| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 82.8 | Confident | 86 | Confident | 155 Ų | 155 | 40.8 Ų | 40.8 | 76% | 0.764 | 19% | 0.191 | S | C | * | . | 0 | 149.9 | 0 | -160.1 | 168.5 | -74.3 | 0 | 0 | 108.7 | N33 T35 R136 | M1-N33 WeakPolarHBondContact CG-O 3.25Å; M1-T35 PolarHBondContact SD-OG1 3.3Å; M1-R136 PolarHBondContact O-NH2 3.17Å | |||
| 2 | M | 92.5 | Very high | 84.5 | Confident | 36 Ų | 36 | 38.8 Ų | 38.8 | 18% | 0.177 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 148.2 | 171.6 | -80.7 | 178.6 | -92.3 | 0 | 0 | 110.5 | V34 T35 D56 V129 M132 R136 | M2-V34 HydrophobicContact CB-CG1 4.22Å; M2-V34 HydrophobicContact CB-CG2 4.2Å; M2-V34 CarbonylContact O-C 3.5Å; M2-V34 WeakPolarHBondContact O-CA 3.23Å; M2-T35 PolarHBondContact O-N 2.93Å; M2-D56 VanDerWaalsContact CA-OD2 3.25Å; M2-D56 WeakPolarHBondContact CA-OD2 3.34Å; M2-V129 HydrophobicContact CE-CG1 4.21Å; M2-M132 HydrophobicContact CB-SD 4.01Å; M2-M132 HydrophobicContact CG-CB 4.41Å; M2-M132 HydrophobicContact CG-SD 4.43Å; M2-M132 HydrophobicContact SD-CB 3.54Å; M2-M132 VanDerWaalsContact SD-CB 3.54Å; M2-M132 HydrophobicContact SD-CG 4.47Å; M2-M132 HydrophobicContact SD-SD 4.26Å; M2-R136 VanDerWaalsContact CA-NH2 3.35Å |
| 3 | K | 95.9 | Very high | 82.9 | Confident | 68 Ų | 68 | 45.6 Ų | 45.6 | 30% | 0.296 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.2 | 179.9 | -73.6 | 177.6 | 173.4 | -171.6 | 0 | 110.7 | T35 E53 A54 D56 C57 | K3-T35 WeakPolarHBondContact CA-O 3.27Å; K3-T35 HydrophobicContact CG-CG2 4.46Å; K3-E53 IonicContact NZ-OE1 3.83Å; K3-E53 PolarHBondContact NZ-OE1 3.3Å; K3-A54 VanDerWaalsContact CD-O 3.23Å; K3-A54 WeakPolarHBondContact CD-O 3.26Å; K3-D56 PolarHBondContact N-OD2 3.05Å; K3-D56 WeakPolarHBondContact O-CA 3.5Å; K3-D56 WeakPolarHBondContact O-CB 3.45Å; K3-D56 PolarHBondContact O-N 3.24Å; K3-C57 PolarHBondContact O-N 3.26Å |
| 4 | V | 96.7 | Very high | 81.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.4 | 174.6 | 61.7 | 0 | 0 | 0 | 0 | 109.6 | I6 L29 V34 T35 V36 I37 C57 M59 | V4-I6 HydrophobicContact CG2-CG1 4.42Å; V4-L29 HydrophobicContact CG1-CD1 3.96Å; V4-V34 HydrophobicContact CB-CG1 4.08Å; V4-V34 HydrophobicContact CG1-CG1 3.62Å; V4-T35 PolarHBondContact N-O 2.93Å; V4-V36 HydrophobicContact CG1-CB 4.25Å; V4-V36 HydrophobicContact CG1-CG1 4.29Å; V4-V36 HydrophobicContact CG1-CG2 3.84Å; V4-I37 PolarHBondContact O-N 3.24Å; V4-C57 WeakPolarHBondContact CA-O 3.37Å; V4-C57 HydrophobicContact CB-CB 4.4Å; V4-C57 HydrophobicContact CG2-CB 3.94Å; V4-M59 HydrophobicContact CG2-CE 4.07Å; V4-M59 HydrophobicContact CG2-CG 3.76Å; V4-M59 HydrophobicContact CG2-SD 4Å |
| 5 | L | 96.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.9 | 171.3 | 174.7 | 59.7 | 0 | 0 | 0 | 108.7 | V7 I37 I48 L49 I55 C57 L58 M59 | L5-V7 HydrophobicContact CD1-CG2 4.18Å; L5-V7 HydrophobicContact CD2-CG2 3.99Å; L5-V7 HydrophobicContact CG-CG2 3.77Å; L5-I37 CarbonylContact C-O 3.4Å; L5-I37 WeakPolarHBondContact CA-O 3.37Å; L5-I37 HydrophobicContact CD1-CB 4.13Å; L5-I37 HydrophobicContact CD1-CG2 3.87Å; L5-I48 HydrophobicContact CD1-CD1 3.86Å; L5-I48 HydrophobicContact CD1-CG2 4.32Å; L5-I48 HydrophobicContact CD2-CB 4.47Å; L5-I48 HydrophobicContact CD2-CG2 4.11Å; L5-L49 HydrophobicContact CD2-CD2 3.82Å; L5-L49 HydrophobicContact CD2-CG 3.99Å; L5-I55 HydrophobicContact CB-CD1 3.85Å; L5-I55 HydrophobicContact CB-CG2 4.13Å; L5-I55 HydrophobicContact CD2-CD1 4.32Å; L5-C57 PolarHBondContact N-O 2.86Å; L5-L58 HydrophobicContact CB-CD1 4.23Å; L5-L58 HydrophobicContact CD2-CD1 3.98Å; L5-L58 HydrophobicContact CG-CD1 4Å; L5-M59 PolarHBondContact O-N 3.16Å |
| 6 | I | 94.6 | Very high | 80.1 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116 | 172.1 | -54.9 | -178 | 0 | 0 | 0 | 107.7 | V4 E8 V22 A26 L29 V36 I37 K38 S39 M59 L92 | V4-I6 HydrophobicContact CG2-CG1 4.42Å; I6-E8 HydrophobicContact CG2-CG 4.38Å; I6-V22 HydrophobicContact CG2-CG1 3.72Å; I6-A26 HydrophobicContact CD1-CB 4.21Å; I6-L29 HydrophobicContact CD1-CD1 4.13Å; I6-V36 HydrophobicContact CD1-CG1 3.62Å; I6-V36 HydrophobicContact CG1-CG1 4.02Å; I6-I37 PolarHBondContact N-O 2.74Å; I6-K38 WeakPolarHBondContact O-CA 3.49Å; I6-S39 PolarHBondContact O-N 2.93Å; I6-M59 CarbonylContact C-O 3.55Å; I6-M59 WeakPolarHBondContact CA-O 3.24Å; I6-M59 HydrophobicContact CG1-CB 4.25Å; I6-M59 HydrophobicContact CG1-SD 4.34Å; I6-L92 HydrophobicContact CG2-CD1 4.32Å |
| 7 | V | 91.5 | Very high | 79.9 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 109.7 | 177.1 | -175 | 0 | 0 | 0 | 0 | 109.5 | L5 S41 F42 L58 M59 F60 S61 L76 | L5-V7 HydrophobicContact CD1-CG2 4.18Å; L5-V7 HydrophobicContact CD2-CG2 3.99Å; L5-V7 HydrophobicContact CG-CG2 3.77Å; V7-S41 WeakPolarHBondContact CG1-O 3.48Å; V7-F42 HydrophobicContact CG1-CD1 3.78Å; V7-F42 HydrophobicContact CG1-CE1 4.02Å; V7-F42 HydrophobicContact CG1-CG 4.35Å; V7-L58 HydrophobicContact CG2-CD1 3.88Å; V7-M59 PolarHBondContact N-O 2.86Å; V7-F60 HydrophobicContact CB-CB 4.21Å; V7-F60 VanDerWaalsContact O-CA 3.22Å; V7-F60 WeakPolarHBondContact O-CA 3.33Å; V7-S61 PolarHBondContact O-N 2.89Å; V7-L76 HydrophobicContact CB-CD2 4.18Å; V7-L76 HydrophobicContact CG1-CD2 4.18Å; V7-L76 HydrophobicContact CG2-CD2 3.93Å |
