 31.1 | Very low | 36.2 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 129.2 | 175.2 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | D888 | D888-V890 PolarHBondContact O-N 2.96Š|
| 891 | P | 30.1 | Very low | 36.2 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 71% | 0.714 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 139.9 | -174 | 20.9 | -24.7 | 0 | 0 | 0 | 112.1 | L893 | P891-L893 PolarHBondContact O-N 3.39Å; P891-L893 VanDerWaalsContact O-N 3.13Å |
| 892 | D | 31.1 | Very low | 36.5 | Very low | 154 Ų | 154 | 125 Ų | 125 | 82% | 0.824 | 68% | 0.684 | S | S | * | * | trans | -48.3 | 109.3 | -173.4 | -69.3 | -49.1 | 0 | 0 | 0 | 113 | ||||
| 893 | L | 30.1 | Very low | 36.1 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 76% | 0.764 | 69% | 0.685 | S | S | * | * | trans | -65.8 | 123.6 | 166.4 | -83.6 | 112.4 | 0 | 0 | 0 | 109 | P891 | P891-L893 PolarHBondContact O-N 3.39Å; P891-L893 VanDerWaalsContact O-N 3.13Å | ||
| 894 | P | 35.7 | Very low | 35.9 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -68.7 | 145.6 | 175.3 | 30.1 | -30.8 | 0 | 0 | 0 | 108.1 | ||
| 895 | F | 34.4 | Very low | 36.2 | Very low | 207 Ų | 207 | 124.6 Ų | 124.6 | 91% | 0.908 | 68% | 0.676 | S | S | * | * | trans | 84.4 | 51.3 | -179.2 | -45.8 | -74.6 | 0 | 0 | 0 | 116.4 | ||||
| 896 | C | 33.4 | Very low | 37 | Very low | 91 Ų | 91 | 127 Ų | 127 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | trans | -84.5 | 115.1 | 158.1 | -145.1 | 0 | 0 | 0 | 0 | 108.9 | A900 | C896-A900 WeakPolarHBondContact SG-CB 3.38Š| ||
| 897 | S | 37 | Very low | 37.4 | Very low | 66 Ų | 66 | 119 Ų | 119 | 46% | 0.462 | 65% | 0.654 | S | S | . | * | trans | -65.3 | 155.4 | 176.8 | 67.2 | 0 | 0 | 0 | 0 | 111 | Q899 A900 A901 | S897-Q899 PolarHBondContact O-N 3Å; S897-A900 PolarHBondContact O-N 2.66Å; S897-A901 PolarHBondContact O-N 2.85Å | ||
| 898 | P | 41.6 | Very low | 38.2 | Very low | 106 Ų | 106 | 112.4 Ų | 112.4 | 69% | 0.688 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -55.2 | -30.2 | -175.8 | -26.5 | 33.7 | 0 | 0 | 0 | 114.3 | A901 I902 | P898-A901 PolarHBondContact O-N 3.34Å; P898-I902 WeakPolarHBondContact O-CG1 3.25Å; P898-I902 PolarHBondContact O-N 3.19Å |
| 899 | Q | 39.3 | Very low | 39.1 | Very low | 158 Ų | 158 | 109 Ų | 109 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.7 | -33.9 | 177.7 | -71.1 | 176.7 | -13.4 | 0 | 0 | 112.7 | S897 I902 F903 | S897-Q899 PolarHBondContact O-N 3Å; Q899-I902 PolarHBondContact O-N 3.4Å; Q899-F903 PolarHBondContact O-N 3.12Å |
| 900 | A | 40 | Very low | 39.3 | Very low | 39 Ų | 39 | 109.9 Ų | 109.9 | 32% | 0.322 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -74.5 | -31.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C896 S897 F903 K904 | C896-A900 WeakPolarHBondContact SG-CB 3.38Å; S897-A900 PolarHBondContact O-N 2.66Å; A900-F903 PolarHBondContact O-N 3.34Å; A900-K904 WeakPolarHBondContact O-CB 3.25Å; A900-K904 PolarHBondContact O-N 3.42Å |
