| 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 | 92 | Very high | 95.4 | Very high | 58 Ų | 58 | 35.8 Ų | 35.8 | 29% | 0.286 | 18% | 0.181 | S | C | . | . | 0 | 145.5 | 0 | 176.5 | -179.8 | -84.7 | 0 | 0 | 110 | D63 E93 D94 | M1-D63 WeakPolarHBondContact CB-OD2 3.17Å; M1-D63 PolarHBondContact N-OD2 3.36Å; M1-D63 PolarHBondContact O-N 2.82Å; M1-E93 WeakPolarHBondContact CE-OE1 3.45Å; M1-D94 VanDerWaalsContact N-CG 3.25Å; M1-D94 PolarHBondContact N-OD1 3.07Å; M1-D94 PolarHBondContact N-OD2 2.99Å | |||
| 2 | F | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.8 | 168.4 | 166.1 | -121.6 | 0 | 0 | 0 | 110.1 | A4 I30 V35 Y60 R61 L66 M68 L90 R91 A92 | F2-A4 HydrophobicContact CE2-CB 3.59Å; F2-A4 HydrophobicContact CZ-CB 3.57Å; F2-I30 HydrophobicContact CB-CG2 4.45Å; F2-I30 HydrophobicContact CD1-CG1 4.44Å; F2-I30 HydrophobicContact CD1-CG2 4.5Å; F2-I30 HydrophobicContact CD2-CG2 3.28Å; F2-I30 HydrophobicContact CE1-CD1 4.45Å; F2-I30 HydrophobicContact CE1-CG1 4.4Å; F2-I30 HydrophobicContact CE2-CG2 3.47Å; F2-I30 VanDerWaalsContact CE2-CG2 3.47Å; F2-I30 HydrophobicContact CG-CG2 3.84Å; F2-I30 HydrophobicContact CZ-CD1 4.21Å; F2-I30 HydrophobicContact CZ-CG1 4.41Å; F2-I30 HydrophobicContact CZ-CG2 4.18Å; F2-V35 HydrophobicContact CZ-CG2 4.36Å; F2-Y60 AromaticContact CE2-CE2 3.94Å; F2-Y60 HydrophobicContact CE2-CE2 3.94Å; F2-R61 CarbonylContact C-O 3.58Å; F2-R61 WeakPolarHBondContact CA-O 3.39Å; F2-L66 HydrophobicContact CB-CD2 4.34Å; F2-M68 HydrophobicContact CD1-CE 4.08Å; F2-M68 HydrophobicContact CD1-SD 4.21Å; F2-M68 HydrophobicContact CE1-CE 3.81Å; F2-M68 HydrophobicContact CE1-SD 4.46Å; F2-L90 HydrophobicContact CE1-CB 3.92Å; F2-L90 HydrophobicContact CZ-CB 4.26Å; F2-R91 WeakPolarHBondContact O-CA 3.48Å; F2-A92 HydrophobicContact CB-CB 4.39Å; F2-A92 HydrophobicContact CD1-CB 4.13Å; F2-A92 PolarHBondContact N-O 3.1Å; F2-A92 PolarHBondContact O-N 3.42Å |
| 3 | E | 98 | Very high | 95.4 | Very high | 36 Ų | 36 | 33.7 Ų | 33.7 | 17% | 0.168 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 126.6 | 170.2 | 177.7 | 167.5 | -167.1 | 0 | 0 | 110.1 | Y60 R61 T89 L90 R91 | E3-Y60 CarbonylContact O-C 3.55Å; E3-Y60 WeakPolarHBondContact O-CA 3.32Å; E3-R61 HydrophobicContact CB-CB 4.42Å; E3-R61 PolarHBondContact N-O 3.41Å; E3-R61 PolarHBondContact O-N 2.96Å; E3-T89 HydrophobicContact CG-CG2 4.05Å; E3-L90 CarbonylContact C-O 3.49Å; E3-L90 VanDerWaalsContact CA-O 3.3Å; E3-L90 WeakPolarHBondContact CA-O 3.37Å; E3-R91 HydrophobicContact CB-CG 4.23Å; E3-R91 VanDerWaalsContact CD-NE 3.34Å; E3-R91 HydrophobicContact CG-CG 3.97Å; E3-R91 IonicContact OE1-CZ 3.26Å; E3-R91 VanDerWaalsContact OE1-CZ 3.26Å; E3-R91 IonicContact OE1-NE 2.95Å; E3-R91 PolarHBondContact OE1-NE 2.87Å; E3-R91 IonicContact OE1-NH2 2.74Å; E3-R91 PolarHBondContact OE1-NH2 2.74Å; E3-R91 IonicContact OE2-NE 3.8Å |
| 4 | A | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 119.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F2 F57 T59 Y60 T89 L90 | F2-A4 HydrophobicContact CE2-CB 3.59Å; F2-A4 HydrophobicContact CZ-CB 3.57Å; A4-F57 HydrophobicContact CB-CD1 3.82Å; A4-F57 HydrophobicContact CB-CE1 3.89Å; A4-F57 HydrophobicContact CB-CG 4.34Å; A4-F57 HydrophobicContact CB-CZ 4.47Å; A4-T59 CarbonylContact C-O 3.56Å; A4-T59 WeakPolarHBondContact CA-O 3.31Å; A4-Y60 HydrophobicContact CB-CD2 3.79Å; A4-Y60 HydrophobicContact CB-CE2 3.95Å; A4-T89 CarbonylContact O-C 3.51Å; A4-T89 WeakPolarHBondContact O-CA 3.33Å; A4-L90 PolarHBondContact N-O 3.41Å; A4-L90 PolarHBondContact O-N 3.01Å |
| 5 | R | 97.8 | Very high | 95.6 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 19% | 0.192 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 116.9 | -178.4 | -175.9 | 175 | -171.6 | -80.3 | -1.9 | 110.8 | F57 D58 T59 I87 T89 E104 | R5-F57 WeakPolarHBondContact O-CB 3.34Å; R5-D58 IonicContact CZ-OD2 3.67Å; R5-D58 IonicContact NH1-OD2 2.68Å; R5-D58 PolarHBondContact NH1-OD2 2.84Å; R5-D58 PolarHBondContact O-N 2.94Å; R5-T59 PolarHBondContact N-O 3.08Å; R5-I87 HydrophobicContact CG-CG2 3.83Å; R5-T89 HydrophobicContact CB-CG2 4.34Å; R5-E104 IonicContact NE-OE1 3.96Å |
| 6 | L | 96.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 111.6 | -179.2 | -167.8 | 67.7 | 0 | 0 | 0 | 110.1 | Q8 I11 L12 F57 I87 I88 M244 | L6-Q8 VanDerWaalsContact C-N 3.33Å; L6-Q8 WeakPolarHBondContact CD2-O 3.47Å; L6-Q8 PolarHBondContact O-N 3.03Å; L6-I11 HydrophobicContact CD2-CB 4.04Å; L6-I11 HydrophobicContact CD2-CG2 4.45Å; L6-L12 HydrophobicContact CD2-CB 4.21Å; L6-F57 HydrophobicContact CB-CD1 4.13Å; L6-F57 HydrophobicContact CB-CE1 4.36Å; L6-F57 HydrophobicContact CD1-CD1 3.99Å; L6-F57 HydrophobicContact CD1-CE1 4.18Å; L6-I87 WeakPolarHBondContact O-CA 3.3Å; L6-I88 PolarHBondContact N-O 3.02Å; L6-I88 PolarHBondContact O-N 3.2Å; L6-M244 HydrophobicContact CD1-CE 3.69Å; L6-M244 HydrophobicContact CD1-SD 3.96Å |
| 7 | V | 95 | Very high | 95.6 | Very high | 74 Ų | 74 | 34.6 Ų | 34.6 | 45% | 0.448 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -63.8 | -40.3 | -179.8 | 175 | 0 | 0 | 0 | 0 | 111.3 | G9 D58 I87 | V7-G9 PolarHBondContact O-N 3.04Å; V7-D58 HydrophobicContact CG2-CB 3.6Å; V7-I87 HydrophobicContact CG1-CG1 4.49Å |
| 8 | Q | 91.2 | Very high | 95.7 | Very high | 120 Ų | 120 | 32.8 Ų | 32.8 | 56% | 0.561 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -93.2 | 71.8 | 174 | -67.5 | -176.1 | -7.8 | 0 | 0 | 110.4 | L6 S10 I11 | L6-Q8 VanDerWaalsContact C-N 3.33Å; L6-Q8 WeakPolarHBondContact CD2-O 3.47Å; L6-Q8 PolarHBondContact O-N 3.03Å; Q8-S10 PolarHBondContact O-N 2.83Å; Q8-I11 HydrophobicContact CB-CD1 3.89Å; Q8-I11 HydrophobicContact CB-CG1 4.2Å; Q8-I11 WeakPolarHBondContact O-CB 3.32Å; Q8-I11 PolarHBondContact O-N 3.46Å |
| 9 | G | 92.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V7 I11 L12 D86 I88 | V7-G9 PolarHBondContact O-N 3.04Å; G9-I11 PolarHBondContact O-N 3.39Å; G9-I11 VanDerWaalsContact O-N 3.16Å; G9-L12 PolarHBondContact O-N 2.81Å; G9-L12 VanDerWaalsContact O-N 3.11Å; G9-D86 VanDerWaalsContact CA-O 3.29Å; G9-D86 WeakPolarHBondContact CA-O 3.41Å; G9-D86 PolarHBondContact N-O 2.94Å; G9-D86 VanDerWaalsContact N-O 3.15Å; G9-I88 WeakPolarHBondContact O-CD1 3.44Å |
| 10 | S | 95.2 | Very high | 95.6 | Very high | 26 Ų | 26 | 31 Ų | 31 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.9 | -23 | 175.6 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | Q8 L12 K13 K14 N84 | Q8-S10 PolarHBondContact O-N 2.83Å; S10-L12 VanDerWaalsContact C-N 3.34Å; S10-K13 WeakPolarHBondContact O-CB 3.19Å; S10-K13 PolarHBondContact O-N 3.1Å; S10-K14 VanDerWaalsContact O-CG 3.31Å; S10-K14 WeakPolarHBondContact O-CG 3.34Å; S10-K14 PolarHBondContact O-N 3.02Å; S10-N84 VanDerWaalsContact CB-O 3.3Å; S10-N84 WeakPolarHBondContact CB-O 3.33Å; S10-N84 PolarHBondContact OG-O 2.84Å |
| 11 | I | 95.9 | Very high | 95.4 | Very high | 16 Ų | 16 | 33 Ų | 33 | 8% | 0.082 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 173.6 | -68.3 | 172.9 | 0 | 0 | 0 | 110.2 | L6 Q8 G9 K13 K14 V15 I241 M244 | L6-I11 HydrophobicContact CD2-CB 4.04Å; L6-I11 HydrophobicContact CD2-CG2 4.45Å; Q8-I11 HydrophobicContact CB-CD1 3.89Å; Q8-I11 HydrophobicContact CB-CG1 4.2Å; Q8-I11 WeakPolarHBondContact O-CB 3.32Å; Q8-I11 PolarHBondContact O-N 3.46Å; G9-I11 PolarHBondContact O-N 3.39Å; G9-I11 VanDerWaalsContact O-N 3.16Å; I11-K13 VanDerWaalsContact C-N 3.28Å; I11-K13 PolarHBondContact O-N 2.99Å; I11-K14 WeakPolarHBondContact O-CB 3.36Å; I11-K14 PolarHBondContact O-N 3.18Å; I11-K14 VanDerWaalsContact O-N 3.12Å; I11-V15 HydrophobicContact CG2-CG2 4.33Å; I11-V15 WeakPolarHBondContact O-CG2 3.4Å; I11-V15 PolarHBondContact O-N 3.41Å; I11-I241 HydrophobicContact CG2-CG2 3.43Å; I11-I241 VanDerWaalsContact CG2-CG2 3.43Å; I11-M244 HydrophobicContact CD1-SD 3.9Å; I11-M244 HydrophobicContact CG2-SD 3.9Å |
| 12 | L | 95.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 31 Ų | 31 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -37.2 | -179.3 | -169.4 | 64.2 | 0 | 0 | 0 | 111.6 | L6 G9 S10 V15 L16 W28 M75 L79 I88 L90 | L6-L12 HydrophobicContact CD2-CB 4.21Å; G9-L12 PolarHBondContact O-N 2.81Å; G9-L12 VanDerWaalsContact O-N 3.11Å; S10-L12 VanDerWaalsContact C-N 3.34Å; L12-V15 PolarHBondContact O-N 2.76Å; L12-L16 PolarHBondContact O-N 2.87Å; L12-W28 HydrophobicContact CD1-CH2 3.55Å; L12-W28 HydrophobicContact CD1-CZ3 3.84Å; L12-M75 HydrophobicContact CD2-CE 4.1Å; L12-L79 HydrophobicContact CB-CD1 4.33Å; L12-L79 HydrophobicContact CD2-CD1 4Å; L12-L79 HydrophobicContact CD2-CD2 3.95Å; L12-L79 HydrophobicContact CG-CD1 3.7Å; L12-I88 HydrophobicContact CD2-CG2 4.05Å; L12-L90 HydrophobicContact CD2-CD1 4.03Å; L12-L90 HydrophobicContact CD2-CD2 4.07Å; L12-L90 HydrophobicContact CD2-CG 4.33Å |
| 13 | K | 95.8 | Very high | 95.4 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 16% | 0.161 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.8 | -49.2 | 173 | -59.6 | 175.3 | 72 | 175.3 | 0 | 110.8 | S10 I11 L16 E17 L79 A82 N84 | S10-K13 WeakPolarHBondContact O-CB 3.19Å; S10-K13 PolarHBondContact O-N 3.1Å; I11-K13 VanDerWaalsContact C-N 3.28Å; I11-K13 PolarHBondContact O-N 2.99Å; K13-L16 PolarHBondContact O-N 2.98Å; K13-E17 WeakPolarHBondContact O-CG 3.46Å; K13-E17 PolarHBondContact O-N 2.88Å; K13-L79 VanDerWaalsContact CE-O 3.31Å; K13-L79 WeakPolarHBondContact CE-O 3.5Å; K13-L79 HydrophobicContact CG-CB 4.14Å; K13-A82 PolarHBondContact NZ-O 3.18Å; K13-N84 PolarHBondContact NZ-OD1 3.12Å |
| 14 | K | 96.6 | Very high | 95.1 | Very high | 81 Ų | 81 | 34.7 Ų | 34.7 | 35% | 0.352 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 179.9 | -68.9 | 168.5 | 176.2 | -170.7 | 0 | 112.1 | S10 I11 E17 A18 P220 L221 | S10-K14 VanDerWaalsContact O-CG 3.31Å; S10-K14 WeakPolarHBondContact O-CG 3.34Å; S10-K14 PolarHBondContact O-N 3.02Å; I11-K14 WeakPolarHBondContact O-CB 3.36Å; I11-K14 PolarHBondContact O-N 3.18Å; I11-K14 VanDerWaalsContact O-N 3.12Å; K14-E17 PolarHBondContact O-N 3.07Å; K14-A18 WeakPolarHBondContact O-CB 3.39Å; K14-A18 PolarHBondContact O-N 2.63Å; K14-P220 HydrophobicContact CD-CB 4.16Å; K14-P220 WeakPolarHBondContact CD-O 3.48Å; K14-P220 WeakPolarHBondContact CE-O 3.42Å; K14-P220 HydrophobicContact CG-CB 4.22Å; K14-P220 PolarHBondContact NZ-O 3.3Å; K14-L221 HydrophobicContact CB-CD2 3.43Å; K14-L221 VanDerWaalsContact CB-CD2 3.43Å; K14-L221 HydrophobicContact CB-CG 4.02Å; K14-L221 HydrophobicContact CD-CD2 4.29Å |
| 15 | V | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.7 | -50 | 175.3 | 168.4 | 0 | 0 | 0 | 0 | 110.2 | I11 L12 E17 A18 L19 L50 L221 I241 | I11-V15 HydrophobicContact CG2-CG2 4.33Å; I11-V15 WeakPolarHBondContact O-CG2 3.4Å; I11-V15 PolarHBondContact O-N 3.41Å; L12-V15 PolarHBondContact O-N 2.76Å; V15-E17 PolarHBondContact O-N 2.93Å; V15-A18 WeakPolarHBondContact O-CB 3.4Å; V15-A18 PolarHBondContact O-N 3.45Å; V15-A18 VanDerWaalsContact O-N 3.12Å; V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 HydrophobicContact CG1-CG 4.49Å; V15-L19 VanDerWaalsContact O-CG 3.32Å; V15-L19 WeakPolarHBondContact O-CG 3.37Å; V15-L19 PolarHBondContact O-N 2.84Å; V15-L50 HydrophobicContact CG1-CD1 3.91Å; V15-L50 HydrophobicContact CG1-CD2 3.57Å; V15-L50 HydrophobicContact CG1-CG 4.39Å; V15-L50 HydrophobicContact CG2-CD1 4.29Å; V15-L221 HydrophobicContact CG2-CD1 4.33Å; V15-L221 HydrophobicContact CG2-CD2 3.82Å; V15-I241 HydrophobicContact CG2-CD1 3.8Å |
| 16 | L | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.5 | -38.1 | 179.5 | -68.6 | -158.2 | 0 | 0 | 0 | 113.5 | L12 K13 A18 L19 K20 W28 L72 M75 L79 | L12-L16 PolarHBondContact O-N 2.87Å; K13-L16 PolarHBondContact O-N 2.98Å; L16-A18 PolarHBondContact O-N 2.82Å; L16-L19 PolarHBondContact O-N 2.77Å; L16-K20 WeakPolarHBondContact O-CB 3.38Å; L16-K20 WeakPolarHBondContact O-CG 3.1Å; L16-K20 PolarHBondContact O-N 3.02Å; L16-W28 HydrophobicContact CD2-CH2 4.16Å; L16-W28 HydrophobicContact CD2-CZ2 3.62Å; L16-L72 HydrophobicContact CD2-CD2 4.2Å; L16-M75 HydrophobicContact CD1-CB 3.6Å; L16-M75 HydrophobicContact CD1-CG 3.52Å; L16-M75 HydrophobicContact CD1-SD 3.68Å; L16-M75 HydrophobicContact CD2-SD 4.2Å; L16-M75 HydrophobicContact CG-SD 4.46Å; L16-L79 HydrophobicContact CD1-CD1 3.39Å; L16-L79 HydrophobicContact CD1-CG 4.24Å; L16-L79 HydrophobicContact CG-CD1 3.8Å |
| 17 | E | 95.1 | Very high | 94.8 | Very high | 68 Ų | 68 | 36.4 Ų | 36.4 | 32% | 0.318 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.6 | -30.5 | 174.4 | -69.5 | -62.4 | 126.2 | 0 | 0 | 112.4 | K13 K14 V15 K20 S76 | K13-E17 WeakPolarHBondContact O-CG 3.46Å; K13-E17 PolarHBondContact O-N 2.88Å; K14-E17 PolarHBondContact O-N 3.07Å; V15-E17 PolarHBondContact O-N 2.93Å; E17-K20 IonicContact OE1-NZ 3.66Å; E17-K20 PolarHBondContact OE1-NZ 2.95Å; E17-K20 VanDerWaalsContact OE2-CE 3.29Å; E17-K20 WeakPolarHBondContact OE2-CE 3.29Å; E17-K20 IonicContact OE2-NZ 3.8Å; E17-K20 PolarHBondContact OE2-NZ 2.87Å; E17-S76 PolarHBondContact OE1-OG 3.47Å |
| 18 | A | 97.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -77.4 | -19.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K14 V15 L16 A218 L221 L247 Y249 | K14-A18 WeakPolarHBondContact O-CB 3.39Å; K14-A18 PolarHBondContact O-N 2.63Å; V15-A18 WeakPolarHBondContact O-CB 3.4Å; V15-A18 PolarHBondContact O-N 3.45Å; V15-A18 VanDerWaalsContact O-N 3.12Å; L16-A18 PolarHBondContact O-N 2.82Å; A18-A218 HydrophobicContact CB-CB 3.89Å; A18-L221 HydrophobicContact CB-CD1 4.19Å; A18-L247 HydrophobicContact CB-CD2 3.73Å; A18-Y249 WeakPolarHBondContact CB-OH 3.33Å; A18-Y249 PolarHBondContact O-OH 2.82Å |
| 19 | L | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -103.4 | -42.8 | -174.8 | -67.3 | 178.2 | 0 | 0 | 0 | 113.8 | V15 L16 D21 L22 I23 L37 V48 L50 L72 L247 | V15-L19 HydrophobicContact CG1-CD1 3.84Å; V15-L19 HydrophobicContact CG1-CG 4.49Å; V15-L19 VanDerWaalsContact O-CG 3.32Å; V15-L19 WeakPolarHBondContact O-CG 3.37Å; V15-L19 PolarHBondContact O-N 2.84Å; L16-L19 PolarHBondContact O-N 2.77Å; L19-D21 PolarHBondContact O-N 2.8Å; L19-L22 PolarHBondContact O-N 2.94Å; L19-I23 HydrophobicContact CB-CD1 4.32Å; L19-I23 HydrophobicContact CB-CG1 4.23Å; L19-I23 HydrophobicContact CD2-CD1 4.36Å; L19-I23 WeakPolarHBondContact O-CG1 3.2Å; L19-I23 PolarHBondContact O-N 3.48Å; L19-L37 HydrophobicContact CD1-CD1 4.32Å; L19-V48 HydrophobicContact CD2-CB 4.28Å; L19-V48 HydrophobicContact CD2-CG1 4.05Å; L19-V48 HydrophobicContact CD2-CG2 3.36Å; L19-L50 HydrophobicContact CD1-CD2 4.35Å; L19-L72 HydrophobicContact CB-CD1 3.93Å; L19-L247 HydrophobicContact CD2-CD1 3.76Å; L19-L247 HydrophobicContact CD2-CD2 4.38Å |
| 20 | K | 92.8 | Very high | 95.2 | Very high | 28 Ų | 28 | 29.1 Ų | 29.1 | 12% | 0.122 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.2 | -162 | 71 | -178.2 | -175.6 | -177.6 | 0 | 116 | L16 E17 I23 L72 | L16-K20 WeakPolarHBondContact O-CB 3.38Å; L16-K20 WeakPolarHBondContact O-CG 3.1Å; L16-K20 PolarHBondContact O-N 3.02Å; E17-K20 IonicContact OE1-NZ 3.66Å; E17-K20 PolarHBondContact OE1-NZ 2.95Å; E17-K20 VanDerWaalsContact OE2-CE 3.29Å; E17-K20 WeakPolarHBondContact OE2-CE 3.29Å; E17-K20 IonicContact OE2-NZ 3.8Å; E17-K20 PolarHBondContact OE2-NZ 2.87Å; K20-I23 CarbonylContact C-O 3.58Å; K20-I23 WeakPolarHBondContact CA-O 3.26Å; K20-L72 HydrophobicContact CB-CB 4.34Å |
| 21 | D | 91.6 | Very high | 95.2 | Very high | 75 Ų | 75 | 29 Ų | 29 | 40% | 0.401 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -11.4 | -179.4 | -63.1 | -45.2 | 0 | 0 | 0 | 112.3 | L19 F214 K217 | L19-D21 PolarHBondContact O-N 2.8Å; D21-F214 HydrophobicContact CB-CD1 4.42Å; D21-K217 HydrophobicContact CB-CD 4.47Å; D21-K217 WeakPolarHBondContact OD2-CD 2.9Å; D21-K217 IonicContact OD2-NZ 3.26Å; D21-K217 PolarHBondContact OD2-NZ 2.91Å |
| 22 | L | 94.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 7% | 0.073 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -39.9 | 173.2 | -172.7 | 67.7 | 0 | 0 | 0 | 110.9 | L19 D41 V48 Y211 F214 F215 Y249 | L19-L22 PolarHBondContact O-N 2.94Å; L22-D41 HydrophobicContact CD1-CB 3.99Å; L22-D41 HydrophobicContact CG-CB 4.25Å; L22-V48 HydrophobicContact CD2-CB 4.25Å; L22-Y211 HydrophobicContact CD1-CD1 3.85Å; L22-Y211 HydrophobicContact CD1-CE1 4.11Å; L22-F214 HydrophobicContact CD1-CD2 4.11Å; L22-F215 HydrophobicContact CD1-CE1 4.26Å; L22-F215 HydrophobicContact CD2-CD1 4.31Å; L22-F215 HydrophobicContact CD2-CE1 3.87Å; L22-Y249 HydrophobicContact CD2-CD1 3.76Å; L22-Y249 HydrophobicContact CD2-CE1 3.85Å |
| 23 | I | 94.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | trans | -133.7 | 134.2 | -177.8 | 48.4 | 160.9 | 0 | 0 | 0 | 110.7 | L19 K20 A26 L37 M40 V48 L72 | L19-I23 HydrophobicContact CB-CD1 4.32Å; L19-I23 HydrophobicContact CB-CG1 4.23Å; L19-I23 HydrophobicContact CD2-CD1 4.36Å; L19-I23 WeakPolarHBondContact O-CG1 3.2Å; L19-I23 PolarHBondContact O-N 3.48Å; K20-I23 CarbonylContact C-O 3.58Å; K20-I23 WeakPolarHBondContact CA-O 3.26Å; I23-A26 HydrophobicContact CD1-CB 3.98Å; I23-L37 HydrophobicContact CD1-CD2 4Å; I23-M40 WeakPolarHBondContact CG2-O 3.39Å; I23-V48 HydrophobicContact CD1-CG1 3.59Å; I23-V48 HydrophobicContact CG1-CG1 4.23Å; I23-V48 HydrophobicContact CG2-CG1 4.42Å; I23-L72 HydrophobicContact CD1-CD1 3.51Å; I23-L72 HydrophobicContact CG1-CD1 3.68Å | ||
| 24 | N | 92.3 | Very high | 95.4 | Very high | 112 Ų | 112 | 33.7 Ų | 33.7 | 60% | 0.599 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -84.9 | -43 | -179.3 | -73.2 | -30.3 | 0 | 0 | 0 | 112.2 | L72 | N24-L72 PolarHBondContact O-N 3.46Š|
| 25 | E | 94.2 | Very high | 95.4 | Very high | 87 Ų | 87 | 29.9 Ų | 29.9 | 41% | 0.407 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 141.6 | -173.1 | -67.5 | 173.6 | 177.6 | 0 | 0 | 108.2 | V70 N71 M119 L121 | E25-V70 WeakPolarHBondContact CA-O 3.31Å; E25-N71 HydrophobicContact CG-CB 4.31Å; E25-N71 PolarHBondContact OE1-ND2 2.94Å; E25-N71 VanDerWaalsContact OE1-ND2 3.15Å; E25-M119 HydrophobicContact CB-SD 4.21Å; E25-M119 VanDerWaalsContact CD-SD 3.58Å; E25-M119 HydrophobicContact CG-CE 4.4Å; E25-M119 HydrophobicContact CG-SD 3.83Å; E25-L121 HydrophobicContact CB-CD1 4.25Å; E25-L121 HydrophobicContact CB-CD2 4.44Å |
| 26 | A | 95.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 156 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I23 L37 V70 L72 L121 | I23-A26 HydrophobicContact CD1-CB 3.98Å; A26-L37 HydrophobicContact CB-CD1 3.44Å; A26-L37 VanDerWaalsContact CB-CD1 3.44Å; A26-L37 HydrophobicContact CB-CD2 4.36Å; A26-L37 HydrophobicContact CB-CG 3.86Å; A26-V70 PolarHBondContact N-O 3.24Å; A26-V70 VanDerWaalsContact N-O 3.17Å; A26-V70 PolarHBondContact O-N 3.25Å; A26-L72 HydrophobicContact CB-CD1 4.42Å; A26-L121 VanDerWaalsContact C-CD1 3.49Å |
| 27 | C | 95.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 134 | 171.8 | -167 | 0 | 0 | 0 | 0 | 110.8 | M68 V123 | C27-M68 WeakPolarHBondContact CA-O 3.37Å; C27-V123 HydrophobicContact CB-CB 4.33Å; C27-V123 HydrophobicContact CB-CG1 4.37Å; C27-V123 HydrophobicContact CB-CG2 3.23Å |
| 28 | W | 95.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 106 | 172.3 | -71.3 | 50.7 | 0 | 0 | 0 | 107.2 | L12 L16 I30 V35 N36 L37 L50 M68 V70 M75 | L12-W28 HydrophobicContact CD1-CH2 3.55Å; L12-W28 HydrophobicContact CD1-CZ3 3.84Å; L16-W28 HydrophobicContact CD2-CH2 4.16Å; L16-W28 HydrophobicContact CD2-CZ2 3.62Å; W28-I30 HydrophobicContact CB-CD1 4.19Å; W28-I30 PolarHBondContact O-N 2.93Å; W28-V35 HydrophobicContact CD2-CG1 4.26Å; W28-V35 HydrophobicContact CE3-CG1 3.37Å; W28-V35 HydrophobicContact CZ3-CG1 3.83Å; W28-N36 CarbonylContact C-O 3.58Å; W28-N36 WeakPolarHBondContact CA-O 3.28Å; W28-L37 HydrophobicContact CG-CD1 4.45Å; W28-L37 HydrophobicContact CZ2-CD1 4.5Å; W28-L37 VanDerWaalsContact NE1-CD1 3.35Å; W28-L50 HydrophobicContact CH2-CD2 4.33Å; W28-M68 HydrophobicContact CB-CB 4.36Å; W28-M68 HydrophobicContact CB-CE 4.25Å; W28-M68 PolarHBondContact N-O 3.33Å; W28-M68 PolarHBondContact O-N 3.21Å; W28-V70 HydrophobicContact CG-CG2 4.44Å; W28-M75 HydrophobicContact CH2-CE 4.44Å; W28-M75 HydrophobicContact CZ2-SD 4.3Å |
| 29 | D | 95.2 | Very high | 95.4 | Very high | 35 Ų | 35 | 31 Ų | 31 | 19% | 0.187 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 106.5 | 177.7 | -68.6 | -50.4 | 0 | 0 | 0 | 109.3 | N36 Q125 | D29-N36 HydrophobicContact CB-CB 4.34Å; D29-N36 PolarHBondContact N-O 2.86Å; D29-N36 PolarHBondContact O-N 2.83Å; D29-Q125 PolarHBondContact OD2-NE2 3.01Å |