| 8 | E | 85.6 | Confident | 79.8 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 140.4 | 173.7 | -63.3 | 179.6 | -121.7 | 0 | 0 | 109.7 | I6 V22 S39 T40 S41 | I6-E8 HydrophobicContact CG2-CG 4.38Å; E8-V22 HydrophobicContact CG-CG1 4.15Å; E8-S39 PolarHBondContact N-O 3.05Å; E8-T40 CarbonylContact O-C 2.92Å; E8-S41 WeakPolarHBondContact O-CA 3.49Å; E8-S41 PolarHBondContact O-N 3.34Å |
| 9 | S | 77.6 | Confident | 79.8 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | trans | -61.9 | 141.2 | 168.7 | 176.3 | 0 | 0 | 0 | 0 | 110 | F11 L12 S61 E69 | S9-F11 PolarHBondContact O-N 3.14Å; S9-F11 VanDerWaalsContact OG-CD2 3.24Å; S9-F11 WeakPolarHBondContact OG-CD2 3.36Å; S9-F11 PolarHBondContact OG-N 2.97Å; S9-L12 WeakPolarHBondContact O-CB 3.46Å; S9-L12 PolarHBondContact O-N 3.25Å; S9-S61 WeakPolarHBondContact CB-O 3.4Å; S9-S61 PolarHBondContact N-O 3.47Å; S9-E69 WeakPolarHBondContact CB-OE1 3.31Å; S9-E69 PolarHBondContact OG-OE1 3.19Å | ||
| 10 | E | 69.9 | Low | 80 | Confident | 99 Ų | 99 | 60.5 Ų | 60.5 | 46% | 0.463 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -17.9 | 173.2 | 60.7 | -156.7 | -143.3 | 0 | 0 | 113.3 | T40 | E10-T40 WeakPolarHBondContact CA-O 3.42Š|
| 11 | F | 63.1 | Low | 80.4 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -9.2 | 175.2 | -52.8 | -66 | 0 | 0 | 0 | 113.3 | S9 H13 Q63 H66 E69 | S9-F11 PolarHBondContact O-N 3.14Å; S9-F11 VanDerWaalsContact OG-CD2 3.24Å; S9-F11 WeakPolarHBondContact OG-CD2 3.36Å; S9-F11 PolarHBondContact OG-N 2.97Å; F11-H13 PolarHBondContact O-N 2.67Å; F11-Q63 PolarHBondContact O-NE2 3.47Å; F11-H66 AromaticContact CD2-CD2 3.9Å; F11-H66 AromaticContact CE2-CD2 3.84Å; F11-E69 HydrophobicContact CD2-CG 4.33Å; F11-E69 WeakPolarHBondContact CD2-OE1 3.43Å; F11-E69 HydrophobicContact CE2-CG 4.27Å |
| 12 | L | 67.7 | Low | 80.7 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | trans | -88.6 | 101.3 | 175.7 | -103.7 | 141.8 | 0 | 0 | 0 | 110.3 | S9 V18 | S9-L12 WeakPolarHBondContact O-CB 3.46Å; S9-L12 PolarHBondContact O-N 3.25Å; L12-V18 HydrophobicContact CD2-CB 3.76Å; L12-V18 HydrophobicContact CD2-CG1 3.56Å | ||
| 13 | H | 63.2 | Low | 80.5 | Confident | 128 Ų | 128 | 51.3 Ų | 51.3 | 59% | 0.593 | 24% | 0.244 | S | C | * | . | trans | -75 | 135.9 | 173.3 | -60.7 | -54.2 | 0 | 0 | 0 | 111.2 | F11 D15 T16 | F11-H13 PolarHBondContact O-N 2.67Å; H13-D15 PolarHBondContact O-N 3.44Å; H13-D15 VanDerWaalsContact O-N 3.16Å; H13-T16 HydrophobicContact CB-CG2 3.92Å; H13-T16 VanDerWaalsContact O-CB 3.27Å; H13-T16 WeakPolarHBondContact O-CB 3.33Å; H13-T16 VanDerWaalsContact O-CG2 3.25Å; H13-T16 WeakPolarHBondContact O-CG2 3.33Å; H13-T16 PolarHBondContact O-N 3.01Å; H13-T16 PolarHBondContact O-OG1 3.31Å | ||
| 14 | Q | 62.5 | Low | 80.3 | Confident | 111 Ų | 111 | 53.1 Ų | 53.1 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.3 | 175.9 | -69.9 | -174.1 | -19.3 | 0 | 0 | 112.9 | T16 N20 | Q14-T16 PolarHBondContact O-N 3.39Å; Q14-T16 VanDerWaalsContact O-N 3.17Å; Q14-N20 PolarHBondContact O-ND2 2.99Å |
| 15 | D | 67.8 | Low | 80.2 | Confident | 159 Ų | 159 | 53.2 Ų | 53.2 | 85% | 0.85 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -0.2 | 176.3 | -64.4 | -27.1 | 0 | 0 | 0 | 113.6 | H13 | H13-D15 PolarHBondContact O-N 3.44Å; H13-D15 VanDerWaalsContact O-N 3.16Å |
| 16 | T | 73.7 | Confident | 80 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 28% | 0.276 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -84.4 | 157.6 | 175.4 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | H13 Q14 V18 G19 N20 | H13-T16 HydrophobicContact CB-CG2 3.92Å; H13-T16 VanDerWaalsContact O-CB 3.27Å; H13-T16 WeakPolarHBondContact O-CB 3.33Å; H13-T16 VanDerWaalsContact O-CG2 3.25Å; H13-T16 WeakPolarHBondContact O-CG2 3.33Å; H13-T16 PolarHBondContact O-N 3.01Å; H13-T16 PolarHBondContact O-OG1 3.31Å; Q14-T16 PolarHBondContact O-N 3.39Å; Q14-T16 VanDerWaalsContact O-N 3.17Å; T16-V18 PolarHBondContact O-N 3.17Å; T16-G19 PolarHBondContact O-N 3.21Å; T16-G19 PolarHBondContact OG1-N 3.09Å; T16-N20 PolarHBondContact O-N 3.34Å; T16-N20 PolarHBondContact O-ND2 3.34Å |
| 17 | W | 76.2 | Confident | 80 | Confident | 187 Ų | 187 | 57.7 Ų | 57.7 | 71% | 0.708 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.7 | -32.3 | 174.8 | -170.4 | -98.8 | 0 | 0 | 0 | 112.4 | A21 L117 | W17-A21 PolarHBondContact O-N 2.89Å; W17-A21 VanDerWaalsContact O-N 3.09Å; W17-L117 VanDerWaalsContact CD1-CD2 3.49Å |
| 18 | V | 78.3 | Confident | 80.2 | Confident | 43 Ų | 43 | 58 Ų | 58 | 26% | 0.261 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70.3 | -48.1 | 177 | -172.8 | 0 | 0 | 0 | 0 | 110.6 | L12 T16 N20 A21 V22 I116 L117 | L12-V18 HydrophobicContact CD2-CB 3.76Å; L12-V18 HydrophobicContact CD2-CG1 3.56Å; T16-V18 PolarHBondContact O-N 3.17Å; V18-N20 VanDerWaalsContact C-N 3.33Å; V18-N20 PolarHBondContact O-N 3.32Å; V18-A21 WeakPolarHBondContact O-CA 3.39Å; V18-A21 VanDerWaalsContact O-CB 3.29Å; V18-A21 WeakPolarHBondContact O-CB 3.24Å; V18-A21 PolarHBondContact O-N 3.49Å; V18-V22 PolarHBondContact O-N 3.3Å; V18-I116 HydrophobicContact CG1-CD1 3.38Å; V18-I116 HydrophobicContact CG1-CG1 4.49Å; V18-L117 HydrophobicContact CG2-CD1 4.39Å |