| 901 | A | 41.9 | Very low | 39.7 | Very low | 53 Ų | 53 | 110.3 Ų | 110.3 | 44% | 0.438 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.1 | -44.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S897 P898 F903 K904 D905 | S897-A901 PolarHBondContact O-N 2.85Å; P898-A901 PolarHBondContact O-N 3.34Å; A901-F903 VanDerWaalsContact C-N 3.31Å; A901-F903 PolarHBondContact O-N 3.03Å; A901-K904 PolarHBondContact O-N 3.26Å; A901-D905 PolarHBondContact O-N 3.22Å |
| 902 | I | 44.8 | Very low | 40.4 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 55% | 0.549 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.3 | -43.1 | 174.7 | -64.9 | 166 | 0 | 0 | 0 | 110.4 | P898 Q899 D905 L906 | P898-I902 WeakPolarHBondContact O-CG1 3.25Å; P898-I902 PolarHBondContact O-N 3.19Å; Q899-I902 PolarHBondContact O-N 3.4Å; I902-D905 PolarHBondContact O-N 2.96Å; I902-L906 HydrophobicContact CG2-CD1 4.19Å; I902-L906 WeakPolarHBondContact O-CB 3.16Å; I902-L906 PolarHBondContact O-N 3.17Å |
| 903 | F | 37.6 | Very low | 40.9 | Very low | 160 Ų | 160 | 116.1 Ų | 116.1 | 70% | 0.702 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.1 | -36.5 | 179.2 | -145.8 | -87.3 | 0 | 0 | 0 | 112.4 | Q899 A900 A901 L906 A907 | Q899-F903 PolarHBondContact O-N 3.12Å; A900-F903 PolarHBondContact O-N 3.34Å; A901-F903 VanDerWaalsContact C-N 3.31Å; A901-F903 PolarHBondContact O-N 3.03Å; F903-L906 PolarHBondContact O-N 2.93Å; F903-A907 WeakPolarHBondContact O-CB 3.43Å; F903-A907 PolarHBondContact O-N 3.03Å |
| 904 | K | 41.8 | Very low | 41.5 | Very low | 153 Ų | 153 | 112.2 Ų | 112.2 | 67% | 0.665 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.9 | -39.6 | 175.4 | -162 | 179.2 | -177.3 | -176.8 | 0 | 111.6 | A900 A901 A907 S908 | A900-K904 WeakPolarHBondContact O-CB 3.25Å; A900-K904 PolarHBondContact O-N 3.42Å; A901-K904 PolarHBondContact O-N 3.26Å; K904-A907 PolarHBondContact O-N 3.41Å; K904-S908 VanDerWaalsContact O-CB 3.29Å; K904-S908 WeakPolarHBondContact O-CB 3.41Å; K904-S908 PolarHBondContact O-N 3.49Å; K904-S908 PolarHBondContact O-OG 3Å |
| 905 | D | 50.9 | Low | 42.1 | Very low | 108 Ų | 108 | 114.5 Ų | 114.5 | 58% | 0.578 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.3 | -35.6 | 173.9 | -104.7 | 6.1 | 0 | 0 | 0 | 112.6 | A901 I902 S908 N909 | A901-D905 PolarHBondContact O-N 3.22Å; I902-D905 PolarHBondContact O-N 2.96Å; D905-S908 WeakPolarHBondContact CA-OG 3.41Å; D905-S908 PolarHBondContact O-OG 3.22Å; D905-S908 VanDerWaalsContact O-OG 3.06Å; D905-N909 WeakPolarHBondContact O-CB 3.33Å; D905-N909 VanDerWaalsContact O-CG 3.32Å; D905-N909 PolarHBondContact O-N 3.21Å; D905-N909 PolarHBondContact O-ND2 3.19Å |
