| 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 | 74.9 | Confident | 94 | Very high | 67 Ų | 67 | 11.4 Ų | 11.4 | 33% | 0.33 | 6% | 0.063 | S | C | . | . | 0 | 145.7 | 0 | -100.9 | -145.5 | -81.2 | 0 | 0 | 107.2 | S3 Q304 H305 E377 | M1-S3 PolarHBondContact O-N 2.93Å; M1-Q304 HydrophobicContact CE-CB 3.79Å; M1-Q304 HydrophobicContact CE-CG 4.18Å; M1-Q304 HydrophobicContact CG-CG 4.3Å; M1-Q304 HydrophobicContact SD-CB 3.7Å; M1-Q304 VanDerWaalsContact SD-CD 3.58Å; M1-Q304 HydrophobicContact SD-CG 3.91Å; M1-Q304 PolarHBondContact SD-OE1 3.22Å; M1-Q304 VanDerWaalsContact SD-OE1 3.41Å; M1-H305 WeakPolarHBondContact CE-O 3.5Å; M1-E377 WeakPolarHBondContact CA-OE1 3.31Å; M1-E377 PolarHBondContact N-OE1 2.78Å | |||
| 2 | P | 85.6 | Confident | 94.4 | Very high | 7 Ų | 7 | 10.4 Ų | 10.4 | 5% | 0.045 | 6% | 0.057 | C | C | . | . | trans | -53.6 | 141.1 | 168 | 25.3 | -30.7 | 0 | 0 | 0 | 109.1 | V335 L375 L382 | P2-V335 HydrophobicContact CG-CB 4.47Å; P2-V335 WeakPolarHBondContact CG-O 3.46Å; P2-V335 PolarHBondContact O-N 3.46Å; P2-L375 HydrophobicContact CB-CB 3.9Å; P2-L375 HydrophobicContact CG-CB 3.82Å; P2-L382 HydrophobicContact CB-CD1 3.51Å | ||
| 3 | S | 91.7 | Very high | 94.6 | Very high | 28 Ų | 28 | 9.7 Ų | 9.7 | 20% | 0.196 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 146.3 | -170.3 | 61.9 | 0 | 0 | 0 | 0 | 111.1 | M1 K332 L333 | M1-S3 PolarHBondContact O-N 2.93Å; S3-K332 VanDerWaalsContact CB-CE 3.49Å; S3-K332 WeakPolarHBondContact OG-CE 3.3Å; S3-L333 CarbonylContact C-O 3.53Å; S3-L333 WeakPolarHBondContact CA-O 3.45Å; S3-L333 WeakPolarHBondContact CB-O 3.47Å |
| 4 | L | 94.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 146.4 | 173.6 | -68.3 | 159.7 | 0 | 0 | 0 | 109.6 | D36 L85 L117 I120 K332 L333 V335 L382 | L4-D36 WeakPolarHBondContact CA-OD2 3.26Å; L4-D36 HydrophobicContact CB-CB 4.29Å; L4-D36 HydrophobicContact CD2-CB 3.57Å; L4-L85 HydrophobicContact CD2-CD1 3.78Å; L4-L85 HydrophobicContact CD2-CD2 4.42Å; L4-L117 HydrophobicContact CD1-CD2 3.66Å; L4-L117 HydrophobicContact CD1-CG 3.87Å; L4-I120 HydrophobicContact CD1-CD1 4.22Å; L4-K332 WeakPolarHBondContact O-CA 3.35Å; L4-L333 PolarHBondContact N-O 3.1Å; L4-L333 PolarHBondContact O-N 2.83Å; L4-V335 HydrophobicContact CB-CG2 4.38Å; L4-V335 HydrophobicContact CD1-CG2 3.62Å; L4-V335 HydrophobicContact CG-CG2 3.77Å; L4-L382 HydrophobicContact CD2-CD2 3.7Å; L4-L382 HydrophobicContact CG-CD2 4.39Å |
| 5 | I | 96.1 | Very high | 94.7 | Very high | 22 Ų | 22 | 15.9 Ų | 15.9 | 11% | 0.113 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.6 | 167.7 | -65.5 | 168.6 | 0 | 0 | 0 | 108.6 | P33 P35 D36 V37 V330 F331 | I5-P33 HydrophobicContact CD1-CB 3.79Å; I5-P33 HydrophobicContact CD1-CG 3.8Å; I5-P35 HydrophobicContact CG2-CB 4.29Å; I5-D36 PolarHBondContact N-OD2 3.24Å; I5-D36 WeakPolarHBondContact O-CB 3.23Å; I5-D36 PolarHBondContact O-N 2.87Å; I5-V37 PolarHBondContact O-N 3.05Å; I5-V330 HydrophobicContact CG2-CG1 3.82Å; I5-F331 CarbonylContact C-O 3.53Å; I5-F331 VanDerWaalsContact CA-O 3.32Å; I5-F331 WeakPolarHBondContact CA-O 3.29Å |
| 6 | V | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.9 | -177.9 | 179.5 | 0 | 0 | 0 | 0 | 109 | V37 M122 F124 F167 V330 F331 L333 | V6-V37 HydrophobicContact CG1-CB 4.24Å; V6-V37 HydrophobicContact CG1-CG1 4.28Å; V6-V37 HydrophobicContact CG2-CB 4.09Å; V6-V37 HydrophobicContact CG2-CG2 4.36Å; V6-M122 HydrophobicContact CG2-CE 4.2Å; V6-F124 HydrophobicContact CG1-CE1 3.54Å; V6-F124 HydrophobicContact CG1-CZ 3.64Å; V6-F167 HydrophobicContact CG1-CE2 4.43Å; V6-V330 WeakPolarHBondContact O-CA 3.17Å; V6-F331 PolarHBondContact N-O 2.86Å; V6-F331 PolarHBondContact O-N 2.79Å; V6-L333 HydrophobicContact CB-CD1 4.08Å; V6-L333 HydrophobicContact CB-CG 4.44Å; V6-L333 HydrophobicContact CG2-CD1 3.43Å; V6-L333 VanDerWaalsContact CG2-CD1 3.43Å; V6-L333 HydrophobicContact CG2-CG 3.95Å |
| 7 | H | 98.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.1 | 179.1 | -176.8 | 108.9 | 0 | 0 | 0 | 109.6 | L26 G28 P35 V37 I38 S39 | H7-L26 PolarHBondContact NE2-O 2.86Å; H7-G28 PolarHBondContact CE1-N 3.09Å; H7-P35 HydrophobicContact CB-CB 3.76Å; H7-P35 HydrophobicContact CB-CG 3.49Å; H7-P35 VanDerWaalsContact CB-CG 3.49Å; H7-V37 PolarHBondContact N-O 2.99Å; H7-I38 HydrophobicContact CB-CG1 4.31Å; H7-I38 CarbonylContact O-C 3.58Å; H7-I38 WeakPolarHBondContact O-CA 3.49Å; H7-S39 PolarHBondContact O-N 3.25Å |
| 8 | C | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.6 | 176.8 | -67.7 | 0 | 0 | 0 | 0 | 109.1 | M169 I250 I328 A329 F331 | C8-M169 HydrophobicContact CB-SD 3.54Å; C8-M169 VanDerWaalsContact CB-SD 3.54Å; C8-I250 HydrophobicContact CB-CD1 4.04Å; C8-I250 HydrophobicContact CB-CG2 4.15Å; C8-I328 CarbonylContact O-C 3.58Å; C8-I328 VanDerWaalsContact O-CA 3.26Å; C8-I328 WeakPolarHBondContact O-CA 3.49Å; C8-A329 HydrophobicContact CB-CB 4.31Å; C8-A329 PolarHBondContact N-O 3.1Å; C8-A329 PolarHBondContact O-N 2.72Å; C8-F331 HydrophobicContact CB-CE2 4.23Å |
| 9 | C | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.5 | 178.9 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | L26 S39 V40 A41 V327 I328 | C9-L26 WeakPolarHBondContact SG-CD1 3.08Å; C9-S39 PolarHBondContact N-O 2.86Å; C9-V40 HydrophobicContact CB-CG1 4.48Å; C9-A41 PolarHBondContact O-N 2.79Å; C9-V327 WeakPolarHBondContact CA-O 3.38Å; C9-I328 HydrophobicContact CB-CG2 4.08Å |
| 10 | T | 98.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142 | 167.1 | -164.8 | 0 | 0 | 0 | 0 | 112.3 | A41 Q43 G170 D248 I250 P326 V327 | T10-A41 CarbonylContact C-O 3.5Å; T10-A41 VanDerWaalsContact CA-O 3.24Å; T10-A41 WeakPolarHBondContact CA-O 3.46Å; T10-Q43 PolarHBondContact OG1-NE2 3Å; T10-Q43 PolarHBondContact OG1-OE1 2.85Å; T10-G170 WeakPolarHBondContact OG1-CA 3.49Å; T10-G170 PolarHBondContact OG1-N 2.91Å; T10-D248 HydrophobicContact CG2-CB 4.26Å; T10-I250 HydrophobicContact CG2-CD1 4.39Å; T10-I250 HydrophobicContact CG2-CG1 3.99Å; T10-P326 WeakPolarHBondContact O-CA 3.48Å; T10-V327 HydrophobicContact CG2-CB 4.05Å; T10-V327 PolarHBondContact N-O 2.81Å; T10-V327 PolarHBondContact O-N 3.28Å |
| 11 | W | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 119.8 | 175.7 | -169.4 | 19.3 | 0 | 0 | 0 | 111.6 | V13 L26 A41 L42 Q43 W51 Y319 T321 H324 P326 | W11-V13 HydrophobicContact CD2-CG1 3.9Å; W11-V13 HydrophobicContact CE3-CG1 3.95Å; W11-V13 HydrophobicContact CG-CG1 4.19Å; W11-V13 PolarHBondContact O-N 3.24Å; W11-L26 HydrophobicContact CE3-CD2 4.07Å; W11-L26 HydrophobicContact CZ3-CD2 4.17Å; W11-A41 PolarHBondContact N-O 2.61Å; W11-L42 HydrophobicContact CB-CD2 4.03Å; W11-L42 WeakPolarHBondContact O-CA 3.39Å; W11-Q43 PolarHBondContact O-N 2.71Å; W11-Q43 VanDerWaalsContact O-N 3.09Å; W11-Q43 PolarHBondContact O-OE1 3.36Å; W11-W51 HydrophobicContact CE3-CH2 4.13Å; W11-W51 HydrophobicContact CH2-CH2 4.09Å; W11-W51 AromaticContact CZ3-CH2 3.5Å; W11-W51 HydrophobicContact CZ3-CH2 3.5Å; W11-W51 HydrophobicContact CZ3-CZ2 4.44Å; W11-W51 HydrophobicContact CZ3-CZ3 4.06Å; W11-Y319 HydrophobicContact CH2-CD1 4.39Å; W11-Y319 HydrophobicContact CH2-CG 4.5Å; W11-T321 WeakPolarHBondContact CH2-OG1 3.46Å; W11-T321 WeakPolarHBondContact CZ2-OG1 2.99Å; W11-H324 PolarHBondContact NE1-O 3.28Å; W11-P326 HydrophobicContact CB-CB 4.03Å; W11-P326 HydrophobicContact CB-CG 4.4Å; W11-P326 HydrophobicContact CD2-CB 4.22Å; W11-P326 HydrophobicContact CD2-CG 3.61Å; W11-P326 HydrophobicContact CE3-CG 4.05Å; W11-P326 HydrophobicContact CG-CB 3.92Å; W11-P326 HydrophobicContact CG-CG 3.77Å; W11-P326 HydrophobicContact CZ2-CG 4.29Å |
| 12 | N | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 114.7 | 159.7 | -175.9 | -21.6 | 0 | 0 | 0 | 108.4 | G14 Q43 E44 D171 S322 H324 | N12-G14 VanDerWaalsContact C-N 3.34Å; N12-G14 PolarHBondContact OD1-N 2.78Å; N12-Q43 CarbonylContact C-O 3.47Å; N12-Q43 WeakPolarHBondContact CA-O 3.47Å; N12-Q43 HydrophobicContact CB-CB 4.05Å; N12-Q43 PolarHBondContact OD1-O 3.45Å; N12-E44 PolarHBondContact ND2-OE1 2.77Å; N12-E44 VanDerWaalsContact OD1-CB 3.27Å; N12-E44 WeakPolarHBondContact OD1-CB 3.28Å; N12-E44 VanDerWaalsContact OD1-CG 3.3Å; N12-E44 WeakPolarHBondContact OD1-CG 3.36Å; N12-D171 HydrophobicContact CB-CB 4.21Å; N12-D171 PolarHBondContact ND2-OD2 2.82Å; N12-S322 WeakPolarHBondContact O-CB 3.47Å; N12-S322 PolarHBondContact O-OG 3.19Å; N12-H324 HydrophobicContact CB-CB 4.17Å; N12-H324 PolarHBondContact ND2-NE2 3.07Å; N12-H324 WeakPolarHBondContact O-CB 3.39Å |
| 13 | V | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | trans | -87.2 | -3.5 | -176.1 | -53.4 | 0 | 0 | 0 | 0 | 113 | W11 D15 E16 L42 Q43 E44 V45 W51 | W11-V13 HydrophobicContact CD2-CG1 3.9Å; W11-V13 HydrophobicContact CE3-CG1 3.95Å; W11-V13 HydrophobicContact CG-CG1 4.19Å; W11-V13 PolarHBondContact O-N 3.24Å; V13-D15 PolarHBondContact O-N 2.58Å; V13-E16 VanDerWaalsContact O-CB 3.29Å; V13-E16 WeakPolarHBondContact O-CB 3.47Å; V13-E16 WeakPolarHBondContact O-CG 3.45Å; V13-E16 PolarHBondContact O-N 2.88Å; V13-E16 VanDerWaalsContact O-N 3.08Å; V13-L42 HydrophobicContact CG1-CD2 4.06Å; V13-Q43 PolarHBondContact N-O 2.66Å; V13-E44 WeakPolarHBondContact CG2-O 3.5Å; V13-V45 HydrophobicContact CG2-CG2 4.15Å; V13-W51 HydrophobicContact CB-CZ2 3.93Å; V13-W51 HydrophobicContact CG1-CH2 4.14Å; V13-W51 HydrophobicContact CG1-CZ2 3.7Å; V13-W51 HydrophobicContact CG2-CZ2 4.37Å | ||
| 14 | G | 95.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 45.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N12 E16 K230 | N12-G14 VanDerWaalsContact C-N 3.34Å; N12-G14 PolarHBondContact OD1-N 2.78Å; G14-E16 PolarHBondContact O-N 3.06Å; G14-E16 VanDerWaalsContact O-N 3.16Å; G14-K230 PolarHBondContact O-NZ 2.87Å |
| 15 | D | 94.2 | Very high | 95.2 | Very high | 108 Ų | 108 | 34 Ų | 34 | 58% | 0.578 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 5.9 | -173 | -68.9 | -40.9 | 0 | 0 | 0 | 115.7 | V13 E44 | V13-D15 PolarHBondContact O-N 2.58Å; D15-E44 WeakPolarHBondContact CA-O 3.47Å; D15-E44 PolarHBondContact N-O 3.43Å |
| 16 | E | 94.6 | Very high | 95.3 | Very high | 72 Ų | 72 | 33 Ų | 33 | 34% | 0.336 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -75.3 | 148.2 | 178.6 | -63.3 | -60 | 156 | 0 | 0 | 113.5 | V13 G14 W51 K230 | V13-E16 VanDerWaalsContact O-CB 3.29Å; V13-E16 WeakPolarHBondContact O-CB 3.47Å; V13-E16 WeakPolarHBondContact O-CG 3.45Å; V13-E16 PolarHBondContact O-N 2.88Å; V13-E16 VanDerWaalsContact O-N 3.08Å; G14-E16 PolarHBondContact O-N 3.06Å; G14-E16 VanDerWaalsContact O-N 3.16Å; E16-W51 PolarHBondContact O-NE1 3.11Å; E16-K230 IonicContact OE1-NZ 3.82Å; E16-K230 PolarHBondContact OE1-NZ 3.2Å |
| 17 | K | 93.5 | Very high | 95.3 | Very high | 118 Ų | 118 | 33 Ų | 33 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -82.5 | 153.7 | 168.6 | -67.9 | -161.8 | -179.5 | -153.8 | 0 | 110.9 | G19 D48 | K17-G19 PolarHBondContact O-N 3.46Å; K17-G19 VanDerWaalsContact O-N 3.1Å; K17-D48 WeakPolarHBondContact CE-OD2 3.41Å; K17-D48 IonicContact NZ-OD2 2.8Å; K17-D48 PolarHBondContact NZ-OD2 3.39Å |
| 18 | P | 92.7 | Very high | 95.2 | Very high | 29 Ų | 29 | 33 Ų | 33 | 19% | 0.188 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 116.9 | 175.1 | 25.7 | -33.5 | 0 | 0 | 0 | 110.7 | A50 W51 K54 | P18-A50 HydrophobicContact CG-CB 4.13Å; P18-W51 HydrophobicContact CB-CD2 3.99Å; P18-W51 HydrophobicContact CB-CE3 3.91Å; P18-W51 HydrophobicContact CB-CH2 4Å; P18-W51 HydrophobicContact CB-CZ2 4.08Å; P18-W51 HydrophobicContact CB-CZ3 3.92Å; P18-W51 HydrophobicContact CG-CD2 4.18Å; P18-W51 HydrophobicContact CG-CE3 4.49Å; P18-W51 HydrophobicContact CG-CG 4.36Å; P18-K54 HydrophobicContact CB-CB 3.74Å; P18-K54 HydrophobicContact CB-CD 3.94Å; P18-K54 HydrophobicContact CB-CG 3.56Å; P18-K54 HydrophobicContact CG-CB 3.85Å; P18-K54 HydrophobicContact CG-CG 4.24Å |
| 19 | G | 86.9 | Confident | 95 | Very high | 33 Ų | 33 | 33.3 Ų | 33.3 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | trans | -78.4 | -162.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K17 E21 K54 | K17-G19 PolarHBondContact O-N 3.46Å; K17-G19 VanDerWaalsContact O-N 3.1Å; G19-E21 PolarHBondContact O-N 3.08Å; G19-K54 PolarHBondContact O-NZ 3.38Å | ||
| 20 | S | 88.1 | Confident | 94.7 | Very high | 130 Ų | 130 | 37.3 Ų | 37.3 | 91% | 0.909 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -75.7 | 8.6 | 171.1 | 61 | 0 | 0 | 0 | 0 | 113.9 | ||
| 21 | E | 88.7 | Confident | 94.3 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | trans | -61.9 | 138.8 | 178.4 | -65.5 | 174 | 121.2 | 0 | 0 | 111 | G19 K54 Y319 K320 T321 | G19-E21 PolarHBondContact O-N 3.08Å; E21-K54 WeakPolarHBondContact O-CE 3.17Å; E21-K54 PolarHBondContact O-NZ 2.86Å; E21-Y319 HydrophobicContact CB-CD1 4.25Å; E21-Y319 HydrophobicContact CB-CE1 4.3Å; E21-K320 PolarHBondContact OE1-N 3.14Å; E21-T321 HydrophobicContact CG-CG2 4.49Å; E21-T321 PolarHBondContact OE1-OG1 2.94Å; E21-T321 WeakPolarHBondContact OE2-CG2 2.48Å; E21-T321 PolarHBondContact OE2-OG1 3.1Å | ||
| 22 | D | 93.9 | Very high | 93.8 | Very high | 95 Ų | 95 | 47.8 Ų | 47.8 | 51% | 0.508 | 27% | 0.267 | S | S | . | . | trans | -80.1 | 119.9 | 171.6 | 168.4 | 24.7 | 0 | 0 | 0 | 109.4 | S24 H58 Y319 | D22-S24 VanDerWaalsContact C-N 3.26Å; D22-S24 PolarHBondContact O-N 2.77Å; D22-S24 WeakPolarHBondContact OD1-CB 3.11Å; D22-S24 PolarHBondContact OD1-N 3.14Å; D22-S24 PolarHBondContact OD1-OG 2.81Å; D22-S24 WeakPolarHBondContact OD2-CB 3.33Å; D22-S24 PolarHBondContact OD2-OG 2.96Å; D22-H58 IonicContact OD1-CD2 3.1Å; D22-Y319 VanDerWaalsContact O-CE1 3.23Å; D22-Y319 WeakPolarHBondContact O-CE1 3.43Å; D22-Y319 PolarHBondContact O-OH 2.7Å | ||
| 23 | L | 96.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | trans | -84.5 | 7.2 | -178.6 | -51.5 | -171.5 | 0 | 0 | 0 | 113.6 | S25 L26 L27 W51 K54 L55 H58 Y319 | L23-S25 VanDerWaalsContact C-N 3.34Å; L23-S25 PolarHBondContact O-N 2.8Å; L23-L26 HydrophobicContact CB-CB 4.4Å; L23-L26 HydrophobicContact CB-CD2 4.45Å; L23-L26 HydrophobicContact CD2-CD2 3.95Å; L23-L26 WeakPolarHBondContact O-CB 3.32Å; L23-L26 PolarHBondContact O-N 3.29Å; L23-L26 VanDerWaalsContact O-N 3.15Å; L23-L27 HydrophobicContact CB-CD1 3.56Å; L23-L27 HydrophobicContact CB-CG 3.99Å; L23-L27 HydrophobicContact CD1-CD1 4.35Å; L23-L27 WeakPolarHBondContact O-CB 3.48Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.37Å; L23-L27 PolarHBondContact O-N 3.31Å; L23-W51 HydrophobicContact CD1-CZ3 4.5Å; L23-K54 HydrophobicContact CD1-CG 3.67Å; L23-K54 HydrophobicContact CG-CG 4.47Å; L23-L55 HydrophobicContact CD1-CD2 4.07Å; L23-H58 PolarHBondContact N-CD2 3.11Å; L23-H58 PolarHBondContact N-NE2 2.73Å; L23-Y319 HydrophobicContact CD2-CE1 4.07Å | ||
| 24 | S | 95.7 | Very high | 93.1 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -36.4 | -173.2 | -66 | 0 | 0 | 0 | 0 | 114.9 | D22 G28 V29 N30 | D22-S24 VanDerWaalsContact C-N 3.26Å; D22-S24 PolarHBondContact O-N 2.77Å; D22-S24 WeakPolarHBondContact OD1-CB 3.11Å; D22-S24 PolarHBondContact OD1-N 3.14Å; D22-S24 PolarHBondContact OD1-OG 2.81Å; D22-S24 WeakPolarHBondContact OD2-CB 3.33Å; D22-S24 PolarHBondContact OD2-OG 2.96Å; S24-G28 PolarHBondContact O-N 3.3Å; S24-V29 PolarHBondContact O-N 3.23Å; S24-N30 PolarHBondContact O-OD1 2.78Å |
| 25 | S | 96.1 | Very high | 93.2 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -43.5 | 173 | -74.2 | 0 | 0 | 0 | 0 | 112.2 | L23 L27 G28 N30 E318 | L23-S25 VanDerWaalsContact C-N 3.34Å; L23-S25 PolarHBondContact O-N 2.8Å; S25-L27 PolarHBondContact O-N 2.76Å; S25-G28 PolarHBondContact O-N 3.4Å; S25-N30 PolarHBondContact OG-ND2 3.45Å; S25-E318 WeakPolarHBondContact CB-OE1 3.48Å; S25-E318 PolarHBondContact OG-OE1 2.78Å |
| 26 | L | 97.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -38.3 | 177.2 | -172.4 | 70.5 | 0 | 0 | 0 | 112.3 | H7 C9 W11 L23 L316 Y319 P326 | H7-L26 PolarHBondContact NE2-O 2.86Å; C9-L26 WeakPolarHBondContact SG-CD1 3.08Å; W11-L26 HydrophobicContact CE3-CD2 4.07Å; W11-L26 HydrophobicContact CZ3-CD2 4.17Å; L23-L26 HydrophobicContact CB-CB 4.4Å; L23-L26 HydrophobicContact CB-CD2 4.45Å; L23-L26 HydrophobicContact CD2-CD2 3.95Å; L23-L26 WeakPolarHBondContact O-CB 3.32Å; L23-L26 PolarHBondContact O-N 3.29Å; L23-L26 VanDerWaalsContact O-N 3.15Å; L26-L316 HydrophobicContact CB-CD1 4.37Å; L26-L316 HydrophobicContact CD1-CD1 4.15Å; L26-Y319 HydrophobicContact CB-CE1 4.44Å; L26-Y319 HydrophobicContact CB-CE2 3.94Å; L26-Y319 HydrophobicContact CD1-CE2 4.49Å; L26-Y319 PolarHBondContact N-OH 2.82Å; L26-P326 HydrophobicContact CD1-CB 3.34Å; L26-P326 HydrophobicContact CD1-CG 3.7Å |
| 27 | L | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -1.8 | -174.9 | -57.3 | 172.4 | 0 | 0 | 0 | 113.6 | L23 S25 V29 I38 V40 L55 H58 L59 | L23-L27 HydrophobicContact CB-CD1 3.56Å; L23-L27 HydrophobicContact CB-CG 3.99Å; L23-L27 HydrophobicContact CD1-CD1 4.35Å; L23-L27 WeakPolarHBondContact O-CB 3.48Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.37Å; L23-L27 PolarHBondContact O-N 3.31Å; S25-L27 PolarHBondContact O-N 2.76Å; L27-V29 HydrophobicContact CB-CG1 4.34Å; L27-V29 PolarHBondContact O-N 2.85Å; L27-V29 VanDerWaalsContact O-N 3.07Å; L27-I38 HydrophobicContact CD2-CG2 4.29Å; L27-I38 VanDerWaalsContact O-CD1 3.26Å; L27-I38 WeakPolarHBondContact O-CD1 3.37Å; L27-V40 HydrophobicContact CD2-CG2 3.67Å; L27-L55 HydrophobicContact CD1-CD2 4.14Å; L27-L55 HydrophobicContact CD2-CD2 3.71Å; L27-H58 HydrophobicContact CD1-CB 3.88Å; L27-L59 HydrophobicContact CB-CD2 4.07Å; L27-L59 HydrophobicContact CD1-CD1 4.24Å; L27-L59 HydrophobicContact CD1-CD2 3.86Å; L27-L59 HydrophobicContact CD1-CG 3.9Å; L27-L59 HydrophobicContact CD2-CD1 4.42Å; L27-L59 HydrophobicContact CG-CD2 4.45Å |
| 28 | G | 96.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | trans | 67 | 5.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | H7 S24 S25 N30 S31 P35 | H7-G28 PolarHBondContact CE1-N 3.09Å; S24-G28 PolarHBondContact O-N 3.3Å; S25-G28 PolarHBondContact O-N 3.4Å; G28-N30 PolarHBondContact O-N 2.73Å; G28-S31 WeakPolarHBondContact O-CB 3.27Å; G28-S31 PolarHBondContact O-N 3.06Å; G28-S31 PolarHBondContact O-OG 3.2Å; G28-P35 WeakPolarHBondContact O-CD 3.45Å | ||
| 29 | V | 94.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.2 | -176.8 | -66 | 0 | 0 | 0 | 0 | 113.7 | S24 L27 S31 I38 L59 H62 Y64 | S24-V29 PolarHBondContact O-N 3.23Å; L27-V29 HydrophobicContact CB-CG1 4.34Å; L27-V29 PolarHBondContact O-N 2.85Å; L27-V29 VanDerWaalsContact O-N 3.07Å; V29-S31 VanDerWaalsContact C-N 3.25Å; V29-S31 PolarHBondContact O-N 3.36Å; V29-I38 HydrophobicContact CG1-CD1 3.97Å; V29-L59 HydrophobicContact CG1-CD2 3.57Å; V29-H62 VanDerWaalsContact CB-CD2 3.49Å; V29-H62 WeakPolarHBondContact CB-CD2 3.45Å; V29-H62 HydrophobicContact CG1-CB 4.33Å; V29-Y64 HydrophobicContact CG1-CD2 4.45Å; V29-Y64 HydrophobicContact CG1-CE2 3.65Å |
| 30 | N | 91.7 | Very high | 94.5 | Very high | 85 Ų | 85 | 36.9 Ų | 36.9 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -16.3 | 169.8 | 61 | 9.7 | 0 | 0 | 0 | 113.8 | S24 S25 G28 | S24-N30 PolarHBondContact O-OD1 2.78Å; S25-N30 PolarHBondContact OG-ND2 3.45Å; G28-N30 PolarHBondContact O-N 2.73Å |
| 31 | S | 90.9 | Very high | 95 | Very high | 46 Ų | 46 | 30.7 Ų | 30.7 | 32% | 0.322 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -71.5 | 159.1 | -177.8 | -61.3 | 0 | 0 | 0 | 0 | 113.2 | G28 V29 P33 S34 | G28-S31 WeakPolarHBondContact O-CB 3.27Å; G28-S31 PolarHBondContact O-N 3.06Å; G28-S31 PolarHBondContact O-OG 3.2Å; V29-S31 VanDerWaalsContact C-N 3.25Å; V29-S31 PolarHBondContact O-N 3.36Å; S31-P33 CarbonylContact C-O 3.52Å; S31-P33 CarbonylContact O-C 3.55Å; S31-S34 PolarHBondContact O-N 3.16Å |
| 32 | K | 88.9 | Confident | 95.5 | Very high | 173 Ų | 173 | 28.9 Ų | 28.9 | 75% | 0.752 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -133.4 | 114.9 | 175.1 | -59.4 | -64.4 | 161 | -123.6 | 0 | 110 | ||
| 33 | P | 89.3 | Confident | 95.6 | Very high | 94 Ų | 94 | 24.3 Ų | 24.3 | 61% | 0.61 | 14% | 0.138 | S | C | * | . | S | Bend | cis | -61.9 | 156.6 | -6.6 | -13.6 | 28.7 | 0 | 0 | 0 | 111.7 | I5 S31 | I5-P33 HydrophobicContact CD1-CB 3.79Å; I5-P33 HydrophobicContact CD1-CG 3.8Å; S31-P33 CarbonylContact C-O 3.52Å; S31-P33 CarbonylContact O-C 3.55Å |
| 34 | S | 92 | Very high | 95.6 | Very high | 30 Ų | 30 | 26.7 Ų | 26.7 | 21% | 0.21 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 149.3 | 169.9 | 56 | 0 | 0 | 0 | 0 | 110.2 | S31 K82 | S31-S34 PolarHBondContact O-N 3.16Å; S34-K82 PolarHBondContact O-NZ 3Å |
| 35 | P | 96.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.013 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -53.9 | 151.1 | -179.2 | -25.7 | 33.9 | 0 | 0 | 0 | 113.7 | I5 H7 G28 V37 I38 Y64 K82 | I5-P35 HydrophobicContact CG2-CB 4.29Å; H7-P35 HydrophobicContact CB-CB 3.76Å; H7-P35 HydrophobicContact CB-CG 3.49Å; H7-P35 VanDerWaalsContact CB-CG 3.49Å; G28-P35 WeakPolarHBondContact O-CD 3.45Å; P35-V37 WeakPolarHBondContact CB-O 2.9Å; P35-I38 HydrophobicContact CB-CG1 3.86Å; P35-I38 HydrophobicContact CG-CG1 4.25Å; P35-Y64 VanDerWaalsContact O-CE1 3.32Å; P35-Y64 WeakPolarHBondContact O-CE1 3.19Å; P35-Y64 PolarHBondContact O-OH 3.11Å; P35-K82 WeakPolarHBondContact O-CE 3.4Å; P35-K82 PolarHBondContact O-NZ 3.38Å |
| 36 | D | 95.8 | Very high | 95.3 | Very high | 11 Ų | 11 | 25 Ų | 25 | 6% | 0.059 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -88.9 | -35.9 | 172.5 | -62 | -55.9 | 0 | 0 | 0 | 111.4 | L4 I5 K82 L85 | L4-D36 WeakPolarHBondContact CA-OD2 3.26Å; L4-D36 HydrophobicContact CB-CB 4.29Å; L4-D36 HydrophobicContact CD2-CB 3.57Å; I5-D36 PolarHBondContact N-OD2 3.24Å; I5-D36 WeakPolarHBondContact O-CB 3.23Å; I5-D36 PolarHBondContact O-N 2.87Å; D36-K82 PolarHBondContact O-N 3.38Å; D36-K82 IonicContact OD1-NZ 3.62Å; D36-K82 PolarHBondContact OD1-NZ 3.1Å; D36-L85 HydrophobicContact CB-CD1 3.78Å |
| 37 | V | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138 | 171.5 | 178 | 0 | 0 | 0 | 0 | 108.9 | I5 V6 H7 P35 F80 L81 F115 L117 F124 | I5-V37 PolarHBondContact O-N 3.05Å; V6-V37 HydrophobicContact CG1-CB 4.24Å; V6-V37 HydrophobicContact CG1-CG1 4.28Å; V6-V37 HydrophobicContact CG2-CB 4.09Å; V6-V37 HydrophobicContact CG2-CG2 4.36Å; H7-V37 PolarHBondContact N-O 2.99Å; P35-V37 WeakPolarHBondContact CB-O 2.9Å; V37-F80 WeakPolarHBondContact CA-O 3.18Å; V37-L81 HydrophobicContact CG2-CD1 3.82Å; V37-F115 HydrophobicContact CG1-CZ 3.9Å; V37-F115 HydrophobicContact CG2-CE2 4.43Å; V37-F115 HydrophobicContact CG2-CZ 4.33Å; V37-L117 HydrophobicContact CG2-CD2 3.53Å; V37-F124 HydrophobicContact CG1-CE2 4.27Å; V37-F124 HydrophobicContact CG1-CZ 3.87Å |
| 38 | I | 98.7 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124.4 | 167 | -57.6 | 167.1 | 0 | 0 | 0 | 107.6 | H7 L27 V29 P35 V40 L59 Y64 F80 | H7-I38 HydrophobicContact CB-CG1 4.31Å; H7-I38 CarbonylContact O-C 3.58Å; H7-I38 WeakPolarHBondContact O-CA 3.49Å; L27-I38 HydrophobicContact CD2-CG2 4.29Å; L27-I38 VanDerWaalsContact O-CD1 3.26Å; L27-I38 WeakPolarHBondContact O-CD1 3.37Å; V29-I38 HydrophobicContact CG1-CD1 3.97Å; P35-I38 HydrophobicContact CB-CG1 3.86Å; P35-I38 HydrophobicContact CG-CG1 4.25Å; I38-V40 HydrophobicContact CG2-CG2 3.97Å; I38-L59 HydrophobicContact CD1-CD2 3.62Å; I38-Y64 HydrophobicContact CD1-CD1 4.01Å; I38-Y64 HydrophobicContact CD1-CD2 4.35Å; I38-Y64 HydrophobicContact CD1-CE1 3.54Å; I38-Y64 HydrophobicContact CD1-CE2 3.91Å; I38-Y64 HydrophobicContact CD1-CG 4.39Å; I38-Y64 VanDerWaalsContact CD1-CZ 3.47Å; I38-Y64 HydrophobicContact CG1-CD1 4.45Å; I38-Y64 HydrophobicContact CG1-CE1 3.91Å; I38-F80 HydrophobicContact CB-CB 4.34Å; I38-F80 PolarHBondContact N-O 2.85Å; I38-F80 PolarHBondContact O-N 3.16Å |
| 39 | S | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.8 | 170.9 | -162.5 | 0 | 0 | 0 | 0 | 110.5 | H7 C9 F78 S79 F124 | H7-S39 PolarHBondContact O-N 3.25Å; C9-S39 PolarHBondContact N-O 2.86Å; S39-F78 CarbonylContact C-O 3.6Å; S39-F78 WeakPolarHBondContact CA-O 3.31Å; S39-S79 PolarHBondContact OG-OG 2.9Å; S39-F124 WeakPolarHBondContact OG-CB 3.43Å; S39-F124 WeakPolarHBondContact OG-CG 3.45Å |
| 40 | V | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 113.2 | -175 | -170.4 | 0 | 0 | 0 | 0 | 108.9 | C9 L27 I38 L42 L55 I77 F78 | C9-V40 HydrophobicContact CB-CG1 4.48Å; L27-V40 HydrophobicContact CD2-CG2 3.67Å; I38-V40 HydrophobicContact CG2-CG2 3.97Å; V40-L42 HydrophobicContact CG1-CD2 3.81Å; V40-L42 HydrophobicContact CG1-CG 4.02Å; V40-L55 HydrophobicContact CG1-CD1 4.46Å; V40-L55 HydrophobicContact CG1-CD2 4.48Å; V40-L55 HydrophobicContact CG2-CD2 4.38Å; V40-I77 WeakPolarHBondContact O-CA 3.24Å; V40-F78 HydrophobicContact CB-CB 4.48Å; V40-F78 PolarHBondContact N-O 2.88Å; V40-F78 PolarHBondContact O-N 2.84Å |
| 41 | A | 98.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 116.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | C9 T10 W11 Q43 S126 M169 | C9-A41 PolarHBondContact O-N 2.79Å; T10-A41 CarbonylContact C-O 3.5Å; T10-A41 VanDerWaalsContact CA-O 3.24Å; T10-A41 WeakPolarHBondContact CA-O 3.46Å; W11-A41 PolarHBondContact N-O 2.61Å; A41-Q43 PolarHBondContact O-NE2 3.16Å; A41-S126 WeakPolarHBondContact CA-OG 3.1Å; A41-S126 VanDerWaalsContact CB-CB 3.43Å; A41-S126 VanDerWaalsContact CB-OG 3.31Å; A41-S126 WeakPolarHBondContact CB-OG 3.31Å; A41-M169 HydrophobicContact CB-CB 3.87Å; A41-M169 HydrophobicContact CB-CE 4.11Å; A41-M169 HydrophobicContact CB-SD 4.43Å |
| 42 | L | 98.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 146.8 | 175.1 | -57.6 | -176.9 | 0 | 0 | 0 | 111.1 | W11 V13 V40 V45 W51 W76 F78 S126 | W11-L42 HydrophobicContact CB-CD2 4.03Å; W11-L42 WeakPolarHBondContact O-CA 3.39Å; V13-L42 HydrophobicContact CG1-CD2 4.06Å; V40-L42 HydrophobicContact CG1-CD2 3.81Å; V40-L42 HydrophobicContact CG1-CG 4.02Å; L42-V45 HydrophobicContact CB-CG2 3.35Å; L42-V45 HydrophobicContact CD1-CG2 4.06Å; L42-V45 HydrophobicContact CG-CG2 4.36Å; L42-W51 HydrophobicContact CD1-CB 4.08Å; L42-W51 HydrophobicContact CD1-CD2 3.87Å; L42-W51 HydrophobicContact CD1-CE3 3.85Å; L42-W51 HydrophobicContact CD1-CG 3.98Å; L42-W76 HydrophobicContact CB-CB 4.45Å; L42-W76 PolarHBondContact N-O 2.98Å; L42-W76 PolarHBondContact O-N 2.68Å; L42-F78 HydrophobicContact CD1-CE2 4.07Å; L42-F78 HydrophobicContact CG-CE2 4.49Å; L42-S126 PolarHBondContact O-OG 3.08Å |
| 43 | Q | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 152.8 | 175.8 | -56.9 | 80.1 | 48.1 | 0 | 0 | 110 | T10 W11 N12 V13 A41 V45 A74 S126 C127 H128 D171 | T10-Q43 PolarHBondContact OG1-NE2 3Å; T10-Q43 PolarHBondContact OG1-OE1 2.85Å; W11-Q43 PolarHBondContact O-N 2.71Å; W11-Q43 VanDerWaalsContact O-N 3.09Å; W11-Q43 PolarHBondContact O-OE1 3.36Å; N12-Q43 CarbonylContact C-O 3.47Å; N12-Q43 WeakPolarHBondContact CA-O 3.47Å; N12-Q43 HydrophobicContact CB-CB 4.05Å; N12-Q43 PolarHBondContact OD1-O 3.45Å; V13-Q43 PolarHBondContact N-O 2.66Å; A41-Q43 PolarHBondContact O-NE2 3.16Å; Q43-V45 PolarHBondContact O-N 3.5Å; Q43-A74 CarbonylContact C-O 3.37Å; Q43-S126 PolarHBondContact NE2-OG 3.13Å; Q43-S126 VanDerWaalsContact NE2-OG 3.11Å; Q43-C127 WeakPolarHBondContact CG-O 3.47Å; Q43-H128 HydrophobicContact CB-CB 4.37Å; Q43-H128 HydrophobicContact CG-CB 3.95Å; Q43-D171 HydrophobicContact CG-CB 4.25Å |
| 44 | E | 96.4 | Very high | 93.4 | Very high | 52 Ų | 52 | 24.1 Ų | 24.1 | 24% | 0.243 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 53.3 | 39.6 | -172.4 | -53.5 | -175.6 | -159.4 | 0 | 0 | 112.8 | N12 V13 D15 C46 A74 H128 | N12-E44 PolarHBondContact ND2-OE1 2.77Å; N12-E44 VanDerWaalsContact OD1-CB 3.27Å; N12-E44 WeakPolarHBondContact OD1-CB 3.28Å; N12-E44 VanDerWaalsContact OD1-CG 3.3Å; N12-E44 WeakPolarHBondContact OD1-CG 3.36Å; V13-E44 WeakPolarHBondContact CG2-O 3.5Å; D15-E44 WeakPolarHBondContact CA-O 3.47Å; D15-E44 PolarHBondContact N-O 3.43Å; E44-C46 PolarHBondContact O-N 2.77Å; E44-A74 PolarHBondContact N-O 3.1Å; E44-A74 VanDerWaalsContact N-O 3.11Å; E44-H128 IonicContact OE1-CE1 3.68Å; E44-H128 PolarHBondContact OE1-CE1 3.07Å; E44-H128 VanDerWaalsContact OE1-CE1 3.28Å; E44-H128 IonicContact OE1-NE2 3.64Å |
| 45 | V | 95.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | trans | -73.3 | 121.9 | 171.6 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | V13 L42 Q43 W51 A74 W76 | V13-V45 HydrophobicContact CG2-CG2 4.15Å; L42-V45 HydrophobicContact CB-CG2 3.35Å; L42-V45 HydrophobicContact CD1-CG2 4.06Å; L42-V45 HydrophobicContact CG-CG2 4.36Å; Q43-V45 PolarHBondContact O-N 3.5Å; V45-W51 HydrophobicContact CG1-CB 4.47Å; V45-W51 HydrophobicContact CG1-CG 4.42Å; V45-A74 PolarHBondContact N-O 2.84Å; V45-A74 WeakPolarHBondContact O-CB 3.4Å; V45-W76 VanDerWaalsContact CB-CD1 3.41Å; V45-W76 HydrophobicContact CB-CG 4.29Å; V45-W76 HydrophobicContact CG1-CG 4.27Å; V45-W76 HydrophobicContact CG2-CB 4.32Å; V45-W76 HydrophobicContact CG2-CG 4.17Å | ||
| 46 | C | 88.8 | Confident | 93.6 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 14% | 0.135 | 14% | 0.144 | C | C | . | . | trans | -57.5 | 147.5 | 172 | 62.8 | 0 | 0 | 0 | 0 | 111.8 | E44 D48 | E44-C46 PolarHBondContact O-N 2.77Å; C46-D48 PolarHBondContact O-N 2.84Å | ||
| 47 | G | 71.4 | Confident | 93.5 | Very high | 90 Ų | 90 | 26.2 Ų | 26.2 | 93% | 0.928 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -72.7 | 41.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 48 | D | 76.5 | Confident | 93.4 | Very high | 58 Ų | 58 | 28 Ų | 28 | 31% | 0.31 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -131.3 | 169.1 | 171.3 | 65.1 | 23.8 | 0 | 0 | 0 | 113 | K17 C46 A50 | K17-D48 WeakPolarHBondContact CE-OD2 3.41Å; K17-D48 IonicContact NZ-OD2 2.8Å; K17-D48 PolarHBondContact NZ-OD2 3.39Å; C46-D48 PolarHBondContact O-N 2.84Å; D48-A50 PolarHBondContact O-N 3.12Å; D48-A50 WeakPolarHBondContact OD1-CB 3.39Å; D48-A50 PolarHBondContact OD1-N 3.26Å; D48-A50 VanDerWaalsContact OD1-N 3.16Å |
| 49 | D | 88.2 | Confident | 93.2 | Very high | 78 Ų | 78 | 28 Ų | 28 | 42% | 0.417 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -75 | 7.1 | 179.3 | -100.2 | -38.3 | 0 | 0 | 0 | 112.8 | W51 R52 Q53 K447 | D49-W51 PolarHBondContact O-N 2.97Å; D49-R52 WeakPolarHBondContact O-CA 3.43Å; D49-R52 VanDerWaalsContact O-CB 3.31Å; D49-R52 WeakPolarHBondContact O-CB 3.33Å; D49-R52 PolarHBondContact O-N 3.35Å; D49-R52 WeakPolarHBondContact OD1-CD 3.44Å; D49-Q53 PolarHBondContact O-N 3.38Å; D49-K447 IonicContact OD1-NZ 3.73Å; D49-K447 PolarHBondContact OD1-NZ 2.78Å; D49-K447 IonicContact OD2-NZ 2.73Å; D49-K447 PolarHBondContact OD2-NZ 3Å |
| 50 | A | 93.4 | Very high | 93 | Very high | 27 Ų | 27 | 28.2 Ų | 28.2 | 22% | 0.223 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -42 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P18 D48 R52 Q53 K54 | P18-A50 HydrophobicContact CG-CB 4.13Å; D48-A50 PolarHBondContact O-N 3.12Å; D48-A50 WeakPolarHBondContact OD1-CB 3.39Å; D48-A50 PolarHBondContact OD1-N 3.26Å; D48-A50 VanDerWaalsContact OD1-N 3.16Å; A50-R52 VanDerWaalsContact C-N 3.31Å; A50-R52 PolarHBondContact O-N 3.48Å; A50-Q53 PolarHBondContact O-N 2.74Å; A50-K54 WeakPolarHBondContact O-CB 3.45Å; A50-K54 PolarHBondContact O-N 3.35Å |
| 51 | W | 95.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 173.5 | -85 | 103.5 | 0 | 0 | 0 | 112 | W11 V13 E16 P18 L23 L42 V45 D49 K54 L55 | W11-W51 HydrophobicContact CE3-CH2 4.13Å; W11-W51 HydrophobicContact CH2-CH2 4.09Å; W11-W51 AromaticContact CZ3-CH2 3.5Å; W11-W51 HydrophobicContact CZ3-CH2 3.5Å; W11-W51 HydrophobicContact CZ3-CZ2 4.44Å; W11-W51 HydrophobicContact CZ3-CZ3 4.06Å; V13-W51 HydrophobicContact CB-CZ2 3.93Å; V13-W51 HydrophobicContact CG1-CH2 4.14Å; V13-W51 HydrophobicContact CG1-CZ2 3.7Å; V13-W51 HydrophobicContact CG2-CZ2 4.37Å; E16-W51 PolarHBondContact O-NE1 3.11Å; P18-W51 HydrophobicContact CB-CD2 3.99Å; P18-W51 HydrophobicContact CB-CE3 3.91Å; P18-W51 HydrophobicContact CB-CH2 4Å; P18-W51 HydrophobicContact CB-CZ2 4.08Å; P18-W51 HydrophobicContact CB-CZ3 3.92Å; P18-W51 HydrophobicContact CG-CD2 4.18Å; P18-W51 HydrophobicContact CG-CE3 4.49Å; P18-W51 HydrophobicContact CG-CG 4.36Å; L23-W51 HydrophobicContact CD1-CZ3 4.5Å; L42-W51 HydrophobicContact CD1-CB 4.08Å; L42-W51 HydrophobicContact CD1-CD2 3.87Å; L42-W51 HydrophobicContact CD1-CE3 3.85Å; L42-W51 HydrophobicContact CD1-CG 3.98Å; V45-W51 HydrophobicContact CG1-CB 4.47Å; V45-W51 HydrophobicContact CG1-CG 4.42Å; D49-W51 PolarHBondContact O-N 2.97Å; W51-K54 PolarHBondContact O-N 2.83Å; W51-L55 WeakPolarHBondContact O-CB 3.47Å; W51-L55 WeakPolarHBondContact O-CG 3.29Å; W51-L55 PolarHBondContact O-N 3.19Å |
| 52 | R | 95.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 4% | 0.038 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 177.7 | -168 | 176.1 | -173.3 | -76.9 | 2.4 | 111.4 | D49 A50 L56 L66 S69 F78 D444 K447 | D49-R52 WeakPolarHBondContact O-CA 3.43Å; D49-R52 VanDerWaalsContact O-CB 3.31Å; D49-R52 WeakPolarHBondContact O-CB 3.33Å; D49-R52 PolarHBondContact O-N 3.35Å; D49-R52 WeakPolarHBondContact OD1-CD 3.44Å; A50-R52 VanDerWaalsContact C-N 3.31Å; A50-R52 PolarHBondContact O-N 3.48Å; R52-L56 HydrophobicContact CG-CD1 4.45Å; R52-L56 WeakPolarHBondContact O-CD1 3.48Å; R52-L56 WeakPolarHBondContact O-CG 3.31Å; R52-L56 PolarHBondContact O-N 3.31Å; R52-L56 VanDerWaalsContact O-N 3.12Å; R52-L66 HydrophobicContact CG-CD2 4.22Å; R52-L66 VanDerWaalsContact CZ-CD2 3.5Å; R52-S69 PolarHBondContact NE-OG 3.28Å; R52-S69 VanDerWaalsContact NE-OG 3.1Å; R52-S69 PolarHBondContact NH2-OG 3.44Å; R52-F78 HydrophobicContact CB-CE1 3.68Å; R52-F78 HydrophobicContact CB-CZ 4.09Å; R52-F78 HydrophobicContact CG-CD1 4.13Å; R52-F78 HydrophobicContact CG-CE1 3.56Å; R52-F78 HydrophobicContact CG-CZ 4.45Å; R52-D444 IonicContact CZ-OD1 3.8Å; R52-D444 IonicContact CZ-OD2 2.84Å; R52-D444 IonicContact NH1-OD2 3.8Å; R52-D444 PolarHBondContact NH1-OD2 2.94Å; R52-D444 IonicContact NH2-OD1 3.88Å; R52-D444 PolarHBondContact NH2-OD1 3.08Å; R52-D444 IonicContact NH2-OD2 2.96Å; R52-D444 PolarHBondContact NH2-OD2 3.49Å; R52-K447 VanDerWaalsContact CZ-CE 3.46Å |
| 53 | Q | 93.5 | Very high | 92.2 | Very high | 96 Ų | 96 | 35.3 Ų | 35.3 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.1 | -52.5 | 173.8 | 178.6 | 177.4 | -19.9 | 0 | 0 | 111.5 | D49 A50 L55 L56 E57 | D49-Q53 PolarHBondContact O-N 3.38Å; A50-Q53 PolarHBondContact O-N 2.74Å; Q53-L55 VanDerWaalsContact C-N 3.26Å; Q53-L55 PolarHBondContact O-N 2.66Å; Q53-L56 WeakPolarHBondContact O-CB 3.47Å; Q53-L56 PolarHBondContact O-N 2.96Å; Q53-E57 HydrophobicContact CG-CG 4.28Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.15Å; Q53-E57 PolarHBondContact NE2-OE1 3.21Å; Q53-E57 WeakPolarHBondContact O-CG 3.17Å; Q53-E57 PolarHBondContact O-N 3.24Å |
| 54 | K | 94.9 | Very high | 92.1 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 10% | 0.104 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.8 | -41.4 | 179.2 | 177.7 | 81.8 | 174.9 | -174.3 | 0 | 112.3 | P18 G19 E21 L23 A50 W51 H58 | P18-K54 HydrophobicContact CB-CB 3.74Å; P18-K54 HydrophobicContact CB-CD 3.94Å; P18-K54 HydrophobicContact CB-CG 3.56Å; P18-K54 HydrophobicContact CG-CB 3.85Å; P18-K54 HydrophobicContact CG-CG 4.24Å; G19-K54 PolarHBondContact O-NZ 3.38Å; E21-K54 WeakPolarHBondContact O-CE 3.17Å; E21-K54 PolarHBondContact O-NZ 2.86Å; L23-K54 HydrophobicContact CD1-CG 3.67Å; L23-K54 HydrophobicContact CG-CG 4.47Å; A50-K54 WeakPolarHBondContact O-CB 3.45Å; A50-K54 PolarHBondContact O-N 3.35Å; W51-K54 PolarHBondContact O-N 2.83Å; K54-H58 WeakPolarHBondContact CE-CE1 3.19Å; K54-H58 PolarHBondContact O-N 2.84Å; K54-H58 PolarHBondContact O-ND1 2.71Å |
| 55 | L | 97 | Very high | 92.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.8 | -44.6 | 176.6 | -71 | 169.4 | 0 | 0 | 0 | 111.8 | L23 L27 V40 W51 Q53 H58 L59 F78 F80 | L23-L55 HydrophobicContact CD1-CD2 4.07Å; L27-L55 HydrophobicContact CD1-CD2 4.14Å; L27-L55 HydrophobicContact CD2-CD2 3.71Å; V40-L55 HydrophobicContact CG1-CD1 4.46Å; V40-L55 HydrophobicContact CG1-CD2 4.48Å; V40-L55 HydrophobicContact CG2-CD2 4.38Å; W51-L55 WeakPolarHBondContact O-CB 3.47Å; W51-L55 WeakPolarHBondContact O-CG 3.29Å; W51-L55 PolarHBondContact O-N 3.19Å; Q53-L55 VanDerWaalsContact C-N 3.26Å; Q53-L55 PolarHBondContact O-N 2.66Å; L55-H58 PolarHBondContact O-N 2.75Å; L55-L59 VanDerWaalsContact O-CB 3.29Å; L55-L59 WeakPolarHBondContact O-CB 3.49Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 2.88Å; L55-F78 HydrophobicContact CD1-CB 4.35Å; L55-F78 HydrophobicContact CD1-CD1 4.49Å; L55-F78 HydrophobicContact CD1-CD2 3.55Å; L55-F78 HydrophobicContact CD1-CE2 3.87Å; L55-F78 HydrophobicContact CD1-CG 3.89Å; L55-F78 HydrophobicContact CD1-CZ 4.47Å; L55-F80 HydrophobicContact CB-CE2 4.19Å; L55-F80 HydrophobicContact CB-CZ 3.74Å; L55-F80 HydrophobicContact CD1-CE2 4.43Å |
| 56 | L | 95.7 | Very high | 92.3 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 174.8 | -74.6 | 162.2 | 0 | 0 | 0 | 111.9 | R52 Q53 H58 L59 Y60 L66 F80 F393 A443 D444 | R52-L56 HydrophobicContact CG-CD1 4.45Å; R52-L56 WeakPolarHBondContact O-CD1 3.48Å; R52-L56 WeakPolarHBondContact O-CG 3.31Å; R52-L56 PolarHBondContact O-N 3.31Å; R52-L56 VanDerWaalsContact O-N 3.12Å; Q53-L56 WeakPolarHBondContact O-CB 3.47Å; Q53-L56 PolarHBondContact O-N 2.96Å; L56-H58 VanDerWaalsContact C-N 3.29Å; L56-H58 PolarHBondContact O-N 3.19Å; L56-L59 PolarHBondContact O-N 3.14Å; L56-Y60 VanDerWaalsContact O-CB 3.25Å; L56-Y60 WeakPolarHBondContact O-CB 3.43Å; L56-Y60 PolarHBondContact O-N 3.33Å; L56-L66 HydrophobicContact CD2-CB 3.89Å; L56-L66 HydrophobicContact CD2-CD2 4.35Å; L56-F80 HydrophobicContact CD2-CE1 4.04Å; L56-F80 HydrophobicContact CG-CE1 4.44Å; L56-F393 HydrophobicContact CB-CE2 4.03Å; L56-F393 HydrophobicContact CB-CZ 3.64Å; L56-A443 HydrophobicContact CD2-CB 3.95Å; L56-A443 VanDerWaalsContact CD2-O 3.31Å; L56-A443 WeakPolarHBondContact CD2-O 3.43Å; L56-D444 HydrophobicContact CD1-CB 4.37Å; L56-D444 HydrophobicContact CD2-CB 4.06Å |
| 57 | E | 93.5 | Very high | 92.7 | Very high | 73 Ų | 73 | 32 Ų | 32 | 34% | 0.341 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.7 | -38.2 | 177.3 | -73.1 | 170.5 | 173.5 | 0 | 0 | 112.9 | Q53 P61 F393 | Q53-E57 HydrophobicContact CG-CG 4.28Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.15Å; Q53-E57 PolarHBondContact NE2-OE1 3.21Å; Q53-E57 WeakPolarHBondContact O-CG 3.17Å; Q53-E57 PolarHBondContact O-N 3.24Å; E57-P61 WeakPolarHBondContact O-CD 3.39Å; E57-P61 WeakPolarHBondContact O-CG 3.41Å; E57-F393 HydrophobicContact CB-CD1 4.48Å; E57-F393 HydrophobicContact CB-CE1 4.39Å; E57-F393 HydrophobicContact CG-CD1 3.65Å; E57-F393 HydrophobicContact CG-CE1 3.41Å; E57-F393 VanDerWaalsContact CG-CE1 3.41Å; E57-F393 HydrophobicContact CG-CZ 4.37Å |
| 58 | H | 94.4 | Very high | 93.8 | Very high | 37 Ų | 37 | 29.2 Ų | 29.2 | 17% | 0.171 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -79.9 | -33.7 | 178 | -73.7 | 62.5 | 0 | 0 | 0 | 112.7 | D22 L23 L27 K54 L55 L56 H62 | D22-H58 IonicContact OD1-CD2 3.1Å; L23-H58 PolarHBondContact N-CD2 3.11Å; L23-H58 PolarHBondContact N-NE2 2.73Å; L27-H58 HydrophobicContact CD1-CB 3.88Å; K54-H58 WeakPolarHBondContact CE-CE1 3.19Å; K54-H58 PolarHBondContact O-N 2.84Å; K54-H58 PolarHBondContact O-ND1 2.71Å; L55-H58 PolarHBondContact O-N 2.75Å; L56-H58 VanDerWaalsContact C-N 3.29Å; L56-H58 PolarHBondContact O-N 3.19Å; H58-H62 PolarHBondContact O-CD2 2.9Å |
| 59 | L | 96.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -93.9 | -28.8 | -169.5 | -68.7 | 178.6 | 0 | 0 | 0 | 114 | L27 V29 I38 L55 L56 H62 G63 Y64 F80 | L27-L59 HydrophobicContact CB-CD2 4.07Å; L27-L59 HydrophobicContact CD1-CD1 4.24Å; L27-L59 HydrophobicContact CD1-CD2 3.86Å; L27-L59 HydrophobicContact CD1-CG 3.9Å; L27-L59 HydrophobicContact CD2-CD1 4.42Å; L27-L59 HydrophobicContact CG-CD2 4.45Å; V29-L59 HydrophobicContact CG1-CD2 3.57Å; I38-L59 HydrophobicContact CD1-CD2 3.62Å; L55-L59 VanDerWaalsContact O-CB 3.29Å; L55-L59 WeakPolarHBondContact O-CB 3.49Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 2.88Å; L56-L59 PolarHBondContact O-N 3.14Å; L59-H62 PolarHBondContact O-N 2.73Å; L59-G63 PolarHBondContact O-N 2.79Å; L59-Y64 HydrophobicContact CB-CD2 4.39Å; L59-Y64 HydrophobicContact CD2-CD2 4.02Å; L59-Y64 HydrophobicContact CD2-CE2 4.33Å; L59-Y64 WeakPolarHBondContact O-CD2 3.48Å; L59-Y64 PolarHBondContact O-N 3.49Å; L59-F80 HydrophobicContact CB-CD1 4.17Å; L59-F80 HydrophobicContact CB-CE1 4.23Å; L59-F80 HydrophobicContact CD1-CB 4.16Å; L59-F80 HydrophobicContact CD1-CD1 3.51Å; L59-F80 HydrophobicContact CD1-CD2 3.49Å; L59-F80 VanDerWaalsContact CD1-CD2 3.49Å; L59-F80 HydrophobicContact CD1-CE1 3.6Å; L59-F80 HydrophobicContact CD1-CE2 3.59Å; L59-F80 HydrophobicContact CD1-CG 3.46Å; L59-F80 VanDerWaalsContact CD1-CG 3.46Å; L59-F80 HydrophobicContact CD1-CZ 3.66Å; L59-F80 HydrophobicContact CG-CD1 4.48Å |
| 60 | Y | 94.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -47 | 175.9 | 167.8 | -103.5 | 0 | 0 | 0 | 113.5 | L56 H62 G63 P389 S391 F393 L396 E441 A443 | L56-Y60 VanDerWaalsContact O-CB 3.25Å; L56-Y60 WeakPolarHBondContact O-CB 3.43Å; L56-Y60 PolarHBondContact O-N 3.33Å; Y60-H62 PolarHBondContact O-N 3.01Å; Y60-H62 VanDerWaalsContact O-N 3.15Å; Y60-G63 PolarHBondContact O-N 3.32Å; Y60-P389 HydrophobicContact CE1-CB 3.94Å; Y60-S391 PolarHBondContact OH-O 3.1Å; Y60-S391 VanDerWaalsContact OH-O 3.11Å; Y60-F393 HydrophobicContact CD1-CB 3.76Å; Y60-F393 AromaticContact CD1-CD2 3.71Å; Y60-F393 HydrophobicContact CD1-CD2 3.71Å; Y60-F393 HydrophobicContact CD1-CG 4.15Å; Y60-F393 HydrophobicContact CE1-CB 4.09Å; Y60-F393 HydrophobicContact CE1-CD2 4.42Å; Y60-F393 AromaticContact CG-CD2 3.78Å; Y60-F393 HydrophobicContact CG-CD2 3.78Å; Y60-L396 HydrophobicContact CD2-CD2 4.43Å; Y60-L396 HydrophobicContact CE2-CD2 4.32Å; Y60-E441 HydrophobicContact CE2-CB 4.17Å; Y60-E441 WeakPolarHBondContact CE2-O 3.25Å; Y60-A443 HydrophobicContact CD2-CB 3.8Å; Y60-A443 HydrophobicContact CG-CB 4.2Å |
| 61 | P | 92.4 | Very high | 95.2 | Very high | 56 Ų | 56 | 29.9 Ų | 29.9 | 36% | 0.364 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.2 | 178.9 | -24.7 | 35.8 | 0 | 0 | 0 | 114 | E57 G63 | E57-P61 WeakPolarHBondContact O-CD 3.39Å; E57-P61 WeakPolarHBondContact O-CG 3.41Å; P61-G63 VanDerWaalsContact C-N 3.34Å |
| 62 | H | 92.8 | Very high | 95 | Very high | 91 Ų | 91 | 30.1 Ų | 30.1 | 42% | 0.421 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 2 | 176.4 | -63.1 | -51.5 | 0 | 0 | 0 | 113.9 | V29 H58 L59 Y60 Y64 | V29-H62 VanDerWaalsContact CB-CD2 3.49Å; V29-H62 WeakPolarHBondContact CB-CD2 3.45Å; V29-H62 HydrophobicContact CG1-CB 4.33Å; H58-H62 PolarHBondContact O-CD2 2.9Å; L59-H62 PolarHBondContact O-N 2.73Å; Y60-H62 PolarHBondContact O-N 3.01Å; Y60-H62 VanDerWaalsContact O-N 3.15Å; H62-Y64 HydrophobicContact CB-CD2 3.83Å; H62-Y64 HydrophobicContact CB-CE2 3.71Å |
| 63 | G | 93.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 35 Ų | 35 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 24.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L59 Y60 P61 R83 | L59-G63 PolarHBondContact O-N 2.79Å; Y60-G63 PolarHBondContact O-N 3.32Å; P61-G63 VanDerWaalsContact C-N 3.34Å; G63-R83 WeakPolarHBondContact O-CB 3.4Å; G63-R83 PolarHBondContact O-N 2.67Å |
| 64 | Y | 96.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 160.9 | 169.8 | -59.7 | -94.6 | 0 | 0 | 0 | 111.6 | V29 P35 I38 L59 H62 L81 K82 | V29-Y64 HydrophobicContact CG1-CD2 4.45Å; V29-Y64 HydrophobicContact CG1-CE2 3.65Å; P35-Y64 VanDerWaalsContact O-CE1 3.32Å; P35-Y64 WeakPolarHBondContact O-CE1 3.19Å; P35-Y64 PolarHBondContact O-OH 3.11Å; I38-Y64 HydrophobicContact CD1-CD1 4.01Å; I38-Y64 HydrophobicContact CD1-CD2 4.35Å; I38-Y64 HydrophobicContact CD1-CE1 3.54Å; I38-Y64 HydrophobicContact CD1-CE2 3.91Å; I38-Y64 HydrophobicContact CD1-CG 4.39Å; I38-Y64 VanDerWaalsContact CD1-CZ 3.47Å; I38-Y64 HydrophobicContact CG1-CD1 4.45Å; I38-Y64 HydrophobicContact CG1-CE1 3.91Å; L59-Y64 HydrophobicContact CB-CD2 4.39Å; L59-Y64 HydrophobicContact CD2-CD2 4.02Å; L59-Y64 HydrophobicContact CD2-CE2 4.33Å; L59-Y64 WeakPolarHBondContact O-CD2 3.48Å; L59-Y64 PolarHBondContact O-N 3.49Å; H62-Y64 HydrophobicContact CB-CD2 3.83Å; H62-Y64 HydrophobicContact CB-CE2 3.71Å; Y64-L81 CarbonylContact C-O 3.6Å; Y64-L81 VanDerWaalsContact CA-O 3.3Å; Y64-L81 WeakPolarHBondContact CA-O 3.48Å; Y64-K82 HydrophobicContact CD1-CG 4.08Å; Y64-K82 HydrophobicContact CE1-CG 3.77Å |
| 65 | V | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.2 | 173.1 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | I67 F80 L81 R83 L86 F442 A443 L445 | V65-I67 PolarHBondContact O-N 3.33Å; V65-I67 VanDerWaalsContact O-N 3.13Å; V65-F80 CarbonylContact O-C 3.55Å; V65-F80 VanDerWaalsContact O-CA 3.29Å; V65-F80 WeakPolarHBondContact O-CA 3.36Å; V65-L81 PolarHBondContact N-O 2.82Å; V65-L81 PolarHBondContact O-N 3.03Å; V65-R83 HydrophobicContact CG2-CB 4.27Å; V65-R83 HydrophobicContact CG2-CG 4.42Å; V65-L86 HydrophobicContact CB-CD2 4.33Å; V65-L86 HydrophobicContact CG1-CD2 4.3Å; V65-L86 HydrophobicContact CG2-CD1 4.09Å; V65-F442 HydrophobicContact CG1-CD2 3.9Å; V65-F442 HydrophobicContact CG1-CE2 3.57Å; V65-F442 HydrophobicContact CG1-CZ 4.4Å; V65-F442 WeakPolarHBondContact CG2-O 3.31Å; V65-A443 CarbonylContact C-O 3.58Å; V65-A443 VanDerWaalsContact CA-O 3.32Å; V65-A443 WeakPolarHBondContact CA-O 3.34Å; V65-L445 HydrophobicContact CG1-CB 4.41Å |