| 19 | G | 80.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.2 | -44.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | T16 A21 V22 E23 | T16-G19 PolarHBondContact O-N 3.21Å; T16-G19 PolarHBondContact OG1-N 3.09Å; G19-A21 PolarHBondContact O-N 3.12Å; G19-V22 PolarHBondContact O-N 2.98Å; G19-V22 VanDerWaalsContact O-N 3.14Å; G19-E23 PolarHBondContact O-N 2.99Å |
| 20 | N | 84.2 | Confident | 81.6 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.1 | -28.1 | 173 | -76.9 | -68.5 | 0 | 0 | 0 | 113.7 | Q14 T16 V18 R24 | Q14-N20 PolarHBondContact O-ND2 2.99Å; T16-N20 PolarHBondContact O-N 3.34Å; T16-N20 PolarHBondContact O-ND2 3.34Å; V18-N20 VanDerWaalsContact C-N 3.33Å; V18-N20 PolarHBondContact O-N 3.32Å; N20-R24 WeakPolarHBondContact O-CG 3.37Å; N20-R24 PolarHBondContact O-N 3.48Å; N20-R24 VanDerWaalsContact O-N 3.17Å; N20-R24 PolarHBondContact O-NH1 3.36Å |
| 21 | A | 87.9 | Confident | 82.8 | Confident | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.9 | -38.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W17 V18 G19 R24 L25 I116 L117 | W17-A21 PolarHBondContact O-N 2.89Å; W17-A21 VanDerWaalsContact O-N 3.09Å; V18-A21 WeakPolarHBondContact O-CA 3.39Å; V18-A21 VanDerWaalsContact O-CB 3.29Å; V18-A21 WeakPolarHBondContact O-CB 3.24Å; V18-A21 PolarHBondContact O-N 3.49Å; G19-A21 PolarHBondContact O-N 3.12Å; A21-R24 PolarHBondContact O-N 3.33Å; A21-L25 PolarHBondContact O-N 2.64Å; A21-I116 HydrophobicContact CB-CB 4.28Å; A21-I116 HydrophobicContact CB-CD1 4.49Å; A21-L117 HydrophobicContact CB-CD2 4.15Å |
| 22 | V | 88.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 172.9 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | I6 E8 V18 G19 L25 A26 L92 I116 | I6-V22 HydrophobicContact CG2-CG1 3.72Å; E8-V22 HydrophobicContact CG-CG1 4.15Å; V18-V22 PolarHBondContact O-N 3.3Å; G19-V22 PolarHBondContact O-N 2.98Å; G19-V22 VanDerWaalsContact O-N 3.14Å; V22-L25 WeakPolarHBondContact O-CB 3.29Å; V22-L25 PolarHBondContact O-N 3.36Å; V22-A26 PolarHBondContact O-N 3.12Å; V22-L92 HydrophobicContact CG2-CD1 4.38Å; V22-I116 HydrophobicContact CG2-CD1 4.15Å |
| 23 | E | 89.3 | Confident | 85.3 | Confident | 55 Ų | 55 | 68.4 Ų | 68.4 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 173.7 | -74.2 | -58.5 | 139.4 | 0 | 0 | 112.3 | G19 L25 A26 D27 K38 | G19-E23 PolarHBondContact O-N 2.99Å; E23-L25 VanDerWaalsContact C-N 3.26Å; E23-L25 PolarHBondContact O-N 3.01Å; E23-A26 WeakPolarHBondContact O-CB 3.43Å; E23-A26 PolarHBondContact O-N 3.03Å; E23-A26 VanDerWaalsContact O-N 3.16Å; E23-D27 PolarHBondContact O-N 3.39Å; E23-K38 IonicContact OE1-NZ 2.65Å; E23-K38 PolarHBondContact OE1-NZ 3.42Å; E23-K38 IonicContact OE2-NZ 2.74Å; E23-K38 PolarHBondContact OE2-NZ 3.43Å |
| 24 | R | 91.8 | Very high | 86.9 | Confident | 107 Ų | 107 | 62.5 Ų | 62.5 | 40% | 0.404 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.1 | -36.3 | 175.3 | -72.7 | -173.6 | -60.6 | -89.5 | 4.3 | 112.5 | N20 A21 A28 A121 | N20-R24 WeakPolarHBondContact O-CG 3.37Å; N20-R24 PolarHBondContact O-N 3.48Å; N20-R24 VanDerWaalsContact O-N 3.17Å; N20-R24 PolarHBondContact O-NH1 3.36Å; A21-R24 PolarHBondContact O-N 3.33Å; R24-A28 WeakPolarHBondContact O-CB 3.28Å; R24-A28 PolarHBondContact O-N 2.94Å; R24-A121 HydrophobicContact CB-CB 4.05Å |
| 25 | L | 93.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 175.4 | 176.3 | 58.2 | 0 | 0 | 0 | 111.5 | A21 V22 E23 D27 A28 L29 M59 L92 I124 A125 | A21-L25 PolarHBondContact O-N 2.64Å; V22-L25 WeakPolarHBondContact O-CB 3.29Å; V22-L25 PolarHBondContact O-N 3.36Å; E23-L25 VanDerWaalsContact C-N 3.26Å; E23-L25 PolarHBondContact O-N 3.01Å; L25-D27 VanDerWaalsContact C-N 3.32Å; L25-D27 PolarHBondContact O-N 3Å; L25-A28 PolarHBondContact O-N 2.82Å; L25-L29 HydrophobicContact CD1-CD1 4.1Å; L25-L29 HydrophobicContact CD1-CG 4.28Å; L25-L29 HydrophobicContact CG-CD1 3.95Å; L25-L29 WeakPolarHBondContact O-CG 3.41Å; L25-L29 PolarHBondContact O-N 3.24Å; L25-M59 HydrophobicContact CD2-SD 3.94Å; L25-L92 HydrophobicContact CD2-CD1 4.04Å; L25-L92 HydrophobicContact CD2-CD2 3.97Å; L25-I124 HydrophobicContact CD1-CB 3.83Å; L25-I124 HydrophobicContact CD1-CG2 3.63Å; L25-I124 HydrophobicContact CD2-CG2 3.9Å; L25-I124 HydrophobicContact CG-CG2 4.45Å; L25-A125 HydrophobicContact CD1-CB 4.15Å |
| 26 | A | 93.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I6 V22 E23 L29 S30 V36 | I6-A26 HydrophobicContact CD1-CB 4.21Å; V22-A26 PolarHBondContact O-N 3.12Å; E23-A26 WeakPolarHBondContact O-CB 3.43Å; E23-A26 PolarHBondContact O-N 3.03Å; E23-A26 VanDerWaalsContact O-N 3.16Å; A26-L29 PolarHBondContact O-N 2.94Å; A26-S30 WeakPolarHBondContact O-CB 3.48Å; A26-S30 PolarHBondContact O-N 3.01Å; A26-S30 PolarHBondContact O-OG 3.24Å; A26-V36 HydrophobicContact CB-CG1 4.03Å; A26-V36 HydrophobicContact CB-CG2 4.48Å |
| 27 | D | 94.8 | Very high | 90.9 | Very high | 92 Ų | 92 | 53.4 Ų | 53.4 | 49% | 0.492 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 173.7 | -75.2 | -18.8 | 0 | 0 | 0 | 111.6 | E23 L25 L29 S30 Q31 | E23-D27 PolarHBondContact O-N 3.39Å; L25-D27 VanDerWaalsContact C-N 3.32Å; L25-D27 PolarHBondContact O-N 3Å; D27-L29 PolarHBondContact O-N 2.89Å; D27-S30 PolarHBondContact O-N 2.96Å; D27-Q31 VanDerWaalsContact O-CG 3.32Å; D27-Q31 WeakPolarHBondContact O-CG 3.27Å; D27-Q31 PolarHBondContact O-N 2.94Å |