| 906 | L | 48.9 | Very low | 42.7 | Very low | 112 Ų | 112 | 111.8 Ų | 111.8 | 59% | 0.586 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.5 | -44.1 | 173.1 | -116.9 | 143.8 | 0 | 0 | 0 | 110.6 | I902 F903 N909 F910 | I902-L906 HydrophobicContact CG2-CD1 4.19Å; I902-L906 WeakPolarHBondContact O-CB 3.16Å; I902-L906 PolarHBondContact O-N 3.17Å; F903-L906 PolarHBondContact O-N 2.93Å; L906-N909 PolarHBondContact O-N 2.99Å; L906-F910 WeakPolarHBondContact O-CB 3.46Å; L906-F910 PolarHBondContact O-N 2.77Å |
| 907 | A | 43.3 | Very low | 43.3 | Very low | 43 Ų | 43 | 112 Ų | 112 | 36% | 0.355 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.8 | -39.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F903 K904 F910 M911 | F903-A907 WeakPolarHBondContact O-CB 3.43Å; F903-A907 PolarHBondContact O-N 3.03Å; K904-A907 PolarHBondContact O-N 3.41Å; A907-F910 PolarHBondContact O-N 2.78Å; A907-M911 WeakPolarHBondContact O-CB 3.47Å; A907-M911 VanDerWaalsContact O-CG 3.27Å; A907-M911 WeakPolarHBondContact O-CG 3.2Å; A907-M911 PolarHBondContact O-N 3.35Å |
| 908 | S | 47.6 | Very low | 43.6 | Very low | 58 Ų | 58 | 115.2 Ų | 115.2 | 41% | 0.406 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.3 | -41.8 | 175.6 | 68.6 | 0 | 0 | 0 | 0 | 111.2 | K904 D905 F910 M911 R912 | K904-S908 VanDerWaalsContact O-CB 3.29Å; K904-S908 WeakPolarHBondContact O-CB 3.41Å; K904-S908 PolarHBondContact O-N 3.49Å; K904-S908 PolarHBondContact O-OG 3Å; D905-S908 WeakPolarHBondContact CA-OG 3.41Å; D905-S908 PolarHBondContact O-OG 3.22Å; D905-S908 VanDerWaalsContact O-OG 3.06Å; S908-F910 VanDerWaalsContact C-N 3.34Å; S908-M911 PolarHBondContact O-N 3.39Å; S908-R912 WeakPolarHBondContact O-CB 3.27Å; S908-R912 PolarHBondContact O-N 2.93Å |
| 909 | N | 47.9 | Very low | 44 | Very low | 81 Ų | 81 | 115.2 Ų | 115.2 | 43% | 0.433 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.4 | -34.2 | 173 | -79.8 | -51.9 | 0 | 0 | 0 | 112.6 | D905 L906 R913 | D905-N909 WeakPolarHBondContact O-CB 3.33Å; D905-N909 VanDerWaalsContact O-CG 3.32Å; D905-N909 PolarHBondContact O-N 3.21Å; D905-N909 PolarHBondContact O-ND2 3.19Å; L906-N909 PolarHBondContact O-N 2.99Å; N909-R913 WeakPolarHBondContact O-CB 3.48Å; N909-R913 WeakPolarHBondContact O-CG 3.33Å; N909-R913 PolarHBondContact O-N 2.81Å |
| 910 | F | 37.3 | Very low | 44.5 | Very low | 137 Ų | 137 | 114.3 Ų | 114.3 | 60% | 0.601 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.2 | -47.5 | 176.3 | -168.7 | -100.4 | 0 | 0 | 0 | 110.6 | L906 A907 S908 R913 I914 | L906-F910 WeakPolarHBondContact O-CB 3.46Å; L906-F910 PolarHBondContact O-N 2.77Å; A907-F910 PolarHBondContact O-N 2.78Å; S908-F910 VanDerWaalsContact C-N 3.34Å; F910-R913 PolarHBondContact O-N 2.98Å; F910-I914 HydrophobicContact CD1-CD1 3.71Å; F910-I914 HydrophobicContact CE1-CD1 3.54Å; F910-I914 HydrophobicContact CE1-CG1 4.46Å; F910-I914 HydrophobicContact CZ-CD1 4.31Å; F910-I914 WeakPolarHBondContact O-CG1 3.42Å; F910-I914 PolarHBondContact O-N 3.34Å; F910-I914 VanDerWaalsContact O-N 3.08Å |