| 66 | L | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 104.9 | 168.3 | 178.9 | 61.4 | 0 | 0 | 0 | 107.9 | R52 L56 K68 F78 F80 A443 D444 L445 | R52-L66 HydrophobicContact CG-CD2 4.22Å; R52-L66 VanDerWaalsContact CZ-CD2 3.5Å; L56-L66 HydrophobicContact CD2-CB 3.89Å; L56-L66 HydrophobicContact CD2-CD2 4.35Å; L66-K68 VanDerWaalsContact CD1-O 3.29Å; L66-K68 WeakPolarHBondContact CD1-O 3.14Å; L66-F78 HydrophobicContact CD1-CB 4Å; L66-F78 HydrophobicContact CD1-CD1 4.29Å; L66-F80 HydrophobicContact CB-CD1 3.82Å; L66-F80 HydrophobicContact CB-CE1 3.59Å; L66-F80 HydrophobicContact CB-CZ 4.22Å; L66-F80 HydrophobicContact CD1-CD1 4.27Å; L66-F80 HydrophobicContact CD1-CD2 4.23Å; L66-F80 HydrophobicContact CD1-CE1 3.99Å; L66-F80 HydrophobicContact CD1-CE2 3.95Å; L66-F80 HydrophobicContact CD1-CG 4.38Å; L66-F80 HydrophobicContact CD1-CZ 3.8Å; L66-F80 HydrophobicContact CG-CE1 4.28Å; L66-F80 HydrophobicContact CG-CZ 4.43Å; L66-A443 PolarHBondContact N-O 3.47Å; L66-D444 HydrophobicContact CB-CB 4.49Å; L66-L445 WeakPolarHBondContact O-CB 3.4Å; L66-L445 PolarHBondContact O-N 3.01Å |
| 67 | I | 97.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -24.6 | 178 | 57 | 161.7 | 0 | 0 | 0 | 111.8 | V65 S79 L81 L86 V89 I92 F115 L445 | V65-I67 PolarHBondContact O-N 3.33Å; V65-I67 VanDerWaalsContact O-N 3.13Å; I67-S79 WeakPolarHBondContact CG1-O 3.42Å; I67-S79 PolarHBondContact N-O 3.45Å; I67-L81 HydrophobicContact CD1-CB 4.05Å; I67-L81 HydrophobicContact CD1-CD2 4.4Å; I67-L81 HydrophobicContact CG1-CB 4.21Å; I67-L81 HydrophobicContact CG2-CB 3.75Å; I67-L81 HydrophobicContact CG2-CD2 4.13Å; I67-L86 HydrophobicContact CG2-CD2 3.91Å; I67-V89 HydrophobicContact CD1-CG2 3.99Å; I67-I92 HydrophobicContact CB-CD1 4.33Å; I67-F115 HydrophobicContact CD1-CD1 3.74Å; I67-F115 HydrophobicContact CD1-CD2 4.33Å; I67-F115 HydrophobicContact CD1-CE1 3.78Å; I67-F115 HydrophobicContact CD1-CE2 4.35Å; I67-F115 HydrophobicContact CD1-CG 4.02Å; I67-F115 HydrophobicContact CD1-CZ 4.08Å; I67-L445 HydrophobicContact CB-CD2 4.3Å; I67-L445 HydrophobicContact CG2-CD2 4.31Å |
| 68 | K | 96.4 | Very high | 95.1 | Very high | 33 Ų | 33 | 27.9 Ų | 27.9 | 14% | 0.143 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 135 | 174.3 | -167.7 | 54.3 | -178.4 | 167.6 | 0 | 114.1 | L66 S79 I92 S94 A113 E446 | L66-K68 VanDerWaalsContact CD1-O 3.29Å; L66-K68 WeakPolarHBondContact CD1-O 3.14Å; K68-S79 PolarHBondContact N-O 2.91Å; K68-S79 PolarHBondContact O-N 3.03Å; K68-I92 HydrophobicContact CB-CG2 3.83Å; K68-I92 HydrophobicContact CD-CG2 3.99Å; K68-I92 HydrophobicContact CG-CG2 4.04Å; K68-S94 WeakPolarHBondContact CE-OG 3.22Å; K68-S94 PolarHBondContact NZ-OG 2.7Å; K68-A113 HydrophobicContact CB-CB 4.35Å; K68-A113 HydrophobicContact CG-CB 4.01Å; K68-E446 WeakPolarHBondContact CD-OE1 3.1Å; K68-E446 IonicContact NZ-OE1 2.91Å; K68-E446 PolarHBondContact NZ-OE1 3.11Å |
| 69 | S | 96.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 26.1 Ų | 26.1 | 10% | 0.098 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 145.9 | 163.6 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | R52 I77 E446 | R52-S69 PolarHBondContact NE-OG 3.28Å; R52-S69 VanDerWaalsContact NE-OG 3.1Å; R52-S69 PolarHBondContact NH2-OG 3.44Å; S69-I77 WeakPolarHBondContact CA-O 3.04Å; S69-E446 WeakPolarHBondContact CA-OE2 3.33Å; S69-E446 WeakPolarHBondContact CB-OE2 3.19Å; S69-E446 PolarHBondContact N-OE2 2.84Å; S69-E446 PolarHBondContact OG-OE2 2.91Å |
| 70 | R | 95.2 | Very high | 95.4 | Very high | 97 Ų | 97 | 26.1 Ų | 26.1 | 37% | 0.366 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 152.4 | 175.6 | -170.6 | 67.2 | 154 | 163 | -3 | 110 | W76 I77 S94 V96 V111 | R70-W76 WeakPolarHBondContact O-CA 3.35Å; R70-I77 HydrophobicContact CB-CG2 4.09Å; R70-I77 PolarHBondContact N-O 3.29Å; R70-I77 PolarHBondContact O-N 2.91Å; R70-S94 WeakPolarHBondContact CD-OG 3.44Å; R70-S94 PolarHBondContact NE-O 3.39Å; R70-S94 PolarHBondContact NE-OG 3.36Å; R70-V96 HydrophobicContact CG-CG2 3.96Å; R70-V111 HydrophobicContact CB-CG1 3.61Å; R70-V111 HydrophobicContact CG-CG1 3.44Å; R70-V111 VanDerWaalsContact CG-CG1 3.44Å |
| 71 | N | 94.1 | Very high | 95.5 | Very high | 65 Ų | 65 | 25.9 Ų | 25.9 | 35% | 0.348 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 160.5 | 175 | 77.8 | -56.3 | 0 | 0 | 0 | 113.3 | W73 I75 W76 | N71-W73 PolarHBondContact ND2-O 3.28Å; N71-I75 CarbonylContact C-O 3.58Å; N71-I75 WeakPolarHBondContact CA-O 3.41Å; N71-I75 VanDerWaalsContact CB-O 3.27Å; N71-I75 WeakPolarHBondContact CB-O 3.25Å; N71-W76 HydrophobicContact CB-CB 4.5Å; N71-W76 HydrophobicContact CB-CD2 3.4Å; N71-W76 VanDerWaalsContact CB-CE2 3.5Å; N71-W76 HydrophobicContact CB-CE3 3.77Å; N71-W76 HydrophobicContact CB-CG 3.71Å; N71-W76 HydrophobicContact CB-CH2 4.35Å; N71-W76 HydrophobicContact CB-CZ2 4Å; N71-W76 HydrophobicContact CB-CZ3 4.23Å |
| 72 | C | 91.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 7% | 0.068 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 105.6 | 165.8 | -176 | 0 | 0 | 0 | 0 | 106.7 | A74 I75 V96 V111 | C72-A74 PolarHBondContact O-N 3.36Å; C72-A74 VanDerWaalsContact O-N 3.14Å; C72-I75 PolarHBondContact N-O 3.38Å; C72-I75 WeakPolarHBondContact O-CB 2.96Å; C72-I75 WeakPolarHBondContact O-CG1 3.39Å; C72-I75 PolarHBondContact O-N 3.01Å; C72-V96 HydrophobicContact CB-CG1 3.57Å; C72-V96 HydrophobicContact CB-CG2 4.36Å; C72-V96 VanDerWaalsContact SG-CG1 3.5Å; C72-V111 HydrophobicContact CB-CG2 3.46Å; C72-V111 VanDerWaalsContact CB-CG2 3.46Å |
| 73 | W | 89.3 | Confident | 95.6 | Very high | 113 Ų | 113 | 21.2 Ų | 21.2 | 43% | 0.428 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | -118.7 | -167 | -55.5 | -67.6 | 0 | 0 | 0 | 111.3 | N71 A98 G106 K108 | N71-W73 PolarHBondContact ND2-O 3.28Å; W73-A98 HydrophobicContact CH2-CB 3.54Å; W73-A98 HydrophobicContact CZ2-CB 4.39Å; W73-A98 HydrophobicContact CZ3-CB 3.74Å; W73-G106 VanDerWaalsContact CD2-O 3.3Å; W73-G106 WeakPolarHBondContact CH2-O 3.08Å; W73-G106 WeakPolarHBondContact CZ2-O 3.41Å; W73-G106 WeakPolarHBondContact CZ3-O 3.48Å; W73-K108 WeakPolarHBondContact CZ3-O 3.04Å |
| 74 | A | 93.3 | Very high | 95.5 | Very high | 23 Ų | 23 | 23.4 Ų | 23.4 | 19% | 0.19 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q43 E44 V45 C72 | Q43-A74 CarbonylContact C-O 3.37Å; E44-A74 PolarHBondContact N-O 3.1Å; E44-A74 VanDerWaalsContact N-O 3.11Å; V45-A74 PolarHBondContact N-O 2.84Å; V45-A74 WeakPolarHBondContact O-CB 3.4Å; C72-A74 PolarHBondContact O-N 3.36Å; C72-A74 VanDerWaalsContact O-N 3.14Å |
| 75 | I | 95.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.1 | 171.5 | -46.6 | 172.6 | 0 | 0 | 0 | 107.6 | N71 C72 V111 S126 H128 | N71-I75 CarbonylContact C-O 3.58Å; N71-I75 WeakPolarHBondContact CA-O 3.41Å; N71-I75 VanDerWaalsContact CB-O 3.27Å; N71-I75 WeakPolarHBondContact CB-O 3.25Å; C72-I75 PolarHBondContact N-O 3.38Å; C72-I75 WeakPolarHBondContact O-CB 2.96Å; C72-I75 WeakPolarHBondContact O-CG1 3.39Å; C72-I75 PolarHBondContact O-N 3.01Å; I75-V111 HydrophobicContact CB-CG2 4.05Å; I75-V111 HydrophobicContact CG2-CG2 3.85Å; I75-S126 VanDerWaalsContact CG2-O 3.32Å; I75-S126 WeakPolarHBondContact CG2-O 3.47Å; I75-H128 HydrophobicContact CD1-CB 3.63Å; I75-H128 HydrophobicContact CG1-CB 3.74Å |
| 76 | W | 97.2 | Very high | 95.1 | Very high | 30 Ų | 30 | 23.7 Ų | 23.7 | 11% | 0.114 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 151 | -178.9 | -74.2 | 72.2 | 0 | 0 | 0 | 111.9 | L42 V45 R70 N71 F78 S126 | L42-W76 HydrophobicContact CB-CB 4.45Å; L42-W76 PolarHBondContact N-O 2.98Å; L42-W76 PolarHBondContact O-N 2.68Å; V45-W76 VanDerWaalsContact CB-CD1 3.41Å; V45-W76 HydrophobicContact CB-CG 4.29Å; V45-W76 HydrophobicContact CG1-CG 4.27Å; V45-W76 HydrophobicContact CG2-CB 4.32Å; V45-W76 HydrophobicContact CG2-CG 4.17Å; R70-W76 WeakPolarHBondContact O-CA 3.35Å; N71-W76 HydrophobicContact CB-CB 4.5Å; N71-W76 HydrophobicContact CB-CD2 3.4Å; N71-W76 VanDerWaalsContact CB-CE2 3.5Å; N71-W76 HydrophobicContact CB-CE3 3.77Å; N71-W76 HydrophobicContact CB-CG 3.71Å; N71-W76 HydrophobicContact CB-CH2 4.35Å; N71-W76 HydrophobicContact CB-CZ2 4Å; N71-W76 HydrophobicContact CB-CZ3 4.23Å; W76-F78 HydrophobicContact CB-CD2 4.48Å; W76-F78 HydrophobicContact CB-CE2 3.72Å; W76-F78 HydrophobicContact CB-CZ 4.05Å; W76-F78 HydrophobicContact CD2-CE2 4.4Å; W76-F78 AromaticContact CD2-CZ 3.82Å; W76-F78 HydrophobicContact CD2-CZ 3.82Å; W76-F78 AromaticContact CE3-CE1 3.56Å; W76-F78 HydrophobicContact CE3-CE1 3.56Å; W76-F78 HydrophobicContact CE3-CE2 4.13Å; W76-F78 AromaticContact CE3-CZ 3.25Å; W76-F78 HydrophobicContact CE3-CZ 3.25Å; W76-F78 HydrophobicContact CG-CE2 4.31Å; W76-F78 HydrophobicContact CG-CZ 4.2Å; W76-F78 AromaticContact CZ3-CE1 3.93Å; W76-F78 HydrophobicContact CZ3-CE1 3.93Å; W76-F78 AromaticContact CZ3-CZ 3.95Å; W76-F78 HydrophobicContact CZ3-CZ 3.95Å; W76-S126 WeakPolarHBondContact O-CB 3.08Å; W76-S126 PolarHBondContact O-OG 3.29Å |
| 77 | I | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 138.3 | 164.6 | -158 | 172.4 | 0 | 0 | 0 | 110.6 | V40 S69 R70 V111 A113 F124 M169 | V40-I77 WeakPolarHBondContact O-CA 3.24Å; S69-I77 WeakPolarHBondContact CA-O 3.04Å; R70-I77 HydrophobicContact CB-CG2 4.09Å; R70-I77 PolarHBondContact N-O 3.29Å; R70-I77 PolarHBondContact O-N 2.91Å; I77-V111 HydrophobicContact CB-CG1 4.44Å; I77-V111 HydrophobicContact CG2-CB 4.41Å; I77-V111 HydrophobicContact CG2-CG1 3.69Å; I77-A113 HydrophobicContact CD1-CB 4.27Å; I77-A113 HydrophobicContact CG2-CB 3.92Å; I77-F124 VanDerWaalsContact CD1-C 3.48Å; I77-F124 HydrophobicContact CD1-CB 3.68Å; I77-F124 VanDerWaalsContact CD1-O 3.23Å; I77-F124 WeakPolarHBondContact CD1-O 3.27Å; I77-M169 HydrophobicContact CD1-CE 4.3Å |
| 78 | F | 98.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 122.1 | 174.9 | -53.2 | -86.4 | 0 | 0 | 0 | 109.3 | S39 V40 L42 R52 L55 L66 W76 F80 | S39-F78 CarbonylContact C-O 3.6Å; S39-F78 WeakPolarHBondContact CA-O 3.31Å; V40-F78 HydrophobicContact CB-CB 4.48Å; V40-F78 PolarHBondContact N-O 2.88Å; V40-F78 PolarHBondContact O-N 2.84Å; L42-F78 HydrophobicContact CD1-CE2 4.07Å; L42-F78 HydrophobicContact CG-CE2 4.49Å; R52-F78 HydrophobicContact CB-CE1 3.68Å; R52-F78 HydrophobicContact CB-CZ 4.09Å; R52-F78 HydrophobicContact CG-CD1 4.13Å; R52-F78 HydrophobicContact CG-CE1 3.56Å; R52-F78 HydrophobicContact CG-CZ 4.45Å; L55-F78 HydrophobicContact CD1-CB 4.35Å; L55-F78 HydrophobicContact CD1-CD1 4.49Å; L55-F78 HydrophobicContact CD1-CD2 3.55Å; L55-F78 HydrophobicContact CD1-CE2 3.87Å; L55-F78 HydrophobicContact CD1-CG 3.89Å; L55-F78 HydrophobicContact CD1-CZ 4.47Å; L66-F78 HydrophobicContact CD1-CB 4Å; L66-F78 HydrophobicContact CD1-CD1 4.29Å; W76-F78 HydrophobicContact CB-CD2 4.48Å; W76-F78 HydrophobicContact CB-CE2 3.72Å; W76-F78 HydrophobicContact CB-CZ 4.05Å; W76-F78 HydrophobicContact CD2-CE2 4.4Å; W76-F78 AromaticContact CD2-CZ 3.82Å; W76-F78 HydrophobicContact CD2-CZ 3.82Å; W76-F78 AromaticContact CE3-CE1 3.56Å; W76-F78 HydrophobicContact CE3-CE1 3.56Å; W76-F78 HydrophobicContact CE3-CE2 4.13Å; W76-F78 AromaticContact CE3-CZ 3.25Å; W76-F78 HydrophobicContact CE3-CZ 3.25Å; W76-F78 HydrophobicContact CG-CE2 4.31Å; W76-F78 HydrophobicContact CG-CZ 4.2Å; W76-F78 AromaticContact CZ3-CE1 3.93Å; W76-F78 HydrophobicContact CZ3-CE1 3.93Å; W76-F78 AromaticContact CZ3-CZ 3.95Å; W76-F78 HydrophobicContact CZ3-CZ 3.95Å; F78-F80 HydrophobicContact CB-CD2 4.22Å; F78-F80 HydrophobicContact CB-CE2 3.56Å; F78-F80 HydrophobicContact CB-CZ 4.35Å |
| 79 | S | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.8 | 177.4 | -68.8 | 0 | 0 | 0 | 0 | 110.1 | S39 I67 K68 | S39-S79 PolarHBondContact OG-OG 2.9Å; I67-S79 WeakPolarHBondContact CG1-O 3.42Å; I67-S79 PolarHBondContact N-O 3.45Å; K68-S79 PolarHBondContact N-O 2.91Å; K68-S79 PolarHBondContact O-N 3.03Å |
| 80 | F | 98.5 | Very high | 94 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 145.6 | -179.6 | -64.6 | -97.9 | 0 | 0 | 0 | 110.8 | V37 I38 L55 L56 L59 V65 L66 F78 | V37-F80 WeakPolarHBondContact CA-O 3.18Å; I38-F80 HydrophobicContact CB-CB 4.34Å; I38-F80 PolarHBondContact N-O 2.85Å; I38-F80 PolarHBondContact O-N 3.16Å; L55-F80 HydrophobicContact CB-CE2 4.19Å; L55-F80 HydrophobicContact CB-CZ 3.74Å; L55-F80 HydrophobicContact CD1-CE2 4.43Å; L56-F80 HydrophobicContact CD2-CE1 4.04Å; L56-F80 HydrophobicContact CG-CE1 4.44Å; L59-F80 HydrophobicContact CB-CD1 4.17Å; L59-F80 HydrophobicContact CB-CE1 4.23Å; L59-F80 HydrophobicContact CD1-CB 4.16Å; L59-F80 HydrophobicContact CD1-CD1 3.51Å; L59-F80 HydrophobicContact CD1-CD2 3.49Å; L59-F80 VanDerWaalsContact CD1-CD2 3.49Å; L59-F80 HydrophobicContact CD1-CE1 3.6Å; L59-F80 HydrophobicContact CD1-CE2 3.59Å; L59-F80 HydrophobicContact CD1-CG 3.46Å; L59-F80 VanDerWaalsContact CD1-CG 3.46Å; L59-F80 HydrophobicContact CD1-CZ 3.66Å; L59-F80 HydrophobicContact CG-CD1 4.48Å; V65-F80 CarbonylContact O-C 3.55Å; V65-F80 VanDerWaalsContact O-CA 3.29Å; V65-F80 WeakPolarHBondContact O-CA 3.36Å; L66-F80 HydrophobicContact CB-CD1 3.82Å; L66-F80 HydrophobicContact CB-CE1 3.59Å; L66-F80 HydrophobicContact CB-CZ 4.22Å; L66-F80 HydrophobicContact CD1-CD1 4.27Å; L66-F80 HydrophobicContact CD1-CD2 4.23Å; L66-F80 HydrophobicContact CD1-CE1 3.99Å; L66-F80 HydrophobicContact CD1-CE2 3.95Å; L66-F80 HydrophobicContact CD1-CG 4.38Å; L66-F80 HydrophobicContact CD1-CZ 3.8Å; L66-F80 HydrophobicContact CG-CE1 4.28Å; L66-F80 HydrophobicContact CG-CZ 4.43Å; F78-F80 HydrophobicContact CB-CD2 4.22Å; F78-F80 HydrophobicContact CB-CE2 3.56Å; F78-F80 HydrophobicContact CB-CZ 4.35Å |
| 81 | L | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 142 | -177.9 | -176.1 | 70.6 | 0 | 0 | 0 | 109.6 | V37 Y64 V65 I67 R83 L85 V89 L117 | V37-L81 HydrophobicContact CG2-CD1 3.82Å; Y64-L81 CarbonylContact C-O 3.6Å; Y64-L81 VanDerWaalsContact CA-O 3.3Å; Y64-L81 WeakPolarHBondContact CA-O 3.48Å; V65-L81 PolarHBondContact N-O 2.82Å; V65-L81 PolarHBondContact O-N 3.03Å; I67-L81 HydrophobicContact CD1-CB 4.05Å; I67-L81 HydrophobicContact CD1-CD2 4.4Å; I67-L81 HydrophobicContact CG1-CB 4.21Å; I67-L81 HydrophobicContact CG2-CB 3.75Å; I67-L81 HydrophobicContact CG2-CD2 4.13Å; L81-R83 PolarHBondContact O-N 3.4Å; L81-L85 HydrophobicContact CD1-CB 3.82Å; L81-L85 HydrophobicContact CD1-CD1 3.92Å; L81-L85 HydrophobicContact CD2-CB 3.92Å; L81-L85 HydrophobicContact CG-CB 3.81Å; L81-V89 HydrophobicContact CD2-CB 3.71Å; L81-V89 HydrophobicContact CD2-CG1 3.65Å; L81-V89 HydrophobicContact CD2-CG2 4.24Å; L81-L117 HydrophobicContact CD1-CD1 4.05Å; L81-L117 HydrophobicContact CD1-CD2 3.63Å; L81-L117 HydrophobicContact CD2-CD1 4.43Å |
| 82 | K | 95.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 18.9 Ų | 18.9 | 5% | 0.052 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 136.5 | 169.9 | -75.5 | -179.5 | 173.8 | 144 | 0 | 110.9 | S34 P35 D36 Y64 N84 L85 S384 | S34-K82 PolarHBondContact O-NZ 3Å; P35-K82 WeakPolarHBondContact O-CE 3.4Å; P35-K82 PolarHBondContact O-NZ 3.38Å; D36-K82 PolarHBondContact O-N 3.38Å; D36-K82 IonicContact OD1-NZ 3.62Å; D36-K82 PolarHBondContact OD1-NZ 3.1Å; Y64-K82 HydrophobicContact CD1-CG 4.08Å; Y64-K82 HydrophobicContact CE1-CG 3.77Å; K82-N84 VanDerWaalsContact CB-OD1 3.27Å; K82-N84 WeakPolarHBondContact CB-OD1 3.29Å; K82-N84 PolarHBondContact O-N 3.49Å; K82-N84 VanDerWaalsContact O-N 3.09Å; K82-L85 HydrophobicContact CB-CD1 4.38Å; K82-L85 WeakPolarHBondContact O-CB 3.47Å; K82-L85 PolarHBondContact O-N 3.14Å; K82-S384 PolarHBondContact NZ-OG 2.84Å |
| 83 | R | 92.9 | Very high | 93.8 | Very high | 37 Ų | 37 | 19.1 Ų | 19.1 | 14% | 0.14 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -53.2 | -35.1 | -177.5 | -173.6 | -177.8 | -61.4 | -65.6 | -7.7 | 113.4 | G63 V65 L81 L85 L86 Y387 E441 F442 | G63-R83 WeakPolarHBondContact O-CB 3.4Å; G63-R83 PolarHBondContact O-N 2.67Å; V65-R83 HydrophobicContact CG2-CB 4.27Å; V65-R83 HydrophobicContact CG2-CG 4.42Å; L81-R83 PolarHBondContact O-N 3.4Å; R83-L85 PolarHBondContact O-N 3.09Å; R83-L86 HydrophobicContact CG-CD1 3.9Å; R83-L86 WeakPolarHBondContact O-CB 3.26Å; R83-L86 WeakPolarHBondContact O-CG 3.37Å; R83-L86 PolarHBondContact O-N 3.37Å; R83-Y387 PolarHBondContact NE-OH 3.33Å; R83-E441 VanDerWaalsContact NH2-C 3.33Å; R83-E441 PolarHBondContact NH2-O 3.41Å; R83-F442 VanDerWaalsContact CZ-O 3.24Å; R83-F442 PolarHBondContact NH1-O 2.81Å; R83-F442 PolarHBondContact NH2-O 3.29Å |
| 84 | N | 90.3 | Very high | 94 | Very high | 50 Ų | 50 | 14.2 Ų | 14.2 | 27% | 0.267 | 8% | 0.078 | S | C | . | . | G | 310 helix | trans | -71.6 | -12.4 | 179.7 | 71.2 | -45.6 | 0 | 0 | 0 | 113.9 | K82 L381 | K82-N84 VanDerWaalsContact CB-OD1 3.27Å; K82-N84 WeakPolarHBondContact CB-OD1 3.29Å; K82-N84 PolarHBondContact O-N 3.49Å; K82-N84 VanDerWaalsContact O-N 3.09Å; N84-L381 PolarHBondContact ND2-O 3.08Å; N84-L381 WeakPolarHBondContact O-CD2 3.02Å |
| 85 | L | 92.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -95.8 | -5.6 | 174.9 | -67.7 | 171.5 | 0 | 0 | 0 | 113.5 | L4 D36 L81 K82 R83 P87 A88 V89 L117 L381 L382 | L4-L85 HydrophobicContact CD2-CD1 3.78Å; L4-L85 HydrophobicContact CD2-CD2 4.42Å; D36-L85 HydrophobicContact CB-CD1 3.78Å; L81-L85 HydrophobicContact CD1-CB 3.82Å; L81-L85 HydrophobicContact CD1-CD1 3.92Å; L81-L85 HydrophobicContact CD2-CB 3.92Å; L81-L85 HydrophobicContact CG-CB 3.81Å; K82-L85 HydrophobicContact CB-CD1 4.38Å; K82-L85 WeakPolarHBondContact O-CB 3.47Å; K82-L85 PolarHBondContact O-N 3.14Å; R83-L85 PolarHBondContact O-N 3.09Å; L85-P87 VanDerWaalsContact C-N 3.3Å; L85-A88 CarbonylContact O-C 3.57Å; L85-A88 WeakPolarHBondContact O-CA 3.3Å; L85-A88 PolarHBondContact O-N 2.93Å; L85-V89 PolarHBondContact O-N 3.46Å; L85-L117 HydrophobicContact CB-CD1 4.22Å; L85-L381 HydrophobicContact CD2-CB 4.29Å; L85-L381 VanDerWaalsContact CD2-O 3.3Å; L85-L381 WeakPolarHBondContact CD2-O 3.21Å; L85-L382 HydrophobicContact CD2-CD2 4.3Å |
| 86 | L | 92.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 5% | 0.047 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -51.7 | -38.2 | 173.8 | -71.3 | 171.1 | 0 | 0 | 0 | 114.2 | V65 I67 R83 A88 F442 Y518 | V65-L86 HydrophobicContact CB-CD2 4.33Å; V65-L86 HydrophobicContact CG1-CD2 4.3Å; V65-L86 HydrophobicContact CG2-CD1 4.09Å; I67-L86 HydrophobicContact CG2-CD2 3.91Å; R83-L86 HydrophobicContact CG-CD1 3.9Å; R83-L86 WeakPolarHBondContact O-CB 3.26Å; R83-L86 WeakPolarHBondContact O-CG 3.37Å; R83-L86 PolarHBondContact O-N 3.37Å; L86-A88 PolarHBondContact O-N 3.04Å; L86-A88 VanDerWaalsContact O-N 3.1Å; L86-F442 HydrophobicContact CD1-CE1 4.12Å; L86-F442 HydrophobicContact CD1-CE2 4.46Å; L86-F442 HydrophobicContact CD1-CZ 3.66Å; L86-Y518 HydrophobicContact CB-CE1 4.3Å; L86-Y518 HydrophobicContact CB-CE2 4.26Å; L86-Y518 WeakPolarHBondContact O-CE2 3.37Å; L86-Y518 PolarHBondContact O-OH 2.99Å |
| 87 | P | 90.6 | Very high | 93.9 | Very high | 56 Ų | 56 | 17.4 Ų | 17.4 | 36% | 0.364 | 9% | 0.093 | S | C | . | . | G | 310 helix | trans | -69.6 | -0.9 | 175.5 | -19.3 | 34.4 | 0 | 0 | 0 | 114.8 | L85 W339 | L85-P87 VanDerWaalsContact C-N 3.3Å; P87-W339 WeakPolarHBondContact O-CH2 3.18Å; P87-W339 WeakPolarHBondContact O-CZ3 3.21Å |
| 88 | A | 91 | Very high | 93.5 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -125.9 | 8.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L85 L86 L117 C118 W339 | L85-A88 CarbonylContact O-C 3.57Å; L85-A88 WeakPolarHBondContact O-CA 3.3Å; L85-A88 PolarHBondContact O-N 2.93Å; L86-A88 PolarHBondContact O-N 3.04Å; L86-A88 VanDerWaalsContact O-N 3.1Å; A88-L117 HydrophobicContact CB-CD1 4.37Å; A88-L117 CarbonylContact O-C 3.59Å; A88-L117 WeakPolarHBondContact O-CA 3.36Å; A88-C118 PolarHBondContact O-N 2.91Å; A88-W339 VanDerWaalsContact CA-CZ3 3.44Å; A88-W339 HydrophobicContact CB-CE3 4.09Å; A88-W339 HydrophobicContact CB-CH2 3.49Å; A88-W339 VanDerWaalsContact CB-CH2 3.49Å; A88-W339 HydrophobicContact CB-CZ2 3.97Å; A88-W339 HydrophobicContact CB-CZ3 3.57Å |
| 89 | V | 92.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134 | 175 | 69.6 | 0 | 0 | 0 | 0 | 111.8 | I67 L81 L85 I92 F115 E116 L117 | I67-V89 HydrophobicContact CD1-CG2 3.99Å; L81-V89 HydrophobicContact CD2-CB 3.71Å; L81-V89 HydrophobicContact CD2-CG1 3.65Å; L81-V89 HydrophobicContact CD2-CG2 4.24Å; L85-V89 PolarHBondContact O-N 3.46Å; V89-I92 HydrophobicContact CG1-CD1 4.31Å; V89-I92 HydrophobicContact CG2-CD1 4.15Å; V89-I92 HydrophobicContact CG2-CG1 4.04Å; V89-F115 HydrophobicContact CG2-CB 3.94Å; V89-F115 HydrophobicContact CG2-CD2 3.88Å; V89-F115 HydrophobicContact CG2-CG 4.09Å; V89-E116 CarbonylContact C-O 3.59Å; V89-E116 WeakPolarHBondContact CA-O 3.49Å; V89-E116 WeakPolarHBondContact CG2-O 3.27Å; V89-L117 HydrophobicContact CB-CD1 4.33Å |
| 90 | T | 90.4 | Very high | 91.2 | Very high | 18 Ų | 18 | 20.7 Ų | 20.7 | 11% | 0.11 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 171.7 | -175.2 | 34.7 | 0 | 0 | 0 | 0 | 110.9 | I92 E116 L342 | T90-I92 PolarHBondContact O-N 3.11Å; T90-E116 WeakPolarHBondContact CB-OE2 3.26Å; T90-E116 PolarHBondContact N-O 3.27Å; T90-E116 PolarHBondContact O-N 3.49Å; T90-E116 WeakPolarHBondContact OG1-CB 3.34Å; T90-E116 PolarHBondContact OG1-OE2 3.02Å; T90-L342 HydrophobicContact CG2-CD2 3.43Å; T90-L342 VanDerWaalsContact CG2-CD2 3.43Å |
| 91 | N | 88.6 | Confident | 89 | Confident | 23 Ų | 23 | 30.5 Ų | 30.5 | 12% | 0.123 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.9 | 41.3 | 170.8 | -52.2 | -27.8 | 0 | 0 | 0 | 114.8 | E93 R114 E116 C514 | N91-E93 PolarHBondContact O-N 3.16Å; N91-R114 VanDerWaalsContact CB-NH1 3.34Å; N91-R114 VanDerWaalsContact O-CD 3.3Å; N91-R114 WeakPolarHBondContact O-CD 3.25Å; N91-R114 PolarHBondContact O-NH1 2.96Å; N91-E116 HydrophobicContact CB-CB 4.37Å; N91-E116 PolarHBondContact ND2-OE2 3.22Å; N91-C514 PolarHBondContact N-SG 3.3Å |
| 92 | I | 93.3 | Very high | 87 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 118.5 | 179.3 | -56.3 | 165.9 | 0 | 0 | 0 | 109.8 | I67 K68 V89 T90 R114 F115 L445 C514 | I67-I92 HydrophobicContact CB-CD1 4.33Å; K68-I92 HydrophobicContact CB-CG2 3.83Å; K68-I92 HydrophobicContact CD-CG2 3.99Å; K68-I92 HydrophobicContact CG-CG2 4.04Å; V89-I92 HydrophobicContact CG1-CD1 4.31Å; V89-I92 HydrophobicContact CG2-CD1 4.15Å; V89-I92 HydrophobicContact CG2-CG1 4.04Å; T90-I92 PolarHBondContact O-N 3.11Å; I92-R114 CarbonylContact C-O 3.54Å; I92-R114 WeakPolarHBondContact CA-O 3.34Å; I92-F115 HydrophobicContact CB-CB 4.41Å; I92-F115 HydrophobicContact CG1-CB 3.86Å; I92-L445 HydrophobicContact CD1-CD2 3.93Å; I92-C514 HydrophobicContact CB-CB 3.99Å; I92-C514 HydrophobicContact CD1-CB 4.18Å; I92-C514 HydrophobicContact CG1-CB 4.09Å |
| 93 | E | 93 | Very high | 84.9 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 168.7 | -179.1 | -59.3 | -178.6 | -152.4 | 0 | 0 | 111.4 | N91 A113 R114 F152 R153 | N91-E93 PolarHBondContact O-N 3.16Å; E93-A113 WeakPolarHBondContact O-CA 3.46Å; E93-R114 HydrophobicContact CB-CG 3.88Å; E93-R114 PolarHBondContact N-O 3.29Å; E93-R114 PolarHBondContact O-N 3.22Å; E93-F152 HydrophobicContact CB-CD1 3.98Å; E93-R153 IonicContact OE1-CZ 3.38Å; E93-R153 IonicContact OE1-NE 2.84Å; E93-R153 PolarHBondContact OE1-NE 3.25Å; E93-R153 IonicContact OE1-NH2 3.01Å; E93-R153 PolarHBondContact OE1-NH2 3.25Å; E93-R153 WeakPolarHBondContact OE2-CG 3.24Å; E93-R153 IonicContact OE2-CZ 3.61Å; E93-R153 PolarHBondContact OE2-N 3.42Å; E93-R153 IonicContact OE2-NE 2.94Å; E93-R153 PolarHBondContact OE2-NE 2.94Å; E93-R153 VanDerWaalsContact OE2-NE 3.14Å; E93-R153 IonicContact OE2-NH2 4Å |
| 94 | S | 95.1 | Very high | 82.9 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | trans | -160.8 | 115.7 | -179.3 | 62.7 | 0 | 0 | 0 | 0 | 112.2 | K68 R70 S112 | K68-S94 WeakPolarHBondContact CE-OG 3.22Å; K68-S94 PolarHBondContact NZ-OG 2.7Å; R70-S94 WeakPolarHBondContact CD-OG 3.44Å; R70-S94 PolarHBondContact NE-O 3.39Å; R70-S94 PolarHBondContact NE-OG 3.36Å; S94-S112 WeakPolarHBondContact CA-O 3.37Å; S94-S112 WeakPolarHBondContact CB-O 3.44Å | ||
| 95 | E | 95.7 | Very high | 81.1 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | trans | -107.6 | 166.7 | 179.3 | -71.3 | -51 | 140.2 | 0 | 0 | 113.3 | V111 S112 Q150 F152 | E95-V111 WeakPolarHBondContact O-CA 3.41Å; E95-S112 PolarHBondContact N-O 2.76Å; E95-S112 PolarHBondContact N-OG 2.79Å; E95-S112 PolarHBondContact O-N 3.21Å; E95-S112 PolarHBondContact O-OG 2.87Å; E95-Q150 HydrophobicContact CB-CB 4.07Å; E95-Q150 HydrophobicContact CB-CG 4.1Å; E95-F152 HydrophobicContact CB-CE1 3.91Å; E95-F152 HydrophobicContact CB-CZ 4.25Å; E95-F152 HydrophobicContact CG-CD1 3.98Å; E95-F152 HydrophobicContact CG-CE1 3.66Å; E95-F152 HydrophobicContact CG-CZ 4.31Å | ||
| 96 | V | 94.9 | Very high | 79.7 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 127.3 | -174.7 | 167.4 | 0 | 0 | 0 | 0 | 109.4 | R70 C72 V111 | R70-V96 HydrophobicContact CG-CG2 3.96Å; C72-V96 HydrophobicContact CB-CG1 3.57Å; C72-V96 HydrophobicContact CB-CG2 4.36Å; C72-V96 VanDerWaalsContact SG-CG1 3.5Å; V96-V111 HydrophobicContact CG2-CG1 4.23Å; V96-V111 HydrophobicContact CG2-CG2 4.45Å |
| 97 | T | 93 | Very high | 79 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.043 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 117.7 | 161.8 | -53 | 0 | 0 | 0 | 0 | 107.8 | G109 G110 D145 I146 H149 Q150 | T97-G109 WeakPolarHBondContact O-CA 3.44Å; T97-G110 PolarHBondContact N-O 2.87Å; T97-G110 PolarHBondContact O-N 2.84Å; T97-D145 HydrophobicContact CG2-CB 4.02Å; T97-D145 WeakPolarHBondContact CG2-O 3.22Å; T97-I146 HydrophobicContact CG2-CG1 4.13Å; T97-H149 HydrophobicContact CG2-CB 4.39Å; T97-Q150 VanDerWaalsContact N-NE2 3.19Å; T97-Q150 WeakPolarHBondContact OG1-CG 3.4Å; T97-Q150 PolarHBondContact OG1-NE2 3.27Å; T97-Q150 VanDerWaalsContact OG1-NE2 3.08Å |
| 98 | A | 89.9 | Confident | 79.1 | Confident | 44 Ų | 44 | 48.5 Ų | 48.5 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 132.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109 | W73 | W73-A98 HydrophobicContact CH2-CB 3.54Å; W73-A98 HydrophobicContact CZ2-CB 4.39Å; W73-A98 HydrophobicContact CZ3-CB 3.74Å |
| 99 | S | 80.3 | Confident | 79.2 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 172.4 | 169.5 | 78.4 | 0 | 0 | 0 | 0 | 111 | K108 G109 D142 | S99-K108 PolarHBondContact N-O 2.74Å; S99-K108 VanDerWaalsContact OG-C 3.23Å; S99-K108 WeakPolarHBondContact OG-CB 3.39Å; S99-G109 WeakPolarHBondContact OG-CA 3.38Å; S99-G109 PolarHBondContact OG-N 2.99Å; S99-D142 VanDerWaalsContact CB-OD1 3.22Å; S99-D142 WeakPolarHBondContact CB-OD1 3.44Å; S99-D142 PolarHBondContact OG-OD1 3.45Å |
| 100 | G | 67.4 | Low | 79.4 | Confident | 25 Ų | 25 | 48.4 Ų | 48.4 | 26% | 0.258 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.4 | -160.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A102 G103 | G100-A102 PolarHBondContact O-N 3.01Å; G100-G103 PolarHBondContact O-N 2.99Å |
| 101 | Y | 53.8 | Low | 79.7 | Confident | 207 Ų | 207 | 47.6 Ų | 47.6 | 81% | 0.812 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 124.1 | -175.7 | -162.4 | -99.8 | 0 | 0 | 0 | 110.5 | G103 M105 | Y101-G103 PolarHBondContact O-N 2.79Å; Y101-M105 PolarHBondContact N-O 2.55Å; Y101-M105 PolarHBondContact O-N 2.99Å |
| 102 | A | 54.3 | Low | 80.2 | Confident | 91 Ų | 91 | 46.5 Ų | 46.5 | 75% | 0.752 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 23.8 | -172 | 0 | 0 | 0 | 0 | 0 | 115.5 | G100 V104 | G100-A102 PolarHBondContact O-N 3.01Å; A102-V104 PolarHBondContact O-N 2.96Å |
| 103 | G | 50.2 | Low | 80.4 | Confident | 42 Ų | 42 | 46 Ų | 46 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | -1.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G100 Y101 | G100-G103 PolarHBondContact O-N 2.99Å; Y101-G103 PolarHBondContact O-N 2.79Å |
| 104 | V | 51.7 | Low | 80.6 | Confident | 124 Ų | 124 | 45.3 Ų | 45.3 | 75% | 0.752 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | -19.1 | -175.9 | -176.8 | 0 | 0 | 0 | 0 | 112 | A102 | A102-V104 PolarHBondContact O-N 2.96Š|
| 105 | M | 52.9 | Low | 80.6 | Confident | 156 Ų | 156 | 44.8 Ų | 44.8 | 77% | 0.768 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 104.4 | -175.3 | -134.9 | 177.1 | -170.2 | 0 | 0 | 110.9 | Y101 | Y101-M105 PolarHBondContact N-O 2.55Å; Y101-M105 PolarHBondContact O-N 2.99Å |
| 106 | G | 61.8 | Low | 80.5 | Confident | 29 Ų | 29 | 42.8 Ų | 42.8 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | -178.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | W73 | W73-G106 VanDerWaalsContact CD2-O 3.3Å; W73-G106 WeakPolarHBondContact CH2-O 3.08Å; W73-G106 WeakPolarHBondContact CZ2-O 3.41Å; W73-G106 WeakPolarHBondContact CZ3-O 3.48Å |
| 107 | N | 79.5 | Confident | 80.4 | Confident | 79 Ų | 79 | 40.5 Ų | 40.5 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 41.6 | 165.3 | 66 | -12.9 | 0 | 0 | 0 | 109 | ||
| 108 | K | 91.8 | Very high | 80.3 | Confident | 21 Ų | 21 | 40.1 Ų | 40.1 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 164.1 | -164.7 | -62.7 | -69.1 | 173.5 | -83.6 | 0 | 110.9 | W73 S99 H128 F129 | W73-K108 WeakPolarHBondContact CZ3-O 3.04Å; S99-K108 PolarHBondContact N-O 2.74Å; S99-K108 VanDerWaalsContact OG-C 3.23Å; S99-K108 WeakPolarHBondContact OG-CB 3.39Å; K108-H128 CarbonylContact C-O 3.54Å; K108-H128 VanDerWaalsContact CA-O 3.26Å; K108-H128 WeakPolarHBondContact CA-O 3.39Å; K108-H128 WeakPolarHBondContact CB-O 3.33Å; K108-H128 HydrophobicContact CD-CB 4.39Å; K108-H128 VanDerWaalsContact CD-CD2 3.48Å; K108-H128 WeakPolarHBondContact CD-CD2 3.37Å; K108-H128 WeakPolarHBondContact CD-O 3.5Å; K108-H128 WeakPolarHBondContact CE-CD2 3.27Å; K108-H128 WeakPolarHBondContact CE-NE2 3.35Å; K108-H128 PolarHBondContact NZ-CD2 2.73Å; K108-H128 VanDerWaalsContact NZ-CD2 3.31Å; K108-H128 PolarHBondContact NZ-CE1 3.5Å; K108-H128 PolarHBondContact NZ-NE2 2.8Å; K108-F129 VanDerWaalsContact CD-O 3.29Å; K108-F129 WeakPolarHBondContact CD-O 3.3Å; K108-F129 WeakPolarHBondContact CE-O 3.23Å |
| 109 | G | 93.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.1 | -143.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T97 S99 C127 H128 | T97-G109 WeakPolarHBondContact O-CA 3.44Å; S99-G109 WeakPolarHBondContact OG-CA 3.38Å; S99-G109 PolarHBondContact OG-N 2.99Å; G109-C127 CarbonylContact O-C 3.58Å; G109-C127 VanDerWaalsContact O-CA 3.32Å; G109-C127 WeakPolarHBondContact O-CA 3.06Å; G109-H128 PolarHBondContact N-O 2.97Å; G109-H128 PolarHBondContact O-N 3.15Å |
| 110 | G | 96.2 | Very high | 80.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 145 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T97 S126 Q150 | T97-G110 PolarHBondContact N-O 2.87Å; T97-G110 PolarHBondContact O-N 2.84Å; G110-S126 WeakPolarHBondContact CA-O 3.33Å; G110-Q150 PolarHBondContact O-NE2 3.39Å |
| 111 | V | 97.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130 | 175 | -173 | 0 | 0 | 0 | 0 | 108.3 | R70 C72 I75 I77 E95 V96 L125 S126 | R70-V111 HydrophobicContact CB-CG1 3.61Å; R70-V111 HydrophobicContact CG-CG1 3.44Å; R70-V111 VanDerWaalsContact CG-CG1 3.44Å; C72-V111 HydrophobicContact CB-CG2 3.46Å; C72-V111 VanDerWaalsContact CB-CG2 3.46Å; I75-V111 HydrophobicContact CB-CG2 4.05Å; I75-V111 HydrophobicContact CG2-CG2 3.85Å; I77-V111 HydrophobicContact CB-CG1 4.44Å; I77-V111 HydrophobicContact CG2-CB 4.41Å; I77-V111 HydrophobicContact CG2-CG1 3.69Å; E95-V111 WeakPolarHBondContact O-CA 3.41Å; V96-V111 HydrophobicContact CG2-CG1 4.23Å; V96-V111 HydrophobicContact CG2-CG2 4.45Å; V111-L125 CarbonylContact O-C 3.46Å; V111-L125 WeakPolarHBondContact O-CA 3.44Å; V111-S126 PolarHBondContact N-O 3.37Å; V111-S126 PolarHBondContact O-N 2.88Å |
| 112 | S | 98.2 | Very high | 83.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 155.9 | 173.5 | 56.8 | 0 | 0 | 0 | 0 | 113 | S94 E95 F124 Q150 F152 | S94-S112 WeakPolarHBondContact CA-O 3.37Å; S94-S112 WeakPolarHBondContact CB-O 3.44Å; E95-S112 PolarHBondContact N-O 2.76Å; E95-S112 PolarHBondContact N-OG 2.79Å; E95-S112 PolarHBondContact O-N 3.21Å; E95-S112 PolarHBondContact O-OG 2.87Å; S112-F124 CarbonylContact C-O 3.47Å; S112-F124 VanDerWaalsContact CA-O 3.23Å; S112-F124 WeakPolarHBondContact CA-O 3.11Å; S112-Q150 PolarHBondContact OG-OE1 2.63Å; S112-F152 WeakPolarHBondContact OG-CZ 3.41Å |
| 113 | A | 97.7 | Very high | 86 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 122.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | K68 I77 E93 F124 | K68-A113 HydrophobicContact CB-CB 4.35Å; K68-A113 HydrophobicContact CG-CB 4.01Å; I77-A113 HydrophobicContact CD1-CB 4.27Å; I77-A113 HydrophobicContact CG2-CB 3.92Å; E93-A113 WeakPolarHBondContact O-CA 3.46Å; A113-F124 PolarHBondContact N-O 3.31Å; A113-F124 PolarHBondContact O-N 3.25Å |
| 114 | R | 96.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 152.8 | 176.4 | 72.8 | 88.7 | 83.8 | 176.1 | 6.3 | 111.2 | N91 I92 E93 M122 I123 F152 D154 V157 H163 | N91-R114 VanDerWaalsContact CB-NH1 3.34Å; N91-R114 VanDerWaalsContact O-CD 3.3Å; N91-R114 WeakPolarHBondContact O-CD 3.25Å; N91-R114 PolarHBondContact O-NH1 2.96Å; I92-R114 CarbonylContact C-O 3.54Å; I92-R114 WeakPolarHBondContact CA-O 3.34Å; E93-R114 HydrophobicContact CB-CG 3.88Å; E93-R114 PolarHBondContact N-O 3.29Å; E93-R114 PolarHBondContact O-N 3.22Å; R114-M122 CarbonylContact C-O 3.57Å; R114-M122 WeakPolarHBondContact CA-O 3.19Å; R114-M122 VanDerWaalsContact CB-O 3.27Å; R114-M122 WeakPolarHBondContact CB-O 3.22Å; R114-I123 HydrophobicContact CB-CB 3.81Å; R114-I123 HydrophobicContact CB-CD1 4.25Å; R114-I123 HydrophobicContact CB-CG1 3.9Å; R114-F152 HydrophobicContact CG-CD1 3.54Å; R114-F152 HydrophobicContact CG-CE1 3.74Å; R114-F152 HydrophobicContact CG-CG 3.99Å; R114-F152 HydrophobicContact CG-CZ 4.38Å; R114-D154 IonicContact CZ-OD2 3.38Å; R114-D154 VanDerWaalsContact CZ-OD2 3.32Å; R114-D154 IonicContact NH1-OD2 3.98Å; R114-D154 PolarHBondContact NH1-OD2 3Å; R114-D154 VanDerWaalsContact NH2-CB 3.3Å; R114-D154 IonicContact NH2-OD2 2.81Å; R114-D154 PolarHBondContact NH2-OD2 2.81Å; R114-V157 VanDerWaalsContact NH2-CB 3.35Å; R114-V157 PolarHBondContact NH2-O 2.83Å; R114-H163 WeakPolarHBondContact CB-NE2 3.5Å; R114-H163 PolarHBondContact NE-NE2 2.96Å |
| 115 | F | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 156.4 | 172.2 | 50.7 | -94.2 | 0 | 0 | 0 | 110.4 | V37 I67 V89 I92 L117 M122 F124 | V37-F115 HydrophobicContact CG1-CZ 3.9Å; V37-F115 HydrophobicContact CG2-CE2 4.43Å; V37-F115 HydrophobicContact CG2-CZ 4.33Å; I67-F115 HydrophobicContact CD1-CD1 3.74Å; I67-F115 HydrophobicContact CD1-CD2 4.33Å; I67-F115 HydrophobicContact CD1-CE1 3.78Å; I67-F115 HydrophobicContact CD1-CE2 4.35Å; I67-F115 HydrophobicContact CD1-CG 4.02Å; I67-F115 HydrophobicContact CD1-CZ 4.08Å; V89-F115 HydrophobicContact CG2-CB 3.94Å; V89-F115 HydrophobicContact CG2-CD2 3.88Å; V89-F115 HydrophobicContact CG2-CG 4.09Å; I92-F115 HydrophobicContact CB-CB 4.41Å; I92-F115 HydrophobicContact CG1-CB 3.86Å; F115-L117 HydrophobicContact CD2-CB 3.89Å; F115-L117 HydrophobicContact CE2-CB 3.93Å; F115-L117 HydrophobicContact CE2-CD2 4.11Å; F115-M122 HydrophobicContact CD2-CB 4.29Å; F115-M122 HydrophobicContact CE2-CB 4.07Å; F115-M122 HydrophobicContact CE2-CG 4.24Å; F115-M122 HydrophobicContact CE2-SD 4.05Å; F115-M122 HydrophobicContact CZ-CB 4.42Å; F115-M122 PolarHBondContact N-O 3.38Å; F115-M122 PolarHBondContact O-N 3.46Å; F115-F124 AromaticContact CE1-CD2 3.96Å; F115-F124 HydrophobicContact CE1-CD2 3.96Å; F115-F124 AromaticContact CE1-CE2 3.7Å; F115-F124 HydrophobicContact CE1-CE2 3.7Å; F115-F124 HydrophobicContact CE2-CE2 4.46Å; F115-F124 HydrophobicContact CZ-CD2 4.27Å; F115-F124 AromaticContact CZ-CE2 3.53Å; F115-F124 HydrophobicContact CZ-CE2 3.53Å; F115-F124 HydrophobicContact CZ-CZ 4.37Å |
| 116 | E | 93.1 | Very high | 92.7 | Very high | 23 Ų | 23 | 7.7 Ų | 7.7 | 11% | 0.107 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133.2 | 163.8 | -179.3 | -160.2 | 171.9 | 0 | 0 | 107.8 | V89 T90 N91 I120 | V89-E116 CarbonylContact C-O 3.59Å; V89-E116 WeakPolarHBondContact CA-O 3.49Å; V89-E116 WeakPolarHBondContact CG2-O 3.27Å; T90-E116 WeakPolarHBondContact CB-OE2 3.26Å; T90-E116 PolarHBondContact N-O 3.27Å; T90-E116 PolarHBondContact O-N 3.49Å; T90-E116 WeakPolarHBondContact OG1-CB 3.34Å; T90-E116 PolarHBondContact OG1-OE2 3.02Å; N91-E116 HydrophobicContact CB-CB 4.37Å; N91-E116 PolarHBondContact ND2-OE2 3.22Å; E116-I120 CarbonylContact C-O 3.54Å; E116-I120 WeakPolarHBondContact CA-O 3.46Å |
| 117 | L | 93.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 122 | 175.6 | 171.4 | 59.8 | 0 | 0 | 0 | 108.9 | L4 V37 L81 L85 A88 V89 F115 G119 I120 | L4-L117 HydrophobicContact CD1-CD2 3.66Å; L4-L117 HydrophobicContact CD1-CG 3.87Å; V37-L117 HydrophobicContact CG2-CD2 3.53Å; L81-L117 HydrophobicContact CD1-CD1 4.05Å; L81-L117 HydrophobicContact CD1-CD2 3.63Å; L81-L117 HydrophobicContact CD2-CD1 4.43Å; L85-L117 HydrophobicContact CB-CD1 4.22Å; A88-L117 HydrophobicContact CB-CD1 4.37Å; A88-L117 CarbonylContact O-C 3.59Å; A88-L117 WeakPolarHBondContact O-CA 3.36Å; V89-L117 HydrophobicContact CB-CD1 4.33Å; F115-L117 HydrophobicContact CD2-CB 3.89Å; F115-L117 HydrophobicContact CE2-CB 3.93Å; F115-L117 HydrophobicContact CE2-CD2 4.11Å; L117-G119 PolarHBondContact O-N 2.93Å; L117-I120 PolarHBondContact N-O 3.14Å; L117-I120 WeakPolarHBondContact O-CG1 3.47Å; L117-I120 PolarHBondContact O-N 2.93Å |
| 118 | C | 90.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 1% | 0.013 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 30.4 | -178.6 | -65.9 | 0 | 0 | 0 | 0 | 114.1 | A88 V335 W339 L375 | A88-C118 PolarHBondContact O-N 2.91Å; C118-V335 HydrophobicContact CB-CG1 3.57Å; C118-W339 WeakPolarHBondContact O-CB 3.15Å; C118-L375 HydrophobicContact CB-CD1 3.71Å |
| 119 | G | 86.1 | Confident | 95.5 | Very high | 3 Ų | 3 | 1.7 Ų | 1.7 | 3% | 0.031 | 1% | 0.009 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 7.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L117 | L117-G119 PolarHBondContact O-N 2.93Š|
| 120 | I | 91.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.1 | 168.1 | 63.6 | 163.4 | 0 | 0 | 0 | 111 | L4 E116 L117 M122 Y165 F258 V335 P336 | L4-I120 HydrophobicContact CD1-CD1 4.22Å; E116-I120 CarbonylContact C-O 3.54Å; E116-I120 WeakPolarHBondContact CA-O 3.46Å; L117-I120 PolarHBondContact N-O 3.14Å; L117-I120 WeakPolarHBondContact O-CG1 3.47Å; L117-I120 PolarHBondContact O-N 2.93Å; I120-M122 HydrophobicContact CD1-CE 4.02Å; I120-M122 HydrophobicContact CD1-CG 3.95Å; I120-M122 HydrophobicContact CD1-SD 3.61Å; I120-M122 HydrophobicContact CG1-CG 3.93Å; I120-M122 HydrophobicContact CG1-SD 4.1Å; I120-Y165 HydrophobicContact CB-CD2 4.29Å; I120-Y165 HydrophobicContact CB-CE2 4.13Å; I120-Y165 HydrophobicContact CD1-CD2 3.74Å; I120-Y165 HydrophobicContact CD1-CE2 3.61Å; I120-Y165 HydrophobicContact CG1-CE2 4.47Å; I120-Y165 HydrophobicContact CG2-CE2 4.18Å; I120-F258 HydrophobicContact CB-CE1 4.49Å; I120-F258 HydrophobicContact CG2-CD1 3.83Å; I120-F258 HydrophobicContact CG2-CE1 3.43Å; I120-F258 VanDerWaalsContact CG2-CE1 3.43Å; I120-F258 HydrophobicContact CG2-CZ 4.31Å; I120-V335 HydrophobicContact CD1-CG2 4.37Å; I120-P336 HydrophobicContact CG2-CG 4.38Å |
| 121 | N | 93.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 4 Ų | 4 | 3% | 0.032 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 118.8 | 176.7 | -65.7 | -84.6 | 0 | 0 | 0 | 109.9 | V157 D164 Y165 | N121-V157 HydrophobicContact CB-CG1 4.11Å; N121-V157 HydrophobicContact CB-CG2 4.17Å; N121-D164 WeakPolarHBondContact CB-OD2 3.2Å; N121-D164 PolarHBondContact N-OD2 3.1Å; N121-D164 PolarHBondContact ND2-OD2 2.84Å; N121-D164 VanDerWaalsContact ND2-OD2 3.13Å; N121-D164 WeakPolarHBondContact O-CB 3.32Å; N121-D164 PolarHBondContact O-N 3.31Å; N121-Y165 PolarHBondContact O-N 3.32Å; N121-Y165 VanDerWaalsContact O-N 3.14Å |
| 122 | M | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135.3 | -172.1 | -53.9 | -149.4 | 75 | 0 | 0 | 110 | V6 R114 F115 I120 F124 Y165 F167 L333 | V6-M122 HydrophobicContact CG2-CE 4.2Å; R114-M122 CarbonylContact C-O 3.57Å; R114-M122 WeakPolarHBondContact CA-O 3.19Å; R114-M122 VanDerWaalsContact CB-O 3.27Å; R114-M122 WeakPolarHBondContact CB-O 3.22Å; F115-M122 HydrophobicContact CD2-CB 4.29Å; F115-M122 HydrophobicContact CE2-CB 4.07Å; F115-M122 HydrophobicContact CE2-CG 4.24Å; F115-M122 HydrophobicContact CE2-SD 4.05Å; F115-M122 HydrophobicContact CZ-CB 4.42Å; F115-M122 PolarHBondContact N-O 3.38Å; F115-M122 PolarHBondContact O-N 3.46Å; I120-M122 HydrophobicContact CD1-CE 4.02Å; I120-M122 HydrophobicContact CD1-CG 3.95Å; I120-M122 HydrophobicContact CD1-SD 3.61Å; I120-M122 HydrophobicContact CG1-CG 3.93Å; I120-M122 HydrophobicContact CG1-SD 4.1Å; M122-F124 HydrophobicContact CB-CE2 3.96Å; M122-F124 HydrophobicContact CE-CE2 4.49Å; M122-F124 HydrophobicContact CE-CZ 4.08Å; M122-Y165 HydrophobicContact CE-CD2 4.24Å; M122-Y165 HydrophobicContact CE-CG 4.3Å; M122-F167 HydrophobicContact CE-CE2 3.71Å; M122-F167 HydrophobicContact CE-CZ 4.48Å; M122-L333 HydrophobicContact CE-CD1 3.22Å |
| 123 | I | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137 | 168.8 | -175 | 170.1 | 0 | 0 | 0 | 111.1 | R114 L125 F152 I160 H163 Y165 V166 F167 | R114-I123 HydrophobicContact CB-CB 3.81Å; R114-I123 HydrophobicContact CB-CD1 4.25Å; R114-I123 HydrophobicContact CB-CG1 3.9Å; I123-L125 HydrophobicContact CD1-CD1 4.35Å; I123-L125 HydrophobicContact CG1-CD1 4.08Å; I123-L125 HydrophobicContact CG1-CG 4.47Å; I123-L125 HydrophobicContact CG2-CD1 4.5Å; I123-F152 HydrophobicContact CD1-CE1 4.41Å; I123-F152 HydrophobicContact CD1-CE2 3.64Å; I123-F152 HydrophobicContact CD1-CZ 3.44Å; I123-F152 VanDerWaalsContact CD1-CZ 3.44Å; I123-I160 HydrophobicContact CD1-CB 4.39Å; I123-I160 HydrophobicContact CD1-CG1 3.93Å; I123-I160 HydrophobicContact CD1-CG2 4.45Å; I123-H163 HydrophobicContact CB-CB 4.28Å; I123-H163 HydrophobicContact CG2-CB 3.59Å; I123-H163 VanDerWaalsContact CG2-CG 3.48Å; I123-Y165 PolarHBondContact N-O 3.14Å; I123-V166 HydrophobicContact CG2-CB 3.93Å; I123-V166 HydrophobicContact CG2-CG1 3.85Å; I123-V166 HydrophobicContact CG2-CG2 3.72Å; I123-F167 PolarHBondContact O-N 3.19Å |
| 124 | F | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.2 | 175.3 | -59.2 | -93.1 | 0 | 0 | 0 | 107.8 | V6 V37 S39 I77 S112 A113 F115 M122 F167 M169 | V6-F124 HydrophobicContact CG1-CE1 3.54Å; V6-F124 HydrophobicContact CG1-CZ 3.64Å; V37-F124 HydrophobicContact CG1-CE2 4.27Å; V37-F124 HydrophobicContact CG1-CZ 3.87Å; S39-F124 WeakPolarHBondContact OG-CB 3.43Å; S39-F124 WeakPolarHBondContact OG-CG 3.45Å; I77-F124 VanDerWaalsContact CD1-C 3.48Å; I77-F124 HydrophobicContact CD1-CB 3.68Å; I77-F124 VanDerWaalsContact CD1-O 3.23Å; I77-F124 WeakPolarHBondContact CD1-O 3.27Å; S112-F124 CarbonylContact C-O 3.47Å; S112-F124 VanDerWaalsContact CA-O 3.23Å; S112-F124 WeakPolarHBondContact CA-O 3.11Å; A113-F124 PolarHBondContact N-O 3.31Å; A113-F124 PolarHBondContact O-N 3.25Å; F115-F124 AromaticContact CE1-CD2 3.96Å; F115-F124 HydrophobicContact CE1-CD2 3.96Å; F115-F124 AromaticContact CE1-CE2 3.7Å; F115-F124 HydrophobicContact CE1-CE2 3.7Å; F115-F124 HydrophobicContact CE2-CE2 4.46Å; F115-F124 HydrophobicContact CZ-CD2 4.27Å; F115-F124 AromaticContact CZ-CE2 3.53Å; F115-F124 HydrophobicContact CZ-CE2 3.53Å; F115-F124 HydrophobicContact CZ-CZ 4.37Å; M122-F124 HydrophobicContact CB-CE2 3.96Å; M122-F124 HydrophobicContact CE-CE2 4.49Å; M122-F124 HydrophobicContact CE-CZ 4.08Å; F124-F167 CarbonylContact C-O 3.5Å; F124-F167 WeakPolarHBondContact CA-O 3.44Å; F124-F167 HydrophobicContact CD1-CB 3.77Å; F124-F167 AromaticContact CD1-CD2 3.72Å; F124-F167 HydrophobicContact CD1-CD2 3.72Å; F124-F167 HydrophobicContact CD1-CG 4Å; F124-F167 HydrophobicContact CE1-CB 4.19Å; F124-F167 AromaticContact CE1-CD2 3.34Å; F124-F167 HydrophobicContact CE1-CD2 3.34Å; F124-F167 AromaticContact CE1-CE2 3.97Å; F124-F167 HydrophobicContact CE1-CE2 3.97Å; F124-F167 AromaticContact CE1-CG 3.89Å; F124-F167 HydrophobicContact CE1-CG 3.89Å; F124-F167 HydrophobicContact CG-CD2 4.46Å; F124-F167 AromaticContact CZ-CD2 3.81Å; F124-F167 HydrophobicContact CZ-CD2 3.81Å; F124-F167 HydrophobicContact CZ-CE2 4.1Å; F124-M169 HydrophobicContact CB-CE 3.84Å; F124-M169 HydrophobicContact CD1-CE 4.11Å; F124-M169 HydrophobicContact CG-CE 4.48Å |
| 125 | L | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137.6 | 175.9 | -58.7 | 94.1 | 0 | 0 | 0 | 110.2 | V111 I123 I146 I160 V166 F167 W168 M169 | V111-L125 CarbonylContact O-C 3.46Å; V111-L125 WeakPolarHBondContact O-CA 3.44Å; I123-L125 HydrophobicContact CD1-CD1 4.35Å; I123-L125 HydrophobicContact CG1-CD1 4.08Å; I123-L125 HydrophobicContact CG1-CG 4.47Å; I123-L125 HydrophobicContact CG2-CD1 4.5Å; L125-I146 HydrophobicContact CD2-CG2 3.85Å; L125-I160 HydrophobicContact CD1-CG2 4.12Å; L125-I160 HydrophobicContact CD2-CD1 3.74Å; L125-I160 HydrophobicContact CD2-CG1 4.16Å; L125-I160 HydrophobicContact CD2-CG2 4.4Å; L125-V166 HydrophobicContact CD1-CG1 3.82Å; L125-F167 PolarHBondContact N-O 3.45Å; L125-W168 HydrophobicContact CB-CD2 4.46Å; L125-W168 HydrophobicContact CD1-CE3 4.07Å; L125-W168 HydrophobicContact CD2-CD2 4.26Å; L125-W168 HydrophobicContact CD2-CE3 3.83Å; L125-W168 HydrophobicContact CD2-CH2 4.33Å; L125-W168 HydrophobicContact CD2-CZ3 3.88Å; L125-W168 HydrophobicContact CG-CE3 4.43Å; L125-M169 WeakPolarHBondContact O-CA 3.34Å; L125-M169 VanDerWaalsContact O-CB 3.25Å; L125-M169 WeakPolarHBondContact O-CB 3.33Å; L125-M169 WeakPolarHBondContact O-CE 3.16Å; L125-M169 PolarHBondContact O-N 2.85Å; L125-M169 VanDerWaalsContact O-O 3.08Å |