| 28 | A | 95.5 | Very high | 91.6 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R24 L25 Q31 Q32 A121 A125 | R24-A28 WeakPolarHBondContact O-CB 3.28Å; R24-A28 PolarHBondContact O-N 2.94Å; L25-A28 PolarHBondContact O-N 2.82Å; A28-Q31 PolarHBondContact O-N 2.65Å; A28-Q32 WeakPolarHBondContact O-CG 3.47Å; A28-Q32 PolarHBondContact O-N 2.65Å; A28-A121 HydrophobicContact CB-CB 4.16Å; A28-A125 HydrophobicContact CB-CB 3.83Å |
| 29 | L | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 174.2 | -74.8 | 159.6 | 0 | 0 | 0 | 111.6 | V4 I6 L25 A26 D27 Q31 Q32 V34 V36 M59 A125 A128 M132 | V4-L29 HydrophobicContact CG1-CD1 3.96Å; I6-L29 HydrophobicContact CD1-CD1 4.13Å; L25-L29 HydrophobicContact CD1-CD1 4.1Å; L25-L29 HydrophobicContact CD1-CG 4.28Å; L25-L29 HydrophobicContact CG-CD1 3.95Å; L25-L29 WeakPolarHBondContact O-CG 3.41Å; L25-L29 PolarHBondContact O-N 3.24Å; A26-L29 PolarHBondContact O-N 2.94Å; D27-L29 PolarHBondContact O-N 2.89Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 3.19Å; L29-Q32 CarbonylContact O-C 3.37Å; L29-Q32 WeakPolarHBondContact O-CA 2.87Å; L29-Q32 WeakPolarHBondContact O-CB 3.3Å; L29-Q32 PolarHBondContact O-N 3.39Å; L29-V34 HydrophobicContact CB-CB 4.26Å; L29-V34 HydrophobicContact CD2-CG2 4.41Å; L29-V34 VanDerWaalsContact O-CB 3.31Å; L29-V34 WeakPolarHBondContact O-CB 3.34Å; L29-V34 PolarHBondContact O-N 3.39Å; L29-V34 VanDerWaalsContact O-N 3.1Å; L29-V36 HydrophobicContact CB-CG2 3.71Å; L29-V36 HydrophobicContact CD1-CG2 4.38Å; L29-M59 HydrophobicContact CD1-CE 4.21Å; L29-M59 HydrophobicContact CD1-SD 4.1Å; L29-M59 HydrophobicContact CD2-CE 4.47Å; L29-A125 HydrophobicContact CD2-CB 3.99Å; L29-A125 HydrophobicContact CG-CB 3.99Å; L29-A128 HydrophobicContact CD2-CB 4.12Å; L29-M132 HydrophobicContact CD2-CE 4.16Å |
| 30 | S | 95.2 | Very high | 92.5 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 178.2 | -60 | 0 | 0 | 0 | 0 | 112.1 | A26 D27 Q32 N33 V34 | A26-S30 WeakPolarHBondContact O-CB 3.48Å; A26-S30 PolarHBondContact O-N 3.01Å; A26-S30 PolarHBondContact O-OG 3.24Å; D27-S30 PolarHBondContact O-N 2.96Å; S30-Q32 PolarHBondContact O-N 3.47Å; S30-N33 PolarHBondContact O-N 3.4Å; S30-V34 WeakPolarHBondContact CA-O 3.48Å |
| 31 | Q | 94.8 | Very high | 92.7 | Very high | 151 Ų | 151 | 47.9 Ų | 47.9 | 71% | 0.706 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.7 | -24.4 | 173.7 | -71.6 | 172.7 | 19.2 | 0 | 0 | 113 | D27 A28 L29 N33 | D27-Q31 VanDerWaalsContact O-CG 3.32Å; D27-Q31 WeakPolarHBondContact O-CG 3.27Å; D27-Q31 PolarHBondContact O-N 2.94Å; A28-Q31 PolarHBondContact O-N 2.65Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 3.19Å; Q31-N33 VanDerWaalsContact C-N 3.3Å |
| 32 | Q | 92.4 | Very high | 92.8 | Very high | 88 Ų | 88 | 48 Ų | 48 | 41% | 0.411 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 15.8 | 175.1 | -61.1 | -70.4 | -17.8 | 0 | 0 | 113.1 | A28 L29 S30 V34 V129 | A28-Q32 WeakPolarHBondContact O-CG 3.47Å; A28-Q32 PolarHBondContact O-N 2.65Å; L29-Q32 CarbonylContact O-C 3.37Å; L29-Q32 WeakPolarHBondContact O-CA 2.87Å; L29-Q32 WeakPolarHBondContact O-CB 3.3Å; L29-Q32 PolarHBondContact O-N 3.39Å; S30-Q32 PolarHBondContact O-N 3.47Å; Q32-V34 VanDerWaalsContact C-N 3.28Å; Q32-V34 HydrophobicContact CB-CG2 4.39Å; Q32-V34 PolarHBondContact O-N 3.43Å; Q32-V129 HydrophobicContact CB-CG2 4.12Å |
| 33 | N | 92.6 | Very high | 92.8 | Very high | 123 Ų | 123 | 53.4 Ų | 53.4 | 66% | 0.658 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 34.7 | -175.2 | -59.9 | -59.9 | 0 | 0 | 0 | 113.9 | M1 S30 Q31 | M1-N33 WeakPolarHBondContact CG-O 3.25Å; S30-N33 PolarHBondContact O-N 3.4Å; Q31-N33 VanDerWaalsContact C-N 3.3Å |
| 34 | V | 96 | Very high | 92.9 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128.9 | 169.2 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | M2 V4 L29 S30 Q32 V36 V129 M132 | M2-V34 HydrophobicContact CB-CG1 4.22Å; M2-V34 HydrophobicContact CB-CG2 4.2Å; M2-V34 CarbonylContact O-C 3.5Å; M2-V34 WeakPolarHBondContact O-CA 3.23Å; V4-V34 HydrophobicContact CB-CG1 4.08Å; V4-V34 HydrophobicContact CG1-CG1 3.62Å; L29-V34 HydrophobicContact CB-CB 4.26Å; L29-V34 HydrophobicContact CD2-CG2 4.41Å; L29-V34 VanDerWaalsContact O-CB 3.31Å; L29-V34 WeakPolarHBondContact O-CB 3.34Å; L29-V34 PolarHBondContact O-N 3.39Å; L29-V34 VanDerWaalsContact O-N 3.1Å; S30-V34 WeakPolarHBondContact CA-O 3.48Å; Q32-V34 VanDerWaalsContact C-N 3.28Å; Q32-V34 HydrophobicContact CB-CG2 4.39Å; Q32-V34 PolarHBondContact O-N 3.43Å; V34-V36 PolarHBondContact O-N 3.46Å; V34-V129 HydrophobicContact CG2-CG2 3.84Å; V34-M132 HydrophobicContact CG1-CE 3.99Å; V34-M132 HydrophobicContact CG1-SD 4.14Å; V34-M132 HydrophobicContact CG2-CE 3.93Å |
| 35 | T | 96.5 | Very high | 93 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 32% | 0.319 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 118.7 | 169.7 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | M1 M2 K3 V4 | M1-T35 PolarHBondContact SD-OG1 3.3Å; M2-T35 PolarHBondContact O-N 2.93Å; K3-T35 WeakPolarHBondContact CA-O 3.27Å; K3-T35 HydrophobicContact CG-CG2 4.46Å; V4-T35 PolarHBondContact N-O 2.93Å |