| 30 | I | 96.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.9 | 179.1 | -47.2 | -46.2 | 0 | 0 | 0 | 108.7 | F2 W28 V35 Y60 C62 N65 L66 M68 | F2-I30 HydrophobicContact CB-CG2 4.45Å; F2-I30 HydrophobicContact CD1-CG1 4.44Å; F2-I30 HydrophobicContact CD1-CG2 4.5Å; F2-I30 HydrophobicContact CD2-CG2 3.28Å; F2-I30 HydrophobicContact CE1-CD1 4.45Å; F2-I30 HydrophobicContact CE1-CG1 4.4Å; F2-I30 HydrophobicContact CE2-CG2 3.47Å; F2-I30 VanDerWaalsContact CE2-CG2 3.47Å; F2-I30 HydrophobicContact CG-CG2 3.84Å; F2-I30 HydrophobicContact CZ-CD1 4.21Å; F2-I30 HydrophobicContact CZ-CG1 4.41Å; F2-I30 HydrophobicContact CZ-CG2 4.18Å; W28-I30 HydrophobicContact CB-CD1 4.19Å; W28-I30 PolarHBondContact O-N 2.93Å; I30-V35 HydrophobicContact CD1-CB 4.09Å; I30-V35 HydrophobicContact CD1-CG1 3.64Å; I30-V35 HydrophobicContact CD1-CG2 3.88Å; I30-Y60 VanDerWaalsContact CG2-OH 3.3Å; I30-Y60 WeakPolarHBondContact CG2-OH 3.1Å; I30-C62 HydrophobicContact CG2-CB 4.17Å; I30-N65 VanDerWaalsContact O-CA 3.25Å; I30-N65 WeakPolarHBondContact O-CA 3.33Å; I30-L66 HydrophobicContact CB-CB 4.09Å; I30-L66 HydrophobicContact CG1-CB 4.34Å; I30-L66 PolarHBondContact N-O 3.11Å; I30-L66 PolarHBondContact O-N 3.49Å; I30-M68 HydrophobicContact CD1-CE 3.58Å; I30-M68 HydrophobicContact CG1-CE 3.5Å; I30-M68 VanDerWaalsContact CG1-CE 3.5Å; I30-M68 HydrophobicContact CG1-SD 4.47Å |
| 31 | S | 96.3 | Very high | 95.3 | Very high | 22 Ų | 22 | 33 Ų | 33 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 177 | 175.1 | 70.6 | 0 | 0 | 0 | 0 | 110.6 | S33 G34 Y60 C62 | S31-S33 PolarHBondContact O-N 2.88Å; S31-S33 VanDerWaalsContact O-N 3.08Å; S31-S33 PolarHBondContact OG-N 2.94Å; S31-S33 PolarHBondContact OG-OG 2.82Å; S31-G34 PolarHBondContact N-O 3.19Å; S31-G34 PolarHBondContact O-N 3.26Å; S31-G34 VanDerWaalsContact O-N 3.08Å; S31-Y60 VanDerWaalsContact O-CE1 3.28Å; S31-Y60 WeakPolarHBondContact O-CE1 3.46Å; S31-Y60 PolarHBondContact O-OH 2.93Å; S31-C62 VanDerWaalsContact C-SG 3.52Å; S31-C62 VanDerWaalsContact CA-SG 3.6Å |
| 32 | S | 96.4 | Very high | 95.3 | Very high | 93 Ų | 93 | 35 Ų | 35 | 65% | 0.65 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -20.6 | 176.5 | 61 | 0 | 0 | 0 | 0 | 114.4 | S54 | S32-S54 PolarHBondContact O-OG 3.35Š|
| 33 | S | 96.6 | Very high | 95.3 | Very high | 67 Ų | 67 | 37.5 Ų | 37.5 | 47% | 0.469 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -10.7 | 178.7 | 64.4 | 0 | 0 | 0 | 0 | 113.8 | S31 R53 S54 | S31-S33 PolarHBondContact O-N 2.88Å; S31-S33 VanDerWaalsContact O-N 3.08Å; S31-S33 PolarHBondContact OG-N 2.94Å; S31-S33 PolarHBondContact OG-OG 2.82Å; S33-R53 WeakPolarHBondContact O-CA 3.32Å; S33-S54 PolarHBondContact O-N 2.84Å; S33-S54 PolarHBondContact O-OG 2.67Å |
| 34 | G | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.6 | -161.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | S31 L52 Y60 | S31-G34 PolarHBondContact N-O 3.19Å; S31-G34 PolarHBondContact O-N 3.26Å; S31-G34 VanDerWaalsContact O-N 3.08Å; G34-L52 CarbonylContact C-O 3.59Å; G34-L52 VanDerWaalsContact CA-O 3.24Å; G34-L52 WeakPolarHBondContact CA-O 3.31Å; G34-Y60 WeakPolarHBondContact CA-OH 3.43Å; G34-Y60 PolarHBondContact O-OH 2.81Å |
| 35 | V | 97.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.1 | -177.4 | -178 | 0 | 0 | 0 | 0 | 108.9 | F2 W28 I30 L52 F57 Y60 | F2-V35 HydrophobicContact CZ-CG2 4.36Å; W28-V35 HydrophobicContact CD2-CG1 4.26Å; W28-V35 HydrophobicContact CE3-CG1 3.37Å; W28-V35 HydrophobicContact CZ3-CG1 3.83Å; I30-V35 HydrophobicContact CD1-CB 4.09Å; I30-V35 HydrophobicContact CD1-CG1 3.64Å; I30-V35 HydrophobicContact CD1-CG2 3.88Å; V35-L52 HydrophobicContact CB-CB 4.19Å; V35-L52 PolarHBondContact N-O 3.08Å; V35-L52 PolarHBondContact O-N 2.84Å; V35-F57 HydrophobicContact CG2-CE2 4.32Å; V35-F57 HydrophobicContact CG2-CZ 3.99Å; V35-Y60 HydrophobicContact CG2-CE2 4.02Å |
| 36 | N | 96.9 | Very high | 95.3 | Very high | 46 Ų | 46 | 36.9 Ų | 36.9 | 25% | 0.246 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 153.7 | 176.3 | -58.3 | -68.6 | 0 | 0 | 0 | 110.4 | W28 D29 L50 | W28-N36 CarbonylContact C-O 3.58Å; W28-N36 WeakPolarHBondContact CA-O 3.28Å; D29-N36 HydrophobicContact CB-CB 4.34Å; D29-N36 PolarHBondContact N-O 2.86Å; D29-N36 PolarHBondContact O-N 2.83Å; N36-L50 CarbonylContact C-O 3.58Å; N36-L50 VanDerWaalsContact CA-O 3.3Å; N36-L50 WeakPolarHBondContact CA-O 3.14Å |
| 37 | L | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 134 | 169.4 | 166.1 | 162.1 | 0 | 0 | 0 | 107.8 | L19 I23 A26 W28 V48 Q49 L50 | L19-L37 HydrophobicContact CD1-CD1 4.32Å; I23-L37 HydrophobicContact CD1-CD2 4Å; A26-L37 HydrophobicContact CB-CD1 3.44Å; A26-L37 VanDerWaalsContact CB-CD1 3.44Å; A26-L37 HydrophobicContact CB-CD2 4.36Å; A26-L37 HydrophobicContact CB-CG 3.86Å; W28-L37 HydrophobicContact CG-CD1 4.45Å; W28-L37 HydrophobicContact CZ2-CD1 4.5Å; W28-L37 VanDerWaalsContact NE1-CD1 3.35Å; L37-V48 HydrophobicContact CD2-CG1 3.98Å; L37-Q49 CarbonylContact O-C 3.52Å; L37-Q49 WeakPolarHBondContact O-CA 3.11Å; L37-L50 HydrophobicContact CB-CB 4.14Å; L37-L50 HydrophobicContact CB-CD2 4.42Å; L37-L50 HydrophobicContact CD2-CB 4.45Å; L37-L50 PolarHBondContact N-O 2.97Å; L37-L50 PolarHBondContact O-N 3Å |
| 38 | Q | 96 | Very high | 95.4 | Very high | 22 Ų | 22 | 37.4 Ų | 37.4 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 129.5 | 170.2 | -169.3 | -169 | 74.4 | 0 | 0 | 108.7 | L47 V48 L126 I128 | Q38-L47 HydrophobicContact CG-CD1 3.91Å; Q38-L47 HydrophobicContact CG-CD2 4.23Å; Q38-L47 HydrophobicContact CG-CG 4.2Å; Q38-V48 VanDerWaalsContact CA-O 3.28Å; Q38-V48 WeakPolarHBondContact CA-O 3.31Å; Q38-L126 PolarHBondContact NE2-O 2.95Å; Q38-L126 PolarHBondContact OE1-O 3.29Å; Q38-I128 VanDerWaalsContact NE2-CD1 3.34Å |
| 39 | S | 95.1 | Very high | 95.5 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 19% | 0.189 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 147.6 | 178.8 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | V48 | S39-V48 PolarHBondContact N-O 2.67Å; S39-V48 WeakPolarHBondContact O-CG1 3.45Å; S39-V48 PolarHBondContact O-N 3.12Å |
| 40 | M | 94.4 | Very high | 95.6 | Very high | 64 Ų | 64 | 37.9 Ų | 37.9 | 32% | 0.315 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 152.7 | 170.6 | -72.8 | -173.2 | -77.6 | 0 | 0 | 110.7 | I23 H44 S46 L47 L126 | I23-M40 WeakPolarHBondContact CG2-O 3.39Å; M40-H44 WeakPolarHBondContact CE-ND1 3.38Å; M40-H44 HydrophobicContact SD-CB 4.29Å; M40-H44 PolarHBondContact SD-ND1 2.77Å; M40-S46 CarbonylContact C-O 3.6Å; M40-S46 WeakPolarHBondContact CA-O 3.41Å; M40-L47 HydrophobicContact CG-CD1 3.54Å; M40-L126 HydrophobicContact CE-CD1 3.87Å; M40-L126 HydrophobicContact CG-CD1 4.04Å; M40-L126 HydrophobicContact SD-CD1 3.82Å |
| 41 | D | 94.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | trans | -67.6 | 164.6 | 165.2 | 88.5 | -73.9 | 0 | 0 | 0 | 111.1 | L22 S43 H44 V45 S46 Y211 | L22-D41 HydrophobicContact CD1-CB 3.99Å; L22-D41 HydrophobicContact CG-CB 4.25Å; D41-S43 PolarHBondContact O-N 2.78Å; D41-S43 VanDerWaalsContact O-N 3.08Å; D41-S43 WeakPolarHBondContact OD2-CA 3.37Å; D41-S43 WeakPolarHBondContact OD2-CB 3.41Å; D41-S43 PolarHBondContact OD2-N 2.85Å; D41-S43 PolarHBondContact OD2-OG 2.87Å; D41-H44 PolarHBondContact O-N 2.87Å; D41-H44 PolarHBondContact OD1-N 3Å; D41-V45 PolarHBondContact OD1-N 2.85Å; D41-S46 PolarHBondContact N-O 3.2Å; D41-S46 PolarHBondContact OD1-N 2.89Å; D41-Y211 PolarHBondContact OD2-OH 2.82Å | ||
| 42 | S | 91.5 | Very high | 95.8 | Very high | 116 Ų | 116 | 38 Ų | 38 | 81% | 0.811 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.6 | -178.7 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 43 | S | 93.4 | Very high | 95.8 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 46% | 0.462 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -4.6 | 178.9 | -29.4 | 0 | 0 | 0 | 0 | 112.7 | D41 V45 Y211 | D41-S43 PolarHBondContact O-N 2.78Å; D41-S43 VanDerWaalsContact O-N 3.08Å; D41-S43 WeakPolarHBondContact OD2-CA 3.37Å; D41-S43 WeakPolarHBondContact OD2-CB 3.41Å; D41-S43 PolarHBondContact OD2-N 2.85Å; D41-S43 PolarHBondContact OD2-OG 2.87Å; S43-V45 PolarHBondContact O-N 2.86Å; S43-Y211 WeakPolarHBondContact CB-OH 3.32Å; S43-Y211 PolarHBondContact OG-OH 2.79Å |
| 44 | H | 91.5 | Very high | 95.9 | Very high | 133 Ų | 133 | 35.8 Ų | 35.8 | 62% | 0.616 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 55.9 | 31.7 | -175.2 | -58.2 | -85.8 | 0 | 0 | 0 | 114 | M40 D41 | M40-H44 WeakPolarHBondContact CE-ND1 3.38Å; M40-H44 HydrophobicContact SD-CB 4.29Å; M40-H44 PolarHBondContact SD-ND1 2.77Å; D41-H44 PolarHBondContact O-N 2.87Å; D41-H44 PolarHBondContact OD1-N 3Å |
| 45 | V | 93.8 | Very high | 95.8 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 33% | 0.333 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -101 | -27.6 | 179.4 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | D41 S43 Y211 L251 A252 | D41-V45 PolarHBondContact OD1-N 2.85Å; S43-V45 PolarHBondContact O-N 2.86Å; V45-Y211 HydrophobicContact CB-CE1 4.47Å; V45-Y211 HydrophobicContact CB-CE2 4.11Å; V45-Y211 HydrophobicContact CG1-CD2 4.29Å; V45-Y211 HydrophobicContact CG1-CE2 3.76Å; V45-L251 HydrophobicContact CG1-CD1 3.89Å; V45-A252 PolarHBondContact O-N 2.97Å |
| 46 | S | 95.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140.5 | 179.7 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | M40 D41 F215 Y250 | M40-S46 CarbonylContact C-O 3.6Å; M40-S46 WeakPolarHBondContact CA-O 3.41Å; D41-S46 PolarHBondContact N-O 3.2Å; D41-S46 PolarHBondContact OD1-N 2.89Å; S46-F215 WeakPolarHBondContact OG-CE1 3.36Å; S46-F215 WeakPolarHBondContact OG-CZ 3.29Å; S46-Y250 WeakPolarHBondContact CA-O 3.43Å; S46-Y250 WeakPolarHBondContact CB-O 3.35Å; S46-Y250 PolarHBondContact OG-O 2.84Å |
| 47 | L | 96.1 | Very high | 95.7 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142 | 169 | -173.3 | 77.4 | 0 | 0 | 0 | 108.7 | Q38 M40 L126 I128 Y249 Y250 | Q38-L47 HydrophobicContact CG-CD1 3.91Å; Q38-L47 HydrophobicContact CG-CD2 4.23Å; Q38-L47 HydrophobicContact CG-CG 4.2Å; M40-L47 HydrophobicContact CG-CD1 3.54Å; L47-L126 HydrophobicContact CD1-CD1 3.75Å; L47-I128 HydrophobicContact CD2-CD1 3.79Å; L47-I128 HydrophobicContact CD2-CG1 4.05Å; L47-Y249 CarbonylContact O-C 3.55Å; L47-Y249 WeakPolarHBondContact O-CA 3.4Å; L47-Y250 HydrophobicContact CB-CD2 4.07Å; L47-Y250 HydrophobicContact CB-CG 4.34Å; L47-Y250 HydrophobicContact CD2-CD2 3.93Å; L47-Y250 HydrophobicContact CD2-CE2 4.37Å; L47-Y250 HydrophobicContact CD2-CG 4.4Å; L47-Y250 HydrophobicContact CG-CD2 4.28Å; L47-Y250 PolarHBondContact N-O 3.41Å; L47-Y250 VanDerWaalsContact N-O 3.08Å; L47-Y250 PolarHBondContact O-N 3.27Å |
| 48 | V | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.8 | 167.4 | 68.1 | 0 | 0 | 0 | 0 | 110.5 | L19 L22 I23 L37 Q38 S39 L247 K248 Y249 | L19-V48 HydrophobicContact CD2-CB 4.28Å; L19-V48 HydrophobicContact CD2-CG1 4.05Å; L19-V48 HydrophobicContact CD2-CG2 3.36Å; L22-V48 HydrophobicContact CD2-CB 4.25Å; I23-V48 HydrophobicContact CD1-CG1 3.59Å; I23-V48 HydrophobicContact CG1-CG1 4.23Å; I23-V48 HydrophobicContact CG2-CG1 4.42Å; L37-V48 HydrophobicContact CD2-CG1 3.98Å; Q38-V48 VanDerWaalsContact CA-O 3.28Å; Q38-V48 WeakPolarHBondContact CA-O 3.31Å; S39-V48 PolarHBondContact N-O 2.67Å; S39-V48 WeakPolarHBondContact O-CG1 3.45Å; S39-V48 PolarHBondContact O-N 3.12Å; V48-L247 HydrophobicContact CG2-CD1 3.43Å; V48-L247 VanDerWaalsContact CG2-CD1 3.43Å; V48-K248 WeakPolarHBondContact CA-O 3.43Å; V48-Y249 HydrophobicContact CB-CD1 4.07Å; V48-Y249 HydrophobicContact CB-CE1 4.32Å; V48-Y249 HydrophobicContact CG2-CD1 3.69Å; V48-Y249 HydrophobicContact CG2-CE1 3.63Å |
| 49 | Q | 97 | Very high | 95.7 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 116.3 | 174.6 | -174.9 | -174.8 | 34.6 | 0 | 0 | 109.2 | L37 I128 K248 Y250 | L37-Q49 CarbonylContact O-C 3.52Å; L37-Q49 WeakPolarHBondContact O-CA 3.11Å; Q49-I128 HydrophobicContact CB-CD1 4.39Å; Q49-I128 HydrophobicContact CG-CD1 4.44Å; Q49-K248 HydrophobicContact CB-CB 4.38Å; Q49-K248 PolarHBondContact N-O 2.84Å; Q49-K248 PolarHBondContact O-N 2.77Å; Q49-Y250 HydrophobicContact CB-CE2 4.11Å; Q49-Y250 PolarHBondContact OE1-OH 2.81Å |
| 50 | L | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.2 | 172.2 | 172.6 | 70 | 0 | 0 | 0 | 108.9 | V15 L19 W28 N36 L37 L52 I241 L247 | V15-L50 HydrophobicContact CG1-CD1 3.91Å; V15-L50 HydrophobicContact CG1-CD2 3.57Å; V15-L50 HydrophobicContact CG1-CG 4.39Å; V15-L50 HydrophobicContact CG2-CD1 4.29Å; L19-L50 HydrophobicContact CD1-CD2 4.35Å; W28-L50 HydrophobicContact CH2-CD2 4.33Å; N36-L50 CarbonylContact C-O 3.58Å; N36-L50 VanDerWaalsContact CA-O 3.3Å; N36-L50 WeakPolarHBondContact CA-O 3.14Å; L37-L50 HydrophobicContact CB-CB 4.14Å; L37-L50 HydrophobicContact CB-CD2 4.42Å; L37-L50 HydrophobicContact CD2-CB 4.45Å; L37-L50 PolarHBondContact N-O 2.97Å; L37-L50 PolarHBondContact O-N 3Å; L50-L52 HydrophobicContact CD1-CD2 4.03Å; L50-L52 HydrophobicContact CD1-CG 4.06Å; L50-L52 HydrophobicContact CD2-CD1 4.32Å; L50-L52 HydrophobicContact CD2-CG 4.4Å; L50-L52 HydrophobicContact CG-CG 4.2Å; L50-I241 HydrophobicContact CD1-CD1 3.48Å; L50-I241 VanDerWaalsContact CD1-CD1 3.48Å; L50-L247 HydrophobicContact CB-CD1 4.15Å; L50-L247 HydrophobicContact CD1-CD1 4.37Å |
| 51 | T | 97.9 | Very high | 96 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 122.6 | 170.3 | -58.5 | 0 | 0 | 0 | 0 | 108.7 | R53 G245 H246 | T51-R53 HydrophobicContact CG2-CG 4.36Å; T51-G245 CarbonylContact O-C 3.54Å; T51-G245 WeakPolarHBondContact O-CA 3.42Å; T51-H246 PolarHBondContact N-O 2.94Å; T51-H246 PolarHBondContact O-N 3.29Å; T51-H246 PolarHBondContact OG1-NE2 3.17Å |
| 52 | L | 98.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 105.5 | 170.6 | -59.4 | 176.9 | 0 | 0 | 0 | 108.6 | G34 V35 L50 F57 I241 M244 | G34-L52 CarbonylContact C-O 3.59Å; G34-L52 VanDerWaalsContact CA-O 3.24Å; G34-L52 WeakPolarHBondContact CA-O 3.31Å; V35-L52 HydrophobicContact CB-CB 4.19Å; V35-L52 PolarHBondContact N-O 3.08Å; V35-L52 PolarHBondContact O-N 2.84Å; L50-L52 HydrophobicContact CD1-CD2 4.03Å; L50-L52 HydrophobicContact CD1-CG 4.06Å; L50-L52 HydrophobicContact CD2-CD1 4.32Å; L50-L52 HydrophobicContact CD2-CG 4.4Å; L50-L52 HydrophobicContact CG-CG 4.2Å; L52-F57 HydrophobicContact CB-CE2 4.16Å; L52-F57 HydrophobicContact CB-CZ 4.11Å; L52-F57 HydrophobicContact CD1-CZ 4.38Å; L52-I241 HydrophobicContact CD2-CB 4.47Å; L52-I241 HydrophobicContact CD2-CD1 3.67Å; L52-I241 HydrophobicContact CD2-CG2 4.14Å; L52-M244 HydrophobicContact CB-CE 4.07Å; L52-M244 HydrophobicContact CD2-CE 3.95Å; L52-M244 HydrophobicContact CD2-CG 4.28Å; L52-M244 HydrophobicContact CD2-SD 4.16Å; L52-M244 HydrophobicContact CG-CE 4.42Å |
| 53 | R | 97.9 | Very high | 96.2 | Very high | 95 Ų | 95 | 52.1 Ų | 52.1 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 146.7 | -176.8 | -63.4 | -175.6 | -72.5 | -84.5 | 2 | 112.2 | S33 T51 E55 G56 F57 D243 M244 | S33-R53 WeakPolarHBondContact O-CA 3.32Å; T51-R53 HydrophobicContact CG2-CG 4.36Å; R53-E55 WeakPolarHBondContact CB-OE2 3.16Å; R53-E55 PolarHBondContact O-N 3.05Å; R53-G56 PolarHBondContact O-N 3.19Å; R53-F57 VanDerWaalsContact O-CD2 3.31Å; R53-F57 WeakPolarHBondContact O-CD2 3.33Å; R53-F57 WeakPolarHBondContact O-CE2 3.46Å; R53-D243 VanDerWaalsContact NH2-C 3.3Å; R53-D243 PolarHBondContact NH2-O 2.84Å; R53-M244 VanDerWaalsContact CB-O 3.27Å; R53-M244 WeakPolarHBondContact CB-O 3.28Å; R53-M244 WeakPolarHBondContact CG-O 3.4Å; R53-M244 PolarHBondContact N-O 2.84Å |
| 54 | S | 97.5 | Very high | 96.3 | Very high | 19 Ų | 19 | 57.3 Ų | 57.3 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -55.1 | -35.9 | 178.6 | 41.4 | 0 | 0 | 0 | 0 | 113.3 | S32 S33 G56 F57 | S32-S54 PolarHBondContact O-OG 3.35Å; S33-S54 PolarHBondContact O-N 2.84Å; S33-S54 PolarHBondContact O-OG 2.67Å; S54-G56 PolarHBondContact O-N 3.15Å; S54-F57 PolarHBondContact O-N 2.89Å; S54-F57 VanDerWaalsContact O-N 3.16Å |
| 55 | E | 96.1 | Very high | 96.4 | Very high | 149 Ų | 149 | 57.1 Ų | 57.1 | 70% | 0.696 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -68.1 | -15 | -179.9 | -57.7 | 78.7 | -169.3 | 0 | 0 | 113.3 | R53 F57 | R53-E55 WeakPolarHBondContact CB-OE2 3.16Å; R53-E55 PolarHBondContact O-N 3.05Å; E55-F57 VanDerWaalsContact C-N 3.29Å |
| 56 | G | 95.2 | Very high | 96.4 | Very high | 29 Ų | 29 | 55.5 Ų | 55.5 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -80 | -9.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R53 S54 | R53-G56 PolarHBondContact O-N 3.19Å; S54-G56 PolarHBondContact O-N 3.15Å |
| 57 | F | 96.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 10% | 0.096 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -100.7 | 145.9 | 177.8 | -60.5 | -91.8 | 0 | 0 | 0 | 109.7 | A4 R5 L6 V35 L52 R53 S54 E55 Y60 M244 | A4-F57 HydrophobicContact CB-CD1 3.82Å; A4-F57 HydrophobicContact CB-CE1 3.89Å; A4-F57 HydrophobicContact CB-CG 4.34Å; A4-F57 HydrophobicContact CB-CZ 4.47Å; R5-F57 WeakPolarHBondContact O-CB 3.34Å; L6-F57 HydrophobicContact CB-CD1 4.13Å; L6-F57 HydrophobicContact CB-CE1 4.36Å; L6-F57 HydrophobicContact CD1-CD1 3.99Å; L6-F57 HydrophobicContact CD1-CE1 4.18Å; V35-F57 HydrophobicContact CG2-CE2 4.32Å; V35-F57 HydrophobicContact CG2-CZ 3.99Å; L52-F57 HydrophobicContact CB-CE2 4.16Å; L52-F57 HydrophobicContact CB-CZ 4.11Å; L52-F57 HydrophobicContact CD1-CZ 4.38Å; R53-F57 VanDerWaalsContact O-CD2 3.31Å; R53-F57 WeakPolarHBondContact O-CD2 3.33Å; R53-F57 WeakPolarHBondContact O-CE2 3.46Å; S54-F57 PolarHBondContact O-N 2.89Å; S54-F57 VanDerWaalsContact O-N 3.16Å; E55-F57 VanDerWaalsContact C-N 3.29Å; F57-Y60 HydrophobicContact CB-CD2 4.19Å; F57-Y60 AromaticContact CD2-CD2 3.51Å; F57-Y60 HydrophobicContact CD2-CD2 3.51Å; F57-Y60 HydrophobicContact CD2-CE2 4.04Å; F57-Y60 HydrophobicContact CD2-CG 4.43Å; F57-Y60 AromaticContact CE2-CD2 3.95Å; F57-Y60 HydrophobicContact CE2-CD2 3.95Å; F57-Y60 HydrophobicContact CE2-CE2 4Å; F57-Y60 AromaticContact CG-CD2 3.86Å; F57-Y60 HydrophobicContact CG-CD2 3.86Å; F57-M244 HydrophobicContact CD2-CE 4.33Å; F57-M244 HydrophobicContact CE1-CE 4.2Å; F57-M244 HydrophobicContact CE2-CE 3.9Å; F57-M244 HydrophobicContact CZ-CE 3.84Å |
| 58 | D | 96.1 | Very high | 96.2 | Very high | 100 Ų | 100 | 57.8 Ų | 57.8 | 54% | 0.535 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -71.3 | -35.2 | 176.9 | 174.1 | 66.1 | 0 | 0 | 0 | 111.6 | R5 V7 | R5-D58 IonicContact CZ-OD2 3.67Å; R5-D58 IonicContact NH1-OD2 2.68Å; R5-D58 PolarHBondContact NH1-OD2 2.84Å; R5-D58 PolarHBondContact O-N 2.94Å; V7-D58 HydrophobicContact CG2-CB 3.6Å |
| 59 | T | 96.4 | Very high | 96.2 | Very high | 63 Ų | 63 | 57.9 Ų | 57.9 | 39% | 0.387 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 130.5 | 166.5 | -60.8 | 0 | 0 | 0 | 0 | 108 | A4 R5 | A4-T59 CarbonylContact C-O 3.56Å; A4-T59 WeakPolarHBondContact CA-O 3.31Å; R5-T59 PolarHBondContact N-O 3.08Å |
| 60 | Y | 97.8 | Very high | 96.2 | Very high | 45 Ų | 45 | 55.6 Ų | 55.6 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 122.7 | 174.6 | -166.3 | -89 | 0 | 0 | 0 | 109.9 | F2 E3 A4 I30 S31 G34 V35 F57 C62 | F2-Y60 AromaticContact CE2-CE2 3.94Å; F2-Y60 HydrophobicContact CE2-CE2 3.94Å; E3-Y60 CarbonylContact O-C 3.55Å; E3-Y60 WeakPolarHBondContact O-CA 3.32Å; A4-Y60 HydrophobicContact CB-CD2 3.79Å; A4-Y60 HydrophobicContact CB-CE2 3.95Å; I30-Y60 VanDerWaalsContact CG2-OH 3.3Å; I30-Y60 WeakPolarHBondContact CG2-OH 3.1Å; S31-Y60 VanDerWaalsContact O-CE1 3.28Å; S31-Y60 WeakPolarHBondContact O-CE1 3.46Å; S31-Y60 PolarHBondContact O-OH 2.93Å; G34-Y60 WeakPolarHBondContact CA-OH 3.43Å; G34-Y60 PolarHBondContact O-OH 2.81Å; V35-Y60 HydrophobicContact CG2-CE2 4.02Å; F57-Y60 HydrophobicContact CB-CD2 4.19Å; F57-Y60 AromaticContact CD2-CD2 3.51Å; F57-Y60 HydrophobicContact CD2-CD2 3.51Å; F57-Y60 HydrophobicContact CD2-CE2 4.04Å; F57-Y60 HydrophobicContact CD2-CG 4.43Å; F57-Y60 AromaticContact CE2-CD2 3.95Å; F57-Y60 HydrophobicContact CE2-CD2 3.95Å; F57-Y60 HydrophobicContact CE2-CE2 4Å; F57-Y60 AromaticContact CG-CD2 3.86Å; F57-Y60 HydrophobicContact CG-CD2 3.86Å; Y60-C62 HydrophobicContact CE1-CB 3.79Å |
| 61 | R | 97.5 | Very high | 96.1 | Very high | 118 Ų | 118 | 57.2 Ų | 57.2 | 45% | 0.445 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 127.6 | 175.6 | -178.9 | 177.6 | 174.7 | -169.3 | -8.1 | 109 | F2 E3 D63 | F2-R61 CarbonylContact C-O 3.58Å; F2-R61 WeakPolarHBondContact CA-O 3.39Å; E3-R61 HydrophobicContact CB-CB 4.42Å; E3-R61 PolarHBondContact N-O 3.41Å; E3-R61 PolarHBondContact O-N 2.96Å; R61-D63 IonicContact CZ-OD1 2.78Å; R61-D63 IonicContact CZ-OD2 3.41Å; R61-D63 IonicContact NE-OD1 2.73Å; R61-D63 PolarHBondContact NE-OD1 2.82Å; R61-D63 IonicContact NE-OD2 3.46Å; R61-D63 PolarHBondContact NE-OD2 2.94Å; R61-D63 IonicContact NH2-OD1 2.65Å; R61-D63 PolarHBondContact NH2-OD1 2.79Å; R61-D63 IonicContact NH2-OD2 2.57Å; R61-D63 PolarHBondContact NH2-OD2 3.21Å |