| 126 | S | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 116.6 | 168.7 | 179 | 0 | 0 | 0 | 0 | 107.9 | A41 L42 Q43 I75 W76 G110 V111 M169 | A41-S126 WeakPolarHBondContact CA-OG 3.1Å; A41-S126 VanDerWaalsContact CB-CB 3.43Å; A41-S126 VanDerWaalsContact CB-OG 3.31Å; A41-S126 WeakPolarHBondContact CB-OG 3.31Å; L42-S126 PolarHBondContact O-OG 3.08Å; Q43-S126 PolarHBondContact NE2-OG 3.13Å; Q43-S126 VanDerWaalsContact NE2-OG 3.11Å; I75-S126 VanDerWaalsContact CG2-O 3.32Å; I75-S126 WeakPolarHBondContact CG2-O 3.47Å; W76-S126 WeakPolarHBondContact O-CB 3.08Å; W76-S126 PolarHBondContact O-OG 3.29Å; G110-S126 WeakPolarHBondContact CA-O 3.33Å; V111-S126 PolarHBondContact N-O 3.37Å; V111-S126 PolarHBondContact O-N 2.88Å; S126-M169 CarbonylContact C-O 3.6Å; S126-M169 WeakPolarHBondContact CA-O 3.39Å |
| 127 | C | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 151.4 | -172.8 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | Q43 G109 F129 W168 M169 G170 D171 L172 | Q43-C127 WeakPolarHBondContact CG-O 3.47Å; G109-C127 CarbonylContact O-C 3.58Å; G109-C127 VanDerWaalsContact O-CA 3.32Å; G109-C127 WeakPolarHBondContact O-CA 3.06Å; C127-F129 HydrophobicContact CB-CD1 3.99Å; C127-F129 HydrophobicContact CB-CE1 3.69Å; C127-W168 PolarHBondContact SG-NE1 3.49Å; C127-W168 VanDerWaalsContact SG-NE1 3.41Å; C127-M169 PolarHBondContact N-O 3.19Å; C127-G170 WeakPolarHBondContact O-CA 3.35Å; C127-D171 PolarHBondContact O-N 3.1Å; C127-D171 VanDerWaalsContact O-N 3.14Å; C127-L172 HydrophobicContact CB-CD2 3.85Å |
| 128 | H | 97.5 | Very high | 94.7 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 102.1 | 168.1 | -168.5 | 158.8 | 0 | 0 | 0 | 107.3 | Q43 E44 I75 K108 G109 D171 N173 | Q43-H128 HydrophobicContact CB-CB 4.37Å; Q43-H128 HydrophobicContact CG-CB 3.95Å; E44-H128 IonicContact OE1-CE1 3.68Å; E44-H128 PolarHBondContact OE1-CE1 3.07Å; E44-H128 VanDerWaalsContact OE1-CE1 3.28Å; E44-H128 IonicContact OE1-NE2 3.64Å; I75-H128 HydrophobicContact CD1-CB 3.63Å; I75-H128 HydrophobicContact CG1-CB 3.74Å; K108-H128 CarbonylContact C-O 3.54Å; K108-H128 VanDerWaalsContact CA-O 3.26Å; K108-H128 WeakPolarHBondContact CA-O 3.39Å; K108-H128 WeakPolarHBondContact CB-O 3.33Å; K108-H128 HydrophobicContact CD-CB 4.39Å; K108-H128 VanDerWaalsContact CD-CD2 3.48Å; K108-H128 WeakPolarHBondContact CD-CD2 3.37Å; K108-H128 WeakPolarHBondContact CD-O 3.5Å; K108-H128 WeakPolarHBondContact CE-CD2 3.27Å; K108-H128 WeakPolarHBondContact CE-NE2 3.35Å; K108-H128 PolarHBondContact NZ-CD2 2.73Å; K108-H128 VanDerWaalsContact NZ-CD2 3.31Å; K108-H128 PolarHBondContact NZ-CE1 3.5Å; K108-H128 PolarHBondContact NZ-NE2 2.8Å; G109-H128 PolarHBondContact N-O 2.97Å; G109-H128 PolarHBondContact O-N 3.15Å; H128-D171 CarbonylContact C-O 3.57Å; H128-D171 WeakPolarHBondContact CA-O 3.24Å; H128-D171 IonicContact NE2-OD2 2.87Å; H128-N173 PolarHBondContact CD2-ND2 3.46Å; H128-N173 PolarHBondContact NE2-ND2 3.31Å |
| 129 | F | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 162.8 | -177.9 | -67.3 | -1.4 | 0 | 0 | 0 | 112.2 | K108 C127 A131 R139 D142 I146 W168 D171 L172 N173 F174 F212 | K108-F129 VanDerWaalsContact CD-O 3.29Å; K108-F129 WeakPolarHBondContact CD-O 3.3Å; K108-F129 WeakPolarHBondContact CE-O 3.23Å; C127-F129 HydrophobicContact CB-CD1 3.99Å; C127-F129 HydrophobicContact CB-CE1 3.69Å; F129-A131 PolarHBondContact O-N 2.91Å; F129-R139 HydrophobicContact CB-CB 4.43Å; F129-R139 HydrophobicContact CB-CG 3.96Å; F129-R139 HydrophobicContact CD2-CB 4.24Å; F129-D142 HydrophobicContact CB-CB 4.45Å; F129-D142 HydrophobicContact CD1-CB 3.97Å; F129-D142 HydrophobicContact CE1-CB 4.37Å; F129-D142 HydrophobicContact CG-CB 4.17Å; F129-I146 HydrophobicContact CD1-CD1 4.35Å; F129-I146 HydrophobicContact CE1-CD1 3.62Å; F129-W168 AromaticContact CE1-CZ2 4Å; F129-W168 HydrophobicContact CE1-CZ2 4Å; F129-W168 AromaticContact CE1-NE1 3.92Å; F129-W168 AromaticContact CZ-CE2 3.93Å; F129-W168 AromaticContact CZ-CZ2 3.72Å; F129-W168 HydrophobicContact CZ-CZ2 3.72Å; F129-W168 AromaticContact CZ-NE1 3.59Å; F129-D171 PolarHBondContact N-O 2.88Å; F129-L172 WeakPolarHBondContact CB-O 3.33Å; F129-L172 HydrophobicContact CD1-CD2 4.23Å; F129-L172 HydrophobicContact CD2-CB 3.91Å; F129-L172 HydrophobicContact CD2-CD2 4.16Å; F129-L172 WeakPolarHBondContact CD2-O 3.41Å; F129-L172 HydrophobicContact CE1-CD2 4.04Å; F129-L172 HydrophobicContact CE2-CB 4.23Å; F129-L172 HydrophobicContact CE2-CD2 4Å; F129-L172 HydrophobicContact CE2-CG 4.49Å; F129-L172 HydrophobicContact CG-CB 4.43Å; F129-L172 HydrophobicContact CG-CD2 4.28Å; F129-L172 HydrophobicContact CZ-CD2 3.94Å; F129-N173 HydrophobicContact CB-CB 4.41Å; F129-N173 WeakPolarHBondContact O-CB 3.4Å; F129-N173 PolarHBondContact O-ND2 2.67Å; F129-N173 VanDerWaalsContact O-ND2 3.1Å; F129-F174 AromaticContact CD2-CE2 3.76Å; F129-F174 HydrophobicContact CD2-CE2 3.76Å; F129-F174 HydrophobicContact CD2-CZ 4.09Å; F129-F174 AromaticContact CE2-CE2 3.92Å; F129-F174 HydrophobicContact CE2-CE2 3.92Å; F129-F174 HydrophobicContact CE2-CZ 4.27Å; F129-F212 HydrophobicContact CE2-CE2 4.29Å; F129-F212 HydrophobicContact CE2-CZ 4.3Å; F129-F212 HydrophobicContact CZ-CZ 4.17Å |
| 130 | T | 95.2 | Very high | 95.4 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 17% | 0.166 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 126.9 | -175.1 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | N135 D138 R139 D142 | T130-N135 HydrophobicContact CG2-CB 3.83Å; T130-D138 HydrophobicContact CG2-CB 3.72Å; T130-R139 WeakPolarHBondContact O-CD 3.34Å; T130-R139 WeakPolarHBondContact O-CG 3.28Å; T130-R139 PolarHBondContact O-NH1 3Å; T130-D142 VanDerWaalsContact CB-OD2 3.25Å; T130-D142 WeakPolarHBondContact CB-OD2 3.41Å; T130-D142 PolarHBondContact N-OD2 2.9Å; T130-D142 PolarHBondContact OG1-OD1 3.35Å; T130-D142 PolarHBondContact OG1-OD2 2.87Å |
| 131 | A | 93.7 | Very high | 95.5 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 18% | 0.182 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -79.4 | 173.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F129 N135 N173 | F129-A131 PolarHBondContact O-N 2.91Å; A131-N135 PolarHBondContact O-ND2 3.46Å; A131-N173 WeakPolarHBondContact CA-OD1 3.47Å; A131-N173 WeakPolarHBondContact CB-OD1 3.38Å |
| 132 | H | 91.6 | Very high | 95.5 | Very high | 76 Ų | 76 | 33.8 Ų | 33.8 | 35% | 0.352 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 73.9 | 154.5 | -179.4 | -44.7 | -28.9 | 0 | 0 | 0 | 114.5 | E134 R139 R242 | H132-E134 VanDerWaalsContact CB-CD 3.48Å; H132-E134 HydrophobicContact CB-CG 4.36Å; H132-E134 WeakPolarHBondContact CB-OE1 3.44Å; H132-E134 WeakPolarHBondContact CB-OE2 3.2Å; H132-R139 PolarHBondContact O-NH1 3.24Å; H132-R139 PolarHBondContact O-NH2 3.04Å; H132-R242 PolarHBondContact CE1-NH2 2.91Å; H132-R242 PolarHBondContact ND1-NH2 2.92Å |
| 133 | R | 92 | Very high | 95.5 | Very high | 76 Ų | 76 | 35.4 Ų | 35.4 | 29% | 0.287 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -74.2 | -40.2 | -162.5 | 175.9 | 168 | 155.9 | -176.2 | -21.3 | 111.9 | N135 R139 R175 I176 D177 L179 Q201 | R133-N135 VanDerWaalsContact C-N 3.32Å; R133-N135 PolarHBondContact O-N 3.21Å; R133-R139 PolarHBondContact O-NH2 2.78Å; R133-R139 VanDerWaalsContact O-NH2 3.11Å; R133-R175 HydrophobicContact CB-CB 4.04Å; R133-R175 HydrophobicContact CB-CG 3.98Å; R133-R175 HydrophobicContact CG-CB 4.01Å; R133-R175 HydrophobicContact CG-CG 4.48Å; R133-I176 WeakPolarHBondContact CD-O 3.44Å; R133-I176 PolarHBondContact NE-O 3.04Å; R133-I176 PolarHBondContact NH1-O 3.37Å; R133-D177 IonicContact CZ-OD1 2.7Å; R133-D177 VanDerWaalsContact CZ-OD1 3.26Å; R133-D177 IonicContact NE-OD1 3.14Å; R133-D177 PolarHBondContact NE-OD1 2.93Å; R133-D177 IonicContact NH2-OD1 3.95Å; R133-D177 PolarHBondContact NH2-OD1 2.87Å; R133-D177 VanDerWaalsContact NH2-OD1 3.14Å; R133-L179 PolarHBondContact NH1-O 3.45Å; R133-Q201 PolarHBondContact O-NE2 3.14Å |
| 134 | E | 94.1 | Very high | 95.3 | Very high | 133 Ų | 133 | 38.7 Ų | 38.7 | 62% | 0.621 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -56.2 | -35.2 | 176.6 | 54.8 | -88.5 | -148.4 | 0 | 0 | 114.3 | H132 K136 | H132-E134 VanDerWaalsContact CB-CD 3.48Å; H132-E134 HydrophobicContact CB-CG 4.36Å; H132-E134 WeakPolarHBondContact CB-OE1 3.44Å; H132-E134 WeakPolarHBondContact CB-OE2 3.2Å; E134-K136 PolarHBondContact O-N 3.01Å |
| 135 | N | 94.2 | Very high | 95 | Very high | 46 Ų | 46 | 41.2 Ų | 41.2 | 25% | 0.246 | 20% | 0.202 | C | C | . | . | trans | -81 | 41 | -170.4 | -61.8 | -20.3 | 0 | 0 | 0 | 113.6 | T130 A131 R133 Q137 D138 R139 | T130-N135 HydrophobicContact CG2-CB 3.83Å; A131-N135 PolarHBondContact O-ND2 3.46Å; R133-N135 VanDerWaalsContact C-N 3.32Å; R133-N135 PolarHBondContact O-N 3.21Å; N135-Q137 VanDerWaalsContact C-N 3.28Å; N135-Q137 PolarHBondContact O-N 3.27Å; N135-D138 HydrophobicContact CB-CB 4.25Å; N135-D138 WeakPolarHBondContact CB-OD2 3.47Å; N135-D138 PolarHBondContact O-N 3.42Å; N135-R139 PolarHBondContact O-N 2.84Å; N135-R139 PolarHBondContact O-NH1 3.09Å | ||
| 136 | K | 94 | Very high | 94.8 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 30% | 0.304 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.6 | -37.5 | 179.9 | -172.8 | -175.4 | 177.4 | -173.5 | 0 | 111.8 | E134 L140 M205 | E134-K136 PolarHBondContact O-N 3.01Å; K136-L140 PolarHBondContact O-N 3.48Å; K136-M205 HydrophobicContact CD-CG 4.36Å; K136-M205 HydrophobicContact CD-SD 4.03Å; K136-M205 WeakPolarHBondContact CE-SD 3.37Å; K136-M205 HydrophobicContact CG-CE 4.06Å; K136-M205 HydrophobicContact CG-CG 4.39Å; K136-M205 HydrophobicContact CG-SD 3.43Å; K136-M205 WeakPolarHBondContact CG-SD 3.49Å |
| 137 | Q | 94.4 | Very high | 94.5 | Very high | 111 Ų | 111 | 43.1 Ų | 43.1 | 52% | 0.519 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -72.3 | -39.8 | 177.6 | -177.1 | 58.7 | 48.3 | 0 | 0 | 112.1 | N135 R139 L140 N141 | N135-Q137 VanDerWaalsContact C-N 3.28Å; N135-Q137 PolarHBondContact O-N 3.27Å; Q137-R139 VanDerWaalsContact C-N 3.28Å; Q137-R139 PolarHBondContact O-N 3.15Å; Q137-L140 WeakPolarHBondContact O-CA 3.46Å; Q137-L140 WeakPolarHBondContact O-CB 3.4Å; Q137-L140 PolarHBondContact O-N 3.34Å; Q137-N141 PolarHBondContact NE2-OD1 3.45Å; Q137-N141 VanDerWaalsContact O-CG 3.26Å; Q137-N141 PolarHBondContact O-N 3.01Å; Q137-N141 PolarHBondContact O-OD1 3.01Å |
| 138 | D | 94 | Very high | 94.1 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 33% | 0.332 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.6 | -34.6 | -179.3 | -53.7 | -58 | 0 | 0 | 0 | 111.6 | T130 N135 L140 N141 D142 | T130-D138 HydrophobicContact CG2-CB 3.72Å; N135-D138 HydrophobicContact CB-CB 4.25Å; N135-D138 WeakPolarHBondContact CB-OD2 3.47Å; N135-D138 PolarHBondContact O-N 3.42Å; D138-L140 VanDerWaalsContact C-N 3.28Å; D138-L140 PolarHBondContact O-N 2.93Å; D138-N141 CarbonylContact O-C 3.55Å; D138-N141 WeakPolarHBondContact O-CB 3.29Å; D138-N141 PolarHBondContact O-N 3.01Å; D138-N141 VanDerWaalsContact O-N 3.15Å; D138-D142 VanDerWaalsContact O-CG 3.24Å; D138-D142 PolarHBondContact O-N 2.94Å |
| 139 | R | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.3 | -27.6 | 170.8 | -65.8 | -169.5 | -83.5 | -71.8 | 2.4 | 114.1 | F129 T130 H132 R133 N135 Q137 Y143 L172 F174 | F129-R139 HydrophobicContact CB-CB 4.43Å; F129-R139 HydrophobicContact CB-CG 3.96Å; F129-R139 HydrophobicContact CD2-CB 4.24Å; T130-R139 WeakPolarHBondContact O-CD 3.34Å; T130-R139 WeakPolarHBondContact O-CG 3.28Å; T130-R139 PolarHBondContact O-NH1 3Å; H132-R139 PolarHBondContact O-NH1 3.24Å; H132-R139 PolarHBondContact O-NH2 3.04Å; R133-R139 PolarHBondContact O-NH2 2.78Å; R133-R139 VanDerWaalsContact O-NH2 3.11Å; N135-R139 PolarHBondContact O-N 2.84Å; N135-R139 PolarHBondContact O-NH1 3.09Å; Q137-R139 VanDerWaalsContact C-N 3.28Å; Q137-R139 PolarHBondContact O-N 3.15Å; R139-Y143 PolarHBondContact O-N 3.26Å; R139-L172 WeakPolarHBondContact CD-O 3.19Å; R139-F174 HydrophobicContact CB-CE1 3.68Å; R139-F174 HydrophobicContact CB-CZ 3.71Å; R139-F174 HydrophobicContact CG-CE1 4.34Å |
| 140 | L | 95.8 | Very high | 93.7 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.4 | -40.4 | 170.9 | 178.4 | 56.7 | 0 | 0 | 0 | 110.6 | K136 Q137 D138 Y143 I144 M205 L210 L211 | K136-L140 PolarHBondContact O-N 3.48Å; Q137-L140 WeakPolarHBondContact O-CA 3.46Å; Q137-L140 WeakPolarHBondContact O-CB 3.4Å; Q137-L140 PolarHBondContact O-N 3.34Å; D138-L140 VanDerWaalsContact C-N 3.28Å; D138-L140 PolarHBondContact O-N 2.93Å; L140-Y143 HydrophobicContact CD1-CD1 4.23Å; L140-Y143 PolarHBondContact O-N 2.81Å; L140-I144 HydrophobicContact CD1-CD1 4.05Å; L140-I144 HydrophobicContact CD1-CG1 4.32Å; L140-I144 HydrophobicContact CG-CD1 3.96Å; L140-I144 VanDerWaalsContact O-CG1 3.3Å; L140-I144 WeakPolarHBondContact O-CG1 3.34Å; L140-I144 PolarHBondContact O-N 2.88Å; L140-M205 HydrophobicContact CB-CE 3.86Å; L140-M205 HydrophobicContact CD2-CE 4.45Å; L140-L210 HydrophobicContact CD1-CB 4.44Å; L140-L210 VanDerWaalsContact CD1-O 3.25Å; L140-L210 WeakPolarHBondContact CD1-O 3.4Å; L140-L210 HydrophobicContact CD2-CB 4.35Å; L140-L211 HydrophobicContact CD1-CB 3.99Å; L140-L211 HydrophobicContact CD1-CD2 4.11Å; L140-L211 HydrophobicContact CD1-CG 4.19Å |
| 141 | N | 93.9 | Very high | 93.5 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 174.3 | -54.7 | -18.4 | 0 | 0 | 0 | 110.6 | Q137 D138 Y143 I144 D145 | Q137-N141 PolarHBondContact NE2-OD1 3.45Å; Q137-N141 VanDerWaalsContact O-CG 3.26Å; Q137-N141 PolarHBondContact O-N 3.01Å; Q137-N141 PolarHBondContact O-OD1 3.01Å; D138-N141 CarbonylContact O-C 3.55Å; D138-N141 WeakPolarHBondContact O-CB 3.29Å; D138-N141 PolarHBondContact O-N 3.01Å; D138-N141 VanDerWaalsContact O-N 3.15Å; N141-Y143 VanDerWaalsContact C-N 3.31Å; N141-Y143 PolarHBondContact O-N 3.23Å; N141-I144 PolarHBondContact O-N 3.06Å; N141-I144 VanDerWaalsContact O-N 3.13Å; N141-D145 WeakPolarHBondContact O-CB 3.5Å; N141-D145 PolarHBondContact O-N 3.25Å |
| 142 | D | 94.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.3 | -46.3 | 174.9 | -69.5 | -46.5 | 0 | 0 | 0 | 111.9 | S99 F129 T130 D138 I146 | S99-D142 VanDerWaalsContact CB-OD1 3.22Å; S99-D142 WeakPolarHBondContact CB-OD1 3.44Å; S99-D142 PolarHBondContact OG-OD1 3.45Å; F129-D142 HydrophobicContact CB-CB 4.45Å; F129-D142 HydrophobicContact CD1-CB 3.97Å; F129-D142 HydrophobicContact CE1-CB 4.37Å; F129-D142 HydrophobicContact CG-CB 4.17Å; T130-D142 VanDerWaalsContact CB-OD2 3.25Å; T130-D142 WeakPolarHBondContact CB-OD2 3.41Å; T130-D142 PolarHBondContact N-OD2 2.9Å; T130-D142 PolarHBondContact OG1-OD1 3.35Å; T130-D142 PolarHBondContact OG1-OD2 2.87Å; D138-D142 VanDerWaalsContact O-CG 3.24Å; D138-D142 PolarHBondContact O-N 2.94Å; D142-I146 VanDerWaalsContact O-CD1 3.24Å; D142-I146 WeakPolarHBondContact O-CD1 3.42Å; D142-I146 WeakPolarHBondContact O-CG1 3.39Å; D142-I146 PolarHBondContact O-N 2.93Å; D142-I146 VanDerWaalsContact O-N 3.11Å |
| 143 | Y | 96.2 | Very high | 93 | Very high | 33 Ų | 33 | 51.5 Ų | 51.5 | 13% | 0.129 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 176.8 | 165.4 | -98.3 | 0 | 0 | 0 | 112.2 | R139 L140 N141 I146 I147 W168 L211 F212 | R139-Y143 PolarHBondContact O-N 3.26Å; L140-Y143 HydrophobicContact CD1-CD1 4.23Å; L140-Y143 PolarHBondContact O-N 2.81Å; N141-Y143 VanDerWaalsContact C-N 3.31Å; N141-Y143 PolarHBondContact O-N 3.23Å; Y143-I146 PolarHBondContact O-N 3.27Å; Y143-I147 HydrophobicContact CD2-CG1 4.4Å; Y143-I147 HydrophobicContact CE1-CG1 4.41Å; Y143-I147 HydrophobicContact CE2-CD1 4.34Å; Y143-I147 HydrophobicContact CE2-CG1 3.99Å; Y143-I147 WeakPolarHBondContact O-CG1 3.19Å; Y143-I147 PolarHBondContact O-N 2.86Å; Y143-I147 VanDerWaalsContact O-N 3.11Å; Y143-W168 AromaticContact CD2-CH2 3.81Å; Y143-W168 HydrophobicContact CD2-CH2 3.81Å; Y143-W168 AromaticContact CD2-CZ2 3.98Å; Y143-W168 HydrophobicContact CD2-CZ2 3.98Å; Y143-W168 HydrophobicContact CD2-CZ3 4.4Å; Y143-W168 HydrophobicContact CE2-CH2 4.19Å; Y143-W168 HydrophobicContact CE2-CZ3 4.35Å; Y143-L211 HydrophobicContact CD1-CB 3.56Å; Y143-L211 HydrophobicContact CD2-CB 4.4Å; Y143-L211 HydrophobicContact CE1-CB 3.62Å; Y143-L211 HydrophobicContact CE2-CB 4.44Å; Y143-L211 HydrophobicContact CG-CB 3.97Å; Y143-F212 HydrophobicContact CD2-CD1 4.07Å; Y143-F212 AromaticContact CD2-CE1 3.6Å; Y143-F212 HydrophobicContact CD2-CE1 3.6Å; Y143-F212 HydrophobicContact CD2-CE2 4.14Å; Y143-F212 AromaticContact CD2-CZ 3.63Å; Y143-F212 HydrophobicContact CD2-CZ 3.63Å; Y143-F212 AromaticContact CE2-CD1 3.52Å; Y143-F212 HydrophobicContact CE2-CD1 3.52Å; Y143-F212 AromaticContact CE2-CE1 3.45Å; Y143-F212 HydrophobicContact CE2-CE1 3.45Å; Y143-F212 VanDerWaalsContact CE2-CE1 3.45Å; Y143-F212 HydrophobicContact CE2-CE2 4.5Å; Y143-F212 HydrophobicContact CE2-CG 4.08Å; Y143-F212 AromaticContact CE2-CZ 3.97Å; Y143-F212 HydrophobicContact CE2-CZ 3.97Å; Y143-F212 PolarHBondContact OH-N 2.88Å |
| 144 | I | 93.8 | Very high | 92.4 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 35% | 0.354 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.9 | -47.6 | 178.2 | -68.7 | 165.8 | 0 | 0 | 0 | 110.3 | L140 N141 I146 I147 D148 | L140-I144 HydrophobicContact CD1-CD1 4.05Å; L140-I144 HydrophobicContact CD1-CG1 4.32Å; L140-I144 HydrophobicContact CG-CD1 3.96Å; L140-I144 VanDerWaalsContact O-CG1 3.3Å; L140-I144 WeakPolarHBondContact O-CG1 3.34Å; L140-I144 PolarHBondContact O-N 2.88Å; N141-I144 PolarHBondContact O-N 3.06Å; N141-I144 VanDerWaalsContact O-N 3.13Å; I144-I146 VanDerWaalsContact C-N 3.27Å; I144-I146 PolarHBondContact O-N 3.15Å; I144-I147 PolarHBondContact O-N 3.45Å; I144-I147 VanDerWaalsContact O-N 3.14Å; I144-D148 WeakPolarHBondContact O-CB 3.18Å; I144-D148 PolarHBondContact O-N 2.85Å |
| 145 | D | 92.5 | Very high | 91.6 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.3 | -35.2 | 179.5 | -78.5 | -32.1 | 0 | 0 | 0 | 112.1 | T97 N141 H149 | T97-D145 HydrophobicContact CG2-CB 4.02Å; T97-D145 WeakPolarHBondContact CG2-O 3.22Å; N141-D145 WeakPolarHBondContact O-CB 3.5Å; N141-D145 PolarHBondContact O-N 3.25Å; D145-H149 VanDerWaalsContact O-CB 3.29Å; D145-H149 WeakPolarHBondContact O-CB 3.33Å; D145-H149 PolarHBondContact O-N 3.23Å; D145-H149 PolarHBondContact O-ND1 3.38Å; D145-H149 IonicContact OD1-CE1 2.7Å; D145-H149 PolarHBondContact OD1-CE1 2.91Å; D145-H149 IonicContact OD1-ND1 3.53Å |
| 146 | I | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.5 | -42.7 | 176.1 | -67.1 | 158.9 | 0 | 0 | 0 | 111 | T97 L125 F129 D142 Y143 I144 Q150 I160 W168 | T97-I146 HydrophobicContact CG2-CG1 4.13Å; L125-I146 HydrophobicContact CD2-CG2 3.85Å; F129-I146 HydrophobicContact CD1-CD1 4.35Å; F129-I146 HydrophobicContact CE1-CD1 3.62Å; D142-I146 VanDerWaalsContact O-CD1 3.24Å; D142-I146 WeakPolarHBondContact O-CD1 3.42Å; D142-I146 WeakPolarHBondContact O-CG1 3.39Å; D142-I146 PolarHBondContact O-N 2.93Å; D142-I146 VanDerWaalsContact O-N 3.11Å; Y143-I146 PolarHBondContact O-N 3.27Å; I144-I146 VanDerWaalsContact C-N 3.27Å; I144-I146 PolarHBondContact O-N 3.15Å; I146-Q150 WeakPolarHBondContact O-CG 3.44Å; I146-Q150 PolarHBondContact O-N 3.21Å; I146-I160 HydrophobicContact CG2-CD1 3.84Å; I146-I160 VanDerWaalsContact O-CD1 3.25Å; I146-I160 WeakPolarHBondContact O-CD1 3.39Å; I146-W168 HydrophobicContact CB-CH2 3.74Å; I146-W168 HydrophobicContact CB-CZ2 4.06Å; I146-W168 HydrophobicContact CD1-CH2 4.47Å; I146-W168 HydrophobicContact CD1-CZ2 3.91Å; I146-W168 HydrophobicContact CG2-CH2 3.33Å; I146-W168 HydrophobicContact CG2-CZ2 3.77Å; I146-W168 HydrophobicContact CG2-CZ3 4.06Å |
| 147 | I | 93 | Very high | 90.3 | Very high | 39 Ų | 39 | 47 Ų | 47 | 20% | 0.2 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 176 | -69 | -70.6 | 0 | 0 | 0 | 111.8 | Y143 I144 I160 I161 W168 | Y143-I147 HydrophobicContact CD2-CG1 4.4Å; Y143-I147 HydrophobicContact CE1-CG1 4.41Å; Y143-I147 HydrophobicContact CE2-CD1 4.34Å; Y143-I147 HydrophobicContact CE2-CG1 3.99Å; Y143-I147 WeakPolarHBondContact O-CG1 3.19Å; Y143-I147 PolarHBondContact O-N 2.86Å; Y143-I147 VanDerWaalsContact O-N 3.11Å; I144-I147 PolarHBondContact O-N 3.45Å; I144-I147 VanDerWaalsContact O-N 3.14Å; I147-I160 HydrophobicContact CD1-CD1 4.43Å; I147-I160 HydrophobicContact CD1-CG2 4.48Å; I147-I161 HydrophobicContact CD1-CG2 4.03Å; I147-W168 HydrophobicContact CD1-CH2 4.24Å; I147-W168 HydrophobicContact CD1-CZ3 3.75Å; I147-W168 HydrophobicContact CG1-CH2 4.19Å; I147-W168 HydrophobicContact CG1-CZ3 4.21Å |
| 148 | D | 90 | Very high | 90 | Very high | 59 Ų | 59 | 42.6 Ų | 42.6 | 32% | 0.316 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -79.3 | -24.7 | -172.3 | -92.9 | -9.2 | 0 | 0 | 0 | 114.7 | I144 R279 | I144-D148 WeakPolarHBondContact O-CB 3.18Å; I144-D148 PolarHBondContact O-N 2.85Å; D148-R279 IonicContact OD1-CZ 2.79Å; D148-R279 IonicContact OD1-NH1 3Å; D148-R279 PolarHBondContact OD1-NH1 2.8Å; D148-R279 IonicContact OD1-NH2 2.67Å; D148-R279 IonicContact OD2-CZ 3.94Å; D148-R279 IonicContact OD2-NH1 3.79Å; D148-R279 PolarHBondContact OD2-NH1 3.44Å; D148-R279 IonicContact OD2-NH2 3.85Å; D148-R279 PolarHBondContact OD2-NH2 2.87Å |
| 149 | H | 90.3 | Very high | 89.9 | Confident | 112 Ų | 112 | 40.2 Ų | 40.2 | 52% | 0.519 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -108 | -19.7 | -171.8 | -62.1 | 110.1 | 0 | 0 | 0 | 115.4 | T97 D145 S151 | T97-H149 HydrophobicContact CG2-CB 4.39Å; D145-H149 VanDerWaalsContact O-CB 3.29Å; D145-H149 WeakPolarHBondContact O-CB 3.33Å; D145-H149 PolarHBondContact O-N 3.23Å; D145-H149 PolarHBondContact O-ND1 3.38Å; D145-H149 IonicContact OD1-CE1 2.7Å; D145-H149 PolarHBondContact OD1-CE1 2.91Å; D145-H149 IonicContact OD1-ND1 3.53Å; H149-S151 PolarHBondContact O-N 2.65Å |
| 150 | Q | 93.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -89.6 | 108.2 | -179 | -58.5 | -160.9 | 13.8 | 0 | 0 | 112.2 | E95 T97 G110 S112 I146 F152 I160 | E95-Q150 HydrophobicContact CB-CB 4.07Å; E95-Q150 HydrophobicContact CB-CG 4.1Å; T97-Q150 VanDerWaalsContact N-NE2 3.19Å; T97-Q150 WeakPolarHBondContact OG1-CG 3.4Å; T97-Q150 PolarHBondContact OG1-NE2 3.27Å; T97-Q150 VanDerWaalsContact OG1-NE2 3.08Å; G110-Q150 PolarHBondContact O-NE2 3.39Å; S112-Q150 PolarHBondContact OG-OE1 2.63Å; I146-Q150 WeakPolarHBondContact O-CG 3.44Å; I146-Q150 PolarHBondContact O-N 3.21Å; Q150-F152 HydrophobicContact CB-CZ 4.4Å; Q150-I160 HydrophobicContact CB-CD1 3.87Å; Q150-I160 HydrophobicContact CB-CG1 4.13Å; Q150-I160 HydrophobicContact CG-CD1 4.37Å | ||
| 151 | S | 91.8 | Very high | 89.7 | Confident | 50 Ų | 50 | 40.8 Ų | 40.8 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | B | Isolated β-bridge | trans | -129 | 140.4 | 176.1 | 72 | 0 | 0 | 0 | 0 | 112.1 | H149 N158 | H149-S151 PolarHBondContact O-N 2.65Å; S151-N158 CarbonylContact C-O 3.51Å; S151-N158 WeakPolarHBondContact CA-O 3.46Å; S151-N158 WeakPolarHBondContact CB-O 3.3Å |
| 152 | F | 90.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.013 | 19% | 0.188 | C | C | . | . | trans | -106.3 | 162.8 | -175.3 | -52.9 | -78.3 | 0 | 0 | 0 | 110 | E93 E95 S112 R114 I123 Q150 N158 I160 H163 R280 | E93-F152 HydrophobicContact CB-CD1 3.98Å; E95-F152 HydrophobicContact CB-CE1 3.91Å; E95-F152 HydrophobicContact CB-CZ 4.25Å; E95-F152 HydrophobicContact CG-CD1 3.98Å; E95-F152 HydrophobicContact CG-CE1 3.66Å; E95-F152 HydrophobicContact CG-CZ 4.31Å; S112-F152 WeakPolarHBondContact OG-CZ 3.41Å; R114-F152 HydrophobicContact CG-CD1 3.54Å; R114-F152 HydrophobicContact CG-CE1 3.74Å; R114-F152 HydrophobicContact CG-CG 3.99Å; R114-F152 HydrophobicContact CG-CZ 4.38Å; I123-F152 HydrophobicContact CD1-CE1 4.41Å; I123-F152 HydrophobicContact CD1-CE2 3.64Å; I123-F152 HydrophobicContact CD1-CZ 3.44Å; I123-F152 VanDerWaalsContact CD1-CZ 3.44Å; Q150-F152 HydrophobicContact CB-CZ 4.4Å; F152-N158 PolarHBondContact N-O 2.83Å; F152-I160 HydrophobicContact CE2-CG1 4.34Å; F152-H163 AromaticContact CD2-CE1 3.55Å; F152-H163 AromaticContact CE2-CE1 3.68Å; F152-R280 PolarHBondContact O-NH1 3.2Å | ||
| 153 | R | 84.8 | Confident | 89.6 | Confident | 80 Ų | 80 | 37.6 Ų | 37.6 | 30% | 0.302 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -73 | -38.6 | -172.5 | -60.3 | 166.3 | -58.5 | 172.4 | 6.6 | 112.4 | E93 E155 R280 N511 K512 H513 | E93-R153 IonicContact OE1-CZ 3.38Å; E93-R153 IonicContact OE1-NE 2.84Å; E93-R153 PolarHBondContact OE1-NE 3.25Å; E93-R153 IonicContact OE1-NH2 3.01Å; E93-R153 PolarHBondContact OE1-NH2 3.25Å; E93-R153 WeakPolarHBondContact OE2-CG 3.24Å; E93-R153 IonicContact OE2-CZ 3.61Å; E93-R153 PolarHBondContact OE2-N 3.42Å; E93-R153 IonicContact OE2-NE 2.94Å; E93-R153 PolarHBondContact OE2-NE 2.94Å; E93-R153 VanDerWaalsContact OE2-NE 3.14Å; E93-R153 IonicContact OE2-NH2 4Å; R153-E155 PolarHBondContact O-N 3.38Å; R153-R280 PolarHBondContact O-NH1 2.88Å; R153-N511 PolarHBondContact NH1-O 3.33Å; R153-K512 PolarHBondContact NH2-O 3.36Å; R153-H513 PolarHBondContact NH1-CD2 3.04Å |
| 154 | D | 79.9 | Confident | 89.4 | Confident | 33 Ų | 33 | 36 Ų | 36 | 18% | 0.176 | 18% | 0.181 | C | C | . | . | trans | -45.1 | 128.8 | 175.6 | -159.8 | -21.7 | 0 | 0 | 0 | 111.4 | R114 D156 N158 | R114-D154 IonicContact CZ-OD2 3.38Å; R114-D154 VanDerWaalsContact CZ-OD2 3.32Å; R114-D154 IonicContact NH1-OD2 3.98Å; R114-D154 PolarHBondContact NH1-OD2 3Å; R114-D154 VanDerWaalsContact NH2-CB 3.3Å; R114-D154 IonicContact NH2-OD2 2.81Å; R114-D154 PolarHBondContact NH2-OD2 2.81Å; D154-D156 PolarHBondContact OD1-N 3.11Å; D154-N158 WeakPolarHBondContact O-CA 3.22Å; D154-N158 WeakPolarHBondContact O-CB 3.25Å | ||
| 155 | E | 75.7 | Confident | 89.6 | Confident | 141 Ų | 141 | 32.7 Ų | 32.7 | 66% | 0.659 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -89.2 | -21.6 | -171.6 | -63.6 | -169.6 | 166.9 | 0 | 0 | 112.5 | R153 V283 | R153-E155 PolarHBondContact O-N 3.38Å; E155-V283 VanDerWaalsContact O-CG2 3.32Å; E155-V283 WeakPolarHBondContact O-CG2 3.44Å |
| 156 | D | 75 | Confident | 89.8 | Confident | 56 Ų | 56 | 30.1 Ų | 30.1 | 30% | 0.299 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -85.4 | -25.3 | 176.4 | -64.3 | -2.4 | 0 | 0 | 0 | 111.9 | D154 H263 | D154-D156 PolarHBondContact OD1-N 3.11Å; D156-H263 IonicContact OD1-CE1 2.7Å; D156-H263 PolarHBondContact OD1-CE1 2.98Å; D156-H263 IonicContact OD1-CG 3.97Å; D156-H263 IonicContact OD1-ND1 3.47Å; D156-H263 PolarHBondContact OD1-ND1 3.13Å; D156-H263 IonicContact OD1-NE2 3.25Å; D156-H263 IonicContact OD2-ND1 3.6Å |
| 157 | V | 86.1 | Confident | 90 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -138.5 | 72.6 | -175.7 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | R114 N121 D162 H163 A259 | R114-V157 VanDerWaalsContact NH2-CB 3.35Å; R114-V157 PolarHBondContact NH2-O 2.83Å; N121-V157 HydrophobicContact CB-CG1 4.11Å; N121-V157 HydrophobicContact CB-CG2 4.17Å; V157-D162 HydrophobicContact CB-CB 4.38Å; V157-D162 HydrophobicContact CG1-CB 4.07Å; V157-H163 HydrophobicContact CG1-CB 4.09Å; V157-H163 VanDerWaalsContact CG1-CD2 3.47Å; V157-H163 WeakPolarHBondContact CG1-CD2 3.49Å; V157-H163 VanDerWaalsContact CG1-CG 3.45Å; V157-A259 HydrophobicContact CG2-CB 3.33Å |
| 158 | N | 87.5 | Confident | 90.3 | Very high | 17 Ų | 17 | 28.3 Ų | 28.3 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | trans | -96.3 | -17 | -161.7 | 83.9 | 33.5 | 0 | 0 | 0 | 115.5 | S151 F152 D154 L281 V283 | S151-N158 CarbonylContact C-O 3.51Å; S151-N158 WeakPolarHBondContact CA-O 3.46Å; S151-N158 WeakPolarHBondContact CB-O 3.3Å; F152-N158 PolarHBondContact N-O 2.83Å; D154-N158 WeakPolarHBondContact O-CA 3.22Å; D154-N158 WeakPolarHBondContact O-CB 3.25Å; N158-L281 PolarHBondContact ND2-O 2.78Å; N158-L281 PolarHBondContact OD1-O 3.02Å; N158-V283 HydrophobicContact CB-CG2 4.29Å; N158-V283 WeakPolarHBondContact ND2-CG2 3.33Å | ||
| 159 | V | 92.7 | Very high | 90.7 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 8% | 0.079 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -132.8 | 169.7 | 174.7 | -75.5 | 0 | 0 | 0 | 0 | 111.1 | I161 D162 H163 P282 | V159-I161 VanDerWaalsContact C-N 3.28Å; V159-I161 HydrophobicContact CG2-CG1 4.25Å; V159-I161 PolarHBondContact O-N 3.28Å; V159-D162 WeakPolarHBondContact CG2-OD2 3.48Å; V159-D162 PolarHBondContact O-N 2.7Å; V159-D162 VanDerWaalsContact O-N 3.11Å; V159-H163 PolarHBondContact O-CE1 2.91Å; V159-H163 VanDerWaalsContact O-CE1 3.27Å; V159-H163 PolarHBondContact O-ND1 2.9Å; V159-P282 HydrophobicContact CG2-CB 4.04Å; V159-P282 HydrophobicContact CG2-CG 3.96Å |
| 160 | I | 94.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -45.9 | -51.2 | -179.4 | -65.7 | 160 | 0 | 0 | 0 | 111.7 | I123 L125 I146 I147 Q150 F152 D162 H163 V166 W168 | I123-I160 HydrophobicContact CD1-CB 4.39Å; I123-I160 HydrophobicContact CD1-CG1 3.93Å; I123-I160 HydrophobicContact CD1-CG2 4.45Å; L125-I160 HydrophobicContact CD1-CG2 4.12Å; L125-I160 HydrophobicContact CD2-CD1 3.74Å; L125-I160 HydrophobicContact CD2-CG1 4.16Å; L125-I160 HydrophobicContact CD2-CG2 4.4Å; I146-I160 HydrophobicContact CG2-CD1 3.84Å; I146-I160 VanDerWaalsContact O-CD1 3.25Å; I146-I160 WeakPolarHBondContact O-CD1 3.39Å; I147-I160 HydrophobicContact CD1-CD1 4.43Å; I147-I160 HydrophobicContact CD1-CG2 4.48Å; Q150-I160 HydrophobicContact CB-CD1 3.87Å; Q150-I160 HydrophobicContact CB-CG1 4.13Å; Q150-I160 HydrophobicContact CG-CD1 4.37Å; F152-I160 HydrophobicContact CE2-CG1 4.34Å; I160-D162 VanDerWaalsContact C-N 3.29Å; I160-D162 PolarHBondContact O-N 3.11Å; I160-H163 PolarHBondContact O-N 2.8Å; I160-H163 PolarHBondContact O-ND1 3.41Å; I160-V166 HydrophobicContact CG2-CG1 3.81Å; I160-V166 WeakPolarHBondContact O-CG2 3.4Å; I160-W168 HydrophobicContact CD1-CZ3 4.39Å; I160-W168 HydrophobicContact CG2-CZ3 4.46Å |
| 161 | I | 92.9 | Very high | 91.4 | Very high | 27 Ų | 27 | 20.2 Ų | 20.2 | 14% | 0.138 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -76.5 | -5.3 | -172.4 | 72.5 | 170.6 | 0 | 0 | 0 | 115.2 | I147 V159 M253 H255 P282 | I147-I161 HydrophobicContact CD1-CG2 4.03Å; V159-I161 VanDerWaalsContact C-N 3.28Å; V159-I161 HydrophobicContact CG2-CG1 4.25Å; V159-I161 PolarHBondContact O-N 3.28Å; I161-M253 HydrophobicContact CB-CE 4.14Å; I161-M253 WeakPolarHBondContact O-CE 3.32Å; I161-H255 PolarHBondContact O-NE2 2.89Å; I161-P282 HydrophobicContact CD1-CB 4.02Å; I161-P282 HydrophobicContact CD1-CG 3.7Å; I161-P282 HydrophobicContact CG1-CB 4.08Å; I161-P282 HydrophobicContact CG1-CG 3.99Å |
| 162 | D | 91.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -84.4 | -9.8 | 174.3 | -71.5 | -39.7 | 0 | 0 | 0 | 113 | V157 V159 I160 P282 V283 R284 | V157-D162 HydrophobicContact CB-CB 4.38Å; V157-D162 HydrophobicContact CG1-CB 4.07Å; V159-D162 WeakPolarHBondContact CG2-OD2 3.48Å; V159-D162 PolarHBondContact O-N 2.7Å; V159-D162 VanDerWaalsContact O-N 3.11Å; I160-D162 VanDerWaalsContact C-N 3.29Å; I160-D162 PolarHBondContact O-N 3.11Å; D162-P282 WeakPolarHBondContact OD2-CA 3.45Å; D162-V283 VanDerWaalsContact CG-N 3.33Å; D162-V283 PolarHBondContact OD1-N 2.92Å; D162-V283 PolarHBondContact OD2-N 2.9Å; D162-R284 HydrophobicContact CB-CG 4.36Å; D162-R284 WeakPolarHBondContact O-CD 3.4Å; D162-R284 PolarHBondContact O-NH1 3.22Å; D162-R284 WeakPolarHBondContact OD1-CB 3.16Å; D162-R284 PolarHBondContact OD1-N 2.83Å |
| 163 | H | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -75.9 | 140.1 | -176.5 | -63.4 | 74.6 | 0 | 0 | 0 | 111.6 | R114 I123 F152 V157 V159 I160 Y165 V166 H255 | R114-H163 WeakPolarHBondContact CB-NE2 3.5Å; R114-H163 PolarHBondContact NE-NE2 2.96Å; I123-H163 HydrophobicContact CB-CB 4.28Å; I123-H163 HydrophobicContact CG2-CB 3.59Å; I123-H163 VanDerWaalsContact CG2-CG 3.48Å; F152-H163 AromaticContact CD2-CE1 3.55Å; F152-H163 AromaticContact CE2-CE1 3.68Å; V157-H163 HydrophobicContact CG1-CB 4.09Å; V157-H163 VanDerWaalsContact CG1-CD2 3.47Å; V157-H163 WeakPolarHBondContact CG1-CD2 3.49Å; V157-H163 VanDerWaalsContact CG1-CG 3.45Å; V159-H163 PolarHBondContact O-CE1 2.91Å; V159-H163 VanDerWaalsContact O-CE1 3.27Å; V159-H163 PolarHBondContact O-ND1 2.9Å; I160-H163 PolarHBondContact O-N 2.8Å; I160-H163 PolarHBondContact O-ND1 3.41Å; H163-Y165 PolarHBondContact O-N 2.93Å; H163-V166 HydrophobicContact CB-CG2 4.14Å; H163-H255 PolarHBondContact O-CD2 2.88Å |
| 164 | D | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -57.7 | -36.5 | -177.7 | -56.8 | -47.3 | 0 | 0 | 0 | 112.4 | N121 V254 H255 F258 A259 R284 | N121-D164 WeakPolarHBondContact CB-OD2 3.2Å; N121-D164 PolarHBondContact N-OD2 3.1Å; N121-D164 PolarHBondContact ND2-OD2 2.84Å; N121-D164 VanDerWaalsContact ND2-OD2 3.13Å; N121-D164 WeakPolarHBondContact O-CB 3.32Å; N121-D164 PolarHBondContact O-N 3.31Å; D164-V254 WeakPolarHBondContact O-CA 3.46Å; D164-H255 PolarHBondContact O-N 3.34Å; D164-H255 VanDerWaalsContact O-N 3.12Å; D164-F258 HydrophobicContact CB-CD1 4.29Å; D164-F258 VanDerWaalsContact OD1-CA 3.3Å; D164-F258 WeakPolarHBondContact OD1-CA 3.22Å; D164-A259 PolarHBondContact OD1-N 3.02Å; D164-R284 IonicContact OD1-CZ 2.63Å; D164-R284 IonicContact OD1-NH1 3.1Å; D164-R284 PolarHBondContact OD1-NH1 2.75Å; D164-R284 IonicContact OD1-NH2 3.61Å |
| 165 | Y | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 121.7 | 172.6 | -59.4 | -82.2 | 0 | 0 | 0 | 110.8 | I120 N121 M122 I123 H163 V254 F258 P306 E307 A308 L333 S334 | I120-Y165 HydrophobicContact CB-CD2 4.29Å; I120-Y165 HydrophobicContact CB-CE2 4.13Å; I120-Y165 HydrophobicContact CD1-CD2 3.74Å; I120-Y165 HydrophobicContact CD1-CE2 3.61Å; I120-Y165 HydrophobicContact CG1-CE2 4.47Å; I120-Y165 HydrophobicContact CG2-CE2 4.18Å; N121-Y165 PolarHBondContact O-N 3.32Å; N121-Y165 VanDerWaalsContact O-N 3.14Å; M122-Y165 HydrophobicContact CE-CD2 4.24Å; M122-Y165 HydrophobicContact CE-CG 4.3Å; I123-Y165 PolarHBondContact N-O 3.14Å; H163-Y165 PolarHBondContact O-N 2.93Å; Y165-V254 HydrophobicContact CD1-CB 4.46Å; Y165-V254 HydrophobicContact CD1-CG1 3.89Å; Y165-V254 HydrophobicContact CD1-CG2 4.04Å; Y165-V254 HydrophobicContact CE1-CG1 3.64Å; Y165-V254 HydrophobicContact CE1-CG2 4.33Å; Y165-F258 HydrophobicContact CE2-CE1 4.36Å; Y165-P306 HydrophobicContact CE1-CB 4.33Å; Y165-P306 HydrophobicContact CE2-CB 4.46Å; Y165-E307 PolarHBondContact OH-N 2.9Å; Y165-E307 VanDerWaalsContact OH-N 3.1Å; Y165-E307 PolarHBondContact OH-O 2.91Å; Y165-A308 HydrophobicContact CD1-CB 4.29Å; Y165-A308 HydrophobicContact CE1-CB 4.1Å; Y165-L333 HydrophobicContact CD1-CD1 4.1Å; Y165-L333 HydrophobicContact CD1-CD2 3.92Å; Y165-L333 HydrophobicContact CD1-CG 4.46Å; Y165-L333 HydrophobicContact CD2-CD1 4.24Å; Y165-L333 HydrophobicContact CE1-CB 4.13Å; Y165-L333 HydrophobicContact CE1-CD1 4.38Å; Y165-L333 HydrophobicContact CE1-CD2 3.85Å; Y165-L333 HydrophobicContact CE1-CG 4.34Å; Y165-L333 HydrophobicContact CE2-CB 4.32Å; Y165-L333 HydrophobicContact CE2-CD1 4.49Å; Y165-L333 HydrophobicContact CG-CD1 4.02Å; Y165-S334 PolarHBondContact OH-N 3.02Å; Y165-S334 VanDerWaalsContact OH-N 3.13Å; Y165-S334 PolarHBondContact OH-O 3.02Å; Y165-S334 PolarHBondContact OH-OG 2.91Å |
| 166 | V | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.8 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 109 | I123 L125 I160 H163 F215 Y252 M253 | I123-V166 HydrophobicContact CG2-CB 3.93Å; I123-V166 HydrophobicContact CG2-CG1 3.85Å; I123-V166 HydrophobicContact CG2-CG2 3.72Å; L125-V166 HydrophobicContact CD1-CG1 3.82Å; I160-V166 HydrophobicContact CG2-CG1 3.81Å; I160-V166 WeakPolarHBondContact O-CG2 3.4Å; H163-V166 HydrophobicContact CB-CG2 4.14Å; V166-F215 HydrophobicContact CB-CE1 4.24Å; V166-F215 HydrophobicContact CB-CZ 4.49Å; V166-F215 HydrophobicContact CG1-CE1 3.65Å; V166-F215 HydrophobicContact CG1-CZ 3.82Å; V166-Y252 CarbonylContact O-C 3.52Å; V166-Y252 WeakPolarHBondContact O-CA 3.2Å; V166-M253 HydrophobicContact CB-CB 3.99Å; V166-M253 HydrophobicContact CG2-CB 4.32Å; V166-M253 HydrophobicContact CG2-CE 3.88Å; V166-M253 PolarHBondContact N-O 3.37Å; V166-M253 PolarHBondContact O-N 2.85Å |
| 167 | F | 98.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 0% | 0.004 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 109.7 | 172.7 | -59.6 | -79.6 | 0 | 0 | 0 | 109.8 | V6 M122 I123 F124 L125 F331 L333 | V6-F167 HydrophobicContact CG1-CE2 4.43Å; M122-F167 HydrophobicContact CE-CE2 3.71Å; M122-F167 HydrophobicContact CE-CZ 4.48Å; I123-F167 PolarHBondContact O-N 3.19Å; F124-F167 CarbonylContact C-O 3.5Å; F124-F167 WeakPolarHBondContact CA-O 3.44Å; F124-F167 HydrophobicContact CD1-CB 3.77Å; F124-F167 AromaticContact CD1-CD2 3.72Å; F124-F167 HydrophobicContact CD1-CD2 3.72Å; F124-F167 HydrophobicContact CD1-CG 4Å; F124-F167 HydrophobicContact CE1-CB 4.19Å; F124-F167 AromaticContact CE1-CD2 3.34Å; F124-F167 HydrophobicContact CE1-CD2 3.34Å; F124-F167 AromaticContact CE1-CE2 3.97Å; F124-F167 HydrophobicContact CE1-CE2 3.97Å; F124-F167 AromaticContact CE1-CG 3.89Å; F124-F167 HydrophobicContact CE1-CG 3.89Å; F124-F167 HydrophobicContact CG-CD2 4.46Å; F124-F167 AromaticContact CZ-CD2 3.81Å; F124-F167 HydrophobicContact CZ-CD2 3.81Å; F124-F167 HydrophobicContact CZ-CE2 4.1Å; L125-F167 PolarHBondContact N-O 3.45Å; F167-F331 HydrophobicContact CD1-CD2 4.02Å; F167-F331 AromaticContact CD1-CE2 3.6Å; F167-F331 HydrophobicContact CD1-CE2 3.6Å; F167-F331 AromaticContact CD1-CZ 3.92Å; F167-F331 HydrophobicContact CD1-CZ 3.92Å; F167-F331 HydrophobicContact CE1-CD1 4.06Å; F167-F331 AromaticContact CE1-CD2 3.5Å; F167-F331 HydrophobicContact CE1-CD2 3.5Å; F167-F331 HydrophobicContact CE1-CE1 4.06Å; F167-F331 AromaticContact CE1-CE2 3.52Å; F167-F331 HydrophobicContact CE1-CE2 3.52Å; F167-F331 AromaticContact CE1-CG 3.79Å; F167-F331 HydrophobicContact CE1-CG 3.79Å; F167-F331 AromaticContact CE1-CZ 3.8Å; F167-F331 HydrophobicContact CE1-CZ 3.8Å; F167-F331 HydrophobicContact CZ-CD2 4.35Å; F167-F331 HydrophobicContact CZ-CG 4.46Å; F167-L333 HydrophobicContact CE2-CD1 4.12Å; F167-L333 HydrophobicContact CZ-CD1 3.78Å; F167-L333 HydrophobicContact CZ-CD2 4.05Å |
| 168 | W | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 115.1 | 178.3 | -162 | -64.8 | 0 | 0 | 0 | 109.8 | L125 C127 F129 Y143 I146 I147 I160 F212 F215 I250 L251 | L125-W168 HydrophobicContact CB-CD2 4.46Å; L125-W168 HydrophobicContact CD1-CE3 4.07Å; L125-W168 HydrophobicContact CD2-CD2 4.26Å; L125-W168 HydrophobicContact CD2-CE3 3.83Å; L125-W168 HydrophobicContact CD2-CH2 4.33Å; L125-W168 HydrophobicContact CD2-CZ3 3.88Å; L125-W168 HydrophobicContact CG-CE3 4.43Å; C127-W168 PolarHBondContact SG-NE1 3.49Å; C127-W168 VanDerWaalsContact SG-NE1 3.41Å; F129-W168 AromaticContact CE1-CZ2 4Å; F129-W168 HydrophobicContact CE1-CZ2 4Å; F129-W168 AromaticContact CE1-NE1 3.92Å; F129-W168 AromaticContact CZ-CE2 3.93Å; F129-W168 AromaticContact CZ-CZ2 3.72Å; F129-W168 HydrophobicContact CZ-CZ2 3.72Å; F129-W168 AromaticContact CZ-NE1 3.59Å; Y143-W168 AromaticContact CD2-CH2 3.81Å; Y143-W168 HydrophobicContact CD2-CH2 3.81Å; Y143-W168 AromaticContact CD2-CZ2 3.98Å; Y143-W168 HydrophobicContact CD2-CZ2 3.98Å; Y143-W168 HydrophobicContact CD2-CZ3 4.4Å; Y143-W168 HydrophobicContact CE2-CH2 4.19Å; Y143-W168 HydrophobicContact CE2-CZ3 4.35Å; I146-W168 HydrophobicContact CB-CH2 3.74Å; I146-W168 HydrophobicContact CB-CZ2 4.06Å; I146-W168 HydrophobicContact CD1-CH2 4.47Å; I146-W168 HydrophobicContact CD1-CZ2 3.91Å; I146-W168 HydrophobicContact CG2-CH2 3.33Å; I146-W168 HydrophobicContact CG2-CZ2 3.77Å; I146-W168 HydrophobicContact CG2-CZ3 4.06Å; I147-W168 HydrophobicContact CD1-CH2 4.24Å; I147-W168 HydrophobicContact CD1-CZ3 3.75Å; I147-W168 HydrophobicContact CG1-CH2 4.19Å; I147-W168 HydrophobicContact CG1-CZ3 4.21Å; I160-W168 HydrophobicContact CD1-CZ3 4.39Å; I160-W168 HydrophobicContact CG2-CZ3 4.46Å; W168-F212 HydrophobicContact CB-CE1 4.21Å; W168-F212 AromaticContact CD1-CE1 3.95Å; W168-F212 AromaticContact CD1-CZ 3.73Å; W168-F212 AromaticContact CD2-CE1 3.49Å; W168-F212 HydrophobicContact CD2-CE1 3.49Å; W168-F212 VanDerWaalsContact CD2-CE1 3.49Å; W168-F212 AromaticContact CD2-CZ 3.89Å; W168-F212 HydrophobicContact CD2-CZ 3.89Å; W168-F212 AromaticContact CE2-CE1 3.72Å; W168-F212 AromaticContact CE2-CZ 3.65Å; W168-F212 AromaticContact CE3-CE1 3.85Å; W168-F212 HydrophobicContact CE3-CE1 3.85Å; W168-F212 AromaticContact CG-CE1 3.65Å; W168-F212 HydrophobicContact CG-CE1 3.65Å; W168-F212 AromaticContact CG-CZ 3.93Å; W168-F212 HydrophobicContact CG-CZ 3.93Å; W168-F212 HydrophobicContact CZ2-CE1 4.25Å; W168-F212 HydrophobicContact CZ2-CZ 4.18Å; W168-F212 HydrophobicContact CZ3-CE1 4.35Å; W168-F212 AromaticContact NE1-CZ 3.57Å; W168-F215 HydrophobicContact CB-CD1 4.36Å; W168-F215 HydrophobicContact CB-CE1 3.91Å; W168-F215 HydrophobicContact CE3-CE1 4.28Å; W168-F215 HydrophobicContact CE3-CZ 4.1Å; W168-I250 WeakPolarHBondContact O-CA 3.41Å; W168-L251 PolarHBondContact N-O 2.94Å; W168-L251 PolarHBondContact O-N 2.92Å |
| 169 | M | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.9 | -174 | -47.5 | 175.2 | -79.4 | 0 | 0 | 109.9 | C8 A41 I77 F124 L125 S126 C127 R249 I250 | C8-M169 HydrophobicContact CB-SD 3.54Å; C8-M169 VanDerWaalsContact CB-SD 3.54Å; A41-M169 HydrophobicContact CB-CB 3.87Å; A41-M169 HydrophobicContact CB-CE 4.11Å; A41-M169 HydrophobicContact CB-SD 4.43Å; I77-M169 HydrophobicContact CD1-CE 4.3Å; F124-M169 HydrophobicContact CB-CE 3.84Å; F124-M169 HydrophobicContact CD1-CE 4.11Å; F124-M169 HydrophobicContact CG-CE 4.48Å; L125-M169 WeakPolarHBondContact O-CA 3.34Å; L125-M169 VanDerWaalsContact O-CB 3.25Å; L125-M169 WeakPolarHBondContact O-CB 3.33Å; L125-M169 WeakPolarHBondContact O-CE 3.16Å; L125-M169 PolarHBondContact O-N 2.85Å; L125-M169 VanDerWaalsContact O-O 3.08Å; S126-M169 CarbonylContact C-O 3.6Å; S126-M169 WeakPolarHBondContact CA-O 3.39Å; C127-M169 PolarHBondContact N-O 3.19Å; M169-R249 WeakPolarHBondContact CA-O 3.19Å; M169-I250 HydrophobicContact CB-CG1 4.23Å; M169-I250 HydrophobicContact CG-CB 4.44Å; M169-I250 HydrophobicContact CG-CG1 4.01Å; M169-I250 HydrophobicContact CG-CG2 3.96Å |
| 170 | G | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.2 | 177.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T10 C127 L172 D248 R249 | T10-G170 WeakPolarHBondContact OG1-CA 3.49Å; T10-G170 PolarHBondContact OG1-N 2.91Å; C127-G170 WeakPolarHBondContact O-CA 3.35Å; G170-L172 VanDerWaalsContact C-N 3.28Å; G170-L172 PolarHBondContact O-N 3.04Å; G170-L172 VanDerWaalsContact O-N 3.13Å; G170-D248 WeakPolarHBondContact O-CA 3.38Å; G170-R249 PolarHBondContact N-O 2.63Å; G170-R249 PolarHBondContact O-N 3.2Å |
| 171 | D | 98.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.011 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 87.5 | 154.6 | -179.1 | 0.2 | 0 | 0 | 0 | 108.2 | N12 Q43 C127 H128 F129 N173 T247 H324 | N12-D171 HydrophobicContact CB-CB 4.21Å; N12-D171 PolarHBondContact ND2-OD2 2.82Å; Q43-D171 HydrophobicContact CG-CB 4.25Å; C127-D171 PolarHBondContact O-N 3.1Å; C127-D171 VanDerWaalsContact O-N 3.14Å; H128-D171 CarbonylContact C-O 3.57Å; H128-D171 WeakPolarHBondContact CA-O 3.24Å; H128-D171 IonicContact NE2-OD2 2.87Å; F129-D171 PolarHBondContact N-O 2.88Å; D171-N173 PolarHBondContact O-N 2.74Å; D171-N173 VanDerWaalsContact OD1-CA 3.25Å; D171-N173 WeakPolarHBondContact OD1-CA 3.14Å; D171-N173 PolarHBondContact OD1-N 2.93Å; D171-N173 PolarHBondContact OD1-ND2 3.17Å; D171-N173 PolarHBondContact OD2-ND2 3.27Å; D171-T247 WeakPolarHBondContact OD1-CB 3.31Å; D171-H324 IonicContact OD2-CE1 2.71Å; D171-H324 PolarHBondContact OD2-CE1 3.19Å; D171-H324 IonicContact OD2-NE2 3.77Å |
| 172 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -77.8 | 0.8 | 176.7 | -51.7 | -168.1 | 0 | 0 | 0 | 111.8 | C127 F129 R139 G170 F174 L202 F212 T247 R249 L251 | C127-L172 HydrophobicContact CB-CD2 3.85Å; F129-L172 WeakPolarHBondContact CB-O 3.33Å; F129-L172 HydrophobicContact CD1-CD2 4.23Å; F129-L172 HydrophobicContact CD2-CB 3.91Å; F129-L172 HydrophobicContact CD2-CD2 4.16Å; F129-L172 WeakPolarHBondContact CD2-O 3.41Å; F129-L172 HydrophobicContact CE1-CD2 4.04Å; F129-L172 HydrophobicContact CE2-CB 4.23Å; F129-L172 HydrophobicContact CE2-CD2 4Å; F129-L172 HydrophobicContact CE2-CG 4.49Å; F129-L172 HydrophobicContact CG-CB 4.43Å; F129-L172 HydrophobicContact CG-CD2 4.28Å; F129-L172 HydrophobicContact CZ-CD2 3.94Å; R139-L172 WeakPolarHBondContact CD-O 3.19Å; G170-L172 VanDerWaalsContact C-N 3.28Å; G170-L172 PolarHBondContact O-N 3.04Å; G170-L172 VanDerWaalsContact O-N 3.13Å; L172-F174 HydrophobicContact CB-CD2 3.7Å; L172-F174 HydrophobicContact CB-CE2 3.88Å; L172-F174 WeakPolarHBondContact O-CD2 3.43Å; L172-F174 WeakPolarHBondContact O-CE2 3.32Å; L172-F174 PolarHBondContact O-N 3.49Å; L172-L202 HydrophobicContact CD1-CD2 4.22Å; L172-F212 HydrophobicContact CD1-CE2 4.09Å; L172-F212 HydrophobicContact CD1-CZ 4.2Å; L172-T247 PolarHBondContact N-O 2.89Å; L172-R249 HydrophobicContact CD1-CB 3.93Å; L172-R249 HydrophobicContact CD1-CG 4.48Å; L172-R249 HydrophobicContact CG-CB 4.23Å; L172-L251 HydrophobicContact CD1-CD1 3.53Å | ||