| 36 | V | 96 | Very high | 92.9 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 20% | 0.2 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.1 | 177.6 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | V4 I6 A26 L29 V34 K38 | V4-V36 HydrophobicContact CG1-CB 4.25Å; V4-V36 HydrophobicContact CG1-CG1 4.29Å; V4-V36 HydrophobicContact CG1-CG2 3.84Å; I6-V36 HydrophobicContact CD1-CG1 3.62Å; I6-V36 HydrophobicContact CG1-CG1 4.02Å; A26-V36 HydrophobicContact CB-CG1 4.03Å; A26-V36 HydrophobicContact CB-CG2 4.48Å; L29-V36 HydrophobicContact CB-CG2 3.71Å; L29-V36 HydrophobicContact CD1-CG2 4.38Å; V34-V36 PolarHBondContact O-N 3.46Å; V36-K38 HydrophobicContact CG1-CG 3.95Å |
| 37 | I | 95 | Very high | 92.9 | Very high | 38 Ų | 38 | 54.8 Ų | 54.8 | 20% | 0.195 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.3 | 169.5 | -56.2 | 164 | 0 | 0 | 0 | 106.5 | V4 L5 I6 I48 E53 I55 | V4-I37 PolarHBondContact O-N 3.24Å; L5-I37 CarbonylContact C-O 3.4Å; L5-I37 WeakPolarHBondContact CA-O 3.37Å; L5-I37 HydrophobicContact CD1-CB 4.13Å; L5-I37 HydrophobicContact CD1-CG2 3.87Å; I6-I37 PolarHBondContact N-O 2.74Å; I37-I48 HydrophobicContact CG2-CD1 4.02Å; I37-E53 HydrophobicContact CD1-CG 3.66Å; I37-I55 HydrophobicContact CD1-CG2 4.39Å |
| 38 | K | 92.4 | Very high | 92.8 | Very high | 71 Ų | 71 | 51.8 Ų | 51.8 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 136.2 | 179.4 | -64 | -170.6 | -179.9 | 178.9 | 0 | 110.5 | I6 E23 V36 | I6-K38 WeakPolarHBondContact O-CA 3.49Å; E23-K38 IonicContact OE1-NZ 2.65Å; E23-K38 PolarHBondContact OE1-NZ 3.42Å; E23-K38 IonicContact OE2-NZ 2.74Å; E23-K38 PolarHBondContact OE2-NZ 3.43Å; V36-K38 HydrophobicContact CG1-CG 3.95Å |
| 39 | S | 91.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.4 | 168.6 | 176.3 | 0 | 0 | 0 | 0 | 109.6 | I6 E8 S41 D44 G45 | I6-S39 PolarHBondContact O-N 2.93Å; E8-S39 PolarHBondContact N-O 3.05Å; S39-S41 PolarHBondContact OG-N 3.06Å; S39-S41 PolarHBondContact OG-O 3.27Å; S39-D44 VanDerWaalsContact OG-CB 3.24Å; S39-D44 WeakPolarHBondContact OG-CB 3.37Å; S39-D44 PolarHBondContact OG-OD2 3.35Å; S39-G45 PolarHBondContact OG-N 3.19Å |
| 40 | T | 85.8 | Confident | 92.3 | Very high | 94 Ų | 94 | 52.6 Ų | 52.6 | 58% | 0.577 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -94.7 | -0.3 | -179.6 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | E8 E10 | E8-T40 CarbonylContact O-C 2.92Å; E10-T40 WeakPolarHBondContact CA-O 3.42Å |
| 41 | S | 87.9 | Confident | 91.9 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -152.5 | 165 | 175.1 | 63.3 | 0 | 0 | 0 | 0 | 111.1 | V7 E8 S39 D43 D44 G45 | V7-S41 WeakPolarHBondContact CG1-O 3.48Å; E8-S41 WeakPolarHBondContact O-CA 3.49Å; E8-S41 PolarHBondContact O-N 3.34Å; S39-S41 PolarHBondContact OG-N 3.06Å; S39-S41 PolarHBondContact OG-O 3.27Å; S41-D43 VanDerWaalsContact C-N 3.31Å; S41-D44 WeakPolarHBondContact OG-CB 3.39Å; S41-D44 PolarHBondContact OG-N 3.23Å; S41-D44 VanDerWaalsContact OG-N 3.12Å; S41-G45 PolarHBondContact O-N 2.89Å; S41-G45 VanDerWaalsContact O-N 3.13Å |
| 42 | F | 89 | Confident | 91.4 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.8 | -35.1 | 172.1 | -77.4 | -72 | 0 | 0 | 0 | 112.5 | V7 G45 F46 F60 Y62 N72 V73 L76 | V7-F42 HydrophobicContact CG1-CD1 3.78Å; V7-F42 HydrophobicContact CG1-CE1 4.02Å; V7-F42 HydrophobicContact CG1-CG 4.35Å; F42-G45 PolarHBondContact O-N 3.29Å; F42-F46 WeakPolarHBondContact O-CB 3.42Å; F42-F46 PolarHBondContact O-N 3.3Å; F42-F60 HydrophobicContact CE1-CB 4.39Å; F42-F60 HydrophobicContact CE1-CD2 4.39Å; F42-F60 HydrophobicContact CZ-CD2 4.48Å; F42-Y62 HydrophobicContact CZ-CG 4.38Å; F42-N72 HydrophobicContact CB-CB 3.9Å; F42-N72 HydrophobicContact CD1-CB 4.49Å; F42-N72 HydrophobicContact CD2-CB 4.3Å; F42-N72 HydrophobicContact CG-CB 3.97Å; F42-V73 HydrophobicContact CD1-CG2 4.36Å; F42-V73 HydrophobicContact CE1-CG2 3.49Å; F42-V73 VanDerWaalsContact CE1-CG2 3.49Å; F42-V73 HydrophobicContact CE2-CG2 4.4Å; F42-V73 HydrophobicContact CZ-CG2 3.51Å; F42-L76 HydrophobicContact CD1-CD2 4.04Å; F42-L76 HydrophobicContact CE1-CD2 4.23Å |
| 43 | D | 89.7 | Confident | 91.3 | Very high | 113 Ų | 113 | 47.3 Ų | 47.3 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.2 | -43.2 | 178.6 | -75.7 | -6.6 | 0 | 0 | 0 | 112.3 | S41 G45 F46 A47 | S41-D43 VanDerWaalsContact C-N 3.31Å; D43-G45 VanDerWaalsContact C-N 3.34Å; D43-F46 WeakPolarHBondContact O-CB 3.22Å; D43-F46 PolarHBondContact O-N 3.48Å; D43-A47 PolarHBondContact O-N 3.14Å |
| 44 | D | 91.6 | Very high | 91.2 | Very high | 67 Ų | 67 | 44.5 Ų | 44.5 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 175.4 | -178.7 | 41.4 | 0 | 0 | 0 | 111 | S39 S41 F46 A47 I48 | S39-D44 VanDerWaalsContact OG-CB 3.24Å; S39-D44 WeakPolarHBondContact OG-CB 3.37Å; S39-D44 PolarHBondContact OG-OD2 3.35Å; S41-D44 WeakPolarHBondContact OG-CB 3.39Å; S41-D44 PolarHBondContact OG-N 3.23Å; S41-D44 VanDerWaalsContact OG-N 3.12Å; D44-F46 VanDerWaalsContact C-N 3.33Å; D44-F46 PolarHBondContact O-N 3.13Å; D44-A47 WeakPolarHBondContact O-CB 3.47Å; D44-A47 PolarHBondContact O-N 2.64Å; D44-I48 WeakPolarHBondContact O-CG1 3.33Å; D44-I48 PolarHBondContact O-N 2.94Å |