| 62 | C | 96.7 | Very high | 96 | Very high | 22 Ų | 22 | 56 Ų | 56 | 15% | 0.149 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 99.9 | 173.5 | 174.7 | 0 | 0 | 0 | 0 | 106.9 | I30 S31 Y60 R64 | I30-C62 HydrophobicContact CG2-CB 4.17Å; S31-C62 VanDerWaalsContact C-SG 3.52Å; S31-C62 VanDerWaalsContact CA-SG 3.6Å; Y60-C62 HydrophobicContact CE1-CB 3.79Å; C62-R64 VanDerWaalsContact C-N 3.32Å; C62-R64 PolarHBondContact SG-O 3.19Å |
| 63 | D | 94.5 | Very high | 95.8 | Very high | 78 Ų | 78 | 58.2 Ų | 58.2 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -73.9 | -28.5 | -177.2 | -61.2 | -28.4 | 0 | 0 | 0 | 112 | M1 R61 | M1-D63 WeakPolarHBondContact CB-OD2 3.17Å; M1-D63 PolarHBondContact N-OD2 3.36Å; M1-D63 PolarHBondContact O-N 2.82Å; R61-D63 IonicContact CZ-OD1 2.78Å; R61-D63 IonicContact CZ-OD2 3.41Å; R61-D63 IonicContact NE-OD1 2.73Å; R61-D63 PolarHBondContact NE-OD1 2.82Å; R61-D63 IonicContact NE-OD2 3.46Å; R61-D63 PolarHBondContact NE-OD2 2.94Å; R61-D63 IonicContact NH2-OD1 2.65Å; R61-D63 PolarHBondContact NH2-OD1 2.79Å; R61-D63 IonicContact NH2-OD2 2.57Å; R61-D63 PolarHBondContact NH2-OD2 3.21Å |
| 64 | R | 93.7 | Very high | 95.7 | Very high | 175 Ų | 175 | 56.1 Ų | 56.1 | 66% | 0.66 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -147.8 | 149.2 | 179.6 | -64.6 | -174.6 | 177.2 | -167.6 | 0.1 | 109.3 | C62 L66 | C62-R64 VanDerWaalsContact C-N 3.32Å; C62-R64 PolarHBondContact SG-O 3.19Å; R64-L66 PolarHBondContact O-N 2.98Å |
| 65 | N | 94.4 | Very high | 95.6 | Very high | 128 Ų | 128 | 55.2 Ų | 55.2 | 68% | 0.684 | 29% | 0.291 | S | S | * | . | trans | -58.3 | 132.8 | 172.3 | -68.9 | 2.7 | 0 | 0 | 0 | 109.5 | I30 | I30-N65 VanDerWaalsContact O-CA 3.25Å; I30-N65 WeakPolarHBondContact O-CA 3.33Å | ||
| 66 | L | 93.6 | Very high | 95.6 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.7 | -177.1 | -162.7 | 77.2 | 0 | 0 | 0 | 108.8 | F2 I30 R64 M68 A92 D94 | F2-L66 HydrophobicContact CB-CD2 4.34Å; I30-L66 HydrophobicContact CB-CB 4.09Å; I30-L66 HydrophobicContact CG1-CB 4.34Å; I30-L66 PolarHBondContact N-O 3.11Å; I30-L66 PolarHBondContact O-N 3.49Å; R64-L66 PolarHBondContact O-N 2.98Å; L66-M68 HydrophobicContact CD2-CG 3.54Å; L66-M68 HydrophobicContact CD2-SD 3.68Å; L66-M68 HydrophobicContact CG-CG 3.99Å; L66-A92 HydrophobicContact CD2-CB 3.81Å; L66-D94 WeakPolarHBondContact CD1-O 3.33Å |
| 67 | A | 93.4 | Very high | 95.6 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||
| 68 | M | 95 | Very high | 95.7 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 106.9 | -178.3 | -63.7 | -174.9 | -56.5 | 0 | 0 | 110.1 | F2 C27 W28 I30 L66 V70 A92 L99 L118 | F2-M68 HydrophobicContact CD1-CE 4.08Å; F2-M68 HydrophobicContact CD1-SD 4.21Å; F2-M68 HydrophobicContact CE1-CE 3.81Å; F2-M68 HydrophobicContact CE1-SD 4.46Å; C27-M68 WeakPolarHBondContact CA-O 3.37Å; W28-M68 HydrophobicContact CB-CB 4.36Å; W28-M68 HydrophobicContact CB-CE 4.25Å; W28-M68 PolarHBondContact N-O 3.33Å; W28-M68 PolarHBondContact O-N 3.21Å; I30-M68 HydrophobicContact CD1-CE 3.58Å; I30-M68 HydrophobicContact CG1-CE 3.5Å; I30-M68 VanDerWaalsContact CG1-CE 3.5Å; I30-M68 HydrophobicContact CG1-SD 4.47Å; L66-M68 HydrophobicContact CD2-CG 3.54Å; L66-M68 HydrophobicContact CD2-SD 3.68Å; L66-M68 HydrophobicContact CG-CG 3.99Å; M68-V70 HydrophobicContact CB-CG2 4.34Å; M68-V70 PolarHBondContact O-N 3.44Å; M68-A92 HydrophobicContact SD-CB 3.83Å; M68-L99 HydrophobicContact CE-CD1 4.37Å; M68-L99 HydrophobicContact SD-CD1 4Å; M68-L118 HydrophobicContact CB-CD1 4.27Å; M68-L118 HydrophobicContact CB-CD2 3.98Å; M68-L118 HydrophobicContact CG-CD1 3.99Å; M68-L118 HydrophobicContact CG-CD2 4.48Å; M68-L118 HydrophobicContact SD-CD1 4.33Å |
| 69 | G | 96.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 124.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L118 M119 | G69-L118 WeakPolarHBondContact O-CA 3.23Å; G69-L118 WeakPolarHBondContact O-CD2 3.36Å; G69-M119 VanDerWaalsContact C-CG 3.42Å; G69-M119 WeakPolarHBondContact CA-O 3.28Å; G69-M119 PolarHBondContact N-O 3.08Å; G69-M119 VanDerWaalsContact O-CG 3.27Å; G69-M119 WeakPolarHBondContact O-CG 3.23Å; G69-M119 PolarHBondContact O-N 3.04Å |
| 70 | V | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 132 | -171.7 | 178 | 0 | 0 | 0 | 0 | 110.4 | E25 A26 W28 M68 L72 M75 M116 L118 | E25-V70 WeakPolarHBondContact CA-O 3.31Å; A26-V70 PolarHBondContact N-O 3.24Å; A26-V70 VanDerWaalsContact N-O 3.17Å; A26-V70 PolarHBondContact O-N 3.25Å; W28-V70 HydrophobicContact CG-CG2 4.44Å; M68-V70 HydrophobicContact CB-CG2 4.34Å; M68-V70 PolarHBondContact O-N 3.44Å; V70-L72 HydrophobicContact CB-CD2 4.44Å; V70-L72 HydrophobicContact CG1-CD2 4.16Å; V70-L72 PolarHBondContact O-N 2.93Å; V70-M75 HydrophobicContact CG1-CB 3.83Å; V70-M75 HydrophobicContact CG1-CG 4.24Å; V70-M75 HydrophobicContact CG1-SD 3.72Å; V70-M116 HydrophobicContact CG1-CE 3.7Å; V70-M116 HydrophobicContact CG1-SD 4.25Å; V70-L118 HydrophobicContact CG2-CD2 3.95Å |
| 71 | N | 95.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 109 | 164.5 | -174.1 | -80.9 | 0 | 0 | 0 | 110.1 | E25 T73 S74 M75 M119 | E25-N71 HydrophobicContact CG-CB 4.31Å; E25-N71 PolarHBondContact OE1-ND2 2.94Å; E25-N71 VanDerWaalsContact OE1-ND2 3.15Å; N71-T73 VanDerWaalsContact C-N 3.31Å; N71-T73 PolarHBondContact O-N 3.08Å; N71-T73 PolarHBondContact OD1-N 2.83Å; N71-S74 PolarHBondContact O-N 3.27Å; N71-S74 VanDerWaalsContact O-N 3.13Å; N71-S74 WeakPolarHBondContact OD1-CB 3.25Å; N71-S74 PolarHBondContact OD1-N 2.83Å; N71-S74 PolarHBondContact OD1-OG 2.88Å; N71-M75 PolarHBondContact O-N 2.88Å; N71-M119 HydrophobicContact CB-CE 3.74Å |
| 72 | L | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.1 | -31 | -171 | -57.9 | -171.3 | 0 | 0 | 0 | 112.6 | L16 L19 K20 I23 N24 A26 V70 S76 | L16-L72 HydrophobicContact CD2-CD2 4.2Å; L19-L72 HydrophobicContact CB-CD1 3.93Å; K20-L72 HydrophobicContact CB-CB 4.34Å; I23-L72 HydrophobicContact CD1-CD1 3.51Å; I23-L72 HydrophobicContact CG1-CD1 3.68Å; N24-L72 PolarHBondContact O-N 3.46Å; A26-L72 HydrophobicContact CB-CD1 4.42Å; V70-L72 HydrophobicContact CB-CD2 4.44Å; V70-L72 HydrophobicContact CG1-CD2 4.16Å; V70-L72 PolarHBondContact O-N 2.93Å; L72-S76 WeakPolarHBondContact O-CB 3.43Å; L72-S76 PolarHBondContact O-N 3.01Å |
| 73 | T | 94.1 | Very high | 95.4 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 31% | 0.307 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 173.8 | -69.9 | 0 | 0 | 0 | 0 | 111.1 | N71 K77 | N71-T73 VanDerWaalsContact C-N 3.31Å; N71-T73 PolarHBondContact O-N 3.08Å; N71-T73 PolarHBondContact OD1-N 2.83Å; T73-K77 WeakPolarHBondContact O-CG 3.36Å; T73-K77 PolarHBondContact O-N 2.88Å; T73-K77 VanDerWaalsContact O-N 3.1Å |
| 74 | S | 95.6 | Very high | 95.3 | Very high | 50 Ų | 50 | 49 Ų | 49 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.3 | -44.9 | 179.1 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | N71 S76 K77 I78 | N71-S74 PolarHBondContact O-N 3.27Å; N71-S74 VanDerWaalsContact O-N 3.13Å; N71-S74 WeakPolarHBondContact OD1-CB 3.25Å; N71-S74 PolarHBondContact OD1-N 2.83Å; N71-S74 PolarHBondContact OD1-OG 2.88Å; S74-S76 PolarHBondContact O-N 3.28Å; S74-K77 WeakPolarHBondContact O-CB 3.24Å; S74-K77 PolarHBondContact O-N 3.25Å; S74-I78 PolarHBondContact O-N 2.91Å; S74-I78 VanDerWaalsContact O-N 3.15Å |
| 75 | M | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 175 | -164.8 | -172.5 | -179 | 0 | 0 | 111.4 | L12 L16 W28 V70 N71 K77 I78 L79 L90 L99 L101 M116 | L12-M75 HydrophobicContact CD2-CE 4.1Å; L16-M75 HydrophobicContact CD1-CB 3.6Å; L16-M75 HydrophobicContact CD1-CG 3.52Å; L16-M75 HydrophobicContact CD1-SD 3.68Å; L16-M75 HydrophobicContact CD2-SD 4.2Å; L16-M75 HydrophobicContact CG-SD 4.46Å; W28-M75 HydrophobicContact CH2-CE 4.44Å; W28-M75 HydrophobicContact CZ2-SD 4.3Å; V70-M75 HydrophobicContact CG1-CB 3.83Å; V70-M75 HydrophobicContact CG1-CG 4.24Å; V70-M75 HydrophobicContact CG1-SD 3.72Å; N71-M75 PolarHBondContact O-N 2.88Å; M75-K77 VanDerWaalsContact C-N 3.31Å; M75-K77 PolarHBondContact O-N 2.97Å; M75-I78 PolarHBondContact O-N 2.88Å; M75-I78 VanDerWaalsContact O-N 3.15Å; M75-L79 HydrophobicContact CG-CG 4.49Å; M75-L79 WeakPolarHBondContact O-CG 3.42Å; M75-L79 PolarHBondContact O-N 3.08Å; M75-L90 HydrophobicContact CE-CD1 4.48Å; M75-L90 HydrophobicContact CE-CD2 4.24Å; M75-L99 HydrophobicContact CE-CD2 4.19Å; M75-L101 HydrophobicContact CE-CD2 4.17Å; M75-L101 HydrophobicContact CG-CD2 4.45Å; M75-M116 HydrophobicContact CB-CE 4.08Å; M75-M116 HydrophobicContact CB-SD 3.82Å; M75-M116 HydrophobicContact CG-SD 3.81Å |
| 76 | S | 95.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.2 | -40.4 | 174.2 | 168.1 | 0 | 0 | 0 | 0 | 112.1 | E17 L72 S74 L79 K80 | E17-S76 PolarHBondContact OE1-OG 3.47Å; L72-S76 WeakPolarHBondContact O-CB 3.43Å; L72-S76 PolarHBondContact O-N 3.01Å; S74-S76 PolarHBondContact O-N 3.28Å; S76-L79 PolarHBondContact O-N 3.18Å; S76-K80 WeakPolarHBondContact O-CG 3.49Å; S76-K80 PolarHBondContact O-N 3.33Å; S76-K80 VanDerWaalsContact O-N 3.12Å |
| 77 | K | 95.6 | Very high | 95.7 | Very high | 134 Ų | 134 | 42.2 Ų | 42.2 | 58% | 0.583 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.9 | -42.2 | 175.6 | -72.7 | 170.5 | -176.7 | 173.8 | 0 | 112.3 | T73 S74 M75 K80 | T73-K77 WeakPolarHBondContact O-CG 3.36Å; T73-K77 PolarHBondContact O-N 2.88Å; T73-K77 VanDerWaalsContact O-N 3.1Å; S74-K77 WeakPolarHBondContact O-CB 3.24Å; S74-K77 PolarHBondContact O-N 3.25Å; M75-K77 VanDerWaalsContact C-N 3.31Å; M75-K77 PolarHBondContact O-N 2.97Å; K77-K80 WeakPolarHBondContact O-CB 3.49Å; K77-K80 PolarHBondContact O-N 2.68Å |
| 78 | I | 97.2 | Very high | 95.9 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 15% | 0.149 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.2 | -45.2 | 178.1 | -63 | 170.1 | 0 | 0 | 0 | 110.3 | S74 M75 K80 C81 L101 F103 Y114 M116 | S74-I78 PolarHBondContact O-N 2.91Å; S74-I78 VanDerWaalsContact O-N 3.15Å; M75-I78 PolarHBondContact O-N 2.88Å; M75-I78 VanDerWaalsContact O-N 3.15Å; I78-K80 PolarHBondContact O-N 3.21Å; I78-K80 VanDerWaalsContact O-N 3.17Å; I78-C81 VanDerWaalsContact O-CB 3.22Å; I78-C81 WeakPolarHBondContact O-CB 3.42Å; I78-C81 PolarHBondContact O-N 3.33Å; I78-L101 HydrophobicContact CG2-CD1 4.33Å; I78-L101 HydrophobicContact CG2-CD2 4.34Å; I78-F103 HydrophobicContact CG2-CE2 4.31Å; I78-F103 HydrophobicContact CG2-CZ 4.02Å; I78-F103 WeakPolarHBondContact O-CE2 3.39Å; I78-Y114 HydrophobicContact CG2-CD1 4.18Å; I78-Y114 HydrophobicContact CG2-CD2 4.32Å; I78-Y114 HydrophobicContact CG2-CG 3.79Å; I78-M116 HydrophobicContact CD1-CB 3.63Å; I78-M116 HydrophobicContact CD1-CG 4.42Å; I78-M116 HydrophobicContact CD1-SD 4.33Å |
| 79 | L | 96.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -21 | 178.4 | -69.1 | -173.2 | 0 | 0 | 0 | 113.8 | L12 K13 L16 M75 S76 C81 A82 I88 L101 F103 | L12-L79 HydrophobicContact CB-CD1 4.33Å; L12-L79 HydrophobicContact CD2-CD1 4Å; L12-L79 HydrophobicContact CD2-CD2 3.95Å; L12-L79 HydrophobicContact CG-CD1 3.7Å; K13-L79 VanDerWaalsContact CE-O 3.31Å; K13-L79 WeakPolarHBondContact CE-O 3.5Å; K13-L79 HydrophobicContact CG-CB 4.14Å; L16-L79 HydrophobicContact CD1-CD1 3.39Å; L16-L79 HydrophobicContact CD1-CG 4.24Å; L16-L79 HydrophobicContact CG-CD1 3.8Å; M75-L79 HydrophobicContact CG-CG 4.49Å; M75-L79 WeakPolarHBondContact O-CG 3.42Å; M75-L79 PolarHBondContact O-N 3.08Å; S76-L79 PolarHBondContact O-N 3.18Å; L79-C81 PolarHBondContact O-N 3.33Å; L79-A82 WeakPolarHBondContact O-CB 3.39Å; L79-A82 PolarHBondContact O-N 3.35Å; L79-I88 HydrophobicContact CD2-CD1 4Å; L79-L101 HydrophobicContact CD2-CD2 3.77Å; L79-F103 HydrophobicContact CD2-CE1 3.94Å; L79-F103 HydrophobicContact CD2-CZ 3.94Å |
| 80 | K | 95.6 | Very high | 96.2 | Very high | 129 Ų | 129 | 39 Ų | 39 | 56% | 0.561 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.6 | 171.4 | -76.5 | 174.1 | -178.2 | -173.6 | 0 | 113.2 | S76 K77 I78 A82 | S76-K80 WeakPolarHBondContact O-CG 3.49Å; S76-K80 PolarHBondContact O-N 3.33Å; S76-K80 VanDerWaalsContact O-N 3.12Å; K77-K80 WeakPolarHBondContact O-CB 3.49Å; K77-K80 PolarHBondContact O-N 2.68Å; I78-K80 PolarHBondContact O-N 3.21Å; I78-K80 VanDerWaalsContact O-N 3.17Å; K80-A82 VanDerWaalsContact C-N 3.29Å |
| 81 | C | 96.1 | Very high | 96.2 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 39% | 0.392 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -18.8 | 174.5 | -59 | 0 | 0 | 0 | 0 | 112.9 | I78 L79 F103 Y114 | I78-C81 VanDerWaalsContact O-CB 3.22Å; I78-C81 WeakPolarHBondContact O-CB 3.42Å; I78-C81 PolarHBondContact O-N 3.33Å; L79-C81 PolarHBondContact O-N 3.33Å; C81-F103 HydrophobicContact CB-CE2 4.21Å; C81-Y114 HydrophobicContact CB-CE1 4.34Å; C81-Y114 HydrophobicContact CB-CE2 4.03Å; C81-Y114 WeakPolarHBondContact CB-OH 3.34Å |
| 82 | A | 96.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -76.3 | 138.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K13 L79 K80 D86 I88 F103 | K13-A82 PolarHBondContact NZ-O 3.18Å; L79-A82 WeakPolarHBondContact O-CB 3.39Å; L79-A82 PolarHBondContact O-N 3.35Å; K80-A82 VanDerWaalsContact C-N 3.29Å; A82-D86 HydrophobicContact CB-CB 4.4Å; A82-I88 HydrophobicContact CB-CD1 3.96Å; A82-I88 HydrophobicContact CB-CG1 4.38Å; A82-F103 HydrophobicContact CB-CB 4.33Å; A82-F103 HydrophobicContact CB-CD1 4.04Å; A82-F103 HydrophobicContact CB-CD2 3.66Å; A82-F103 HydrophobicContact CB-CE1 4.26Å; A82-F103 HydrophobicContact CB-CE2 3.92Å; A82-F103 HydrophobicContact CB-CG 3.75Å; A82-F103 HydrophobicContact CB-CZ 4.2Å |
| 83 | G | 94.4 | Very high | 96.3 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | trans | -58.2 | 165.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112 | E85 D86 | G83-E85 VanDerWaalsContact C-N 3.32Å; G83-D86 VanDerWaalsContact N-CG 3.28Å; G83-D86 PolarHBondContact N-OD2 2.97Å | ||
| 84 | N | 93.1 | Very high | 96 | Very high | 105 Ų | 105 | 48.4 Ų | 48.4 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -76 | -24.4 | 177.6 | -70.7 | -19.8 | 0 | 0 | 0 | 112.8 | S10 K13 | S10-N84 VanDerWaalsContact CB-O 3.3Å; S10-N84 WeakPolarHBondContact CB-O 3.33Å; S10-N84 PolarHBondContact OG-O 2.84Å; K13-N84 PolarHBondContact NZ-OD1 3.12Å |
| 85 | E | 95.2 | Very high | 95.5 | Very high | 146 Ų | 146 | 53.5 Ų | 53.5 | 68% | 0.682 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -99.8 | -0.2 | 177.3 | -53.6 | -54.5 | 135.4 | 0 | 0 | 112.4 | G83 P106 | G83-E85 VanDerWaalsContact C-N 3.32Å; E85-P106 HydrophobicContact CB-CG 4.04Å; E85-P106 WeakPolarHBondContact O-CD 3.34Å; E85-P106 WeakPolarHBondContact O-CG 3.3Å |
| 86 | D | 97.1 | Very high | 95 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | trans | -67.2 | 140.4 | -178.1 | -72.9 | 4.9 | 0 | 0 | 0 | 110.3 | G9 A82 G83 E104 | G9-D86 VanDerWaalsContact CA-O 3.29Å; G9-D86 WeakPolarHBondContact CA-O 3.41Å; G9-D86 PolarHBondContact N-O 2.94Å; G9-D86 VanDerWaalsContact N-O 3.15Å; A82-D86 HydrophobicContact CB-CB 4.4Å; G83-D86 VanDerWaalsContact N-CG 3.28Å; G83-D86 PolarHBondContact N-OD2 2.97Å; D86-E104 WeakPolarHBondContact CA-O 3.43Å | ||
| 87 | I | 98 | Very high | 94.9 | Very high | 18 Ų | 18 | 60.9 Ų | 60.9 | 9% | 0.092 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 136.6 | 163.5 | -64.1 | 132.1 | 0 | 0 | 0 | 107.5 | R5 L6 V7 F103 E104 | R5-I87 HydrophobicContact CG-CG2 3.83Å; L6-I87 WeakPolarHBondContact O-CA 3.3Å; V7-I87 HydrophobicContact CG1-CG1 4.49Å; I87-F103 WeakPolarHBondContact O-CA 3.27Å; I87-E104 HydrophobicContact CB-CB 4.28Å; I87-E104 PolarHBondContact N-O 3.47Å; I87-E104 PolarHBondContact O-N 2.8Å |
| 88 | I | 98 | Very high | 94.9 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.7 | 176.3 | -62.3 | -179.4 | 0 | 0 | 0 | 109.5 | L6 G9 L12 L79 A82 L90 V102 F103 | L6-I88 PolarHBondContact N-O 3.02Å; L6-I88 PolarHBondContact O-N 3.2Å; G9-I88 WeakPolarHBondContact O-CD1 3.44Å; L12-I88 HydrophobicContact CD2-CG2 4.05Å; L79-I88 HydrophobicContact CD2-CD1 4Å; A82-I88 HydrophobicContact CB-CD1 3.96Å; A82-I88 HydrophobicContact CB-CG1 4.38Å; I88-L90 HydrophobicContact CG2-CD2 4.24Å; I88-V102 WeakPolarHBondContact CA-O 3.45Å; I88-F103 HydrophobicContact CB-CD1 4.24Å; I88-F103 HydrophobicContact CB-CE1 4.48Å; I88-F103 HydrophobicContact CD1-CD1 4.21Å; I88-F103 HydrophobicContact CD1-CE1 4.12Å; I88-F103 HydrophobicContact CG1-CD1 3.69Å; I88-F103 HydrophobicContact CG1-CE1 4.03Å; I88-F103 HydrophobicContact CG2-CD1 3.99Å; I88-F103 HydrophobicContact CG2-CE1 3.83Å |
| 89 | T | 98.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.4 | 173.6 | -53.6 | 0 | 0 | 0 | 0 | 109.8 | E3 A4 R5 R91 L101 V102 | E3-T89 HydrophobicContact CG-CG2 4.05Å; A4-T89 CarbonylContact O-C 3.51Å; A4-T89 WeakPolarHBondContact O-CA 3.33Å; R5-T89 HydrophobicContact CB-CG2 4.34Å; T89-R91 HydrophobicContact CG2-CG 4.06Å; T89-L101 WeakPolarHBondContact O-CA 3.38Å; T89-V102 PolarHBondContact N-O 2.91Å; T89-V102 PolarHBondContact O-N 3.35Å |
| 90 | L | 98.1 | Very high | 95 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 132.7 | 172.9 | -59.6 | -178.2 | 0 | 0 | 0 | 109 | F2 E3 A4 L12 M75 I88 L99 A100 L101 | F2-L90 HydrophobicContact CE1-CB 3.92Å; F2-L90 HydrophobicContact CZ-CB 4.26Å; E3-L90 CarbonylContact C-O 3.49Å; E3-L90 VanDerWaalsContact CA-O 3.3Å; E3-L90 WeakPolarHBondContact CA-O 3.37Å; A4-L90 PolarHBondContact N-O 3.41Å; A4-L90 PolarHBondContact O-N 3.01Å; L12-L90 HydrophobicContact CD2-CD1 4.03Å; L12-L90 HydrophobicContact CD2-CD2 4.07Å; L12-L90 HydrophobicContact CD2-CG 4.33Å; M75-L90 HydrophobicContact CE-CD1 4.48Å; M75-L90 HydrophobicContact CE-CD2 4.24Å; I88-L90 HydrophobicContact CG2-CD2 4.24Å; L90-L99 HydrophobicContact CB-CD1 4.25Å; L90-A100 WeakPolarHBondContact CA-O 3.15Å; L90-L101 HydrophobicContact CD2-CB 4.49Å; L90-L101 HydrophobicContact CD2-CD2 3.8Å; L90-L101 HydrophobicContact CD2-CG 3.85Å |
| 91 | R | 97.8 | Very high | 95.1 | Very high | 111 Ų | 111 | 50.5 Ų | 50.5 | 42% | 0.419 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.1 | 177.9 | -66.5 | -179.4 | 178.3 | 161.8 | -0.5 | 112.3 | F2 E3 T89 A100 | F2-R91 WeakPolarHBondContact O-CA 3.48Å; E3-R91 HydrophobicContact CB-CG 4.23Å; E3-R91 VanDerWaalsContact CD-NE 3.34Å; E3-R91 HydrophobicContact CG-CG 3.97Å; E3-R91 IonicContact OE1-CZ 3.26Å; E3-R91 VanDerWaalsContact OE1-CZ 3.26Å; E3-R91 IonicContact OE1-NE 2.95Å; E3-R91 PolarHBondContact OE1-NE 2.87Å; E3-R91 IonicContact OE1-NH2 2.74Å; E3-R91 PolarHBondContact OE1-NH2 2.74Å; E3-R91 IonicContact OE2-NE 3.8Å; T89-R91 HydrophobicContact CG2-CG 4.06Å; R91-A100 HydrophobicContact CB-CB 4.23Å; R91-A100 PolarHBondContact N-O 2.85Å; R91-A100 PolarHBondContact O-N 3.01Å |
| 92 | A | 97.4 | Very high | 95.2 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 5% | 0.05 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 145.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | F2 L66 M68 A96 L99 | F2-A92 HydrophobicContact CB-CB 4.39Å; F2-A92 HydrophobicContact CD1-CB 4.13Å; F2-A92 PolarHBondContact N-O 3.1Å; F2-A92 PolarHBondContact O-N 3.42Å; L66-A92 HydrophobicContact CD2-CB 3.81Å; M68-A92 HydrophobicContact SD-CB 3.83Å; A92-A96 HydrophobicContact CB-CB 3.88Å; A92-L99 HydrophobicContact CB-CD1 4.35Å |
| 93 | E | 95 | Very high | 95.3 | Very high | 111 Ų | 111 | 48.2 Ų | 48.2 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | trans | -75.7 | 168.9 | 169.3 | -66.6 | -63.1 | 164 | 0 | 0 | 111.6 | M1 N95 A96 | M1-E93 WeakPolarHBondContact CE-OE1 3.45Å; E93-N95 PolarHBondContact O-N 2.78Å; E93-A96 HydrophobicContact CB-CB 4.41Å; E93-A96 WeakPolarHBondContact O-CB 3.48Å; E93-A96 PolarHBondContact O-N 2.85Å | ||
| 94 | D | 87.5 | Confident | 95.5 | Very high | 51 Ų | 51 | 48.9 Ų | 48.9 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -26 | -176.9 | -73.9 | -26 | 0 | 0 | 0 | 114.1 | M1 L66 | M1-D94 VanDerWaalsContact N-CG 3.25Å; M1-D94 PolarHBondContact N-OD1 3.07Å; M1-D94 PolarHBondContact N-OD2 2.99Å; L66-D94 WeakPolarHBondContact CD1-O 3.33Å |
| 95 | N | 85.9 | Confident | 95.6 | Very high | 158 Ų | 158 | 44.5 Ų | 44.5 | 85% | 0.845 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.5 | 55.9 | 175.4 | -64.3 | -38.6 | 0 | 0 | 0 | 108.5 | E93 | E93-N95 PolarHBondContact O-N 2.78Š|
| 96 | A | 85.7 | Confident | 95.6 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 20% | 0.198 | 22% | 0.224 | C | C | . | . | trans | -77.2 | 130.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A92 E93 T98 L118 | A92-A96 HydrophobicContact CB-CB 3.88Å; E93-A96 HydrophobicContact CB-CB 4.41Å; E93-A96 WeakPolarHBondContact O-CB 3.48Å; E93-A96 PolarHBondContact O-N 2.85Å; A96-T98 VanDerWaalsContact C-N 3.29Å; A96-T98 WeakPolarHBondContact CB-O 3.48Å; A96-L118 HydrophobicContact CB-CD1 4.05Å; A96-L118 WeakPolarHBondContact O-CD1 3.39Å | ||