| 173 | N | 98.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | trans | 56.5 | 8.5 | 167.5 | -106.5 | -69.1 | 0 | 0 | 0 | 117.5 | H128 F129 A131 D171 R175 T247 | H128-N173 PolarHBondContact CD2-ND2 3.46Å; H128-N173 PolarHBondContact NE2-ND2 3.31Å; F129-N173 HydrophobicContact CB-CB 4.41Å; F129-N173 WeakPolarHBondContact O-CB 3.4Å; F129-N173 PolarHBondContact O-ND2 2.67Å; F129-N173 VanDerWaalsContact O-ND2 3.1Å; A131-N173 WeakPolarHBondContact CA-OD1 3.47Å; A131-N173 WeakPolarHBondContact CB-OD1 3.38Å; D171-N173 PolarHBondContact O-N 2.74Å; D171-N173 VanDerWaalsContact OD1-CA 3.25Å; D171-N173 WeakPolarHBondContact OD1-CA 3.14Å; D171-N173 PolarHBondContact OD1-N 2.93Å; D171-N173 PolarHBondContact OD1-ND2 3.17Å; D171-N173 PolarHBondContact OD2-ND2 3.27Å; N173-R175 VanDerWaalsContact O-CD 3.22Å; N173-R175 WeakPolarHBondContact O-CD 3.44Å; N173-R175 WeakPolarHBondContact O-CG 3.32Å; N173-R175 PolarHBondContact O-NE 3.18Å; N173-R175 PolarHBondContact OD1-NH2 3.29Å; N173-T247 PolarHBondContact N-O 2.61Å | ||
| 174 | F | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -66 | 143.1 | 174.3 | -67.4 | -72.7 | 0 | 0 | 0 | 111.7 | F129 R139 L172 Q201 L202 M205 L211 | F129-F174 AromaticContact CD2-CE2 3.76Å; F129-F174 HydrophobicContact CD2-CE2 3.76Å; F129-F174 HydrophobicContact CD2-CZ 4.09Å; F129-F174 AromaticContact CE2-CE2 3.92Å; F129-F174 HydrophobicContact CE2-CE2 3.92Å; F129-F174 HydrophobicContact CE2-CZ 4.27Å; R139-F174 HydrophobicContact CB-CE1 3.68Å; R139-F174 HydrophobicContact CB-CZ 3.71Å; R139-F174 HydrophobicContact CG-CE1 4.34Å; L172-F174 HydrophobicContact CB-CD2 3.7Å; L172-F174 HydrophobicContact CB-CE2 3.88Å; L172-F174 WeakPolarHBondContact O-CD2 3.43Å; L172-F174 WeakPolarHBondContact O-CE2 3.32Å; L172-F174 PolarHBondContact O-N 3.49Å; F174-Q201 HydrophobicContact CB-CB 4.14Å; F174-Q201 HydrophobicContact CD1-CB 3.88Å; F174-Q201 HydrophobicContact CG-CB 4.46Å; F174-L202 HydrophobicContact CB-CB 3.85Å; F174-L202 HydrophobicContact CD1-CB 4.35Å; F174-L202 HydrophobicContact CD2-CB 3.68Å; F174-L202 HydrophobicContact CD2-CD1 3.99Å; F174-L202 HydrophobicContact CD2-CD2 4.06Å; F174-L202 HydrophobicContact CD2-CG 4.12Å; F174-L202 HydrophobicContact CE2-CB 4.35Å; F174-L202 HydrophobicContact CE2-CD1 3.81Å; F174-L202 HydrophobicContact CE2-CD2 4.49Å; F174-L202 HydrophobicContact CE2-CG 4.44Å; F174-L202 HydrophobicContact CG-CB 3.69Å; F174-L202 HydrophobicContact CZ-CD1 4.34Å; F174-M205 HydrophobicContact CD1-SD 4.17Å; F174-M205 HydrophobicContact CE1-CE 4.39Å; F174-M205 HydrophobicContact CE1-SD 3.53Å; F174-M205 VanDerWaalsContact CE1-SD 3.53Å; F174-M205 HydrophobicContact CZ-SD 4.42Å; F174-L211 HydrophobicContact CE1-CD2 4.34Å; F174-L211 HydrophobicContact CZ-CD2 3.72Å | ||
| 175 | R | 98.2 | Very high | 97.7 | Very high | 17 Ų | 17 | 28.8 Ų | 28.8 | 6% | 0.064 | 14% | 0.143 | C | C | . | . | trans | -121.5 | 167.9 | -168.3 | -51.4 | -54.2 | -180 | 106.3 | -14 | 112.3 | R133 N173 Q201 | R133-R175 HydrophobicContact CB-CB 4.04Å; R133-R175 HydrophobicContact CB-CG 3.98Å; R133-R175 HydrophobicContact CG-CB 4.01Å; R133-R175 HydrophobicContact CG-CG 4.48Å; N173-R175 VanDerWaalsContact O-CD 3.22Å; N173-R175 WeakPolarHBondContact O-CD 3.44Å; N173-R175 WeakPolarHBondContact O-CG 3.32Å; N173-R175 PolarHBondContact O-NE 3.18Å; N173-R175 PolarHBondContact OD1-NH2 3.29Å; R175-Q201 WeakPolarHBondContact O-CB 3.42Å; R175-Q201 VanDerWaalsContact O-CG 3.22Å; R175-Q201 WeakPolarHBondContact O-CG 3.46Å; R175-Q201 PolarHBondContact O-N 3.17Å | ||
| 176 | I | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -80.9 | 126.6 | 168.2 | -60 | -55.3 | 0 | 0 | 0 | 110 | R133 L179 V184 L196 H199 D200 V243 P244 A245 W246 | R133-I176 WeakPolarHBondContact CD-O 3.44Å; R133-I176 PolarHBondContact NE-O 3.04Å; R133-I176 PolarHBondContact NH1-O 3.37Å; I176-L179 HydrophobicContact CG2-CB 4.22Å; I176-L179 HydrophobicContact CG2-CD1 4.12Å; I176-L179 HydrophobicContact CG2-CG 4.49Å; I176-V184 HydrophobicContact CG2-CG2 3.89Å; I176-L196 HydrophobicContact CD1-CD1 4.11Å; I176-L196 HydrophobicContact CD1-CG 4.16Å; I176-L196 HydrophobicContact CG1-CD1 4.13Å; I176-L196 HydrophobicContact CG2-CD1 3.76Å; I176-H199 WeakPolarHBondContact CA-O 3.38Å; I176-H199 HydrophobicContact CG2-CB 3.78Å; I176-D200 HydrophobicContact CD1-CB 4.36Å; I176-V243 HydrophobicContact CB-CG1 4.33Å; I176-P244 WeakPolarHBondContact CG1-O 3.26Å; I176-A245 HydrophobicContact CG1-CB 4.34Å; I176-W246 HydrophobicContact CD1-CE3 3.93Å; I176-W246 HydrophobicContact CD1-CZ3 3.86Å |
| 177 | D | 96.4 | Very high | 97.8 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | trans | -99.6 | 163.5 | 177.4 | -106.2 | -40.2 | 0 | 0 | 0 | 114.2 | R133 L179 H199 Q201 | R133-D177 IonicContact CZ-OD1 2.7Å; R133-D177 VanDerWaalsContact CZ-OD1 3.26Å; R133-D177 IonicContact NE-OD1 3.14Å; R133-D177 PolarHBondContact NE-OD1 2.93Å; R133-D177 IonicContact NH2-OD1 3.95Å; R133-D177 PolarHBondContact NH2-OD1 2.87Å; R133-D177 VanDerWaalsContact NH2-OD1 3.14Å; D177-L179 PolarHBondContact O-N 3.01Å; D177-H199 PolarHBondContact N-O 3.12Å; D177-H199 WeakPolarHBondContact O-CB 3.17Å; D177-H199 PolarHBondContact O-ND1 2.85Å; D177-Q201 VanDerWaalsContact OD2-CG 3.26Å; D177-Q201 WeakPolarHBondContact OD2-CG 3.41Å; D177-Q201 PolarHBondContact OD2-NE2 3.04Å | ||
| 178 | H | 94.6 | Very high | 97.8 | Very high | 157 Ų | 157 | 34 Ų | 34 | 73% | 0.727 | 17% | 0.171 | S | C | * | . | S | Bend | trans | 58.3 | -20.8 | -179 | -49.9 | -65.4 | 0 | 0 | 0 | 118.4 | ||
| 179 | L | 96.9 | Very high | 97.7 | Very high | 25 Ų | 25 | 42.8 Ų | 42.8 | 13% | 0.131 | 20% | 0.204 | C | C | . | . | trans | -95.2 | 156.7 | 179.4 | -59 | 174.5 | 0 | 0 | 0 | 113.3 | R133 I176 D177 E183 V184 M187 L196 H199 | R133-L179 PolarHBondContact NH1-O 3.45Å; I176-L179 HydrophobicContact CG2-CB 4.22Å; I176-L179 HydrophobicContact CG2-CD1 4.12Å; I176-L179 HydrophobicContact CG2-CG 4.49Å; D177-L179 PolarHBondContact O-N 3.01Å; L179-E183 HydrophobicContact CD2-CB 4.47Å; L179-V184 HydrophobicContact CB-CG2 3.71Å; L179-V184 HydrophobicContact CD1-CG2 3.98Å; L179-M187 HydrophobicContact CD1-SD 3.91Å; L179-L196 HydrophobicContact CD1-CD1 3.7Å; L179-H199 HydrophobicContact CD1-CB 4.38Å | ||
| 180 | Q | 96.3 | Very high | 97.7 | Very high | 131 Ų | 131 | 47.5 Ų | 47.5 | 61% | 0.612 | 23% | 0.226 | S | C | * | . | trans | -94 | 162.7 | 170 | -56.7 | -176 | 48.9 | 0 | 0 | 111.7 | S182 E183 V184 | Q180-S182 PolarHBondContact O-N 2.85Å; Q180-E183 HydrophobicContact CB-CG 4.47Å; Q180-E183 VanDerWaalsContact CB-OE2 3.32Å; Q180-E183 WeakPolarHBondContact CB-OE2 3.26Å; Q180-E183 WeakPolarHBondContact CG-OE2 3.46Å; Q180-E183 PolarHBondContact N-OE2 3.23Å; Q180-E183 PolarHBondContact O-N 3.05Å; Q180-V184 WeakPolarHBondContact O-CG2 3.45Å; Q180-V184 PolarHBondContact O-N 3.16Å; Q180-V184 VanDerWaalsContact O-N 3.14Å | ||
| 181 | K | 97.2 | Very high | 97.6 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.8 | -46.8 | -177.4 | 176.4 | 175.5 | 172.8 | -171.4 | 0 | 112.8 | E183 V184 E185 Y235 D236 Q241 V243 | K181-E183 VanDerWaalsContact C-N 3.33Å; K181-E183 PolarHBondContact O-N 3Å; K181-V184 PolarHBondContact O-N 3.35Å; K181-E185 WeakPolarHBondContact CE-OE1 3.49Å; K181-E185 WeakPolarHBondContact CE-OE2 3.35Å; K181-E185 HydrophobicContact CG-CG 4.19Å; K181-E185 IonicContact NZ-OE1 2.68Å; K181-E185 WeakPolarHBondContact O-CB 3.39Å; K181-E185 WeakPolarHBondContact O-CG 3.44Å; K181-E185 PolarHBondContact O-N 3.12Å; K181-Y235 PolarHBondContact NZ-O 2.89Å; K181-D236 PolarHBondContact NZ-O 3.11Å; K181-Q241 HydrophobicContact CD-CB 4.17Å; K181-V243 HydrophobicContact CB-CG2 4.25Å |
| 182 | S | 96.9 | Very high | 97.6 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 51% | 0.51 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64 | -33.9 | -177.8 | 46.1 | 0 | 0 | 0 | 0 | 113.8 | Q180 L186 | Q180-S182 PolarHBondContact O-N 2.85Å; S182-L186 WeakPolarHBondContact O-CB 3.37Å; S182-L186 PolarHBondContact O-N 2.89Å |
| 183 | E | 97.8 | Very high | 97.5 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.2 | -46.6 | 176 | -60.8 | 171.9 | 117.4 | 0 | 0 | 110.2 | L179 Q180 K181 L186 M187 | L179-E183 HydrophobicContact CD2-CB 4.47Å; Q180-E183 HydrophobicContact CB-CG 4.47Å; Q180-E183 VanDerWaalsContact CB-OE2 3.32Å; Q180-E183 WeakPolarHBondContact CB-OE2 3.26Å; Q180-E183 WeakPolarHBondContact CG-OE2 3.46Å; Q180-E183 PolarHBondContact N-OE2 3.23Å; Q180-E183 PolarHBondContact O-N 3.05Å; K181-E183 VanDerWaalsContact C-N 3.33Å; K181-E183 PolarHBondContact O-N 3Å; E183-L186 WeakPolarHBondContact O-CB 3.47Å; E183-L186 PolarHBondContact O-N 3.29Å; E183-M187 WeakPolarHBondContact O-CG 3.25Å; E183-M187 PolarHBondContact O-N 3.31Å |
| 184 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 175.6 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | I176 L179 Q180 K181 L186 M187 V188 L196 V243 P244 | I176-V184 HydrophobicContact CG2-CG2 3.89Å; L179-V184 HydrophobicContact CB-CG2 3.71Å; L179-V184 HydrophobicContact CD1-CG2 3.98Å; Q180-V184 WeakPolarHBondContact O-CG2 3.45Å; Q180-V184 PolarHBondContact O-N 3.16Å; Q180-V184 VanDerWaalsContact O-N 3.14Å; K181-V184 PolarHBondContact O-N 3.35Å; V184-L186 VanDerWaalsContact C-N 3.28Å; V184-L186 PolarHBondContact O-N 2.76Å; V184-M187 PolarHBondContact O-N 3.02Å; V184-V188 HydrophobicContact CG1-CG2 4.22Å; V184-V188 WeakPolarHBondContact O-CB 3.5Å; V184-V188 VanDerWaalsContact O-CG2 3.25Å; V184-V188 WeakPolarHBondContact O-CG2 3.29Å; V184-V188 PolarHBondContact O-N 3.33Å; V184-L196 HydrophobicContact CB-CD1 4.33Å; V184-L196 HydrophobicContact CG1-CD1 3.99Å; V184-L196 HydrophobicContact CG1-CD2 3.89Å; V184-L196 HydrophobicContact CG2-CD1 3.8Å; V184-V243 HydrophobicContact CB-CG1 4.07Å; V184-V243 HydrophobicContact CG1-CG1 4.37Å; V184-V243 HydrophobicContact CG2-CG1 3.58Å; V184-P244 HydrophobicContact CG1-CB 3.81Å; V184-P244 HydrophobicContact CG1-CG 3.91Å |
| 185 | E | 98.1 | Very high | 97.4 | Very high | 52 Ų | 52 | 68.7 Ų | 68.7 | 24% | 0.243 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65 | -28.4 | 176.2 | -74.2 | 179.5 | 141.4 | 0 | 0 | 113.3 | K181 R189 Y235 P244 | K181-E185 WeakPolarHBondContact CE-OE1 3.49Å; K181-E185 WeakPolarHBondContact CE-OE2 3.35Å; K181-E185 HydrophobicContact CG-CG 4.19Å; K181-E185 IonicContact NZ-OE1 2.68Å; K181-E185 WeakPolarHBondContact O-CB 3.39Å; K181-E185 WeakPolarHBondContact O-CG 3.44Å; K181-E185 PolarHBondContact O-N 3.12Å; E185-R189 WeakPolarHBondContact O-CB 3.33Å; E185-R189 VanDerWaalsContact O-CG 3.28Å; E185-R189 WeakPolarHBondContact O-CG 3.3Å; E185-R189 PolarHBondContact O-N 3.34Å; E185-R189 PolarHBondContact O-NE 3.1Å; E185-Y235 HydrophobicContact CG-CD2 4.38Å; E185-P244 HydrophobicContact CG-CG 4.21Å |
| 186 | L | 98 | Very high | 97.4 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.7 | -53.3 | 169.8 | -178.4 | 61.8 | 0 | 0 | 0 | 110.7 | S182 E183 V184 V188 R189 E190 | S182-L186 WeakPolarHBondContact O-CB 3.37Å; S182-L186 PolarHBondContact O-N 2.89Å; E183-L186 WeakPolarHBondContact O-CB 3.47Å; E183-L186 PolarHBondContact O-N 3.29Å; V184-L186 VanDerWaalsContact C-N 3.28Å; V184-L186 PolarHBondContact O-N 2.76Å; L186-V188 VanDerWaalsContact C-N 3.27Å; L186-V188 PolarHBondContact O-N 2.9Å; L186-R189 PolarHBondContact O-N 3.41Å; L186-R189 VanDerWaalsContact O-N 3.12Å; L186-E190 HydrophobicContact CD1-CG 4.32Å; L186-E190 WeakPolarHBondContact CD1-OE1 3.35Å; L186-E190 WeakPolarHBondContact O-CG 3.38Å; L186-E190 PolarHBondContact O-N 3.2Å |
| 187 | M | 98.3 | Very high | 97.4 | Very high | 18 Ų | 18 | 68.9 Ų | 68.9 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.9 | -35.8 | 179.7 | -66.2 | 175.5 | 80.3 | 0 | 0 | 112.5 | L179 E183 V184 E190 K191 R192 E195 L196 | L179-M187 HydrophobicContact CD1-SD 3.91Å; E183-M187 WeakPolarHBondContact O-CG 3.25Å; E183-M187 PolarHBondContact O-N 3.31Å; V184-M187 PolarHBondContact O-N 3.02Å; M187-E190 CarbonylContact O-C 3.53Å; M187-E190 PolarHBondContact O-N 3.36Å; M187-K191 PolarHBondContact O-N 3.4Å; M187-R192 HydrophobicContact CB-CB 4.21Å; M187-R192 HydrophobicContact CE-CB 4.49Å; M187-R192 PolarHBondContact O-N 3.28Å; M187-E195 HydrophobicContact CE-CB 3.4Å; M187-L196 HydrophobicContact CE-CB 4.03Å; M187-L196 HydrophobicContact SD-CD1 4.44Å |
| 188 | V | 98 | Very high | 97.4 | Very high | 19 Ų | 19 | 73.5 Ų | 73.5 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.1 | -42.2 | 175.6 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | V184 L186 E190 K191 F193 L196 P223 P224 Y235 | V184-V188 HydrophobicContact CG1-CG2 4.22Å; V184-V188 WeakPolarHBondContact O-CB 3.5Å; V184-V188 VanDerWaalsContact O-CG2 3.25Å; V184-V188 WeakPolarHBondContact O-CG2 3.29Å; V184-V188 PolarHBondContact O-N 3.33Å; L186-V188 VanDerWaalsContact C-N 3.27Å; L186-V188 PolarHBondContact O-N 2.9Å; V188-E190 VanDerWaalsContact C-N 3.31Å; V188-E190 PolarHBondContact O-N 3.39Å; V188-K191 PolarHBondContact O-N 3.06Å; V188-K191 VanDerWaalsContact O-N 3.11Å; V188-F193 HydrophobicContact CB-CE1 4.48Å; V188-F193 HydrophobicContact CG1-CE1 4.31Å; V188-F193 HydrophobicContact CG2-CE1 4.41Å; V188-L196 HydrophobicContact CG2-CD2 3.74Å; V188-P223 HydrophobicContact CG1-CB 3.99Å; V188-P224 VanDerWaalsContact CG2-CD 3.47Å; V188-P224 HydrophobicContact CG2-CG 3.7Å; V188-Y235 HydrophobicContact CG1-CE2 4.08Å |
| 189 | R | 97.4 | Very high | 97.6 | Very high | 184 Ų | 184 | 68.3 Ų | 68.3 | 69% | 0.694 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.2 | -36.7 | 174.1 | -75.7 | 176.7 | -67.2 | 163.8 | 0.9 | 112.1 | E185 L186 K191 | E185-R189 WeakPolarHBondContact O-CB 3.33Å; E185-R189 VanDerWaalsContact O-CG 3.28Å; E185-R189 WeakPolarHBondContact O-CG 3.3Å; E185-R189 PolarHBondContact O-N 3.34Å; E185-R189 PolarHBondContact O-NE 3.1Å; L186-R189 PolarHBondContact O-N 3.41Å; L186-R189 VanDerWaalsContact O-N 3.12Å; R189-K191 PolarHBondContact O-N 3.23Å |
| 190 | E | 97.9 | Very high | 97.7 | Very high | 98 Ų | 98 | 67.1 Ų | 67.1 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -3.1 | 175 | -66.1 | 176.1 | 166.1 | 0 | 0 | 113.4 | L186 M187 V188 R192 | L186-E190 HydrophobicContact CD1-CG 4.32Å; L186-E190 WeakPolarHBondContact CD1-OE1 3.35Å; L186-E190 WeakPolarHBondContact O-CG 3.38Å; L186-E190 PolarHBondContact O-N 3.2Å; M187-E190 CarbonylContact O-C 3.53Å; M187-E190 PolarHBondContact O-N 3.36Å; V188-E190 VanDerWaalsContact C-N 3.31Å; V188-E190 PolarHBondContact O-N 3.39Å; E190-R192 HydrophobicContact CB-CG 3.89Å; E190-R192 PolarHBondContact O-N 3.2Å; E190-R192 WeakPolarHBondContact OE2-CD 3.39Å; E190-R192 IonicContact OE2-CZ 2.61Å; E190-R192 IonicContact OE2-NE 3.21Å; E190-R192 IonicContact OE2-NH1 2.78Å; E190-R192 PolarHBondContact OE2-NH1 2.73Å |
| 191 | K | 97.5 | Very high | 97.8 | Very high | 161 Ų | 161 | 61 Ų | 61 | 70% | 0.7 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 27.2 | -176 | -55.2 | -177.2 | -178.5 | -179.8 | 0 | 114.7 | M187 V188 R189 F193 | M187-K191 PolarHBondContact O-N 3.4Å; V188-K191 PolarHBondContact O-N 3.06Å; V188-K191 VanDerWaalsContact O-N 3.11Å; R189-K191 PolarHBondContact O-N 3.23Å; K191-F193 HydrophobicContact CB-CE2 4.2Å; K191-F193 HydrophobicContact CB-CZ 4.21Å; K191-F193 HydrophobicContact CG-CZ 4.29Å; K191-F193 PolarHBondContact O-N 2.73Å |
| 192 | R | 97.9 | Very high | 97.8 | Very high | 89 Ų | 89 | 59.8 Ų | 59.8 | 34% | 0.336 | 29% | 0.288 | S | S | . | . | trans | -77.5 | 46.5 | 179.4 | -69.2 | 165.8 | 64.4 | -160.4 | -3.6 | 112.3 | M187 E190 S194 E195 L196 | M187-R192 HydrophobicContact CB-CB 4.21Å; M187-R192 HydrophobicContact CE-CB 4.49Å; M187-R192 PolarHBondContact O-N 3.28Å; E190-R192 HydrophobicContact CB-CG 3.89Å; E190-R192 PolarHBondContact O-N 3.2Å; E190-R192 WeakPolarHBondContact OE2-CD 3.39Å; E190-R192 IonicContact OE2-CZ 2.61Å; E190-R192 IonicContact OE2-NE 3.21Å; E190-R192 IonicContact OE2-NH1 2.78Å; E190-R192 PolarHBondContact OE2-NH1 2.73Å; R192-S194 VanDerWaalsContact C-N 3.34Å; R192-S194 PolarHBondContact O-N 3.29Å; R192-E195 WeakPolarHBondContact CB-OE1 3.15Å; R192-E195 WeakPolarHBondContact CG-OE1 3.42Å; R192-E195 IonicContact CZ-OE1 3.83Å; R192-E195 IonicContact CZ-OE2 2.88Å; R192-E195 IonicContact NE-OE1 2.81Å; R192-E195 PolarHBondContact NE-OE1 2.86Å; R192-E195 IonicContact NE-OE2 3.32Å; R192-E195 PolarHBondContact NE-OE2 3.14Å; R192-E195 IonicContact NH2-OE1 2.73Å; R192-E195 IonicContact NH2-OE2 2.87Å; R192-E195 PolarHBondContact NH2-OE2 3.11Å; R192-E195 PolarHBondContact O-N 2.8Å; R192-L196 PolarHBondContact O-N 3.45Å; R192-L196 VanDerWaalsContact O-N 3.11Å | ||
| 193 | F | 97.7 | Very high | 97.8 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 10% | 0.096 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.9 | -39.9 | -174.4 | -53.7 | -40.2 | 0 | 0 | 0 | 111.9 | V188 K191 E195 L196 L197 P223 W246 | V188-F193 HydrophobicContact CB-CE1 4.48Å; V188-F193 HydrophobicContact CG1-CE1 4.31Å; V188-F193 HydrophobicContact CG2-CE1 4.41Å; K191-F193 HydrophobicContact CB-CE2 4.2Å; K191-F193 HydrophobicContact CB-CZ 4.21Å; K191-F193 HydrophobicContact CG-CZ 4.29Å; K191-F193 PolarHBondContact O-N 2.73Å; F193-E195 PolarHBondContact O-N 3.08Å; F193-L196 PolarHBondContact O-N 3.29Å; F193-L196 VanDerWaalsContact O-N 3.16Å; F193-L197 WeakPolarHBondContact O-CB 3.49Å; F193-L197 WeakPolarHBondContact O-CD1 3.34Å; F193-L197 WeakPolarHBondContact O-CG 3.41Å; F193-L197 PolarHBondContact O-N 2.83Å; F193-P223 HydrophobicContact CE1-CB 4.04Å; F193-P223 HydrophobicContact CZ-CB 3.93Å; F193-W246 HydrophobicContact CB-CH2 4.18Å; F193-W246 HydrophobicContact CB-CZ2 4.09Å; F193-W246 HydrophobicContact CD1-CH2 4.34Å; F193-W246 AromaticContact CD1-CZ2 3.94Å; F193-W246 HydrophobicContact CD1-CZ2 3.94Å; F193-W246 HydrophobicContact CG-CZ2 4.17Å |
| 194 | S | 96.5 | Very high | 97.8 | Very high | 99 Ų | 99 | 57.1 Ų | 57.1 | 69% | 0.692 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.1 | -24.7 | 178.8 | -46.9 | 0 | 0 | 0 | 0 | 114.5 | R192 | R192-S194 VanDerWaalsContact C-N 3.34Å; R192-S194 PolarHBondContact O-N 3.29Å |
| 195 | E | 97.3 | Very high | 97.8 | Very high | 79 Ų | 79 | 57.2 Ų | 57.2 | 37% | 0.369 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -82.7 | -47.2 | 171.9 | -66.1 | 171.2 | -104.3 | 0 | 0 | 110 | M187 R192 F193 L197 Q198 | M187-E195 HydrophobicContact CE-CB 3.4Å; R192-E195 WeakPolarHBondContact CB-OE1 3.15Å; R192-E195 WeakPolarHBondContact CG-OE1 3.42Å; R192-E195 IonicContact CZ-OE1 3.83Å; R192-E195 IonicContact CZ-OE2 2.88Å; R192-E195 IonicContact NE-OE1 2.81Å; R192-E195 PolarHBondContact NE-OE1 2.86Å; R192-E195 IonicContact NE-OE2 3.32Å; R192-E195 PolarHBondContact NE-OE2 3.14Å; R192-E195 IonicContact NH2-OE1 2.73Å; R192-E195 IonicContact NH2-OE2 2.87Å; R192-E195 PolarHBondContact NH2-OE2 3.11Å; R192-E195 PolarHBondContact O-N 2.8Å; F193-E195 PolarHBondContact O-N 3.08Å; E195-L197 PolarHBondContact O-N 3.16Å; E195-Q198 VanDerWaalsContact O-CB 3.28Å; E195-Q198 WeakPolarHBondContact O-CB 3.19Å; E195-Q198 WeakPolarHBondContact O-CG 3.49Å; E195-Q198 PolarHBondContact O-N 3.44Å |
| 196 | L | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -31.4 | 178.9 | -178.4 | 59.6 | 0 | 0 | 0 | 112.8 | I176 L179 V184 M187 V188 R192 F193 Q198 H199 P224 W246 | I176-L196 HydrophobicContact CD1-CD1 4.11Å; I176-L196 HydrophobicContact CD1-CG 4.16Å; I176-L196 HydrophobicContact CG1-CD1 4.13Å; I176-L196 HydrophobicContact CG2-CD1 3.76Å; L179-L196 HydrophobicContact CD1-CD1 3.7Å; V184-L196 HydrophobicContact CB-CD1 4.33Å; V184-L196 HydrophobicContact CG1-CD1 3.99Å; V184-L196 HydrophobicContact CG1-CD2 3.89Å; V184-L196 HydrophobicContact CG2-CD1 3.8Å; M187-L196 HydrophobicContact CE-CB 4.03Å; M187-L196 HydrophobicContact SD-CD1 4.44Å; V188-L196 HydrophobicContact CG2-CD2 3.74Å; R192-L196 PolarHBondContact O-N 3.45Å; R192-L196 VanDerWaalsContact O-N 3.11Å; F193-L196 PolarHBondContact O-N 3.29Å; F193-L196 VanDerWaalsContact O-N 3.16Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 3.38Å; L196-H199 WeakPolarHBondContact O-CB 3.29Å; L196-H199 PolarHBondContact O-N 3.2Å; L196-H199 VanDerWaalsContact O-N 3.09Å; L196-P224 HydrophobicContact CD2-CG 4.15Å; L196-W246 HydrophobicContact CB-CH2 4.05Å; L196-W246 HydrophobicContact CB-CZ3 4.31Å; L196-W246 HydrophobicContact CD2-CH2 3.6Å; L196-W246 HydrophobicContact CD2-CZ2 4.45Å; L196-W246 HydrophobicContact CD2-CZ3 3.94Å; L196-W246 HydrophobicContact CG-CH2 3.76Å; L196-W246 HydrophobicContact CG-CZ3 3.74Å |
| 197 | L | 98 | Very high | 97.5 | Very high | 22 Ų | 22 | 58.9 Ų | 58.9 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -69 | -18 | 176 | -74.8 | 165 | 0 | 0 | 0 | 113.6 | F193 E195 H199 D200 L203 I220 W246 | F193-L197 WeakPolarHBondContact O-CB 3.49Å; F193-L197 WeakPolarHBondContact O-CD1 3.34Å; F193-L197 WeakPolarHBondContact O-CG 3.41Å; F193-L197 PolarHBondContact O-N 2.83Å; E195-L197 PolarHBondContact O-N 3.16Å; L197-H199 PolarHBondContact O-N 3.48Å; L197-D200 HydrophobicContact CD2-CB 4.28Å; L197-D200 WeakPolarHBondContact O-CB 3.25Å; L197-D200 PolarHBondContact O-N 2.67Å; L197-D200 VanDerWaalsContact O-N 3.15Å; L197-L203 HydrophobicContact CB-CD1 3.91Å; L197-L203 HydrophobicContact CD2-CD1 3.82Å; L197-L203 HydrophobicContact CG-CD1 4.35Å; L197-I220 HydrophobicContact CD1-CB 4.01Å; L197-I220 HydrophobicContact CD1-CG2 4.35Å; L197-I220 HydrophobicContact CD2-CB 4.32Å; L197-I220 HydrophobicContact CD2-CD1 3.84Å; L197-I220 HydrophobicContact CD2-CG2 4.39Å; L197-W246 HydrophobicContact CD2-CD2 4.11Å; L197-W246 HydrophobicContact CD2-CE3 3.53Å; L197-W246 HydrophobicContact CD2-CH2 3.83Å; L197-W246 HydrophobicContact CD2-CZ2 4.39Å; L197-W246 HydrophobicContact CD2-CZ3 3.37Å; L197-W246 HydrophobicContact CG-CE3 4.33Å; L197-W246 HydrophobicContact CG-CH2 3.74Å; L197-W246 HydrophobicContact CG-CZ2 4.48Å; L197-W246 HydrophobicContact CG-CZ3 3.66Å |
| 198 | Q | 97.5 | Very high | 97.4 | Very high | 131 Ų | 131 | 62.5 Ų | 62.5 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -66.4 | -17.7 | 170.3 | -56.7 | 175.4 | 23.8 | 0 | 0 | 111.7 | E195 L196 N204 | E195-Q198 VanDerWaalsContact O-CB 3.28Å; E195-Q198 WeakPolarHBondContact O-CB 3.19Å; E195-Q198 WeakPolarHBondContact O-CG 3.49Å; E195-Q198 PolarHBondContact O-N 3.44Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 3.38Å; Q198-N204 PolarHBondContact O-ND2 2.94Å |
| 199 | H | 98.1 | Very high | 97.3 | Very high | 48 Ų | 48 | 68.2 Ų | 68.2 | 22% | 0.222 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -100.8 | 0.7 | 177.1 | -63.7 | -102.9 | 0 | 0 | 0 | 113 | I176 D177 L179 L196 L197 Q201 | I176-H199 WeakPolarHBondContact CA-O 3.38Å; I176-H199 HydrophobicContact CG2-CB 3.78Å; D177-H199 PolarHBondContact N-O 3.12Å; D177-H199 WeakPolarHBondContact O-CB 3.17Å; D177-H199 PolarHBondContact O-ND1 2.85Å; L179-H199 HydrophobicContact CD1-CB 4.38Å; L196-H199 WeakPolarHBondContact O-CB 3.29Å; L196-H199 PolarHBondContact O-N 3.2Å; L196-H199 VanDerWaalsContact O-N 3.09Å; L197-H199 PolarHBondContact O-N 3.48Å; H199-Q201 PolarHBondContact O-N 3.25Å |
| 200 | D | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -74.4 | 121.1 | 179.1 | 178.6 | 57.8 | 0 | 0 | 0 | 111.4 | I176 L197 L202 L203 N204 R249 | I176-D200 HydrophobicContact CD1-CB 4.36Å; L197-D200 HydrophobicContact CD2-CB 4.28Å; L197-D200 WeakPolarHBondContact O-CB 3.25Å; L197-D200 PolarHBondContact O-N 2.67Å; L197-D200 VanDerWaalsContact O-N 3.15Å; D200-L202 VanDerWaalsContact C-N 3.27Å; D200-L202 PolarHBondContact O-N 2.86Å; D200-L202 WeakPolarHBondContact OD2-CB 2.87Å; D200-L202 PolarHBondContact OD2-N 2.64Å; D200-L203 HydrophobicContact CB-CB 4.35Å; D200-L203 HydrophobicContact CB-CD1 4.36Å; D200-L203 HydrophobicContact CB-CG 4.45Å; D200-L203 PolarHBondContact O-N 3.4Å; D200-L203 WeakPolarHBondContact OD2-CG 3.36Å; D200-L203 PolarHBondContact OD2-N 2.65Å; D200-N204 WeakPolarHBondContact O-CB 3.37Å; D200-N204 PolarHBondContact O-N 2.89Å; D200-N204 PolarHBondContact O-ND2 3.25Å; D200-R249 VanDerWaalsContact CG-NH1 3.3Å; D200-R249 IonicContact OD1-CZ 3.96Å; D200-R249 IonicContact OD1-NH1 3.78Å; D200-R249 PolarHBondContact OD1-NH1 2.89Å; D200-R249 IonicContact OD2-CZ 3.33Å; D200-R249 IonicContact OD2-NH1 3.28Å; D200-R249 PolarHBondContact OD2-NH1 2.75Å; D200-R249 IonicContact OD2-NH2 3.57Å; D200-R249 PolarHBondContact OD2-NH2 3.12Å |
| 201 | Q | 98.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.019 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -34 | -178.6 | -77.6 | 174.9 | -15.5 | 0 | 0 | 113.4 | R133 F174 R175 D177 H199 M205 | R133-Q201 PolarHBondContact O-NE2 3.14Å; F174-Q201 HydrophobicContact CB-CB 4.14Å; F174-Q201 HydrophobicContact CD1-CB 3.88Å; F174-Q201 HydrophobicContact CG-CB 4.46Å; R175-Q201 WeakPolarHBondContact O-CB 3.42Å; R175-Q201 VanDerWaalsContact O-CG 3.22Å; R175-Q201 WeakPolarHBondContact O-CG 3.46Å; R175-Q201 PolarHBondContact O-N 3.17Å; D177-Q201 VanDerWaalsContact OD2-CG 3.26Å; D177-Q201 WeakPolarHBondContact OD2-CG 3.41Å; D177-Q201 PolarHBondContact OD2-NE2 3.04Å; H199-Q201 PolarHBondContact O-N 3.25Å; Q201-M205 WeakPolarHBondContact O-CB 3.4Å; Q201-M205 VanDerWaalsContact O-CG 3.22Å; Q201-M205 WeakPolarHBondContact O-CG 3.45Å; Q201-M205 PolarHBondContact O-N 3.27Å |
| 202 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.9 | -52.1 | -179.5 | 176.2 | 52.1 | 0 | 0 | 0 | 111.1 | L172 F174 D200 N204 M205 K206 L211 F212 R249 L251 | L172-L202 HydrophobicContact CD1-CD2 4.22Å; F174-L202 HydrophobicContact CB-CB 3.85Å; F174-L202 HydrophobicContact CD1-CB 4.35Å; F174-L202 HydrophobicContact CD2-CB 3.68Å; F174-L202 HydrophobicContact CD2-CD1 3.99Å; F174-L202 HydrophobicContact CD2-CD2 4.06Å; F174-L202 HydrophobicContact CD2-CG 4.12Å; F174-L202 HydrophobicContact CE2-CB 4.35Å; F174-L202 HydrophobicContact CE2-CD1 3.81Å; F174-L202 HydrophobicContact CE2-CD2 4.49Å; F174-L202 HydrophobicContact CE2-CG 4.44Å; F174-L202 HydrophobicContact CG-CB 3.69Å; F174-L202 HydrophobicContact CZ-CD1 4.34Å; D200-L202 VanDerWaalsContact C-N 3.27Å; D200-L202 PolarHBondContact O-N 2.86Å; D200-L202 WeakPolarHBondContact OD2-CB 2.87Å; D200-L202 PolarHBondContact OD2-N 2.64Å; L202-N204 VanDerWaalsContact C-N 3.29Å; L202-N204 PolarHBondContact O-N 2.74Å; L202-M205 PolarHBondContact O-N 2.84Å; L202-K206 WeakPolarHBondContact O-CB 3.5Å; L202-K206 PolarHBondContact O-N 3Å; L202-L211 HydrophobicContact CD1-CD1 3.89Å; L202-F212 HydrophobicContact CD1-CD2 3.67Å; L202-F212 HydrophobicContact CD1-CE2 4.02Å; L202-R249 HydrophobicContact CD2-CB 4.3Å; L202-R249 HydrophobicContact CD2-CG 3.89Å; L202-L251 HydrophobicContact CD2-CD1 4.18Å; L202-L251 HydrophobicContact CD2-CD2 4.45Å |
| 203 | L | 97.4 | Very high | 96.6 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.7 | -43.4 | 176.4 | -71.2 | 178.2 | 0 | 0 | 0 | 111.7 | L197 D200 K206 N207 | L197-L203 HydrophobicContact CB-CD1 3.91Å; L197-L203 HydrophobicContact CD2-CD1 3.82Å; L197-L203 HydrophobicContact CG-CD1 4.35Å; D200-L203 HydrophobicContact CB-CB 4.35Å; D200-L203 HydrophobicContact CB-CD1 4.36Å; D200-L203 HydrophobicContact CB-CG 4.45Å; D200-L203 PolarHBondContact O-N 3.4Å; D200-L203 WeakPolarHBondContact OD2-CG 3.36Å; D200-L203 PolarHBondContact OD2-N 2.65Å; L203-K206 PolarHBondContact O-N 3.17Å; L203-N207 WeakPolarHBondContact O-CB 3.42Å; L203-N207 PolarHBondContact O-N 3.07Å; L203-N207 PolarHBondContact O-ND2 3.04Å |
| 204 | N | 97 | Very high | 96.4 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 178.4 | -72.9 | -29.1 | 0 | 0 | 0 | 112.3 | Q198 D200 L202 K206 N207 D208 | Q198-N204 PolarHBondContact O-ND2 2.94Å; D200-N204 WeakPolarHBondContact O-CB 3.37Å; D200-N204 PolarHBondContact O-N 2.89Å; D200-N204 PolarHBondContact O-ND2 3.25Å; L202-N204 VanDerWaalsContact C-N 3.29Å; L202-N204 PolarHBondContact O-N 2.74Å; N204-K206 VanDerWaalsContact C-N 3.27Å; N204-K206 PolarHBondContact O-N 3.29Å; N204-N207 PolarHBondContact O-N 2.88Å; N204-D208 WeakPolarHBondContact O-CB 3.09Å; N204-D208 PolarHBondContact O-N 2.89Å |
| 205 | M | 97.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -30.7 | 176.6 | -72.4 | 175 | 79.4 | 0 | 0 | 113.9 | K136 L140 F174 Q201 L202 K209 L210 L211 | K136-M205 HydrophobicContact CD-CG 4.36Å; K136-M205 HydrophobicContact CD-SD 4.03Å; K136-M205 WeakPolarHBondContact CE-SD 3.37Å; K136-M205 HydrophobicContact CG-CE 4.06Å; K136-M205 HydrophobicContact CG-CG 4.39Å; K136-M205 HydrophobicContact CG-SD 3.43Å; K136-M205 WeakPolarHBondContact CG-SD 3.49Å; L140-M205 HydrophobicContact CB-CE 3.86Å; L140-M205 HydrophobicContact CD2-CE 4.45Å; F174-M205 HydrophobicContact CD1-SD 4.17Å; F174-M205 HydrophobicContact CE1-CE 4.39Å; F174-M205 HydrophobicContact CE1-SD 3.53Å; F174-M205 VanDerWaalsContact CE1-SD 3.53Å; F174-M205 HydrophobicContact CZ-SD 4.42Å; Q201-M205 WeakPolarHBondContact O-CB 3.4Å; Q201-M205 VanDerWaalsContact O-CG 3.22Å; Q201-M205 WeakPolarHBondContact O-CG 3.45Å; Q201-M205 PolarHBondContact O-N 3.27Å; L202-M205 PolarHBondContact O-N 2.84Å; M205-K209 PolarHBondContact O-N 3.1Å; M205-L210 HydrophobicContact CB-CB 4.49Å; M205-L210 HydrophobicContact CB-CD1 4.47Å; M205-L210 HydrophobicContact CE-CD1 4.45Å; M205-L210 HydrophobicContact CG-CD1 4.26Å; M205-L210 WeakPolarHBondContact O-CB 3.35Å; M205-L210 PolarHBondContact O-N 3.35Å; M205-L211 HydrophobicContact CB-CD1 3.59Å; M205-L211 HydrophobicContact CB-CD2 4.45Å; M205-L211 HydrophobicContact CB-CG 4.01Å; M205-L211 HydrophobicContact CE-CD2 3.7Å; M205-L211 HydrophobicContact CE-CG 4.17Å; M205-L211 HydrophobicContact SD-CD2 4.34Å |
| 206 | K | 96.7 | Very high | 96.4 | Very high | 43 Ų | 43 | 48 Ų | 48 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.2 | -40.4 | 174.9 | -172.9 | -175.4 | 178.7 | -173.5 | 0 | 111.5 | L202 L203 N204 D208 K209 F212 F215 | L202-K206 WeakPolarHBondContact O-CB 3.5Å; L202-K206 PolarHBondContact O-N 3Å; L203-K206 PolarHBondContact O-N 3.17Å; N204-K206 VanDerWaalsContact C-N 3.27Å; N204-K206 PolarHBondContact O-N 3.29Å; K206-D208 VanDerWaalsContact C-N 3.35Å; K206-K209 WeakPolarHBondContact O-CA 3.23Å; K206-K209 PolarHBondContact O-N 3.2Å; K206-F212 WeakPolarHBondContact CE-O 3.48Å; K206-F215 WeakPolarHBondContact CE-O 3.4Å; K206-F215 PolarHBondContact NZ-O 2.75Å |
| 207 | N | 95 | Very high | 96.4 | Very high | 118 Ų | 118 | 49.5 Ų | 49.5 | 63% | 0.631 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.1 | -40.1 | 172.5 | -66.6 | -23.8 | 0 | 0 | 0 | 111.4 | L203 N204 K209 | L203-N207 WeakPolarHBondContact O-CB 3.42Å; L203-N207 PolarHBondContact O-N 3.07Å; L203-N207 PolarHBondContact O-ND2 3.04Å; N204-N207 PolarHBondContact O-N 2.88Å; N207-K209 PolarHBondContact O-N 3.21Å; N207-K209 VanDerWaalsContact O-N 3.14Å |
| 208 | D | 95.9 | Very high | 96.4 | Very high | 95 Ų | 95 | 48.9 Ų | 48.9 | 51% | 0.508 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -3.2 | 171.2 | -62.3 | -27.3 | 0 | 0 | 0 | 113 | N204 K206 L210 | N204-D208 WeakPolarHBondContact O-CB 3.09Å; N204-D208 PolarHBondContact O-N 2.89Å; K206-D208 VanDerWaalsContact C-N 3.35Å; D208-L210 HydrophobicContact CB-CD1 3.91Å; D208-L210 HydrophobicContact CB-CG 3.78Å; D208-L210 PolarHBondContact O-N 2.82Å |
| 209 | K | 94.1 | Very high | 96.4 | Very high | 138 Ų | 138 | 48.7 Ų | 48.7 | 60% | 0.6 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 22.1 | -176.3 | -57.9 | -167.8 | 169.8 | -163.3 | 0 | 115.8 | M205 K206 N207 H213 | M205-K209 PolarHBondContact O-N 3.1Å; K206-K209 WeakPolarHBondContact O-CA 3.23Å; K206-K209 PolarHBondContact O-N 3.2Å; N207-K209 PolarHBondContact O-N 3.21Å; N207-K209 VanDerWaalsContact O-N 3.14Å; K209-H213 WeakPolarHBondContact CE-NE2 3.23Å; K209-H213 PolarHBondContact NZ-NE2 3.21Å; K209-H213 VanDerWaalsContact NZ-NE2 3.13Å |
| 210 | L | 95.6 | Very high | 96.4 | Very high | 85 Ų | 85 | 46.9 Ų | 46.9 | 45% | 0.445 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -76.2 | -31.3 | -177.2 | -59.3 | 174.6 | 0 | 0 | 0 | 112.9 | L140 M205 D208 | L140-L210 HydrophobicContact CD1-CB 4.44Å; L140-L210 VanDerWaalsContact CD1-O 3.25Å; L140-L210 WeakPolarHBondContact CD1-O 3.4Å; L140-L210 HydrophobicContact CD2-CB 4.35Å; M205-L210 HydrophobicContact CB-CB 4.49Å; M205-L210 HydrophobicContact CB-CD1 4.47Å; M205-L210 HydrophobicContact CE-CD1 4.45Å; M205-L210 HydrophobicContact CG-CD1 4.26Å; M205-L210 WeakPolarHBondContact O-CB 3.35Å; M205-L210 PolarHBondContact O-N 3.35Å; D208-L210 HydrophobicContact CB-CD1 3.91Å; D208-L210 HydrophobicContact CB-CG 3.78Å; D208-L210 PolarHBondContact O-N 2.82Å |
| 211 | L | 96.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -152.8 | 160.5 | -178.7 | 41.4 | 62.1 | 0 | 0 | 0 | 111.1 | L140 Y143 F174 L202 M205 H213 | L140-L211 HydrophobicContact CD1-CB 3.99Å; L140-L211 HydrophobicContact CD1-CD2 4.11Å; L140-L211 HydrophobicContact CD1-CG 4.19Å; Y143-L211 HydrophobicContact CD1-CB 3.56Å; Y143-L211 HydrophobicContact CD2-CB 4.4Å; Y143-L211 HydrophobicContact CE1-CB 3.62Å; Y143-L211 HydrophobicContact CE2-CB 4.44Å; Y143-L211 HydrophobicContact CG-CB 3.97Å; F174-L211 HydrophobicContact CE1-CD2 4.34Å; F174-L211 HydrophobicContact CZ-CD2 3.72Å; L202-L211 HydrophobicContact CD1-CD1 3.89Å; M205-L211 HydrophobicContact CB-CD1 3.59Å; M205-L211 HydrophobicContact CB-CD2 4.45Å; M205-L211 HydrophobicContact CB-CG 4.01Å; M205-L211 HydrophobicContact CE-CD2 3.7Å; M205-L211 HydrophobicContact CE-CG 4.17Å; M205-L211 HydrophobicContact SD-CD2 4.34Å; L211-H213 PolarHBondContact O-N 2.85Å; L211-H213 VanDerWaalsContact O-N 3.12Å |
| 212 | F | 96.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | 52.8 | 32.3 | 176.2 | -64.4 | -55.7 | 0 | 0 | 0 | 115.5 | F129 Y143 W168 L172 L202 K206 D214 F215 L251 | F129-F212 HydrophobicContact CE2-CE2 4.29Å; F129-F212 HydrophobicContact CE2-CZ 4.3Å; F129-F212 HydrophobicContact CZ-CZ 4.17Å; Y143-F212 HydrophobicContact CD2-CD1 4.07Å; Y143-F212 AromaticContact CD2-CE1 3.6Å; Y143-F212 HydrophobicContact CD2-CE1 3.6Å; Y143-F212 HydrophobicContact CD2-CE2 4.14Å; Y143-F212 AromaticContact CD2-CZ 3.63Å; Y143-F212 HydrophobicContact CD2-CZ 3.63Å; Y143-F212 AromaticContact CE2-CD1 3.52Å; Y143-F212 HydrophobicContact CE2-CD1 3.52Å; Y143-F212 AromaticContact CE2-CE1 3.45Å; Y143-F212 HydrophobicContact CE2-CE1 3.45Å; Y143-F212 VanDerWaalsContact CE2-CE1 3.45Å; Y143-F212 HydrophobicContact CE2-CE2 4.5Å; Y143-F212 HydrophobicContact CE2-CG 4.08Å; Y143-F212 AromaticContact CE2-CZ 3.97Å; Y143-F212 HydrophobicContact CE2-CZ 3.97Å; Y143-F212 PolarHBondContact OH-N 2.88Å; W168-F212 HydrophobicContact CB-CE1 4.21Å; W168-F212 AromaticContact CD1-CE1 3.95Å; W168-F212 AromaticContact CD1-CZ 3.73Å; W168-F212 AromaticContact CD2-CE1 3.49Å; W168-F212 HydrophobicContact CD2-CE1 3.49Å; W168-F212 VanDerWaalsContact CD2-CE1 3.49Å; W168-F212 AromaticContact CD2-CZ 3.89Å; W168-F212 HydrophobicContact CD2-CZ 3.89Å; W168-F212 AromaticContact CE2-CE1 3.72Å; W168-F212 AromaticContact CE2-CZ 3.65Å; W168-F212 AromaticContact CE3-CE1 3.85Å; W168-F212 HydrophobicContact CE3-CE1 3.85Å; W168-F212 AromaticContact CG-CE1 3.65Å; W168-F212 HydrophobicContact CG-CE1 3.65Å; W168-F212 AromaticContact CG-CZ 3.93Å; W168-F212 HydrophobicContact CG-CZ 3.93Å; W168-F212 HydrophobicContact CZ2-CE1 4.25Å; W168-F212 HydrophobicContact CZ2-CZ 4.18Å; W168-F212 HydrophobicContact CZ3-CE1 4.35Å; W168-F212 AromaticContact NE1-CZ 3.57Å; L172-F212 HydrophobicContact CD1-CE2 4.09Å; L172-F212 HydrophobicContact CD1-CZ 4.2Å; L202-F212 HydrophobicContact CD1-CD2 3.67Å; L202-F212 HydrophobicContact CD1-CE2 4.02Å; K206-F212 WeakPolarHBondContact CE-O 3.48Å; F212-D214 PolarHBondContact O-N 2.84Å; F212-F215 HydrophobicContact CB-CB 4.03Å; F212-F215 HydrophobicContact CB-CD2 4.33Å; F212-F215 HydrophobicContact CB-CG 4.35Å; F212-F215 HydrophobicContact CD1-CB 4.31Å; F212-F215 HydrophobicContact CD1-CD1 4.12Å; F212-F215 AromaticContact CD1-CD2 3.83Å; F212-F215 HydrophobicContact CD1-CD2 3.83Å; F212-F215 HydrophobicContact CD1-CE1 4.38Å; F212-F215 HydrophobicContact CD1-CE2 4.11Å; F212-F215 AromaticContact CD1-CG 3.83Å; F212-F215 HydrophobicContact CD1-CG 3.83Å; F212-F215 HydrophobicContact CD1-CZ 4.37Å; F212-F215 PolarHBondContact O-N 2.86Å; F212-F215 VanDerWaalsContact O-N 3.1Å; F212-L251 HydrophobicContact CB-CD2 4.08Å; F212-L251 HydrophobicContact CD1-CD2 4.4Å; F212-L251 HydrophobicContact CD2-CD2 3.99Å; F212-L251 HydrophobicContact CG-CD2 3.92Å | ||
| 213 | H | 89.4 | Confident | 96.3 | Very high | 100 Ų | 100 | 52.4 Ų | 52.4 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -47.9 | -173.7 | 176.5 | -109.4 | 0 | 0 | 0 | 113.8 | K209 L211 S288 | K209-H213 WeakPolarHBondContact CE-NE2 3.23Å; K209-H213 PolarHBondContact NZ-NE2 3.21Å; K209-H213 VanDerWaalsContact NZ-NE2 3.13Å; L211-H213 PolarHBondContact O-N 2.85Å; L211-H213 VanDerWaalsContact O-N 3.12Å; H213-S288 WeakPolarHBondContact CE1-CB 3.25Å; H213-S288 PolarHBondContact CE1-OG 2.68Å |
| 214 | D | 92 | Very high | 96.3 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -4.3 | 178.6 | -70.5 | -74.9 | 0 | 0 | 0 | 114.7 | F212 M253 S286 P287 S288 | F212-D214 PolarHBondContact O-N 2.84Å; D214-M253 HydrophobicContact CB-CG 4.04Å; D214-M253 HydrophobicContact CB-SD 3.9Å; D214-S286 WeakPolarHBondContact OD2-CB 3.18Å; D214-S286 PolarHBondContact OD2-OG 2.95Å; D214-P287 HydrophobicContact CB-CB 4.42Å; D214-P287 HydrophobicContact CB-CG 4.14Å; D214-S288 WeakPolarHBondContact OD1-CB 3.29Å; D214-S288 PolarHBondContact OD1-N 3Å; D214-S288 PolarHBondContact OD1-OG 2.8Å |
| 215 | F | 96.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | trans | -85.1 | 148.1 | -177.7 | -72.5 | -111.9 | 0 | 0 | 0 | 110.9 | V166 W168 K206 F212 L251 Y252 M253 | V166-F215 HydrophobicContact CB-CE1 4.24Å; V166-F215 HydrophobicContact CB-CZ 4.49Å; V166-F215 HydrophobicContact CG1-CE1 3.65Å; V166-F215 HydrophobicContact CG1-CZ 3.82Å; W168-F215 HydrophobicContact CB-CD1 4.36Å; W168-F215 HydrophobicContact CB-CE1 3.91Å; W168-F215 HydrophobicContact CE3-CE1 4.28Å; W168-F215 HydrophobicContact CE3-CZ 4.1Å; K206-F215 WeakPolarHBondContact CE-O 3.4Å; K206-F215 PolarHBondContact NZ-O 2.75Å; F212-F215 HydrophobicContact CB-CB 4.03Å; F212-F215 HydrophobicContact CB-CD2 4.33Å; F212-F215 HydrophobicContact CB-CG 4.35Å; F212-F215 HydrophobicContact CD1-CB 4.31Å; F212-F215 HydrophobicContact CD1-CD1 4.12Å; F212-F215 AromaticContact CD1-CD2 3.83Å; F212-F215 HydrophobicContact CD1-CD2 3.83Å; F212-F215 HydrophobicContact CD1-CE1 4.38Å; F212-F215 HydrophobicContact CD1-CE2 4.11Å; F212-F215 AromaticContact CD1-CG 3.83Å; F212-F215 HydrophobicContact CD1-CG 3.83Å; F212-F215 HydrophobicContact CD1-CZ 4.37Å; F212-F215 PolarHBondContact O-N 2.86Å; F212-F215 VanDerWaalsContact O-N 3.1Å; F215-L251 HydrophobicContact CB-CB 4.25Å; F215-L251 HydrophobicContact CB-CD2 4.44Å; F215-L251 HydrophobicContact CD1-CB 4.1Å; F215-Y252 CarbonylContact C-O 3.53Å; F215-Y252 WeakPolarHBondContact CA-O 3.25Å; F215-M253 HydrophobicContact CD1-CB 3.91Å; F215-M253 HydrophobicContact CD2-CB 4.2Å; F215-M253 HydrophobicContact CD2-CG 4.43Å; F215-M253 HydrophobicContact CD2-SD 4.35Å; F215-M253 HydrophobicContact CE1-CB 3.95Å; F215-M253 HydrophobicContact CE2-CB 4.24Å; F215-M253 HydrophobicContact CE2-SD 4.02Å; F215-M253 HydrophobicContact CG-CB 4.04Å; F215-M253 HydrophobicContact CZ-CB 4.13Å; F215-M253 HydrophobicContact CZ-SD 4.45Å | ||
| 216 | N | 97 | Very high | 96.5 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 156 | 172.2 | -66.8 | -86.3 | 0 | 0 | 0 | 109.6 | L251 Y252 | N216-L251 CarbonylContact O-C 3.6Å; N216-L251 VanDerWaalsContact O-CA 3.23Å; N216-L251 WeakPolarHBondContact O-CA 3.14Å; N216-L251 WeakPolarHBondContact O-CB 3.34Å; N216-Y252 HydrophobicContact CB-CD1 3.94Å; N216-Y252 HydrophobicContact CB-CD2 4.34Å; N216-Y252 HydrophobicContact CB-CE1 3.45Å; N216-Y252 VanDerWaalsContact CB-CE1 3.45Å; N216-Y252 HydrophobicContact CB-CE2 3.91Å; N216-Y252 HydrophobicContact CB-CG 4.36Å; N216-Y252 VanDerWaalsContact CB-CZ 3.44Å; N216-Y252 PolarHBondContact N-O 3.4Å; N216-Y252 WeakPolarHBondContact O-CD1 3.42Å; N216-Y252 PolarHBondContact O-N 3.06Å |
| 217 | E | 98.1 | Very high | 96.5 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147.4 | 171.2 | -178.3 | 171.6 | -155.7 | 0 | 0 | 107.4 | R249 L251 Y313 | E217-R249 IonicContact OE1-CZ 3.85Å; E217-R249 IonicContact OE1-NE 3.69Å; E217-R249 PolarHBondContact OE1-NE 2.99Å; E217-R249 IonicContact OE1-NH2 3.36Å; E217-R249 IonicContact OE2-CZ 3.63Å; E217-R249 IonicContact OE2-NE 3.45Å; E217-R249 PolarHBondContact OE2-NE 2.85Å; E217-R249 IonicContact OE2-NH2 2.7Å; E217-R249 PolarHBondContact OE2-NH2 2.97Å; E217-L251 HydrophobicContact CB-CD2 4.43Å; E217-L251 HydrophobicContact CB-CG 4.29Å; E217-Y313 HydrophobicContact CG-CE1 3.7Å; E217-Y313 PolarHBondContact OE1-OH 3.08Å |
| 218 | G | 97.6 | Very high | 96.7 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | trans | -71.5 | 157.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I220 Y313 | G218-I220 PolarHBondContact O-N 3.12Å; G218-Y313 WeakPolarHBondContact O-CD1 3.29Å; G218-Y313 WeakPolarHBondContact O-CE1 3.11Å | ||
| 219 | T | 97.6 | Very high | 96.8 | Very high | 127 Ų | 127 | 40 Ų | 40 | 78% | 0.779 | 21% | 0.214 | S | C | * | . | trans | -62.5 | 108.9 | 175.5 | -51.2 | 0 | 0 | 0 | 0 | 111.2 | S221 | T219-S221 PolarHBondContact O-N 3.34Å; T219-S221 VanDerWaalsContact O-N 3.1Å; T219-S221 PolarHBondContact O-OG 2.86Å | ||
| 220 | I | 98.2 | Very high | 96.9 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | trans | -65.9 | 111.4 | 176.6 | -63.5 | 167.2 | 0 | 0 | 0 | 109.1 | L197 G218 F222 W246 Y313 | L197-I220 HydrophobicContact CD1-CB 4.01Å; L197-I220 HydrophobicContact CD1-CG2 4.35Å; L197-I220 HydrophobicContact CD2-CB 4.32Å; L197-I220 HydrophobicContact CD2-CD1 3.84Å; L197-I220 HydrophobicContact CD2-CG2 4.39Å; G218-I220 PolarHBondContact O-N 3.12Å; I220-F222 HydrophobicContact CB-CE1 4.24Å; I220-F222 HydrophobicContact CB-CZ 4.48Å; I220-F222 HydrophobicContact CG1-CE1 4.13Å; I220-F222 HydrophobicContact CG1-CZ 4.08Å; I220-F222 HydrophobicContact CG2-CD1 4.14Å; I220-F222 HydrophobicContact CG2-CD2 4.39Å; I220-F222 HydrophobicContact CG2-CE1 4Å; I220-F222 HydrophobicContact CG2-CE2 4.26Å; I220-F222 HydrophobicContact CG2-CG 4.35Å; I220-F222 HydrophobicContact CG2-CZ 4.06Å; I220-W246 HydrophobicContact CG2-CD2 4.22Å; I220-W246 HydrophobicContact CG2-CG 4.35Å; I220-W246 HydrophobicContact CG2-CZ2 4.01Å; I220-Y313 HydrophobicContact CG1-CD1 4.47Å; I220-Y313 HydrophobicContact CG1-CE1 3.79Å | ||
| 221 | S | 96.9 | Very high | 96.9 | Very high | 85 Ų | 85 | 36 Ų | 36 | 59% | 0.594 | 21% | 0.208 | S | C | * | . | trans | -123.1 | 11.2 | -178.6 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | T219 | T219-S221 PolarHBondContact O-N 3.34Å; T219-S221 VanDerWaalsContact O-N 3.1Å; T219-S221 PolarHBondContact O-OG 2.86Å | ||
| 222 | F | 98.2 | Very high | 96.9 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.022 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -118.4 | 152.9 | -176.8 | 54 | -88 | 0 | 0 | 0 | 110.3 | I220 T225 W246 Y313 V327 | I220-F222 HydrophobicContact CB-CE1 4.24Å; I220-F222 HydrophobicContact CB-CZ 4.48Å; I220-F222 HydrophobicContact CG1-CE1 4.13Å; I220-F222 HydrophobicContact CG1-CZ 4.08Å; I220-F222 HydrophobicContact CG2-CD1 4.14Å; I220-F222 HydrophobicContact CG2-CD2 4.39Å; I220-F222 HydrophobicContact CG2-CE1 4Å; I220-F222 HydrophobicContact CG2-CE2 4.26Å; I220-F222 HydrophobicContact CG2-CG 4.35Å; I220-F222 HydrophobicContact CG2-CZ 4.06Å; F222-T225 HydrophobicContact CD2-CG2 4.32Å; F222-T225 HydrophobicContact CE2-CG2 4.03Å; F222-W246 AromaticContact CE2-CD1 3.75Å; F222-W246 PolarHBondContact O-NE1 3.1Å; F222-Y313 AromaticContact CE1-CD1 3.86Å; F222-Y313 HydrophobicContact CE1-CD1 3.86Å; F222-Y313 AromaticContact CE1-CE1 3.97Å; F222-Y313 HydrophobicContact CE1-CE1 3.97Å; F222-Y313 HydrophobicContact CE1-CG 4.21Å; F222-Y313 HydrophobicContact CZ-CD1 4.35Å; F222-Y313 HydrophobicContact CZ-CE1 4.02Å; F222-Y313 HydrophobicContact CZ-CE2 4.39Å; F222-V327 HydrophobicContact CE2-CG2 4.08Å; F222-V327 HydrophobicContact CZ-CG1 4.26Å |
| 223 | P | 98.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | trans | -67.7 | 163.7 | -178.3 | 30.7 | -37.3 | 0 | 0 | 0 | 112.4 | V188 F193 T225 W246 | V188-P223 HydrophobicContact CG1-CB 3.99Å; F193-P223 HydrophobicContact CE1-CB 4.04Å; F193-P223 HydrophobicContact CZ-CB 3.93Å; P223-T225 PolarHBondContact O-N 2.77Å; P223-W246 PolarHBondContact O-NE1 2.71Å | ||
| 224 | P | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | trans | -49.4 | 134.3 | 174 | -31.9 | 38.7 | 0 | 0 | 0 | 113.5 | V188 L196 Y235 P244 A245 W246 | V188-P224 VanDerWaalsContact CG2-CD 3.47Å; V188-P224 HydrophobicContact CG2-CG 3.7Å; L196-P224 HydrophobicContact CD2-CG 4.15Å; P224-Y235 HydrophobicContact CB-CE1 4.34Å; P224-Y235 WeakPolarHBondContact O-CE1 3.5Å; P224-Y235 PolarHBondContact O-OH 3.35Å; P224-P244 HydrophobicContact CB-CB 3.7Å; P224-P244 HydrophobicContact CG-CB 4.04Å; P224-A245 WeakPolarHBondContact CB-O 3.45Å; P224-W246 HydrophobicContact CG-CD2 4.26Å; P224-W246 HydrophobicContact CG-CH2 4.34Å; P224-W246 HydrophobicContact CG-CZ2 3.99Å | ||
| 225 | T | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -84.1 | -18.1 | -171.7 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | F222 P223 F228 A245 T247 D248 H324 R325 V327 | F222-T225 HydrophobicContact CD2-CG2 4.32Å; F222-T225 HydrophobicContact CE2-CG2 4.03Å; P223-T225 PolarHBondContact O-N 2.77Å; T225-F228 WeakPolarHBondContact O-CD2 3.29Å; T225-F228 VanDerWaalsContact O-CE2 3.31Å; T225-F228 WeakPolarHBondContact O-CE2 3.37Å; T225-A245 PolarHBondContact N-O 3.3Å; T225-A245 VanDerWaalsContact N-O 3.08Å; T225-T247 PolarHBondContact OG1-N 2.91Å; T225-T247 PolarHBondContact OG1-OG1 2.88Å; T225-D248 WeakPolarHBondContact CB-OD2 3.23Å; T225-D248 HydrophobicContact CG2-CB 4.32Å; T225-D248 PolarHBondContact OG1-N 3.01Å; T225-D248 PolarHBondContact OG1-OD2 2.93Å; T225-H324 CarbonylContact O-C 3.47Å; T225-H324 VanDerWaalsContact O-CA 3.3Å; T225-H324 WeakPolarHBondContact O-CA 3.37Å; T225-R325 PolarHBondContact O-N 3.33Å; T225-V327 HydrophobicContact CG2-CG2 3.48Å; T225-V327 VanDerWaalsContact CG2-CG2 3.48Å | ||