| 45 | G | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S39 S41 F42 D43 I48 L49 L76 | S39-G45 PolarHBondContact OG-N 3.19Å; S41-G45 PolarHBondContact O-N 2.89Å; S41-G45 VanDerWaalsContact O-N 3.13Å; F42-G45 PolarHBondContact O-N 3.29Å; D43-G45 VanDerWaalsContact C-N 3.34Å; G45-I48 PolarHBondContact O-N 2.83Å; G45-L49 WeakPolarHBondContact O-CG 3.47Å; G45-L49 PolarHBondContact O-N 3.43Å; G45-L76 VanDerWaalsContact C-CD1 3.42Å |
| 46 | F | 92.9 | Very high | 91.1 | Very high | 76 Ų | 76 | 42.5 Ų | 42.5 | 33% | 0.333 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.7 | -38.9 | 176 | -172.5 | -84.8 | 0 | 0 | 0 | 111.8 | F42 D43 D44 L49 S50 Q75 L76 K79 | F42-F46 WeakPolarHBondContact O-CB 3.42Å; F42-F46 PolarHBondContact O-N 3.3Å; D43-F46 WeakPolarHBondContact O-CB 3.22Å; D43-F46 PolarHBondContact O-N 3.48Å; D44-F46 VanDerWaalsContact C-N 3.33Å; D44-F46 PolarHBondContact O-N 3.13Å; F46-L49 PolarHBondContact O-N 2.89Å; F46-S50 WeakPolarHBondContact CD1-OG 3.42Å; F46-S50 WeakPolarHBondContact CE1-OG 3.34Å; F46-S50 WeakPolarHBondContact O-CB 3.47Å; F46-S50 PolarHBondContact O-N 3.02Å; F46-S50 PolarHBondContact O-OG 3.09Å; F46-Q75 HydrophobicContact CE2-CB 4.48Å; F46-L76 HydrophobicContact CB-CD1 4.27Å; F46-K79 HydrophobicContact CD2-CB 3.96Å; F46-K79 HydrophobicContact CD2-CG 4.16Å; F46-K79 HydrophobicContact CE2-CB 3.58Å; F46-K79 HydrophobicContact CE2-CD 4.18Å; F46-K79 HydrophobicContact CE2-CG 3.78Å; F46-K79 HydrophobicContact CZ-CB 4.26Å; F46-K79 HydrophobicContact CZ-CD 3.99Å; F46-K79 HydrophobicContact CZ-CG 4Å |
| 47 | A | 92.4 | Very high | 91.1 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D43 D44 S50 S51 | D43-A47 PolarHBondContact O-N 3.14Å; D44-A47 WeakPolarHBondContact O-CB 3.47Å; D44-A47 PolarHBondContact O-N 2.64Å; A47-S50 PolarHBondContact O-N 2.81Å; A47-S51 PolarHBondContact O-N 2.96Å |
| 48 | I | 93 | Very high | 91.1 | Very high | 29 Ų | 29 | 39.1 Ų | 39.1 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -50.5 | 174.6 | -67.5 | 162.6 | 0 | 0 | 0 | 110.3 | L5 I37 D44 G45 S50 S51 E53 | L5-I48 HydrophobicContact CD1-CD1 3.86Å; L5-I48 HydrophobicContact CD1-CG2 4.32Å; L5-I48 HydrophobicContact CD2-CB 4.47Å; L5-I48 HydrophobicContact CD2-CG2 4.11Å; I37-I48 HydrophobicContact CG2-CD1 4.02Å; D44-I48 WeakPolarHBondContact O-CG1 3.33Å; D44-I48 PolarHBondContact O-N 2.94Å; G45-I48 PolarHBondContact O-N 2.83Å; I48-S50 VanDerWaalsContact C-N 3.3Å; I48-S50 PolarHBondContact O-N 3.3Å; I48-S51 PolarHBondContact O-N 2.86Å; I48-S51 PolarHBondContact O-OG 2.84Å; I48-E53 HydrophobicContact CG2-CB 3.78Å; I48-E53 HydrophobicContact CG2-CG 4.16Å |
| 49 | L | 92.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -35.9 | 177.1 | -65.3 | -178.4 | 0 | 0 | 0 | 112.5 | L5 G45 F46 S51 N52 I55 L76 K79 L80 | L5-L49 HydrophobicContact CD2-CD2 3.82Å; L5-L49 HydrophobicContact CD2-CG 3.99Å; G45-L49 WeakPolarHBondContact O-CG 3.47Å; G45-L49 PolarHBondContact O-N 3.43Å; F46-L49 PolarHBondContact O-N 2.89Å; L49-S51 VanDerWaalsContact C-N 3.27Å; L49-S51 PolarHBondContact O-N 2.83Å; L49-N52 WeakPolarHBondContact O-CA 3.28Å; L49-N52 PolarHBondContact O-N 2.88Å; L49-I55 HydrophobicContact CD2-CD1 3.79Å; L49-I55 HydrophobicContact CD2-CG1 4.48Å; L49-L76 HydrophobicContact CD1-CD1 3.57Å; L49-L76 HydrophobicContact CD1-CG 3.91Å; L49-L76 WeakPolarHBondContact CD1-O 3.36Å; L49-L76 HydrophobicContact CG-CD1 4.4Å; L49-K79 HydrophobicContact CB-CG 4.08Å; L49-L80 HydrophobicContact CD1-CB 3.92Å; L49-L80 HydrophobicContact CD2-CD1 3.83Å |
| 50 | S | 88.7 | Confident | 91.1 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 13% | 0.133 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69 | -23.7 | 177.7 | -65.9 | 0 | 0 | 0 | 0 | 114 | F46 A47 I48 K79 R589 | F46-S50 WeakPolarHBondContact CD1-OG 3.42Å; F46-S50 WeakPolarHBondContact CE1-OG 3.34Å; F46-S50 WeakPolarHBondContact O-CB 3.47Å; F46-S50 PolarHBondContact O-N 3.02Å; F46-S50 PolarHBondContact O-OG 3.09Å; A47-S50 PolarHBondContact O-N 2.81Å; I48-S50 VanDerWaalsContact C-N 3.3Å; I48-S50 PolarHBondContact O-N 3.3Å; S50-K79 VanDerWaalsContact OG-CE 3.31Å; S50-K79 WeakPolarHBondContact OG-CE 3.37Å; S50-R589 PolarHBondContact O-NH1 3.08Å; S50-R589 PolarHBondContact O-NH2 3.36Å |
| 51 | S | 86.7 | Confident | 91 | Very high | 81 Ų | 81 | 31.4 Ų | 31.4 | 57% | 0.566 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -1.7 | 169.3 | 74.6 | 0 | 0 | 0 | 0 | 113.4 | A47 I48 L49 | A47-S51 PolarHBondContact O-N 2.96Å; I48-S51 PolarHBondContact O-N 2.86Å; I48-S51 PolarHBondContact O-OG 2.84Å; L49-S51 VanDerWaalsContact C-N 3.27Å; L49-S51 PolarHBondContact O-N 2.83Å |
| 52 | N | 85.1 | Confident | 90.3 | Very high | 53 Ų | 53 | 31 Ų | 31 | 28% | 0.283 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 34.3 | 177.8 | -44.5 | -61.9 | 0 | 0 | 0 | 113.7 | L49 A54 R83 | L49-N52 WeakPolarHBondContact O-CA 3.28Å; L49-N52 PolarHBondContact O-N 2.88Å; N52-A54 PolarHBondContact O-N 3.16Å; N52-R83 VanDerWaalsContact CG-CZ 3.43Å; N52-R83 PolarHBondContact ND2-NH1 2.89Å; N52-R83 WeakPolarHBondContact OD1-CD 3.33Å; N52-R83 PolarHBondContact OD1-NE 3.21Å; N52-R83 VanDerWaalsContact OD1-NE 3.13Å; N52-R83 PolarHBondContact OD1-NH1 3.21Å |