| 911 | M | 38.2 | Very low | 44.9 | Very low | 129 Ų | 129 | 118.9 Ų | 118.9 | 64% | 0.635 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.9 | -41.5 | 175.9 | -69.7 | -66.9 | -101 | 0 | 0 | 111.6 | A907 S908 R913 I914 | A907-M911 WeakPolarHBondContact O-CB 3.47Å; A907-M911 VanDerWaalsContact O-CG 3.27Å; A907-M911 WeakPolarHBondContact O-CG 3.2Å; A907-M911 PolarHBondContact O-N 3.35Å; S908-M911 PolarHBondContact O-N 3.39Å; M911-R913 VanDerWaalsContact C-N 3.3Å; M911-R913 PolarHBondContact O-N 2.92Å; M911-I914 PolarHBondContact O-N 2.82Å; M911-I914 HydrophobicContact SD-CD1 4.49Å |
| 912 | R | 45.2 | Very low | 45.1 | Very low | 177 Ų | 177 | 123.2 Ų | 123.2 | 67% | 0.668 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.4 | -31 | 176.6 | -158.5 | 179.6 | 80.7 | 148.9 | 6.2 | 112.9 | S908 | S908-R912 WeakPolarHBondContact O-CB 3.27Å; S908-R912 PolarHBondContact O-N 2.93Å |
| 913 | R | 42 | Very low | 45.7 | Very low | 209 Ų | 209 | 124.6 Ų | 124.6 | 79% | 0.789 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -77.2 | -25.1 | 176.4 | -85.3 | -178.6 | 173.8 | 175.5 | -0.2 | 113.6 | N909 F910 M911 D915 | N909-R913 WeakPolarHBondContact O-CB 3.48Å; N909-R913 WeakPolarHBondContact O-CG 3.33Å; N909-R913 PolarHBondContact O-N 2.81Å; F910-R913 PolarHBondContact O-N 2.98Å; M911-R913 VanDerWaalsContact C-N 3.3Å; M911-R913 PolarHBondContact O-N 2.92Å; R913-D915 VanDerWaalsContact C-N 3.29Å |
| 914 | I | 43.2 | Very low | 47 | Very low | 64 Ų | 64 | 118.7 Ų | 118.7 | 33% | 0.328 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.7 | -34.2 | 175.7 | -74.6 | 170.6 | 0 | 0 | 0 | 110.9 | F910 M911 F918 | F910-I914 HydrophobicContact CD1-CD1 3.71Å; F910-I914 HydrophobicContact CE1-CD1 3.54Å; F910-I914 HydrophobicContact CE1-CG1 4.46Å; F910-I914 HydrophobicContact CZ-CD1 4.31Å; F910-I914 WeakPolarHBondContact O-CG1 3.42Å; F910-I914 PolarHBondContact O-N 3.34Å; F910-I914 VanDerWaalsContact O-N 3.08Å; M911-I914 PolarHBondContact O-N 2.82Å; M911-I914 HydrophobicContact SD-CD1 4.49Å; I914-F918 HydrophobicContact CG2-CD2 4.02Å; I914-F918 HydrophobicContact CG2-CE2 4.14Å |
| 915 | D | 47.8 | Very low | 47.8 | Very low | 147 Ų | 147 | 113.9 Ų | 113.9 | 79% | 0.786 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.6 | -29.8 | -175.6 | -91.7 | -16.5 | 0 | 0 | 0 | 114.6 | R913 | R913-D915 VanDerWaalsContact C-N 3.29Å |
| 916 | E | 45.9 | Very low | 47.9 | Very low | 149 Ų | 149 | 113.6 Ų | 113.6 | 70% | 0.696 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -93.6 | -25.2 | -168.1 | -77.1 | -173.9 | 166.6 | 0 | 0 | 116.1 | ||