| 226 | F | 98.6 | Very high | 97.6 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -134.5 | 152.5 | -179.3 | 171.4 | -96.1 | 0 | 0 | 0 | 109.9 | R242 P244 A245 T247 H324 | F226-R242 HydrophobicContact CE1-CB 4.49Å; F226-P244 CarbonylContact O-C 3.58Å; F226-P244 WeakPolarHBondContact O-CA 3.49Å; F226-A245 PolarHBondContact N-O 2.95Å; F226-A245 VanDerWaalsContact N-O 3.14Å; F226-A245 PolarHBondContact O-N 2.8Å; F226-T247 HydrophobicContact CB-CG2 4Å; F226-T247 WeakPolarHBondContact CB-OG1 3.26Å; F226-T247 HydrophobicContact CD1-CG2 3.86Å; F226-T247 HydrophobicContact CG-CG2 4.06Å; F226-H324 AromaticContact CD2-CD2 3.61Å; F226-H324 AromaticContact CD2-CE1 3.45Å; F226-H324 VanDerWaalsContact CD2-CE1 3.45Å; F226-H324 WeakPolarHBondContact CD2-CE1 3.43Å; F226-H324 AromaticContact CD2-ND1 3.98Å; F226-H324 AromaticContact CD2-NE2 3.15Å; F226-H324 WeakPolarHBondContact CD2-NE2 3.01Å; F226-H324 AromaticContact CE2-NE2 3.52Å; F226-H324 AromaticContact CG-CE1 3.99Å |
| 227 | K | 98 | Very high | 97.5 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | cis | -110.9 | 126.1 | -8 | -175.4 | -176.7 | 166.8 | -62.2 | 0 | 109.5 | Y235 D236 R242 D323 | K227-Y235 CarbonylContact O-C 3.5Å; K227-Y235 VanDerWaalsContact O-CA 3.26Å; K227-Y235 WeakPolarHBondContact O-CA 3.27Å; K227-Y235 WeakPolarHBondContact O-CD1 3.45Å; K227-D236 HydrophobicContact CB-CB 4.16Å; K227-D236 HydrophobicContact CD-CB 4.06Å; K227-D236 WeakPolarHBondContact CE-OD1 3.31Å; K227-D236 HydrophobicContact CG-CB 4.23Å; K227-D236 IonicContact NZ-OD1 2.92Å; K227-D236 PolarHBondContact NZ-OD1 2.83Å; K227-D236 PolarHBondContact O-N 2.66Å; K227-R242 HydrophobicContact CB-CB 4.2Å; K227-R242 HydrophobicContact CD-CB 4.46Å; K227-R242 HydrophobicContact CD-CG 4.16Å; K227-D323 WeakPolarHBondContact CE-OD2 3.22Å; K227-D323 HydrophobicContact CG-CB 4Å; K227-D323 WeakPolarHBondContact CG-OD2 3.45Å; K227-D323 IonicContact NZ-OD2 2.7Å | ||
| 228 | F | 98.1 | Very high | 97.4 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -88.9 | 165.7 | 174.6 | -67 | -83.8 | 0 | 0 | 0 | 112.6 | T225 T234 Y235 D323 R325 | T225-F228 WeakPolarHBondContact O-CD2 3.29Å; T225-F228 VanDerWaalsContact O-CE2 3.31Å; T225-F228 WeakPolarHBondContact O-CE2 3.37Å; F228-T234 CarbonylContact C-O 3.48Å; F228-T234 VanDerWaalsContact CA-O 3.27Å; F228-T234 WeakPolarHBondContact CA-O 3.41Å; F228-Y235 HydrophobicContact CD1-CD1 4.13Å; F228-Y235 HydrophobicContact CD1-CE1 4.17Å; F228-Y235 HydrophobicContact CD2-CE1 4.34Å; F228-Y235 AromaticContact CE1-CD1 3.93Å; F228-Y235 HydrophobicContact CE1-CD1 3.93Å; F228-Y235 AromaticContact CE1-CE1 3.55Å; F228-Y235 HydrophobicContact CE1-CE1 3.55Å; F228-Y235 HydrophobicContact CE1-CE2 4.25Å; F228-Y235 HydrophobicContact CE1-CG 4.43Å; F228-Y235 AromaticContact CE1-CZ 3.73Å; F228-Y235 HydrophobicContact CE2-CD1 4.43Å; F228-Y235 AromaticContact CE2-CE1 3.74Å; F228-Y235 HydrophobicContact CE2-CE1 3.74Å; F228-Y235 HydrophobicContact CG-CD1 4.49Å; F228-Y235 HydrophobicContact CZ-CD1 4.09Å; F228-Y235 AromaticContact CZ-CE1 3.31Å; F228-Y235 HydrophobicContact CZ-CE1 3.31Å; F228-Y235 HydrophobicContact CZ-CE2 4.47Å; F228-Y235 AromaticContact CZ-CZ 3.54Å; F228-D323 PolarHBondContact N-O 2.92Å; F228-D323 WeakPolarHBondContact O-CB 3.48Å; F228-R325 HydrophobicContact CD2-CG 4.02Å; F228-R325 HydrophobicContact CE2-CG 3.54Å; F228-R325 HydrophobicContact CZ-CG 4.15Å |
| 229 | D | 97.9 | Very high | 97.2 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 122.1 | 155.7 | -63.8 | -40.2 | 0 | 0 | 0 | 108.1 | G231 T232 T234 D236 S237 | D229-G231 PolarHBondContact O-N 3.42Å; D229-T232 WeakPolarHBondContact O-CB 3.36Å; D229-T232 PolarHBondContact O-N 2.8Å; D229-T232 PolarHBondContact O-OG1 2.94Å; D229-T234 PolarHBondContact N-O 3.07Å; D229-D236 WeakPolarHBondContact OD1-CA 3.43Å; D229-S237 VanDerWaalsContact CG-N 3.35Å; D229-S237 VanDerWaalsContact CG-OG 3.31Å; D229-S237 PolarHBondContact OD1-N 3.15Å; D229-S237 WeakPolarHBondContact OD2-CB 3.32Å; D229-S237 PolarHBondContact OD2-N 2.92Å; D229-S237 PolarHBondContact OD2-OG 3.44Å |
| 230 | K | 95.9 | Very high | 97 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 134.9 | -174.6 | -70.6 | -175.4 | 166.5 | -179.1 | 0 | 112 | G14 E16 T232 T321 D323 | G14-K230 PolarHBondContact O-NZ 2.87Å; E16-K230 IonicContact OE1-NZ 3.82Å; E16-K230 PolarHBondContact OE1-NZ 3.2Å; K230-T232 VanDerWaalsContact C-N 3.31Å; K230-T321 WeakPolarHBondContact CD-O 3.45Å; K230-T321 WeakPolarHBondContact CG-O 3.45Å; K230-D323 WeakPolarHBondContact CE-OD1 3.48Å; K230-D323 HydrophobicContact CG-CB 4.09Å |
| 231 | G | 95.4 | Very high | 96.7 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 56% | 0.557 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -5.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D229 K320 | D229-G231 PolarHBondContact O-N 3.42Å; G231-K320 WeakPolarHBondContact CA-O 3.23Å; G231-K320 PolarHBondContact N-O 2.8Å |
| 232 | T | 96.9 | Very high | 96.6 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 33% | 0.325 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -129.9 | 166.4 | -173.1 | 82.8 | 0 | 0 | 0 | 0 | 112.9 | D229 K230 T234 R325 | D229-T232 WeakPolarHBondContact O-CB 3.36Å; D229-T232 PolarHBondContact O-N 2.8Å; D229-T232 PolarHBondContact O-OG1 2.94Å; K230-T232 VanDerWaalsContact C-N 3.31Å; T232-T234 WeakPolarHBondContact OG1-CB 3.46Å; T232-T234 PolarHBondContact OG1-N 3.27Å; T232-T234 VanDerWaalsContact OG1-N 3.16Å; T232-R325 PolarHBondContact O-NH2 3.18Å |
| 233 | D | 96.7 | Very high | 96.6 | Very high | 88 Ų | 88 | 57 Ų | 57 | 47% | 0.471 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -95.4 | 13.2 | 170 | -54 | -54.4 | 0 | 0 | 0 | 113 | K320 R325 | D233-K320 WeakPolarHBondContact OD1-CE 3.38Å; D233-K320 IonicContact OD1-NZ 3.94Å; D233-K320 PolarHBondContact OD1-NZ 3.37Å; D233-K320 IonicContact OD2-NZ 3Å; D233-K320 PolarHBondContact OD2-NZ 3.12Å; D233-R325 IonicContact OD1-CZ 3.87Å; D233-R325 IonicContact OD1-NH2 3.64Å; D233-R325 PolarHBondContact OD1-NH2 2.91Å |
| 234 | T | 97.3 | Very high | 96.6 | Very high | 77 Ų | 77 | 55.7 Ų | 55.7 | 47% | 0.472 | 29% | 0.292 | S | S | . | . | trans | -80.9 | 135 | 175.2 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | F228 D229 T232 | F228-T234 CarbonylContact C-O 3.48Å; F228-T234 VanDerWaalsContact CA-O 3.27Å; F228-T234 WeakPolarHBondContact CA-O 3.41Å; D229-T234 PolarHBondContact N-O 3.07Å; T232-T234 WeakPolarHBondContact OG1-CB 3.46Å; T232-T234 PolarHBondContact OG1-N 3.27Å; T232-T234 VanDerWaalsContact OG1-N 3.16Å | ||
| 235 | Y | 98 | Very high | 96.6 | Very high | 22 Ų | 22 | 55.6 Ų | 55.6 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -81.5 | 128.5 | 172.5 | -69.9 | -73.1 | 0 | 0 | 0 | 111.5 | K181 E185 V188 P224 K227 F228 S237 P244 | K181-Y235 PolarHBondContact NZ-O 2.89Å; E185-Y235 HydrophobicContact CG-CD2 4.38Å; V188-Y235 HydrophobicContact CG1-CE2 4.08Å; P224-Y235 HydrophobicContact CB-CE1 4.34Å; P224-Y235 WeakPolarHBondContact O-CE1 3.5Å; P224-Y235 PolarHBondContact O-OH 3.35Å; K227-Y235 CarbonylContact O-C 3.5Å; K227-Y235 VanDerWaalsContact O-CA 3.26Å; K227-Y235 WeakPolarHBondContact O-CA 3.27Å; K227-Y235 WeakPolarHBondContact O-CD1 3.45Å; F228-Y235 HydrophobicContact CD1-CD1 4.13Å; F228-Y235 HydrophobicContact CD1-CE1 4.17Å; F228-Y235 HydrophobicContact CD2-CE1 4.34Å; F228-Y235 AromaticContact CE1-CD1 3.93Å; F228-Y235 HydrophobicContact CE1-CD1 3.93Å; F228-Y235 AromaticContact CE1-CE1 3.55Å; F228-Y235 HydrophobicContact CE1-CE1 3.55Å; F228-Y235 HydrophobicContact CE1-CE2 4.25Å; F228-Y235 HydrophobicContact CE1-CG 4.43Å; F228-Y235 AromaticContact CE1-CZ 3.73Å; F228-Y235 HydrophobicContact CE2-CD1 4.43Å; F228-Y235 AromaticContact CE2-CE1 3.74Å; F228-Y235 HydrophobicContact CE2-CE1 3.74Å; F228-Y235 HydrophobicContact CG-CD1 4.49Å; F228-Y235 HydrophobicContact CZ-CD1 4.09Å; F228-Y235 AromaticContact CZ-CE1 3.31Å; F228-Y235 HydrophobicContact CZ-CE1 3.31Å; F228-Y235 HydrophobicContact CZ-CE2 4.47Å; F228-Y235 AromaticContact CZ-CZ 3.54Å; Y235-S237 PolarHBondContact O-N 2.91Å; Y235-P244 HydrophobicContact CD1-CB 3.84Å; Y235-P244 HydrophobicContact CD1-CG 3.74Å; Y235-P244 HydrophobicContact CD2-CB 4.49Å; Y235-P244 HydrophobicContact CD2-CG 3.9Å; Y235-P244 HydrophobicContact CE1-CB 3.79Å; Y235-P244 HydrophobicContact CE1-CG 4.14Å; Y235-P244 HydrophobicContact CE2-CB 4.44Å; Y235-P244 HydrophobicContact CE2-CG 4.28Å; Y235-P244 HydrophobicContact CG-CB 4.21Å; Y235-P244 HydrophobicContact CG-CG 3.61Å |
| 236 | D | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | 4.4 | 85.7 | -179.5 | -170.8 | 51.4 | 0 | 0 | 0 | 115.8 | K181 K227 D229 S238 Q241 R242 | K181-D236 PolarHBondContact NZ-O 3.11Å; K227-D236 HydrophobicContact CB-CB 4.16Å; K227-D236 HydrophobicContact CD-CB 4.06Å; K227-D236 WeakPolarHBondContact CE-OD1 3.31Å; K227-D236 HydrophobicContact CG-CB 4.23Å; K227-D236 IonicContact NZ-OD1 2.92Å; K227-D236 PolarHBondContact NZ-OD1 2.83Å; K227-D236 PolarHBondContact O-N 2.66Å; D229-D236 WeakPolarHBondContact OD1-CA 3.43Å; D236-S238 VanDerWaalsContact CG-OG 3.24Å; D236-S238 PolarHBondContact O-N 2.92Å; D236-S238 VanDerWaalsContact OD1-CB 3.23Å; D236-S238 WeakPolarHBondContact OD1-CB 3.29Å; D236-S238 PolarHBondContact OD1-OG 3.15Å; D236-S238 PolarHBondContact OD2-OG 3.22Å; D236-S238 VanDerWaalsContact OD2-OG 3.1Å; D236-Q241 PolarHBondContact O-NE2 2.88Å; D236-Q241 WeakPolarHBondContact OD2-CA 3.36Å; D236-Q241 PolarHBondContact OD2-N 3.13Å; D236-Q241 VanDerWaalsContact OD2-N 3.1Å; D236-R242 HydrophobicContact CB-CB 4.2Å; D236-R242 WeakPolarHBondContact OD2-CG 3.18Å; D236-R242 PolarHBondContact OD2-N 2.93Å | ||
| 237 | S | 95.9 | Very high | 96.7 | Very high | 79 Ų | 79 | 54.9 Ų | 54.9 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | trans | -74.5 | -5.3 | 171.8 | 65.6 | 0 | 0 | 0 | 0 | 113.1 | D229 Y235 Q241 | D229-S237 VanDerWaalsContact CG-N 3.35Å; D229-S237 VanDerWaalsContact CG-OG 3.31Å; D229-S237 PolarHBondContact OD1-N 3.15Å; D229-S237 WeakPolarHBondContact OD2-CB 3.32Å; D229-S237 PolarHBondContact OD2-N 2.92Å; D229-S237 PolarHBondContact OD2-OG 3.44Å; Y235-S237 PolarHBondContact O-N 2.91Å; S237-Q241 VanDerWaalsContact C-NE2 3.25Å; S237-Q241 PolarHBondContact O-NE2 3.23Å; S237-Q241 VanDerWaalsContact O-NE2 3.07Å | ||
| 238 | S | 95.1 | Very high | 96.7 | Very high | 44 Ų | 44 | 53 Ų | 53 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -59.7 | 165.4 | 177.3 | 89.8 | 0 | 0 | 0 | 0 | 113.1 | D236 K240 Q241 | D236-S238 VanDerWaalsContact CG-OG 3.24Å; D236-S238 PolarHBondContact O-N 2.92Å; D236-S238 VanDerWaalsContact OD1-CB 3.23Å; D236-S238 WeakPolarHBondContact OD1-CB 3.29Å; D236-S238 PolarHBondContact OD1-OG 3.15Å; D236-S238 PolarHBondContact OD2-OG 3.22Å; D236-S238 VanDerWaalsContact OD2-OG 3.1Å; S238-K240 PolarHBondContact O-N 3.44Å; S238-K240 PolarHBondContact OG-N 3.5Å; S238-Q241 PolarHBondContact O-N 2.9Å; S238-Q241 VanDerWaalsContact O-N 3.09Å; S238-Q241 PolarHBondContact O-NE2 2.74Å |
| 239 | K | 94 | Very high | 96.7 | Very high | 219 Ų | 219 | 52.5 Ų | 52.5 | 95% | 0.952 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -12 | 175.4 | -64 | -177.1 | 179.7 | -179.9 | 0 | 114.4 | ||
| 240 | K | 92.9 | Very high | 96.8 | Very high | 151 Ų | 151 | 51.2 Ų | 51.2 | 66% | 0.657 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -16.4 | 179.4 | -64.4 | -179.4 | -178.5 | 174.2 | 0 | 113.5 | S238 R242 | S238-K240 PolarHBondContact O-N 3.44Å; S238-K240 PolarHBondContact OG-N 3.5Å; K240-R242 HydrophobicContact CB-CG 4.3Å; K240-R242 PolarHBondContact O-N 3.05Å; K240-R242 VanDerWaalsContact O-N 3.08Å |
| 241 | Q | 92.3 | Very high | 96.9 | Very high | 93 Ų | 93 | 47.1 Ų | 47.1 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | trans | 36.7 | 52.1 | 177.9 | -66.4 | -64.9 | -51.9 | 0 | 0 | 113.4 | K181 D236 S237 S238 V243 | K181-Q241 HydrophobicContact CD-CB 4.17Å; D236-Q241 PolarHBondContact O-NE2 2.88Å; D236-Q241 WeakPolarHBondContact OD2-CA 3.36Å; D236-Q241 PolarHBondContact OD2-N 3.13Å; D236-Q241 VanDerWaalsContact OD2-N 3.1Å; S237-Q241 VanDerWaalsContact C-NE2 3.25Å; S237-Q241 PolarHBondContact O-NE2 3.23Å; S237-Q241 VanDerWaalsContact O-NE2 3.07Å; S238-Q241 PolarHBondContact O-N 2.9Å; S238-Q241 VanDerWaalsContact O-N 3.09Å; S238-Q241 PolarHBondContact O-NE2 2.74Å; Q241-V243 PolarHBondContact O-N 3.09Å | ||
| 242 | R | 95.8 | Very high | 97.1 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 27% | 0.268 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -60.1 | 128.3 | -176.6 | -64.4 | -50.7 | -160.9 | -177.4 | 8.2 | 110.3 | H132 F226 K227 D236 K240 | H132-R242 PolarHBondContact CE1-NH2 2.91Å; H132-R242 PolarHBondContact ND1-NH2 2.92Å; F226-R242 HydrophobicContact CE1-CB 4.49Å; K227-R242 HydrophobicContact CB-CB 4.2Å; K227-R242 HydrophobicContact CD-CB 4.46Å; K227-R242 HydrophobicContact CD-CG 4.16Å; D236-R242 HydrophobicContact CB-CB 4.2Å; D236-R242 WeakPolarHBondContact OD2-CG 3.18Å; D236-R242 PolarHBondContact OD2-N 2.93Å; K240-R242 HydrophobicContact CB-CG 4.3Å; K240-R242 PolarHBondContact O-N 3.05Å; K240-R242 VanDerWaalsContact O-N 3.08Å |
| 243 | V | 97.9 | Very high | 97 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 22% | 0.218 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 131.3 | 171.8 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | I176 K181 V184 Q241 | I176-V243 HydrophobicContact CB-CG1 4.33Å; K181-V243 HydrophobicContact CB-CG2 4.25Å; V184-V243 HydrophobicContact CB-CG1 4.07Å; V184-V243 HydrophobicContact CG1-CG1 4.37Å; V184-V243 HydrophobicContact CG2-CG1 3.58Å; Q241-V243 PolarHBondContact O-N 3.09Å |
| 244 | P | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 143 | 177.1 | -24.6 | 33.1 | 0 | 0 | 0 | 112.6 | I176 V184 E185 P224 F226 Y235 | I176-P244 WeakPolarHBondContact CG1-O 3.26Å; V184-P244 HydrophobicContact CG1-CB 3.81Å; V184-P244 HydrophobicContact CG1-CG 3.91Å; E185-P244 HydrophobicContact CG-CG 4.21Å; P224-P244 HydrophobicContact CB-CB 3.7Å; P224-P244 HydrophobicContact CG-CB 4.04Å; F226-P244 CarbonylContact O-C 3.58Å; F226-P244 WeakPolarHBondContact O-CA 3.49Å; Y235-P244 HydrophobicContact CD1-CB 3.84Å; Y235-P244 HydrophobicContact CD1-CG 3.74Å; Y235-P244 HydrophobicContact CD2-CB 4.49Å; Y235-P244 HydrophobicContact CD2-CG 3.9Å; Y235-P244 HydrophobicContact CE1-CB 3.79Å; Y235-P244 HydrophobicContact CE1-CG 4.14Å; Y235-P244 HydrophobicContact CE2-CB 4.44Å; Y235-P244 HydrophobicContact CE2-CG 4.28Å; Y235-P244 HydrophobicContact CG-CB 4.21Å; Y235-P244 HydrophobicContact CG-CG 3.61Å |
| 245 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -149.5 | 158.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | I176 P224 T225 F226 T247 | I176-A245 HydrophobicContact CG1-CB 4.34Å; P224-A245 WeakPolarHBondContact CB-O 3.45Å; T225-A245 PolarHBondContact N-O 3.3Å; T225-A245 VanDerWaalsContact N-O 3.08Å; F226-A245 PolarHBondContact N-O 2.95Å; F226-A245 VanDerWaalsContact N-O 3.14Å; F226-A245 PolarHBondContact O-N 2.8Å; A245-T247 HydrophobicContact CB-CG2 4.25Å; A245-T247 PolarHBondContact O-N 2.83Å |
| 246 | W | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -89.2 | 78.7 | 166.9 | -63.4 | -82.2 | 0 | 0 | 0 | 109.4 | I176 F193 L196 L197 I220 F222 P223 P224 R249 | I176-W246 HydrophobicContact CD1-CE3 3.93Å; I176-W246 HydrophobicContact CD1-CZ3 3.86Å; F193-W246 HydrophobicContact CB-CH2 4.18Å; F193-W246 HydrophobicContact CB-CZ2 4.09Å; F193-W246 HydrophobicContact CD1-CH2 4.34Å; F193-W246 AromaticContact CD1-CZ2 3.94Å; F193-W246 HydrophobicContact CD1-CZ2 3.94Å; F193-W246 HydrophobicContact CG-CZ2 4.17Å; L196-W246 HydrophobicContact CB-CH2 4.05Å; L196-W246 HydrophobicContact CB-CZ3 4.31Å; L196-W246 HydrophobicContact CD2-CH2 3.6Å; L196-W246 HydrophobicContact CD2-CZ2 4.45Å; L196-W246 HydrophobicContact CD2-CZ3 3.94Å; L196-W246 HydrophobicContact CG-CH2 3.76Å; L196-W246 HydrophobicContact CG-CZ3 3.74Å; L197-W246 HydrophobicContact CD2-CD2 4.11Å; L197-W246 HydrophobicContact CD2-CE3 3.53Å; L197-W246 HydrophobicContact CD2-CH2 3.83Å; L197-W246 HydrophobicContact CD2-CZ2 4.39Å; L197-W246 HydrophobicContact CD2-CZ3 3.37Å; L197-W246 HydrophobicContact CG-CE3 4.33Å; L197-W246 HydrophobicContact CG-CH2 3.74Å; L197-W246 HydrophobicContact CG-CZ2 4.48Å; L197-W246 HydrophobicContact CG-CZ3 3.66Å; I220-W246 HydrophobicContact CG2-CD2 4.22Å; I220-W246 HydrophobicContact CG2-CG 4.35Å; I220-W246 HydrophobicContact CG2-CZ2 4.01Å; F222-W246 AromaticContact CE2-CD1 3.75Å; F222-W246 PolarHBondContact O-NE1 3.1Å; P223-W246 PolarHBondContact O-NE1 2.71Å; P224-W246 HydrophobicContact CG-CD2 4.26Å; P224-W246 HydrophobicContact CG-CH2 4.34Å; P224-W246 HydrophobicContact CG-CZ2 3.99Å; W246-R249 WeakPolarHBondContact O-CD 3.32Å; W246-R249 PolarHBondContact O-NH1 2.94Å | ||
| 247 | T | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -75.3 | -37.4 | 176.5 | 40.1 | 0 | 0 | 0 | 0 | 112.2 | D171 L172 N173 T225 F226 A245 | D171-T247 WeakPolarHBondContact OD1-CB 3.31Å; L172-T247 PolarHBondContact N-O 2.89Å; N173-T247 PolarHBondContact N-O 2.61Å; T225-T247 PolarHBondContact OG1-N 2.91Å; T225-T247 PolarHBondContact OG1-OG1 2.88Å; F226-T247 HydrophobicContact CB-CG2 4Å; F226-T247 WeakPolarHBondContact CB-OG1 3.26Å; F226-T247 HydrophobicContact CD1-CG2 3.86Å; F226-T247 HydrophobicContact CG-CG2 4.06Å; A245-T247 HydrophobicContact CB-CG2 4.25Å; A245-T247 PolarHBondContact O-N 2.83Å | ||
| 248 | D | 98.9 | Very high | 94 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 117 | -174.6 | -50 | -106 | 0 | 0 | 0 | 108.8 | T10 G170 T225 H324 V327 | T10-D248 HydrophobicContact CG2-CB 4.26Å; G170-D248 WeakPolarHBondContact O-CA 3.38Å; T225-D248 WeakPolarHBondContact CB-OD2 3.23Å; T225-D248 HydrophobicContact CG2-CB 4.32Å; T225-D248 PolarHBondContact OG1-N 3.01Å; T225-D248 PolarHBondContact OG1-OD2 2.93Å; D248-H324 VanDerWaalsContact CG-ND1 3.35Å; D248-H324 IonicContact OD1-CG 3.14Å; D248-H324 IonicContact OD1-ND1 3.75Å; D248-H324 PolarHBondContact OD1-ND1 3.18Å; D248-H324 VanDerWaalsContact OD1-ND1 3.1Å; D248-H324 IonicContact OD2-CE1 2.74Å; D248-H324 IonicContact OD2-CG 3.26Å; D248-H324 IonicContact OD2-ND1 2.66Å; D248-H324 PolarHBondContact OD2-ND1 2.97Å; D248-V327 HydrophobicContact CB-CB 4.47Å; D248-V327 HydrophobicContact CB-CG2 3.86Å |
| 249 | R | 98.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 151.5 | -168.5 | -53.3 | -66 | -89.2 | -92.4 | -0.3 | 112 | M169 G170 L172 D200 L202 E217 W246 L251 | M169-R249 WeakPolarHBondContact CA-O 3.19Å; G170-R249 PolarHBondContact N-O 2.63Å; G170-R249 PolarHBondContact O-N 3.2Å; L172-R249 HydrophobicContact CD1-CB 3.93Å; L172-R249 HydrophobicContact CD1-CG 4.48Å; L172-R249 HydrophobicContact CG-CB 4.23Å; D200-R249 VanDerWaalsContact CG-NH1 3.3Å; D200-R249 IonicContact OD1-CZ 3.96Å; D200-R249 IonicContact OD1-NH1 3.78Å; D200-R249 PolarHBondContact OD1-NH1 2.89Å; D200-R249 IonicContact OD2-CZ 3.33Å; D200-R249 IonicContact OD2-NH1 3.28Å; D200-R249 PolarHBondContact OD2-NH1 2.75Å; D200-R249 IonicContact OD2-NH2 3.57Å; D200-R249 PolarHBondContact OD2-NH2 3.12Å; L202-R249 HydrophobicContact CD2-CB 4.3Å; L202-R249 HydrophobicContact CD2-CG 3.89Å; E217-R249 IonicContact OE1-CZ 3.85Å; E217-R249 IonicContact OE1-NE 3.69Å; E217-R249 PolarHBondContact OE1-NE 2.99Å; E217-R249 IonicContact OE1-NH2 3.36Å; E217-R249 IonicContact OE2-CZ 3.63Å; E217-R249 IonicContact OE2-NE 3.45Å; E217-R249 PolarHBondContact OE2-NE 2.85Å; E217-R249 IonicContact OE2-NH2 2.7Å; E217-R249 PolarHBondContact OE2-NH2 2.97Å; W246-R249 WeakPolarHBondContact O-CD 3.32Å; W246-R249 PolarHBondContact O-NH1 2.94Å; R249-L251 HydrophobicContact CB-CD1 4.02Å |
| 250 | I | 98.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 113.6 | 170.1 | -57.3 | 173.1 | 0 | 0 | 0 | 109.4 | C8 T10 W168 M169 Y313 V327 A329 F331 | C8-I250 HydrophobicContact CB-CD1 4.04Å; C8-I250 HydrophobicContact CB-CG2 4.15Å; T10-I250 HydrophobicContact CG2-CD1 4.39Å; T10-I250 HydrophobicContact CG2-CG1 3.99Å; W168-I250 WeakPolarHBondContact O-CA 3.41Å; M169-I250 HydrophobicContact CB-CG1 4.23Å; M169-I250 HydrophobicContact CG-CB 4.44Å; M169-I250 HydrophobicContact CG-CG1 4.01Å; M169-I250 HydrophobicContact CG-CG2 3.96Å; I250-Y313 HydrophobicContact CB-CE2 3.87Å; I250-Y313 HydrophobicContact CG1-CE2 4.39Å; I250-Y313 PolarHBondContact N-OH 3.13Å; I250-V327 HydrophobicContact CD1-CG1 4.21Å; I250-V327 HydrophobicContact CG1-CG1 4.34Å; I250-A329 HydrophobicContact CB-CB 4.02Å; I250-A329 HydrophobicContact CD1-CB 3.79Å; I250-A329 HydrophobicContact CG2-CB 3.72Å; I250-F331 HydrophobicContact CG2-CZ 4.47Å |
| 251 | L | 98.7 | Very high | 91 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 155.7 | 175.2 | -57.5 | 93.4 | 0 | 0 | 0 | 109.9 | W168 L172 L202 F212 F215 N216 E217 R249 | W168-L251 PolarHBondContact N-O 2.94Å; W168-L251 PolarHBondContact O-N 2.92Å; L172-L251 HydrophobicContact CD1-CD1 3.53Å; L202-L251 HydrophobicContact CD2-CD1 4.18Å; L202-L251 HydrophobicContact CD2-CD2 4.45Å; F212-L251 HydrophobicContact CB-CD2 4.08Å; F212-L251 HydrophobicContact CD1-CD2 4.4Å; F212-L251 HydrophobicContact CD2-CD2 3.99Å; F212-L251 HydrophobicContact CG-CD2 3.92Å; F215-L251 HydrophobicContact CB-CB 4.25Å; F215-L251 HydrophobicContact CB-CD2 4.44Å; F215-L251 HydrophobicContact CD1-CB 4.1Å; N216-L251 CarbonylContact O-C 3.6Å; N216-L251 VanDerWaalsContact O-CA 3.23Å; N216-L251 WeakPolarHBondContact O-CA 3.14Å; N216-L251 WeakPolarHBondContact O-CB 3.34Å; E217-L251 HydrophobicContact CB-CD2 4.43Å; E217-L251 HydrophobicContact CB-CG 4.29Å; R249-L251 HydrophobicContact CB-CD1 4.02Å |
| 252 | Y | 98.5 | Very high | 89.8 | Confident | 33 Ų | 33 | 20.5 Ų | 20.5 | 13% | 0.129 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 140.5 | -178.4 | 69 | -76.7 | 0 | 0 | 0 | 113.2 | V166 F215 N216 V254 A308 F331 | V166-Y252 CarbonylContact O-C 3.52Å; V166-Y252 WeakPolarHBondContact O-CA 3.2Å; F215-Y252 CarbonylContact C-O 3.53Å; F215-Y252 WeakPolarHBondContact CA-O 3.25Å; N216-Y252 HydrophobicContact CB-CD1 3.94Å; N216-Y252 HydrophobicContact CB-CD2 4.34Å; N216-Y252 HydrophobicContact CB-CE1 3.45Å; N216-Y252 VanDerWaalsContact CB-CE1 3.45Å; N216-Y252 HydrophobicContact CB-CE2 3.91Å; N216-Y252 HydrophobicContact CB-CG 4.36Å; N216-Y252 VanDerWaalsContact CB-CZ 3.44Å; N216-Y252 PolarHBondContact N-O 3.4Å; N216-Y252 WeakPolarHBondContact O-CD1 3.42Å; N216-Y252 PolarHBondContact O-N 3.06Å; Y252-V254 HydrophobicContact CD2-CG2 3.95Å; Y252-V254 HydrophobicContact CE2-CG2 4.32Å; Y252-A308 HydrophobicContact CD2-CB 4.17Å; Y252-A308 HydrophobicContact CE2-CB 4.12Å; Y252-F331 AromaticContact CD1-CE1 3.5Å; Y252-F331 HydrophobicContact CD1-CE1 3.5Å; Y252-F331 AromaticContact CD1-CZ 3.86Å; Y252-F331 HydrophobicContact CD1-CZ 3.86Å; Y252-F331 HydrophobicContact CD2-CD1 4.45Å; Y252-F331 AromaticContact CD2-CE1 3.87Å; Y252-F331 HydrophobicContact CD2-CE1 3.87Å; Y252-F331 AromaticContact CE1-CE1 3.85Å; Y252-F331 HydrophobicContact CE1-CE1 3.85Å; Y252-F331 HydrophobicContact CE2-CE1 4.2Å; Y252-F331 HydrophobicContact CG-CD1 4.46Å; Y252-F331 AromaticContact CG-CE1 3.51Å; Y252-F331 HydrophobicContact CG-CE1 3.51Å; Y252-F331 AromaticContact CG-CZ 3.95Å; Y252-F331 HydrophobicContact CG-CZ 3.95Å |
| 253 | M | 96.5 | Very high | 88.2 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 143.9 | 174 | -163.3 | -170.3 | 81.9 | 0 | 0 | 109.2 | I161 V166 D214 F215 P287 | I161-M253 HydrophobicContact CB-CE 4.14Å; I161-M253 WeakPolarHBondContact O-CE 3.32Å; V166-M253 HydrophobicContact CB-CB 3.99Å; V166-M253 HydrophobicContact CG2-CB 4.32Å; V166-M253 HydrophobicContact CG2-CE 3.88Å; V166-M253 PolarHBondContact N-O 3.37Å; V166-M253 PolarHBondContact O-N 2.85Å; D214-M253 HydrophobicContact CB-CG 4.04Å; D214-M253 HydrophobicContact CB-SD 3.9Å; F215-M253 HydrophobicContact CD1-CB 3.91Å; F215-M253 HydrophobicContact CD2-CB 4.2Å; F215-M253 HydrophobicContact CD2-CG 4.43Å; F215-M253 HydrophobicContact CD2-SD 4.35Å; F215-M253 HydrophobicContact CE1-CB 3.95Å; F215-M253 HydrophobicContact CE2-CB 4.24Å; F215-M253 HydrophobicContact CE2-SD 4.02Å; F215-M253 HydrophobicContact CG-CB 4.04Å; F215-M253 HydrophobicContact CZ-CB 4.13Å; F215-M253 HydrophobicContact CZ-SD 4.45Å; M253-P287 HydrophobicContact CE-CG 3.8Å; M253-P287 HydrophobicContact CG-CG 3.75Å; M253-P287 WeakPolarHBondContact SD-CD 3.5Å; M253-P287 HydrophobicContact SD-CG 3.7Å |
| 254 | V | 94.2 | Very high | 86.4 | Confident | 32 Ų | 32 | 20 Ų | 20 | 19% | 0.194 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 131.9 | -178.9 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | D164 Y165 Y252 P306 A308 | D164-V254 WeakPolarHBondContact O-CA 3.46Å; Y165-V254 HydrophobicContact CD1-CB 4.46Å; Y165-V254 HydrophobicContact CD1-CG1 3.89Å; Y165-V254 HydrophobicContact CD1-CG2 4.04Å; Y165-V254 HydrophobicContact CE1-CG1 3.64Å; Y165-V254 HydrophobicContact CE1-CG2 4.33Å; Y252-V254 HydrophobicContact CD2-CG2 3.95Å; Y252-V254 HydrophobicContact CE2-CG2 4.32Å; V254-P306 HydrophobicContact CG1-CB 3.86Å; V254-A308 HydrophobicContact CG2-CB 3.57Å |
| 255 | H | 88 | Confident | 84.6 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | trans | -79.6 | 160.7 | 173.6 | -95.1 | -67.9 | 0 | 0 | 0 | 112.7 | I161 H163 D164 D257 G285 P306 | I161-H255 PolarHBondContact O-NE2 2.89Å; H163-H255 PolarHBondContact O-CD2 2.88Å; D164-H255 PolarHBondContact O-N 3.34Å; D164-H255 VanDerWaalsContact O-N 3.12Å; H255-D257 WeakPolarHBondContact CB-O 3.14Å; H255-G285 PolarHBondContact CE1-O 3.14Å; H255-G285 VanDerWaalsContact CE1-O 3.26Å; H255-P306 WeakPolarHBondContact O-CB 3.32Å; H255-P306 VanDerWaalsContact O-CG 3.3Å; H255-P306 WeakPolarHBondContact O-CG 3.4Å | ||
| 256 | R | 79.3 | Confident | 82.8 | Confident | 121 Ų | 121 | 23.9 Ų | 23.9 | 46% | 0.457 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -85.7 | -13.6 | 177.6 | -61.5 | -176.6 | -177.1 | -141 | -1.4 | 113 | E291 H305 P306 | R256-E291 WeakPolarHBondContact CD-OE2 3.37Å; R256-E291 VanDerWaalsContact CZ-CD 3.48Å; R256-E291 IonicContact CZ-OE1 3.39Å; R256-E291 IonicContact CZ-OE2 3.08Å; R256-E291 VanDerWaalsContact CZ-OE2 3.25Å; R256-E291 IonicContact NE-OE2 2.8Å; R256-E291 PolarHBondContact NE-OE2 2.84Å; R256-E291 IonicContact NH1-OE1 2.61Å; R256-E291 PolarHBondContact NH1-OE1 2.53Å; R256-E291 VanDerWaalsContact NH1-OE1 3.08Å; R256-E291 IonicContact NH1-OE2 3.38Å; R256-E291 PolarHBondContact NH1-OE2 2.95Å; R256-H305 PolarHBondContact O-ND1 3.01Å; R256-P306 WeakPolarHBondContact O-CD 3.45Å |
| 257 | D | 78.6 | Confident | 80.9 | Confident | 22 Ų | 22 | 27 Ų | 27 | 12% | 0.118 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -129.9 | 164.4 | 173 | 53.7 | -1.5 | 0 | 0 | 0 | 110.6 | H255 D261 H262 R284 P306 | H255-D257 WeakPolarHBondContact CB-O 3.14Å; D257-D261 HydrophobicContact CB-CB 4.36Å; D257-H262 IonicContact OD1-ND1 2.73Å; D257-H262 WeakPolarHBondContact OD2-CB 3.1Å; D257-H262 IonicContact OD2-CE1 2.74Å; D257-H262 IonicContact OD2-CG 3.08Å; D257-H262 IonicContact OD2-ND1 2.73Å; D257-H262 PolarHBondContact OD2-ND1 2.83Å; D257-R284 PolarHBondContact O-NH2 2.7Å; D257-R284 IonicContact OD1-CZ 3.99Å; D257-R284 IonicContact OD1-NE 3.49Å; D257-R284 IonicContact OD1-NH2 2.89Å; D257-R284 PolarHBondContact OD1-NH2 2.93Å; D257-P306 VanDerWaalsContact C-CG 3.42Å; D257-P306 WeakPolarHBondContact O-CG 3.48Å |
| 258 | F | 82 | Confident | 79 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | trans | -83.1 | 149.3 | 164.9 | -63.8 | -71.7 | 0 | 0 | 0 | 109 | I120 D164 Y165 L260 D261 H262 P306 P336 | I120-F258 HydrophobicContact CB-CE1 4.49Å; I120-F258 HydrophobicContact CG2-CD1 3.83Å; I120-F258 HydrophobicContact CG2-CE1 3.43Å; I120-F258 VanDerWaalsContact CG2-CE1 3.43Å; I120-F258 HydrophobicContact CG2-CZ 4.31Å; D164-F258 HydrophobicContact CB-CD1 4.29Å; D164-F258 VanDerWaalsContact OD1-CA 3.3Å; D164-F258 WeakPolarHBondContact OD1-CA 3.22Å; Y165-F258 HydrophobicContact CE2-CE1 4.36Å; F258-L260 PolarHBondContact O-N 3.2Å; F258-L260 VanDerWaalsContact O-N 3.14Å; F258-D261 WeakPolarHBondContact O-CA 3.44Å; F258-D261 WeakPolarHBondContact O-CB 3.37Å; F258-D261 PolarHBondContact O-N 2.95Å; F258-H262 PolarHBondContact O-N 2.95Å; F258-P306 HydrophobicContact CD1-CB 4.38Å; F258-P306 HydrophobicContact CD1-CG 3.8Å; F258-P306 HydrophobicContact CD2-CG 4.32Å; F258-P306 HydrophobicContact CE1-CB 3.84Å; F258-P306 HydrophobicContact CE1-CG 3.7Å; F258-P306 HydrophobicContact CE2-CG 4.25Å; F258-P306 HydrophobicContact CG-CG 4.1Å; F258-P306 HydrophobicContact CZ-CB 4.1Å; F258-P306 HydrophobicContact CZ-CG 3.95Å; F258-P336 HydrophobicContact CD2-CB 4.49Å; F258-P336 HydrophobicContact CE2-CB 4.35Å | ||
| 259 | A | 79.2 | Confident | 77 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -53.7 | -38.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V157 D164 D261 H262 H263 | V157-A259 HydrophobicContact CG2-CB 3.33Å; D164-A259 PolarHBondContact OD1-N 3.02Å; A259-D261 VanDerWaalsContact C-N 3.33Å; A259-D261 PolarHBondContact O-N 2.85Å; A259-H262 VanDerWaalsContact O-CB 3.31Å; A259-H262 WeakPolarHBondContact O-CB 3.35Å; A259-H262 PolarHBondContact O-N 2.74Å; A259-H263 PolarHBondContact O-N 3.04Å |
| 260 | L | 69.5 | Low | 75 | Confident | 55 Ų | 55 | 43.6 Ų | 43.6 | 29% | 0.288 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.5 | -35.6 | 175.3 | -70.2 | 81.9 | 0 | 0 | 0 | 112.8 | F258 | F258-L260 PolarHBondContact O-N 3.2Å; F258-L260 VanDerWaalsContact O-N 3.14Å |
| 261 | D | 69.2 | Low | 73 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 23% | 0.225 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.5 | -32.6 | 172.9 | -91 | -57.3 | 0 | 0 | 0 | 111.3 | D257 F258 A259 L264 N265 R303 | D257-D261 HydrophobicContact CB-CB 4.36Å; F258-D261 WeakPolarHBondContact O-CA 3.44Å; F258-D261 WeakPolarHBondContact O-CB 3.37Å; F258-D261 PolarHBondContact O-N 2.95Å; A259-D261 VanDerWaalsContact C-N 3.33Å; A259-D261 PolarHBondContact O-N 2.85Å; D261-L264 PolarHBondContact O-N 3.21Å; D261-N265 PolarHBondContact O-N 2.77Å; D261-N265 PolarHBondContact O-ND2 2.88Å; D261-R303 IonicContact OD1-CZ 2.65Å; D261-R303 IonicContact OD1-NE 3.04Å; D261-R303 PolarHBondContact OD1-NE 2.83Å; D261-R303 IonicContact OD1-NH2 2.75Å; D261-R303 PolarHBondContact OD1-NH2 3.06Å |
| 262 | H | 66.9 | Low | 70.9 | Confident | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -46 | -178.4 | -163 | 84.3 | 0 | 0 | 0 | 112 | D257 F258 A259 L264 N265 L266 R284 | D257-H262 IonicContact OD1-ND1 2.73Å; D257-H262 WeakPolarHBondContact OD2-CB 3.1Å; D257-H262 IonicContact OD2-CE1 2.74Å; D257-H262 IonicContact OD2-CG 3.08Å; D257-H262 IonicContact OD2-ND1 2.73Å; D257-H262 PolarHBondContact OD2-ND1 2.83Å; F258-H262 PolarHBondContact O-N 2.95Å; A259-H262 VanDerWaalsContact O-CB 3.31Å; A259-H262 WeakPolarHBondContact O-CB 3.35Å; A259-H262 PolarHBondContact O-N 2.74Å; H262-L264 VanDerWaalsContact C-N 3.27Å; H262-L264 PolarHBondContact O-N 3.45Å; H262-N265 PolarHBondContact O-N 2.8Å; H262-L266 PolarHBondContact O-N 2.75Å; H262-L266 VanDerWaalsContact O-N 3.14Å; H262-R284 HydrophobicContact CB-CG 4.49Å |
| 263 | H | 62.1 | Low | 68.9 | Low | 35 Ų | 35 | 63.4 Ų | 63.4 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.6 | -31.2 | -178.5 | -81.6 | -124.5 | 0 | 0 | 0 | 112.9 | D156 A259 N265 R271 V283 | D156-H263 IonicContact OD1-CE1 2.7Å; D156-H263 PolarHBondContact OD1-CE1 2.98Å; D156-H263 IonicContact OD1-CG 3.97Å; D156-H263 IonicContact OD1-ND1 3.47Å; D156-H263 PolarHBondContact OD1-ND1 3.13Å; D156-H263 IonicContact OD1-NE2 3.25Å; D156-H263 IonicContact OD2-ND1 3.6Å; A259-H263 PolarHBondContact O-N 3.04Å; H263-N265 VanDerWaalsContact C-N 3.32Å; H263-R271 PolarHBondContact O-NH2 2.93Å; H263-V283 VanDerWaalsContact NE2-CG1 3.3Å; H263-V283 WeakPolarHBondContact NE2-CG1 3.4Å |
| 264 | L | 61.9 | Low | 66.6 | Low | 61 Ų | 61 | 72 Ų | 72 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.8 | -32.4 | 171.8 | -62.7 | 174.3 | 0 | 0 | 0 | 112.4 | D261 H262 R271 L419 L422 | D261-L264 PolarHBondContact O-N 3.21Å; H262-L264 VanDerWaalsContact C-N 3.27Å; H262-L264 PolarHBondContact O-N 3.45Å; L264-R271 PolarHBondContact O-NH2 2.68Å; L264-L419 HydrophobicContact CD2-CD2 4.41Å; L264-L422 HydrophobicContact CD2-CD1 4.18Å; L264-L422 HydrophobicContact CD2-CG 4.14Å |
| 265 | N | 60.5 | Low | 64.5 | Low | 62 Ų | 62 | 74.9 Ų | 74.9 | 33% | 0.332 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -85.5 | -18 | -177.6 | -54.5 | -37.6 | 0 | 0 | 0 | 113.4 | D261 H262 H263 R303 | D261-N265 PolarHBondContact O-N 2.77Å; D261-N265 PolarHBondContact O-ND2 2.88Å; H262-N265 PolarHBondContact O-N 2.8Å; H263-N265 VanDerWaalsContact C-N 3.32Å; N265-R303 PolarHBondContact OD1-NH1 2.87Å; N265-R303 PolarHBondContact OD1-NH2 2.85Å |
| 266 | L | 60.3 | Low | 62.3 | Low | 20 Ų | 20 | 78.3 Ų | 78.3 | 11% | 0.105 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -71.3 | 128.8 | 178.9 | -77 | 175.7 | 0 | 0 | 0 | 112 | H262 N270 R271 | H262-L266 PolarHBondContact O-N 2.75Å; H262-L266 VanDerWaalsContact O-N 3.14Å; L266-N270 HydrophobicContact CD2-CB 4.5Å; L266-R271 HydrophobicContact CB-CG 4.49Å; L266-R271 PolarHBondContact O-NE 3.35Å; L266-R271 PolarHBondContact O-NH2 2.88Å |
| 267 | P | 58.7 | Low | 60.9 | Low | 66 Ų | 66 | 79.2 Ų | 79.2 | 43% | 0.429 | 42% | 0.419 | S | S | . | . | trans | -58.4 | 146.9 | 171.5 | -24 | 34 | 0 | 0 | 0 | 112.5 | T269 N270 R271 | P267-T269 PolarHBondContact O-N 3.17Å; P267-T269 VanDerWaalsContact O-N 3.16Å; P267-N270 WeakPolarHBondContact O-CB 3.11Å; P267-N270 PolarHBondContact O-N 2.88Å; P267-R271 PolarHBondContact O-N 3.24Å | ||
| 268 | E | 57.8 | Low | 59.5 | Low | 149 Ų | 149 | 82.7 Ų | 82.7 | 70% | 0.696 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -55.7 | -36.6 | -175.5 | -61.9 | -179.7 | 142.4 | 0 | 0 | 113.5 | N270 R271 | E268-N270 PolarHBondContact O-N 2.92Å; E268-R271 WeakPolarHBondContact O-CB 3.42Å; E268-R271 PolarHBondContact O-N 3.28Å |
| 269 | T | 56.9 | Low | 58.3 | Low | 116 Ų | 116 | 88.8 Ų | 88.8 | 71% | 0.712 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.5 | -29.7 | 175.4 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | P267 | P267-T269 PolarHBondContact O-N 3.17Å; P267-T269 VanDerWaalsContact O-N 3.16Å |
| 270 | N | 57.4 | Low | 57.8 | Low | 83 Ų | 83 | 93 Ų | 93 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -84.8 | -16.3 | 176.1 | -71.8 | -12.3 | 0 | 0 | 0 | 112.9 | L266 P267 E268 | L266-N270 HydrophobicContact CD2-CB 4.5Å; P267-N270 WeakPolarHBondContact O-CB 3.11Å; P267-N270 PolarHBondContact O-N 2.88Å; E268-N270 PolarHBondContact O-N 2.92Å |
| 271 | R | 57.2 | Low | 57.8 | Low | 140 Ų | 140 | 95.9 Ų | 95.9 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.7 | -26.5 | 177.1 | -58.3 | -178.9 | -171.2 | -178.4 | -2.6 | 111.9 | H263 L264 L266 P267 E268 R273 | H263-R271 PolarHBondContact O-NH2 2.93Å; L264-R271 PolarHBondContact O-NH2 2.68Å; L266-R271 HydrophobicContact CB-CG 4.49Å; L266-R271 PolarHBondContact O-NE 3.35Å; L266-R271 PolarHBondContact O-NH2 2.88Å; P267-R271 PolarHBondContact O-N 3.24Å; E268-R271 WeakPolarHBondContact O-CB 3.42Å; E268-R271 PolarHBondContact O-N 3.28Å; R271-R273 PolarHBondContact O-N 3.38Å |
| 272 | Q | 55.5 | Low | 58.2 | Low | 165 Ų | 165 | 95.7 Ų | 95.7 | 77% | 0.771 | 50% | 0.499 | S | S | * | . | trans | -81.2 | 34.8 | -179.2 | -61 | -173.9 | -3 | 0 | 0 | 114.2 | Q274 | Q272-Q274 PolarHBondContact O-N 3.09Å; Q272-Q274 VanDerWaalsContact O-N 3.16Å | ||
| 273 | R | 55.6 | Low | 58.7 | Low | 147 Ų | 147 | 96.4 Ų | 96.4 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | trans | -66.5 | 113.6 | 175 | -80.6 | -179.3 | 176.1 | -167.6 | 5.1 | 110 | R271 P282 | R271-R273 PolarHBondContact O-N 3.38Å; R273-P282 PolarHBondContact NH1-O 3.42Å | ||
| 274 | Q | 48.7 | Very low | 59.4 | Low | 181 Ų | 181 | 95 Ų | 95 | 85% | 0.846 | 50% | 0.497 | S | S | * | . | trans | -65 | 137.4 | 174.7 | -66.3 | -175.8 | -2.2 | 0 | 0 | 110.8 | Q272 S276 | Q272-Q274 PolarHBondContact O-N 3.09Å; Q272-Q274 VanDerWaalsContact O-N 3.16Å; Q274-S276 VanDerWaalsContact C-N 3.35Å; Q274-S276 PolarHBondContact O-N 3.27Å | ||
| 275 | A | 48.8 | Very low | 59.9 | Low | 93 Ų | 93 | 92.2 Ų | 92.2 | 77% | 0.769 | 48% | 0.483 | S | S | * | . | trans | -74.5 | 82.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P277 | A275-P277 WeakPolarHBondContact O-CD 3.34Š| ||
| 276 | S | 41.9 | Very low | 60.7 | Low | 76 Ų | 76 | 90 Ų | 90 | 53% | 0.531 | 47% | 0.472 | S | S | . | . | trans | -59 | 122.1 | 169.6 | -65.2 | 0 | 0 | 0 | 0 | 110.4 | Q274 S278 | Q274-S276 VanDerWaalsContact C-N 3.35Å; Q274-S276 PolarHBondContact O-N 3.27Å; S276-S278 PolarHBondContact O-N 2.68Å | ||
| 277 | P | 50.2 | Low | 61.5 | Low | 140 Ų | 140 | 89.5 Ų | 89.5 | 91% | 0.909 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -73.9 | -10 | -177.7 | 29.3 | -35.2 | 0 | 0 | 0 | 113.7 | A275 | A275-P277 WeakPolarHBondContact O-CD 3.34Š|
| 278 | S | 49.8 | Very low | 62.4 | Low | 95 Ų | 95 | 87.9 Ų | 87.9 | 66% | 0.664 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -107.7 | 110.1 | 174.7 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | S276 | S276-S278 PolarHBondContact O-N 2.68Š|
| 279 | R | 57.5 | Low | 63.4 | Low | 135 Ų | 135 | 84.9 Ų | 84.9 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | trans | 59 | 102.4 | -180 | -169.7 | 177.1 | -72.5 | -152.4 | -6.4 | 114.3 | D148 | D148-R279 IonicContact OD1-CZ 2.79Å; D148-R279 IonicContact OD1-NH1 3Å; D148-R279 PolarHBondContact OD1-NH1 2.8Å; D148-R279 IonicContact OD1-NH2 2.67Å; D148-R279 IonicContact OD2-CZ 3.94Å; D148-R279 IonicContact OD2-NH1 3.79Å; D148-R279 PolarHBondContact OD2-NH1 3.44Å; D148-R279 IonicContact OD2-NH2 3.85Å; D148-R279 PolarHBondContact OD2-NH2 2.87Å | ||
| 280 | R | 67.2 | Low | 64.1 | Low | 90 Ų | 90 | 79.7 Ų | 79.7 | 34% | 0.34 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 132.8 | 166.3 | -71.2 | -178.5 | 167 | -151.9 | -16 | 108.8 | F152 R153 | F152-R280 PolarHBondContact O-NH1 3.2Å; R153-R280 PolarHBondContact O-NH1 2.88Å |
| 281 | L | 71 | Confident | 64.8 | Low | 115 Ų | 115 | 78.1 Ų | 78.1 | 60% | 0.602 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -93.9 | 149.2 | 174.7 | -68.8 | 176.5 | 0 | 0 | 0 | 110.4 | N158 V283 | N158-L281 PolarHBondContact ND2-O 2.78Å; N158-L281 PolarHBondContact OD1-O 3.02Å; L281-V283 PolarHBondContact O-N 3.48Å |
| 282 | P | 77 | Confident | 65.7 | Low | 38 Ų | 38 | 79.3 Ų | 79.3 | 25% | 0.247 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -48.3 | 128.1 | 173.2 | -24.7 | 30.4 | 0 | 0 | 0 | 111.9 | V159 I161 D162 R273 | V159-P282 HydrophobicContact CG2-CB 4.04Å; V159-P282 HydrophobicContact CG2-CG 3.96Å; I161-P282 HydrophobicContact CD1-CB 4.02Å; I161-P282 HydrophobicContact CD1-CG 3.7Å; I161-P282 HydrophobicContact CG1-CB 4.08Å; I161-P282 HydrophobicContact CG1-CG 3.99Å; D162-P282 WeakPolarHBondContact OD2-CA 3.45Å; R273-P282 PolarHBondContact NH1-O 3.42Å |
| 283 | V | 76.2 | Confident | 66.3 | Low | 18 Ų | 18 | 76.4 Ų | 76.4 | 11% | 0.109 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -68.8 | -46.8 | 178.4 | -170.3 | 0 | 0 | 0 | 0 | 109.7 | E155 N158 D162 H263 L281 | E155-V283 VanDerWaalsContact O-CG2 3.32Å; E155-V283 WeakPolarHBondContact O-CG2 3.44Å; N158-V283 HydrophobicContact CB-CG2 4.29Å; N158-V283 WeakPolarHBondContact ND2-CG2 3.33Å; D162-V283 VanDerWaalsContact CG-N 3.33Å; D162-V283 PolarHBondContact OD1-N 2.92Å; D162-V283 PolarHBondContact OD2-N 2.9Å; H263-V283 VanDerWaalsContact NE2-CG1 3.3Å; H263-V283 WeakPolarHBondContact NE2-CG1 3.4Å; L281-V283 PolarHBondContact O-N 3.48Å |
| 284 | R | 77.6 | Confident | 66.9 | Low | 5 Ų | 5 | 73.3 Ų | 73.3 | 2% | 0.019 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -90.5 | -39.3 | -174.8 | -50.3 | 169.4 | 69.5 | 167.2 | 7.3 | 111 | D162 D164 D257 H262 V290 | D162-R284 HydrophobicContact CB-CG 4.36Å; D162-R284 WeakPolarHBondContact O-CD 3.4Å; D162-R284 PolarHBondContact O-NH1 3.22Å; D162-R284 WeakPolarHBondContact OD1-CB 3.16Å; D162-R284 PolarHBondContact OD1-N 2.83Å; D164-R284 IonicContact OD1-CZ 2.63Å; D164-R284 IonicContact OD1-NH1 3.1Å; D164-R284 PolarHBondContact OD1-NH1 2.75Å; D164-R284 IonicContact OD1-NH2 3.61Å; D257-R284 PolarHBondContact O-NH2 2.7Å; D257-R284 IonicContact OD1-CZ 3.99Å; D257-R284 IonicContact OD1-NE 3.49Å; D257-R284 IonicContact OD1-NH2 2.89Å; D257-R284 PolarHBondContact OD1-NH2 2.93Å; H262-R284 HydrophobicContact CB-CG 4.49Å; R284-V290 HydrophobicContact CB-CG2 4.49Å; R284-V290 WeakPolarHBondContact O-CG2 3.19Å |
| 285 | G | 72.7 | Confident | 67.5 | Low | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | trans | 89.8 | -177.6 | -165.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H255 E289 | H255-G285 PolarHBondContact CE1-O 3.14Å; H255-G285 VanDerWaalsContact CE1-O 3.26Å; G285-E289 VanDerWaalsContact CA-OE2 3.25Å; G285-E289 WeakPolarHBondContact CA-OE2 3.49Å | ||
| 286 | S | 77.4 | Confident | 67.9 | Low | 15 Ų | 15 | 64.9 Ų | 64.9 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | trans | -74.3 | 159.9 | 175.9 | 97.7 | 0 | 0 | 0 | 0 | 111.9 | D214 S288 E289 V290 | D214-S286 WeakPolarHBondContact OD2-CB 3.18Å; D214-S286 PolarHBondContact OD2-OG 2.95Å; S286-S288 PolarHBondContact O-N 2.87Å; S286-S288 PolarHBondContact OG-N 3.11Å; S286-E289 WeakPolarHBondContact O-CB 3.39Å; S286-E289 PolarHBondContact O-N 2.89Å; S286-E289 PolarHBondContact OG-N 3.26Å; S286-V290 WeakPolarHBondContact O-CG2 3.37Å; S286-V290 PolarHBondContact O-N 3.41Å | ||
| 287 | P | 77.7 | Confident | 68.5 | Low | 11 Ų | 11 | 69.4 Ų | 69.4 | 7% | 0.071 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -53.9 | -34.9 | 176 | -28.8 | 35.6 | 0 | 0 | 0 | 114.9 | D214 M253 E291 | D214-P287 HydrophobicContact CB-CB 4.42Å; D214-P287 HydrophobicContact CB-CG 4.14Å; M253-P287 HydrophobicContact CE-CG 3.8Å; M253-P287 HydrophobicContact CG-CG 3.75Å; M253-P287 WeakPolarHBondContact SD-CD 3.5Å; M253-P287 HydrophobicContact SD-CG 3.7Å; P287-E291 WeakPolarHBondContact O-CB 3.41Å; P287-E291 PolarHBondContact O-N 3.19Å |
| 288 | S | 77.4 | Confident | 68.6 | Low | 32 Ų | 32 | 70 Ų | 70 | 22% | 0.224 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.6 | -46 | 171.8 | -70 | 0 | 0 | 0 | 0 | 112 | H213 D214 S286 V290 E291 E292 | H213-S288 WeakPolarHBondContact CE1-CB 3.25Å; H213-S288 PolarHBondContact CE1-OG 2.68Å; D214-S288 WeakPolarHBondContact OD1-CB 3.29Å; D214-S288 PolarHBondContact OD1-N 3Å; D214-S288 PolarHBondContact OD1-OG 2.8Å; S286-S288 PolarHBondContact O-N 2.87Å; S286-S288 PolarHBondContact OG-N 3.11Å; S288-V290 VanDerWaalsContact C-N 3.27Å; S288-V290 PolarHBondContact O-N 3.37Å; S288-E291 PolarHBondContact O-N 3.27Å; S288-E292 PolarHBondContact O-N 3.14Å |
| 289 | E | 77.8 | Confident | 68.7 | Low | 86 Ų | 86 | 68.9 Ų | 68.9 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.8 | -35 | 176.1 | -58.7 | -172.8 | 174.6 | 0 | 0 | 112.6 | G285 S286 K293 | G285-E289 VanDerWaalsContact CA-OE2 3.25Å; G285-E289 WeakPolarHBondContact CA-OE2 3.49Å; S286-E289 WeakPolarHBondContact O-CB 3.39Å; S286-E289 PolarHBondContact O-N 2.89Å; S286-E289 PolarHBondContact OG-N 3.26Å; E289-K293 WeakPolarHBondContact O-CD 3.42Å; E289-K293 VanDerWaalsContact O-CE 3.31Å; E289-K293 WeakPolarHBondContact O-CE 3.34Å; E289-K293 WeakPolarHBondContact O-CG 3.41Å; E289-K293 PolarHBondContact O-N 2.6Å; E289-K293 IonicContact OE2-NZ 3.8Å; E289-K293 PolarHBondContact OE2-NZ 3.28Å |
| 290 | V | 72.6 | Confident | 68.3 | Low | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | R284 S286 S288 K293 F294 | R284-V290 HydrophobicContact CB-CG2 4.49Å; R284-V290 WeakPolarHBondContact O-CG2 3.19Å; S286-V290 WeakPolarHBondContact O-CG2 3.37Å; S286-V290 PolarHBondContact O-N 3.41Å; S288-V290 VanDerWaalsContact C-N 3.27Å; S288-V290 PolarHBondContact O-N 3.37Å; V290-K293 PolarHBondContact O-N 2.92Å; V290-F294 WeakPolarHBondContact O-CA 3.32Å; V290-F294 WeakPolarHBondContact O-CB 3.49Å; V290-F294 PolarHBondContact O-N 2.87Å |
| 291 | E | 71.4 | Confident | 67.3 | Low | 49 Ų | 49 | 73.6 Ų | 73.6 | 23% | 0.229 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 176.9 | -176.6 | 65.5 | -178.6 | 0 | 0 | 112.8 | R256 P287 S288 K293 F294 P295 A296 | R256-E291 WeakPolarHBondContact CD-OE2 3.37Å; R256-E291 VanDerWaalsContact CZ-CD 3.48Å; R256-E291 IonicContact CZ-OE1 3.39Å; R256-E291 IonicContact CZ-OE2 3.08Å; R256-E291 VanDerWaalsContact CZ-OE2 3.25Å; R256-E291 IonicContact NE-OE2 2.8Å; R256-E291 PolarHBondContact NE-OE2 2.84Å; R256-E291 IonicContact NH1-OE1 2.61Å; R256-E291 PolarHBondContact NH1-OE1 2.53Å; R256-E291 VanDerWaalsContact NH1-OE1 3.08Å; R256-E291 IonicContact NH1-OE2 3.38Å; R256-E291 PolarHBondContact NH1-OE2 2.95Å; P287-E291 WeakPolarHBondContact O-CB 3.41Å; P287-E291 PolarHBondContact O-N 3.19Å; S288-E291 PolarHBondContact O-N 3.27Å; E291-K293 VanDerWaalsContact C-N 3.35Å; E291-F294 CarbonylContact O-C 3.57Å; E291-P295 WeakPolarHBondContact O-CA 3.3Å; E291-P295 WeakPolarHBondContact O-CB 3.4Å; E291-P295 VanDerWaalsContact O-CD 3.31Å; E291-P295 WeakPolarHBondContact O-CD 3.27Å; E291-A296 WeakPolarHBondContact OE1-CB 3.37Å; E291-A296 PolarHBondContact OE1-N 2.71Å; E291-A296 PolarHBondContact OE2-N 2.93Å |