| 53 | E | 89.7 | Confident | 89.2 | Confident | 55 Ų | 55 | 33.2 Ų | 33.2 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | trans | -59 | 121.6 | 173.5 | -174.8 | 59.1 | -155.4 | 0 | 0 | 110.1 | K3 I37 I48 I55 Q84 | K3-E53 IonicContact NZ-OE1 3.83Å; K3-E53 PolarHBondContact NZ-OE1 3.3Å; I37-E53 HydrophobicContact CD1-CG 3.66Å; I48-E53 HydrophobicContact CG2-CB 3.78Å; I48-E53 HydrophobicContact CG2-CG 4.16Å; E53-I55 HydrophobicContact CG-CG2 4.07Å; E53-I55 PolarHBondContact O-N 3.44Å; E53-Q84 PolarHBondContact O-NE2 2.8Å | ||
| 54 | A | 90.7 | Very high | 88.1 | Confident | 64 Ų | 64 | 29 Ų | 29 | 53% | 0.529 | 17% | 0.171 | S | C | . | . | trans | -74.2 | 110.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | K3 N52 | K3-A54 VanDerWaalsContact CD-O 3.23Å; K3-A54 WeakPolarHBondContact CD-O 3.26Å; N52-A54 PolarHBondContact O-N 3.16Å | ||
| 55 | I | 94.1 | Very high | 86.8 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | trans | -116.9 | 151 | -179.6 | 63.2 | 168.9 | 0 | 0 | 0 | 110.4 | L5 I37 L49 E53 L58 L80 Q84 V87 | L5-I55 HydrophobicContact CB-CD1 3.85Å; L5-I55 HydrophobicContact CB-CG2 4.13Å; L5-I55 HydrophobicContact CD2-CD1 4.32Å; I37-I55 HydrophobicContact CD1-CG2 4.39Å; L49-I55 HydrophobicContact CD2-CD1 3.79Å; L49-I55 HydrophobicContact CD2-CG1 4.48Å; E53-I55 HydrophobicContact CG-CG2 4.07Å; E53-I55 PolarHBondContact O-N 3.44Å; I55-L58 HydrophobicContact CD1-CB 4.16Å; I55-L80 HydrophobicContact CD1-CD1 3.77Å; I55-L80 HydrophobicContact CG1-CD1 4Å; I55-Q84 VanDerWaalsContact N-OE1 3.12Å; I55-Q84 PolarHBondContact O-OE1 3.23Å; I55-Q84 VanDerWaalsContact O-OE1 3.09Å; I55-V87 HydrophobicContact CD1-CG1 4.37Å; I55-V87 HydrophobicContact CG1-CG1 4.24Å; I55-V87 WeakPolarHBondContact O-CG2 3.5Å | ||
| 56 | D | 95.1 | Very high | 85.7 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 6% | 0.059 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -99.9 | -13.3 | 177.8 | -59 | -79 | 0 | 0 | 0 | 112.2 | M2 K3 P88 M132 Y135 R136 | M2-D56 VanDerWaalsContact CA-OD2 3.25Å; M2-D56 WeakPolarHBondContact CA-OD2 3.34Å; K3-D56 PolarHBondContact N-OD2 3.05Å; K3-D56 WeakPolarHBondContact O-CA 3.5Å; K3-D56 WeakPolarHBondContact O-CB 3.45Å; K3-D56 PolarHBondContact O-N 3.24Å; D56-P88 WeakPolarHBondContact O-CD 3.32Å; D56-P88 WeakPolarHBondContact O-CG 3.43Å; D56-M132 HydrophobicContact CB-CB 4Å; D56-M132 HydrophobicContact CB-CG 3.67Å; D56-M132 HydrophobicContact CB-SD 3.81Å; D56-M132 WeakPolarHBondContact O-CG 3.49Å; D56-Y135 HydrophobicContact CB-CD1 4.37Å; D56-R136 VanDerWaalsContact CG-NH2 3.32Å; D56-R136 IonicContact OD1-CZ 3.94Å; D56-R136 IonicContact OD1-NE 3.93Å; D56-R136 PolarHBondContact OD1-NE 3.49Å; D56-R136 IonicContact OD1-NH2 2.83Å; D56-R136 PolarHBondContact OD1-NH2 2.91Å; D56-R136 VanDerWaalsContact OD1-NH2 3.15Å; D56-R136 IonicContact OD2-CZ 3.32Å; D56-R136 IonicContact OD2-NE 2.97Å; D56-R136 IonicContact OD2-NH2 3.53Å; D56-R136 PolarHBondContact OD2-NH2 3.07Å |
| 57 | C | 96.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 140.9 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | K3 V4 L5 P88 F90 M132 | K3-C57 PolarHBondContact O-N 3.26Å; V4-C57 WeakPolarHBondContact CA-O 3.37Å; V4-C57 HydrophobicContact CB-CB 4.4Å; V4-C57 HydrophobicContact CG2-CB 3.94Å; L5-C57 PolarHBondContact N-O 2.86Å; C57-P88 WeakPolarHBondContact CA-O 3.48Å; C57-P88 HydrophobicContact CB-CG 4.13Å; C57-P88 PolarHBondContact SG-O 3.31Å; C57-P88 VanDerWaalsContact SG-O 3.35Å; C57-F90 VanDerWaalsContact SG-CD2 3.56Å; C57-M132 HydrophobicContact CB-CG 3.65Å; C57-M132 HydrophobicContact CB-SD 3.98Å |
| 58 | L | 95.8 | Very high | 83.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.8 | 167.1 | 174.2 | 64.6 | 0 | 0 | 0 | 108.9 | L5 V7 I55 L76 I77 L80 P88 V89 F90 | L5-L58 HydrophobicContact CB-CD1 4.23Å; L5-L58 HydrophobicContact CD2-CD1 3.98Å; L5-L58 HydrophobicContact CG-CD1 4Å; V7-L58 HydrophobicContact CG2-CD1 3.88Å; I55-L58 HydrophobicContact CD1-CB 4.16Å; L58-L76 HydrophobicContact CD1-CD2 4.23Å; L58-L76 HydrophobicContact CD2-CD2 4.06Å; L58-L76 HydrophobicContact CD2-CG 4.36Å; L58-I77 HydrophobicContact CD2-CG1 4.2Å; L58-L80 HydrophobicContact CB-CD2 3.89Å; L58-L80 HydrophobicContact CD2-CD2 3.83Å; L58-P88 PolarHBondContact N-O 2.97Å; L58-V89 HydrophobicContact CB-CG2 4.42Å; L58-V89 HydrophobicContact CD2-CG1 4.41Å; L58-V89 HydrophobicContact CD2-CG2 4.45Å; L58-V89 CarbonylContact O-C 2.9Å; L58-V89 WeakPolarHBondContact O-CA 3.48Å; L58-F90 PolarHBondContact O-N 3.26Å |
| 59 | M | 94.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.7 | 168.9 | -52.4 | -172.1 | 164.9 | 0 | 0 | 108.7 | V4 L5 I6 V7 L25 L29 F90 L92 A128 | V4-M59 HydrophobicContact CG2-CE 4.07Å; V4-M59 HydrophobicContact CG2-CG 3.76Å; V4-M59 HydrophobicContact CG2-SD 4Å; L5-M59 PolarHBondContact O-N 3.16Å; I6-M59 CarbonylContact C-O 3.55Å; I6-M59 WeakPolarHBondContact CA-O 3.24Å; I6-M59 HydrophobicContact CG1-CB 4.25Å; I6-M59 HydrophobicContact CG1-SD 4.34Å; V7-M59 PolarHBondContact N-O 2.86Å; L25-M59 HydrophobicContact CD2-SD 3.94Å; L29-M59 HydrophobicContact CD1-CE 4.21Å; L29-M59 HydrophobicContact CD1-SD 4.1Å; L29-M59 HydrophobicContact CD2-CE 4.47Å; M59-F90 WeakPolarHBondContact CA-O 3.39Å; M59-F90 HydrophobicContact CB-CB 4.4Å; M59-F90 HydrophobicContact CE-CG 4.49Å; M59-F90 HydrophobicContact CG-CB 4.02Å; M59-L92 HydrophobicContact CB-CD1 3.96Å; M59-L92 HydrophobicContact CB-CD2 4.31Å; M59-L92 HydrophobicContact CB-CG 4.08Å; M59-L92 HydrophobicContact SD-CD2 4.34Å; M59-A128 HydrophobicContact CE-CB 3.21Å |