| 97 | D | 93.6 | Very high | 95.4 | Very high | 135 Ų | 135 | 44.9 Ų | 44.9 | 72% | 0.722 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -85.1 | -10.6 | 163.8 | -63.3 | -39.1 | 0 | 0 | 0 | 111.6 | L118 | D97-L118 PolarHBondContact O-N 2.97Š|
| 98 | T | 96.8 | Very high | 95 | Very high | 43 Ų | 43 | 51.4 Ų | 51.4 | 26% | 0.264 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 149 | -173 | 60.2 | 0 | 0 | 0 | 0 | 112.8 | A96 E115 M116 | A96-T98 VanDerWaalsContact C-N 3.29Å; A96-T98 WeakPolarHBondContact CB-O 3.48Å; T98-E115 WeakPolarHBondContact CB-OE1 3.34Å; T98-E115 HydrophobicContact CG2-CG 3.97Å; T98-E115 WeakPolarHBondContact CG2-OE1 3.48Å; T98-E115 PolarHBondContact OG1-OE1 3Å; T98-M116 CarbonylContact C-O 3.55Å; T98-M116 WeakPolarHBondContact CA-O 3.24Å; T98-M116 WeakPolarHBondContact CB-O 3.28Å |
| 99 | L | 97.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.1 | 169.7 | 173.7 | 65.7 | 0 | 0 | 0 | 108.3 | M68 M75 L90 A92 L101 E115 M116 L118 | M68-L99 HydrophobicContact CE-CD1 4.37Å; M68-L99 HydrophobicContact SD-CD1 4Å; M75-L99 HydrophobicContact CE-CD2 4.19Å; L90-L99 HydrophobicContact CB-CD1 4.25Å; A92-L99 HydrophobicContact CB-CD1 4.35Å; L99-L101 HydrophobicContact CG-CD1 4.28Å; L99-L101 WeakPolarHBondContact O-CD1 3.29Å; L99-E115 WeakPolarHBondContact O-CA 3.45Å; L99-M116 HydrophobicContact CB-CG 3.97Å; L99-M116 HydrophobicContact CD2-SD 4.36Å; L99-M116 PolarHBondContact N-O 2.75Å; L99-M116 PolarHBondContact O-N 2.88Å; L99-L118 HydrophobicContact CB-CD2 3.87Å; L99-L118 HydrophobicContact CB-CG 4.33Å |
| 100 | A | 98 | Very high | 94.6 | Very high | 32 Ų | 32 | 64.4 Ų | 64.4 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 136.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L90 R91 Y114 | L90-A100 WeakPolarHBondContact CA-O 3.15Å; R91-A100 HydrophobicContact CB-CB 4.23Å; R91-A100 PolarHBondContact N-O 2.85Å; R91-A100 PolarHBondContact O-N 3.01Å; A100-Y114 WeakPolarHBondContact CA-O 3.48Å |
| 101 | L | 98.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 114.2 | 176.2 | -56.6 | 94.5 | 0 | 0 | 0 | 108.6 | M75 I78 L79 T89 L90 L99 F103 Y114 M116 | M75-L101 HydrophobicContact CE-CD2 4.17Å; M75-L101 HydrophobicContact CG-CD2 4.45Å; I78-L101 HydrophobicContact CG2-CD1 4.33Å; I78-L101 HydrophobicContact CG2-CD2 4.34Å; L79-L101 HydrophobicContact CD2-CD2 3.77Å; T89-L101 WeakPolarHBondContact O-CA 3.38Å; L90-L101 HydrophobicContact CD2-CB 4.49Å; L90-L101 HydrophobicContact CD2-CD2 3.8Å; L90-L101 HydrophobicContact CD2-CG 3.85Å; L99-L101 HydrophobicContact CG-CD1 4.28Å; L99-L101 WeakPolarHBondContact O-CD1 3.29Å; L101-F103 HydrophobicContact CB-CE1 3.8Å; L101-F103 HydrophobicContact CB-CZ 4.01Å; L101-F103 HydrophobicContact CD2-CE1 4.39Å; L101-F103 HydrophobicContact CD2-CZ 4.38Å; L101-Y114 PolarHBondContact N-O 3.39Å; L101-Y114 PolarHBondContact O-N 3.33Å; L101-M116 HydrophobicContact CD1-CG 4.02Å; L101-M116 HydrophobicContact CD1-SD 4.3Å |
| 102 | V | 98.2 | Very high | 94.6 | Very high | 12 Ų | 12 | 63.5 Ų | 63.5 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.3 | 178.3 | -172.9 | 0 | 0 | 0 | 0 | 108.7 | I88 T89 E104 V111 S112 D113 | I88-V102 WeakPolarHBondContact CA-O 3.45Å; T89-V102 PolarHBondContact N-O 2.91Å; T89-V102 PolarHBondContact O-N 3.35Å; V102-E104 HydrophobicContact CG1-CG 4.14Å; V102-V111 HydrophobicContact CG1-CG1 3.75Å; V102-S112 WeakPolarHBondContact CA-O 3.25Å; V102-D113 WeakPolarHBondContact CG2-OD1 3.4Å |
| 103 | F | 98 | Very high | 94.6 | Very high | 1 Ų | 1 | 68.7 Ų | 68.7 | 0% | 0.004 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.7 | 177.1 | -50.2 | -30.5 | 0 | 0 | 0 | 109.6 | I78 L79 C81 A82 I87 I88 L101 V111 S112 Y114 | I78-F103 HydrophobicContact CG2-CE2 4.31Å; I78-F103 HydrophobicContact CG2-CZ 4.02Å; I78-F103 WeakPolarHBondContact O-CE2 3.39Å; L79-F103 HydrophobicContact CD2-CE1 3.94Å; L79-F103 HydrophobicContact CD2-CZ 3.94Å; C81-F103 HydrophobicContact CB-CE2 4.21Å; A82-F103 HydrophobicContact CB-CB 4.33Å; A82-F103 HydrophobicContact CB-CD1 4.04Å; A82-F103 HydrophobicContact CB-CD2 3.66Å; A82-F103 HydrophobicContact CB-CE1 4.26Å; A82-F103 HydrophobicContact CB-CE2 3.92Å; A82-F103 HydrophobicContact CB-CG 3.75Å; A82-F103 HydrophobicContact CB-CZ 4.2Å; I87-F103 WeakPolarHBondContact O-CA 3.27Å; I88-F103 HydrophobicContact CB-CD1 4.24Å; I88-F103 HydrophobicContact CB-CE1 4.48Å; I88-F103 HydrophobicContact CD1-CD1 4.21Å; I88-F103 HydrophobicContact CD1-CE1 4.12Å; I88-F103 HydrophobicContact CG1-CD1 3.69Å; I88-F103 HydrophobicContact CG1-CE1 4.03Å; I88-F103 HydrophobicContact CG2-CD1 3.99Å; I88-F103 HydrophobicContact CG2-CE1 3.83Å; L101-F103 HydrophobicContact CB-CE1 3.8Å; L101-F103 HydrophobicContact CB-CZ 4.01Å; L101-F103 HydrophobicContact CD2-CE1 4.39Å; L101-F103 HydrophobicContact CD2-CZ 4.38Å; F103-V111 CarbonylContact O-C 3.56Å; F103-V111 WeakPolarHBondContact O-CA 3.34Å; F103-S112 PolarHBondContact N-O 3.46Å; F103-S112 PolarHBondContact O-N 3.16Å; F103-Y114 AromaticContact CD2-CD2 3.7Å; F103-Y114 HydrophobicContact CD2-CD2 3.7Å; F103-Y114 AromaticContact CD2-CE2 3.55Å; F103-Y114 HydrophobicContact CD2-CE2 3.55Å; F103-Y114 AromaticContact CE2-CD2 3.42Å; F103-Y114 HydrophobicContact CE2-CD2 3.42Å; F103-Y114 VanDerWaalsContact CE2-CD2 3.42Å; F103-Y114 AromaticContact CE2-CE2 3.54Å; F103-Y114 HydrophobicContact CE2-CE2 3.54Å; F103-Y114 HydrophobicContact CE2-CG 4.38Å; F103-Y114 HydrophobicContact CZ-CD2 4.16Å |
| 104 | E | 97.9 | Very high | 94.8 | Very high | 44 Ų | 44 | 67.4 Ų | 67.4 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.1 | -178.8 | -57.9 | 175.5 | -101.7 | 0 | 0 | 109.5 | R5 D86 I87 V102 V111 | R5-E104 IonicContact NE-OE1 3.96Å; D86-E104 WeakPolarHBondContact CA-O 3.43Å; I87-E104 HydrophobicContact CB-CB 4.28Å; I87-E104 PolarHBondContact N-O 3.47Å; I87-E104 PolarHBondContact O-N 2.8Å; V102-E104 HydrophobicContact CG1-CG 4.14Å; E104-V111 HydrophobicContact CG-CG1 4.24Å; E104-V111 HydrophobicContact CG-CG2 4.23Å |
| 105 | A | 96.1 | Very high | 95.2 | Very high | 13 Ų | 13 | 71.2 Ų | 71.2 | 11% | 0.107 | 37% | 0.374 | C | S | . | . | trans | -64.5 | 144.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | N107 Q108 K110 | A105-N107 WeakPolarHBondContact CB-OD1 3.3Å; A105-N107 PolarHBondContact O-N 3.23Å; A105-N107 VanDerWaalsContact O-N 3.08Å; A105-Q108 WeakPolarHBondContact O-CA 3.34Å; A105-Q108 PolarHBondContact O-N 3.41Å; A105-K110 HydrophobicContact CB-CB 4.14Å; A105-K110 PolarHBondContact N-O 3.43Å | ||
| 106 | P | 93.7 | Very high | 95.8 | Very high | 79 Ų | 79 | 64.3 Ų | 64.3 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.8 | -178.9 | -29.5 | 36.2 | 0 | 0 | 0 | 114.8 | E85 Q108 | E85-P106 HydrophobicContact CB-CG 4.04Å; E85-P106 WeakPolarHBondContact O-CD 3.34Å; E85-P106 WeakPolarHBondContact O-CG 3.3Å; P106-Q108 VanDerWaalsContact C-N 3.28Å |
| 107 | N | 93.5 | Very high | 96.3 | Very high | 93 Ų | 93 | 71.5 Ų | 71.5 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 0.6 | 177.5 | 68.7 | -5.6 | 0 | 0 | 0 | 113.7 | A105 E109 | A105-N107 WeakPolarHBondContact CB-OD1 3.3Å; A105-N107 PolarHBondContact O-N 3.23Å; A105-N107 VanDerWaalsContact O-N 3.08Å; N107-E109 HydrophobicContact CB-CG 4.4Å; N107-E109 WeakPolarHBondContact ND2-CG 3.4Å; N107-E109 PolarHBondContact ND2-OE2 2.97Å; N107-E109 PolarHBondContact O-N 3.47Å; N107-E109 VanDerWaalsContact O-N 3.11Å; N107-E109 PolarHBondContact OD1-N 2.92Å; N107-E109 VanDerWaalsContact OD1-N 3.15Å |
| 108 | Q | 89 | Confident | 96.5 | Very high | 155 Ų | 155 | 66.5 Ų | 66.5 | 72% | 0.724 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 61.6 | 9.8 | -179.2 | -54.5 | 177.8 | 4.8 | 0 | 0 | 115.3 | A105 P106 K110 | A105-Q108 WeakPolarHBondContact O-CA 3.34Å; A105-Q108 PolarHBondContact O-N 3.41Å; P106-Q108 VanDerWaalsContact C-N 3.28Å; Q108-K110 VanDerWaalsContact C-N 3.26Å; Q108-K110 PolarHBondContact O-N 3.3Å |
| 109 | E | 94 | Very high | 96.4 | Very high | 166 Ų | 166 | 67.2 Ų | 67.2 | 78% | 0.776 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -74.9 | -18.9 | 180 | -68.1 | -179.6 | 167.7 | 0 | 0 | 112.9 | N107 | N107-E109 HydrophobicContact CB-CG 4.4Å; N107-E109 WeakPolarHBondContact ND2-CG 3.4Å; N107-E109 PolarHBondContact ND2-OE2 2.97Å; N107-E109 PolarHBondContact O-N 3.47Å; N107-E109 VanDerWaalsContact O-N 3.11Å; N107-E109 PolarHBondContact OD1-N 2.92Å; N107-E109 VanDerWaalsContact OD1-N 3.15Å |
| 110 | K | 95.6 | Very high | 96 | Very high | 109 Ų | 109 | 75.3 Ų | 75.3 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | trans | -135.8 | 128.2 | -179.1 | -175.8 | -173.8 | 173.5 | -162.9 | 0 | 110.2 | A105 Q108 S112 | A105-K110 HydrophobicContact CB-CB 4.14Å; A105-K110 PolarHBondContact N-O 3.43Å; Q108-K110 VanDerWaalsContact C-N 3.26Å; Q108-K110 PolarHBondContact O-N 3.3Å; K110-S112 VanDerWaalsContact CE-OG 3.3Å; K110-S112 WeakPolarHBondContact CE-OG 3.42Å | ||
| 111 | V | 97.2 | Very high | 95.7 | Very high | 77 Ų | 77 | 76.4 Ų | 76.4 | 47% | 0.467 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.2 | 167.4 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | V102 F103 E104 | V102-V111 HydrophobicContact CG1-CG1 3.75Å; F103-V111 CarbonylContact O-C 3.56Å; F103-V111 WeakPolarHBondContact O-CA 3.34Å; E104-V111 HydrophobicContact CG-CG1 4.24Å; E104-V111 HydrophobicContact CG-CG2 4.23Å |
| 112 | S | 97.7 | Very high | 94.9 | Very high | 21 Ų | 21 | 84.9 Ų | 84.9 | 15% | 0.147 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 122.2 | 176.3 | -58.2 | 0 | 0 | 0 | 0 | 109.9 | V102 F103 K110 | V102-S112 WeakPolarHBondContact CA-O 3.25Å; F103-S112 PolarHBondContact N-O 3.46Å; F103-S112 PolarHBondContact O-N 3.16Å; K110-S112 VanDerWaalsContact CE-OG 3.3Å; K110-S112 WeakPolarHBondContact CE-OG 3.42Å |
| 113 | D | 97.5 | Very high | 93.8 | Very high | 115 Ų | 115 | 87.2 Ų | 87.2 | 62% | 0.615 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.6 | 179.8 | -58.7 | -82.7 | 0 | 0 | 0 | 109.9 | V102 | V102-D113 WeakPolarHBondContact CG2-OD1 3.4Å |
| 114 | Y | 98.1 | Very high | 92.8 | Very high | 85 Ų | 85 | 94.8 Ų | 94.8 | 33% | 0.333 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 155.9 | 173.6 | -63.4 | -89.8 | 0 | 0 | 0 | 109.6 | I78 C81 A100 L101 F103 | I78-Y114 HydrophobicContact CG2-CD1 4.18Å; I78-Y114 HydrophobicContact CG2-CD2 4.32Å; I78-Y114 HydrophobicContact CG2-CG 3.79Å; C81-Y114 HydrophobicContact CB-CE1 4.34Å; C81-Y114 HydrophobicContact CB-CE2 4.03Å; C81-Y114 WeakPolarHBondContact CB-OH 3.34Å; A100-Y114 WeakPolarHBondContact CA-O 3.48Å; L101-Y114 PolarHBondContact N-O 3.39Å; L101-Y114 PolarHBondContact O-N 3.33Å; F103-Y114 AromaticContact CD2-CD2 3.7Å; F103-Y114 HydrophobicContact CD2-CD2 3.7Å; F103-Y114 AromaticContact CD2-CE2 3.55Å; F103-Y114 HydrophobicContact CD2-CE2 3.55Å; F103-Y114 AromaticContact CE2-CD2 3.42Å; F103-Y114 HydrophobicContact CE2-CD2 3.42Å; F103-Y114 VanDerWaalsContact CE2-CD2 3.42Å; F103-Y114 AromaticContact CE2-CE2 3.54Å; F103-Y114 HydrophobicContact CE2-CE2 3.54Å; F103-Y114 HydrophobicContact CE2-CG 4.38Å; F103-Y114 HydrophobicContact CZ-CD2 4.16Å |
| 115 | E | 97.2 | Very high | 91.9 | Very high | 130 Ų | 130 | 98.9 Ų | 98.9 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 140.6 | 175.9 | -171.9 | 176.8 | -153.4 | 0 | 0 | 108.6 | T98 L99 | T98-E115 WeakPolarHBondContact CB-OE1 3.34Å; T98-E115 HydrophobicContact CG2-CG 3.97Å; T98-E115 WeakPolarHBondContact CG2-OE1 3.48Å; T98-E115 PolarHBondContact OG1-OE1 3Å; L99-E115 WeakPolarHBondContact O-CA 3.45Å |
| 116 | M | 97.4 | Very high | 91.5 | Very high | 14 Ų | 14 | 101.6 Ų | 101.6 | 7% | 0.069 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.7 | 172.5 | 70.2 | 177.4 | -69.1 | 0 | 0 | 111.2 | V70 M75 I78 T98 L99 L101 | V70-M116 HydrophobicContact CG1-CE 3.7Å; V70-M116 HydrophobicContact CG1-SD 4.25Å; M75-M116 HydrophobicContact CB-CE 4.08Å; M75-M116 HydrophobicContact CB-SD 3.82Å; M75-M116 HydrophobicContact CG-SD 3.81Å; I78-M116 HydrophobicContact CD1-CB 3.63Å; I78-M116 HydrophobicContact CD1-CG 4.42Å; I78-M116 HydrophobicContact CD1-SD 4.33Å; T98-M116 CarbonylContact C-O 3.55Å; T98-M116 WeakPolarHBondContact CA-O 3.24Å; T98-M116 WeakPolarHBondContact CB-O 3.28Å; L99-M116 HydrophobicContact CB-CG 3.97Å; L99-M116 HydrophobicContact CD2-SD 4.36Å; L99-M116 PolarHBondContact N-O 2.75Å; L99-M116 PolarHBondContact O-N 2.88Å; L101-M116 HydrophobicContact CD1-CG 4.02Å; L101-M116 HydrophobicContact CD1-SD 4.3Å |
| 117 | K | 97 | Very high | 91.2 | Very high | 174 Ų | 174 | 101.7 Ų | 101.7 | 76% | 0.757 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 136.5 | 173.7 | -65 | -172.9 | 176.3 | -171.7 | 0 | 110.3 | ||
| 118 | L | 96.8 | Very high | 91 | Very high | 31 Ų | 31 | 99.8 Ų | 99.8 | 16% | 0.162 | 51% | 0.513 | C | S | . | . | trans | -83.1 | 166.8 | 167.6 | -63.6 | 178.2 | 0 | 0 | 0 | 109.7 | M68 G69 V70 A96 D97 L99 | M68-L118 HydrophobicContact CB-CD1 4.27Å; M68-L118 HydrophobicContact CB-CD2 3.98Å; M68-L118 HydrophobicContact CG-CD1 3.99Å; M68-L118 HydrophobicContact CG-CD2 4.48Å; M68-L118 HydrophobicContact SD-CD1 4.33Å; G69-L118 WeakPolarHBondContact O-CA 3.23Å; G69-L118 WeakPolarHBondContact O-CD2 3.36Å; V70-L118 HydrophobicContact CG2-CD2 3.95Å; A96-L118 HydrophobicContact CB-CD1 4.05Å; A96-L118 WeakPolarHBondContact O-CD1 3.39Å; D97-L118 PolarHBondContact O-N 2.97Å; L99-L118 HydrophobicContact CB-CD2 3.87Å; L99-L118 HydrophobicContact CB-CG 4.33Å | ||
| 119 | M | 94.6 | Very high | 90.9 | Very high | 58 Ų | 58 | 96.5 Ų | 96.5 | 29% | 0.286 | 51% | 0.505 | S | S | . | . | B | Isolated β-bridge | trans | -135.1 | 149.6 | 177.8 | 50.1 | -179.5 | 57.6 | 0 | 0 | 110.1 | E25 G69 N71 L121 | E25-M119 HydrophobicContact CB-SD 4.21Å; E25-M119 VanDerWaalsContact CD-SD 3.58Å; E25-M119 HydrophobicContact CG-CE 4.4Å; E25-M119 HydrophobicContact CG-SD 3.83Å; G69-M119 VanDerWaalsContact C-CG 3.42Å; G69-M119 WeakPolarHBondContact CA-O 3.28Å; G69-M119 PolarHBondContact N-O 3.08Å; G69-M119 VanDerWaalsContact O-CG 3.27Å; G69-M119 WeakPolarHBondContact O-CG 3.23Å; G69-M119 PolarHBondContact O-N 3.04Å; N71-M119 HydrophobicContact CB-CE 3.74Å; M119-L121 HydrophobicContact CG-CD1 4.35Å; M119-L121 HydrophobicContact CG-CD2 4.23Å; M119-L121 HydrophobicContact CG-CG 4.04Å; M119-L121 PolarHBondContact O-N 2.82Å; M119-L121 HydrophobicContact SD-CD1 4.26Å; M119-L121 HydrophobicContact SD-CD2 3.9Å; M119-L121 HydrophobicContact SD-CG 4.21Å |
| 120 | D | 91 | Very high | 90.6 | Very high | 172 Ų | 172 | 98.2 Ų | 98.2 | 92% | 0.92 | 51% | 0.513 | S | S | * | . | trans | -79.4 | 119.5 | 170.8 | -62.4 | -41.3 | 0 | 0 | 0 | 108.6 | ||||
| 121 | L | 90.9 | Very high | 90.3 | Very high | 54 Ų | 54 | 96.2 Ų | 96.2 | 28% | 0.283 | 51% | 0.506 | S | S | . | . | trans | -119.6 | 130.1 | 175.8 | -64.9 | 177.6 | 0 | 0 | 0 | 108.8 | E25 A26 M119 V123 | E25-L121 HydrophobicContact CB-CD1 4.25Å; E25-L121 HydrophobicContact CB-CD2 4.44Å; A26-L121 VanDerWaalsContact C-CD1 3.49Å; M119-L121 HydrophobicContact CG-CD1 4.35Å; M119-L121 HydrophobicContact CG-CD2 4.23Å; M119-L121 HydrophobicContact CG-CG 4.04Å; M119-L121 PolarHBondContact O-N 2.82Å; M119-L121 HydrophobicContact SD-CD1 4.26Å; M119-L121 HydrophobicContact SD-CD2 3.9Å; M119-L121 HydrophobicContact SD-CG 4.21Å; L121-V123 HydrophobicContact CB-CG2 3.97Å; L121-V123 PolarHBondContact O-N 2.83Å | ||
| 122 | D | 81.3 | Confident | 90.1 | Very high | 180 Ų | 180 | 101 Ų | 101 | 96% | 0.963 | 52% | 0.523 | S | S | * | . | trans | -78 | 112 | 164.8 | -82.2 | -34.5 | 0 | 0 | 0 | 108.2 | ||||
| 123 | V | 74.9 | Confident | 90 | Very high | 60 Ų | 60 | 102.2 Ų | 102.2 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | trans | -115.4 | 120.6 | -174.3 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | C27 L121 | C27-V123 HydrophobicContact CB-CB 4.33Å; C27-V123 HydrophobicContact CB-CG1 4.37Å; C27-V123 HydrophobicContact CB-CG2 3.23Å; L121-V123 HydrophobicContact CB-CG2 3.97Å; L121-V123 PolarHBondContact O-N 2.83Å | ||
| 124 | E | 77.1 | Confident | 89.9 | Confident | 160 Ų | 160 | 97.5 Ų | 97.5 | 75% | 0.748 | 50% | 0.501 | S | S | * | . | trans | -93.3 | 112.6 | 170.5 | -162.5 | 170.9 | -162.4 | 0 | 0 | 108.6 | ||||
| 125 | Q | 79.9 | Confident | 89.9 | Confident | 131 Ų | 131 | 93.5 Ų | 93.5 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | trans | -78.5 | 124.4 | 172.9 | -74.4 | -167 | -10.8 | 0 | 0 | 109.8 | D29 | D29-Q125 PolarHBondContact OD2-NE2 3.01Š| ||
| 126 | L | 86.4 | Confident | 89.9 | Confident | 70 Ų | 70 | 89.2 Ų | 89.2 | 37% | 0.366 | 47% | 0.467 | S | S | . | . | trans | -91.1 | 126.1 | 174.7 | -68.6 | 166 | 0 | 0 | 0 | 109.7 | Q38 M40 L47 I128 | Q38-L126 PolarHBondContact NE2-O 2.95Å; Q38-L126 PolarHBondContact OE1-O 3.29Å; M40-L126 HydrophobicContact CE-CD1 3.87Å; M40-L126 HydrophobicContact CG-CD1 4.04Å; M40-L126 HydrophobicContact SD-CD1 3.82Å; L47-L126 HydrophobicContact CD1-CD1 3.75Å; L126-I128 PolarHBondContact O-N 3.05Å | ||
| 127 | G | 87.6 | Confident | 90 | Very high | 80 Ų | 80 | 88.5 Ų | 88.5 | 83% | 0.825 | 46% | 0.464 | S | S | * | . | trans | -67.6 | 113 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P129 | G127-P129 WeakPolarHBondContact O-CD 3.24Š| ||
| 128 | I | 89.4 | Confident | 90 | Very high | 53 Ų | 53 | 83.7 Ų | 83.7 | 27% | 0.272 | 44% | 0.443 | S | S | . | . | trans | -91 | 113 | 173.2 | -59.4 | 168.3 | 0 | 0 | 0 | 107.3 | Q38 L47 Q49 L126 Y250 | Q38-I128 VanDerWaalsContact NE2-CD1 3.34Å; L47-I128 HydrophobicContact CD2-CD1 3.79Å; L47-I128 HydrophobicContact CD2-CG1 4.05Å; Q49-I128 HydrophobicContact CB-CD1 4.39Å; Q49-I128 HydrophobicContact CG-CD1 4.44Å; L126-I128 PolarHBondContact O-N 3.05Å; I128-Y250 HydrophobicContact CD1-CE2 3.83Å; I128-Y250 HydrophobicContact CG2-CE1 3.86Å | ||
| 129 | P | 88.2 | Confident | 90.1 | Very high | 87 Ų | 87 | 82.2 Ų | 82.2 | 57% | 0.565 | 44% | 0.435 | S | S | * | . | trans | -68.9 | 145.8 | -179.9 | 28.3 | -33.4 | 0 | 0 | 0 | 111 | G127 | G127-P129 WeakPolarHBondContact O-CD 3.24Š| ||
| 130 | E | 86.6 | Confident | 90.3 | Very high | 202 Ų | 202 | 80.8 Ų | 80.8 | 94% | 0.944 | 43% | 0.43 | S | S | * | . | trans | -70.3 | 130.2 | 161.9 | -68.8 | -173.4 | 170.9 | 0 | 0 | 108.6 | ||||
| 131 | Q | 89.7 | Confident | 90.6 | Very high | 67 Ų | 67 | 72.9 Ų | 72.9 | 31% | 0.313 | 39% | 0.388 | S | S | . | . | trans | -149.3 | 150.8 | -178.7 | 59.7 | 179.3 | 58.7 | 0 | 0 | 110.3 | Y133 V233 | Q131-Y133 HydrophobicContact CG-CE1 4.28Å; Q131-Y133 HydrophobicContact CG-CE2 4.13Å; Q131-V233 VanDerWaalsContact NE2-CG2 3.27Å | ||
| 132 | E | 91.9 | Very high | 91 | Very high | 178 Ų | 178 | 72.2 Ų | 72.2 | 83% | 0.832 | 40% | 0.395 | S | S | * | . | trans | -81.4 | 145.7 | 168.1 | -65.1 | -174.4 | 171.1 | 0 | 0 | 109.6 | ||||
| 133 | Y | 96.2 | Very high | 91.8 | Very high | 46 Ų | 46 | 66.8 Ų | 66.8 | 18% | 0.18 | 36% | 0.364 | C | S | . | . | trans | -107.3 | 141.7 | 177.2 | -64.5 | -87.9 | 0 | 0 | 0 | 109.6 | Q131 C135 N200 S228 V233 V236 | Q131-Y133 HydrophobicContact CG-CE1 4.28Å; Q131-Y133 HydrophobicContact CG-CE2 4.13Å; Y133-C135 PolarHBondContact O-N 3.15Å; Y133-N200 PolarHBondContact O-ND2 3.36Å; Y133-S228 VanDerWaalsContact CG-CB 3.45Å; Y133-V233 HydrophobicContact CE1-CG2 4.49Å; Y133-V236 HydrophobicContact CE1-CG2 3.91Å; Y133-V236 WeakPolarHBondContact OH-CG2 3.05Å | ||
| 134 | S | 96.7 | Very high | 92.9 | Very high | 16 Ų | 16 | 64 Ų | 64 | 11% | 0.112 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -61 | -36.8 | 174.9 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | N200 E201 M229 S230 | S134-N200 PolarHBondContact O-N 3.1Å; S134-E201 PolarHBondContact O-N 3.06Å; S134-M229 PolarHBondContact N-O 3.18Å; S134-S230 PolarHBondContact OG-OG 3.1Å |
| 135 | C | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 134.4 | 179.2 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | Y133 C162 E198 E201 V203 S228 M229 | Y133-C135 PolarHBondContact O-N 3.15Å; C135-C162 HydrophobicContact CB-CB 4Å; C135-C162 VanDerWaalsContact SG-CB 3.55Å; C135-C162 VanDerWaalsContact SG-SG 3.66Å; C135-E198 CarbonylContact C-O 3.55Å; C135-E198 VanDerWaalsContact CA-O 3.31Å; C135-E198 WeakPolarHBondContact CA-O 3.23Å; C135-E201 PolarHBondContact SG-O 3.43Å; C135-V203 HydrophobicContact CB-CG1 3.97Å; C135-V203 WeakPolarHBondContact SG-CG1 3.4Å; C135-S228 WeakPolarHBondContact O-CA 3.48Å; C135-M229 HydrophobicContact CB-CB 4.41Å; C135-M229 HydrophobicContact CB-CE 4Å; C135-M229 PolarHBondContact N-O 3.46Å; C135-M229 PolarHBondContact O-N 3.15Å |