| 292 | E | 75.5 | Confident | 66.5 | Low | 165 Ų | 165 | 71.9 Ų | 71.9 | 77% | 0.771 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.4 | -39 | 174 | -73.3 | -177.1 | 176.1 | 0 | 0 | 112 | S288 | S288-E292 PolarHBondContact O-N 3.14Å |
| 293 | K | 69.4 | Low | 65.7 | Low | 105 Ų | 105 | 74 Ų | 74 | 46% | 0.457 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -76.3 | -38.4 | 177.5 | -63.6 | 159.3 | -159 | 160.8 | 0 | 112 | E289 V290 E291 | E289-K293 WeakPolarHBondContact O-CD 3.42Å; E289-K293 VanDerWaalsContact O-CE 3.31Å; E289-K293 WeakPolarHBondContact O-CE 3.34Å; E289-K293 WeakPolarHBondContact O-CG 3.41Å; E289-K293 PolarHBondContact O-N 2.6Å; E289-K293 IonicContact OE2-NZ 3.8Å; E289-K293 PolarHBondContact OE2-NZ 3.28Å; V290-K293 PolarHBondContact O-N 2.92Å; E291-K293 VanDerWaalsContact C-N 3.35Å |
| 294 | F | 67.1 | Low | 65.2 | Low | 82 Ų | 82 | 77.6 Ų | 77.6 | 36% | 0.36 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -134.7 | 62.8 | -170 | -57.2 | -78.6 | 0 | 0 | 0 | 112.6 | V290 E291 | V290-F294 WeakPolarHBondContact O-CA 3.32Å; V290-F294 WeakPolarHBondContact O-CB 3.49Å; V290-F294 PolarHBondContact O-N 2.87Å; E291-F294 CarbonylContact O-C 3.57Å |
| 295 | P | 61.5 | Low | 65 | Low | 53 Ų | 53 | 81.3 Ų | 81.3 | 34% | 0.344 | 42% | 0.424 | S | S | . | . | trans | -60.5 | 140 | -171.6 | 22.1 | -34.1 | 0 | 0 | 0 | 113.1 | E291 N297 K298 | E291-P295 WeakPolarHBondContact O-CA 3.3Å; E291-P295 WeakPolarHBondContact O-CB 3.4Å; E291-P295 VanDerWaalsContact O-CD 3.31Å; E291-P295 WeakPolarHBondContact O-CD 3.27Å; P295-N297 PolarHBondContact O-N 2.87Å; P295-K298 WeakPolarHBondContact O-CB 3.32Å; P295-K298 PolarHBondContact O-N 3.43Å | ||
| 296 | A | 58 | Low | 65.5 | Low | 44 Ų | 44 | 81.8 Ų | 81.8 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -56.1 | -21.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | E291 K298 S299 | E291-A296 WeakPolarHBondContact OE1-CB 3.37Å; E291-A296 PolarHBondContact OE1-N 2.71Å; E291-A296 PolarHBondContact OE2-N 2.93Å; A296-K298 PolarHBondContact O-N 3.04Å; A296-K298 VanDerWaalsContact O-N 3.16Å; A296-S299 WeakPolarHBondContact O-CB 3.44Å; A296-S299 PolarHBondContact O-N 2.94Å; A296-S299 PolarHBondContact O-OG 3.22Å |
| 297 | N | 53.3 | Low | 66.1 | Low | 170 Ų | 170 | 86.6 Ų | 86.6 | 91% | 0.909 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -65.6 | -9.7 | 172.8 | -73.2 | -16.7 | 0 | 0 | 0 | 113.9 | P295 S299 | P295-N297 PolarHBondContact O-N 2.87Å; N297-S299 VanDerWaalsContact C-N 3.34Å |
| 298 | K | 53.3 | Low | 66.9 | Low | 153 Ų | 153 | 86.9 Ų | 86.9 | 67% | 0.665 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -86.5 | 3.4 | 167.8 | -69.2 | -178.1 | 178.4 | 173.5 | 0 | 113.8 | P295 A296 I300 | P295-K298 WeakPolarHBondContact O-CB 3.32Å; P295-K298 PolarHBondContact O-N 3.43Å; A296-K298 PolarHBondContact O-N 3.04Å; A296-K298 VanDerWaalsContact O-N 3.16Å; K298-I300 PolarHBondContact O-N 3.43Å |
| 299 | S | 50.7 | Low | 67.8 | Low | 72 Ų | 72 | 88.3 Ų | 88.3 | 50% | 0.503 | 46% | 0.458 | S | S | . | . | trans | -56.3 | 128.5 | -176.3 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | A296 N297 K301 | A296-S299 WeakPolarHBondContact O-CB 3.44Å; A296-S299 PolarHBondContact O-N 2.94Å; A296-S299 PolarHBondContact O-OG 3.22Å; N297-S299 VanDerWaalsContact C-N 3.34Å; S299-K301 PolarHBondContact O-N 2.98Å; S299-K301 VanDerWaalsContact O-N 3.14Å | ||
| 300 | I | 50.6 | Low | 68.8 | Low | 108 Ų | 108 | 86.6 Ų | 86.6 | 55% | 0.554 | 45% | 0.451 | S | S | * | . | trans | -70.6 | 109 | 173.3 | -60.6 | 172.1 | 0 | 0 | 0 | 107.3 | K298 G302 R303 | K298-I300 PolarHBondContact O-N 3.43Å; I300-G302 PolarHBondContact O-N 3.37Å; I300-R303 HydrophobicContact CB-CG 4.42Å; I300-R303 PolarHBondContact O-N 2.59Å | ||
| 301 | K | 46.2 | Very low | 70 | Confident | 216 Ų | 216 | 90.9 Ų | 90.9 | 94% | 0.939 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | 114 | 179.3 | -77.6 | -173.8 | 175 | -179.1 | 0 | 110.9 | S299 | S299-K301 PolarHBondContact O-N 2.98Å; S299-K301 VanDerWaalsContact O-N 3.14Å |
| 302 | G | 54.1 | Low | 71.2 | Confident | 78 Ų | 78 | 93 Ų | 93 | 80% | 0.804 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.4 | -4.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I300 | I300-G302 PolarHBondContact O-N 3.37Š|
| 303 | R | 59 | Low | 72.3 | Confident | 82 Ų | 82 | 86 Ų | 86 | 31% | 0.309 | 45% | 0.449 | S | S | . | . | trans | -63.1 | 146.8 | 162 | -93.1 | -171.5 | 159 | 160.2 | -7.6 | 110.1 | D261 N265 I300 | D261-R303 IonicContact OD1-CZ 2.65Å; D261-R303 IonicContact OD1-NE 3.04Å; D261-R303 PolarHBondContact OD1-NE 2.83Å; D261-R303 IonicContact OD1-NH2 2.75Å; D261-R303 PolarHBondContact OD1-NH2 3.06Å; N265-R303 PolarHBondContact OD1-NH1 2.87Å; N265-R303 PolarHBondContact OD1-NH2 2.85Å; I300-R303 HydrophobicContact CB-CG 4.42Å; I300-R303 PolarHBondContact O-N 2.59Å | ||
| 304 | Q | 65.8 | Low | 73.7 | Confident | 94 Ų | 94 | 82.8 Ų | 82.8 | 44% | 0.439 | 44% | 0.438 | S | S | . | . | trans | -104.6 | 137.9 | 175.5 | -80.3 | 175.7 | -16.6 | 0 | 0 | 108.2 | M1 | M1-Q304 HydrophobicContact CE-CB 3.79Å; M1-Q304 HydrophobicContact CE-CG 4.18Å; M1-Q304 HydrophobicContact CG-CG 4.3Å; M1-Q304 HydrophobicContact SD-CB 3.7Å; M1-Q304 VanDerWaalsContact SD-CD 3.58Å; M1-Q304 HydrophobicContact SD-CG 3.91Å; M1-Q304 PolarHBondContact SD-OE1 3.22Å; M1-Q304 VanDerWaalsContact SD-OE1 3.41Å | ||
| 305 | H | 74.4 | Confident | 75.2 | Confident | 83 Ų | 83 | 79.1 Ų | 79.1 | 38% | 0.384 | 42% | 0.422 | S | S | . | . | trans | -117.7 | 153.6 | -169.9 | -64 | -83.9 | 0 | 0 | 0 | 111 | M1 R256 S334 | M1-H305 WeakPolarHBondContact CE-O 3.5Å; R256-H305 PolarHBondContact O-ND1 3.01Å; H305-S334 PolarHBondContact O-OG 3.26Å | ||
| 306 | P | 83.1 | Confident | 76.9 | Confident | 13 Ų | 13 | 77 Ų | 77 | 8% | 0.084 | 41% | 0.408 | C | S | . | . | trans | -59.6 | 143.7 | 169.6 | -13 | 25.8 | 0 | 0 | 0 | 110.5 | Y165 V254 H255 R256 D257 F258 S334 | Y165-P306 HydrophobicContact CE1-CB 4.33Å; Y165-P306 HydrophobicContact CE2-CB 4.46Å; V254-P306 HydrophobicContact CG1-CB 3.86Å; H255-P306 WeakPolarHBondContact O-CB 3.32Å; H255-P306 VanDerWaalsContact O-CG 3.3Å; H255-P306 WeakPolarHBondContact O-CG 3.4Å; R256-P306 WeakPolarHBondContact O-CD 3.45Å; D257-P306 VanDerWaalsContact C-CG 3.42Å; D257-P306 WeakPolarHBondContact O-CG 3.48Å; F258-P306 HydrophobicContact CD1-CB 4.38Å; F258-P306 HydrophobicContact CD1-CG 3.8Å; F258-P306 HydrophobicContact CD2-CG 4.32Å; F258-P306 HydrophobicContact CE1-CB 3.84Å; F258-P306 HydrophobicContact CE1-CG 3.7Å; F258-P306 HydrophobicContact CE2-CG 4.25Å; F258-P306 HydrophobicContact CG-CG 4.1Å; F258-P306 HydrophobicContact CZ-CB 4.1Å; F258-P306 HydrophobicContact CZ-CG 3.95Å; P306-S334 WeakPolarHBondContact CA-OG 3.27Å | ||
| 307 | E | 89.5 | Confident | 78.7 | Confident | 116 Ų | 116 | 78.2 Ų | 78.2 | 54% | 0.542 | 41% | 0.408 | S | S | . | . | trans | -150.5 | 131.4 | -179.2 | -177.3 | -176.8 | -164.3 | 0 | 0 | 108.7 | Y165 V309 L333 S334 | Y165-E307 PolarHBondContact OH-N 2.9Å; Y165-E307 VanDerWaalsContact OH-N 3.1Å; Y165-E307 PolarHBondContact OH-O 2.91Å; E307-V309 HydrophobicContact CG-CG2 4.17Å; E307-L333 CarbonylContact O-C 3.51Å; E307-L333 VanDerWaalsContact O-CA 3.31Å; E307-L333 WeakPolarHBondContact O-CA 2.98Å; E307-S334 PolarHBondContact N-OG 2.98Å; E307-S334 PolarHBondContact O-N 2.93Å | ||
| 308 | A | 94.2 | Very high | 80.7 | Confident | 17 Ų | 17 | 74.8 Ų | 74.8 | 14% | 0.14 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 105.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y165 Y252 V254 F331 L333 | Y165-A308 HydrophobicContact CD1-CB 4.29Å; Y165-A308 HydrophobicContact CE1-CB 4.1Å; Y252-A308 HydrophobicContact CD2-CB 4.17Å; Y252-A308 HydrophobicContact CE2-CB 4.12Å; V254-A308 HydrophobicContact CG2-CB 3.57Å; A308-F331 HydrophobicContact CB-CD1 4.43Å; A308-L333 HydrophobicContact CB-CD2 3.4Å; A308-L333 VanDerWaalsContact CB-CD2 3.4Å |
| 309 | V | 96.7 | Very high | 82.7 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 38% | 0.376 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 109.5 | 171.7 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | E307 L311 F331 K332 | E307-V309 HydrophobicContact CG-CG2 4.17Å; V309-L311 HydrophobicContact CG1-CD2 4.09Å; V309-L311 PolarHBondContact O-N 2.88Å; V309-F331 CarbonylContact O-C 3.57Å; V309-F331 WeakPolarHBondContact O-CA 3.41Å; V309-K332 HydrophobicContact CB-CB 4.4Å; V309-K332 PolarHBondContact N-O 2.88Å; V309-K332 PolarHBondContact O-N 3.05Å |
| 310 | L | 97.9 | Very high | 84.9 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 116 | 171.8 | -179.5 | 72.1 | 0 | 0 | 0 | 109.5 | K312 A329 F331 | L310-K312 WeakPolarHBondContact CD1-O 3.05Å; L310-A329 HydrophobicContact CD1-CB 4.28Å; L310-F331 HydrophobicContact CB-CD1 4.3Å; L310-F331 HydrophobicContact CB-CE1 4.32Å; L310-F331 HydrophobicContact CD1-CD1 3.87Å; L310-F331 HydrophobicContact CD1-CE1 3.46Å; L310-F331 VanDerWaalsContact CD1-CE1 3.46Å; L310-F331 HydrophobicContact CD1-CE2 4.48Å; L310-F331 HydrophobicContact CD1-CZ 3.81Å; L310-F331 HydrophobicContact CG-CE1 4.47Å |
| 311 | L | 97.4 | Very high | 87 | Confident | 97 Ų | 97 | 64.1 Ų | 64.1 | 51% | 0.508 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -29.7 | -179.9 | -55.5 | -176.1 | 0 | 0 | 0 | 112.9 | V309 V330 K332 | V309-L311 HydrophobicContact CG1-CD2 4.09Å; V309-L311 PolarHBondContact O-N 2.88Å; L311-V330 HydrophobicContact CB-CB 4.42Å; L311-V330 HydrophobicContact CB-CG1 4.47Å; L311-V330 WeakPolarHBondContact CB-O 3.33Å; L311-V330 HydrophobicContact CD1-CG1 4.29Å; L311-V330 PolarHBondContact N-O 3.09Å; L311-K332 HydrophobicContact CD1-CB 4.14Å; L311-K332 HydrophobicContact CD2-CB 4.18Å; L311-K332 HydrophobicContact CG-CB 4.26Å |
| 312 | K | 97.7 | Very high | 89.4 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 139.4 | -175.9 | -170.9 | 179.3 | -177.7 | -174.9 | 0 | 110 | L310 T314 I328 A329 V330 | L310-K312 WeakPolarHBondContact CD1-O 3.05Å; K312-T314 HydrophobicContact CD-CG2 4.42Å; K312-T314 HydrophobicContact CG-CG2 4.28Å; K312-I328 HydrophobicContact CD-CD1 4.11Å; K312-A329 CarbonylContact O-C 3.52Å; K312-A329 VanDerWaalsContact O-CA 3.26Å; K312-A329 WeakPolarHBondContact O-CA 3.07Å; K312-V330 HydrophobicContact CB-CB 4.06Å; K312-V330 HydrophobicContact CB-CG2 4.07Å; K312-V330 HydrophobicContact CD-CG2 4.39Å; K312-V330 PolarHBondContact N-O 2.86Å; K312-V330 PolarHBondContact O-N 2.9Å |
| 313 | Y | 98.5 | Very high | 91.5 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 120.6 | 164.6 | -174.9 | -138.7 | 0 | 0 | 0 | 108.6 | E217 G218 I220 F222 I250 V327 I328 A329 | E217-Y313 HydrophobicContact CG-CE1 3.7Å; E217-Y313 PolarHBondContact OE1-OH 3.08Å; G218-Y313 WeakPolarHBondContact O-CD1 3.29Å; G218-Y313 WeakPolarHBondContact O-CE1 3.11Å; I220-Y313 HydrophobicContact CG1-CD1 4.47Å; I220-Y313 HydrophobicContact CG1-CE1 3.79Å; F222-Y313 AromaticContact CE1-CD1 3.86Å; F222-Y313 HydrophobicContact CE1-CD1 3.86Å; F222-Y313 AromaticContact CE1-CE1 3.97Å; F222-Y313 HydrophobicContact CE1-CE1 3.97Å; F222-Y313 HydrophobicContact CE1-CG 4.21Å; F222-Y313 HydrophobicContact CZ-CD1 4.35Å; F222-Y313 HydrophobicContact CZ-CE1 4.02Å; F222-Y313 HydrophobicContact CZ-CE2 4.39Å; I250-Y313 HydrophobicContact CB-CE2 3.87Å; I250-Y313 HydrophobicContact CG1-CE2 4.39Å; I250-Y313 PolarHBondContact N-OH 3.13Å; Y313-V327 HydrophobicContact CD2-CG1 4.06Å; Y313-V327 HydrophobicContact CE2-CG1 3.43Å; Y313-V327 VanDerWaalsContact CE2-CG1 3.43Å; Y313-I328 WeakPolarHBondContact CA-O 3.09Å; Y313-I328 WeakPolarHBondContact CD2-O 3.31Å; Y313-A329 HydrophobicContact CD2-CB 3.89Å; Y313-A329 HydrophobicContact CE2-CB 4.48Å |
| 314 | T | 98.4 | Very high | 93.4 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 155.8 | -175.9 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | K312 L316 V327 I328 | K312-T314 HydrophobicContact CD-CG2 4.42Å; K312-T314 HydrophobicContact CG-CG2 4.28Å; T314-L316 HydrophobicContact CG2-CD2 4.25Å; T314-V327 WeakPolarHBondContact O-CA 3.33Å; T314-I328 HydrophobicContact CG2-CD1 4.22Å; T314-I328 HydrophobicContact CG2-CG1 3.84Å; T314-I328 PolarHBondContact N-O 3.3Å; T314-I328 PolarHBondContact O-N 2.94Å |
| 315 | S | 98.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 159.2 | 156.1 | 68.3 | 0 | 0 | 0 | 0 | 111.5 | N317 P326 | S315-N317 PolarHBondContact OG-OD1 2.95Å; S315-P326 CarbonylContact C-O 3.59Å; S315-P326 WeakPolarHBondContact CA-O 3.25Å |
| 316 | L | 97.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | trans | -112.8 | 108.9 | 171.1 | -61.6 | -179.7 | 0 | 0 | 0 | 108.7 | L26 T314 E318 Y319 P326 I328 | L26-L316 HydrophobicContact CB-CD1 4.37Å; L26-L316 HydrophobicContact CD1-CD1 4.15Å; T314-L316 HydrophobicContact CG2-CD2 4.25Å; L316-E318 VanDerWaalsContact C-OE2 3.29Å; L316-E318 WeakPolarHBondContact CA-OE2 3.09Å; L316-E318 WeakPolarHBondContact CB-OE2 3.25Å; L316-Y319 HydrophobicContact CB-CD2 3.74Å; L316-Y319 HydrophobicContact CB-CE2 4.01Å; L316-Y319 HydrophobicContact CD1-CD2 4.29Å; L316-Y319 HydrophobicContact CD1-CE2 3.83Å; L316-P326 HydrophobicContact CB-CB 4.48Å; L316-P326 HydrophobicContact CB-CG 4.49Å; L316-P326 PolarHBondContact N-O 2.84Å; L316-I328 HydrophobicContact CD1-CD1 4.14Å; L316-I328 HydrophobicContact CD1-CG1 4.27Å; L316-I328 HydrophobicContact CD1-CG2 3.82Å; L316-I328 HydrophobicContact CD2-CD1 3.93Å; L316-I328 HydrophobicContact CD2-CG1 4.19Å; L316-I328 HydrophobicContact CG-CD1 4.29Å; L316-I328 HydrophobicContact CG-CG1 4.17Å; L316-I328 HydrophobicContact CG-CG2 4.42Å | ||
| 317 | N | 95.3 | Very high | 96.8 | Very high | 69 Ų | 69 | 38.7 Ų | 38.7 | 37% | 0.369 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -88 | -7 | -171.2 | -67.5 | 1 | 0 | 0 | 0 | 112.9 | S315 K320 | S315-N317 PolarHBondContact OG-OD1 2.95Å; N317-K320 WeakPolarHBondContact O-CE 2.53Å |
| 318 | E | 94.8 | Very high | 97.3 | Very high | 98 Ų | 98 | 33.2 Ų | 33.2 | 46% | 0.458 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -73.2 | -28.3 | 177.2 | 60.5 | -92.3 | -135 | 0 | 0 | 113.5 | S25 L316 | S25-E318 WeakPolarHBondContact CB-OE1 3.48Å; S25-E318 PolarHBondContact OG-OE1 2.78Å; L316-E318 VanDerWaalsContact C-OE2 3.29Å; L316-E318 WeakPolarHBondContact CA-OE2 3.09Å; L316-E318 WeakPolarHBondContact CB-OE2 3.25Å |
| 319 | Y | 96.7 | Very high | 97.5 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | trans | -85.8 | 123.1 | 176.9 | -57.6 | -79.9 | 0 | 0 | 0 | 110.3 | W11 E21 D22 L23 L26 L316 R325 P326 | W11-Y319 HydrophobicContact CH2-CD1 4.39Å; W11-Y319 HydrophobicContact CH2-CG 4.5Å; E21-Y319 HydrophobicContact CB-CD1 4.25Å; E21-Y319 HydrophobicContact CB-CE1 4.3Å; D22-Y319 VanDerWaalsContact O-CE1 3.23Å; D22-Y319 WeakPolarHBondContact O-CE1 3.43Å; D22-Y319 PolarHBondContact O-OH 2.7Å; L23-Y319 HydrophobicContact CD2-CE1 4.07Å; L26-Y319 HydrophobicContact CB-CE1 4.44Å; L26-Y319 HydrophobicContact CB-CE2 3.94Å; L26-Y319 HydrophobicContact CD1-CE2 4.49Å; L26-Y319 PolarHBondContact N-OH 2.82Å; L316-Y319 HydrophobicContact CB-CD2 3.74Å; L316-Y319 HydrophobicContact CB-CE2 4.01Å; L316-Y319 HydrophobicContact CD1-CD2 4.29Å; L316-Y319 HydrophobicContact CD1-CE2 3.83Å; Y319-R325 WeakPolarHBondContact O-CD 3.31Å; Y319-R325 PolarHBondContact O-NE 2.55Å; Y319-P326 HydrophobicContact CD2-CG 3.82Å; Y319-P326 HydrophobicContact CG-CG 3.97Å | ||
| 320 | K | 96.3 | Very high | 97.6 | Very high | 60 Ų | 60 | 30.3 Ų | 30.3 | 26% | 0.261 | 15% | 0.153 | S | C | . | . | trans | -136.5 | 3.5 | -170.1 | -55 | -170.2 | -173.3 | -177 | 0 | 114.9 | E21 G231 D233 N317 | E21-K320 PolarHBondContact OE1-N 3.14Å; G231-K320 WeakPolarHBondContact CA-O 3.23Å; G231-K320 PolarHBondContact N-O 2.8Å; D233-K320 WeakPolarHBondContact OD1-CE 3.38Å; D233-K320 IonicContact OD1-NZ 3.94Å; D233-K320 PolarHBondContact OD1-NZ 3.37Å; D233-K320 IonicContact OD2-NZ 3Å; D233-K320 PolarHBondContact OD2-NZ 3.12Å; N317-K320 WeakPolarHBondContact O-CE 2.53Å | ||
| 321 | T | 95.3 | Very high | 97.6 | Very high | 42 Ų | 42 | 28 Ų | 28 | 26% | 0.258 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -59.5 | -45.5 | 175.9 | 36.6 | 0 | 0 | 0 | 0 | 112.1 | W11 E21 K230 | W11-T321 WeakPolarHBondContact CH2-OG1 3.46Å; W11-T321 WeakPolarHBondContact CZ2-OG1 2.99Å; E21-T321 HydrophobicContact CG-CG2 4.49Å; E21-T321 PolarHBondContact OE1-OG1 2.94Å; E21-T321 WeakPolarHBondContact OE2-CG2 2.48Å; E21-T321 PolarHBondContact OE2-OG1 3.1Å; K230-T321 WeakPolarHBondContact CD-O 3.45Å; K230-T321 WeakPolarHBondContact CG-O 3.45Å |
| 322 | S | 96.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -82 | 158.3 | 173.5 | 179.9 | 0 | 0 | 0 | 0 | 113.3 | N12 H324 | N12-S322 WeakPolarHBondContact O-CB 3.47Å; N12-S322 PolarHBondContact O-OG 3.19Å; S322-H324 WeakPolarHBondContact CB-O 3.5Å; S322-H324 PolarHBondContact O-N 3.46Å; S322-H324 PolarHBondContact OG-N 2.72Å |
| 323 | D | 97.7 | Very high | 97.4 | Very high | 25 Ų | 25 | 23.5 Ų | 23.5 | 13% | 0.134 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -77.5 | -1.3 | 165.2 | 54.6 | -47.1 | 0 | 0 | 0 | 113.6 | K227 F228 K230 | K227-D323 WeakPolarHBondContact CE-OD2 3.22Å; K227-D323 HydrophobicContact CG-CB 4Å; K227-D323 WeakPolarHBondContact CG-OD2 3.45Å; K227-D323 IonicContact NZ-OD2 2.7Å; F228-D323 PolarHBondContact N-O 2.92Å; F228-D323 WeakPolarHBondContact O-CB 3.48Å; K230-D323 WeakPolarHBondContact CE-OD1 3.48Å; K230-D323 HydrophobicContact CG-CB 4.09Å |
| 324 | H | 98.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -105.4 | 149.3 | 163 | -68.9 | -118.5 | 0 | 0 | 0 | 111.8 | W11 N12 D171 T225 F226 D248 S322 | W11-H324 PolarHBondContact NE1-O 3.28Å; N12-H324 HydrophobicContact CB-CB 4.17Å; N12-H324 PolarHBondContact ND2-NE2 3.07Å; N12-H324 WeakPolarHBondContact O-CB 3.39Å; D171-H324 IonicContact OD2-CE1 2.71Å; D171-H324 PolarHBondContact OD2-CE1 3.19Å; D171-H324 IonicContact OD2-NE2 3.77Å; T225-H324 CarbonylContact O-C 3.47Å; T225-H324 VanDerWaalsContact O-CA 3.3Å; T225-H324 WeakPolarHBondContact O-CA 3.37Å; F226-H324 AromaticContact CD2-CD2 3.61Å; F226-H324 AromaticContact CD2-CE1 3.45Å; F226-H324 VanDerWaalsContact CD2-CE1 3.45Å; F226-H324 WeakPolarHBondContact CD2-CE1 3.43Å; F226-H324 AromaticContact CD2-ND1 3.98Å; F226-H324 AromaticContact CD2-NE2 3.15Å; F226-H324 WeakPolarHBondContact CD2-NE2 3.01Å; F226-H324 AromaticContact CE2-NE2 3.52Å; F226-H324 AromaticContact CG-CE1 3.99Å; D248-H324 VanDerWaalsContact CG-ND1 3.35Å; D248-H324 IonicContact OD1-CG 3.14Å; D248-H324 IonicContact OD1-ND1 3.75Å; D248-H324 PolarHBondContact OD1-ND1 3.18Å; D248-H324 VanDerWaalsContact OD1-ND1 3.1Å; D248-H324 IonicContact OD2-CE1 2.74Å; D248-H324 IonicContact OD2-CG 3.26Å; D248-H324 IonicContact OD2-ND1 2.66Å; D248-H324 PolarHBondContact OD2-ND1 2.97Å; S322-H324 WeakPolarHBondContact CB-O 3.5Å; S322-H324 PolarHBondContact O-N 3.46Å; S322-H324 PolarHBondContact OG-N 2.72Å |
| 325 | R | 98.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | trans | -93.6 | 135.9 | 165.4 | -65.5 | -61.7 | -174.9 | -89.9 | -4.1 | 111 | T225 F228 T232 D233 Y319 | T225-R325 PolarHBondContact O-N 3.33Å; F228-R325 HydrophobicContact CD2-CG 4.02Å; F228-R325 HydrophobicContact CE2-CG 3.54Å; F228-R325 HydrophobicContact CZ-CG 4.15Å; T232-R325 PolarHBondContact O-NH2 3.18Å; D233-R325 IonicContact OD1-CZ 3.87Å; D233-R325 IonicContact OD1-NH2 3.64Å; D233-R325 PolarHBondContact OD1-NH2 2.91Å; Y319-R325 WeakPolarHBondContact O-CD 3.31Å; Y319-R325 PolarHBondContact O-NE 2.55Å | ||
| 326 | P | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -58.7 | 148 | 173.2 | -11.6 | 18.5 | 0 | 0 | 0 | 112 | T10 W11 L26 S315 L316 Y319 | T10-P326 WeakPolarHBondContact O-CA 3.48Å; W11-P326 HydrophobicContact CB-CB 4.03Å; W11-P326 HydrophobicContact CB-CG 4.4Å; W11-P326 HydrophobicContact CD2-CB 4.22Å; W11-P326 HydrophobicContact CD2-CG 3.61Å; W11-P326 HydrophobicContact CE3-CG 4.05Å; W11-P326 HydrophobicContact CG-CB 3.92Å; W11-P326 HydrophobicContact CG-CG 3.77Å; W11-P326 HydrophobicContact CZ2-CG 4.29Å; L26-P326 HydrophobicContact CD1-CB 3.34Å; L26-P326 HydrophobicContact CD1-CG 3.7Å; S315-P326 CarbonylContact C-O 3.59Å; S315-P326 WeakPolarHBondContact CA-O 3.25Å; L316-P326 HydrophobicContact CB-CB 4.48Å; L316-P326 HydrophobicContact CB-CG 4.49Å; L316-P326 PolarHBondContact N-O 2.84Å; Y319-P326 HydrophobicContact CD2-CG 3.82Å; Y319-P326 HydrophobicContact CG-CG 3.97Å | ||
| 327 | V | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 135 | 171.5 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | C9 T10 F222 T225 D248 I250 Y313 T314 | C9-V327 WeakPolarHBondContact CA-O 3.38Å; T10-V327 HydrophobicContact CG2-CB 4.05Å; T10-V327 PolarHBondContact N-O 2.81Å; T10-V327 PolarHBondContact O-N 3.28Å; F222-V327 HydrophobicContact CE2-CG2 4.08Å; F222-V327 HydrophobicContact CZ-CG1 4.26Å; T225-V327 HydrophobicContact CG2-CG2 3.48Å; T225-V327 VanDerWaalsContact CG2-CG2 3.48Å; D248-V327 HydrophobicContact CB-CB 4.47Å; D248-V327 HydrophobicContact CB-CG2 3.86Å; I250-V327 HydrophobicContact CD1-CG1 4.21Å; I250-V327 HydrophobicContact CG1-CG1 4.34Å; Y313-V327 HydrophobicContact CD2-CG1 4.06Å; Y313-V327 HydrophobicContact CE2-CG1 3.43Å; Y313-V327 VanDerWaalsContact CE2-CG1 3.43Å; T314-V327 WeakPolarHBondContact O-CA 3.33Å |
| 328 | I | 98.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145 | 176.2 | 60.8 | 163 | 0 | 0 | 0 | 111.7 | C8 C9 K312 Y313 T314 L316 | C8-I328 CarbonylContact O-C 3.58Å; C8-I328 VanDerWaalsContact O-CA 3.26Å; C8-I328 WeakPolarHBondContact O-CA 3.49Å; C9-I328 HydrophobicContact CB-CG2 4.08Å; K312-I328 HydrophobicContact CD-CD1 4.11Å; Y313-I328 WeakPolarHBondContact CA-O 3.09Å; Y313-I328 WeakPolarHBondContact CD2-O 3.31Å; T314-I328 HydrophobicContact CG2-CD1 4.22Å; T314-I328 HydrophobicContact CG2-CG1 3.84Å; T314-I328 PolarHBondContact N-O 3.3Å; T314-I328 PolarHBondContact O-N 2.94Å; L316-I328 HydrophobicContact CD1-CD1 4.14Å; L316-I328 HydrophobicContact CD1-CG1 4.27Å; L316-I328 HydrophobicContact CD1-CG2 3.82Å; L316-I328 HydrophobicContact CD2-CD1 3.93Å; L316-I328 HydrophobicContact CD2-CG1 4.19Å; L316-I328 HydrophobicContact CG-CD1 4.29Å; L316-I328 HydrophobicContact CG-CG1 4.17Å; L316-I328 HydrophobicContact CG-CG2 4.42Å |
| 329 | A | 98.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | C8 I250 L310 K312 Y313 F331 | C8-A329 HydrophobicContact CB-CB 4.31Å; C8-A329 PolarHBondContact N-O 3.1Å; C8-A329 PolarHBondContact O-N 2.72Å; I250-A329 HydrophobicContact CB-CB 4.02Å; I250-A329 HydrophobicContact CD1-CB 3.79Å; I250-A329 HydrophobicContact CG2-CB 3.72Å; L310-A329 HydrophobicContact CD1-CB 4.28Å; K312-A329 CarbonylContact O-C 3.52Å; K312-A329 VanDerWaalsContact O-CA 3.26Å; K312-A329 WeakPolarHBondContact O-CA 3.07Å; Y313-A329 HydrophobicContact CD2-CB 3.89Å; Y313-A329 HydrophobicContact CE2-CB 4.48Å; A329-F331 HydrophobicContact CB-CD2 4.48Å; A329-F331 HydrophobicContact CB-CE2 3.56Å; A329-F331 HydrophobicContact CB-CZ 3.81Å |
| 330 | V | 98.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 23.8 Ų | 23.8 | 10% | 0.103 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.6 | 179.5 | -171.7 | 0 | 0 | 0 | 0 | 109 | I5 V6 L311 K312 | I5-V330 HydrophobicContact CG2-CG1 3.82Å; V6-V330 WeakPolarHBondContact O-CA 3.17Å; L311-V330 HydrophobicContact CB-CB 4.42Å; L311-V330 HydrophobicContact CB-CG1 4.47Å; L311-V330 WeakPolarHBondContact CB-O 3.33Å; L311-V330 HydrophobicContact CD1-CG1 4.29Å; L311-V330 PolarHBondContact N-O 3.09Å; K312-V330 HydrophobicContact CB-CB 4.06Å; K312-V330 HydrophobicContact CB-CG2 4.07Å; K312-V330 HydrophobicContact CD-CG2 4.39Å; K312-V330 PolarHBondContact N-O 2.86Å; K312-V330 PolarHBondContact O-N 2.9Å |
| 331 | F | 98.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145.5 | -176.4 | -55.9 | -92.5 | 0 | 0 | 0 | 111 | I5 V6 C8 F167 I250 Y252 A308 V309 L310 A329 L333 | I5-F331 CarbonylContact C-O 3.53Å; I5-F331 VanDerWaalsContact CA-O 3.32Å; I5-F331 WeakPolarHBondContact CA-O 3.29Å; V6-F331 PolarHBondContact N-O 2.86Å; V6-F331 PolarHBondContact O-N 2.79Å; C8-F331 HydrophobicContact CB-CE2 4.23Å; F167-F331 HydrophobicContact CD1-CD2 4.02Å; F167-F331 AromaticContact CD1-CE2 3.6Å; F167-F331 HydrophobicContact CD1-CE2 3.6Å; F167-F331 AromaticContact CD1-CZ 3.92Å; F167-F331 HydrophobicContact CD1-CZ 3.92Å; F167-F331 HydrophobicContact CE1-CD1 4.06Å; F167-F331 AromaticContact CE1-CD2 3.5Å; F167-F331 HydrophobicContact CE1-CD2 3.5Å; F167-F331 HydrophobicContact CE1-CE1 4.06Å; F167-F331 AromaticContact CE1-CE2 3.52Å; F167-F331 HydrophobicContact CE1-CE2 3.52Å; F167-F331 AromaticContact CE1-CG 3.79Å; F167-F331 HydrophobicContact CE1-CG 3.79Å; F167-F331 AromaticContact CE1-CZ 3.8Å; F167-F331 HydrophobicContact CE1-CZ 3.8Å; F167-F331 HydrophobicContact CZ-CD2 4.35Å; F167-F331 HydrophobicContact CZ-CG 4.46Å; I250-F331 HydrophobicContact CG2-CZ 4.47Å; Y252-F331 AromaticContact CD1-CE1 3.5Å; Y252-F331 HydrophobicContact CD1-CE1 3.5Å; Y252-F331 AromaticContact CD1-CZ 3.86Å; Y252-F331 HydrophobicContact CD1-CZ 3.86Å; Y252-F331 HydrophobicContact CD2-CD1 4.45Å; Y252-F331 AromaticContact CD2-CE1 3.87Å; Y252-F331 HydrophobicContact CD2-CE1 3.87Å; Y252-F331 AromaticContact CE1-CE1 3.85Å; Y252-F331 HydrophobicContact CE1-CE1 3.85Å; Y252-F331 HydrophobicContact CE2-CE1 4.2Å; Y252-F331 HydrophobicContact CG-CD1 4.46Å; Y252-F331 AromaticContact CG-CE1 3.51Å; Y252-F331 HydrophobicContact CG-CE1 3.51Å; Y252-F331 AromaticContact CG-CZ 3.95Å; Y252-F331 HydrophobicContact CG-CZ 3.95Å; A308-F331 HydrophobicContact CB-CD1 4.43Å; V309-F331 CarbonylContact O-C 3.57Å; V309-F331 WeakPolarHBondContact O-CA 3.41Å; L310-F331 HydrophobicContact CB-CD1 4.3Å; L310-F331 HydrophobicContact CB-CE1 4.32Å; L310-F331 HydrophobicContact CD1-CD1 3.87Å; L310-F331 HydrophobicContact CD1-CE1 3.46Å; L310-F331 VanDerWaalsContact CD1-CE1 3.46Å; L310-F331 HydrophobicContact CD1-CE2 4.48Å; L310-F331 HydrophobicContact CD1-CZ 3.81Å; L310-F331 HydrophobicContact CG-CE1 4.47Å; A329-F331 HydrophobicContact CB-CD2 4.48Å; A329-F331 HydrophobicContact CB-CE2 3.56Å; A329-F331 HydrophobicContact CB-CZ 3.81Å; F331-L333 HydrophobicContact CB-CD2 3.62Å; F331-L333 HydrophobicContact CB-CG 4.26Å; F331-L333 HydrophobicContact CG-CD2 4.44Å |
| 332 | K | 96.6 | Very high | 92.3 | Very high | 96 Ų | 96 | 21 Ų | 21 | 42% | 0.417 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119.1 | 159.6 | -177.7 | -175.5 | -178.5 | -174.7 | 0 | 108 | S3 L4 V309 L311 | S3-K332 VanDerWaalsContact CB-CE 3.49Å; S3-K332 WeakPolarHBondContact OG-CE 3.3Å; L4-K332 WeakPolarHBondContact O-CA 3.35Å; V309-K332 HydrophobicContact CB-CB 4.4Å; V309-K332 PolarHBondContact N-O 2.88Å; V309-K332 PolarHBondContact O-N 3.05Å; L311-K332 HydrophobicContact CD1-CB 4.14Å; L311-K332 HydrophobicContact CD2-CB 4.18Å; L311-K332 HydrophobicContact CG-CB 4.26Å |
| 333 | L | 95.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 142 | -175.7 | -51.7 | -173.4 | 0 | 0 | 0 | 110.8 | S3 L4 V6 M122 Y165 F167 E307 A308 F331 | S3-L333 CarbonylContact C-O 3.53Å; S3-L333 WeakPolarHBondContact CA-O 3.45Å; S3-L333 WeakPolarHBondContact CB-O 3.47Å; L4-L333 PolarHBondContact N-O 3.1Å; L4-L333 PolarHBondContact O-N 2.83Å; V6-L333 HydrophobicContact CB-CD1 4.08Å; V6-L333 HydrophobicContact CB-CG 4.44Å; V6-L333 HydrophobicContact CG2-CD1 3.43Å; V6-L333 VanDerWaalsContact CG2-CD1 3.43Å; V6-L333 HydrophobicContact CG2-CG 3.95Å; M122-L333 HydrophobicContact CE-CD1 3.22Å; Y165-L333 HydrophobicContact CD1-CD1 4.1Å; Y165-L333 HydrophobicContact CD1-CD2 3.92Å; Y165-L333 HydrophobicContact CD1-CG 4.46Å; Y165-L333 HydrophobicContact CD2-CD1 4.24Å; Y165-L333 HydrophobicContact CE1-CB 4.13Å; Y165-L333 HydrophobicContact CE1-CD1 4.38Å; Y165-L333 HydrophobicContact CE1-CD2 3.85Å; Y165-L333 HydrophobicContact CE1-CG 4.34Å; Y165-L333 HydrophobicContact CE2-CB 4.32Å; Y165-L333 HydrophobicContact CE2-CD1 4.49Å; Y165-L333 HydrophobicContact CG-CD1 4.02Å; F167-L333 HydrophobicContact CE2-CD1 4.12Å; F167-L333 HydrophobicContact CZ-CD1 3.78Å; F167-L333 HydrophobicContact CZ-CD2 4.05Å; E307-L333 CarbonylContact O-C 3.51Å; E307-L333 VanDerWaalsContact O-CA 3.31Å; E307-L333 WeakPolarHBondContact O-CA 2.98Å; A308-L333 HydrophobicContact CB-CD2 3.4Å; A308-L333 VanDerWaalsContact CB-CD2 3.4Å; F331-L333 HydrophobicContact CB-CD2 3.62Å; F331-L333 HydrophobicContact CB-CG 4.26Å; F331-L333 HydrophobicContact CG-CD2 4.44Å |
| 334 | S | 91.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 20.5 Ų | 20.5 | 5% | 0.049 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 146.6 | 171.6 | 77.3 | 0 | 0 | 0 | 0 | 112.1 | Y165 H305 P306 E307 | Y165-S334 PolarHBondContact OH-N 3.02Å; Y165-S334 VanDerWaalsContact OH-N 3.13Å; Y165-S334 PolarHBondContact OH-O 3.02Å; Y165-S334 PolarHBondContact OH-OG 2.91Å; H305-S334 PolarHBondContact O-OG 3.26Å; P306-S334 WeakPolarHBondContact CA-OG 3.27Å; E307-S334 PolarHBondContact N-OG 2.98Å; E307-S334 PolarHBondContact O-N 2.93Å |
| 335 | V | 88.4 | Confident | 91.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -126.5 | 142.1 | -177.9 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | P2 L4 C118 I120 L375 | P2-V335 HydrophobicContact CG-CB 4.47Å; P2-V335 WeakPolarHBondContact CG-O 3.46Å; P2-V335 PolarHBondContact O-N 3.46Å; L4-V335 HydrophobicContact CB-CG2 4.38Å; L4-V335 HydrophobicContact CD1-CG2 3.62Å; L4-V335 HydrophobicContact CG-CG2 3.77Å; C118-V335 HydrophobicContact CB-CG1 3.57Å; I120-V335 HydrophobicContact CD1-CG2 4.37Å; V335-L375 HydrophobicContact CG1-CD1 3.68Å | ||
| 336 | P | 84.7 | Confident | 90.9 | Very high | 22 Ų | 22 | 26.1 Ų | 26.1 | 14% | 0.143 | 13% | 0.125 | C | C | . | . | trans | -61.7 | 147.3 | 176.7 | 26 | -34.3 | 0 | 0 | 0 | 111 | I120 F258 R338 | I120-P336 HydrophobicContact CG2-CG 4.38Å; F258-P336 HydrophobicContact CD2-CB 4.49Å; F258-P336 HydrophobicContact CE2-CB 4.35Å; P336-R338 PolarHBondContact O-N 3.5Å | ||
| 337 | P | 80.1 | Confident | 90.5 | Very high | 54 Ų | 54 | 29.3 Ų | 29.3 | 35% | 0.351 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -71.3 | 0.6 | -179.4 | 30.7 | -37.2 | 0 | 0 | 0 | 113.6 | R374 L375 | P337-R374 WeakPolarHBondContact O-CA 3.15Å; P337-L375 PolarHBondContact O-N 3.19Å |
| 338 | R | 80 | Confident | 89.8 | Confident | 127 Ų | 127 | 31.1 Ų | 31.1 | 48% | 0.479 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 147.4 | 176.9 | -54.2 | -174.6 | -168.4 | 172.6 | 6.5 | 110.6 | P336 L372 L373 R374 | P336-R338 PolarHBondContact O-N 3.5Å; R338-L372 HydrophobicContact CB-CD1 3.98Å; R338-L372 HydrophobicContact CB-CG 4.47Å; R338-L373 WeakPolarHBondContact CA-O 3.45Å; R338-L373 WeakPolarHBondContact CB-O 3.3Å; R338-R374 HydrophobicContact CG-CG 4.44Å |
| 339 | W | 82.7 | Confident | 89 | Confident | 13 Ų | 13 | 31.1 Ų | 31.1 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 163.8 | 178.3 | 66.5 | -73.2 | 0 | 0 | 0 | 109.3 | P87 A88 C118 L373 L375 L381 | P87-W339 WeakPolarHBondContact O-CH2 3.18Å; P87-W339 WeakPolarHBondContact O-CZ3 3.21Å; A88-W339 VanDerWaalsContact CA-CZ3 3.44Å; A88-W339 HydrophobicContact CB-CE3 4.09Å; A88-W339 HydrophobicContact CB-CH2 3.49Å; A88-W339 VanDerWaalsContact CB-CH2 3.49Å; A88-W339 HydrophobicContact CB-CZ2 3.97Å; A88-W339 HydrophobicContact CB-CZ3 3.57Å; C118-W339 WeakPolarHBondContact O-CB 3.15Å; W339-L373 HydrophobicContact CH2-CD1 3.69Å; W339-L373 HydrophobicContact CZ2-CB 4.26Å; W339-L373 HydrophobicContact CZ2-CD1 3.36Å; W339-L373 HydrophobicContact CZ2-CG 4.41Å; W339-L373 HydrophobicContact CZ3-CD1 4.5Å; W339-L373 PolarHBondContact N-O 3.03Å; W339-L373 PolarHBondContact O-N 3.22Å; W339-L375 VanDerWaalsContact CD1-CG 3.43Å; W339-L375 HydrophobicContact CG-CD1 4.22Å; W339-L381 HydrophobicContact CH2-CD1 4.32Å; W339-L381 HydrophobicContact CZ2-CD1 3.48Å; W339-L381 VanDerWaalsContact CZ2-CD1 3.48Å |
| 340 | F | 81 | Confident | 87.5 | Confident | 27 Ų | 27 | 33.3 Ų | 33.3 | 12% | 0.118 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 131.1 | -177.9 | -74.2 | -84.4 | 0 | 0 | 0 | 112.2 | P370 L372 P421 L422 A423 P424 | F340-P370 HydrophobicContact CB-CB 4.34Å; F340-P370 HydrophobicContact CD1-CB 4.37Å; F340-L372 HydrophobicContact CD1-CB 4.32Å; F340-L372 HydrophobicContact CD1-CD1 4.23Å; F340-L372 HydrophobicContact CD2-CD1 4.22Å; F340-L372 HydrophobicContact CE1-CB 4.03Å; F340-L372 HydrophobicContact CE1-CD1 3.97Å; F340-L372 HydrophobicContact CE2-CD1 3.96Å; F340-L372 HydrophobicContact CG-CD1 4.37Å; F340-L372 HydrophobicContact CZ-CD1 3.83Å; F340-P421 HydrophobicContact CE2-CB 4.29Å; F340-P421 HydrophobicContact CE2-CG 4.26Å; F340-P421 HydrophobicContact CZ-CG 4.13Å; F340-P421 WeakPolarHBondContact CZ-O 3.35Å; F340-L422 WeakPolarHBondContact CE2-O 3.17Å; F340-A423 HydrophobicContact CE1-CB 4.18Å; F340-A423 HydrophobicContact CZ-CB 4.21Å; F340-P424 HydrophobicContact CB-CG 4.02Å; F340-P424 VanDerWaalsContact CD2-CD 3.47Å; F340-P424 HydrophobicContact CD2-CG 4.38Å; F340-P424 VanDerWaalsContact CG-CD 3.45Å; F340-P424 HydrophobicContact CG-CG 4.13Å |
| 341 | S | 85.3 | Confident | 85.7 | Confident | 25 Ų | 25 | 36.7 Ų | 36.7 | 18% | 0.175 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -56.2 | 160.1 | 169.6 | 78.8 | 0 | 0 | 0 | 0 | 111.1 | P370 G371 | S341-P370 WeakPolarHBondContact O-CB 3.39Å; S341-G371 WeakPolarHBondContact CB-O 3.27Å; S341-G371 PolarHBondContact N-O 3.04Å; S341-G371 PolarHBondContact OG-N 2.86Å |
| 342 | L | 90 | Very high | 84.2 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 142.4 | 164.6 | -64.6 | 170.7 | 0 | 0 | 0 | 110.7 | T90 Q516 Y518 | T90-L342 HydrophobicContact CG2-CD2 3.43Å; T90-L342 VanDerWaalsContact CG2-CD2 3.43Å; L342-Q516 WeakPolarHBondContact CB-O 3.42Å; L342-Y518 HydrophobicContact CD1-CD2 3.48Å; L342-Y518 VanDerWaalsContact CD1-CD2 3.48Å; L342-Y518 HydrophobicContact CD1-CE2 3.5Å; L342-Y518 VanDerWaalsContact CD1-CE2 3.5Å |
| 343 | P | 88.7 | Confident | 82.9 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -74.5 | -31 | -175 | 26.5 | -35.2 | 0 | 0 | 0 | 114.1 | L367 P370 L427 Q516 | P343-L367 VanDerWaalsContact O-CB 3.26Å; P343-L367 WeakPolarHBondContact O-CB 3.31Å; P343-L367 WeakPolarHBondContact O-CG 3.32Å; P343-L367 PolarHBondContact O-N 3.26Å; P343-P370 HydrophobicContact CB-CG 4.14Å; P343-L427 HydrophobicContact CB-CB 4.23Å; P343-L427 HydrophobicContact CB-CD2 4.32Å; P343-L427 HydrophobicContact CG-CB 4.15Å; P343-L427 HydrophobicContact CG-CD2 3.9Å; P343-L427 HydrophobicContact CG-CG 4.47Å; P343-Q516 VanDerWaalsContact CD-O 3.31Å; P343-Q516 WeakPolarHBondContact CD-O 3.2Å; P343-Q516 HydrophobicContact CG-CB 3.99Å; P343-Q516 HydrophobicContact CG-CG 4.49Å |
| 344 | V | 90.6 | Very high | 82 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.8 | -176.6 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | Y364 L427 Y507 Q516 G517 | V344-Y364 HydrophobicContact CG1-CD2 3.81Å; V344-Y364 HydrophobicContact CG1-CG 4.3Å; V344-L427 HydrophobicContact CG2-CD2 3.48Å; V344-L427 VanDerWaalsContact CG2-CD2 3.48Å; V344-Y507 HydrophobicContact CB-CD2 4.33Å; V344-Y507 HydrophobicContact CB-CG 4.1Å; V344-Y507 HydrophobicContact CG1-CD2 3.79Å; V344-Y507 HydrophobicContact CG1-CE2 4.5Å; V344-Y507 HydrophobicContact CG1-CG 3.98Å; V344-Y507 HydrophobicContact CG2-CD1 3.83Å; V344-Y507 HydrophobicContact CG2-CD2 3.95Å; V344-Y507 HydrophobicContact CG2-CE1 4.1Å; V344-Y507 HydrophobicContact CG2-CE2 4.19Å; V344-Y507 HydrophobicContact CG2-CG 3.76Å; V344-Q516 WeakPolarHBondContact CA-O 3.49Å; V344-Q516 VanDerWaalsContact CB-O 3.27Å; V344-Q516 WeakPolarHBondContact CB-O 3.36Å; V344-Q516 HydrophobicContact CG2-CB 4.26Å; V344-Q516 PolarHBondContact N-O 3.14Å; V344-G517 VanDerWaalsContact O-CA 3.26Å; V344-G517 WeakPolarHBondContact O-CA 3.46Å |
| 345 | K | 91 | Very high | 81.4 | Confident | 121 Ų | 121 | 42.4 Ų | 42.4 | 53% | 0.526 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.9 | 172.2 | 177.9 | 176.4 | 177.8 | -172.6 | 0 | 110.3 | Y364 Q365 L367 | K345-Y364 CarbonylContact O-C 3.48Å; K345-Y364 VanDerWaalsContact O-CA 3.32Å; K345-Y364 WeakPolarHBondContact O-CA 3.38Å; K345-Y364 WeakPolarHBondContact O-CB 3.4Å; K345-Q365 PolarHBondContact N-O 3.29Å; K345-Q365 PolarHBondContact O-N 3.49Å; K345-L367 HydrophobicContact CB-CD1 4.11Å; K345-L367 HydrophobicContact CB-CG 4.45Å |
| 346 | F | 91.3 | Very high | 80.9 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 152.8 | 168.9 | -67.4 | -90 | 0 | 0 | 0 | 111.6 | I362 I435 L505 S519 | F346-I362 HydrophobicContact CD1-CG2 3.85Å; F346-I362 HydrophobicContact CE1-CG2 3.81Å; F346-I435 HydrophobicContact CE1-CD1 4.19Å; F346-I435 HydrophobicContact CE1-CG1 4.47Å; F346-I435 HydrophobicContact CE1-CG2 3.85Å; F346-I435 HydrophobicContact CZ-CG1 4.47Å; F346-I435 HydrophobicContact CZ-CG2 3.98Å; F346-L505 HydrophobicContact CD1-CB 4.21Å; F346-L505 HydrophobicContact CD1-CD1 3.82Å; F346-L505 HydrophobicContact CE1-CB 3.69Å; F346-L505 HydrophobicContact CE1-CD1 3.69Å; F346-L505 HydrophobicContact CE1-CG 4.36Å; F346-L505 HydrophobicContact CE2-CB 4.21Å; F346-L505 HydrophobicContact CZ-CB 3.68Å; F346-S519 VanDerWaalsContact CD2-N 3.32Å |
| 347 | I | 89.4 | Confident | 80.7 | Confident | 67 Ų | 67 | 47.2 Ų | 47.2 | 34% | 0.344 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | -35.7 | -178.3 | -61.1 | 161 | 0 | 0 | 0 | 109.8 | S363 Q365 F485 | I347-S363 WeakPolarHBondContact CB-O 3.45Å; I347-S363 PolarHBondContact N-O 2.93Å; I347-Q365 HydrophobicContact CD1-CB 4.11Å; I347-F485 HydrophobicContact CD1-CD1 3.37Å; I347-F485 HydrophobicContact CD1-CE1 3.43Å; I347-F485 VanDerWaalsContact CD1-CE1 3.43Å |
| 348 | E | 85.5 | Confident | 80.9 | Confident | 39 Ų | 39 | 48 Ų | 48 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.7 | 162.9 | -62.4 | 175.7 | 128.1 | 0 | 0 | 106.1 | K352 S363 | E348-K352 IonicContact OE1-NZ 3.47Å; E348-K352 PolarHBondContact OE1-NZ 3.31Å; E348-S363 PolarHBondContact N-O 3.03Å; E348-S363 VanDerWaalsContact N-O 3.11Å; E348-S363 PolarHBondContact O-N 3.38Å; E348-S363 WeakPolarHBondContact OE2-CB 3.48Å; E348-S363 PolarHBondContact OE2-OG 3.09Å |
| 349 | P | 82.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | cis | -89.3 | -1.4 | 19.4 | 33.1 | -36.4 | 0 | 0 | 0 | 117.3 | G351 K352 Y354 L360 L505 F522 | P349-G351 PolarHBondContact O-N 2.92Å; P349-G351 VanDerWaalsContact O-N 3.1Å; P349-K352 PolarHBondContact O-N 3.02Å; P349-Y354 HydrophobicContact CB-CD2 4Å; P349-Y354 HydrophobicContact CB-CE2 3.27Å; P349-L360 HydrophobicContact CB-CD1 4.04Å; P349-L360 HydrophobicContact CG-CD1 4.48Å; P349-L505 VanDerWaalsContact CD-CD1 3.49Å; P349-L505 HydrophobicContact CG-CD1 4.21Å; P349-F522 HydrophobicContact CB-CB 4.2Å; P349-F522 HydrophobicContact CB-CD1 4.19Å; P349-F522 HydrophobicContact CB-CD2 3.9Å; P349-F522 HydrophobicContact CB-CE2 4.3Å; P349-F522 HydrophobicContact CB-CG 3.84Å; P349-F522 HydrophobicContact CG-CB 4.1Å; P349-F522 HydrophobicContact CG-CD1 3.28Å; P349-F522 HydrophobicContact CG-CD2 3.81Å; P349-F522 HydrophobicContact CG-CE1 3.5Å; P349-F522 VanDerWaalsContact CG-CE1 3.5Å; P349-F522 HydrophobicContact CG-CE2 3.99Å; P349-F522 HydrophobicContact CG-CG 3.45Å; P349-F522 VanDerWaalsContact CG-CG 3.45Å; P349-F522 HydrophobicContact CG-CZ 3.84Å |
| 350 | D | 66.4 | Low | 81.6 | Confident | 48 Ų | 48 | 43.8 Ų | 43.8 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.4 | 113.8 | -174.6 | -76.3 | 21.4 | 0 | 0 | 0 | 113.8 | L520 | D350-L520 PolarHBondContact OD1-N 3.12Å; D350-L520 WeakPolarHBondContact OD2-CG 3.46Å |
| 351 | G | 60.4 | Low | 82 | Confident | 88 Ų | 88 | 46.4 Ų | 46.4 | 91% | 0.907 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | 4.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | P349 | P349-G351 PolarHBondContact O-N 2.92Å; P349-G351 VanDerWaalsContact O-N 3.1Å |
| 352 | K | 66.4 | Low | 82.3 | Confident | 109 Ų | 109 | 45.2 Ų | 45.2 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | trans | -116 | 148.6 | 176.5 | -65.9 | 178.2 | -179.9 | -173.7 | 0 | 112.4 | E348 P349 Y354 | E348-K352 IonicContact OE1-NZ 3.47Å; E348-K352 PolarHBondContact OE1-NZ 3.31Å; P349-K352 PolarHBondContact O-N 3.02Å; K352-Y354 HydrophobicContact CB-CD2 4.21Å; K352-Y354 HydrophobicContact CB-CE2 3.56Å; K352-Y354 HydrophobicContact CD-CE2 4.47Å | ||
| 353 | A | 68.9 | Low | 82.3 | Confident | 64 Ų | 64 | 44.9 Ų | 44.9 | 53% | 0.529 | 26% | 0.257 | S | S | . | . | trans | -90.5 | 143.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 354 | Y | 76.6 | Confident | 82.5 | Confident | 23 Ų | 23 | 44.6 Ų | 44.6 | 9% | 0.09 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132.9 | 179.9 | -72.6 | -101.3 | 0 | 0 | 0 | 109.7 | P349 K352 L360 E361 L524 Q525 | P349-Y354 HydrophobicContact CB-CD2 4Å; P349-Y354 HydrophobicContact CB-CE2 3.27Å; K352-Y354 HydrophobicContact CB-CD2 4.21Å; K352-Y354 HydrophobicContact CB-CE2 3.56Å; K352-Y354 HydrophobicContact CD-CE2 4.47Å; Y354-L360 HydrophobicContact CD1-CD1 3.67Å; Y354-L360 HydrophobicContact CD2-CD1 4.02Å; Y354-L360 HydrophobicContact CE1-CD1 3.68Å; Y354-L360 HydrophobicContact CE2-CD1 4.06Å; Y354-L360 HydrophobicContact CG-CD1 3.84Å; Y354-E361 PolarHBondContact OH-O 2.76Å; Y354-L524 WeakPolarHBondContact O-CA 3.42Å; Y354-Q525 PolarHBondContact O-N 3.12Å |
| 355 | S | 79 | Confident | 82.4 | Confident | 28 Ų | 28 | 45.8 Ų | 45.8 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 135.4 | 169.6 | 165.6 | 0 | 0 | 0 | 0 | 109.4 | N357 T358 Q525 D526 | S355-N357 PolarHBondContact O-N 2.88Å; S355-N357 VanDerWaalsContact O-N 3.1Å; S355-N357 WeakPolarHBondContact OG-CB 3.46Å; S355-N357 PolarHBondContact OG-N 2.82Å; S355-T358 PolarHBondContact O-N 3.2Å; S355-T358 PolarHBondContact O-OG1 2.75Å; S355-Q525 CarbonylContact C-O 3.54Å; S355-Q525 VanDerWaalsContact CA-O 3.27Å; S355-Q525 WeakPolarHBondContact CA-O 3.38Å; S355-D526 WeakPolarHBondContact CB-OXT 3.4Å; S355-D526 PolarHBondContact OG-OXT 3.33Å |
| 356 | F | 77.9 | Confident | 82.2 | Confident | 38 Ų | 38 | 41.3 Ų | 41.3 | 17% | 0.167 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.5 | 175.4 | 70.4 | -104.2 | 0 | 0 | 0 | 113.1 | T358 S492 L495 K496 P499 Q525 D526 | F356-T358 VanDerWaalsContact C-N 3.32Å; F356-S492 WeakPolarHBondContact O-CB 3.48Å; F356-L495 HydrophobicContact CB-CB 4.47Å; F356-K496 HydrophobicContact CD2-CG 4.31Å; F356-P499 HydrophobicContact CD1-CB 4.33Å; F356-P499 HydrophobicContact CE1-CB 4.47Å; F356-Q525 WeakPolarHBondContact CD1-O 3.45Å; F356-Q525 PolarHBondContact N-O 2.94Å; F356-D526 HydrophobicContact CE1-CB 4.03Å; F356-D526 WeakPolarHBondContact CE1-OD1 3.32Å |
| 357 | N | 81.5 | Confident | 81.9 | Confident | 86 Ų | 86 | 43.3 Ų | 43.3 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -19.9 | 175.4 | -65.1 | -71.1 | 0 | 0 | 0 | 112.8 | S355 S492 D526 | S355-N357 PolarHBondContact O-N 2.88Å; S355-N357 VanDerWaalsContact O-N 3.1Å; S355-N357 WeakPolarHBondContact OG-CB 3.46Å; S355-N357 PolarHBondContact OG-N 2.82Å; N357-S492 VanDerWaalsContact C-CB 3.45Å; N357-S492 WeakPolarHBondContact O-CB 3.05Å; N357-S492 PolarHBondContact O-OG 2.89Å; N357-S492 VanDerWaalsContact O-OG 3.06Å; N357-D526 PolarHBondContact ND2-OXT 3.12Å |
| 358 | T | 84.4 | Confident | 81.2 | Confident | 69 Ų | 69 | 44 Ų | 44 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -96.4 | 154.3 | 179.1 | 62.5 | 0 | 0 | 0 | 0 | 111.9 | S355 F356 S492 | S355-T358 PolarHBondContact O-N 3.2Å; S355-T358 PolarHBondContact O-OG1 2.75Å; F356-T358 VanDerWaalsContact C-N 3.32Å; T358-S492 WeakPolarHBondContact O-CB 3.4Å |
| 359 | N | 88.1 | Confident | 80.6 | Confident | 51 Ų | 51 | 46.2 Ų | 46.2 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | trans | -68.8 | 138.2 | 174.2 | -60.6 | -38.4 | 0 | 0 | 0 | 109.9 | E361 R489 I490 E491 S492 | N359-E361 PolarHBondContact O-N 2.69Å; N359-E361 VanDerWaalsContact O-N 3.1Å; N359-R489 HydrophobicContact CB-CG 3.71Å; N359-I490 CarbonylContact C-O 3.49Å; N359-I490 WeakPolarHBondContact CA-O 3.31Å; N359-E491 WeakPolarHBondContact OD1-CA 3.39Å; N359-S492 PolarHBondContact OD1-N 2.73Å | ||
| 360 | L | 89.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 95.2 | 170.9 | 176.9 | 60.8 | 0 | 0 | 0 | 108.3 | P349 Y354 I362 L437 R489 I490 L495 L505 F522 | P349-L360 HydrophobicContact CB-CD1 4.04Å; P349-L360 HydrophobicContact CG-CD1 4.48Å; Y354-L360 HydrophobicContact CD1-CD1 3.67Å; Y354-L360 HydrophobicContact CD2-CD1 4.02Å; Y354-L360 HydrophobicContact CE1-CD1 3.68Å; Y354-L360 HydrophobicContact CE2-CD1 4.06Å; Y354-L360 HydrophobicContact CG-CD1 3.84Å; L360-I362 HydrophobicContact CG-CG1 4.15Å; L360-L437 HydrophobicContact CD2-CD1 4.26Å; L360-R489 WeakPolarHBondContact O-CA 3.47Å; L360-I490 HydrophobicContact CB-CB 4.28Å; L360-I490 HydrophobicContact CD2-CD1 4.4Å; L360-I490 PolarHBondContact N-O 3.4Å; L360-I490 PolarHBondContact O-N 3.37Å; L360-L495 HydrophobicContact CB-CD1 3.87Å; L360-L505 HydrophobicContact CD2-CD2 4.26Å; L360-F522 HydrophobicContact CD1-CE2 4.03Å; L360-F522 HydrophobicContact CD2-CE2 3.83Å; L360-F522 HydrophobicContact CD2-CZ 3.74Å |
| 361 | E | 90 | Very high | 81.2 | Confident | 82 Ų | 82 | 46 Ų | 46 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 129.4 | 170.5 | -58.6 | -61.9 | 151.1 | 0 | 0 | 110 | Y354 N359 R489 | Y354-E361 PolarHBondContact OH-O 2.76Å; N359-E361 PolarHBondContact O-N 2.69Å; N359-E361 VanDerWaalsContact O-N 3.1Å; E361-R489 WeakPolarHBondContact OE1-CD 3.44Å; E361-R489 WeakPolarHBondContact OE1-CG 3.27Å |