| 917 | N | 46.6 | Very low | 48.2 | Very low | 96 Ų | 96 | 117.5 Ų | 117.5 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | trans | -150.1 | 44.6 | -173.7 | -80.1 | -43.4 | 0 | 0 | 0 | 114.7 | T919 E920 F921 | N917-T919 PolarHBondContact O-N 3.44Å; N917-T919 VanDerWaalsContact O-N 3.16Å; N917-E920 PolarHBondContact O-N 2.95Å; N917-F921 PolarHBondContact O-N 3.13Å | ||
| 918 | F | 44.5 | Very low | 48.5 | Very low | 133 Ų | 133 | 122.1 Ų | 122.1 | 58% | 0.583 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -55.2 | -33.4 | -178 | -155.7 | -95.7 | 0 | 0 | 0 | 113.8 | I914 | I914-F918 HydrophobicContact CG2-CD2 4.02Å; I914-F918 HydrophobicContact CG2-CE2 4.14Å |
| 919 | T | 48.5 | Very low | 48.5 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 65% | 0.65 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -83.6 | -42.3 | -175.2 | -23.4 | 0 | 0 | 0 | 0 | 113.2 | N917 F921 W922 E923 | N917-T919 PolarHBondContact O-N 3.44Å; N917-T919 VanDerWaalsContact O-N 3.16Å; T919-F921 PolarHBondContact O-N 3.23Å; T919-W922 PolarHBondContact O-N 3.27Å; T919-E923 PolarHBondContact O-N 2.91Å |
| 920 | E | 51.3 | Low | 48.8 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.9 | -35 | 179.5 | -83 | -167.9 | 155.7 | 0 | 0 | 112.5 | N917 W922 E923 G924 | N917-E920 PolarHBondContact O-N 2.95Å; E920-W922 VanDerWaalsContact C-N 3.34Å; E920-W922 PolarHBondContact O-N 3.26Å; E920-E923 PolarHBondContact O-N 3.03Å; E920-G924 PolarHBondContact O-N 3.04Å |
| 921 | F | 47.9 | Very low | 49.9 | Very low | 136 Ų | 136 | 128 Ų | 128 | 60% | 0.596 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63 | -41.2 | 179.3 | -178.8 | -100.8 | 0 | 0 | 0 | 112.1 | N917 T919 N925 | N917-F921 PolarHBondContact O-N 3.13Å; T919-F921 PolarHBondContact O-N 3.23Å; F921-N925 WeakPolarHBondContact CE1-ND2 3.32Å; F921-N925 WeakPolarHBondContact CE2-ND2 3.47Å; F921-N925 WeakPolarHBondContact CZ-ND2 3.27Å; F921-N925 WeakPolarHBondContact O-CB 3.48Å; F921-N925 PolarHBondContact O-N 3.02Å; F921-N925 VanDerWaalsContact O-N 3.08Å; F921-N925 PolarHBondContact O-ND2 2.96Å |
| 922 | W | 45.5 | Very low | 50.4 | Low | 143 Ų | 143 | 128.7 Ų | 128.7 | 54% | 0.542 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -72.4 | -41.9 | 178.4 | -91.3 | 104.4 | 0 | 0 | 0 | 112.2 | T919 E920 G924 N925 L926 | T919-W922 PolarHBondContact O-N 3.27Å; E920-W922 VanDerWaalsContact C-N 3.34Å; E920-W922 PolarHBondContact O-N 3.26Å; W922-G924 VanDerWaalsContact C-N 3.32Å; W922-G924 PolarHBondContact O-N 3.28Å; W922-N925 PolarHBondContact O-N 2.98Å; W922-L926 HydrophobicContact CE3-CD1 4.13Å; W922-L926 VanDerWaalsContact O-CB 3.27Å; W922-L926 WeakPolarHBondContact O-CB 3.27Å; W922-L926 WeakPolarHBondContact O-CD1 3.42Å; W922-L926 PolarHBondContact O-N 3.26Å |