| 136 | V | 97.7 | Very high | 94.9 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 24% | 0.242 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 118.2 | 167.9 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | E198 T226 L227 | V136-E198 HydrophobicContact CB-CB 4.39Å; V136-E198 PolarHBondContact N-O 3.34Å; V136-E198 PolarHBondContact O-N 2.98Å; V136-T226 HydrophobicContact CG1-CG2 3.54Å; V136-L227 CarbonylContact C-O 3.51Å; V136-L227 WeakPolarHBondContact CA-O 3.38Å |
| 137 | V | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 115.9 | -177.7 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | M139 V167 T196 I197 T226 L227 M229 | V137-M139 HydrophobicContact CB-CE 4.34Å; V137-M139 HydrophobicContact CG1-CE 3.35Å; V137-V167 HydrophobicContact CG1-CB 4.44Å; V137-V167 HydrophobicContact CG1-CG1 4.01Å; V137-V167 HydrophobicContact CG2-CB 4.37Å; V137-V167 HydrophobicContact CG2-CG2 4.49Å; V137-T196 CarbonylContact C-O 3.58Å; V137-T196 WeakPolarHBondContact CA-O 3.2Å; V137-I197 HydrophobicContact CG1-CG1 4.15Å; V137-I197 HydrophobicContact CG2-CG1 4.43Å; V137-I197 HydrophobicContact CG2-CG2 4.33Å; V137-T226 CarbonylContact O-C 3.54Å; V137-T226 WeakPolarHBondContact O-CA 3.45Å; V137-L227 HydrophobicContact CB-CB 4.41Å; V137-L227 PolarHBondContact N-O 2.58Å; V137-L227 PolarHBondContact O-N 3.44Å; V137-M229 HydrophobicContact CG2-CE 4.02Å |
| 138 | K | 98.2 | Very high | 96 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133 | 171.2 | -174.1 | -177.2 | 176.3 | -166.3 | 0 | 109.8 | V195 T196 T224 V225 | K138-V195 CarbonylContact O-C 3.54Å; K138-V195 WeakPolarHBondContact O-CA 3.24Å; K138-T196 PolarHBondContact N-O 2.79Å; K138-T196 PolarHBondContact O-N 3.16Å; K138-T224 WeakPolarHBondContact CE-OG1 3.43Å; K138-V225 WeakPolarHBondContact CA-O 3.47Å |
| 139 | M | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 169.5 | 178.9 | 70.8 | -172.5 | 69.2 | 0 | 0 | 111.8 | V137 S141 F144 V167 F169 L182 V195 T224 V225 L227 | V137-M139 HydrophobicContact CB-CE 4.34Å; V137-M139 HydrophobicContact CG1-CE 3.35Å; M139-S141 PolarHBondContact O-N 3.13Å; M139-F144 HydrophobicContact CG-CB 4.23Å; M139-F144 HydrophobicContact SD-CB 3.87Å; M139-F144 HydrophobicContact SD-CD2 4.15Å; M139-F144 HydrophobicContact SD-CG 4.41Å; M139-V167 HydrophobicContact CE-CG1 4.35Å; M139-F169 HydrophobicContact CE-CE2 4.37Å; M139-F169 HydrophobicContact CE-CZ 3.96Å; M139-F169 HydrophobicContact SD-CZ 4.38Å; M139-L182 HydrophobicContact CE-CD1 4.19Å; M139-L182 HydrophobicContact SD-CD1 3.73Å; M139-V195 HydrophobicContact CB-CG1 4.46Å; M139-V195 HydrophobicContact CB-CG2 4.1Å; M139-T224 CarbonylContact O-C 3.45Å; M139-T224 VanDerWaalsContact O-CA 3.28Å; M139-T224 WeakPolarHBondContact O-CA 3.38Å; M139-V225 HydrophobicContact CG-CG1 3.73Å; M139-V225 PolarHBondContact N-O 3.33Å; M139-V225 PolarHBondContact O-N 3Å; M139-L227 HydrophobicContact CE-CD1 3.92Å |
| 140 | P | 98.3 | Very high | 96.9 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 129 | 171.6 | -22.9 | 34.3 | 0 | 0 | 0 | 111 | G142 E143 F144 S223 | P140-G142 VanDerWaalsContact C-N 3.27Å; P140-G142 PolarHBondContact O-N 3.27Å; P140-E143 HydrophobicContact CB-CB 4.11Å; P140-E143 WeakPolarHBondContact O-CB 3.41Å; P140-E143 PolarHBondContact O-N 3.45Å; P140-E143 VanDerWaalsContact O-N 3.08Å; P140-F144 PolarHBondContact O-N 3.35Å; P140-S223 WeakPolarHBondContact CA-O 3.23Å |
| 141 | S | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -36.7 | -177.2 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | M139 E143 F144 A145 S222 S223 | M139-S141 PolarHBondContact O-N 3.13Å; S141-E143 VanDerWaalsContact C-N 3.29Å; S141-E143 PolarHBondContact O-N 3.08Å; S141-F144 PolarHBondContact O-N 3.18Å; S141-A145 WeakPolarHBondContact O-CB 3.28Å; S141-A145 PolarHBondContact O-N 2.66Å; S141-S222 VanDerWaalsContact CB-O 3.29Å; S141-S222 WeakPolarHBondContact CB-O 3.46Å; S141-S222 PolarHBondContact OG-O 3.11Å; S141-S223 PolarHBondContact N-O 3.16Å; S141-S223 VanDerWaalsContact OG-C 3.28Å; S141-S223 PolarHBondContact OG-O 3.02Å |
| 142 | G | 98.5 | Very high | 97.9 | Very high | 41 Ų | 41 | 42.5 Ų | 42.5 | 42% | 0.423 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.2 | -31.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P140 R146 | P140-G142 VanDerWaalsContact C-N 3.27Å; P140-G142 PolarHBondContact O-N 3.27Å; G142-R146 WeakPolarHBondContact O-CB 3.46Å; G142-R146 PolarHBondContact O-N 3.4Å; G142-R146 VanDerWaalsContact O-N 3.1Å |
| 143 | E | 98.3 | Very high | 98.1 | Very high | 66 Ų | 66 | 39.9 Ų | 39.9 | 31% | 0.308 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -72.6 | -46.1 | 175.9 | -173.6 | 58.9 | -160.7 | 0 | 0 | 110.7 | P140 S141 A145 R146 I147 L182 | P140-E143 HydrophobicContact CB-CB 4.11Å; P140-E143 WeakPolarHBondContact O-CB 3.41Å; P140-E143 PolarHBondContact O-N 3.45Å; P140-E143 VanDerWaalsContact O-N 3.08Å; S141-E143 VanDerWaalsContact C-N 3.29Å; S141-E143 PolarHBondContact O-N 3.08Å; E143-A145 VanDerWaalsContact C-N 3.31Å; E143-A145 PolarHBondContact O-N 2.84Å; E143-R146 WeakPolarHBondContact O-CB 3.39Å; E143-R146 PolarHBondContact O-N 3.35Å; E143-R146 VanDerWaalsContact O-N 3.13Å; E143-I147 HydrophobicContact CG-CD1 4.12Å; E143-I147 WeakPolarHBondContact O-CG1 3.47Å; E143-I147 PolarHBondContact O-N 2.78Å; E143-L182 HydrophobicContact CG-CD1 4.33Å; E143-L182 HydrophobicContact CG-CD2 4.4Å |
| 144 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.4 | -42.2 | 174.3 | -178.8 | -115.5 | 0 | 0 | 0 | 112.6 | M139 P140 S141 R146 I147 C148 F169 L212 T216 V225 L227 V237 | M139-F144 HydrophobicContact CG-CB 4.23Å; M139-F144 HydrophobicContact SD-CB 3.87Å; M139-F144 HydrophobicContact SD-CD2 4.15Å; M139-F144 HydrophobicContact SD-CG 4.41Å; P140-F144 PolarHBondContact O-N 3.35Å; S141-F144 PolarHBondContact O-N 3.18Å; F144-R146 VanDerWaalsContact C-N 3.34Å; F144-R146 PolarHBondContact O-N 3.37Å; F144-I147 PolarHBondContact O-N 3.24Å; F144-C148 VanDerWaalsContact CE2-SG 3.59Å; F144-C148 VanDerWaalsContact CZ-SG 3.54Å; F144-C148 PolarHBondContact O-N 2.97Å; F144-C148 PolarHBondContact O-SG 2.75Å; F144-F169 HydrophobicContact CD2-CE1 4.34Å; F144-F169 HydrophobicContact CD2-CZ 4.45Å; F144-F169 HydrophobicContact CE2-CE1 4.1Å; F144-L212 HydrophobicContact CZ-CD2 4.35Å; F144-T216 HydrophobicContact CD1-CG2 3.75Å; F144-T216 HydrophobicContact CE1-CG2 3.77Å; F144-V225 HydrophobicContact CB-CG1 3.63Å; F144-V225 HydrophobicContact CD1-CG1 4.04Å; F144-V225 HydrophobicContact CD1-CG2 4.34Å; F144-V225 HydrophobicContact CG-CG1 3.93Å; F144-L227 HydrophobicContact CD2-CD1 4.11Å; F144-L227 HydrophobicContact CE1-CD2 4.32Å; F144-L227 HydrophobicContact CE2-CD1 3.78Å; F144-L227 HydrophobicContact CE2-CD2 4.07Å; F144-L227 HydrophobicContact CZ-CD1 4.44Å; F144-L227 HydrophobicContact CZ-CD2 3.92Å; F144-V237 HydrophobicContact CE1-CG1 4.11Å |
| 145 | A | 98.8 | Very high | 98.2 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 17% | 0.174 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S141 E143 R149 T216 | S141-A145 WeakPolarHBondContact O-CB 3.28Å; S141-A145 PolarHBondContact O-N 2.66Å; E143-A145 VanDerWaalsContact C-N 3.31Å; E143-A145 PolarHBondContact O-N 2.84Å; A145-R149 WeakPolarHBondContact O-CB 3.42Å; A145-R149 PolarHBondContact O-N 3.02Å; A145-R149 VanDerWaalsContact O-N 3.13Å; A145-T216 HydrophobicContact CB-CG2 4.04Å |
| 146 | R | 98.7 | Very high | 98.2 | Very high | 131 Ų | 131 | 46.3 Ų | 46.3 | 49% | 0.494 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63 | -48.8 | 174.7 | -179.1 | -174 | -62.6 | -106.3 | 3.1 | 111 | G142 E143 F144 C148 R149 D150 | G142-R146 WeakPolarHBondContact O-CB 3.46Å; G142-R146 PolarHBondContact O-N 3.4Å; G142-R146 VanDerWaalsContact O-N 3.1Å; E143-R146 WeakPolarHBondContact O-CB 3.39Å; E143-R146 PolarHBondContact O-N 3.35Å; E143-R146 VanDerWaalsContact O-N 3.13Å; F144-R146 VanDerWaalsContact C-N 3.34Å; F144-R146 PolarHBondContact O-N 3.37Å; R146-C148 PolarHBondContact O-N 3.23Å; R146-R149 PolarHBondContact O-N 3.08Å; R146-D150 VanDerWaalsContact CG-OD2 3.3Å; R146-D150 WeakPolarHBondContact CG-OD2 3.21Å; R146-D150 WeakPolarHBondContact O-CB 3.31Å; R146-D150 PolarHBondContact O-N 3.42Å |
| 147 | I | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.9 | -51.2 | 178.8 | -70.5 | 169.3 | 0 | 0 | 0 | 111.1 | E143 F144 R149 D150 L151 F169 I180 L182 | E143-I147 HydrophobicContact CG-CD1 4.12Å; E143-I147 WeakPolarHBondContact O-CG1 3.47Å; E143-I147 PolarHBondContact O-N 2.78Å; F144-I147 PolarHBondContact O-N 3.24Å; I147-R149 PolarHBondContact O-N 3.08Å; I147-D150 PolarHBondContact O-N 3.38Å; I147-L151 HydrophobicContact CG2-CD1 3.88Å; I147-L151 HydrophobicContact CG2-CG 4.5Å; I147-L151 WeakPolarHBondContact O-CB 3.2Å; I147-L151 WeakPolarHBondContact O-CG 3.34Å; I147-L151 PolarHBondContact O-N 2.96Å; I147-F169 HydrophobicContact CD1-CD2 4.07Å; I147-F169 HydrophobicContact CD1-CE2 4.03Å; I147-F169 HydrophobicContact CG2-CB 3.79Å; I147-F169 HydrophobicContact CG2-CD1 3.88Å; I147-F169 HydrophobicContact CG2-CD2 4.02Å; I147-F169 HydrophobicContact CG2-CE1 4.48Å; I147-F169 HydrophobicContact CG2-CG 3.63Å; I147-I180 HydrophobicContact CB-CD1 4.34Å; I147-I180 HydrophobicContact CD1-CG2 4.08Å; I147-I180 HydrophobicContact CG1-CD1 3.99Å; I147-I180 HydrophobicContact CG1-CG2 4.04Å; I147-I180 HydrophobicContact CG2-CD1 4.22Å; I147-L182 HydrophobicContact CD1-CD1 3.89Å; I147-L182 HydrophobicContact CD1-CG 4.31Å |
| 148 | C | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | -178.8 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | F144 R146 S152 L209 L212 N213 T216 | F144-C148 VanDerWaalsContact CE2-SG 3.59Å; F144-C148 VanDerWaalsContact CZ-SG 3.54Å; F144-C148 PolarHBondContact O-N 2.97Å; F144-C148 PolarHBondContact O-SG 2.75Å; R146-C148 PolarHBondContact O-N 3.23Å; C148-S152 WeakPolarHBondContact O-CB 3.21Å; C148-S152 PolarHBondContact O-N 3.16Å; C148-S152 VanDerWaalsContact O-N 3.08Å; C148-S152 PolarHBondContact O-OG 3.19Å; C148-L209 HydrophobicContact CB-CD2 4.32Å; C148-L212 HydrophobicContact CB-CB 4.43Å; C148-N213 WeakPolarHBondContact CB-OD1 3.29Å; C148-N213 PolarHBondContact O-ND2 2.92Å; C148-T216 HydrophobicContact CB-CG2 4.19Å |
| 149 | R | 98.4 | Very high | 98.3 | Very high | 128 Ų | 128 | 44 Ų | 44 | 48% | 0.483 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65 | -48.8 | 177.8 | -179 | -177.3 | 61.5 | -166.6 | -8.8 | 111.1 | A145 R146 I147 S152 H153 N213 | A145-R149 WeakPolarHBondContact O-CB 3.42Å; A145-R149 PolarHBondContact O-N 3.02Å; A145-R149 VanDerWaalsContact O-N 3.13Å; R146-R149 PolarHBondContact O-N 3.08Å; I147-R149 PolarHBondContact O-N 3.08Å; R149-S152 PolarHBondContact O-N 3.13Å; R149-S152 PolarHBondContact O-OG 3.35Å; R149-H153 PolarHBondContact O-CE1 2.63Å; R149-H153 PolarHBondContact O-ND1 2.85Å; R149-N213 PolarHBondContact N-OD1 2.98Å |
| 150 | D | 98.4 | Very high | 98.2 | Very high | 65 Ų | 65 | 44 Ų | 44 | 35% | 0.348 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.5 | -44.7 | -174.8 | -65.3 | 0.4 | 0 | 0 | 0 | 110.3 | R146 I147 S152 H153 | R146-D150 VanDerWaalsContact CG-OD2 3.3Å; R146-D150 WeakPolarHBondContact CG-OD2 3.21Å; R146-D150 WeakPolarHBondContact O-CB 3.31Å; R146-D150 PolarHBondContact O-N 3.42Å; I147-D150 PolarHBondContact O-N 3.38Å; D150-S152 VanDerWaalsContact C-N 3.3Å; D150-S152 PolarHBondContact O-N 3.1Å; D150-H153 WeakPolarHBondContact O-CB 3.16Å; D150-H153 PolarHBondContact O-N 3.01Å |
| 151 | L | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.7 | -26.9 | 176.8 | -66.6 | 179.9 | 0 | 0 | 0 | 113.5 | I147 H153 I154 G155 V158 F169 A171 I180 L209 | I147-L151 HydrophobicContact CG2-CD1 3.88Å; I147-L151 HydrophobicContact CG2-CG 4.5Å; I147-L151 WeakPolarHBondContact O-CB 3.2Å; I147-L151 WeakPolarHBondContact O-CG 3.34Å; I147-L151 PolarHBondContact O-N 2.96Å; L151-H153 PolarHBondContact O-N 3.42Å; L151-I154 WeakPolarHBondContact O-CA 3.44Å; L151-I154 WeakPolarHBondContact O-CB 3.3Å; L151-I154 PolarHBondContact O-N 2.91Å; L151-G155 PolarHBondContact O-N 3.39Å; L151-G155 VanDerWaalsContact O-N 3.11Å; L151-V158 HydrophobicContact CD1-CG2 3.74Å; L151-F169 HydrophobicContact CD1-CB 3.58Å; L151-A171 HydrophobicContact CB-CB 3.96Å; L151-A171 HydrophobicContact CD2-CB 4.05Å; L151-A171 HydrophobicContact CG-CB 4.4Å; L151-I180 HydrophobicContact CD2-CD1 4.25Å; L151-I180 HydrophobicContact CD2-CG1 4.48Å; L151-I180 HydrophobicContact CG-CD1 4.19Å; L151-L209 HydrophobicContact CB-CD1 3.95Å; L151-L209 HydrophobicContact CB-CD2 4.28Å |
| 152 | S | 97.8 | Very high | 98.2 | Very high | 46 Ų | 46 | 43.4 Ų | 43.4 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.8 | -13.7 | 174.9 | 69.6 | 0 | 0 | 0 | 0 | 114.3 | C148 R149 D150 I154 N213 | C148-S152 WeakPolarHBondContact O-CB 3.21Å; C148-S152 PolarHBondContact O-N 3.16Å; C148-S152 VanDerWaalsContact O-N 3.08Å; C148-S152 PolarHBondContact O-OG 3.19Å; R149-S152 PolarHBondContact O-N 3.13Å; R149-S152 PolarHBondContact O-OG 3.35Å; D150-S152 VanDerWaalsContact C-N 3.3Å; D150-S152 PolarHBondContact O-N 3.1Å; S152-I154 VanDerWaalsContact C-N 3.32Å; S152-N213 VanDerWaalsContact CB-ND2 3.34Å; S152-N213 WeakPolarHBondContact CB-ND2 3.2Å; S152-N213 PolarHBondContact OG-ND2 3.42Å |
| 153 | H | 97.3 | Very high | 98 | Very high | 124 Ų | 124 | 43 Ų | 43 | 57% | 0.574 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -15.9 | 168.2 | -62.2 | 83.5 | 0 | 0 | 0 | 112.3 | R149 D150 L151 L175 | R149-H153 PolarHBondContact O-CE1 2.63Å; R149-H153 PolarHBondContact O-ND1 2.85Å; D150-H153 WeakPolarHBondContact O-CB 3.16Å; D150-H153 PolarHBondContact O-N 3.01Å; L151-H153 PolarHBondContact O-N 3.42Å; H153-L175 WeakPolarHBondContact O-CD1 3.29Å |
| 154 | I | 98.1 | Very high | 97.5 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 26% | 0.256 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -45.2 | -177.4 | -54.2 | -58.5 | 0 | 0 | 0 | 111.1 | L151 S152 A171 G173 G176 | L151-I154 WeakPolarHBondContact O-CA 3.44Å; L151-I154 WeakPolarHBondContact O-CB 3.3Å; L151-I154 PolarHBondContact O-N 2.91Å; S152-I154 VanDerWaalsContact C-N 3.32Å; I154-A171 HydrophobicContact CB-CB 4.37Å; I154-A171 HydrophobicContact CG2-CB 4.47Å; I154-G173 VanDerWaalsContact O-CA 3.25Å; I154-G173 WeakPolarHBondContact O-CA 3.44Å; I154-G173 PolarHBondContact O-N 3.37Å; I154-G176 VanDerWaalsContact CG2-O 3.24Å; I154-G176 WeakPolarHBondContact CG2-O 3.35Å |
| 155 | G | 97.4 | Very high | 97 | Very high | 10 Ų | 10 | 54 Ų | 54 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | trans | -160.6 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | L151 L209 | L151-G155 PolarHBondContact O-N 3.39Å; L151-G155 VanDerWaalsContact O-N 3.11Å; G155-L209 VanDerWaalsContact O-CD1 3.23Å; G155-L209 WeakPolarHBondContact O-CD1 3.19Å | ||
| 156 | D | 97.2 | Very high | 96.8 | Very high | 136 Ų | 136 | 53.2 Ų | 53.2 | 73% | 0.727 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -85.1 | -12.8 | -174.4 | -65.7 | -37.8 | 0 | 0 | 0 | 114.1 | L209 | D156-L209 PolarHBondContact O-N 3.38Š|
| 157 | A | 97.8 | Very high | 96.8 | Very high | 26 Ų | 26 | 47 Ų | 47 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 150 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A171 T206 F207 K254 | A157-A171 WeakPolarHBondContact O-CB 3.43Å; A157-T206 HydrophobicContact CB-CG2 3.91Å; A157-F207 CarbonylContact C-O 3.54Å; A157-F207 WeakPolarHBondContact CA-O 3.43Å; A157-K254 HydrophobicContact CB-CD 4.2Å |
| 158 | V | 98.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.6 | 172 | 61.6 | 0 | 0 | 0 | 0 | 109.6 | L151 I160 F169 S170 T206 F207 L209 L212 | L151-V158 HydrophobicContact CD1-CG2 3.74Å; V158-I160 HydrophobicContact CG1-CD1 4.36Å; V158-I160 HydrophobicContact CG1-CG1 4.12Å; V158-I160 HydrophobicContact CG2-CG1 4.15Å; V158-F169 HydrophobicContact CG2-CB 3.97Å; V158-F169 HydrophobicContact CG2-CD1 4.2Å; V158-S170 CarbonylContact C-O 3.55Å; V158-S170 VanDerWaalsContact CA-O 3.31Å; V158-S170 WeakPolarHBondContact CA-O 3.49Å; V158-T206 CarbonylContact O-C 3.57Å; V158-T206 WeakPolarHBondContact O-CA 3.39Å; V158-F207 HydrophobicContact CG1-CB 4.37Å; V158-F207 PolarHBondContact N-O 2.81Å; V158-F207 PolarHBondContact O-N 3.47Å; V158-L209 HydrophobicContact CB-CD1 4.05Å; V158-L209 HydrophobicContact CB-CD2 3.82Å; V158-L209 HydrophobicContact CB-CG 3.79Å; V158-L209 HydrophobicContact CG1-CD2 3.75Å; V158-L209 HydrophobicContact CG1-CG 3.88Å; V158-L212 HydrophobicContact CG1-CD1 3.44Å; V158-L212 VanDerWaalsContact CG1-CD1 3.44Å |
| 159 | V | 98.2 | Very high | 96.8 | Very high | 35 Ų | 35 | 50.7 Ų | 50.7 | 21% | 0.212 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 118.1 | 164.3 | -176.1 | 0 | 0 | 0 | 0 | 107.1 | F169 S170 Q204 L205 T206 | V159-F169 WeakPolarHBondContact O-CA 3.45Å; V159-S170 PolarHBondContact N-O 3.04Å; V159-S170 PolarHBondContact O-N 3.46Å; V159-Q204 HydrophobicContact CG1-CG 3.47Å; V159-Q204 VanDerWaalsContact CG1-CG 3.47Å; V159-L205 WeakPolarHBondContact CA-O 3.34Å; V159-T206 HydrophobicContact CG2-CG2 4.46Å |
| 160 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114.6 | 173.6 | -51.1 | -179.8 | 0 | 0 | 0 | 107.3 | V158 V167 K168 F169 Q204 L205 F207 L212 M229 L235 | V158-I160 HydrophobicContact CG1-CD1 4.36Å; V158-I160 HydrophobicContact CG1-CG1 4.12Å; V158-I160 HydrophobicContact CG2-CG1 4.15Å; I160-V167 HydrophobicContact CG2-CG2 3.95Å; I160-K168 WeakPolarHBondContact CA-O 3.46Å; I160-F169 HydrophobicContact CD1-CD1 4.17Å; I160-F169 HydrophobicContact CD1-CE1 3.92Å; I160-F169 HydrophobicContact CG1-CD1 3.83Å; I160-F169 HydrophobicContact CG1-CE1 4.01Å; I160-F169 HydrophobicContact CG2-CD1 4.24Å; I160-F169 HydrophobicContact CG2-CE1 3.94Å; I160-F169 HydrophobicContact CG2-CZ 4.45Å; I160-Q204 WeakPolarHBondContact O-CA 3.43Å; I160-L205 PolarHBondContact N-O 3.02Å; I160-L205 PolarHBondContact O-N 3.37Å; I160-F207 HydrophobicContact CB-CE2 4.46Å; I160-F207 HydrophobicContact CD1-CD2 3.68Å; I160-F207 HydrophobicContact CD1-CE2 4.03Å; I160-F207 HydrophobicContact CG1-CD2 4.02Å; I160-F207 HydrophobicContact CG1-CE2 4.37Å; I160-L212 HydrophobicContact CD1-CD1 4.42Å; I160-M229 HydrophobicContact CB-SD 4.24Å; I160-M229 HydrophobicContact CG2-CE 4.18Å; I160-M229 HydrophobicContact CG2-SD 3.6Å; I160-M229 VanDerWaalsContact CG2-SD 3.6Å; I160-L235 HydrophobicContact CD1-CD2 4.37Å |
| 161 | S | 97.5 | Very high | 96.8 | Very high | 21 Ų | 21 | 42.4 Ų | 42.4 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126.1 | 178.1 | -47.6 | 0 | 0 | 0 | 0 | 109.5 | V167 K168 V203 Q204 | S161-V167 CarbonylContact O-C 3.59Å; S161-V167 WeakPolarHBondContact O-CA 3.22Å; S161-K168 PolarHBondContact N-O 3.36Å; S161-K168 PolarHBondContact O-N 2.93Å; S161-V203 CarbonylContact C-O 3.53Å; S161-V203 VanDerWaalsContact CA-O 3.32Å; S161-V203 WeakPolarHBondContact CA-O 3.46Å; S161-Q204 WeakPolarHBondContact OG-CG 3.46Å; S161-Q204 PolarHBondContact OG-OE1 2.88Å |
| 162 | C | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.3 | 171.3 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | C135 P202 V203 M229 | C135-C162 HydrophobicContact CB-CB 4Å; C135-C162 VanDerWaalsContact SG-CB 3.55Å; C135-C162 VanDerWaalsContact SG-SG 3.66Å; C162-P202 VanDerWaalsContact O-CA 3.3Å; C162-P202 WeakPolarHBondContact O-CA 3.49Å; C162-V203 HydrophobicContact CB-CG1 4.1Å; C162-V203 PolarHBondContact N-O 3.4Å; C162-V203 PolarHBondContact O-N 3.12Å; C162-V203 VanDerWaalsContact O-N 3.1Å; C162-M229 HydrophobicContact CB-CE 3.99Å |
| 163 | A | 94.5 | Very high | 96.7 | Very high | 34 Ų | 34 | 45.7 Ų | 45.7 | 28% | 0.281 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 179.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | D165 G166 M199 | A163-D165 PolarHBondContact O-N 2.94Å; A163-G166 PolarHBondContact N-O 3.3Å; A163-G166 PolarHBondContact O-N 3.15Å; A163-G166 VanDerWaalsContact O-O 3.07Å; A163-M199 WeakPolarHBondContact CA-SD 3.47Å |
| 164 | K | 89 | Confident | 96.6 | Very high | 199 Ų | 199 | 49.8 Ų | 49.8 | 87% | 0.865 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26.7 | -177.3 | -68.9 | -174.5 | 177.9 | 179.6 | 0 | 114.1 | M199 | K164-M199 HydrophobicContact CB-CE 4.41Å; K164-M199 HydrophobicContact CG-CE 3.59Å |
| 165 | D | 87.5 | Confident | 96.4 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 0.5 | -174.7 | 69.6 | -32.2 | 0 | 0 | 0 | 113.5 | A163 K181 | A163-D165 PolarHBondContact O-N 2.94Å; D165-K181 WeakPolarHBondContact O-CE 3.49Å; D165-K181 PolarHBondContact O-NZ 2.99Å; D165-K181 WeakPolarHBondContact OD2-CE 3.48Å; D165-K181 IonicContact OD2-NZ 3.46Å; D165-K181 PolarHBondContact OD2-NZ 2.62Å |