| 362 | I | 91.2 | Very high | 82.3 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124 | -172.3 | -55 | 169.7 | 0 | 0 | 0 | 108.5 | F346 L360 Y364 I435 K487 A488 I490 L505 | F346-I362 HydrophobicContact CD1-CG2 3.85Å; F346-I362 HydrophobicContact CE1-CG2 3.81Å; L360-I362 HydrophobicContact CG-CG1 4.15Å; I362-Y364 HydrophobicContact CG2-CD1 4.35Å; I362-I435 HydrophobicContact CD1-CG2 4.11Å; I362-I435 HydrophobicContact CG2-CD1 4.24Å; I362-K487 CarbonylContact O-C 3.48Å; I362-K487 VanDerWaalsContact O-CA 3.3Å; I362-K487 WeakPolarHBondContact O-CA 3.42Å; I362-A488 WeakPolarHBondContact CA-O 3.46Å; I362-A488 HydrophobicContact CB-CB 4.33Å; I362-A488 WeakPolarHBondContact CB-O 3.48Å; I362-A488 PolarHBondContact N-O 3.22Å; I362-A488 PolarHBondContact O-N 2.85Å; I362-I490 HydrophobicContact CD1-CD1 4.05Å; I362-I490 HydrophobicContact CD1-CG1 3.93Å; I362-L505 HydrophobicContact CB-CD1 4.32Å; I362-L505 HydrophobicContact CD1-CD1 3.74Å; I362-L505 HydrophobicContact CD1-CD2 4.18Å; I362-L505 HydrophobicContact CG1-CD1 3.76Å; I362-L505 HydrophobicContact CG2-CD1 3.63Å |
| 363 | S | 90.3 | Very high | 83 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.5 | 173.5 | -68.5 | 0 | 0 | 0 | 0 | 109.6 | I347 E348 Y486 | I347-S363 WeakPolarHBondContact CB-O 3.45Å; I347-S363 PolarHBondContact N-O 2.93Å; E348-S363 PolarHBondContact N-O 3.03Å; E348-S363 VanDerWaalsContact N-O 3.11Å; E348-S363 PolarHBondContact O-N 3.38Å; E348-S363 WeakPolarHBondContact OE2-CB 3.48Å; E348-S363 PolarHBondContact OE2-OG 3.09Å; S363-Y486 WeakPolarHBondContact CA-O 3.48Å |
| 364 | Y | 91.1 | Very high | 83.7 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 159.2 | -178.8 | 62.3 | -81.5 | 0 | 0 | 0 | 112.3 | V344 K345 I362 I435 S456 Y486 A488 Y507 | V344-Y364 HydrophobicContact CG1-CD2 3.81Å; V344-Y364 HydrophobicContact CG1-CG 4.3Å; K345-Y364 CarbonylContact O-C 3.48Å; K345-Y364 VanDerWaalsContact O-CA 3.32Å; K345-Y364 WeakPolarHBondContact O-CA 3.38Å; K345-Y364 WeakPolarHBondContact O-CB 3.4Å; I362-Y364 HydrophobicContact CG2-CD1 4.35Å; Y364-I435 HydrophobicContact CD1-CD1 3.7Å; Y364-I435 HydrophobicContact CE1-CD1 3.39Å; Y364-I435 HydrophobicContact CG-CD1 4.47Å; Y364-S456 PolarHBondContact OH-N 3.04Å; Y364-S456 PolarHBondContact OH-O 3.04Å; Y364-S456 VanDerWaalsContact OH-O 3.06Å; Y364-Y486 HydrophobicContact CD2-CD2 4.46Å; Y364-Y486 HydrophobicContact CD2-CG 4.42Å; Y364-Y486 HydrophobicContact CE2-CD2 4.21Å; Y364-Y486 AromaticContact CE2-CG 3.84Å; Y364-Y486 HydrophobicContact CE2-CG 3.84Å; Y364-Y486 PolarHBondContact N-O 3.25Å; Y364-Y486 PolarHBondContact O-N 2.7Å; Y364-A488 HydrophobicContact CE1-CB 4.41Å; Y364-Y507 HydrophobicContact CD2-CD2 4.31Å; Y364-Y507 HydrophobicContact CD2-CE2 4.24Å; Y364-Y507 HydrophobicContact CE2-CD2 4.07Å; Y364-Y507 AromaticContact CE2-CE2 3.59Å; Y364-Y507 HydrophobicContact CE2-CE2 3.59Å |
| 365 | Q | 89.9 | Confident | 83.8 | Confident | 32 Ų | 32 | 48.9 Ų | 48.9 | 15% | 0.15 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.8 | 174 | -177.7 | -175.5 | -6 | 0 | 0 | 109.5 | K345 I347 L367 F485 | K345-Q365 PolarHBondContact N-O 3.29Å; K345-Q365 PolarHBondContact O-N 3.49Å; I347-Q365 HydrophobicContact CD1-CB 4.11Å; Q365-L367 HydrophobicContact CG-CD2 4.18Å; Q365-F485 HydrophobicContact CB-CD1 4.36Å; Q365-F485 HydrophobicContact CB-CE1 4.49Å |
| 366 | V | 86.9 | Confident | 83.7 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 16% | 0.158 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127.7 | 162.6 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | L427 T429 Y486 | V366-L427 HydrophobicContact CG1-CB 4.1Å; V366-L427 HydrophobicContact CG1-CD2 4.2Å; V366-T429 HydrophobicContact CG2-CG2 3.75Å; V366-Y486 HydrophobicContact CB-CE2 4.43Å; V366-Y486 HydrophobicContact CG2-CD2 4.24Å; V366-Y486 HydrophobicContact CG2-CE2 3.92Å |
| 367 | L | 83.4 | Confident | 83.3 | Confident | 46 Ų | 46 | 54 Ų | 54 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | trans | -99.2 | 111.1 | 176.4 | -56.4 | 176.5 | 0 | 0 | 0 | 108.4 | P343 K345 Q365 P369 | P343-L367 VanDerWaalsContact O-CB 3.26Å; P343-L367 WeakPolarHBondContact O-CB 3.31Å; P343-L367 WeakPolarHBondContact O-CG 3.32Å; P343-L367 PolarHBondContact O-N 3.26Å; K345-L367 HydrophobicContact CB-CD1 4.11Å; K345-L367 HydrophobicContact CB-CG 4.45Å; Q365-L367 HydrophobicContact CG-CD2 4.18Å; L367-P369 CarbonylContact C-O 3.54Å; L367-P369 CarbonylContact O-C 3.58Å | ||
| 368 | D | 75.9 | Confident | 82.8 | Confident | 82 Ų | 82 | 55.5 Ų | 55.5 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -129.1 | 121.2 | 175.5 | -160.9 | 45.3 | 0 | 0 | 0 | 110.5 | T426 | D368-T426 WeakPolarHBondContact OD1-CA 3.38Å; D368-T426 PolarHBondContact OD1-OG1 2.84Å; D368-T426 WeakPolarHBondContact OD2-CB 3.4Å; D368-T426 WeakPolarHBondContact OD2-CG2 3.38Å; D368-T426 PolarHBondContact OD2-OG1 2.95Å |
| 369 | P | 72.3 | Confident | 82.4 | Confident | 85 Ų | 85 | 53.9 Ų | 53.9 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | S | Bend | cis | -62.6 | 162 | -13.7 | 31.4 | -37.5 | 0 | 0 | 0 | 111.6 | L367 A423 | L367-P369 CarbonylContact C-O 3.54Å; L367-P369 CarbonylContact O-C 3.58Å; P369-A423 HydrophobicContact CB-CB 3.5Å |
| 370 | P | 80.2 | Confident | 81.8 | Confident | 10 Ų | 10 | 56 Ų | 56 | 7% | 0.065 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 167.6 | 174.2 | -14.7 | 28.7 | 0 | 0 | 0 | 112.3 | F340 S341 P343 L372 P424 | F340-P370 HydrophobicContact CB-CB 4.34Å; F340-P370 HydrophobicContact CD1-CB 4.37Å; S341-P370 WeakPolarHBondContact O-CB 3.39Å; P343-P370 HydrophobicContact CB-CG 4.14Å; P370-L372 PolarHBondContact O-N 2.88Å; P370-P424 HydrophobicContact CG-CG 3.96Å |
| 371 | G | 81.1 | Confident | 81.2 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 33% | 0.33 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 116.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | S341 L373 | S341-G371 WeakPolarHBondContact CB-O 3.27Å; S341-G371 PolarHBondContact N-O 3.04Å; S341-G371 PolarHBondContact OG-N 2.86Å; G371-L373 PolarHBondContact O-N 3.35Å |
| 372 | L | 83.3 | Confident | 80.5 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 109.1 | 172.4 | -175 | 66 | 0 | 0 | 0 | 110.4 | R338 F340 P370 P421 | R338-L372 HydrophobicContact CB-CD1 3.98Å; R338-L372 HydrophobicContact CB-CG 4.47Å; F340-L372 HydrophobicContact CD1-CB 4.32Å; F340-L372 HydrophobicContact CD1-CD1 4.23Å; F340-L372 HydrophobicContact CD2-CD1 4.22Å; F340-L372 HydrophobicContact CE1-CB 4.03Å; F340-L372 HydrophobicContact CE1-CD1 3.97Å; F340-L372 HydrophobicContact CE2-CD1 3.96Å; F340-L372 HydrophobicContact CG-CD1 4.37Å; F340-L372 HydrophobicContact CZ-CD1 3.83Å; P370-L372 PolarHBondContact O-N 2.88Å; L372-P421 HydrophobicContact CD1-CG 3.92Å; L372-P421 HydrophobicContact CD2-CG 3.8Å |
| 373 | L | 82 | Confident | 79.1 | Confident | 73 Ų | 73 | 57.4 Ų | 57.4 | 38% | 0.382 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 163.4 | -178.8 | -63.4 | 175.7 | 0 | 0 | 0 | 111.2 | R338 W339 G371 | R338-L373 WeakPolarHBondContact CA-O 3.45Å; R338-L373 WeakPolarHBondContact CB-O 3.3Å; W339-L373 HydrophobicContact CH2-CD1 3.69Å; W339-L373 HydrophobicContact CZ2-CB 4.26Å; W339-L373 HydrophobicContact CZ2-CD1 3.36Å; W339-L373 HydrophobicContact CZ2-CG 4.41Å; W339-L373 HydrophobicContact CZ3-CD1 4.5Å; W339-L373 PolarHBondContact N-O 3.03Å; W339-L373 PolarHBondContact O-N 3.22Å; G371-L373 PolarHBondContact O-N 3.35Å |
| 374 | R | 82.6 | Confident | 77.7 | Confident | 188 Ų | 188 | 59 Ų | 59 | 71% | 0.709 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.2 | 174.3 | -65.4 | -172.6 | -176.9 | -172.7 | 2.4 | 110.8 | P337 R338 N379 | P337-R374 WeakPolarHBondContact O-CA 3.15Å; R338-R374 HydrophobicContact CG-CG 4.44Å; R374-N379 PolarHBondContact O-ND2 2.94Å |
| 375 | L | 80.3 | Confident | 76.2 | Confident | 11 Ų | 11 | 68.4 Ų | 68.4 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | trans | -101.5 | 136.1 | 169.9 | -72.1 | 168.3 | 0 | 0 | 0 | 110.6 | P2 C118 V335 P337 W339 N379 L381 L382 | P2-L375 HydrophobicContact CB-CB 3.9Å; P2-L375 HydrophobicContact CG-CB 3.82Å; C118-L375 HydrophobicContact CB-CD1 3.71Å; V335-L375 HydrophobicContact CG1-CD1 3.68Å; P337-L375 PolarHBondContact O-N 3.19Å; W339-L375 VanDerWaalsContact CD1-CG 3.43Å; W339-L375 HydrophobicContact CG-CD1 4.22Å; L375-N379 HydrophobicContact CD2-CB 4.22Å; L375-L381 HydrophobicContact CD2-CD1 4.38Å; L375-L382 HydrophobicContact CD2-CD1 4.17Å; L375-L382 HydrophobicContact CD2-CG 4.27Å | ||
| 376 | S | 76.4 | Confident | 75 | Confident | 49 Ų | 49 | 75.3 Ų | 75.3 | 34% | 0.343 | 41% | 0.406 | S | S | . | . | trans | -130.8 | 160.7 | 165.4 | 59.4 | 0 | 0 | 0 | 0 | 107.3 | T378 N379 | S376-T378 PolarHBondContact O-N 3.17Å; S376-T378 PolarHBondContact OG-OG1 2.97Å; S376-N379 VanDerWaalsContact O-CB 3.26Å; S376-N379 WeakPolarHBondContact O-CB 3.48Å; S376-N379 PolarHBondContact O-N 3.15Å; S376-N379 PolarHBondContact OG-N 3.21Å | ||
| 377 | E | 69.8 | Low | 74.4 | Confident | 125 Ų | 125 | 76.9 Ų | 76.9 | 58% | 0.584 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.8 | 174.3 | -66.1 | 157.1 | -142.6 | 0 | 0 | 112.1 | M1 | M1-E377 WeakPolarHBondContact CA-OE1 3.31Å; M1-E377 PolarHBondContact N-OE1 2.78Å |
| 378 | T | 70.2 | Confident | 74.1 | Confident | 118 Ų | 118 | 79.6 Ų | 79.6 | 72% | 0.724 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 0.7 | 174.6 | 53.3 | 0 | 0 | 0 | 0 | 115.2 | S376 | S376-T378 PolarHBondContact O-N 3.17Å; S376-T378 PolarHBondContact OG-OG1 2.97Å |
| 379 | N | 77 | Confident | 74.2 | Confident | 34 Ų | 34 | 77.6 Ų | 77.6 | 18% | 0.182 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -67.5 | 142.1 | -179.9 | -175.8 | -54 | 0 | 0 | 0 | 110.4 | R374 L375 S376 L381 L382 S383 | R374-N379 PolarHBondContact O-ND2 2.94Å; L375-N379 HydrophobicContact CD2-CB 4.22Å; S376-N379 VanDerWaalsContact O-CB 3.26Å; S376-N379 WeakPolarHBondContact O-CB 3.48Å; S376-N379 PolarHBondContact O-N 3.15Å; S376-N379 PolarHBondContact OG-N 3.21Å; N379-L381 PolarHBondContact O-N 2.81Å; N379-L381 VanDerWaalsContact O-N 3.14Å; N379-L381 WeakPolarHBondContact OD1-CB 3.5Å; N379-L381 WeakPolarHBondContact OD1-CG 3.38Å; N379-L381 PolarHBondContact OD1-N 3.13Å; N379-L382 PolarHBondContact O-N 2.77Å; N379-S383 PolarHBondContact O-N 3.02Å; N379-S383 PolarHBondContact O-OG 3.03Å |
| 380 | S | 73.5 | Confident | 74.3 | Confident | 97 Ų | 97 | 79.9 Ų | 79.9 | 68% | 0.678 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.4 | -179 | 49.3 | 0 | 0 | 0 | 0 | 114.9 | S383 | S380-S383 WeakPolarHBondContact CA-OG 3.41Š|
| 381 | L | 76.9 | Confident | 74.1 | Confident | 29 Ų | 29 | 81.7 Ų | 81.7 | 15% | 0.152 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -30 | 173 | -62.5 | 168.8 | 0 | 0 | 0 | 112.5 | N84 L85 W339 L375 N379 | N84-L381 PolarHBondContact ND2-O 3.08Å; N84-L381 WeakPolarHBondContact O-CD2 3.02Å; L85-L381 HydrophobicContact CD2-CB 4.29Å; L85-L381 VanDerWaalsContact CD2-O 3.3Å; L85-L381 WeakPolarHBondContact CD2-O 3.21Å; W339-L381 HydrophobicContact CH2-CD1 4.32Å; W339-L381 HydrophobicContact CZ2-CD1 3.48Å; W339-L381 VanDerWaalsContact CZ2-CD1 3.48Å; L375-L381 HydrophobicContact CD2-CD1 4.38Å; N379-L381 PolarHBondContact O-N 2.81Å; N379-L381 VanDerWaalsContact O-N 3.14Å; N379-L381 WeakPolarHBondContact OD1-CB 3.5Å; N379-L381 WeakPolarHBondContact OD1-CG 3.38Å; N379-L381 PolarHBondContact OD1-N 3.13Å |
| 382 | L | 75.7 | Confident | 74.1 | Confident | 22 Ų | 22 | 84.5 Ų | 84.5 | 12% | 0.115 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -31.2 | 179.6 | -59 | 179.9 | 0 | 0 | 0 | 112.3 | P2 L4 L85 L375 N379 S384 | P2-L382 HydrophobicContact CB-CD1 3.51Å; L4-L382 HydrophobicContact CD2-CD2 3.7Å; L4-L382 HydrophobicContact CG-CD2 4.39Å; L85-L382 HydrophobicContact CD2-CD2 4.3Å; L375-L382 HydrophobicContact CD2-CD1 4.17Å; L375-L382 HydrophobicContact CD2-CG 4.27Å; N379-L382 PolarHBondContact O-N 2.77Å; L382-S384 PolarHBondContact O-N 2.73Å |
| 383 | S | 62.9 | Low | 74 | Confident | 61 Ų | 61 | 82.1 Ų | 82.1 | 43% | 0.427 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -80.5 | 61.6 | 173.1 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | N379 S380 K385 | N379-S383 PolarHBondContact O-N 3.02Å; N379-S383 PolarHBondContact O-OG 3.03Å; S380-S383 WeakPolarHBondContact CA-OG 3.41Å; S383-K385 PolarHBondContact O-N 2.7Å |
| 384 | S | 59.9 | Low | 73.8 | Confident | 46 Ų | 46 | 81.5 Ų | 81.5 | 32% | 0.322 | 44% | 0.444 | S | S | . | . | trans | -60 | 107.9 | 178.5 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | K82 L382 | K82-S384 PolarHBondContact NZ-OG 2.84Å; L382-S384 PolarHBondContact O-N 2.73Å | ||
| 385 | K | 59.7 | Low | 73.5 | Confident | 197 Ų | 197 | 79.3 Ų | 79.3 | 86% | 0.857 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 155.8 | 163.2 | -68.2 | -178 | 178.2 | -179.6 | 0 | 109.4 | S383 Y387 | S383-K385 PolarHBondContact O-N 2.7Å; K385-Y387 PolarHBondContact O-N 2.69Å; K385-Y387 VanDerWaalsContact O-N 3.09Å |
| 386 | Q | 64.5 | Low | 73.3 | Confident | 177 Ų | 177 | 78.9 Ų | 78.9 | 83% | 0.827 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 118.3 | 171.2 | 178.5 | 172.7 | -8.8 | 0 | 0 | 109.7 | ||
| 387 | Y | 74.7 | Confident | 73.1 | Confident | 59 Ų | 59 | 79.9 Ų | 79.9 | 23% | 0.231 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 144.2 | 170.3 | -178.1 | -101.5 | 0 | 0 | 0 | 109.7 | R83 K385 P389 E441 | R83-Y387 PolarHBondContact NE-OH 3.33Å; K385-Y387 PolarHBondContact O-N 2.69Å; K385-Y387 VanDerWaalsContact O-N 3.09Å; Y387-P389 HydrophobicContact CE1-CB 3.76Å; Y387-P389 HydrophobicContact CE1-CG 4.31Å; Y387-E441 PolarHBondContact OH-OE1 3.07Å |
| 388 | V | 76.4 | Confident | 72.9 | Confident | 103 Ų | 103 | 80.5 Ų | 80.5 | 62% | 0.624 | 45% | 0.445 | S | S | * | . | trans | -136.4 | 115.1 | 170.6 | -179.1 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 389 | P | 78.3 | Confident | 72.4 | Confident | 40 Ų | 40 | 76.1 Ų | 76.1 | 26% | 0.26 | 42% | 0.417 | S | S | . | . | trans | -65.6 | 143.3 | 177.2 | 27.9 | -34.5 | 0 | 0 | 0 | 110.5 | Y60 Y387 E441 | Y60-P389 HydrophobicContact CE1-CB 3.94Å; Y387-P389 HydrophobicContact CE1-CB 3.76Å; Y387-P389 HydrophobicContact CE1-CG 4.31Å; P389-E441 WeakPolarHBondContact CA-OE1 3.47Å | ||
| 390 | V | 74.3 | Confident | 71.3 | Confident | 134 Ų | 134 | 75.6 Ų | 75.6 | 81% | 0.812 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -88.1 | -26.9 | 172.7 | -170 | 0 | 0 | 0 | 0 | 110.7 | E441 | V390-E441 WeakPolarHBondContact CB-OE2 3.3Å; V390-E441 PolarHBondContact N-OE1 2.79Å; V390-E441 PolarHBondContact N-OE2 2.87Å |
| 391 | S | 77.6 | Confident | 69.8 | Low | 48 Ų | 48 | 76.8 Ų | 76.8 | 34% | 0.336 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -102.9 | 151.4 | -178.1 | -47.4 | 0 | 0 | 0 | 0 | 112.1 | Y60 E441 | Y60-S391 PolarHBondContact OH-O 3.1Å; Y60-S391 VanDerWaalsContact OH-O 3.11Å; S391-E441 VanDerWaalsContact CB-OE2 3.23Å; S391-E441 WeakPolarHBondContact CB-OE2 3.49Å; S391-E441 PolarHBondContact N-OE2 3.03Å; S391-E441 PolarHBondContact OG-OE2 2.97Å |
| 392 | D | 79.6 | Confident | 68 | Low | 91 Ų | 91 | 78.3 Ų | 78.3 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | trans | -82.2 | 141.3 | 167.7 | -171.3 | -62.9 | 0 | 0 | 0 | 109.2 | A394 K395 L396 | D392-A394 VanDerWaalsContact C-N 3.27Å; D392-A394 PolarHBondContact O-N 2.93Å; D392-A394 WeakPolarHBondContact OD1-CB 3.42Å; D392-A394 PolarHBondContact OD1-N 2.78Å; D392-K395 HydrophobicContact CB-CB 4.4Å; D392-K395 HydrophobicContact CB-CD 4.01Å; D392-K395 HydrophobicContact CB-CG 4.08Å; D392-K395 WeakPolarHBondContact O-CA 2.91Å; D392-K395 WeakPolarHBondContact O-CB 3.15Å; D392-K395 PolarHBondContact O-N 2.9Å; D392-L396 PolarHBondContact O-N 2.85Å | ||
| 393 | F | 82 | Confident | 65.9 | Low | 23 Ų | 23 | 81.1 Ų | 81.1 | 10% | 0.101 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -59.6 | -36.2 | -179.9 | -174.2 | -110 | 0 | 0 | 0 | 112.8 | L56 E57 Y60 K395 L396 L397 A443 | L56-F393 HydrophobicContact CB-CE2 4.03Å; L56-F393 HydrophobicContact CB-CZ 3.64Å; E57-F393 HydrophobicContact CB-CD1 4.48Å; E57-F393 HydrophobicContact CB-CE1 4.39Å; E57-F393 HydrophobicContact CG-CD1 3.65Å; E57-F393 HydrophobicContact CG-CE1 3.41Å; E57-F393 VanDerWaalsContact CG-CE1 3.41Å; E57-F393 HydrophobicContact CG-CZ 4.37Å; Y60-F393 HydrophobicContact CD1-CB 3.76Å; Y60-F393 AromaticContact CD1-CD2 3.71Å; Y60-F393 HydrophobicContact CD1-CD2 3.71Å; Y60-F393 HydrophobicContact CD1-CG 4.15Å; Y60-F393 HydrophobicContact CE1-CB 4.09Å; Y60-F393 HydrophobicContact CE1-CD2 4.42Å; Y60-F393 AromaticContact CG-CD2 3.78Å; Y60-F393 HydrophobicContact CG-CD2 3.78Å; F393-K395 VanDerWaalsContact C-N 3.25Å; F393-K395 PolarHBondContact O-N 2.65Å; F393-L396 HydrophobicContact CD2-CD2 4.15Å; F393-L396 HydrophobicContact CE2-CD2 4.26Å; F393-L396 WeakPolarHBondContact O-CB 3.26Å; F393-L396 PolarHBondContact O-N 2.81Å; F393-L396 VanDerWaalsContact O-N 3.16Å; F393-L397 HydrophobicContact CD1-CD1 4.1Å; F393-L397 HydrophobicContact CD1-CG 4.4Å; F393-L397 HydrophobicContact CE1-CD1 3.6Å; F393-L397 HydrophobicContact CE1-CD2 4.27Å; F393-L397 HydrophobicContact CE1-CG 3.97Å; F393-L397 HydrophobicContact CE2-CD2 4.46Å; F393-L397 HydrophobicContact CZ-CD1 4.11Å; F393-L397 HydrophobicContact CZ-CD2 3.91Å; F393-L397 HydrophobicContact CZ-CG 4.03Å; F393-L397 PolarHBondContact O-N 2.91Å; F393-L397 VanDerWaalsContact O-N 3.12Å; F393-A443 HydrophobicContact CD2-CB 4.49Å; F393-A443 HydrophobicContact CE2-CB 3.94Å |
| 394 | A | 78 | Confident | 64.5 | Low | 60 Ų | 60 | 86.8 Ų | 86.8 | 50% | 0.496 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.1 | -29.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D392 L398 | D392-A394 VanDerWaalsContact C-N 3.27Å; D392-A394 PolarHBondContact O-N 2.93Å; D392-A394 WeakPolarHBondContact OD1-CB 3.42Å; D392-A394 PolarHBondContact OD1-N 2.78Å; A394-L398 WeakPolarHBondContact O-CG 3.19Å |
| 395 | K | 75.3 | Confident | 62.9 | Low | 141 Ų | 141 | 88.8 Ų | 88.8 | 61% | 0.613 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -74.9 | -35.1 | 172.9 | -65.6 | 175.9 | -176.7 | 173 | 0 | 111.8 | D392 F393 | D392-K395 HydrophobicContact CB-CB 4.4Å; D392-K395 HydrophobicContact CB-CD 4.01Å; D392-K395 HydrophobicContact CB-CG 4.08Å; D392-K395 WeakPolarHBondContact O-CA 2.91Å; D392-K395 WeakPolarHBondContact O-CB 3.15Å; D392-K395 PolarHBondContact O-N 2.9Å; F393-K395 VanDerWaalsContact C-N 3.25Å; F393-K395 PolarHBondContact O-N 2.65Å |
| 396 | L | 76.5 | Confident | 61.5 | Low | 3 Ų | 3 | 83.7 Ų | 83.7 | 2% | 0.016 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 176 | -169.3 | 79.5 | 0 | 0 | 0 | 111.2 | Y60 D392 F393 L398 L399 N400 P439 A443 | Y60-L396 HydrophobicContact CD2-CD2 4.43Å; Y60-L396 HydrophobicContact CE2-CD2 4.32Å; D392-L396 PolarHBondContact O-N 2.85Å; F393-L396 HydrophobicContact CD2-CD2 4.15Å; F393-L396 HydrophobicContact CE2-CD2 4.26Å; F393-L396 WeakPolarHBondContact O-CB 3.26Å; F393-L396 PolarHBondContact O-N 2.81Å; F393-L396 VanDerWaalsContact O-N 3.16Å; L396-L398 VanDerWaalsContact C-N 3.29Å; L396-L398 PolarHBondContact O-N 3.43Å; L396-L399 WeakPolarHBondContact O-CB 3.15Å; L396-L399 PolarHBondContact O-N 3.1Å; L396-N400 PolarHBondContact O-ND2 2.93Å; L396-P439 HydrophobicContact CD1-CB 3.7Å; L396-P439 HydrophobicContact CD1-CG 4.02Å; L396-A443 HydrophobicContact CD2-CB 3.63Å |
| 397 | L | 72.8 | Confident | 59.8 | Low | 70 Ų | 70 | 83.8 Ų | 83.8 | 37% | 0.366 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -33.9 | -178.3 | -70.3 | 178.1 | 0 | 0 | 0 | 113.7 | F393 L399 N400 | F393-L397 HydrophobicContact CD1-CD1 4.1Å; F393-L397 HydrophobicContact CD1-CG 4.4Å; F393-L397 HydrophobicContact CE1-CD1 3.6Å; F393-L397 HydrophobicContact CE1-CD2 4.27Å; F393-L397 HydrophobicContact CE1-CG 3.97Å; F393-L397 HydrophobicContact CE2-CD2 4.46Å; F393-L397 HydrophobicContact CZ-CD1 4.11Å; F393-L397 HydrophobicContact CZ-CD2 3.91Å; F393-L397 HydrophobicContact CZ-CG 4.03Å; F393-L397 PolarHBondContact O-N 2.91Å; F393-L397 VanDerWaalsContact O-N 3.12Å; L397-L399 PolarHBondContact O-N 2.88Å; L397-L399 VanDerWaalsContact O-N 3.17Å; L397-N400 PolarHBondContact O-N 2.88Å |
| 398 | L | 64.9 | Low | 57.8 | Low | 137 Ų | 137 | 83 Ų | 83 | 72% | 0.717 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.7 | 179.8 | -73.3 | 169.5 | 0 | 0 | 0 | 113.8 | A394 L396 | A394-L398 WeakPolarHBondContact O-CG 3.19Å; L396-L398 VanDerWaalsContact C-N 3.29Å; L396-L398 PolarHBondContact O-N 3.43Å |
| 399 | L | 59.3 | Low | 55.5 | Low | 27 Ų | 27 | 79.4 Ų | 79.4 | 14% | 0.141 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -18 | 178.9 | -51.2 | 170.5 | 0 | 0 | 0 | 112.5 | L396 L397 P439 Q501 | L396-L399 WeakPolarHBondContact O-CB 3.15Å; L396-L399 PolarHBondContact O-N 3.1Å; L397-L399 PolarHBondContact O-N 2.88Å; L397-L399 VanDerWaalsContact O-N 3.17Å; L399-P439 HydrophobicContact CB-CG 4.35Å; L399-P439 HydrophobicContact CD1-CB 3.92Å; L399-P439 HydrophobicContact CD1-CG 3.64Å; L399-Q501 VanDerWaalsContact CD2-OE1 3.29Å |
| 400 | N | 54.1 | Low | 53.2 | Low | 22 Ų | 22 | 85.1 Ų | 85.1 | 12% | 0.118 | 49% | 0.491 | C | S | . | . | trans | -107.6 | 35.5 | -157.1 | -57.5 | -18.3 | 0 | 0 | 0 | 112.9 | L396 L397 P402 D448 | L396-N400 PolarHBondContact O-ND2 2.93Å; L397-N400 PolarHBondContact O-N 2.88Å; N400-P402 WeakPolarHBondContact O-CD 3.49Å; N400-P402 WeakPolarHBondContact O-CG 3.32Å; N400-D448 WeakPolarHBondContact ND2-CB 3.3Å; N400-D448 PolarHBondContact ND2-OD1 2.84Å | ||
| 401 | T | 42.1 | Very low | 51.2 | Low | 122 Ų | 122 | 83.8 Ų | 83.8 | 75% | 0.748 | 49% | 0.488 | S | S | * | . | trans | -95.9 | 96 | 175 | 54.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 402 | P | 40.1 | Very low | 48.8 | Very low | 62 Ų | 62 | 83.9 Ų | 83.9 | 40% | 0.403 | 50% | 0.496 | S | S | . | . | trans | -102.6 | 130.7 | -155.8 | 0.3 | 22.5 | 0 | 0 | 0 | 115.2 | N400 H404 | N400-P402 WeakPolarHBondContact O-CD 3.49Å; N400-P402 WeakPolarHBondContact O-CG 3.32Å; P402-H404 PolarHBondContact O-N 3.05Å; P402-H404 VanDerWaalsContact O-N 3.16Å | ||
| 403 | G | 31.2 | Very low | 46.5 | Very low | 81 Ų | 81 | 83.9 Ų | 83.9 | 84% | 0.835 | 50% | 0.503 | S | S | * | . | trans | -85.4 | 59.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 404 | H | 32.7 | Very low | 44.2 | Very low | 180 Ų | 180 | 88 Ų | 88 | 83% | 0.833 | 53% | 0.531 | S | S | * | . | trans | 61.4 | 177.6 | 161.4 | -92.6 | 19.9 | 0 | 0 | 0 | 119.8 | P402 | P402-H404 PolarHBondContact O-N 3.05Å; P402-H404 VanDerWaalsContact O-N 3.16Å | ||
| 405 | S | 27.8 | Very low | 42.2 | Very low | 88 Ų | 88 | 91.1 Ų | 91.1 | 62% | 0.615 | 54% | 0.539 | S | S | * | . | trans | -145.3 | 166.1 | -154.4 | 68.3 | 0 | 0 | 0 | 0 | 115.1 | Y452 | S405-Y452 WeakPolarHBondContact CA-OH 3.47Å; S405-Y452 WeakPolarHBondContact CB-OH 2.97Å | ||
| 406 | S | 30.4 | Very low | 40.3 | Very low | 90 Ų | 90 | 90.9 Ų | 90.9 | 63% | 0.629 | 54% | 0.544 | S | S | * | . | trans | -171.9 | 171.8 | 149.2 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | Y452 Y454 | S406-Y452 PolarHBondContact N-OH 2.76Å; S406-Y452 PolarHBondContact O-OH 3.05Å; S406-Y454 WeakPolarHBondContact O-CE2 3.31Å; S406-Y454 PolarHBondContact O-OH 3.17Å | ||
| 407 | K | 29 | Very low | 38.3 | Very low | 179 Ų | 179 | 96.2 Ų | 96.2 | 78% | 0.778 | 57% | 0.573 | S | S | * | * | trans | -118.7 | 159.3 | -145.4 | -49.3 | 159.2 | -175.8 | 166.9 | 0 | 116.3 | F432 | K407-F432 VanDerWaalsContact C-CE1 3.49Å; K407-F432 HydrophobicContact CB-CD1 4.04Å; K407-F432 HydrophobicContact CB-CE1 3.91Å | ||
| 408 | S | 31.4 | Very low | 36.5 | Very low | 41 Ų | 41 | 99.8 Ų | 99.8 | 29% | 0.287 | 59% | 0.593 | S | S | . | * | trans | -124.1 | -161.3 | 162.3 | 55.1 | 0 | 0 | 0 | 0 | 126.8 | S431 F432 Y454 | S408-S431 WeakPolarHBondContact CB-O 3.25Å; S408-S431 PolarHBondContact OG-O 3.02Å; S408-F432 VanDerWaalsContact C-CB 3.46Å; S408-F432 WeakPolarHBondContact O-CD1 3.44Å; S408-F432 WeakPolarHBondContact O-CD2 3.46Å; S408-F432 WeakPolarHBondContact O-CE1 3.38Å; S408-F432 WeakPolarHBondContact O-CE2 3.45Å; S408-F432 WeakPolarHBondContact O-CG 3.31Å; S408-F432 WeakPolarHBondContact O-CZ 3.45Å; S408-F432 VanDerWaalsContact OG-CA 3.25Å; S408-F432 WeakPolarHBondContact OG-CA 3.45Å; S408-F432 WeakPolarHBondContact OG-CD2 3.23Å; S408-F432 WeakPolarHBondContact OG-CG 3.42Å; S408-Y454 VanDerWaalsContact OG-CD1 3.31Å; S408-Y454 WeakPolarHBondContact OG-CD1 3.42Å; S408-Y454 VanDerWaalsContact OG-CE1 3.29Å; S408-Y454 WeakPolarHBondContact OG-CE1 3.46Å | ||
| 409 | G | 29.1 | Very low | 35 | Very low | 28 Ų | 28 | 99.5 Ų | 99.5 | 29% | 0.289 | 59% | 0.591 | S | S | . | * | cis | 144.4 | 77.6 | -4.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T430 S431 | G409-T430 VanDerWaalsContact O-CB 3.26Å; G409-T430 WeakPolarHBondContact O-CB 3.5Å; G409-S431 PolarHBondContact O-N 3.1Å | ||
| 410 | K | 29.3 | Very low | 33.9 | Very low | 161 Ų | 161 | 100.1 Ų | 100.1 | 70% | 0.7 | 60% | 0.604 | S | S | * | * | trans | -105.6 | 175.8 | 179.7 | -69.8 | -173.6 | 151.1 | -170.1 | 0 | 112.1 | T430 N511 | K410-T430 HydrophobicContact CG-CG2 4.31Å; K410-N511 WeakPolarHBondContact CE-OD1 3.49Å | ||
| 411 | S | 32.2 | Very low | 33.5 | Very low | 105 Ų | 105 | 101.6 Ų | 101.6 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | cis | -165.1 | 165 | 1 | 13.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 412 | G | 26.4 | Very low | 33.6 | Very low | 50 Ų | 50 | 99 Ų | 99 | 52% | 0.515 | 60% | 0.596 | S | S | . | * | trans | 112 | 121.7 | 156 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 413 | S | 31.8 | Very low | 34 | Very low | 91 Ų | 91 | 98.1 Ų | 98.1 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | cis | 89.1 | 143.2 | 44 | 76.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 414 | T | 33.8 | Very low | 35.1 | Very low | 110 Ų | 110 | 95.9 Ų | 95.9 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | cis | -158.7 | 153.9 | 31.6 | 30.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 415 | N | 35.6 | Very low | 36.1 | Very low | 126 Ų | 126 | 92.3 Ų | 92.3 | 67% | 0.674 | 56% | 0.557 | S | S | * | * | trans | 64.5 | 152.9 | 140.7 | -67.7 | 47.5 | 0 | 0 | 0 | 119.8 | ||||
| 416 | D | 36.9 | Very low | 37.5 | Very low | 135 Ų | 135 | 91.9 Ų | 91.9 | 72% | 0.722 | 55% | 0.551 | S | S | * | * | cis | -166 | 173 | -8.5 | -89.5 | -16 | 0 | 0 | 0 | 107.1 | ||||
| 417 | D | 34.2 | Very low | 39.2 | Very low | 116 Ų | 116 | 88 Ų | 88 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | cis | -168.6 | 159 | -34.7 | 179.5 | 40 | 0 | 0 | 0 | 107.8 | ||||
| 418 | D | 34.7 | Very low | 40.9 | Very low | 145 Ų | 145 | 83.3 Ų | 83.3 | 78% | 0.775 | 50% | 0.504 | S | S | * | . | trans | -163.8 | 152 | 156.5 | -155.6 | -5.9 | 0 | 0 | 0 | 112 | G420 | D418-G420 PolarHBondContact O-N 3.13Š| ||
| 419 | L | 32.4 | Very low | 42.4 | Very low | 131 Ų | 131 | 83.5 Ų | 83.5 | 69% | 0.686 | 50% | 0.504 | S | S | * | . | trans | -80.1 | 111.4 | -156.2 | -77.7 | 154.3 | 0 | 0 | 0 | 116.1 | L264 | L264-L419 HydrophobicContact CD2-CD2 4.41Š| ||
| 420 | G | 36.5 | Very low | 44.2 | Very low | 39 Ų | 39 | 82.5 Ų | 82.5 | 40% | 0.402 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -119.3 | -157.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D418 L422 | D418-G420 PolarHBondContact O-N 3.13Å; G420-L422 PolarHBondContact O-N 3.41Å |
| 421 | P | 46.4 | Very low | 46.1 | Very low | 54 Ų | 54 | 77.3 Ų | 77.3 | 35% | 0.351 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -56.1 | 129.9 | 144.6 | 29.3 | -31.6 | 0 | 0 | 0 | 106.5 | F340 L372 A423 | F340-P421 HydrophobicContact CE2-CB 4.29Å; F340-P421 HydrophobicContact CE2-CG 4.26Å; F340-P421 HydrophobicContact CZ-CG 4.13Å; F340-P421 WeakPolarHBondContact CZ-O 3.35Å; L372-P421 HydrophobicContact CD1-CG 3.92Å; L372-P421 HydrophobicContact CD2-CG 3.8Å; P421-A423 PolarHBondContact O-N 3Å |
| 422 | L | 44.9 | Very low | 48.4 | Very low | 67 Ų | 67 | 75.3 Ų | 75.3 | 35% | 0.351 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 128.3 | -175 | -69.4 | 171.5 | 0 | 0 | 0 | 109.5 | L264 F340 G420 | L264-L422 HydrophobicContact CD2-CD1 4.18Å; L264-L422 HydrophobicContact CD2-CG 4.14Å; F340-L422 WeakPolarHBondContact CE2-O 3.17Å; G420-L422 PolarHBondContact O-N 3.41Å |
| 423 | A | 46.8 | Very low | 51.3 | Low | 44 Ų | 44 | 72.9 Ų | 72.9 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 136 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | F340 P369 P421 | F340-A423 HydrophobicContact CE1-CB 4.18Å; F340-A423 HydrophobicContact CZ-CB 4.21Å; P369-A423 HydrophobicContact CB-CB 3.5Å; P421-A423 PolarHBondContact O-N 3Å |
| 424 | P | 55.6 | Low | 54.1 | Low | 34 Ų | 34 | 70.9 Ų | 70.9 | 22% | 0.221 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 137 | 176.9 | 26.2 | -35.3 | 0 | 0 | 0 | 108.2 | F340 P370 T426 | F340-P424 HydrophobicContact CB-CG 4.02Å; F340-P424 VanDerWaalsContact CD2-CD 3.47Å; F340-P424 HydrophobicContact CD2-CG 4.38Å; F340-P424 VanDerWaalsContact CG-CD 3.45Å; F340-P424 HydrophobicContact CG-CG 4.13Å; P370-P424 HydrophobicContact CG-CG 3.96Å; P424-T426 PolarHBondContact O-N 3.43Å |
| 425 | P | 53 | Low | 56.9 | Low | 104 Ų | 104 | 65.6 Ų | 65.6 | 68% | 0.675 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -47.7 | 132.5 | -170.7 | -32.3 | 34.9 | 0 | 0 | 0 | 112.8 | L427 K512 | P425-L427 PolarHBondContact O-N 3.01Å; P425-K512 PolarHBondContact O-NZ 2.97Å; P425-K512 VanDerWaalsContact O-NZ 3.13Å |
| 426 | T | 56.5 | Low | 59.7 | Low | 80 Ų | 80 | 59.6 Ų | 59.6 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | trans | -33.7 | 131.1 | -177.6 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | D368 P424 Q428 | D368-T426 WeakPolarHBondContact OD1-CA 3.38Å; D368-T426 PolarHBondContact OD1-OG1 2.84Å; D368-T426 WeakPolarHBondContact OD2-CB 3.4Å; D368-T426 WeakPolarHBondContact OD2-CG2 3.38Å; D368-T426 PolarHBondContact OD2-OG1 2.95Å; P424-T426 PolarHBondContact O-N 3.43Å; T426-Q428 VanDerWaalsContact C-N 3.26Å; T426-Q428 PolarHBondContact O-N 3.14Å | ||
| 427 | L | 66.9 | Low | 62.3 | Low | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | trans | -65 | 92.4 | 174.3 | -179.1 | 65.8 | 0 | 0 | 0 | 109.3 | P343 V344 V366 P425 T429 Y507 Q516 | P343-L427 HydrophobicContact CB-CB 4.23Å; P343-L427 HydrophobicContact CB-CD2 4.32Å; P343-L427 HydrophobicContact CG-CB 4.15Å; P343-L427 HydrophobicContact CG-CD2 3.9Å; P343-L427 HydrophobicContact CG-CG 4.47Å; V344-L427 HydrophobicContact CG2-CD2 3.48Å; V344-L427 VanDerWaalsContact CG2-CD2 3.48Å; V366-L427 HydrophobicContact CG1-CB 4.1Å; V366-L427 HydrophobicContact CG1-CD2 4.2Å; P425-L427 PolarHBondContact O-N 3.01Å; L427-T429 HydrophobicContact CD2-CG2 4.19Å; L427-T429 HydrophobicContact CG-CG2 4.2Å; L427-T429 PolarHBondContact O-N 2.93Å; L427-Y507 HydrophobicContact CD2-CE1 4.19Å; L427-Q516 HydrophobicContact CD1-CG 4.04Å; L427-Q516 HydrophobicContact CD2-CB 4.3Å | ||
| 428 | Q | 65 | Low | 65.1 | Low | 79 Ų | 79 | 47.8 Ų | 47.8 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | trans | -65.2 | 89.1 | 166.4 | -66.5 | -171.6 | 22.8 | 0 | 0 | 107.8 | T426 T430 N511 | T426-Q428 VanDerWaalsContact C-N 3.26Å; T426-Q428 PolarHBondContact O-N 3.14Å; Q428-T430 PolarHBondContact O-N 2.75Å; Q428-N511 PolarHBondContact O-ND2 2.96Å | ||
| 429 | T | 63.2 | Low | 67.7 | Low | 46 Ų | 46 | 41.1 Ų | 41.1 | 28% | 0.282 | 25% | 0.245 | S | C | . | . | trans | -58.8 | 125.4 | 175.2 | 49.3 | 0 | 0 | 0 | 0 | 108.9 | V366 L427 D433 | V366-T429 HydrophobicContact CG2-CG2 3.75Å; L427-T429 HydrophobicContact CD2-CG2 4.19Å; L427-T429 HydrophobicContact CG-CG2 4.2Å; L427-T429 PolarHBondContact O-N 2.93Å; T429-D433 WeakPolarHBondContact CA-OD2 3.5Å | ||
| 430 | T | 66.5 | Low | 70.4 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | trans | -102.3 | 151.7 | 174.4 | 74.2 | 0 | 0 | 0 | 0 | 109.7 | G409 K410 Q428 F432 D433 R510 N511 | G409-T430 VanDerWaalsContact O-CB 3.26Å; G409-T430 WeakPolarHBondContact O-CB 3.5Å; K410-T430 HydrophobicContact CG-CG2 4.31Å; Q428-T430 PolarHBondContact O-N 2.75Å; T430-F432 PolarHBondContact O-N 3.16Å; T430-F432 PolarHBondContact OG1-N 3.27Å; T430-D433 PolarHBondContact N-OD2 2.84Å; T430-D433 WeakPolarHBondContact O-CB 3.35Å; T430-D433 PolarHBondContact O-N 3.01Å; T430-D433 PolarHBondContact OG1-N 3.06Å; T430-D433 PolarHBondContact OG1-OD1 3.01Å; T430-R510 WeakPolarHBondContact OG1-CB 3.16Å; T430-N511 VanDerWaalsContact CG2-CG 3.48Å; T430-N511 WeakPolarHBondContact CG2-ND2 3.15Å; T430-N511 WeakPolarHBondContact CG2-OD1 3.22Å | ||
| 431 | S | 68.9 | Low | 72.9 | Confident | 52 Ų | 52 | 35 Ų | 35 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 4 | 169.4 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | S408 G409 Y454 | S408-S431 WeakPolarHBondContact CB-O 3.25Å; S408-S431 PolarHBondContact OG-O 3.02Å; G409-S431 PolarHBondContact O-N 3.1Å; S431-Y454 WeakPolarHBondContact O-CD1 3Å |
| 432 | F | 80.2 | Confident | 75.1 | Confident | 63 Ų | 63 | 32.6 Ų | 32.6 | 28% | 0.276 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -0.9 | 174.5 | -71.6 | -139 | 0 | 0 | 0 | 112.9 | K407 S408 T430 Y454 R510 | K407-F432 VanDerWaalsContact C-CE1 3.49Å; K407-F432 HydrophobicContact CB-CD1 4.04Å; K407-F432 HydrophobicContact CB-CE1 3.91Å; S408-F432 VanDerWaalsContact C-CB 3.46Å; S408-F432 WeakPolarHBondContact O-CD1 3.44Å; S408-F432 WeakPolarHBondContact O-CD2 3.46Å; S408-F432 WeakPolarHBondContact O-CE1 3.38Å; S408-F432 WeakPolarHBondContact O-CE2 3.45Å; S408-F432 WeakPolarHBondContact O-CG 3.31Å; S408-F432 WeakPolarHBondContact O-CZ 3.45Å; S408-F432 VanDerWaalsContact OG-CA 3.25Å; S408-F432 WeakPolarHBondContact OG-CA 3.45Å; S408-F432 WeakPolarHBondContact OG-CD2 3.23Å; S408-F432 WeakPolarHBondContact OG-CG 3.42Å; T430-F432 PolarHBondContact O-N 3.16Å; T430-F432 PolarHBondContact OG1-N 3.27Å; F432-Y454 HydrophobicContact CB-CE1 4.44Å; F432-Y454 WeakPolarHBondContact O-CE1 3.3Å; F432-R510 HydrophobicContact CB-CB 4Å; F432-R510 HydrophobicContact CB-CG 3.78Å; F432-R510 WeakPolarHBondContact O-CB 3.41Å |
| 433 | D | 87.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -66.1 | 149.4 | 164.6 | -68.1 | -2.6 | 0 | 0 | 0 | 108.1 | T429 T430 Y454 A455 Y507 M508 S509 R510 | T429-D433 WeakPolarHBondContact CA-OD2 3.5Å; T430-D433 PolarHBondContact N-OD2 2.84Å; T430-D433 WeakPolarHBondContact O-CB 3.35Å; T430-D433 PolarHBondContact O-N 3.01Å; T430-D433 PolarHBondContact OG1-N 3.06Å; T430-D433 PolarHBondContact OG1-OD1 3.01Å; D433-Y454 VanDerWaalsContact O-CD1 3.31Å; D433-Y454 WeakPolarHBondContact O-CD1 3.43Å; D433-A455 HydrophobicContact CB-CB 3.91Å; D433-A455 VanDerWaalsContact O-CB 3.31Å; D433-A455 WeakPolarHBondContact O-CB 3.26Å; D433-A455 PolarHBondContact O-N 2.85Å; D433-Y507 HydrophobicContact CB-CE1 3.74Å; D433-Y507 VanDerWaalsContact CB-OH 3.23Å; D433-Y507 WeakPolarHBondContact CB-OH 3.42Å; D433-Y507 WeakPolarHBondContact OD2-CE1 3.33Å; D433-Y507 PolarHBondContact OD2-OH 2.73Å; D433-M508 WeakPolarHBondContact CA-O 3.49Å; D433-S509 WeakPolarHBondContact OD1-CA 3.36Å; D433-S509 PolarHBondContact OD1-OG 3.47Å; D433-R510 PolarHBondContact OD1-N 3.32Å | ||
| 434 | W | 90.8 | Very high | 79.7 | Confident | 48 Ų | 48 | 27.5 Ų | 27.5 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.7 | -175 | 66.9 | 98.1 | 0 | 0 | 0 | 113.1 | Y452 V453 Y454 M508 R510 | W434-Y452 HydrophobicContact CB-CD2 3.83Å; W434-Y452 HydrophobicContact CG-CD2 4.14Å; W434-Y452 HydrophobicContact CG-CG 4.49Å; W434-V453 CarbonylContact C-O 3.57Å; W434-V453 WeakPolarHBondContact CA-O 3.21Å; W434-V453 WeakPolarHBondContact CB-O 3.46Å; W434-Y454 HydrophobicContact CB-CD1 4.42Å; W434-Y454 HydrophobicContact CB-CE1 4.36Å; W434-M508 HydrophobicContact CD2-CB 3.65Å; W434-M508 HydrophobicContact CE3-CB 4.14Å; W434-M508 HydrophobicContact CG-CB 4.09Å; W434-M508 HydrophobicContact CH2-CB 4.09Å; W434-M508 HydrophobicContact CZ2-CB 3.6Å; W434-M508 HydrophobicContact CZ2-CE 4.19Å; W434-M508 HydrophobicContact CZ2-CG 4.07Å; W434-M508 HydrophobicContact CZ3-CB 4.33Å; W434-M508 PolarHBondContact N-O 2.61Å; W434-M508 PolarHBondContact O-N 3.16Å; W434-R510 HydrophobicContact CZ3-CB 4.33Å |
| 435 | I | 93.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 114.1 | 172 | -61.4 | 170.6 | 0 | 0 | 0 | 106.7 | F346 I362 Y364 Y452 V453 A488 L505 V506 Y507 | F346-I435 HydrophobicContact CE1-CD1 4.19Å; F346-I435 HydrophobicContact CE1-CG1 4.47Å; F346-I435 HydrophobicContact CE1-CG2 3.85Å; F346-I435 HydrophobicContact CZ-CG1 4.47Å; F346-I435 HydrophobicContact CZ-CG2 3.98Å; I362-I435 HydrophobicContact CD1-CG2 4.11Å; I362-I435 HydrophobicContact CG2-CD1 4.24Å; Y364-I435 HydrophobicContact CD1-CD1 3.7Å; Y364-I435 HydrophobicContact CE1-CD1 3.39Å; Y364-I435 HydrophobicContact CG-CD1 4.47Å; I435-Y452 VanDerWaalsContact O-CA 3.29Å; I435-Y452 WeakPolarHBondContact O-CA 3.3Å; I435-V453 HydrophobicContact CB-CG2 4.42Å; I435-V453 PolarHBondContact N-O 2.94Å; I435-V453 PolarHBondContact O-N 3.29Å; I435-A488 HydrophobicContact CD1-CB 4.05Å; I435-L505 HydrophobicContact CG2-CB 4.05Å; I435-L505 HydrophobicContact CG2-CD1 4.24Å; I435-L505 HydrophobicContact CG2-CD2 4.16Å; I435-L505 HydrophobicContact CG2-CG 4.39Å; I435-V506 WeakPolarHBondContact CA-O 3.4Å; I435-Y507 HydrophobicContact CD1-CD2 4.16Å; I435-Y507 HydrophobicContact CG1-CD2 3.77Å; I435-Y507 HydrophobicContact CG1-CE2 4.45Å; I435-Y507 HydrophobicContact CG1-CG 4.44Å |
| 436 | A | 93.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 141.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y438 T451 L505 V506 | A436-Y438 HydrophobicContact CB-CD2 4.13Å; A436-Y438 HydrophobicContact CB-CE2 3.53Å; A436-T451 WeakPolarHBondContact CA-O 3.4Å; A436-L505 WeakPolarHBondContact O-CA 3.33Å; A436-V506 PolarHBondContact N-O 2.91Å; A436-V506 PolarHBondContact O-N 2.96Å |
| 437 | L | 92.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 123.9 | 173.4 | -177.7 | 70.9 | 0 | 0 | 0 | 108.9 | L360 I450 T451 I490 L495 L498 F503 L505 F522 | L360-L437 HydrophobicContact CD2-CD1 4.26Å; L437-I450 PolarHBondContact O-N 3.1Å; L437-T451 HydrophobicContact CB-CG2 3.9Å; L437-T451 HydrophobicContact CD2-CG2 3.86Å; L437-T451 PolarHBondContact N-O 3.41Å; L437-I490 HydrophobicContact CB-CD1 3.97Å; L437-L495 HydrophobicContact CD2-CD2 3.69Å; L437-L498 HydrophobicContact CD2-CD1 4.11Å; L437-F503 HydrophobicContact CD1-CB 3.77Å; L437-F503 HydrophobicContact CD1-CD1 4.42Å; L437-F503 HydrophobicContact CD1-CG 4.26Å; L437-F503 HydrophobicContact CG-CD1 4.38Å; L437-L505 HydrophobicContact CB-CD2 4.37Å; L437-L505 HydrophobicContact CD1-CD2 3.77Å; L437-F522 HydrophobicContact CD1-CE1 4.34Å; L437-F522 HydrophobicContact CD1-CZ 3.62Å |
| 438 | Y | 92.2 | Very high | 86 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 154.5 | 176.1 | -70.5 | -103.4 | 0 | 0 | 0 | 110 | A436 F442 L445 D448 F503 C504 V506 | A436-Y438 HydrophobicContact CB-CD2 4.13Å; A436-Y438 HydrophobicContact CB-CE2 3.53Å; Y438-F442 HydrophobicContact CD1-CB 3.92Å; Y438-F442 HydrophobicContact CD1-CD1 4.33Å; Y438-F442 AromaticContact CD1-CD2 3.85Å; Y438-F442 HydrophobicContact CD1-CD2 3.85Å; Y438-F442 HydrophobicContact CD1-CE2 4.43Å; Y438-F442 AromaticContact CD1-CG 3.79Å; Y438-F442 HydrophobicContact CD1-CG 3.79Å; Y438-F442 HydrophobicContact CE1-CD2 4.2Å; Y438-F442 HydrophobicContact CG-CD1 4.37Å; Y438-F442 HydrophobicContact CG-CG 4.27Å; Y438-L445 PolarHBondContact OH-O 2.91Å; Y438-D448 VanDerWaalsContact CD1-C 3.49Å; Y438-D448 HydrophobicContact CD1-CB 4.16Å; Y438-D448 VanDerWaalsContact CD1-O 3.29Å; Y438-D448 WeakPolarHBondContact CD1-O 3.14Å; Y438-F503 CarbonylContact O-C 3.57Å; Y438-F503 VanDerWaalsContact O-CA 3.25Å; Y438-F503 WeakPolarHBondContact O-CA 3.3Å; Y438-F503 WeakPolarHBondContact O-CB 3.48Å; Y438-C504 PolarHBondContact N-O 2.78Å; Y438-C504 PolarHBondContact O-N 3.35Å; Y438-V506 HydrophobicContact CD2-CB 4.02Å; Y438-V506 HydrophobicContact CD2-CG2 3.43Å; Y438-V506 VanDerWaalsContact CD2-CG2 3.43Å; Y438-V506 HydrophobicContact CE2-CB 3.7Å; Y438-V506 HydrophobicContact CE2-CG2 3.5Å; Y438-V506 HydrophobicContact CG-CG2 4.29Å |
| 439 | P | 90.6 | Very high | 87.1 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 139.1 | 157.5 | -16 | 28.7 | 0 | 0 | 0 | 109.2 | L396 L399 E441 F442 D448 I450 | L396-P439 HydrophobicContact CD1-CB 3.7Å; L396-P439 HydrophobicContact CD1-CG 4.02Å; L399-P439 HydrophobicContact CB-CG 4.35Å; L399-P439 HydrophobicContact CD1-CB 3.92Å; L399-P439 HydrophobicContact CD1-CG 3.64Å; P439-E441 PolarHBondContact O-N 3.14Å; P439-F442 WeakPolarHBondContact O-CB 3.39Å; P439-F442 WeakPolarHBondContact O-CD1 3.15Å; P439-F442 PolarHBondContact O-N 3.01Å; P439-D448 WeakPolarHBondContact CD-O 3.21Å; P439-I450 HydrophobicContact CG-CD1 4.08Å; P439-I450 HydrophobicContact CG-CG1 4.46Å |
| 440 | A | 89.2 | Confident | 88.3 | Confident | 17 Ų | 17 | 23 Ų | 23 | 14% | 0.14 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -22 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S502 P521 | A440-S502 WeakPolarHBondContact CB-O 3.41Å; A440-S502 PolarHBondContact N-O 3.33Å; A440-P521 HydrophobicContact CB-CB 3.99Å; A440-P521 HydrophobicContact CB-CG 4.4Å |
| 441 | E | 88.9 | Confident | 89.3 | Confident | 25 Ų | 25 | 23.2 Ų | 23.2 | 12% | 0.117 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 26.1 | 176.3 | -59.8 | -168.5 | 107.3 | 0 | 0 | 113.1 | Y60 R83 Y387 P389 V390 S391 P439 A443 | Y60-E441 HydrophobicContact CE2-CB 4.17Å; Y60-E441 WeakPolarHBondContact CE2-O 3.25Å; R83-E441 VanDerWaalsContact NH2-C 3.33Å; R83-E441 PolarHBondContact NH2-O 3.41Å; Y387-E441 PolarHBondContact OH-OE1 3.07Å; P389-E441 WeakPolarHBondContact CA-OE1 3.47Å; V390-E441 WeakPolarHBondContact CB-OE2 3.3Å; V390-E441 PolarHBondContact N-OE1 2.79Å; V390-E441 PolarHBondContact N-OE2 2.87Å; S391-E441 VanDerWaalsContact CB-OE2 3.23Å; S391-E441 WeakPolarHBondContact CB-OE2 3.49Å; S391-E441 PolarHBondContact N-OE2 3.03Å; S391-E441 PolarHBondContact OG-OE2 2.97Å; P439-E441 PolarHBondContact O-N 3.14Å; E441-A443 PolarHBondContact O-N 2.7Å |
| 442 | F | 92.7 | Very high | 90.4 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | trans | -46.4 | 136.9 | 175.9 | 73.7 | -81.6 | 0 | 0 | 0 | 113 | V65 R83 L86 Y438 P439 L445 D448 Y518 | V65-F442 HydrophobicContact CG1-CD2 3.9Å; V65-F442 HydrophobicContact CG1-CE2 3.57Å; V65-F442 HydrophobicContact CG1-CZ 4.4Å; V65-F442 WeakPolarHBondContact CG2-O 3.31Å; R83-F442 VanDerWaalsContact CZ-O 3.24Å; R83-F442 PolarHBondContact NH1-O 2.81Å; R83-F442 PolarHBondContact NH2-O 3.29Å; L86-F442 HydrophobicContact CD1-CE1 4.12Å; L86-F442 HydrophobicContact CD1-CE2 4.46Å; L86-F442 HydrophobicContact CD1-CZ 3.66Å; Y438-F442 HydrophobicContact CD1-CB 3.92Å; Y438-F442 HydrophobicContact CD1-CD1 4.33Å; Y438-F442 AromaticContact CD1-CD2 3.85Å; Y438-F442 HydrophobicContact CD1-CD2 3.85Å; Y438-F442 HydrophobicContact CD1-CE2 4.43Å; Y438-F442 AromaticContact CD1-CG 3.79Å; Y438-F442 HydrophobicContact CD1-CG 3.79Å; Y438-F442 HydrophobicContact CE1-CD2 4.2Å; Y438-F442 HydrophobicContact CG-CD1 4.37Å; Y438-F442 HydrophobicContact CG-CG 4.27Å; P439-F442 WeakPolarHBondContact O-CB 3.39Å; P439-F442 WeakPolarHBondContact O-CD1 3.15Å; P439-F442 PolarHBondContact O-N 3.01Å; F442-L445 HydrophobicContact CE2-CB 4.15Å; F442-L445 HydrophobicContact CE2-CD1 3.79Å; F442-L445 HydrophobicContact CZ-CD1 4.23Å; F442-D448 HydrophobicContact CB-CB 3.78Å; F442-Y518 HydrophobicContact CZ-CE1 4.16Å | ||
| 443 | A | 94.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 2% | 0.017 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -99.1 | -18.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | L56 Y60 V65 L66 F393 L396 E441 D448 | L56-A443 HydrophobicContact CD2-CB 3.95Å; L56-A443 VanDerWaalsContact CD2-O 3.31Å; L56-A443 WeakPolarHBondContact CD2-O 3.43Å; Y60-A443 HydrophobicContact CD2-CB 3.8Å; Y60-A443 HydrophobicContact CG-CB 4.2Å; V65-A443 CarbonylContact C-O 3.58Å; V65-A443 VanDerWaalsContact CA-O 3.32Å; V65-A443 WeakPolarHBondContact CA-O 3.34Å; L66-A443 PolarHBondContact N-O 3.47Å; F393-A443 HydrophobicContact CD2-CB 4.49Å; F393-A443 HydrophobicContact CE2-CB 3.94Å; L396-A443 HydrophobicContact CD2-CB 3.63Å; E441-A443 PolarHBondContact O-N 2.7Å; A443-D448 WeakPolarHBondContact CA-OD2 3.06Å; A443-D448 PolarHBondContact N-OD2 3.04Å |
| 444 | D | 94.3 | Very high | 91 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.011 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -136.3 | 109 | -173.1 | 175.2 | 5.8 | 0 | 0 | 0 | 111.8 | R52 L56 L66 E446 K447 D448 | R52-D444 IonicContact CZ-OD1 3.8Å; R52-D444 IonicContact CZ-OD2 2.84Å; R52-D444 IonicContact NH1-OD2 3.8Å; R52-D444 PolarHBondContact NH1-OD2 2.94Å; R52-D444 IonicContact NH2-OD1 3.88Å; R52-D444 PolarHBondContact NH2-OD1 3.08Å; R52-D444 IonicContact NH2-OD2 2.96Å; R52-D444 PolarHBondContact NH2-OD2 3.49Å; L56-D444 HydrophobicContact CD1-CB 4.37Å; L56-D444 HydrophobicContact CD2-CB 4.06Å; L66-D444 HydrophobicContact CB-CB 4.49Å; D444-E446 PolarHBondContact O-N 2.9Å; D444-E446 PolarHBondContact OD1-N 2.84Å; D444-K447 PolarHBondContact OD1-N 2.78Å; D444-K447 VanDerWaalsContact OD2-CB 3.27Å; D444-K447 WeakPolarHBondContact OD2-CB 3.41Å; D444-K447 WeakPolarHBondContact OD2-CG 3.4Å; D444-D448 PolarHBondContact N-OD2 3Å; D444-D448 WeakPolarHBondContact O-CB 3.44Å; D444-D448 PolarHBondContact O-N 3.29Å |