| 923 | E | 56.9 | Low | 50.2 | Low | 137 Ų | 137 | 123.7 Ų | 123.7 | 64% | 0.64 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.6 | -39 | 175.6 | -74 | -168 | 163.2 | 0 | 0 | 112.4 | T919 E920 R927 | T919-E923 PolarHBondContact O-N 2.91Å; E920-E923 PolarHBondContact O-N 3.03Å; E923-R927 PolarHBondContact O-N 3.28Å |
| 924 | G | 64.8 | Low | 49.7 | Very low | 35 Ų | 35 | 121 Ų | 121 | 36% | 0.361 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.8 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | E920 W922 R927 K928 | E920-G924 PolarHBondContact O-N 3.04Å; W922-G924 VanDerWaalsContact C-N 3.32Å; W922-G924 PolarHBondContact O-N 3.28Å; G924-R927 PolarHBondContact O-N 3.11Å; G924-K928 PolarHBondContact O-N 2.93Å; G924-K928 VanDerWaalsContact O-N 3.08Å |
| 925 | N | 59.5 | Low | 50.1 | Low | 52 Ų | 52 | 123.9 Ų | 123.9 | 28% | 0.278 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -75 | -33.8 | 178.9 | -75.4 | -32.9 | 0 | 0 | 0 | 112.8 | F921 W922 R927 K928 L929 | F921-N925 WeakPolarHBondContact CE1-ND2 3.32Å; F921-N925 WeakPolarHBondContact CE2-ND2 3.47Å; F921-N925 WeakPolarHBondContact CZ-ND2 3.27Å; F921-N925 WeakPolarHBondContact O-CB 3.48Å; F921-N925 PolarHBondContact O-N 3.02Å; F921-N925 VanDerWaalsContact O-N 3.08Å; F921-N925 PolarHBondContact O-ND2 2.96Å; W922-N925 PolarHBondContact O-N 2.98Å; N925-R927 VanDerWaalsContact C-N 3.32Å; N925-R927 PolarHBondContact O-N 2.8Å; N925-K928 PolarHBondContact O-N 2.82Å; N925-L929 WeakPolarHBondContact O-CB 3.49Å; N925-L929 PolarHBondContact O-N 2.89Å |
| 926 | L | 52.7 | Low | 50.2 | Low | 103 Ų | 103 | 122.7 Ų | 122.7 | 54% | 0.539 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.4 | -39 | 171 | -93.7 | 147.2 | 0 | 0 | 0 | 111.5 | W922 K930 | W922-L926 HydrophobicContact CE3-CD1 4.13Å; W922-L926 VanDerWaalsContact O-CB 3.27Å; W922-L926 WeakPolarHBondContact O-CB 3.27Å; W922-L926 WeakPolarHBondContact O-CD1 3.42Å; W922-L926 PolarHBondContact O-N 3.26Å; L926-K930 PolarHBondContact O-N 2.94Å |
| 927 | R | 55.3 | Low | 50.4 | Low | 194 Ų | 194 | 121.2 Ų | 121.2 | 73% | 0.732 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.4 | -46.3 | 171.7 | -98.8 | -177.1 | -178.3 | 161.5 | 3.9 | 112.4 | E923 G924 N925 L929 K930 D931 | E923-R927 PolarHBondContact O-N 3.28Å; G924-R927 PolarHBondContact O-N 3.11Å; N925-R927 VanDerWaalsContact C-N 3.32Å; N925-R927 PolarHBondContact O-N 2.8Å; R927-L929 VanDerWaalsContact C-N 3.33Å; R927-L929 PolarHBondContact O-N 3.47Å; R927-K930 WeakPolarHBondContact O-CB 2.91Å; R927-K930 PolarHBondContact O-N 2.76Å; R927-D931 PolarHBondContact O-N 2.8Å |
| 928 | K | 51.1 | Low | 50.6 | Low | 140 Ų | 140 | 122.7 Ų | 122.7 | 61% | 0.609 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.5 | -36.7 | 178.3 | -78.5 | -177.9 | 177.2 | 177.3 | 0 | 113.2 | G924 N925 K930 D931 L932 | G924-K928 PolarHBondContact O-N 2.93Å; G924-K928 VanDerWaalsContact O-N 3.08Å; N925-K928 PolarHBondContact O-N 2.82Å; K928-K930 VanDerWaalsContact C-N 3.35Å; K928-D931 PolarHBondContact O-N 2.94Å; K928-L932 PolarHBondContact O-N 3.41Å; K928-L932 VanDerWaalsContact O-N 3.13Å |