| 166 | G | 95.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.3 | -166.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | A163 L182 | A163-G166 PolarHBondContact N-O 3.3Å; A163-G166 PolarHBondContact O-N 3.15Å; A163-G166 VanDerWaalsContact O-O 3.07Å; G166-L182 CarbonylContact C-O 3.55Å; G166-L182 VanDerWaalsContact CA-O 3.29Å; G166-L182 WeakPolarHBondContact CA-O 3.46Å |
| 167 | V | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 136.2 | 169.2 | 63.3 | 0 | 0 | 0 | 0 | 109.4 | V137 M139 I160 S161 F169 K181 L182 I197 | V137-V167 HydrophobicContact CG1-CB 4.44Å; V137-V167 HydrophobicContact CG1-CG1 4.01Å; V137-V167 HydrophobicContact CG2-CB 4.37Å; V137-V167 HydrophobicContact CG2-CG2 4.49Å; M139-V167 HydrophobicContact CE-CG1 4.35Å; I160-V167 HydrophobicContact CG2-CG2 3.95Å; S161-V167 CarbonylContact O-C 3.59Å; S161-V167 WeakPolarHBondContact O-CA 3.22Å; V167-F169 HydrophobicContact CG1-CE2 3.92Å; V167-F169 HydrophobicContact CG1-CZ 4.49Å; V167-F169 HydrophobicContact CG2-CE2 3.85Å; V167-F169 HydrophobicContact CG2-CZ 3.94Å; V167-K181 CarbonylContact O-C 3.52Å; V167-K181 WeakPolarHBondContact O-CA 3.5Å; V167-L182 HydrophobicContact CG1-CB 3.8Å; V167-L182 HydrophobicContact CG1-CD1 4.49Å; V167-L182 HydrophobicContact CG1-CG 4.48Å; V167-L182 PolarHBondContact N-O 2.78Å; V167-L182 PolarHBondContact O-N 3.34Å; V167-I197 HydrophobicContact CG1-CD1 4.4Å |
| 168 | K | 98.4 | Very high | 96.4 | Very high | 80 Ų | 80 | 53.8 Ų | 53.8 | 35% | 0.348 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.1 | -179.7 | -170.7 | -171.5 | 179.1 | -148.7 | 0 | 109.8 | I160 S161 S170 N179 I180 | I160-K168 WeakPolarHBondContact CA-O 3.46Å; S161-K168 PolarHBondContact N-O 3.36Å; S161-K168 PolarHBondContact O-N 2.93Å; K168-S170 WeakPolarHBondContact CE-OG 3.45Å; K168-S170 PolarHBondContact NZ-OG 3.41Å; K168-S170 VanDerWaalsContact NZ-OG 3.12Å; K168-N179 WeakPolarHBondContact CE-OD1 3.39Å; K168-N179 PolarHBondContact NZ-OD1 3.5Å; K168-I180 CarbonylContact C-O 3.54Å; K168-I180 WeakPolarHBondContact CA-O 3.27Å |
| 169 | F | 98.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 120.1 | 173.7 | -58 | -95.2 | 0 | 0 | 0 | 108.4 | M139 F144 I147 L151 V158 V159 I160 V167 N179 I180 L182 L227 | M139-F169 HydrophobicContact CE-CE2 4.37Å; M139-F169 HydrophobicContact CE-CZ 3.96Å; M139-F169 HydrophobicContact SD-CZ 4.38Å; F144-F169 HydrophobicContact CD2-CE1 4.34Å; F144-F169 HydrophobicContact CD2-CZ 4.45Å; F144-F169 HydrophobicContact CE2-CE1 4.1Å; I147-F169 HydrophobicContact CD1-CD2 4.07Å; I147-F169 HydrophobicContact CD1-CE2 4.03Å; I147-F169 HydrophobicContact CG2-CB 3.79Å; I147-F169 HydrophobicContact CG2-CD1 3.88Å; I147-F169 HydrophobicContact CG2-CD2 4.02Å; I147-F169 HydrophobicContact CG2-CE1 4.48Å; I147-F169 HydrophobicContact CG2-CG 3.63Å; L151-F169 HydrophobicContact CD1-CB 3.58Å; V158-F169 HydrophobicContact CG2-CB 3.97Å; V158-F169 HydrophobicContact CG2-CD1 4.2Å; V159-F169 WeakPolarHBondContact O-CA 3.45Å; I160-F169 HydrophobicContact CD1-CD1 4.17Å; I160-F169 HydrophobicContact CD1-CE1 3.92Å; I160-F169 HydrophobicContact CG1-CD1 3.83Å; I160-F169 HydrophobicContact CG1-CE1 4.01Å; I160-F169 HydrophobicContact CG2-CD1 4.24Å; I160-F169 HydrophobicContact CG2-CE1 3.94Å; I160-F169 HydrophobicContact CG2-CZ 4.45Å; V167-F169 HydrophobicContact CG1-CE2 3.92Å; V167-F169 HydrophobicContact CG1-CZ 4.49Å; V167-F169 HydrophobicContact CG2-CE2 3.85Å; V167-F169 HydrophobicContact CG2-CZ 3.94Å; F169-N179 WeakPolarHBondContact O-CA 3.1Å; F169-I180 PolarHBondContact N-O 3.41Å; F169-I180 PolarHBondContact O-N 2.82Å; F169-L182 HydrophobicContact CE2-CD1 4.36Å; F169-L227 HydrophobicContact CE1-CD1 4.26Å; F169-L227 HydrophobicContact CZ-CD1 4.13Å |
| 170 | S | 98.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 58.6 Ų | 58.6 | 11% | 0.112 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.9 | -176.9 | -72.4 | 0 | 0 | 0 | 0 | 110.6 | V158 V159 K168 G178 N179 | V158-S170 CarbonylContact C-O 3.55Å; V158-S170 VanDerWaalsContact CA-O 3.31Å; V158-S170 WeakPolarHBondContact CA-O 3.49Å; V159-S170 PolarHBondContact N-O 3.04Å; V159-S170 PolarHBondContact O-N 3.46Å; K168-S170 WeakPolarHBondContact CE-OG 3.45Å; K168-S170 PolarHBondContact NZ-OG 3.41Å; K168-S170 VanDerWaalsContact NZ-OG 3.12Å; S170-G178 VanDerWaalsContact CA-O 3.31Å; S170-G178 WeakPolarHBondContact CA-O 3.4Å; S170-N179 PolarHBondContact OG-OD1 3.27Å |
| 171 | A | 98.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L151 I154 A157 N177 G178 L209 | L151-A171 HydrophobicContact CB-CB 3.96Å; L151-A171 HydrophobicContact CD2-CB 4.05Å; L151-A171 HydrophobicContact CG-CB 4.4Å; I154-A171 HydrophobicContact CB-CB 4.37Å; I154-A171 HydrophobicContact CG2-CB 4.47Å; A157-A171 WeakPolarHBondContact O-CB 3.43Å; A171-N177 CarbonylContact O-C 3.55Å; A171-N177 WeakPolarHBondContact O-CA 3.34Å; A171-G178 PolarHBondContact N-O 2.6Å; A171-G178 PolarHBondContact O-N 3.47Å; A171-L209 HydrophobicContact CB-CD1 4.3Å |
| 172 | S | 97.7 | Very high | 96.3 | Very high | 82 Ų | 82 | 63.3 Ų | 63.3 | 57% | 0.573 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 139.8 | 178.1 | -70.7 | 0 | 0 | 0 | 0 | 109.1 | N177 | S172-N177 VanDerWaalsContact CB-OD1 3.28Å; S172-N177 WeakPolarHBondContact CB-OD1 3.32Å; S172-N177 PolarHBondContact OG-OD1 3.17Å |
| 173 | G | 96.5 | Very high | 96.2 | Very high | 37 Ų | 37 | 66.4 Ų | 66.4 | 38% | 0.381 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | -167.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I154 L175 G176 | I154-G173 VanDerWaalsContact O-CA 3.25Å; I154-G173 WeakPolarHBondContact O-CA 3.44Å; I154-G173 PolarHBondContact O-N 3.37Å; G173-L175 VanDerWaalsContact C-N 3.27Å; G173-L175 PolarHBondContact O-N 2.87Å; G173-G176 PolarHBondContact N-O 2.95Å; G173-G176 PolarHBondContact O-N 2.93Å |
| 174 | E | 95.1 | Very high | 96.2 | Very high | 209 Ų | 209 | 69.7 Ų | 69.7 | 98% | 0.977 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -33.7 | -172 | -63.3 | -174.2 | 168.8 | 0 | 0 | 113.5 | G176 | E174-G176 VanDerWaalsContact C-N 3.27Å; E174-G176 PolarHBondContact O-N 2.87Å |
| 175 | L | 93.8 | Very high | 96.3 | Very high | 148 Ų | 148 | 62.7 Ų | 62.7 | 78% | 0.775 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -15.9 | 178.9 | -67.3 | 176.5 | 0 | 0 | 0 | 113.2 | H153 G173 | H153-L175 WeakPolarHBondContact O-CD1 3.29Å; G173-L175 VanDerWaalsContact C-N 3.27Å; G173-L175 PolarHBondContact O-N 2.87Å |
| 176 | G | 96.4 | Very high | 96.1 | Very high | 28 Ų | 28 | 63.5 Ų | 63.5 | 29% | 0.289 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 132.5 | -149.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I154 G173 E174 | I154-G176 VanDerWaalsContact CG2-O 3.24Å; I154-G176 WeakPolarHBondContact CG2-O 3.35Å; G173-G176 PolarHBondContact N-O 2.95Å; G173-G176 PolarHBondContact O-N 2.93Å; E174-G176 VanDerWaalsContact C-N 3.27Å; E174-G176 PolarHBondContact O-N 2.87Å |
| 177 | N | 97.7 | Very high | 95.5 | Very high | 118 Ų | 118 | 70.5 Ų | 70.5 | 63% | 0.631 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.6 | -174.4 | -60.1 | -44 | 0 | 0 | 0 | 111 | A171 S172 | A171-N177 CarbonylContact O-C 3.55Å; A171-N177 WeakPolarHBondContact O-CA 3.34Å; S172-N177 VanDerWaalsContact CB-OD1 3.28Å; S172-N177 WeakPolarHBondContact CB-OD1 3.32Å; S172-N177 PolarHBondContact OG-OD1 3.17Å |
| 178 | G | 98 | Very high | 94.9 | Very high | 12 Ų | 12 | 73 Ų | 73 | 12% | 0.124 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | S170 A171 | S170-G178 VanDerWaalsContact CA-O 3.31Å; S170-G178 WeakPolarHBondContact CA-O 3.4Å; A171-G178 PolarHBondContact N-O 2.6Å; A171-G178 PolarHBondContact O-N 3.47Å |
| 179 | N | 97.9 | Very high | 94.4 | Very high | 95 Ų | 95 | 77.2 Ų | 77.2 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 119.7 | 177.3 | -66.5 | -88.4 | 0 | 0 | 0 | 109.3 | K168 F169 S170 | K168-N179 WeakPolarHBondContact CE-OD1 3.39Å; K168-N179 PolarHBondContact NZ-OD1 3.5Å; F169-N179 WeakPolarHBondContact O-CA 3.1Å; S170-N179 PolarHBondContact OG-OD1 3.27Å |
| 180 | I | 98.3 | Very high | 94 | Very high | 44 Ų | 44 | 82.2 Ų | 82.2 | 23% | 0.226 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.3 | 176.3 | -56.5 | 172.9 | 0 | 0 | 0 | 107.7 | I147 L151 K168 F169 | I147-I180 HydrophobicContact CB-CD1 4.34Å; I147-I180 HydrophobicContact CD1-CG2 4.08Å; I147-I180 HydrophobicContact CG1-CD1 3.99Å; I147-I180 HydrophobicContact CG1-CG2 4.04Å; I147-I180 HydrophobicContact CG2-CD1 4.22Å; L151-I180 HydrophobicContact CD2-CD1 4.25Å; L151-I180 HydrophobicContact CD2-CG1 4.48Å; L151-I180 HydrophobicContact CG-CD1 4.19Å; K168-I180 CarbonylContact C-O 3.54Å; K168-I180 WeakPolarHBondContact CA-O 3.27Å; F169-I180 PolarHBondContact N-O 3.41Å; F169-I180 PolarHBondContact O-N 2.82Å |
| 181 | K | 98 | Very high | 93.5 | Very high | 96 Ų | 96 | 89.5 Ų | 89.5 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.3 | -179.4 | -173.5 | -175.8 | 174.5 | -170.3 | 0 | 109.8 | D165 V167 | D165-K181 WeakPolarHBondContact O-CE 3.49Å; D165-K181 PolarHBondContact O-NZ 2.99Å; D165-K181 WeakPolarHBondContact OD2-CE 3.48Å; D165-K181 IonicContact OD2-NZ 3.46Å; D165-K181 PolarHBondContact OD2-NZ 2.62Å; V167-K181 CarbonylContact O-C 3.52Å; V167-K181 WeakPolarHBondContact O-CA 3.5Å |
| 182 | L | 97.4 | Very high | 93.2 | Very high | 24 Ų | 24 | 93.3 Ų | 93.3 | 13% | 0.126 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 135.8 | 170.9 | -55.2 | 178.8 | 0 | 0 | 0 | 109 | M139 E143 I147 G166 V167 F169 V195 | M139-L182 HydrophobicContact CE-CD1 4.19Å; M139-L182 HydrophobicContact SD-CD1 3.73Å; E143-L182 HydrophobicContact CG-CD1 4.33Å; E143-L182 HydrophobicContact CG-CD2 4.4Å; I147-L182 HydrophobicContact CD1-CD1 3.89Å; I147-L182 HydrophobicContact CD1-CG 4.31Å; G166-L182 CarbonylContact C-O 3.55Å; G166-L182 VanDerWaalsContact CA-O 3.29Å; G166-L182 WeakPolarHBondContact CA-O 3.46Å; V167-L182 HydrophobicContact CG1-CB 3.8Å; V167-L182 HydrophobicContact CG1-CD1 4.49Å; V167-L182 HydrophobicContact CG1-CG 4.48Å; V167-L182 PolarHBondContact N-O 2.78Å; V167-L182 PolarHBondContact O-N 3.34Å; F169-L182 HydrophobicContact CE2-CD1 4.36Å; L182-V195 HydrophobicContact CB-CG1 4.27Å; L182-V195 HydrophobicContact CB-CG2 4.44Å; L182-V195 HydrophobicContact CD1-CG2 4.35Å |
| 183 | S | 95.7 | Very high | 93 | Very high | 65 Ų | 65 | 94 Ų | 94 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | trans | -108.9 | 155.2 | 176.9 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | T185 | S183-T185 PolarHBondContact O-N 3.19Š| ||
| 184 | Q | 93.9 | Very high | 93 | Very high | 103 Ų | 103 | 93 Ų | 93 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | trans | -47.9 | 125 | 170.4 | -173.8 | 78.3 | -10.4 | 0 | 0 | 109.6 | V195 | Q184-V195 PolarHBondContact OE1-O 3.18Š| ||
| 185 | T | 91.2 | Very high | 93.1 | Very high | 52 Ų | 52 | 83.6 Ų | 83.6 | 32% | 0.319 | 45% | 0.451 | S | S | . | . | trans | -85.8 | 130.7 | 178.2 | -32.3 | 0 | 0 | 0 | 0 | 109.5 | S183 V188 V195 | S183-T185 PolarHBondContact O-N 3.19Å; T185-V188 HydrophobicContact CG2-CG1 3.44Å; T185-V188 VanDerWaalsContact CG2-CG1 3.44Å; T185-V195 PolarHBondContact N-O 2.84Å; T185-V195 WeakPolarHBondContact OG1-CB 3.4Å; T185-V195 PolarHBondContact OG1-N 2.78Å | ||
| 186 | S | 83.2 | Confident | 93.2 | Very high | 115 Ų | 115 | 79 Ų | 79 | 80% | 0.804 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -90.7 | -35.7 | -175.6 | 44.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 187 | N | 83.1 | Confident | 93.2 | Very high | 152 Ų | 152 | 78.9 Ų | 78.9 | 81% | 0.813 | 42% | 0.422 | S | S | * | . | trans | -143.6 | 126.1 | 176.2 | -83.1 | -27.7 | 0 | 0 | 0 | 109.1 | ||||
| 188 | V | 85.8 | Confident | 93.1 | Very high | 53 Ų | 53 | 79.5 Ų | 79.5 | 32% | 0.321 | 42% | 0.421 | S | S | . | . | trans | -134.9 | 149.1 | 167.9 | -70.5 | 0 | 0 | 0 | 0 | 108.8 | T185 K190 E193 A194 | T185-V188 HydrophobicContact CG2-CG1 3.44Å; T185-V188 VanDerWaalsContact CG2-CG1 3.44Å; V188-K190 VanDerWaalsContact C-N 3.26Å; V188-K190 WeakPolarHBondContact CG2-O 3.42Å; V188-K190 PolarHBondContact O-N 3.35Å; V188-E193 HydrophobicContact CB-CB 4.47Å; V188-E193 HydrophobicContact CG1-CB 4.45Å; V188-A194 HydrophobicContact CG2-CB 3.67Å | ||
| 189 | D | 88 | Confident | 92.9 | Very high | 168 Ų | 168 | 81.3 Ų | 81.3 | 90% | 0.898 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -69.7 | -28.5 | 177.6 | -66.8 | -31.1 | 0 | 0 | 0 | 111.8 | ||
| 190 | K | 89.2 | Confident | 92.8 | Very high | 107 Ų | 107 | 82.8 Ų | 82.8 | 47% | 0.465 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -128.9 | 130.8 | 179.4 | -56.6 | -178.8 | -168.7 | 160.1 | 0 | 110.7 | V188 E192 E193 | V188-K190 VanDerWaalsContact C-N 3.26Å; V188-K190 WeakPolarHBondContact CG2-O 3.42Å; V188-K190 PolarHBondContact O-N 3.35Å; K190-E192 HydrophobicContact CB-CG 4.04Å; K190-E192 PolarHBondContact O-N 3.26Å; K190-E192 VanDerWaalsContact O-N 3.12Å; K190-E193 HydrophobicContact CB-CG 4.23Å; K190-E193 IonicContact NZ-OE1 2.82Å; K190-E193 WeakPolarHBondContact O-CB 3.39Å; K190-E193 PolarHBondContact O-N 2.97Å |
| 191 | E | 89.1 | Confident | 92.6 | Very high | 168 Ų | 168 | 86.9 Ų | 86.9 | 79% | 0.785 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -57.4 | -29.8 | -179.8 | -67.5 | -173.8 | 172.7 | 0 | 0 | 113.7 | E193 A194 | E191-E193 PolarHBondContact O-N 2.57Å; E191-A194 VanDerWaalsContact O-CB 3.29Å; E191-A194 WeakPolarHBondContact O-CB 3.43Å; E191-A194 PolarHBondContact O-N 3Å |
| 192 | E | 91.3 | Very high | 92.5 | Very high | 84 Ų | 84 | 86.9 Ų | 86.9 | 39% | 0.393 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -71.8 | -13.7 | 178.3 | 62.9 | -166 | -179.1 | 0 | 0 | 114.4 | K190 S223 T224 | K190-E192 HydrophobicContact CB-CG 4.04Å; K190-E192 PolarHBondContact O-N 3.26Å; K190-E192 VanDerWaalsContact O-N 3.12Å; E192-S223 WeakPolarHBondContact CB-OG 3.45Å; E192-S223 WeakPolarHBondContact OE2-CB 3.45Å; E192-S223 PolarHBondContact OE2-OG 3.04Å; E192-T224 HydrophobicContact CB-CG2 3.97Å |
| 193 | E | 93.7 | Very high | 92.5 | Very high | 97 Ų | 97 | 86.4 Ų | 86.4 | 45% | 0.453 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -91.7 | -9.1 | 173.7 | -62.9 | 178.1 | -172.2 | 0 | 0 | 111.9 | V188 K190 E191 | V188-E193 HydrophobicContact CB-CB 4.47Å; V188-E193 HydrophobicContact CG1-CB 4.45Å; K190-E193 HydrophobicContact CB-CG 4.23Å; K190-E193 IonicContact NZ-OE1 2.82Å; K190-E193 WeakPolarHBondContact O-CB 3.39Å; K190-E193 PolarHBondContact O-N 2.97Å; E191-E193 PolarHBondContact O-N 2.57Å |
| 194 | A | 95.4 | Very high | 92.5 | Very high | 15 Ų | 15 | 89.6 Ų | 89.6 | 12% | 0.124 | 47% | 0.468 | C | S | . | . | trans | -73.8 | 144.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V188 E191 | V188-A194 HydrophobicContact CG2-CB 3.67Å; E191-A194 VanDerWaalsContact O-CB 3.29Å; E191-A194 WeakPolarHBondContact O-CB 3.43Å; E191-A194 PolarHBondContact O-N 3Å | ||
| 195 | V | 97.2 | Very high | 92.7 | Very high | 12 Ų | 12 | 85.8 Ų | 85.8 | 7% | 0.073 | 45% | 0.451 | C | S | . | . | trans | -100.6 | 119 | 159.3 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | K138 M139 L182 Q184 T185 I197 | K138-V195 CarbonylContact O-C 3.54Å; K138-V195 WeakPolarHBondContact O-CA 3.24Å; M139-V195 HydrophobicContact CB-CG1 4.46Å; M139-V195 HydrophobicContact CB-CG2 4.1Å; L182-V195 HydrophobicContact CB-CG1 4.27Å; L182-V195 HydrophobicContact CB-CG2 4.44Å; L182-V195 HydrophobicContact CD1-CG2 4.35Å; Q184-V195 PolarHBondContact OE1-O 3.18Å; T185-V195 PolarHBondContact N-O 2.84Å; T185-V195 WeakPolarHBondContact OG1-CB 3.4Å; T185-V195 PolarHBondContact OG1-N 2.78Å; V195-I197 HydrophobicContact CG1-CD1 4.26Å; V195-I197 HydrophobicContact CG1-CG1 4.1Å | ||
| 196 | T | 96.3 | Very high | 93 | Very high | 50 Ų | 50 | 84.3 Ų | 84.3 | 31% | 0.307 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.5 | 175.6 | -48.4 | 0 | 0 | 0 | 0 | 109.5 | V137 K138 | V137-T196 CarbonylContact C-O 3.58Å; V137-T196 WeakPolarHBondContact CA-O 3.2Å; K138-T196 PolarHBondContact N-O 2.79Å; K138-T196 PolarHBondContact O-N 3.16Å |
| 197 | I | 96.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 78.8 Ų | 78.8 | 14% | 0.138 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 112.6 | -175.1 | -57.1 | 175.1 | 0 | 0 | 0 | 106.9 | V137 V167 V195 M199 | V137-I197 HydrophobicContact CG1-CG1 4.15Å; V137-I197 HydrophobicContact CG2-CG1 4.43Å; V137-I197 HydrophobicContact CG2-CG2 4.33Å; V167-I197 HydrophobicContact CG1-CD1 4.4Å; V195-I197 HydrophobicContact CG1-CD1 4.26Å; V195-I197 HydrophobicContact CG1-CG1 4.1Å; I197-M199 HydrophobicContact CG2-CB 4.44Å |
| 198 | E | 95.6 | Very high | 94.4 | Very high | 131 Ų | 131 | 72.4 Ų | 72.4 | 61% | 0.612 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118 | 168 | -65.2 | 176.6 | -168.6 | 0 | 0 | 107.1 | C135 V136 | C135-E198 CarbonylContact C-O 3.55Å; C135-E198 VanDerWaalsContact CA-O 3.31Å; C135-E198 WeakPolarHBondContact CA-O 3.23Å; V136-E198 HydrophobicContact CB-CB 4.39Å; V136-E198 PolarHBondContact N-O 3.34Å; V136-E198 PolarHBondContact O-N 2.98Å |
| 199 | M | 94.8 | Very high | 95 | Very high | 50 Ų | 50 | 70 Ų | 70 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 115.9 | -175.8 | -176 | -165.2 | 75.7 | 0 | 0 | 110.1 | A163 K164 I197 P202 | A163-M199 WeakPolarHBondContact CA-SD 3.47Å; K164-M199 HydrophobicContact CB-CE 4.41Å; K164-M199 HydrophobicContact CG-CE 3.59Å; I197-M199 HydrophobicContact CG2-CB 4.44Å; M199-P202 HydrophobicContact SD-CG 4.44Å |
| 200 | N | 94.2 | Very high | 95.4 | Very high | 125 Ų | 125 | 70.5 Ų | 70.5 | 67% | 0.668 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -86.4 | -49.1 | 169.9 | -65.1 | -37.9 | 0 | 0 | 0 | 110.2 | Y133 S134 | Y133-N200 PolarHBondContact O-ND2 3.36Å; S134-N200 PolarHBondContact O-N 3.1Å |
| 201 | E | 95.2 | Very high | 95.9 | Very high | 130 Ų | 130 | 66.8 Ų | 66.8 | 61% | 0.607 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -135.9 | 143.2 | -179.8 | -63.7 | -174.5 | 168.1 | 0 | 0 | 110.2 | S134 C135 | S134-E201 PolarHBondContact O-N 3.06Å; C135-E201 PolarHBondContact SG-O 3.43Å |
| 202 | P | 96.4 | Very high | 96.3 | Very high | 97 Ų | 97 | 58.8 Ų | 58.8 | 63% | 0.63 | 29% | 0.292 | S | S | * | . | trans | -61 | 138.9 | 174.3 | -20.1 | 32.2 | 0 | 0 | 0 | 111.3 | C162 M199 | C162-P202 VanDerWaalsContact O-CA 3.3Å; C162-P202 WeakPolarHBondContact O-CA 3.49Å; M199-P202 HydrophobicContact SD-CG 4.44Å | ||
| 203 | V | 96.5 | Very high | 96.6 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143 | 178.3 | 77.7 | 0 | 0 | 0 | 0 | 110.1 | C135 S161 C162 L205 M229 | C135-V203 HydrophobicContact CB-CG1 3.97Å; C135-V203 WeakPolarHBondContact SG-CG1 3.4Å; S161-V203 CarbonylContact C-O 3.53Å; S161-V203 VanDerWaalsContact CA-O 3.32Å; S161-V203 WeakPolarHBondContact CA-O 3.46Å; C162-V203 HydrophobicContact CB-CG1 4.1Å; C162-V203 PolarHBondContact N-O 3.4Å; C162-V203 PolarHBondContact O-N 3.12Å; C162-V203 VanDerWaalsContact O-N 3.1Å; V203-L205 HydrophobicContact CG2-CD1 3.97Å; V203-L205 HydrophobicContact CG2-CG 4.04Å; V203-M229 HydrophobicContact CG1-CB 3.8Å; V203-M229 HydrophobicContact CG1-CE 4.18Å; V203-M229 HydrophobicContact CG1-SD 4.42Å |
| 204 | Q | 96.7 | Very high | 96.8 | Very high | 132 Ų | 132 | 54.1 Ų | 54.1 | 62% | 0.617 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 122 | 171 | 178.3 | 172.6 | -69 | 0 | 0 | 109 | V159 I160 S161 | V159-Q204 HydrophobicContact CG1-CG 3.47Å; V159-Q204 VanDerWaalsContact CG1-CG 3.47Å; I160-Q204 WeakPolarHBondContact O-CA 3.43Å; S161-Q204 WeakPolarHBondContact OG-CG 3.46Å; S161-Q204 PolarHBondContact OG-OE1 2.88Å |
| 205 | L | 97.1 | Very high | 97 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 149.7 | -178.3 | -64.8 | 167.1 | 0 | 0 | 0 | 110.4 | V159 I160 V203 F207 S230 P253 | V159-L205 WeakPolarHBondContact CA-O 3.34Å; I160-L205 PolarHBondContact N-O 3.02Å; I160-L205 PolarHBondContact O-N 3.37Å; V203-L205 HydrophobicContact CG2-CD1 3.97Å; V203-L205 HydrophobicContact CG2-CG 4.04Å; L205-F207 HydrophobicContact CB-CD2 4.44Å; L205-F207 HydrophobicContact CB-CE1 4.46Å; L205-F207 HydrophobicContact CB-CE2 3.48Å; L205-F207 VanDerWaalsContact CB-CE2 3.48Å; L205-F207 HydrophobicContact CB-CZ 3.47Å; L205-F207 VanDerWaalsContact CB-CZ 3.47Å; L205-F207 HydrophobicContact CD1-CE2 4.4Å; L205-F207 HydrophobicContact CD1-CZ 3.8Å; L205-F207 HydrophobicContact CG-CZ 4.26Å; L205-S230 WeakPolarHBondContact CD1-O 3.36Å; L205-P253 HydrophobicContact CB-CB 4.47Å; L205-P253 HydrophobicContact CD2-CB 4.2Å |