| 445 | L | 93.9 | Very high | 90.6 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -17.1 | -179.2 | -174.9 | 62.1 | 0 | 0 | 0 | 113.2 | V65 L66 I67 I92 Y438 F442 P515 | V65-L445 HydrophobicContact CG1-CB 4.41Å; L66-L445 WeakPolarHBondContact O-CB 3.4Å; L66-L445 PolarHBondContact O-N 3.01Å; I67-L445 HydrophobicContact CB-CD2 4.3Å; I67-L445 HydrophobicContact CG2-CD2 4.31Å; I92-L445 HydrophobicContact CD1-CD2 3.93Å; Y438-L445 PolarHBondContact OH-O 2.91Å; F442-L445 HydrophobicContact CE2-CB 4.15Å; F442-L445 HydrophobicContact CE2-CD1 3.79Å; F442-L445 HydrophobicContact CZ-CD1 4.23Å; L445-P515 HydrophobicContact CD1-CG 3.94Å; L445-P515 HydrophobicContact CD2-CG 3.76Å; L445-P515 HydrophobicContact CG-CG 4.39Å |
| 446 | E | 89.4 | Confident | 89.7 | Confident | 63 Ų | 63 | 23.6 Ų | 23.6 | 29% | 0.294 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -28.4 | -177.4 | -62.5 | -170.1 | 110.7 | 0 | 0 | 113.8 | K68 S69 D444 | K68-E446 WeakPolarHBondContact CD-OE1 3.1Å; K68-E446 IonicContact NZ-OE1 2.91Å; K68-E446 PolarHBondContact NZ-OE1 3.11Å; S69-E446 WeakPolarHBondContact CA-OE2 3.33Å; S69-E446 WeakPolarHBondContact CB-OE2 3.19Å; S69-E446 PolarHBondContact N-OE2 2.84Å; S69-E446 PolarHBondContact OG-OE2 2.91Å; D444-E446 PolarHBondContact O-N 2.9Å; D444-E446 PolarHBondContact OD1-N 2.84Å |
| 447 | K | 89.5 | Confident | 88.3 | Confident | 82 Ų | 82 | 26.8 Ų | 26.8 | 36% | 0.357 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -18 | -177 | -53.5 | -175.2 | -172.4 | 166 | 0 | 116 | D49 R52 D444 Y449 | D49-K447 IonicContact OD1-NZ 3.73Å; D49-K447 PolarHBondContact OD1-NZ 2.78Å; D49-K447 IonicContact OD2-NZ 2.73Å; D49-K447 PolarHBondContact OD2-NZ 3Å; R52-K447 VanDerWaalsContact CZ-CE 3.46Å; D444-K447 PolarHBondContact OD1-N 2.78Å; D444-K447 VanDerWaalsContact OD2-CB 3.27Å; D444-K447 WeakPolarHBondContact OD2-CB 3.41Å; D444-K447 WeakPolarHBondContact OD2-CG 3.4Å; K447-Y449 PolarHBondContact O-N 2.73Å |
| 448 | D | 90.2 | Very high | 86.7 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | trans | -82.8 | 16.5 | -175 | -67.6 | -8.4 | 0 | 0 | 0 | 115 | N400 Y438 P439 F442 A443 D444 | N400-D448 WeakPolarHBondContact ND2-CB 3.3Å; N400-D448 PolarHBondContact ND2-OD1 2.84Å; Y438-D448 VanDerWaalsContact CD1-C 3.49Å; Y438-D448 HydrophobicContact CD1-CB 4.16Å; Y438-D448 VanDerWaalsContact CD1-O 3.29Å; Y438-D448 WeakPolarHBondContact CD1-O 3.14Å; P439-D448 WeakPolarHBondContact CD-O 3.21Å; F442-D448 HydrophobicContact CB-CB 3.78Å; A443-D448 WeakPolarHBondContact CA-OD2 3.06Å; A443-D448 PolarHBondContact N-OD2 3.04Å; D444-D448 PolarHBondContact N-OD2 3Å; D444-D448 WeakPolarHBondContact O-CB 3.44Å; D444-D448 PolarHBondContact O-N 3.29Å | ||
| 449 | Y | 88.7 | Confident | 85.1 | Confident | 70 Ų | 70 | 34.8 Ų | 34.8 | 28% | 0.275 | 18% | 0.181 | S | C | . | . | trans | -81.6 | 127.9 | 172.7 | 72.1 | -86.5 | 0 | 0 | 0 | 110.1 | K447 Y452 | K447-Y449 PolarHBondContact O-N 2.73Å; Y449-Y452 HydrophobicContact CD2-CD1 4.42Å; Y449-Y452 HydrophobicContact CE2-CD1 4.04Å | ||
| 450 | I | 87.4 | Confident | 83.4 | Confident | 28 Ų | 28 | 36.3 Ų | 36.3 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | trans | -79 | -42.9 | -179 | -59 | 158.5 | 0 | 0 | 0 | 110 | L437 P439 L498 F503 | L437-I450 PolarHBondContact O-N 3.1Å; P439-I450 HydrophobicContact CG-CD1 4.08Å; P439-I450 HydrophobicContact CG-CG1 4.46Å; I450-L498 HydrophobicContact CD1-CD1 4.34Å; I450-L498 HydrophobicContact CD1-CD2 4.38Å; I450-L498 HydrophobicContact CG2-CD1 3.95Å; I450-L498 HydrophobicContact CG2-CD2 4.16Å; I450-F503 HydrophobicContact CD1-CD1 3.8Å; I450-F503 HydrophobicContact CD1-CE1 3.56Å | ||
| 451 | T | 89.2 | Confident | 81.6 | Confident | 10 Ų | 10 | 42 Ų | 42 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 157.9 | -178.6 | 169.8 | 0 | 0 | 0 | 0 | 109.8 | A436 L437 I490 R494 | A436-T451 WeakPolarHBondContact CA-O 3.4Å; L437-T451 HydrophobicContact CB-CG2 3.9Å; L437-T451 HydrophobicContact CD2-CG2 3.86Å; L437-T451 PolarHBondContact N-O 3.41Å; T451-I490 HydrophobicContact CG2-CD1 4.47Å; T451-I490 HydrophobicContact CG2-CG2 4.12Å; T451-R494 HydrophobicContact CG2-CB 4.32Å; T451-R494 WeakPolarHBondContact OG1-CD 3.46Å; T451-R494 PolarHBondContact OG1-NH1 2.86Å |
| 452 | Y | 90.9 | Very high | 79.6 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 12% | 0.122 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 160.5 | 170 | 75.2 | -87.6 | 0 | 0 | 0 | 112.4 | S405 S406 W434 I435 Y449 Y454 R494 | S405-Y452 WeakPolarHBondContact CA-OH 3.47Å; S405-Y452 WeakPolarHBondContact CB-OH 2.97Å; S406-Y452 PolarHBondContact N-OH 2.76Å; S406-Y452 PolarHBondContact O-OH 3.05Å; W434-Y452 HydrophobicContact CB-CD2 3.83Å; W434-Y452 HydrophobicContact CG-CD2 4.14Å; W434-Y452 HydrophobicContact CG-CG 4.49Å; I435-Y452 VanDerWaalsContact O-CA 3.29Å; I435-Y452 WeakPolarHBondContact O-CA 3.3Å; Y449-Y452 HydrophobicContact CD2-CD1 4.42Å; Y449-Y452 HydrophobicContact CE2-CD1 4.04Å; Y452-Y454 HydrophobicContact CE2-CE1 4.44Å; Y452-Y454 AromaticContact CE2-CE2 3.87Å; Y452-Y454 HydrophobicContact CE2-CE2 3.87Å; Y452-Y454 AromaticContact CE2-CZ 3.77Å; Y452-R494 PolarHBondContact O-NH1 2.76Å |
| 453 | V | 90.6 | Very high | 77 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 16% | 0.158 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 154.4 | 168.2 | -70 | 0 | 0 | 0 | 0 | 110 | W434 I435 A488 I490 | W434-V453 CarbonylContact C-O 3.57Å; W434-V453 WeakPolarHBondContact CA-O 3.21Å; W434-V453 WeakPolarHBondContact CB-O 3.46Å; I435-V453 HydrophobicContact CB-CG2 4.42Å; I435-V453 PolarHBondContact N-O 2.94Å; I435-V453 PolarHBondContact O-N 3.29Å; V453-A488 HydrophobicContact CG2-CB 4.24Å; V453-I490 HydrophobicContact CB-CG1 4.44Å; V453-I490 HydrophobicContact CG1-CG1 3.85Å; V453-I490 HydrophobicContact CG2-CD1 4.46Å; V453-I490 HydrophobicContact CG2-CG1 3.75Å |
| 454 | Y | 89 | Confident | 74.5 | Confident | 78 Ų | 78 | 59.2 Ų | 59.2 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 136.8 | 175.5 | -80.5 | -66.1 | 0 | 0 | 0 | 111.4 | S406 S408 S431 F432 D433 W434 Y452 S456 | S406-Y454 WeakPolarHBondContact O-CE2 3.31Å; S406-Y454 PolarHBondContact O-OH 3.17Å; S408-Y454 VanDerWaalsContact OG-CD1 3.31Å; S408-Y454 WeakPolarHBondContact OG-CD1 3.42Å; S408-Y454 VanDerWaalsContact OG-CE1 3.29Å; S408-Y454 WeakPolarHBondContact OG-CE1 3.46Å; S431-Y454 WeakPolarHBondContact O-CD1 3Å; F432-Y454 HydrophobicContact CB-CE1 4.44Å; F432-Y454 WeakPolarHBondContact O-CE1 3.3Å; D433-Y454 VanDerWaalsContact O-CD1 3.31Å; D433-Y454 WeakPolarHBondContact O-CD1 3.43Å; W434-Y454 HydrophobicContact CB-CD1 4.42Å; W434-Y454 HydrophobicContact CB-CE1 4.36Å; Y452-Y454 HydrophobicContact CE2-CE1 4.44Å; Y452-Y454 AromaticContact CE2-CE2 3.87Å; Y452-Y454 HydrophobicContact CE2-CE2 3.87Å; Y452-Y454 AromaticContact CE2-CZ 3.77Å; Y454-S456 PolarHBondContact O-N 2.73Å |
| 455 | A | 84.3 | Confident | 71.6 | Confident | 5 Ų | 5 | 70 Ų | 70 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 130.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | D433 Y507 | D433-A455 HydrophobicContact CB-CB 3.91Å; D433-A455 VanDerWaalsContact O-CB 3.31Å; D433-A455 WeakPolarHBondContact O-CB 3.26Å; D433-A455 PolarHBondContact O-N 2.85Å; A455-Y507 HydrophobicContact CB-CD2 4.4Å; A455-Y507 HydrophobicContact CB-CE2 3.53Å |
| 456 | S | 73.6 | Confident | 69 | Low | 31 Ų | 31 | 79 Ų | 79 | 22% | 0.217 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 135.3 | 177.4 | -179.7 | 0 | 0 | 0 | 0 | 110 | Y364 Y454 N458 Y486 K487 | Y364-S456 PolarHBondContact OH-N 3.04Å; Y364-S456 PolarHBondContact OH-O 3.04Å; Y364-S456 VanDerWaalsContact OH-O 3.06Å; Y454-S456 PolarHBondContact O-N 2.73Å; S456-N458 VanDerWaalsContact C-N 3.29Å; S456-N458 WeakPolarHBondContact OG-CB 3.41Å; S456-N458 PolarHBondContact OG-N 2.89Å; S456-Y486 WeakPolarHBondContact O-CD1 3.44Å; S456-K487 WeakPolarHBondContact CB-O 3.31Å |
| 457 | S | 62.6 | Low | 66.4 | Low | 67 Ų | 67 | 83.3 Ų | 83.3 | 47% | 0.469 | 40% | 0.402 | S | S | . | . | trans | -82.1 | -8.4 | 165.1 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | V459 | S457-V459 PolarHBondContact O-N 3.39Š| ||
| 458 | N | 58.9 | Low | 63.8 | Low | 122 Ų | 122 | 85 Ų | 85 | 65% | 0.652 | 42% | 0.423 | S | S | * | . | trans | -88.6 | 103.4 | -173 | -63.4 | -13.7 | 0 | 0 | 0 | 110.4 | S456 S460 | S456-N458 VanDerWaalsContact C-N 3.29Å; S456-N458 WeakPolarHBondContact OG-CB 3.41Å; S456-N458 PolarHBondContact OG-N 2.89Å; N458-S460 PolarHBondContact O-N 3.28Å | ||
| 459 | V | 58.4 | Low | 61.3 | Low | 49 Ų | 49 | 91.4 Ų | 91.4 | 30% | 0.297 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 126.6 | 172.8 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | S457 Q461 E484 Y486 | S457-V459 PolarHBondContact O-N 3.39Å; V459-Q461 HydrophobicContact CG1-CG 3.95Å; V459-E484 HydrophobicContact CG1-CB 3.67Å; V459-E484 HydrophobicContact CG1-CG 3.74Å; V459-E484 HydrophobicContact CG2-CB 4.19Å; V459-E484 HydrophobicContact CG2-CG 4.43Å; V459-Y486 HydrophobicContact CG2-CD1 4.27Å; V459-Y486 HydrophobicContact CG2-CE1 3.52Å; V459-Y486 HydrophobicContact CG2-CE2 4.27Å; V459-Y486 WeakPolarHBondContact CG2-OH 3.49Å |
| 460 | S | 56.6 | Low | 58.7 | Low | 35 Ų | 35 | 93.4 Ų | 93.4 | 25% | 0.245 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 118 | 160.9 | 70.9 | 0 | 0 | 0 | 0 | 109.9 | N458 F485 | N458-S460 PolarHBondContact O-N 3.28Å; S460-F485 WeakPolarHBondContact CA-O 3.34Å; S460-F485 WeakPolarHBondContact CB-O 3.45Å; S460-F485 PolarHBondContact N-O 3.31Å; S460-F485 PolarHBondContact O-N 3.46Å; S460-F485 PolarHBondContact OG-O 3.34Å |
| 461 | Q | 50 | Low | 56.4 | Low | 138 Ų | 138 | 98 Ų | 98 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 117.1 | 178.4 | -65.9 | -174.2 | -2.7 | 0 | 0 | 110.5 | V459 | V459-Q461 HydrophobicContact CG1-CG 3.95Å |
| 462 | T | 48.3 | Very low | 53.6 | Low | 68 Ų | 68 | 101.7 Ų | 101.7 | 42% | 0.417 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.6 | 135.7 | 171.8 | 56.4 | 0 | 0 | 0 | 0 | 111.5 | H464 F485 | T462-H464 PolarHBondContact O-N 3.43Å; T462-F485 VanDerWaalsContact OG1-CD2 3.29Å; T462-F485 WeakPolarHBondContact OG1-CD2 3.45Å; T462-F485 WeakPolarHBondContact OG1-CE2 3.31Å |
| 463 | K | 36.2 | Very low | 50.8 | Low | 178 Ų | 178 | 107.5 Ų | 107.5 | 77% | 0.774 | 59% | 0.585 | S | S | * | * | trans | -84.6 | 92.2 | -177.7 | -72.9 | 179.7 | 178.8 | 174.4 | 0 | 111.1 | R465 F482 | K463-R465 PolarHBondContact O-N 3.36Å; K463-R465 VanDerWaalsContact O-N 3.12Å; K463-F482 HydrophobicContact CD-CE1 4.49Å; K463-F482 HydrophobicContact CG-CD1 4.47Å; K463-F482 HydrophobicContact CG-CE1 3.73Å; K463-F482 HydrophobicContact CG-CZ 4.37Å | ||
| 464 | H | 41.9 | Very low | 48.1 | Very low | 146 Ų | 146 | 114.1 Ų | 114.1 | 68% | 0.676 | 62% | 0.619 | S | S | * | * | trans | -72.7 | 101.9 | 166.9 | -99.5 | -70.5 | 0 | 0 | 0 | 111.4 | T462 K466 | T462-H464 PolarHBondContact O-N 3.43Å; H464-K466 PolarHBondContact O-N 3.38Å | ||
| 465 | R | 33.3 | Very low | 45.7 | Very low | 227 Ų | 227 | 118 Ų | 118 | 86% | 0.857 | 64% | 0.64 | S | S | * | * | trans | -78.3 | 106.1 | 172.6 | -159.2 | 179.6 | -166 | -178.4 | 3.2 | 108.8 | K463 N467 | K463-R465 PolarHBondContact O-N 3.36Å; K463-R465 VanDerWaalsContact O-N 3.12Å; R465-N467 PolarHBondContact O-N 2.71Å | ||
| 466 | K | 38.9 | Very low | 43.4 | Very low | 197 Ų | 197 | 123 Ų | 123 | 86% | 0.857 | 67% | 0.672 | S | S | * | * | trans | -67.3 | 119.9 | 171.5 | -76.5 | -173.6 | 175.2 | -177.6 | 0 | 109.5 | H464 S468 | H464-K466 PolarHBondContact O-N 3.38Å; K466-S468 PolarHBondContact O-N 3.31Å | ||
| 467 | N | 35 | Very low | 41.8 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 83% | 0.829 | 70% | 0.701 | S | S | * | * | trans | -72 | 114.1 | 165 | -75.6 | -9.5 | 0 | 0 | 0 | 108.5 | R465 | R465-N467 PolarHBondContact O-N 2.71Š| ||
| 468 | S | 34.9 | Very low | 40.7 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 124.5 | 177.5 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | K466 | K466-S468 PolarHBondContact O-N 3.31Š|
| 469 | V | 37.6 | Very low | 39.8 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 145.9 | 156.6 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | ||
| 470 | S | 34.3 | Very low | 38.9 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 137.4 | -162.5 | 54.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 471 | S | 38.9 | Very low | 38.5 | Very low | 125 Ų | 125 | 144 Ų | 144 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | -155.2 | 166.2 | 127.3 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 472 | A | 31.4 | Very low | 38.3 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | trans | -92.7 | 175.3 | -154.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 473 | L | 32.8 | Very low | 38.9 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | 87.6 | 116.6 | 161.5 | -63.4 | 137.7 | 0 | 0 | 0 | 119 | ||||
| 474 | L | 33.9 | Very low | 40.5 | Very low | 164 Ų | 164 | 139 Ų | 139 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | trans | 58.6 | 71.3 | 144.2 | -63.2 | 165.5 | 0 | 0 | 0 | 118.3 | ||||
| 475 | Q | 36.9 | Very low | 42.4 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | trans | -136.8 | 147.3 | 155 | -69 | -169.5 | -3.3 | 0 | 0 | 111.5 | ||||
| 476 | P | 37.4 | Very low | 45 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 71% | 0.714 | 68% | 0.681 | S | S | * | * | trans | -64.6 | 163.6 | 173.2 | 28.3 | -35 | 0 | 0 | 0 | 111.7 | N478 | P476-N478 PolarHBondContact O-N 3.13Å; P476-N478 VanDerWaalsContact O-N 3.12Å | ||
| 477 | P | 38.7 | Very low | 47.4 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 83% | 0.825 | 66% | 0.663 | S | S | * | * | trans | -59 | 119 | -171.2 | 22.2 | -34.1 | 0 | 0 | 0 | 112.5 | K479 | P477-K479 PolarHBondContact O-N 3.3Š| ||
| 478 | N | 39.7 | Very low | 49.9 | Very low | 140 Ų | 140 | 112.8 Ų | 112.8 | 75% | 0.749 | 63% | 0.629 | S | S | * | * | trans | -58.2 | 102.3 | 176.6 | -96.5 | -71.2 | 0 | 0 | 0 | 110.8 | P476 A480 | P476-N478 PolarHBondContact O-N 3.13Å; P476-N478 VanDerWaalsContact O-N 3.12Å; N478-A480 PolarHBondContact O-N 3.23Å; N478-A480 VanDerWaalsContact O-N 3.12Å | ||
| 479 | K | 41.3 | Very low | 52.6 | Low | 196 Ų | 196 | 112.5 Ų | 112.5 | 85% | 0.852 | 61% | 0.61 | S | S | * | * | trans | -57 | 115.9 | 156.4 | -76.9 | -174.6 | 178 | 179.4 | 0 | 106.9 | P477 K481 | P477-K479 PolarHBondContact O-N 3.3Å; K479-K481 PolarHBondContact O-N 3.14Å | ||
| 480 | A | 39 | Very low | 55 | Low | 78 Ų | 78 | 105.7 Ų | 105.7 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | trans | -60.6 | 109.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | N478 F482 | N478-A480 PolarHBondContact O-N 3.23Å; N478-A480 VanDerWaalsContact O-N 3.12Å; A480-F482 WeakPolarHBondContact O-CD2 3.15Å; A480-F482 PolarHBondContact O-N 2.96Å | ||
| 481 | K | 47.1 | Very low | 57.6 | Low | 202 Ų | 202 | 104.5 Ų | 104.5 | 88% | 0.878 | 55% | 0.551 | S | S | * | * | trans | -63.1 | 105.9 | 170.1 | -73.9 | -163.5 | 174.8 | -165.6 | 0 | 107.6 | K479 | K479-K481 PolarHBondContact O-N 3.14Š| ||
| 482 | F | 47.7 | Very low | 59.8 | Low | 110 Ų | 110 | 99.6 Ų | 99.6 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -60 | 134.6 | 164 | -70.5 | -101.4 | 0 | 0 | 0 | 107.4 | K463 A480 | K463-F482 HydrophobicContact CD-CE1 4.49Å; K463-F482 HydrophobicContact CG-CD1 4.47Å; K463-F482 HydrophobicContact CG-CE1 3.73Å; K463-F482 HydrophobicContact CG-CZ 4.37Å; A480-F482 WeakPolarHBondContact O-CD2 3.15Å; A480-F482 PolarHBondContact O-N 2.96Å |
| 483 | Q | 60.4 | Low | 62.4 | Low | 85 Ų | 85 | 98.7 Ų | 98.7 | 40% | 0.397 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.8 | 166.6 | -73.6 | 179.1 | -83.8 | 0 | 0 | 107.2 | F485 | Q483-F485 HydrophobicContact CB-CE1 3.98Å; Q483-F485 HydrophobicContact CB-CE2 3.75Å; Q483-F485 HydrophobicContact CB-CZ 3.43Å; Q483-F485 VanDerWaalsContact CB-CZ 3.43Å; Q483-F485 HydrophobicContact CG-CZ 4.42Å; Q483-F485 WeakPolarHBondContact O-CD2 3.47Å |
| 484 | E | 69.9 | Low | 64.8 | Low | 85 Ų | 85 | 97.5 Ų | 97.5 | 40% | 0.397 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.1 | 178.3 | -62.4 | -160.6 | 145.1 | 0 | 0 | 109.2 | V459 Y486 | V459-E484 HydrophobicContact CG1-CB 3.67Å; V459-E484 HydrophobicContact CG1-CG 3.74Å; V459-E484 HydrophobicContact CG2-CB 4.19Å; V459-E484 HydrophobicContact CG2-CG 4.43Å; E484-Y486 HydrophobicContact CB-CE2 4.14Å; E484-Y486 PolarHBondContact OE2-OH 2.9Å |
| 485 | F | 81.2 | Confident | 67.1 | Low | 25 Ų | 25 | 89.7 Ų | 89.7 | 11% | 0.11 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.4 | 178.8 | -59 | -64.5 | 0 | 0 | 0 | 109.5 | I347 Q365 S460 T462 Q483 | I347-F485 HydrophobicContact CD1-CD1 3.37Å; I347-F485 HydrophobicContact CD1-CE1 3.43Å; I347-F485 VanDerWaalsContact CD1-CE1 3.43Å; Q365-F485 HydrophobicContact CB-CD1 4.36Å; Q365-F485 HydrophobicContact CB-CE1 4.49Å; S460-F485 WeakPolarHBondContact CA-O 3.34Å; S460-F485 WeakPolarHBondContact CB-O 3.45Å; S460-F485 PolarHBondContact N-O 3.31Å; S460-F485 PolarHBondContact O-N 3.46Å; S460-F485 PolarHBondContact OG-O 3.34Å; T462-F485 VanDerWaalsContact OG1-CD2 3.29Å; T462-F485 WeakPolarHBondContact OG1-CD2 3.45Å; T462-F485 WeakPolarHBondContact OG1-CE2 3.31Å; Q483-F485 HydrophobicContact CB-CE1 3.98Å; Q483-F485 HydrophobicContact CB-CE2 3.75Å; Q483-F485 HydrophobicContact CB-CZ 3.43Å; Q483-F485 VanDerWaalsContact CB-CZ 3.43Å; Q483-F485 HydrophobicContact CG-CZ 4.42Å; Q483-F485 WeakPolarHBondContact O-CD2 3.47Å |
| 486 | Y | 88.1 | Confident | 68.7 | Low | 23 Ų | 23 | 87.1 Ų | 87.1 | 9% | 0.09 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 148.2 | 176 | -61.7 | -94.8 | 0 | 0 | 0 | 109.1 | S363 Y364 V366 S456 V459 E484 | S363-Y486 WeakPolarHBondContact CA-O 3.48Å; Y364-Y486 HydrophobicContact CD2-CD2 4.46Å; Y364-Y486 HydrophobicContact CD2-CG 4.42Å; Y364-Y486 HydrophobicContact CE2-CD2 4.21Å; Y364-Y486 AromaticContact CE2-CG 3.84Å; Y364-Y486 HydrophobicContact CE2-CG 3.84Å; Y364-Y486 PolarHBondContact N-O 3.25Å; Y364-Y486 PolarHBondContact O-N 2.7Å; V366-Y486 HydrophobicContact CB-CE2 4.43Å; V366-Y486 HydrophobicContact CG2-CD2 4.24Å; V366-Y486 HydrophobicContact CG2-CE2 3.92Å; S456-Y486 WeakPolarHBondContact O-CD1 3.44Å; V459-Y486 HydrophobicContact CG2-CD1 4.27Å; V459-Y486 HydrophobicContact CG2-CE1 3.52Å; V459-Y486 HydrophobicContact CG2-CE2 4.27Å; V459-Y486 WeakPolarHBondContact CG2-OH 3.49Å; E484-Y486 HydrophobicContact CB-CE2 4.14Å; E484-Y486 PolarHBondContact OE2-OH 2.9Å |
| 487 | K | 88.9 | Confident | 70.3 | Confident | 114 Ų | 114 | 88.7 Ų | 88.7 | 50% | 0.496 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.1 | -177.8 | -66.3 | -165 | 171.5 | -157 | 0 | 112.2 | I362 S456 | I362-K487 CarbonylContact O-C 3.48Å; I362-K487 VanDerWaalsContact O-CA 3.3Å; I362-K487 WeakPolarHBondContact O-CA 3.42Å; S456-K487 WeakPolarHBondContact CB-O 3.31Å |
| 488 | A | 88.6 | Confident | 71.9 | Confident | 12 Ų | 12 | 83.2 Ų | 83.2 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 166.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | I362 Y364 I435 V453 | I362-A488 WeakPolarHBondContact CA-O 3.46Å; I362-A488 HydrophobicContact CB-CB 4.33Å; I362-A488 WeakPolarHBondContact CB-O 3.48Å; I362-A488 PolarHBondContact N-O 3.22Å; I362-A488 PolarHBondContact O-N 2.85Å; Y364-A488 HydrophobicContact CE1-CB 4.41Å; I435-A488 HydrophobicContact CD1-CB 4.05Å; V453-A488 HydrophobicContact CG2-CB 4.24Å |
| 489 | R | 90 | Very high | 73.3 | Confident | 110 Ų | 110 | 79.4 Ų | 79.4 | 42% | 0.415 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 124.7 | -177.7 | -175.4 | -174.3 | 82.9 | -177.2 | 5.1 | 110.9 | N359 L360 E361 E491 | N359-R489 HydrophobicContact CB-CG 3.71Å; L360-R489 WeakPolarHBondContact O-CA 3.47Å; E361-R489 WeakPolarHBondContact OE1-CD 3.44Å; E361-R489 WeakPolarHBondContact OE1-CG 3.27Å; R489-E491 IonicContact CZ-OE1 3.93Å; R489-E491 IonicContact NH2-OE1 3.5Å; R489-E491 PolarHBondContact NH2-OE1 3.43Å |
| 490 | I | 89.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 127.9 | 165.6 | -58.9 | 176.4 | 0 | 0 | 0 | 107.9 | N359 L360 I362 L437 T451 V453 R494 L495 L505 | N359-I490 CarbonylContact C-O 3.49Å; N359-I490 WeakPolarHBondContact CA-O 3.31Å; L360-I490 HydrophobicContact CB-CB 4.28Å; L360-I490 HydrophobicContact CD2-CD1 4.4Å; L360-I490 PolarHBondContact N-O 3.4Å; L360-I490 PolarHBondContact O-N 3.37Å; I362-I490 HydrophobicContact CD1-CD1 4.05Å; I362-I490 HydrophobicContact CD1-CG1 3.93Å; L437-I490 HydrophobicContact CB-CD1 3.97Å; T451-I490 HydrophobicContact CG2-CD1 4.47Å; T451-I490 HydrophobicContact CG2-CG2 4.12Å; V453-I490 HydrophobicContact CB-CG1 4.44Å; V453-I490 HydrophobicContact CG1-CG1 3.85Å; V453-I490 HydrophobicContact CG2-CD1 4.46Å; V453-I490 HydrophobicContact CG2-CG1 3.75Å; I490-R494 HydrophobicContact CG2-CB 4.23Å; I490-L495 HydrophobicContact CG2-CD2 3.99Å; I490-L495 HydrophobicContact CG2-CG 4.37Å; I490-L505 HydrophobicContact CD1-CD2 4.33Å |
| 491 | E | 87.7 | Confident | 76.4 | Confident | 88 Ų | 88 | 71.9 Ų | 71.9 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | trans | -75.6 | 143.8 | -176.8 | -55.5 | -161.6 | 141 | 0 | 0 | 111.9 | N359 R489 S493 R494 | N359-E491 WeakPolarHBondContact OD1-CA 3.39Å; R489-E491 IonicContact CZ-OE1 3.93Å; R489-E491 IonicContact NH2-OE1 3.5Å; R489-E491 PolarHBondContact NH2-OE1 3.43Å; E491-S493 WeakPolarHBondContact CB-OG 3.47Å; E491-S493 PolarHBondContact O-N 2.91Å; E491-S493 VanDerWaalsContact O-N 3.09Å; E491-R494 PolarHBondContact O-N 2.58Å | ||
| 492 | S | 86.3 | Confident | 78.3 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -59.7 | -24.1 | -179.4 | 65.1 | 0 | 0 | 0 | 0 | 113.6 | F356 N357 T358 N359 R494 L495 K496 | F356-S492 WeakPolarHBondContact O-CB 3.48Å; N357-S492 VanDerWaalsContact C-CB 3.45Å; N357-S492 WeakPolarHBondContact O-CB 3.05Å; N357-S492 PolarHBondContact O-OG 2.89Å; N357-S492 VanDerWaalsContact O-OG 3.06Å; T358-S492 WeakPolarHBondContact O-CB 3.4Å; N359-S492 PolarHBondContact OD1-N 2.73Å; S492-R494 PolarHBondContact O-N 2.84Å; S492-R494 VanDerWaalsContact O-N 3.1Å; S492-L495 PolarHBondContact O-N 2.93Å; S492-K496 WeakPolarHBondContact O-CG 3.33Å; S492-K496 PolarHBondContact O-N 3.35Å |
| 493 | S | 85.5 | Confident | 80.2 | Confident | 68 Ų | 68 | 59.4 Ų | 59.4 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -52.5 | -25.9 | 169.4 | 53.5 | 0 | 0 | 0 | 0 | 114 | E491 | E491-S493 WeakPolarHBondContact CB-OG 3.47Å; E491-S493 PolarHBondContact O-N 2.91Å; E491-S493 VanDerWaalsContact O-N 3.09Å |
| 494 | R | 83.2 | Confident | 81.8 | Confident | 128 Ų | 128 | 55.8 Ų | 55.8 | 48% | 0.483 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -99.8 | 4.8 | 177.3 | -54.3 | -165.7 | -176.3 | -176 | 1.9 | 114.2 | T451 Y452 I490 E491 S492 | T451-R494 HydrophobicContact CG2-CB 4.32Å; T451-R494 WeakPolarHBondContact OG1-CD 3.46Å; T451-R494 PolarHBondContact OG1-NH1 2.86Å; Y452-R494 PolarHBondContact O-NH1 2.76Å; I490-R494 HydrophobicContact CG2-CB 4.23Å; E491-R494 PolarHBondContact O-N 2.58Å; S492-R494 PolarHBondContact O-N 2.84Å; S492-R494 VanDerWaalsContact O-N 3.1Å |
| 495 | L | 82.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -12.2 | -175.2 | -54.8 | -179.5 | 0 | 0 | 0 | 113.5 | F356 L360 L437 I490 S492 D497 L498 L524 | F356-L495 HydrophobicContact CB-CB 4.47Å; L360-L495 HydrophobicContact CB-CD1 3.87Å; L437-L495 HydrophobicContact CD2-CD2 3.69Å; I490-L495 HydrophobicContact CG2-CD2 3.99Å; I490-L495 HydrophobicContact CG2-CG 4.37Å; S492-L495 PolarHBondContact O-N 2.93Å; L495-D497 PolarHBondContact O-N 3.02Å; L495-D497 VanDerWaalsContact O-N 3.12Å; L495-L498 HydrophobicContact CD2-CD1 4.16Å; L495-L498 WeakPolarHBondContact O-CB 3.26Å; L495-L498 PolarHBondContact O-N 3.24Å; L495-L498 VanDerWaalsContact O-N 3.08Å; L495-L524 HydrophobicContact CB-CD1 4.29Å; L495-L524 HydrophobicContact CD2-CD1 4.11Å |
| 496 | K | 70.7 | Confident | 83.5 | Confident | 107 Ų | 107 | 50.5 Ų | 50.5 | 47% | 0.465 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.1 | -168.5 | -83.5 | 165.5 | -175.6 | -173.5 | 0 | 116 | F356 S492 | F356-K496 HydrophobicContact CD2-CG 4.31Å; S492-K496 WeakPolarHBondContact O-CG 3.33Å; S492-K496 PolarHBondContact O-N 3.35Å |
| 497 | D | 70.1 | Confident | 83.8 | Confident | 143 Ų | 143 | 49.4 Ų | 49.4 | 77% | 0.765 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 15.9 | -178.3 | -51.4 | -71.5 | 0 | 0 | 0 | 112.6 | L495 P499 | L495-D497 PolarHBondContact O-N 3.02Å; L495-D497 VanDerWaalsContact O-N 3.12Å; D497-P499 WeakPolarHBondContact O-CD 3.34Å |
| 498 | L | 73 | Confident | 83.9 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | trans | -113 | 30.7 | -174.4 | -55.3 | -178.8 | 0 | 0 | 0 | 116.5 | L437 I450 L495 F503 L524 | L437-L498 HydrophobicContact CD2-CD1 4.11Å; I450-L498 HydrophobicContact CD1-CD1 4.34Å; I450-L498 HydrophobicContact CD1-CD2 4.38Å; I450-L498 HydrophobicContact CG2-CD1 3.95Å; I450-L498 HydrophobicContact CG2-CD2 4.16Å; L495-L498 HydrophobicContact CD2-CD1 4.16Å; L495-L498 WeakPolarHBondContact O-CB 3.26Å; L495-L498 PolarHBondContact O-N 3.24Å; L495-L498 VanDerWaalsContact O-N 3.08Å; L498-F503 HydrophobicContact CB-CE1 4.4Å; L498-F503 HydrophobicContact CB-CE2 4.41Å; L498-F503 HydrophobicContact CB-CZ 3.75Å; L498-F503 HydrophobicContact CD1-CE1 4.33Å; L498-F503 HydrophobicContact CD1-CZ 4.43Å; L498-F503 HydrophobicContact CG-CZ 4.5Å; L498-F503 WeakPolarHBondContact O-CZ 3.46Å; L498-L524 HydrophobicContact CB-CD1 3.99Å; L498-L524 HydrophobicContact CD1-CD1 4.39Å | ||
| 499 | P | 69.1 | Low | 83.7 | Confident | 61 Ų | 61 | 44.2 Ų | 44.2 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | 154.4 | -170.9 | 30.7 | -37.2 | 0 | 0 | 0 | 114.2 | F356 D497 Q501 | F356-P499 HydrophobicContact CD1-CB 4.33Å; F356-P499 HydrophobicContact CE1-CB 4.47Å; D497-P499 WeakPolarHBondContact O-CD 3.34Å; P499-Q501 PolarHBondContact O-N 2.8Å |
| 500 | G | 69.4 | Low | 83.3 | Confident | 50 Ų | 50 | 44.1 Ų | 44.1 | 52% | 0.515 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -10.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | L524 | G500-L524 PolarHBondContact N-O 3.33Š|
| 501 | Q | 76.6 | Confident | 82.5 | Confident | 65 Ų | 65 | 45.9 Ų | 45.9 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | trans | -94.4 | 164.8 | -170.2 | -70.3 | 176.6 | 79.1 | 0 | 0 | 113.6 | L399 P499 F503 K523 L524 | L399-Q501 VanDerWaalsContact CD2-OE1 3.29Å; P499-Q501 PolarHBondContact O-N 2.8Å; Q501-F503 HydrophobicContact CB-CE1 4.43Å; Q501-F503 HydrophobicContact CB-CE2 3.65Å; Q501-F503 HydrophobicContact CB-CZ 3.54Å; Q501-F503 WeakPolarHBondContact O-CE2 3.38Å; Q501-K523 WeakPolarHBondContact O-CA 3.45Å; Q501-L524 PolarHBondContact O-N 3.39Å | ||
| 502 | S | 85.7 | Confident | 81.8 | Confident | 50 Ų | 50 | 43.7 Ų | 43.7 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.5 | 174.7 | -59.5 | 0 | 0 | 0 | 0 | 110.3 | A440 F522 K523 | A440-S502 WeakPolarHBondContact CB-O 3.41Å; A440-S502 PolarHBondContact N-O 3.33Å; S502-F522 CarbonylContact C-O 3.56Å; S502-F522 VanDerWaalsContact CA-O 3.3Å; S502-F522 WeakPolarHBondContact CA-O 3.42Å; S502-K523 WeakPolarHBondContact OG-CE 3.29Å |
| 503 | F | 89.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 162.9 | -178.3 | -58.4 | -83 | 0 | 0 | 0 | 111.3 | L437 Y438 I450 L498 Q501 P521 F522 L524 | L437-F503 HydrophobicContact CD1-CB 3.77Å; L437-F503 HydrophobicContact CD1-CD1 4.42Å; L437-F503 HydrophobicContact CD1-CG 4.26Å; L437-F503 HydrophobicContact CG-CD1 4.38Å; Y438-F503 CarbonylContact O-C 3.57Å; Y438-F503 VanDerWaalsContact O-CA 3.25Å; Y438-F503 WeakPolarHBondContact O-CA 3.3Å; Y438-F503 WeakPolarHBondContact O-CB 3.48Å; I450-F503 HydrophobicContact CD1-CD1 3.8Å; I450-F503 HydrophobicContact CD1-CE1 3.56Å; L498-F503 HydrophobicContact CB-CE1 4.4Å; L498-F503 HydrophobicContact CB-CE2 4.41Å; L498-F503 HydrophobicContact CB-CZ 3.75Å; L498-F503 HydrophobicContact CD1-CE1 4.33Å; L498-F503 HydrophobicContact CD1-CZ 4.43Å; L498-F503 HydrophobicContact CG-CZ 4.5Å; L498-F503 WeakPolarHBondContact O-CZ 3.46Å; Q501-F503 HydrophobicContact CB-CE1 4.43Å; Q501-F503 HydrophobicContact CB-CE2 3.65Å; Q501-F503 HydrophobicContact CB-CZ 3.54Å; Q501-F503 WeakPolarHBondContact O-CE2 3.38Å; F503-P521 VanDerWaalsContact O-CA 3.31Å; F503-P521 WeakPolarHBondContact O-CA 3.14Å; F503-F522 HydrophobicContact CB-CE1 3.94Å; F503-F522 HydrophobicContact CB-CE2 4.19Å; F503-F522 HydrophobicContact CB-CZ 3.77Å; F503-F522 PolarHBondContact N-O 3.32Å; F503-F522 WeakPolarHBondContact O-CD1 3.38Å; F503-F522 WeakPolarHBondContact O-CE1 3.44Å; F503-F522 PolarHBondContact O-N 2.83Å; F503-L524 HydrophobicContact CD2-CB 4.33Å; F503-L524 HydrophobicContact CD2-CD1 3.92Å; F503-L524 HydrophobicContact CD2-CG 3.73Å; F503-L524 HydrophobicContact CE2-CB 3.99Å; F503-L524 HydrophobicContact CE2-CD1 3.67Å; F503-L524 HydrophobicContact CE2-CG 3.75Å; F503-L524 HydrophobicContact CZ-CD1 4.27Å |
| 504 | C | 92.4 | Very high | 81.2 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 156.3 | 165.5 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | Y438 | Y438-C504 PolarHBondContact N-O 2.78Å; Y438-C504 PolarHBondContact O-N 3.35Å |
| 505 | L | 94.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 140 | 170.3 | -59.7 | 178.3 | 0 | 0 | 0 | 109.7 | F346 P349 L360 I362 I435 A436 L437 I490 Y518 S519 F522 | F346-L505 HydrophobicContact CD1-CB 4.21Å; F346-L505 HydrophobicContact CD1-CD1 3.82Å; F346-L505 HydrophobicContact CE1-CB 3.69Å; F346-L505 HydrophobicContact CE1-CD1 3.69Å; F346-L505 HydrophobicContact CE1-CG 4.36Å; F346-L505 HydrophobicContact CE2-CB 4.21Å; F346-L505 HydrophobicContact CZ-CB 3.68Å; P349-L505 VanDerWaalsContact CD-CD1 3.49Å; P349-L505 HydrophobicContact CG-CD1 4.21Å; L360-L505 HydrophobicContact CD2-CD2 4.26Å; I362-L505 HydrophobicContact CB-CD1 4.32Å; I362-L505 HydrophobicContact CD1-CD1 3.74Å; I362-L505 HydrophobicContact CD1-CD2 4.18Å; I362-L505 HydrophobicContact CG1-CD1 3.76Å; I362-L505 HydrophobicContact CG2-CD1 3.63Å; I435-L505 HydrophobicContact CG2-CB 4.05Å; I435-L505 HydrophobicContact CG2-CD1 4.24Å; I435-L505 HydrophobicContact CG2-CD2 4.16Å; I435-L505 HydrophobicContact CG2-CG 4.39Å; A436-L505 WeakPolarHBondContact O-CA 3.33Å; L437-L505 HydrophobicContact CB-CD2 4.37Å; L437-L505 HydrophobicContact CD1-CD2 3.77Å; I490-L505 HydrophobicContact CD1-CD2 4.33Å; L505-Y518 CarbonylContact O-C 3.59Å; L505-Y518 VanDerWaalsContact O-CA 3.31Å; L505-Y518 WeakPolarHBondContact O-CA 3.22Å; L505-S519 PolarHBondContact N-OG 2.96Å; L505-S519 PolarHBondContact O-N 3.23Å; L505-F522 HydrophobicContact CD2-CE1 4.43Å; L505-F522 HydrophobicContact CD2-CZ 4.3Å; L505-F522 HydrophobicContact CG-CE1 4.02Å; L505-F522 HydrophobicContact CG-CZ 4.31Å |
| 506 | V | 94.1 | Very high | 82 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.6 | 171.4 | -171.3 | 0 | 0 | 0 | 0 | 108.4 | I435 A436 Y438 M508 P515 G517 Y518 | I435-V506 WeakPolarHBondContact CA-O 3.4Å; A436-V506 PolarHBondContact N-O 2.91Å; A436-V506 PolarHBondContact O-N 2.96Å; Y438-V506 HydrophobicContact CD2-CB 4.02Å; Y438-V506 HydrophobicContact CD2-CG2 3.43Å; Y438-V506 VanDerWaalsContact CD2-CG2 3.43Å; Y438-V506 HydrophobicContact CE2-CB 3.7Å; Y438-V506 HydrophobicContact CE2-CG2 3.5Å; Y438-V506 HydrophobicContact CG-CG2 4.29Å; V506-M508 HydrophobicContact CG1-CG 4.25Å; V506-M508 HydrophobicContact CG1-SD 3.81Å; V506-P515 HydrophobicContact CG1-CB 3.82Å; V506-P515 HydrophobicContact CG1-CG 4.02Å; V506-G517 WeakPolarHBondContact CA-O 3.48Å; V506-Y518 HydrophobicContact CB-CD1 4.44Å; V506-Y518 HydrophobicContact CB-CE1 4.49Å; V506-Y518 HydrophobicContact CG1-CD1 4.2Å; V506-Y518 HydrophobicContact CG1-CE1 3.93Å; V506-Y518 HydrophobicContact CG2-CD1 3.68Å; V506-Y518 HydrophobicContact CG2-CE1 3.77Å |
| 507 | Y | 94 | Very high | 83 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.8 | 168.1 | -172 | -70.5 | 0 | 0 | 0 | 108.3 | V344 Y364 L427 D433 I435 A455 P515 Q516 G517 | V344-Y507 HydrophobicContact CB-CD2 4.33Å; V344-Y507 HydrophobicContact CB-CG 4.1Å; V344-Y507 HydrophobicContact CG1-CD2 3.79Å; V344-Y507 HydrophobicContact CG1-CE2 4.5Å; V344-Y507 HydrophobicContact CG1-CG 3.98Å; V344-Y507 HydrophobicContact CG2-CD1 3.83Å; V344-Y507 HydrophobicContact CG2-CD2 3.95Å; V344-Y507 HydrophobicContact CG2-CE1 4.1Å; V344-Y507 HydrophobicContact CG2-CE2 4.19Å; V344-Y507 HydrophobicContact CG2-CG 3.76Å; Y364-Y507 HydrophobicContact CD2-CD2 4.31Å; Y364-Y507 HydrophobicContact CD2-CE2 4.24Å; Y364-Y507 HydrophobicContact CE2-CD2 4.07Å; Y364-Y507 AromaticContact CE2-CE2 3.59Å; Y364-Y507 HydrophobicContact CE2-CE2 3.59Å; L427-Y507 HydrophobicContact CD2-CE1 4.19Å; D433-Y507 HydrophobicContact CB-CE1 3.74Å; D433-Y507 VanDerWaalsContact CB-OH 3.23Å; D433-Y507 WeakPolarHBondContact CB-OH 3.42Å; D433-Y507 WeakPolarHBondContact OD2-CE1 3.33Å; D433-Y507 PolarHBondContact OD2-OH 2.73Å; I435-Y507 HydrophobicContact CD1-CD2 4.16Å; I435-Y507 HydrophobicContact CG1-CD2 3.77Å; I435-Y507 HydrophobicContact CG1-CE2 4.45Å; I435-Y507 HydrophobicContact CG1-CG 4.44Å; A455-Y507 HydrophobicContact CB-CD2 4.4Å; A455-Y507 HydrophobicContact CB-CE2 3.53Å; Y507-P515 CarbonylContact O-C 3.6Å; Y507-P515 WeakPolarHBondContact O-CA 3.32Å; Y507-Q516 HydrophobicContact CD1-CB 3.97Å; Y507-Q516 PolarHBondContact O-N 3.39Å; Y507-G517 PolarHBondContact N-O 3.02Å |
| 508 | M | 90.5 | Very high | 84.1 | Confident | 16 Ų | 16 | 27.7 Ų | 27.7 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.6 | 179.5 | -65.9 | -65.9 | -72.3 | 0 | 0 | 109.7 | D433 W434 V506 P515 | D433-M508 WeakPolarHBondContact CA-O 3.49Å; W434-M508 HydrophobicContact CD2-CB 3.65Å; W434-M508 HydrophobicContact CE3-CB 4.14Å; W434-M508 HydrophobicContact CG-CB 4.09Å; W434-M508 HydrophobicContact CH2-CB 4.09Å; W434-M508 HydrophobicContact CZ2-CB 3.6Å; W434-M508 HydrophobicContact CZ2-CE 4.19Å; W434-M508 HydrophobicContact CZ2-CG 4.07Å; W434-M508 HydrophobicContact CZ3-CB 4.33Å; W434-M508 PolarHBondContact N-O 2.61Å; W434-M508 PolarHBondContact O-N 3.16Å; V506-M508 HydrophobicContact CG1-CG 4.25Å; V506-M508 HydrophobicContact CG1-SD 3.81Å; M508-P515 HydrophobicContact SD-CB 4.24Å; M508-P515 HydrophobicContact SD-CG 3.74Å; M508-P515 VanDerWaalsContact SD-N 3.45Å |
| 509 | S | 85 | Confident | 85.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -82.2 | 132.6 | 175 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | D433 N511 K512 H513 C514 | D433-S509 WeakPolarHBondContact OD1-CA 3.36Å; D433-S509 PolarHBondContact OD1-OG 3.47Å; S509-N511 VanDerWaalsContact C-N 3.27Å; S509-N511 PolarHBondContact O-N 3.19Å; S509-N511 PolarHBondContact OG-N 2.97Å; S509-N511 VanDerWaalsContact OG-N 3.09Å; S509-K512 PolarHBondContact OG-N 2.83Å; S509-H513 VanDerWaalsContact O-CA 3.25Å; S509-H513 WeakPolarHBondContact O-CA 3.21Å; S509-H513 PolarHBondContact O-N 3.29Å; S509-C514 PolarHBondContact N-O 3.42Å; S509-C514 VanDerWaalsContact N-O 3.15Å | ||
| 510 | R | 80.4 | Confident | 86 | Confident | 108 Ų | 108 | 30 Ų | 30 | 41% | 0.408 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30.8 | 168.9 | -171.7 | 68 | -166.8 | 148 | 12.5 | 111.7 | T430 F432 D433 W434 H513 | T430-R510 WeakPolarHBondContact OG1-CB 3.16Å; F432-R510 HydrophobicContact CB-CB 4Å; F432-R510 HydrophobicContact CB-CG 3.78Å; F432-R510 WeakPolarHBondContact O-CB 3.41Å; D433-R510 PolarHBondContact OD1-N 3.32Å; W434-R510 HydrophobicContact CZ3-CB 4.33Å; R510-H513 PolarHBondContact O-CE1 2.95Å; R510-H513 PolarHBondContact O-ND1 3.16Å |
| 511 | N | 73.1 | Confident | 86.9 | Confident | 38 Ų | 38 | 32 Ų | 32 | 20% | 0.203 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -43.5 | 178.6 | -72.8 | -15.4 | 0 | 0 | 0 | 112.1 | R153 K410 Q428 T430 S509 | R153-N511 PolarHBondContact NH1-O 3.33Å; K410-N511 WeakPolarHBondContact CE-OD1 3.49Å; Q428-N511 PolarHBondContact O-ND2 2.96Å; T430-N511 VanDerWaalsContact CG2-CG 3.48Å; T430-N511 WeakPolarHBondContact CG2-ND2 3.15Å; T430-N511 WeakPolarHBondContact CG2-OD1 3.22Å; S509-N511 VanDerWaalsContact C-N 3.27Å; S509-N511 PolarHBondContact O-N 3.19Å; S509-N511 PolarHBondContact OG-N 2.97Å; S509-N511 VanDerWaalsContact OG-N 3.09Å |
| 512 | K | 72.9 | Confident | 87.5 | Confident | 42 Ų | 42 | 29.4 Ų | 29.4 | 18% | 0.183 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -0.3 | -178.1 | -59.7 | -176.6 | -179 | 178 | 0 | 114.5 | R153 P425 S509 C514 | R153-K512 PolarHBondContact NH2-O 3.36Å; P425-K512 PolarHBondContact O-NZ 2.97Å; P425-K512 VanDerWaalsContact O-NZ 3.13Å; S509-K512 PolarHBondContact OG-N 2.83Å; K512-C514 PolarHBondContact O-N 3.01Å; K512-C514 PolarHBondContact O-SG 2.91Å |
| 513 | H | 76.2 | Confident | 87.5 | Confident | 86 Ų | 86 | 31.8 Ų | 31.8 | 40% | 0.398 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 43.7 | 25.7 | -178.9 | -68.4 | -16 | 0 | 0 | 0 | 116.1 | R153 S509 R510 | R153-H513 PolarHBondContact NH1-CD2 3.04Å; S509-H513 VanDerWaalsContact O-CA 3.25Å; S509-H513 WeakPolarHBondContact O-CA 3.21Å; S509-H513 PolarHBondContact O-N 3.29Å; R510-H513 PolarHBondContact O-CE1 2.95Å; R510-H513 PolarHBondContact O-ND1 3.16Å |
| 514 | C | 83.8 | Confident | 87 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -142.7 | 167.8 | -175.4 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | N91 I92 S509 K512 | N91-C514 PolarHBondContact N-SG 3.3Å; I92-C514 HydrophobicContact CB-CB 3.99Å; I92-C514 HydrophobicContact CD1-CB 4.18Å; I92-C514 HydrophobicContact CG1-CB 4.09Å; S509-C514 PolarHBondContact N-O 3.42Å; S509-C514 VanDerWaalsContact N-O 3.15Å; K512-C514 PolarHBondContact O-N 3.01Å; K512-C514 PolarHBondContact O-SG 2.91Å |
| 515 | P | 90.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 138.7 | 169.6 | -26.8 | 37 | 0 | 0 | 0 | 111.4 | L445 V506 Y507 M508 Y518 | L445-P515 HydrophobicContact CD1-CG 3.94Å; L445-P515 HydrophobicContact CD2-CG 3.76Å; L445-P515 HydrophobicContact CG-CG 4.39Å; V506-P515 HydrophobicContact CG1-CB 3.82Å; V506-P515 HydrophobicContact CG1-CG 4.02Å; Y507-P515 CarbonylContact O-C 3.6Å; Y507-P515 WeakPolarHBondContact O-CA 3.32Å; M508-P515 HydrophobicContact SD-CB 4.24Å; M508-P515 HydrophobicContact SD-CG 3.74Å; M508-P515 VanDerWaalsContact SD-N 3.45Å; P515-Y518 HydrophobicContact CB-CE2 3.81Å; P515-Y518 WeakPolarHBondContact CB-OH 3.4Å; P515-Y518 VanDerWaalsContact CG-OH 3.32Å; P515-Y518 WeakPolarHBondContact CG-OH 3.26Å |
| 516 | Q | 91 | Very high | 84.9 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 7.1 | 171.8 | -66.9 | -66.3 | -85.6 | 0 | 0 | 111.6 | L342 P343 V344 L427 Y507 | L342-Q516 WeakPolarHBondContact CB-O 3.42Å; P343-Q516 VanDerWaalsContact CD-O 3.31Å; P343-Q516 WeakPolarHBondContact CD-O 3.2Å; P343-Q516 HydrophobicContact CG-CB 3.99Å; P343-Q516 HydrophobicContact CG-CG 4.49Å; V344-Q516 WeakPolarHBondContact CA-O 3.49Å; V344-Q516 VanDerWaalsContact CB-O 3.27Å; V344-Q516 WeakPolarHBondContact CB-O 3.36Å; V344-Q516 HydrophobicContact CG2-CB 4.26Å; V344-Q516 PolarHBondContact N-O 3.14Å; L427-Q516 HydrophobicContact CD1-CG 4.04Å; L427-Q516 HydrophobicContact CD2-CB 4.3Å; Y507-Q516 HydrophobicContact CD1-CB 3.97Å; Y507-Q516 PolarHBondContact O-N 3.39Å |
| 517 | G | 92.1 | Very high | 84.5 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | 153.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V344 V506 Y507 | V344-G517 VanDerWaalsContact O-CA 3.26Å; V344-G517 WeakPolarHBondContact O-CA 3.46Å; V506-G517 WeakPolarHBondContact CA-O 3.48Å; Y507-G517 PolarHBondContact N-O 3.02Å |
| 518 | Y | 93.5 | Very high | 84 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143.1 | 176.2 | -62.8 | -97.1 | 0 | 0 | 0 | 109.7 | L86 L342 F442 L505 V506 P515 | L86-Y518 HydrophobicContact CB-CE1 4.3Å; L86-Y518 HydrophobicContact CB-CE2 4.26Å; L86-Y518 WeakPolarHBondContact O-CE2 3.37Å; L86-Y518 PolarHBondContact O-OH 2.99Å; L342-Y518 HydrophobicContact CD1-CD2 3.48Å; L342-Y518 VanDerWaalsContact CD1-CD2 3.48Å; L342-Y518 HydrophobicContact CD1-CE2 3.5Å; L342-Y518 VanDerWaalsContact CD1-CE2 3.5Å; F442-Y518 HydrophobicContact CZ-CE1 4.16Å; L505-Y518 CarbonylContact O-C 3.59Å; L505-Y518 VanDerWaalsContact O-CA 3.31Å; L505-Y518 WeakPolarHBondContact O-CA 3.22Å; V506-Y518 HydrophobicContact CB-CD1 4.44Å; V506-Y518 HydrophobicContact CB-CE1 4.49Å; V506-Y518 HydrophobicContact CG1-CD1 4.2Å; V506-Y518 HydrophobicContact CG1-CE1 3.93Å; V506-Y518 HydrophobicContact CG2-CD1 3.68Å; V506-Y518 HydrophobicContact CG2-CE1 3.77Å; P515-Y518 HydrophobicContact CB-CE2 3.81Å; P515-Y518 WeakPolarHBondContact CB-OH 3.4Å; P515-Y518 VanDerWaalsContact CG-OH 3.32Å; P515-Y518 WeakPolarHBondContact CG-OH 3.26Å |
| 519 | S | 92.6 | Very high | 83.6 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 167.1 | 166 | 77.5 | 0 | 0 | 0 | 0 | 110.9 | F346 L505 | F346-S519 VanDerWaalsContact CD2-N 3.32Å; L505-S519 PolarHBondContact N-OG 2.96Å; L505-S519 PolarHBondContact O-N 3.23Å |
| 520 | L | 88.7 | Confident | 83.5 | Confident | 111 Ų | 111 | 52.4 Ų | 52.4 | 58% | 0.581 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 156.5 | 159.9 | -67.2 | 175.6 | 0 | 0 | 0 | 110 | D350 F522 | D350-L520 PolarHBondContact OD1-N 3.12Å; D350-L520 WeakPolarHBondContact OD2-CG 3.46Å; L520-F522 PolarHBondContact O-N 2.97Å |
| 521 | P | 88.5 | Confident | 83.7 | Confident | 92 Ų | 92 | 48.9 Ų | 48.9 | 60% | 0.597 | 25% | 0.247 | S | C | * | . | P | Polyproline II helix | trans | -60.7 | 130.1 | 170.9 | -25.6 | 36.1 | 0 | 0 | 0 | 111.8 | A440 F503 | A440-P521 HydrophobicContact CB-CB 3.99Å; A440-P521 HydrophobicContact CB-CG 4.4Å; F503-P521 VanDerWaalsContact O-CA 3.31Å; F503-P521 WeakPolarHBondContact O-CA 3.14Å |
| 522 | F | 88.3 | Confident | 84.4 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 5% | 0.048 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 164 | 177.9 | 66.5 | -79.6 | 0 | 0 | 0 | 110 | P349 L360 L437 S502 F503 L505 L520 L524 | P349-F522 HydrophobicContact CB-CB 4.2Å; P349-F522 HydrophobicContact CB-CD1 4.19Å; P349-F522 HydrophobicContact CB-CD2 3.9Å; P349-F522 HydrophobicContact CB-CE2 4.3Å; P349-F522 HydrophobicContact CB-CG 3.84Å; P349-F522 HydrophobicContact CG-CB 4.1Å; P349-F522 HydrophobicContact CG-CD1 3.28Å; P349-F522 HydrophobicContact CG-CD2 3.81Å; P349-F522 HydrophobicContact CG-CE1 3.5Å; P349-F522 VanDerWaalsContact CG-CE1 3.5Å; P349-F522 HydrophobicContact CG-CE2 3.99Å; P349-F522 HydrophobicContact CG-CG 3.45Å; P349-F522 VanDerWaalsContact CG-CG 3.45Å; P349-F522 HydrophobicContact CG-CZ 3.84Å; L360-F522 HydrophobicContact CD1-CE2 4.03Å; L360-F522 HydrophobicContact CD2-CE2 3.83Å; L360-F522 HydrophobicContact CD2-CZ 3.74Å; L437-F522 HydrophobicContact CD1-CE1 4.34Å; L437-F522 HydrophobicContact CD1-CZ 3.62Å; S502-F522 CarbonylContact C-O 3.56Å; S502-F522 VanDerWaalsContact CA-O 3.3Å; S502-F522 WeakPolarHBondContact CA-O 3.42Å; F503-F522 HydrophobicContact CB-CE1 3.94Å; F503-F522 HydrophobicContact CB-CE2 4.19Å; F503-F522 HydrophobicContact CB-CZ 3.77Å; F503-F522 PolarHBondContact N-O 3.32Å; F503-F522 WeakPolarHBondContact O-CD1 3.38Å; F503-F522 WeakPolarHBondContact O-CE1 3.44Å; F503-F522 PolarHBondContact O-N 2.83Å; L505-F522 HydrophobicContact CD2-CE1 4.43Å; L505-F522 HydrophobicContact CD2-CZ 4.3Å; L505-F522 HydrophobicContact CG-CE1 4.02Å; L505-F522 HydrophobicContact CG-CZ 4.31Å; L520-F522 PolarHBondContact O-N 2.97Å; F522-L524 HydrophobicContact CE2-CD2 4.2Å |
| 523 | K | 85.2 | Confident | 85.2 | Confident | 101 Ų | 101 | 50.2 Ų | 50.2 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 140.2 | 178.6 | -70.9 | -161.5 | 170.9 | -157.5 | 0 | 112.2 | Q501 S502 Q525 | Q501-K523 WeakPolarHBondContact O-CA 3.45Å; S502-K523 WeakPolarHBondContact OG-CE 3.29Å; K523-Q525 HydrophobicContact CB-CG 4.43Å |
| 524 | L | 80.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 130.7 | 158 | -59.4 | 179 | 0 | 0 | 0 | 108.1 | Y354 L495 L498 G500 Q501 F503 F522 | Y354-L524 WeakPolarHBondContact O-CA 3.42Å; L495-L524 HydrophobicContact CB-CD1 4.29Å; L495-L524 HydrophobicContact CD2-CD1 4.11Å; L498-L524 HydrophobicContact CB-CD1 3.99Å; L498-L524 HydrophobicContact CD1-CD1 4.39Å; G500-L524 PolarHBondContact N-O 3.33Å; Q501-L524 PolarHBondContact O-N 3.39Å; F503-L524 HydrophobicContact CD2-CB 4.33Å; F503-L524 HydrophobicContact CD2-CD1 3.92Å; F503-L524 HydrophobicContact CD2-CG 3.73Å; F503-L524 HydrophobicContact CE2-CB 3.99Å; F503-L524 HydrophobicContact CE2-CD1 3.67Å; F503-L524 HydrophobicContact CE2-CG 3.75Å; F503-L524 HydrophobicContact CZ-CD1 4.27Å; F522-L524 HydrophobicContact CE2-CD2 4.2Å |
| 525 | Q | 75.9 | Confident | 86.1 | Confident | 101 Ų | 101 | 51.4 Ų | 51.4 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 178.9 | 178 | -61.8 | -176.9 | 1.9 | 0 | 0 | 108.4 | Y354 S355 F356 K523 | Y354-Q525 PolarHBondContact O-N 3.12Å; S355-Q525 CarbonylContact C-O 3.54Å; S355-Q525 VanDerWaalsContact CA-O 3.27Å; S355-Q525 WeakPolarHBondContact CA-O 3.38Å; F356-Q525 WeakPolarHBondContact CD1-O 3.45Å; F356-Q525 PolarHBondContact N-O 2.94Å; K523-Q525 HydrophobicContact CB-CG 4.43Å |
| 526 | D | 66.6 | Low | 85.7 | Confident | 147 Ų | 147 | 56.1 Ų | 56.1 | 79% | 0.786 | 29% | 0.288 | S | S | * | . | trans | -81.1 | 0 | -177.9 | -58.3 | -8.1 | 0 | 0 | 0 | 111.8 | S355 F356 N357 | S355-D526 WeakPolarHBondContact CB-OXT 3.4Å; S355-D526 PolarHBondContact OG-OXT 3.33Å; F356-D526 HydrophobicContact CE1-CB 4.03Å; F356-D526 WeakPolarHBondContact CE1-OD1 3.32Å; N357-D526 PolarHBondContact ND2-OXT 3.12Å |
Retrieved 526 of 526 residues in 150.5 ms
(Link to these results)