| 929 | L | 47.6 | Very low | 51 | Low | 86 Ų | 86 | 122.1 Ų | 122.1 | 45% | 0.45 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.8 | -38.3 | 174.8 | -84 | 159.9 | 0 | 0 | 0 | 111.5 | N925 R927 L932 G933 C934 | N925-L929 WeakPolarHBondContact O-CB 3.49Å; N925-L929 PolarHBondContact O-N 2.89Å; R927-L929 VanDerWaalsContact C-N 3.33Å; R927-L929 PolarHBondContact O-N 3.47Å; L929-L932 PolarHBondContact O-N 2.89Å; L929-G933 PolarHBondContact O-N 3.41Å; L929-C934 HydrophobicContact CD2-CB 4.34Å; L929-C934 PolarHBondContact O-N 3.28Å |
| 930 | K | 52.8 | Low | 51.2 | Low | 170 Ų | 170 | 123.1 Ų | 123.1 | 74% | 0.739 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.7 | -41 | 173.9 | -118.6 | 179.6 | 178.8 | 178 | 0 | 112.9 | L926 R927 K928 L932 G933 | L926-K930 PolarHBondContact O-N 2.94Å; R927-K930 WeakPolarHBondContact O-CB 2.91Å; R927-K930 PolarHBondContact O-N 2.76Å; K928-K930 VanDerWaalsContact C-N 3.35Å; K930-L932 PolarHBondContact O-N 2.94Å; K930-G933 PolarHBondContact O-N 3Å; K930-G933 VanDerWaalsContact O-N 3.16Å |
| 931 | D | 61 | Low | 51.2 | Low | 144 Ų | 144 | 122 Ų | 122 | 77% | 0.77 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.1 | -23.1 | 178 | -72.3 | -17.8 | 0 | 0 | 0 | 112.5 | R927 K928 G933 | R927-D931 PolarHBondContact O-N 2.8Å; K928-D931 PolarHBondContact O-N 2.94Å; D931-G933 VanDerWaalsContact C-N 3.29Å |
| 932 | L | 48 | Very low | 51.5 | Low | 143 Ų | 143 | 120.9 Ų | 120.9 | 75% | 0.749 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 5.6 | 173.3 | -76.7 | 163.6 | 0 | 0 | 0 | 113.7 | K928 L929 K930 C934 | K928-L932 PolarHBondContact O-N 3.41Å; K928-L932 VanDerWaalsContact O-N 3.13Å; L929-L932 PolarHBondContact O-N 2.89Å; K930-L932 PolarHBondContact O-N 2.94Å; L932-C934 VanDerWaalsContact C-N 3.33Å; L932-C934 PolarHBondContact O-N 3.45Å |
| 933 | G | 40.5 | Very low | 52 | Low | 71 Ų | 71 | 119.1 Ų | 119.1 | 73% | 0.732 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.5 | 26.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L929 K930 D931 | L929-G933 PolarHBondContact O-N 3.41Å; K930-G933 PolarHBondContact O-N 3Å; K930-G933 VanDerWaalsContact O-N 3.16Å; D931-G933 VanDerWaalsContact C-N 3.29Å |
| 934 | C | 33.5 | Very low | 51.5 | Low | 154 Ų | 154 | 117.5 Ų | 117.5 | 100% | 1.041 | 64% | 0.636 | S | S | * | * | trans | -82.8 | 0 | 167 | -70.4 | 0 | 0 | 0 | 0 | 112.2 | L929 L932 | L929-C934 HydrophobicContact CD2-CB 4.34Å; L929-C934 PolarHBondContact O-N 3.28Å; L932-C934 VanDerWaalsContact C-N 3.33Å; L932-C934 PolarHBondContact O-N 3.45Å |
Retrieved 934 of 934 residues in 374.3 ms
(Link to these results)