| 206 | T | 97.8 | Very high | 97.1 | Very high | 20 Ų | 20 | 53.7 Ų | 53.7 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.1 | 179.9 | -58.5 | 0 | 0 | 0 | 0 | 110 | A157 V158 V159 P253 K254 | A157-T206 HydrophobicContact CB-CG2 3.91Å; V158-T206 CarbonylContact O-C 3.57Å; V158-T206 WeakPolarHBondContact O-CA 3.39Å; V159-T206 HydrophobicContact CG2-CG2 4.46Å; T206-P253 CarbonylContact O-C 3.59Å; T206-P253 WeakPolarHBondContact O-CA 3.49Å; T206-K254 HydrophobicContact CG2-CB 4.08Å; T206-K254 HydrophobicContact CG2-CD 4.32Å; T206-K254 PolarHBondContact O-N 2.84Å |
| 207 | F | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 149.4 | -179.5 | -59.2 | -75.9 | 0 | 0 | 0 | 111.8 | A157 V158 I160 L205 L209 L212 L235 L251 P253 | A157-F207 CarbonylContact C-O 3.54Å; A157-F207 WeakPolarHBondContact CA-O 3.43Å; V158-F207 HydrophobicContact CG1-CB 4.37Å; V158-F207 PolarHBondContact N-O 2.81Å; V158-F207 PolarHBondContact O-N 3.47Å; I160-F207 HydrophobicContact CB-CE2 4.46Å; I160-F207 HydrophobicContact CD1-CD2 3.68Å; I160-F207 HydrophobicContact CD1-CE2 4.03Å; I160-F207 HydrophobicContact CG1-CD2 4.02Å; I160-F207 HydrophobicContact CG1-CE2 4.37Å; L205-F207 HydrophobicContact CB-CD2 4.44Å; L205-F207 HydrophobicContact CB-CE1 4.46Å; L205-F207 HydrophobicContact CB-CE2 3.48Å; L205-F207 VanDerWaalsContact CB-CE2 3.48Å; L205-F207 HydrophobicContact CB-CZ 3.47Å; L205-F207 VanDerWaalsContact CB-CZ 3.47Å; L205-F207 HydrophobicContact CD1-CE2 4.4Å; L205-F207 HydrophobicContact CD1-CZ 3.8Å; L205-F207 HydrophobicContact CG-CZ 4.26Å; F207-L209 PolarHBondContact O-N 3.12Å; F207-L212 HydrophobicContact CB-CD1 4.19Å; F207-L235 HydrophobicContact CD1-CB 4.23Å; F207-L235 HydrophobicContact CD1-CD2 4.35Å; F207-L235 HydrophobicContact CD2-CD2 4.11Å; F207-L235 HydrophobicContact CE1-CB 3.46Å; F207-L235 VanDerWaalsContact CE1-CB 3.46Å; F207-L235 HydrophobicContact CE1-CD2 4.29Å; F207-L235 HydrophobicContact CE2-CB 4.11Å; F207-L235 HydrophobicContact CE2-CD2 4.03Å; F207-L235 HydrophobicContact CG-CD2 4.27Å; F207-L235 HydrophobicContact CZ-CB 3.4Å; F207-L235 VanDerWaalsContact CZ-CB 3.4Å; F207-L235 HydrophobicContact CZ-CD2 4.14Å; F207-L235 HydrophobicContact CZ-CG 4.3Å; F207-L251 HydrophobicContact CB-CD2 3.92Å; F207-L251 HydrophobicContact CD1-CD2 3.97Å; F207-L251 HydrophobicContact CD1-CG 3.99Å; F207-L251 HydrophobicContact CG-CD2 4.24Å; F207-P253 HydrophobicContact CD1-CB 4.37Å; F207-P253 HydrophobicContact CE1-CB 3.8Å; F207-P253 HydrophobicContact CZ-CB 4.31Å |
| 208 | A | 97.7 | Very high | 97.2 | Very high | 17 Ų | 17 | 53.7 Ų | 53.7 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 119.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R210 Y211 | A208-R210 PolarHBondContact O-N 3.18Å; A208-Y211 HydrophobicContact CB-CD2 3.87Å; A208-Y211 HydrophobicContact CB-CE2 4.48Å; A208-Y211 PolarHBondContact O-N 2.91Å |
| 209 | L | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -26.4 | -179.5 | -85.9 | 162.4 | 0 | 0 | 0 | 112.9 | C148 L151 G155 D156 V158 A171 F207 Y211 L212 N213 | C148-L209 HydrophobicContact CB-CD2 4.32Å; L151-L209 HydrophobicContact CB-CD1 3.95Å; L151-L209 HydrophobicContact CB-CD2 4.28Å; G155-L209 VanDerWaalsContact O-CD1 3.23Å; G155-L209 WeakPolarHBondContact O-CD1 3.19Å; D156-L209 PolarHBondContact O-N 3.38Å; V158-L209 HydrophobicContact CB-CD1 4.05Å; V158-L209 HydrophobicContact CB-CD2 3.82Å; V158-L209 HydrophobicContact CB-CG 3.79Å; V158-L209 HydrophobicContact CG1-CD2 3.75Å; V158-L209 HydrophobicContact CG1-CG 3.88Å; A171-L209 HydrophobicContact CB-CD1 4.3Å; F207-L209 PolarHBondContact O-N 3.12Å; L209-Y211 VanDerWaalsContact C-N 3.35Å; L209-Y211 PolarHBondContact O-N 2.87Å; L209-L212 HydrophobicContact CD2-CD1 4.42Å; L209-L212 PolarHBondContact O-N 2.84Å; L209-N213 WeakPolarHBondContact O-CB 3.33Å; L209-N213 PolarHBondContact O-N 2.95Å; L209-N213 PolarHBondContact O-ND2 2.85Å; L209-N213 VanDerWaalsContact O-ND2 3.16Å |
| 210 | R | 97.4 | Very high | 97.5 | Very high | 180 Ų | 180 | 50.2 Ų | 50.2 | 68% | 0.679 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -55.4 | -46.6 | 174.2 | -179.6 | 176.1 | 172.2 | 176.8 | -4 | 112.3 | A208 N213 F214 | A208-R210 PolarHBondContact O-N 3.18Å; R210-N213 PolarHBondContact O-N 3.13Å; R210-F214 HydrophobicContact CG-CE2 3.9Å; R210-F214 HydrophobicContact CG-CZ 4.09Å; R210-F214 PolarHBondContact O-N 2.88Å |
| 211 | Y | 98.2 | Very high | 97.7 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.3 | -42.3 | 179.5 | -74 | -79.7 | 0 | 0 | 0 | 111.7 | L22 D41 S43 V45 A208 L209 N213 F214 F215 L251 | L22-Y211 HydrophobicContact CD1-CD1 3.85Å; L22-Y211 HydrophobicContact CD1-CE1 4.11Å; D41-Y211 PolarHBondContact OD2-OH 2.82Å; S43-Y211 WeakPolarHBondContact CB-OH 3.32Å; S43-Y211 PolarHBondContact OG-OH 2.79Å; V45-Y211 HydrophobicContact CB-CE1 4.47Å; V45-Y211 HydrophobicContact CB-CE2 4.11Å; V45-Y211 HydrophobicContact CG1-CD2 4.29Å; V45-Y211 HydrophobicContact CG1-CE2 3.76Å; A208-Y211 HydrophobicContact CB-CD2 3.87Å; A208-Y211 HydrophobicContact CB-CE2 4.48Å; A208-Y211 PolarHBondContact O-N 2.91Å; L209-Y211 VanDerWaalsContact C-N 3.35Å; L209-Y211 PolarHBondContact O-N 2.87Å; Y211-N213 PolarHBondContact O-N 3.35Å; Y211-F214 HydrophobicContact CD1-CD2 4.35Å; Y211-F214 WeakPolarHBondContact O-CA 3.3Å; Y211-F214 WeakPolarHBondContact O-CB 3.35Å; Y211-F214 PolarHBondContact O-N 2.92Å; Y211-F215 VanDerWaalsContact O-CD1 3.23Å; Y211-F215 WeakPolarHBondContact O-CD1 3.44Å; Y211-F215 WeakPolarHBondContact O-CG 3.48Å; Y211-F215 PolarHBondContact O-N 3.15Å; Y211-L251 HydrophobicContact CD1-CD1 4.34Å; Y211-L251 HydrophobicContact CD2-CD1 3.91Å; Y211-L251 HydrophobicContact CG-CD1 3.72Å |
| 212 | L | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.9 | -38.1 | 176.5 | -61.5 | -178.8 | 0 | 0 | 0 | 111.7 | F144 C148 V158 I160 F207 L209 F214 F215 T216 L235 V237 L251 | F144-L212 HydrophobicContact CZ-CD2 4.35Å; C148-L212 HydrophobicContact CB-CB 4.43Å; V158-L212 HydrophobicContact CG1-CD1 3.44Å; V158-L212 VanDerWaalsContact CG1-CD1 3.44Å; I160-L212 HydrophobicContact CD1-CD1 4.42Å; F207-L212 HydrophobicContact CB-CD1 4.19Å; L209-L212 HydrophobicContact CD2-CD1 4.42Å; L209-L212 PolarHBondContact O-N 2.84Å; L212-F214 VanDerWaalsContact C-N 3.29Å; L212-F214 PolarHBondContact O-N 2.9Å; L212-F215 HydrophobicContact CD2-CD2 3.93Å; L212-F215 HydrophobicContact CD2-CE2 4.1Å; L212-F215 PolarHBondContact O-N 2.87Å; L212-F215 VanDerWaalsContact O-N 3.16Å; L212-T216 VanDerWaalsContact O-CG2 3.23Å; L212-T216 WeakPolarHBondContact O-CG2 3.31Å; L212-T216 PolarHBondContact O-N 2.73Å; L212-L235 HydrophobicContact CD2-CD2 3.88Å; L212-V237 HydrophobicContact CD2-CG2 4.44Å; L212-L251 HydrophobicContact CD2-CD2 3.64Å; L212-L251 HydrophobicContact CG-CD2 4.04Å |
| 213 | N | 98.4 | Very high | 97.8 | Very high | 38 Ų | 38 | 38.2 Ų | 38.2 | 20% | 0.203 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.6 | -23.7 | 172.7 | -80.2 | -45.7 | 0 | 0 | 0 | 114 | C148 R149 S152 L209 R210 Y211 T216 | C148-N213 WeakPolarHBondContact CB-OD1 3.29Å; C148-N213 PolarHBondContact O-ND2 2.92Å; R149-N213 PolarHBondContact N-OD1 2.98Å; S152-N213 VanDerWaalsContact CB-ND2 3.34Å; S152-N213 WeakPolarHBondContact CB-ND2 3.2Å; S152-N213 PolarHBondContact OG-ND2 3.42Å; L209-N213 WeakPolarHBondContact O-CB 3.33Å; L209-N213 PolarHBondContact O-N 2.95Å; L209-N213 PolarHBondContact O-ND2 2.85Å; L209-N213 VanDerWaalsContact O-ND2 3.16Å; R210-N213 PolarHBondContact O-N 3.13Å; Y211-N213 PolarHBondContact O-N 3.35Å; N213-T216 PolarHBondContact O-OG1 2.95Å; N213-T216 VanDerWaalsContact O-OG1 3.1Å |
| 214 | F | 97.6 | Very high | 97.9 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 19% | 0.193 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.4 | -43.8 | 167.1 | -64.1 | -37.8 | 0 | 0 | 0 | 111.1 | D21 L22 R210 Y211 L212 T216 K217 | D21-F214 HydrophobicContact CB-CD1 4.42Å; L22-F214 HydrophobicContact CD1-CD2 4.11Å; R210-F214 HydrophobicContact CG-CE2 3.9Å; R210-F214 HydrophobicContact CG-CZ 4.09Å; R210-F214 PolarHBondContact O-N 2.88Å; Y211-F214 HydrophobicContact CD1-CD2 4.35Å; Y211-F214 WeakPolarHBondContact O-CA 3.3Å; Y211-F214 WeakPolarHBondContact O-CB 3.35Å; Y211-F214 PolarHBondContact O-N 2.92Å; L212-F214 VanDerWaalsContact C-N 3.29Å; L212-F214 PolarHBondContact O-N 2.9Å; F214-T216 VanDerWaalsContact C-N 3.29Å; F214-T216 PolarHBondContact O-N 2.74Å; F214-K217 VanDerWaalsContact O-CB 3.28Å; F214-K217 WeakPolarHBondContact O-CB 3.37Å; F214-K217 WeakPolarHBondContact O-CG 3.44Å; F214-K217 PolarHBondContact O-N 2.92Å; F214-K217 VanDerWaalsContact O-N 3.15Å |
| 215 | F | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -34.8 | -178.9 | -55.5 | -12 | 0 | 0 | 0 | 112.2 | L22 S46 Y211 L212 K217 A218 V237 Y249 L251 | L22-F215 HydrophobicContact CD1-CE1 4.26Å; L22-F215 HydrophobicContact CD2-CD1 4.31Å; L22-F215 HydrophobicContact CD2-CE1 3.87Å; S46-F215 WeakPolarHBondContact OG-CE1 3.36Å; S46-F215 WeakPolarHBondContact OG-CZ 3.29Å; Y211-F215 VanDerWaalsContact O-CD1 3.23Å; Y211-F215 WeakPolarHBondContact O-CD1 3.44Å; Y211-F215 WeakPolarHBondContact O-CG 3.48Å; Y211-F215 PolarHBondContact O-N 3.15Å; L212-F215 HydrophobicContact CD2-CD2 3.93Å; L212-F215 HydrophobicContact CD2-CE2 4.1Å; L212-F215 PolarHBondContact O-N 2.87Å; L212-F215 VanDerWaalsContact O-N 3.16Å; F215-K217 PolarHBondContact O-N 2.65Å; F215-A218 VanDerWaalsContact O-CB 3.24Å; F215-A218 WeakPolarHBondContact O-CB 3.33Å; F215-A218 PolarHBondContact O-N 3.35Å; F215-V237 HydrophobicContact CD2-CB 4.13Å; F215-V237 HydrophobicContact CD2-CG2 3.84Å; F215-V237 HydrophobicContact CE2-CG2 4.27Å; F215-Y249 HydrophobicContact CB-CD2 3.77Å; F215-Y249 HydrophobicContact CB-CE2 3.97Å; F215-Y249 HydrophobicContact CB-CG 4.04Å; F215-Y249 AromaticContact CD1-CD1 3.32Å; F215-Y249 HydrophobicContact CD1-CD1 3.32Å; F215-Y249 HydrophobicContact CD1-CD2 4.08Å; F215-Y249 AromaticContact CD1-CE1 3.81Å; F215-Y249 HydrophobicContact CD1-CE1 3.81Å; F215-Y249 HydrophobicContact CD1-CE2 4.5Å; F215-Y249 AromaticContact CD1-CG 3.45Å; F215-Y249 HydrophobicContact CD1-CG 3.45Å; F215-Y249 VanDerWaalsContact CD1-CG 3.45Å; F215-Y249 HydrophobicContact CD2-CD2 4.37Å; F215-Y249 HydrophobicContact CD2-CG 4.01Å; F215-Y249 AromaticContact CE1-CD1 3.63Å; F215-Y249 HydrophobicContact CE1-CD1 3.63Å; F215-Y249 HydrophobicContact CE1-CE1 4.41Å; F215-Y249 AromaticContact CE1-CG 3.87Å; F215-Y249 HydrophobicContact CE1-CG 3.87Å; F215-Y249 HydrophobicContact CE2-CG 4.35Å; F215-Y249 AromaticContact CG-CD1 3.94Å; F215-Y249 HydrophobicContact CG-CD1 3.94Å; F215-Y249 AromaticContact CG-CD2 3.83Å; F215-Y249 HydrophobicContact CG-CD2 3.83Å; F215-Y249 HydrophobicContact CG-CE1 4.47Å; F215-Y249 HydrophobicContact CG-CE2 4.38Å; F215-Y249 AromaticContact CG-CG 3.56Å; F215-Y249 HydrophobicContact CG-CG 3.56Å; F215-Y249 HydrophobicContact CZ-CD1 4.42Å; F215-Y249 HydrophobicContact CZ-CG 4.31Å; F215-L251 HydrophobicContact CE2-CB 3.76Å; F215-L251 HydrophobicContact CE2-CD2 3.99Å; F215-L251 HydrophobicContact CE2-CG 4.37Å; F215-L251 HydrophobicContact CZ-CB 3.96Å; F215-L251 HydrophobicContact CZ-CD1 4.31Å; F215-L251 HydrophobicContact CZ-CD2 4.35Å; F215-L251 HydrophobicContact CZ-CG 4.45Å |
| 216 | T | 98.6 | Very high | 98.1 | Very high | 19 Ų | 19 | 32 Ų | 32 | 12% | 0.117 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -66.5 | -8.4 | 179.1 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | F144 A145 C148 L212 N213 F214 A218 T219 | F144-T216 HydrophobicContact CD1-CG2 3.75Å; F144-T216 HydrophobicContact CE1-CG2 3.77Å; A145-T216 HydrophobicContact CB-CG2 4.04Å; C148-T216 HydrophobicContact CB-CG2 4.19Å; L212-T216 VanDerWaalsContact O-CG2 3.23Å; L212-T216 WeakPolarHBondContact O-CG2 3.31Å; L212-T216 PolarHBondContact O-N 2.73Å; N213-T216 PolarHBondContact O-OG1 2.95Å; N213-T216 VanDerWaalsContact O-OG1 3.1Å; F214-T216 VanDerWaalsContact C-N 3.29Å; F214-T216 PolarHBondContact O-N 2.74Å; T216-A218 PolarHBondContact O-N 3.32Å; T216-T219 WeakPolarHBondContact O-CB 3.09Å; T216-T219 PolarHBondContact O-N 2.89Å; T216-T219 VanDerWaalsContact O-N 3.08Å; T216-T219 PolarHBondContact O-OG1 2.81Å |
| 217 | K | 98.1 | Very high | 98.1 | Very high | 76 Ų | 76 | 31 Ų | 31 | 33% | 0.33 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -65.5 | -18.3 | 167.1 | -64.3 | -179.1 | 177.9 | 175.3 | 0 | 112.8 | D21 F214 F215 T219 P220 | D21-K217 HydrophobicContact CB-CD 4.47Å; D21-K217 WeakPolarHBondContact OD2-CD 2.9Å; D21-K217 IonicContact OD2-NZ 3.26Å; D21-K217 PolarHBondContact OD2-NZ 2.91Å; F214-K217 VanDerWaalsContact O-CB 3.28Å; F214-K217 WeakPolarHBondContact O-CB 3.37Å; F214-K217 WeakPolarHBondContact O-CG 3.44Å; F214-K217 PolarHBondContact O-N 2.92Å; F214-K217 VanDerWaalsContact O-N 3.15Å; F215-K217 PolarHBondContact O-N 2.65Å; K217-T219 VanDerWaalsContact C-N 3.27Å; K217-T219 PolarHBondContact O-N 2.86Å; K217-P220 WeakPolarHBondContact O-CD 3.3Å |
| 218 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -75 | -9.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A18 F215 T216 P220 L221 Y239 L247 Y249 | A18-A218 HydrophobicContact CB-CB 3.89Å; F215-A218 VanDerWaalsContact O-CB 3.24Å; F215-A218 WeakPolarHBondContact O-CB 3.33Å; F215-A218 PolarHBondContact O-N 3.35Å; T216-A218 PolarHBondContact O-N 3.32Å; A218-P220 VanDerWaalsContact C-N 3.28Å; A218-P220 VanDerWaalsContact O-N 3.09Å; A218-L221 HydrophobicContact CB-CD1 4.04Å; A218-L221 WeakPolarHBondContact O-CB 3.16Å; A218-L221 PolarHBondContact O-N 3.04Å; A218-Y239 HydrophobicContact CB-CD1 4.01Å; A218-Y239 HydrophobicContact CB-CD2 3.43Å; A218-Y239 VanDerWaalsContact CB-CD2 3.43Å; A218-Y239 HydrophobicContact CB-CE1 4.21Å; A218-Y239 HydrophobicContact CB-CE2 3.66Å; A218-Y239 HydrophobicContact CB-CG 3.61Å; A218-L247 HydrophobicContact CB-CD2 4.02Å; A218-Y249 HydrophobicContact CB-CE2 3.94Å |
| 219 | T | 98.6 | Very high | 98.1 | Very high | 30 Ų | 30 | 30.7 Ų | 30.7 | 18% | 0.184 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -47 | -39.8 | -179.6 | -61.5 | 0 | 0 | 0 | 0 | 114.3 | T216 K217 L221 S222 | T216-T219 WeakPolarHBondContact O-CB 3.09Å; T216-T219 PolarHBondContact O-N 2.89Å; T216-T219 VanDerWaalsContact O-N 3.08Å; T216-T219 PolarHBondContact O-OG1 2.81Å; K217-T219 VanDerWaalsContact C-N 3.27Å; K217-T219 PolarHBondContact O-N 2.86Å; T219-L221 PolarHBondContact O-N 2.97Å; T219-S222 PolarHBondContact O-N 3.46Å |
| 220 | P | 97.5 | Very high | 98 | Very high | 78 Ų | 78 | 31.7 Ų | 31.7 | 51% | 0.506 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -67.8 | -11.1 | 177.3 | -22.3 | 36 | 0 | 0 | 0 | 115.8 | K14 K217 A218 | K14-P220 HydrophobicContact CD-CB 4.16Å; K14-P220 WeakPolarHBondContact CD-O 3.48Å; K14-P220 WeakPolarHBondContact CE-O 3.42Å; K14-P220 HydrophobicContact CG-CB 4.22Å; K14-P220 PolarHBondContact NZ-O 3.3Å; K217-P220 WeakPolarHBondContact O-CD 3.3Å; A218-P220 VanDerWaalsContact C-N 3.28Å; A218-P220 VanDerWaalsContact O-N 3.09Å |
| 221 | L | 97.4 | Very high | 97.8 | Very high | 19 Ų | 19 | 25.6 Ų | 25.6 | 10% | 0.099 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -78.7 | -30 | 177.1 | -67.2 | 167.9 | 0 | 0 | 0 | 112.4 | K14 V15 A18 A218 T219 I241 L247 | K14-L221 HydrophobicContact CB-CD2 3.43Å; K14-L221 VanDerWaalsContact CB-CD2 3.43Å; K14-L221 HydrophobicContact CB-CG 4.02Å; K14-L221 HydrophobicContact CD-CD2 4.29Å; V15-L221 HydrophobicContact CG2-CD1 4.33Å; V15-L221 HydrophobicContact CG2-CD2 3.82Å; A18-L221 HydrophobicContact CB-CD1 4.19Å; A218-L221 HydrophobicContact CB-CD1 4.04Å; A218-L221 WeakPolarHBondContact O-CB 3.16Å; A218-L221 PolarHBondContact O-N 3.04Å; T219-L221 PolarHBondContact O-N 2.97Å; L221-I241 HydrophobicContact CD1-CG1 4.36Å; L221-I241 HydrophobicContact CD2-CG1 4.36Å; L221-I241 HydrophobicContact CD2-CG2 4.47Å; L221-L247 HydrophobicContact CD1-CB 4.46Å; L221-L247 HydrophobicContact CD1-CD2 3.78Å |
| 222 | S | 97.9 | Very high | 97.2 | Very high | 20 Ų | 20 | 32 Ų | 32 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | trans | -148.8 | 139 | -173.9 | -156 | 0 | 0 | 0 | 0 | 111.9 | S141 T219 T224 K240 | S141-S222 VanDerWaalsContact CB-O 3.29Å; S141-S222 WeakPolarHBondContact CB-O 3.46Å; S141-S222 PolarHBondContact OG-O 3.11Å; T219-S222 PolarHBondContact O-N 3.46Å; S222-T224 VanDerWaalsContact CB-O 3.24Å; S222-T224 WeakPolarHBondContact CB-O 3.46Å; S222-T224 PolarHBondContact O-N 3.15Å; S222-T224 PolarHBondContact OG-O 3.32Å; S222-K240 WeakPolarHBondContact CB-O 3.31Å; S222-K240 PolarHBondContact OG-O 3.4Å | ||
| 223 | S | 97.5 | Very high | 97 | Very high | 61 Ų | 61 | 33.4 Ų | 33.4 | 43% | 0.427 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -68.4 | -16.4 | 172.5 | 52.7 | 0 | 0 | 0 | 0 | 113 | P140 S141 E192 | P140-S223 WeakPolarHBondContact CA-O 3.23Å; S141-S223 PolarHBondContact N-O 3.16Å; S141-S223 VanDerWaalsContact OG-C 3.28Å; S141-S223 PolarHBondContact OG-O 3.02Å; E192-S223 WeakPolarHBondContact CB-OG 3.45Å; E192-S223 WeakPolarHBondContact OE2-CB 3.45Å; E192-S223 PolarHBondContact OE2-OG 3.04Å |
| 224 | T | 98.4 | Very high | 96.8 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 9% | 0.086 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 156.1 | 178.8 | 63.1 | 0 | 0 | 0 | 0 | 111.9 | K138 M139 E192 S222 | K138-T224 WeakPolarHBondContact CE-OG1 3.43Å; M139-T224 CarbonylContact O-C 3.45Å; M139-T224 VanDerWaalsContact O-CA 3.28Å; M139-T224 WeakPolarHBondContact O-CA 3.38Å; E192-T224 HydrophobicContact CB-CG2 3.97Å; S222-T224 VanDerWaalsContact CB-O 3.24Å; S222-T224 WeakPolarHBondContact CB-O 3.46Å; S222-T224 PolarHBondContact O-N 3.15Å; S222-T224 PolarHBondContact OG-O 3.32Å |
| 225 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 145.4 | 171.5 | 64.2 | 0 | 0 | 0 | 0 | 108.8 | K138 M139 F144 L227 V237 E238 Y239 | K138-V225 WeakPolarHBondContact CA-O 3.47Å; M139-V225 HydrophobicContact CG-CG1 3.73Å; M139-V225 PolarHBondContact N-O 3.33Å; M139-V225 PolarHBondContact O-N 3Å; F144-V225 HydrophobicContact CB-CG1 3.63Å; F144-V225 HydrophobicContact CD1-CG1 4.04Å; F144-V225 HydrophobicContact CD1-CG2 4.34Å; F144-V225 HydrophobicContact CG-CG1 3.93Å; V225-L227 HydrophobicContact CG2-CD2 4.31Å; V225-V237 HydrophobicContact CG2-CG1 3.57Å; V225-E238 WeakPolarHBondContact CA-O 3.44Å; V225-Y239 HydrophobicContact CB-CD1 4.24Å; V225-Y239 HydrophobicContact CB-CE1 3.78Å; V225-Y239 HydrophobicContact CG2-CD1 4.26Å; V225-Y239 HydrophobicContact CG2-CD2 4.25Å; V225-Y239 HydrophobicContact CG2-CE1 3.79Å; V225-Y239 HydrophobicContact CG2-CE2 3.78Å; V225-Y239 HydrophobicContact CG2-CG 4.47Å |
| 226 | T | 98.8 | Very high | 96.8 | Very high | 24 Ų | 24 | 32.2 Ų | 32.2 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127 | 175 | -52.9 | 0 | 0 | 0 | 0 | 109.9 | V136 V137 V237 E238 | V136-T226 HydrophobicContact CG1-CG2 3.54Å; V137-T226 CarbonylContact O-C 3.54Å; V137-T226 WeakPolarHBondContact O-CA 3.45Å; T226-V237 WeakPolarHBondContact O-CA 3.46Å; T226-E238 PolarHBondContact N-O 3.35Å; T226-E238 PolarHBondContact O-N 2.68Å |
| 227 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.5 | 174.7 | -53.5 | -177.3 | 0 | 0 | 0 | 108.6 | V136 V137 M139 F144 F169 V225 L235 V236 V237 | V136-L227 CarbonylContact C-O 3.51Å; V136-L227 WeakPolarHBondContact CA-O 3.38Å; V137-L227 HydrophobicContact CB-CB 4.41Å; V137-L227 PolarHBondContact N-O 2.58Å; V137-L227 PolarHBondContact O-N 3.44Å; M139-L227 HydrophobicContact CE-CD1 3.92Å; F144-L227 HydrophobicContact CD2-CD1 4.11Å; F144-L227 HydrophobicContact CE1-CD2 4.32Å; F144-L227 HydrophobicContact CE2-CD1 3.78Å; F144-L227 HydrophobicContact CE2-CD2 4.07Å; F144-L227 HydrophobicContact CZ-CD1 4.44Å; F144-L227 HydrophobicContact CZ-CD2 3.92Å; F169-L227 HydrophobicContact CE1-CD1 4.26Å; F169-L227 HydrophobicContact CZ-CD1 4.13Å; V225-L227 HydrophobicContact CG2-CD2 4.31Å; L227-L235 HydrophobicContact CB-CD1 4.11Å; L227-L235 HydrophobicContact CD2-CD1 4.46Å; L227-V236 CarbonylContact C-O 3.58Å; L227-V236 VanDerWaalsContact CA-O 3.31Å; L227-V236 WeakPolarHBondContact CA-O 3.48Å; L227-V237 HydrophobicContact CD2-CB 4.15Å; L227-V237 HydrophobicContact CD2-CG1 3.82Å; L227-V237 HydrophobicContact CD2-CG2 3.74Å |
| 228 | S | 98.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 8% | 0.077 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.1 | 175.7 | -43 | 0 | 0 | 0 | 0 | 109.4 | Y133 C135 V236 | Y133-S228 VanDerWaalsContact CG-CB 3.45Å; C135-S228 WeakPolarHBondContact O-CA 3.48Å; S228-V236 PolarHBondContact N-O 3.15Å; S228-V236 PolarHBondContact O-N 2.94Å |
| 229 | M | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137.6 | -168.6 | -63.1 | 175.5 | -64.3 | 0 | 0 | 110.8 | S134 C135 V137 I160 C162 V203 L235 | S134-M229 PolarHBondContact N-O 3.18Å; C135-M229 HydrophobicContact CB-CB 4.41Å; C135-M229 HydrophobicContact CB-CE 4Å; C135-M229 PolarHBondContact N-O 3.46Å; C135-M229 PolarHBondContact O-N 3.15Å; V137-M229 HydrophobicContact CG2-CE 4.02Å; I160-M229 HydrophobicContact CB-SD 4.24Å; I160-M229 HydrophobicContact CG2-CE 4.18Å; I160-M229 HydrophobicContact CG2-SD 3.6Å; I160-M229 VanDerWaalsContact CG2-SD 3.6Å; C162-M229 HydrophobicContact CB-CE 3.99Å; V203-M229 HydrophobicContact CG1-CB 3.8Å; V203-M229 HydrophobicContact CG1-CE 4.18Å; V203-M229 HydrophobicContact CG1-SD 4.42Å; M229-L235 HydrophobicContact CG-CD1 3.47Å; M229-L235 VanDerWaalsContact CG-CD1 3.47Å; M229-L235 HydrophobicContact SD-CD1 4.23Å |
| 230 | S | 95.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 33.6 Ų | 33.6 | 16% | 0.161 | 20% | 0.199 | C | C | . | . | trans | -150.9 | 157.4 | 168.5 | 174.8 | 0 | 0 | 0 | 0 | 107.9 | S134 L205 V233 | S134-S230 PolarHBondContact OG-OG 3.1Å; L205-S230 WeakPolarHBondContact CD1-O 3.36Å; S230-V233 WeakPolarHBondContact O-CG2 3.37Å | ||
| 231 | A | 91.9 | Very high | 96.9 | Very high | 51 Ų | 51 | 30 Ų | 30 | 42% | 0.421 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 151.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V233 | A231-V233 PolarHBondContact O-N 2.82Š|
| 232 | D | 87.1 | Confident | 96.5 | Very high | 164 Ų | 164 | 31.9 Ų | 31.9 | 88% | 0.877 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 8.8 | 172.5 | -50.4 | -43.5 | 0 | 0 | 0 | 117 | ||
| 233 | V | 92.7 | Very high | 96.2 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -131.4 | 153.7 | 177.6 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | Q131 Y133 S230 A231 | Q131-V233 VanDerWaalsContact NE2-CG2 3.27Å; Y133-V233 HydrophobicContact CE1-CG2 4.49Å; S230-V233 WeakPolarHBondContact O-CG2 3.37Å; A231-V233 PolarHBondContact O-N 2.82Å |
| 234 | P | 95.7 | Very high | 96.1 | Very high | 55 Ų | 55 | 35.6 Ų | 35.6 | 36% | 0.357 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -58.8 | 144.9 | 174.9 | -24.8 | 35.3 | 0 | 0 | 0 | 112.5 | V236 L251 | P234-V236 PolarHBondContact O-N 2.91Å; P234-L251 CarbonylContact C-O 3.6Å; P234-L251 WeakPolarHBondContact CA-O 3.43Å |
| 235 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 132.9 | 164.9 | 163.2 | 69.9 | 0 | 0 | 0 | 109 | I160 F207 L212 L227 M229 V237 Y250 L251 | I160-L235 HydrophobicContact CD1-CD2 4.37Å; F207-L235 HydrophobicContact CD1-CB 4.23Å; F207-L235 HydrophobicContact CD1-CD2 4.35Å; F207-L235 HydrophobicContact CD2-CD2 4.11Å; F207-L235 HydrophobicContact CE1-CB 3.46Å; F207-L235 VanDerWaalsContact CE1-CB 3.46Å; F207-L235 HydrophobicContact CE1-CD2 4.29Å; F207-L235 HydrophobicContact CE2-CB 4.11Å; F207-L235 HydrophobicContact CE2-CD2 4.03Å; F207-L235 HydrophobicContact CG-CD2 4.27Å; F207-L235 HydrophobicContact CZ-CB 3.4Å; F207-L235 VanDerWaalsContact CZ-CB 3.4Å; F207-L235 HydrophobicContact CZ-CD2 4.14Å; F207-L235 HydrophobicContact CZ-CG 4.3Å; L212-L235 HydrophobicContact CD2-CD2 3.88Å; L227-L235 HydrophobicContact CB-CD1 4.11Å; L227-L235 HydrophobicContact CD2-CD1 4.46Å; M229-L235 HydrophobicContact CG-CD1 3.47Å; M229-L235 VanDerWaalsContact CG-CD1 3.47Å; M229-L235 HydrophobicContact SD-CD1 4.23Å; L235-V237 HydrophobicContact CD1-CG2 4.34Å; L235-V237 HydrophobicContact CD2-CG2 3.78Å; L235-V237 HydrophobicContact CG-CG2 3.83Å; L235-Y250 CarbonylContact O-C 3.57Å; L235-Y250 VanDerWaalsContact O-CA 3.26Å; L235-Y250 WeakPolarHBondContact O-CA 3.3Å; L235-L251 PolarHBondContact N-O 3.45Å; L235-L251 PolarHBondContact O-N 2.94Å |
| 236 | V | 98.4 | Very high | 96 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.9 | 169 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | Y133 L227 S228 P234 K248 Y249 Y250 | Y133-V236 HydrophobicContact CE1-CG2 3.91Å; Y133-V236 WeakPolarHBondContact OH-CG2 3.05Å; L227-V236 CarbonylContact C-O 3.58Å; L227-V236 VanDerWaalsContact CA-O 3.31Å; L227-V236 WeakPolarHBondContact CA-O 3.48Å; S228-V236 PolarHBondContact N-O 3.15Å; S228-V236 PolarHBondContact O-N 2.94Å; P234-V236 PolarHBondContact O-N 2.91Å; V236-K248 HydrophobicContact CG1-CB 4.38Å; V236-K248 HydrophobicContact CG1-CD 4.38Å; V236-K248 HydrophobicContact CG1-CG 4.27Å; V236-Y249 CarbonylContact C-O 3.54Å; V236-Y249 VanDerWaalsContact CA-O 3.32Å; V236-Y249 WeakPolarHBondContact CA-O 3.45Å; V236-Y250 HydrophobicContact CG1-CE1 4.33Å; V236-Y250 HydrophobicContact CG2-CD1 3.58Å; V236-Y250 HydrophobicContact CG2-CE1 3.46Å; V236-Y250 VanDerWaalsContact CG2-CE1 3.46Å |
| 237 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 109.2 | 172.5 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | F144 L212 F215 V225 T226 L227 L235 Y239 K248 Y249 | F144-V237 HydrophobicContact CE1-CG1 4.11Å; L212-V237 HydrophobicContact CD2-CG2 4.44Å; F215-V237 HydrophobicContact CD2-CB 4.13Å; F215-V237 HydrophobicContact CD2-CG2 3.84Å; F215-V237 HydrophobicContact CE2-CG2 4.27Å; V225-V237 HydrophobicContact CG2-CG1 3.57Å; T226-V237 WeakPolarHBondContact O-CA 3.46Å; L227-V237 HydrophobicContact CD2-CB 4.15Å; L227-V237 HydrophobicContact CD2-CG1 3.82Å; L227-V237 HydrophobicContact CD2-CG2 3.74Å; L235-V237 HydrophobicContact CD1-CG2 4.34Å; L235-V237 HydrophobicContact CD2-CG2 3.78Å; L235-V237 HydrophobicContact CG-CG2 3.83Å; V237-Y239 HydrophobicContact CG1-CD2 4.36Å; V237-Y239 HydrophobicContact CG1-CE2 3.64Å; V237-K248 WeakPolarHBondContact O-CA 3.46Å; V237-Y249 PolarHBondContact N-O 2.83Å; V237-Y249 PolarHBondContact O-N 2.85Å |
| 238 | E | 98.8 | Very high | 96 | Very high | 34 Ų | 34 | 37.8 Ų | 37.8 | 16% | 0.159 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.7 | -176.5 | -176.6 | -179 | 157.5 | 0 | 0 | 112.2 | V225 T226 H246 L247 K248 | V225-E238 WeakPolarHBondContact CA-O 3.44Å; T226-E238 PolarHBondContact N-O 3.35Å; T226-E238 PolarHBondContact O-N 2.68Å; E238-H246 HydrophobicContact CG-CB 4.23Å; E238-L247 WeakPolarHBondContact CA-O 3.08Å; E238-K248 HydrophobicContact CB-CG 4.01Å; E238-K248 HydrophobicContact CG-CG 3.85Å; E238-K248 WeakPolarHBondContact OE2-CE 3.33Å; E238-K248 IonicContact OE2-NZ 2.63Å |
| 239 | Y | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.2 | 166.2 | -64.8 | -94.6 | 0 | 0 | 0 | 109.2 | A218 V225 V237 H246 L247 Y249 | A218-Y239 HydrophobicContact CB-CD1 4.01Å; A218-Y239 HydrophobicContact CB-CD2 3.43Å; A218-Y239 VanDerWaalsContact CB-CD2 3.43Å; A218-Y239 HydrophobicContact CB-CE1 4.21Å; A218-Y239 HydrophobicContact CB-CE2 3.66Å; A218-Y239 HydrophobicContact CB-CG 3.61Å; V225-Y239 HydrophobicContact CB-CD1 4.24Å; V225-Y239 HydrophobicContact CB-CE1 3.78Å; V225-Y239 HydrophobicContact CG2-CD1 4.26Å; V225-Y239 HydrophobicContact CG2-CD2 4.25Å; V225-Y239 HydrophobicContact CG2-CE1 3.79Å; V225-Y239 HydrophobicContact CG2-CE2 3.78Å; V225-Y239 HydrophobicContact CG2-CG 4.47Å; V237-Y239 HydrophobicContact CG1-CD2 4.36Å; V237-Y239 HydrophobicContact CG1-CE2 3.64Å; Y239-H246 CarbonylContact O-C 3.54Å; Y239-H246 WeakPolarHBondContact O-CA 3.36Å; Y239-L247 PolarHBondContact N-O 2.96Å; Y239-L247 PolarHBondContact O-N 2.91Å; Y239-Y249 HydrophobicContact CD2-CD2 4.38Å; Y239-Y249 HydrophobicContact CD2-CE2 4.07Å; Y239-Y249 HydrophobicContact CE2-CD2 4.4Å; Y239-Y249 HydrophobicContact CE2-CE2 4.17Å |
| 240 | K | 98 | Very high | 96 | Very high | 120 Ų | 120 | 38.3 Ų | 38.3 | 52% | 0.522 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 140.3 | 172.3 | -68.5 | -171.4 | 177.4 | -174.3 | 0 | 110.4 | S222 | S222-K240 WeakPolarHBondContact CB-O 3.31Å; S222-K240 PolarHBondContact OG-O 3.4Å |
| 241 | I | 97.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 89.9 | 175.4 | -56.4 | 174.4 | 0 | 0 | 0 | 107 | I11 V15 L50 L52 L221 D243 M244 G245 L247 | I11-I241 HydrophobicContact CG2-CG2 3.43Å; I11-I241 VanDerWaalsContact CG2-CG2 3.43Å; V15-I241 HydrophobicContact CG2-CD1 3.8Å; L50-I241 HydrophobicContact CD1-CD1 3.48Å; L50-I241 VanDerWaalsContact CD1-CD1 3.48Å; L52-I241 HydrophobicContact CD2-CB 4.47Å; L52-I241 HydrophobicContact CD2-CD1 3.67Å; L52-I241 HydrophobicContact CD2-CG2 4.14Å; L221-I241 HydrophobicContact CD1-CG1 4.36Å; L221-I241 HydrophobicContact CD2-CG1 4.36Å; L221-I241 HydrophobicContact CD2-CG2 4.47Å; I241-D243 PolarHBondContact O-N 3.12Å; I241-M244 HydrophobicContact CB-CG 4.28Å; I241-M244 HydrophobicContact CG2-CG 3.74Å; I241-M244 HydrophobicContact CG2-SD 3.98Å; I241-M244 WeakPolarHBondContact O-CG 3.22Å; I241-M244 PolarHBondContact O-N 2.87Å; I241-G245 PolarHBondContact N-O 3.34Å; I241-G245 PolarHBondContact O-N 3.21Å; I241-G245 VanDerWaalsContact O-N 3.08Å; I241-L247 HydrophobicContact CD1-CB 4.22Å |
| 242 | A | 90.5 | Very high | 96.3 | Very high | 59 Ų | 59 | 36.9 Ų | 36.9 | 49% | 0.488 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.6 | -135 | -172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 243 | D | 91.1 | Very high | 96.7 | Very high | 151 Ų | 151 | 30.8 Ų | 30.8 | 81% | 0.807 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 9.4 | 172.9 | -60.3 | -35.2 | 0 | 0 | 0 | 112.8 | R53 I241 | R53-D243 VanDerWaalsContact NH2-C 3.3Å; R53-D243 PolarHBondContact NH2-O 2.84Å; I241-D243 PolarHBondContact O-N 3.12Å |
| 244 | M | 95.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.034 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -20.6 | -177.7 | 67.9 | 177.5 | -49.2 | 0 | 0 | 113.6 | L6 I11 L52 R53 F57 I241 | L6-M244 HydrophobicContact CD1-CE 3.69Å; L6-M244 HydrophobicContact CD1-SD 3.96Å; I11-M244 HydrophobicContact CD1-SD 3.9Å; I11-M244 HydrophobicContact CG2-SD 3.9Å; L52-M244 HydrophobicContact CB-CE 4.07Å; L52-M244 HydrophobicContact CD2-CE 3.95Å; L52-M244 HydrophobicContact CD2-CG 4.28Å; L52-M244 HydrophobicContact CD2-SD 4.16Å; L52-M244 HydrophobicContact CG-CE 4.42Å; R53-M244 VanDerWaalsContact CB-O 3.27Å; R53-M244 WeakPolarHBondContact CB-O 3.28Å; R53-M244 WeakPolarHBondContact CG-O 3.4Å; R53-M244 PolarHBondContact N-O 2.84Å; F57-M244 HydrophobicContact CD2-CE 4.33Å; F57-M244 HydrophobicContact CE1-CE 4.2Å; F57-M244 HydrophobicContact CE2-CE 3.9Å; F57-M244 HydrophobicContact CZ-CE 3.84Å; I241-M244 HydrophobicContact CB-CG 4.28Å; I241-M244 HydrophobicContact CG2-CG 3.74Å; I241-M244 HydrophobicContact CG2-SD 3.98Å; I241-M244 WeakPolarHBondContact O-CG 3.22Å; I241-M244 PolarHBondContact O-N 2.87Å |
| 245 | G | 97.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.4 | -164.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | T51 I241 | T51-G245 CarbonylContact O-C 3.54Å; T51-G245 WeakPolarHBondContact O-CA 3.42Å; I241-G245 PolarHBondContact N-O 3.34Å; I241-G245 PolarHBondContact O-N 3.21Å; I241-G245 VanDerWaalsContact O-N 3.08Å |
| 246 | H | 98.3 | Very high | 94.8 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 15% | 0.148 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 157.5 | 173.8 | 58.5 | -104 | 0 | 0 | 0 | 111 | T51 E238 Y239 | T51-H246 PolarHBondContact N-O 2.94Å; T51-H246 PolarHBondContact O-N 3.29Å; T51-H246 PolarHBondContact OG1-NE2 3.17Å; E238-H246 HydrophobicContact CG-CB 4.23Å; Y239-H246 CarbonylContact O-C 3.54Å; Y239-H246 WeakPolarHBondContact O-CA 3.36Å |
| 247 | L | 98.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.2 | 167.4 | 179.5 | 56.8 | 0 | 0 | 0 | 108 | A18 L19 V48 L50 A218 L221 E238 Y239 I241 Y249 | A18-L247 HydrophobicContact CB-CD2 3.73Å; L19-L247 HydrophobicContact CD2-CD1 3.76Å; L19-L247 HydrophobicContact CD2-CD2 4.38Å; V48-L247 HydrophobicContact CG2-CD1 3.43Å; V48-L247 VanDerWaalsContact CG2-CD1 3.43Å; L50-L247 HydrophobicContact CB-CD1 4.15Å; L50-L247 HydrophobicContact CD1-CD1 4.37Å; A218-L247 HydrophobicContact CB-CD2 4.02Å; L221-L247 HydrophobicContact CD1-CB 4.46Å; L221-L247 HydrophobicContact CD1-CD2 3.78Å; E238-L247 WeakPolarHBondContact CA-O 3.08Å; Y239-L247 PolarHBondContact N-O 2.96Å; Y239-L247 PolarHBondContact O-N 2.91Å; I241-L247 HydrophobicContact CD1-CB 4.22Å; L247-Y249 HydrophobicContact CD2-CE2 3.91Å; L247-Y249 VanDerWaalsContact CD2-OH 3.23Å; L247-Y249 WeakPolarHBondContact CD2-OH 3.39Å; L247-Y249 HydrophobicContact CG-CE2 3.8Å |
| 248 | K | 98.4 | Very high | 90.1 | Very high | 48 Ų | 48 | 61.7 Ų | 61.7 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.7 | 178.1 | -73.7 | 175.9 | 179.5 | -176.3 | 0 | 109.8 | V48 Q49 V236 V237 E238 Y250 | V48-K248 WeakPolarHBondContact CA-O 3.43Å; Q49-K248 HydrophobicContact CB-CB 4.38Å; Q49-K248 PolarHBondContact N-O 2.84Å; Q49-K248 PolarHBondContact O-N 2.77Å; V236-K248 HydrophobicContact CG1-CB 4.38Å; V236-K248 HydrophobicContact CG1-CD 4.38Å; V236-K248 HydrophobicContact CG1-CG 4.27Å; V237-K248 WeakPolarHBondContact O-CA 3.46Å; E238-K248 HydrophobicContact CB-CG 4.01Å; E238-K248 HydrophobicContact CG-CG 3.85Å; E238-K248 WeakPolarHBondContact OE2-CE 3.33Å; E238-K248 IonicContact OE2-NZ 2.63Å; K248-Y250 HydrophobicContact CB-CE2 3.89Å |
| 249 | Y | 98.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.2 | 168.4 | -56.1 | -87.1 | 0 | 0 | 0 | 109.1 | A18 L22 L47 V48 F215 A218 V236 V237 Y239 L247 | A18-Y249 WeakPolarHBondContact CB-OH 3.33Å; A18-Y249 PolarHBondContact O-OH 2.82Å; L22-Y249 HydrophobicContact CD2-CD1 3.76Å; L22-Y249 HydrophobicContact CD2-CE1 3.85Å; L47-Y249 CarbonylContact O-C 3.55Å; L47-Y249 WeakPolarHBondContact O-CA 3.4Å; V48-Y249 HydrophobicContact CB-CD1 4.07Å; V48-Y249 HydrophobicContact CB-CE1 4.32Å; V48-Y249 HydrophobicContact CG2-CD1 3.69Å; V48-Y249 HydrophobicContact CG2-CE1 3.63Å; F215-Y249 HydrophobicContact CB-CD2 3.77Å; F215-Y249 HydrophobicContact CB-CE2 3.97Å; F215-Y249 HydrophobicContact CB-CG 4.04Å; F215-Y249 AromaticContact CD1-CD1 3.32Å; F215-Y249 HydrophobicContact CD1-CD1 3.32Å; F215-Y249 HydrophobicContact CD1-CD2 4.08Å; F215-Y249 AromaticContact CD1-CE1 3.81Å; F215-Y249 HydrophobicContact CD1-CE1 3.81Å; F215-Y249 HydrophobicContact CD1-CE2 4.5Å; F215-Y249 AromaticContact CD1-CG 3.45Å; F215-Y249 HydrophobicContact CD1-CG 3.45Å; F215-Y249 VanDerWaalsContact CD1-CG 3.45Å; F215-Y249 HydrophobicContact CD2-CD2 4.37Å; F215-Y249 HydrophobicContact CD2-CG 4.01Å; F215-Y249 AromaticContact CE1-CD1 3.63Å; F215-Y249 HydrophobicContact CE1-CD1 3.63Å; F215-Y249 HydrophobicContact CE1-CE1 4.41Å; F215-Y249 AromaticContact CE1-CG 3.87Å; F215-Y249 HydrophobicContact CE1-CG 3.87Å; F215-Y249 HydrophobicContact CE2-CG 4.35Å; F215-Y249 AromaticContact CG-CD1 3.94Å; F215-Y249 HydrophobicContact CG-CD1 3.94Å; F215-Y249 AromaticContact CG-CD2 3.83Å; F215-Y249 HydrophobicContact CG-CD2 3.83Å; F215-Y249 HydrophobicContact CG-CE1 4.47Å; F215-Y249 HydrophobicContact CG-CE2 4.38Å; F215-Y249 AromaticContact CG-CG 3.56Å; F215-Y249 HydrophobicContact CG-CG 3.56Å; F215-Y249 HydrophobicContact CZ-CD1 4.42Å; F215-Y249 HydrophobicContact CZ-CG 4.31Å; A218-Y249 HydrophobicContact CB-CE2 3.94Å; V236-Y249 CarbonylContact C-O 3.54Å; V236-Y249 VanDerWaalsContact CA-O 3.32Å; V236-Y249 WeakPolarHBondContact CA-O 3.45Å; V237-Y249 PolarHBondContact N-O 2.83Å; V237-Y249 PolarHBondContact O-N 2.85Å; Y239-Y249 HydrophobicContact CD2-CD2 4.38Å; Y239-Y249 HydrophobicContact CD2-CE2 4.07Å; Y239-Y249 HydrophobicContact CE2-CD2 4.4Å; Y239-Y249 HydrophobicContact CE2-CE2 4.17Å; L247-Y249 HydrophobicContact CD2-CE2 3.91Å; L247-Y249 VanDerWaalsContact CD2-OH 3.23Å; L247-Y249 WeakPolarHBondContact CD2-OH 3.39Å; L247-Y249 HydrophobicContact CG-CE2 3.8Å |
| 250 | Y | 97.6 | Very high | 84.2 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 9% | 0.086 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.6 | 172.1 | -56 | -103.7 | 0 | 0 | 0 | 107.5 | S46 L47 Q49 I128 L235 V236 K248 | S46-Y250 WeakPolarHBondContact CA-O 3.43Å; S46-Y250 WeakPolarHBondContact CB-O 3.35Å; S46-Y250 PolarHBondContact OG-O 2.84Å; L47-Y250 HydrophobicContact CB-CD2 4.07Å; L47-Y250 HydrophobicContact CB-CG 4.34Å; L47-Y250 HydrophobicContact CD2-CD2 3.93Å; L47-Y250 HydrophobicContact CD2-CE2 4.37Å; L47-Y250 HydrophobicContact CD2-CG 4.4Å; L47-Y250 HydrophobicContact CG-CD2 4.28Å; L47-Y250 PolarHBondContact N-O 3.41Å; L47-Y250 VanDerWaalsContact N-O 3.08Å; L47-Y250 PolarHBondContact O-N 3.27Å; Q49-Y250 HydrophobicContact CB-CE2 4.11Å; Q49-Y250 PolarHBondContact OE1-OH 2.81Å; I128-Y250 HydrophobicContact CD1-CE2 3.83Å; I128-Y250 HydrophobicContact CG2-CE1 3.86Å; L235-Y250 CarbonylContact O-C 3.57Å; L235-Y250 VanDerWaalsContact O-CA 3.26Å; L235-Y250 WeakPolarHBondContact O-CA 3.3Å; V236-Y250 HydrophobicContact CG1-CE1 4.33Å; V236-Y250 HydrophobicContact CG2-CD1 3.58Å; V236-Y250 HydrophobicContact CG2-CE1 3.46Å; V236-Y250 VanDerWaalsContact CG2-CE1 3.46Å; K248-Y250 HydrophobicContact CB-CE2 3.89Å |
| 251 | L | 97.8 | Very high | 81.2 | Confident | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.005 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 120.5 | 179.3 | -177.8 | 60.9 | 0 | 0 | 0 | 110.5 | V45 F207 Y211 L212 F215 P234 L235 | V45-L251 HydrophobicContact CG1-CD1 3.89Å; F207-L251 HydrophobicContact CB-CD2 3.92Å; F207-L251 HydrophobicContact CD1-CD2 3.97Å; F207-L251 HydrophobicContact CD1-CG 3.99Å; F207-L251 HydrophobicContact CG-CD2 4.24Å; Y211-L251 HydrophobicContact CD1-CD1 4.34Å; Y211-L251 HydrophobicContact CD2-CD1 3.91Å; Y211-L251 HydrophobicContact CG-CD1 3.72Å; L212-L251 HydrophobicContact CD2-CD2 3.64Å; L212-L251 HydrophobicContact CG-CD2 4.04Å; F215-L251 HydrophobicContact CE2-CB 3.76Å; F215-L251 HydrophobicContact CE2-CD2 3.99Å; F215-L251 HydrophobicContact CE2-CG 4.37Å; F215-L251 HydrophobicContact CZ-CB 3.96Å; F215-L251 HydrophobicContact CZ-CD1 4.31Å; F215-L251 HydrophobicContact CZ-CD2 4.35Å; F215-L251 HydrophobicContact CZ-CG 4.45Å; P234-L251 CarbonylContact C-O 3.6Å; P234-L251 WeakPolarHBondContact CA-O 3.43Å; L235-L251 PolarHBondContact N-O 3.45Å; L235-L251 PolarHBondContact O-N 2.94Å |
| 252 | A | 96 | Very high | 80.3 | Confident | 43 Ų | 43 | 80 Ų | 80 | 36% | 0.355 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 135.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V45 | V45-A252 PolarHBondContact O-N 2.97Š|
| 253 | P | 95.9 | Very high | 79.8 | Confident | 36 Ų | 36 | 81.1 Ų | 81.1 | 23% | 0.234 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 151.2 | 172.2 | 29.4 | -33.8 | 0 | 0 | 0 | 110.5 | L205 T206 F207 I255 | L205-P253 HydrophobicContact CB-CB 4.47Å; L205-P253 HydrophobicContact CD2-CB 4.2Å; T206-P253 CarbonylContact O-C 3.59Å; T206-P253 WeakPolarHBondContact O-CA 3.49Å; F207-P253 HydrophobicContact CD1-CB 4.37Å; F207-P253 HydrophobicContact CE1-CB 3.8Å; F207-P253 HydrophobicContact CZ-CB 4.31Å; P253-I255 PolarHBondContact O-N 2.75Å |
| 254 | K | 93.3 | Very high | 79.2 | Confident | 98 Ų | 98 | 77.2 Ų | 77.2 | 43% | 0.426 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -71.6 | 120.4 | 161.9 | -69.9 | -169.5 | 172.8 | -172.2 | 0 | 107.5 | A157 T206 | A157-K254 HydrophobicContact CB-CD 4.2Å; T206-K254 HydrophobicContact CG2-CB 4.08Å; T206-K254 HydrophobicContact CG2-CD 4.32Å; T206-K254 PolarHBondContact O-N 2.84Å |
| 255 | I | 83.3 | Confident | 78.2 | Confident | 150 Ų | 150 | 81.3 Ų | 81.3 | 77% | 0.769 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 123.7 | 168.2 | -55.9 | 171.7 | 0 | 0 | 0 | 105.6 | P253 D257 | P253-I255 PolarHBondContact O-N 2.75Å; I255-D257 PolarHBondContact O-N 3.08Å |
| 256 | E | 69.5 | Low | 77 | Confident | 147 Ų | 147 | 86.1 Ų | 86.1 | 69% | 0.687 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 119.6 | 165.5 | -72 | 179.8 | 179.9 | 0 | 0 | 106 | E258 | E256-E258 PolarHBondContact O-N 3.41Š|
| 257 | D | 53.9 | Low | 75.6 | Confident | 151 Ų | 151 | 89.7 Ų | 89.7 | 81% | 0.807 | 50% | 0.5 | S | S | * | . | trans | -54.6 | 113.1 | 166.9 | -72.9 | -37 | 0 | 0 | 0 | 105.3 | I255 E259 | I255-D257 PolarHBondContact O-N 3.08Å; D257-E259 PolarHBondContact O-N 3.15Å | ||
| 258 | E | 44.7 | Very low | 74 | Confident | 191 Ų | 191 | 96.1 Ų | 96.1 | 89% | 0.893 | 54% | 0.536 | S | S | * | . | trans | -55.2 | 100.6 | 169.1 | -75.4 | -172.7 | 159.8 | 0 | 0 | 105.5 | E256 G260 | E256-E258 PolarHBondContact O-N 3.41Å; E258-G260 PolarHBondContact O-N 3.11Å | ||
| 259 | E | 38.6 | Very low | 72.1 | Confident | 186 Ų | 186 | 99.8 Ų | 99.8 | 87% | 0.869 | 56% | 0.561 | S | S | * | * | trans | -55.1 | 111.4 | 173.4 | -81.2 | -168.5 | 157.1 | 0 | 0 | 105.6 | D257 S261 | D257-E259 PolarHBondContact O-N 3.15Å; E259-S261 PolarHBondContact O-N 2.84Å; E259-S261 VanDerWaalsContact O-N 3.1Å | ||
| 260 | G | 34.7 | Very low | 69.9 | Low | 77 Ų | 77 | 108.2 Ų | 108.2 | 79% | 0.794 | 61% | 0.608 | S | S | * | * | trans | -45.3 | 120.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | E258 | E258-G260 PolarHBondContact O-N 3.11Š| ||
| 261 | S | 33.6 | Very low | 67.4 | Low | 196 Ų | 196 | 116 Ų | 116 | 100% | 1.371 | 66% | 0.655 | S | S | * | * | trans | -66.3 | 0 | 169 | 15.7 | 0 | 0 | 0 | 0 | 111.4 | E259 | E259-S261 PolarHBondContact O-N 2.84Å; E259-S261 VanDerWaalsContact O-N 3.1Å |
Retrieved 261 of 261 residues in 211.6 ms
(Link to these results)