| 60 | F | 89.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148 | 175.8 | 68.3 | -80 | 0 | 0 | 0 | 112.2 | V7 F42 Y62 V73 I77 V89 F90 L91 L92 L106 V110 | V7-F60 HydrophobicContact CB-CB 4.21Å; V7-F60 VanDerWaalsContact O-CA 3.22Å; V7-F60 WeakPolarHBondContact O-CA 3.33Å; F42-F60 HydrophobicContact CE1-CB 4.39Å; F42-F60 HydrophobicContact CE1-CD2 4.39Å; F42-F60 HydrophobicContact CZ-CD2 4.48Å; F60-Y62 AromaticContact CD2-CD1 3.84Å; F60-Y62 HydrophobicContact CD2-CD1 3.84Å; F60-Y62 HydrophobicContact CD2-CE1 4.18Å; F60-Y62 AromaticContact CE2-CD1 3.74Å; F60-Y62 HydrophobicContact CE2-CD1 3.74Å; F60-Y62 AromaticContact CE2-CE1 3.58Å; F60-Y62 HydrophobicContact CE2-CE1 3.58Å; F60-V73 HydrophobicContact CD2-CG1 4.08Å; F60-V73 HydrophobicContact CD2-CG2 3.79Å; F60-V73 HydrophobicContact CE1-CG1 4.44Å; F60-V73 HydrophobicContact CE2-CB 4.2Å; F60-V73 HydrophobicContact CE2-CG1 3.36Å; F60-V73 HydrophobicContact CE2-CG2 3.67Å; F60-V73 HydrophobicContact CZ-CG1 3.6Å; F60-I77 HydrophobicContact CE1-CD1 4.11Å; F60-I77 HydrophobicContact CZ-CD1 4.23Å; F60-V89 HydrophobicContact CD1-CG1 4.08Å; F60-V89 HydrophobicContact CE1-CG1 3.58Å; F60-F90 WeakPolarHBondContact CD1-O 3.25Å; F60-F90 PolarHBondContact N-O 3.45Å; F60-L91 HydrophobicContact CD2-CD1 3.88Å; F60-L91 HydrophobicContact CE1-CB 4.41Å; F60-L91 HydrophobicContact CE1-CD1 4.35Å; F60-L91 HydrophobicContact CE2-CD1 3.32Å; F60-L91 HydrophobicContact CZ-CB 4.21Å; F60-L91 HydrophobicContact CZ-CD1 3.59Å; F60-L91 HydrophobicContact CZ-CG 4.47Å; F60-L92 WeakPolarHBondContact O-CB 3.42Å; F60-L92 PolarHBondContact O-N 3.24Å; F60-L106 HydrophobicContact CZ-CD1 4.45Å; F60-V110 HydrophobicContact CE1-CG2 4.1Å; F60-V110 HydrophobicContact CZ-CG2 3.94Å |
| 61 | S | 82.4 | Confident | 81.9 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 133.7 | 175.4 | -163.1 | 0 | 0 | 0 | 0 | 110.5 | V7 S9 L92 | V7-S61 PolarHBondContact O-N 2.89Å; S9-S61 WeakPolarHBondContact CB-O 3.4Å; S9-S61 PolarHBondContact N-O 3.47Å; S61-L92 WeakPolarHBondContact CA-O 3.35Å; S61-L92 WeakPolarHBondContact CB-O 3.4Å; S61-L92 PolarHBondContact OG-O 3.45Å |
| 62 | Y | 74.7 | Confident | 81.9 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | trans | -149.2 | 157.1 | 174.8 | 73.6 | -70.8 | 0 | 0 | 0 | 111.6 | F42 F60 M64 E69 H70 V73 L91 L106 | F42-Y62 HydrophobicContact CZ-CG 4.38Å; F60-Y62 AromaticContact CD2-CD1 3.84Å; F60-Y62 HydrophobicContact CD2-CD1 3.84Å; F60-Y62 HydrophobicContact CD2-CE1 4.18Å; F60-Y62 AromaticContact CE2-CD1 3.74Å; F60-Y62 HydrophobicContact CE2-CD1 3.74Å; F60-Y62 AromaticContact CE2-CE1 3.58Å; F60-Y62 HydrophobicContact CE2-CE1 3.58Å; Y62-M64 VanDerWaalsContact C-N 3.31Å; Y62-M64 HydrophobicContact CD1-CE 4.37Å; Y62-M64 HydrophobicContact CD2-CB 4.38Å; Y62-M64 HydrophobicContact CD2-CG 3.85Å; Y62-M64 HydrophobicContact CE1-CE 3.55Å; Y62-M64 HydrophobicContact CE1-CG 4.19Å; Y62-M64 HydrophobicContact CE2-CB 4.07Å; Y62-M64 HydrophobicContact CE2-CE 4.4Å; Y62-M64 HydrophobicContact CE2-CG 3.52Å; Y62-M64 HydrophobicContact CG-CG 4.37Å; Y62-M64 PolarHBondContact O-N 3.01Å; Y62-E69 HydrophobicContact CD2-CB 3.52Å; Y62-E69 HydrophobicContact CD2-CG 4.26Å; Y62-E69 WeakPolarHBondContact CD2-OE2 3.36Å; Y62-E69 HydrophobicContact CE2-CB 4.09Å; Y62-E69 HydrophobicContact CG-CB 4.37Å; Y62-H70 AromaticContact CE2-CE1 3.74Å; Y62-H70 AromaticContact CE2-ND1 3.65Å; Y62-H70 AromaticContact CZ-ND1 3.79Å; Y62-H70 PolarHBondContact OH-CE1 3.29Å; Y62-H70 PolarHBondContact OH-ND1 2.94Å; Y62-V73 HydrophobicContact CD1-CG2 3.97Å; Y62-V73 HydrophobicContact CE1-CG2 4.02Å; Y62-V73 HydrophobicContact CG-CG2 4.29Å; Y62-L91 HydrophobicContact CD1-CD1 3.99Å; Y62-L91 HydrophobicContact CE1-CD1 3.71Å; Y62-L106 VanDerWaalsContact OH-CD2 3.28Å; Y62-L106 WeakPolarHBondContact OH-CD2 3.23Å | ||
| 63 | Q | 65.6 | Low | 82 | Confident | 54 Ų | 54 | 39 Ų | 39 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | trans | -81.1 | -14.3 | -169.2 | -68.7 | -177.6 | -4.6 | 0 | 0 | 113 | F11 E65 E69 | F11-Q63 PolarHBondContact O-NE2 3.47Å; Q63-E65 HydrophobicContact CB-CG 4.33Å; Q63-E65 PolarHBondContact O-N 2.95Å; Q63-E69 PolarHBondContact N-OE2 3.2Å | ||
| 64 | M | 65.1 | Low | 81.9 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 13% | 0.128 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 62.5 | 22.4 | -179.2 | -48.8 | -161.7 | 167.3 | 0 | 0 | 113.4 | Y62 E69 L91 A98 A101 | Y62-M64 VanDerWaalsContact C-N 3.31Å; Y62-M64 HydrophobicContact CD1-CE 4.37Å; Y62-M64 HydrophobicContact CD2-CB 4.38Å; Y62-M64 HydrophobicContact CD2-CG 3.85Å; Y62-M64 HydrophobicContact CE1-CE 3.55Å; Y62-M64 HydrophobicContact CE1-CG 4.19Å; Y62-M64 HydrophobicContact CE2-CB 4.07Å; Y62-M64 HydrophobicContact CE2-CE 4.4Å; Y62-M64 HydrophobicContact CE2-CG 3.52Å; Y62-M64 HydrophobicContact CG-CG 4.37Å; Y62-M64 PolarHBondContact O-N 3.01Å; M64-E69 PolarHBondContact N-OE2 3.39Å; M64-L91 HydrophobicContact CE-CD1 4.19Å; M64-L91 HydrophobicContact CE-CD2 3.7Å; M64-A98 HydrophobicContact CE-CB 4.11Å; M64-A98 VanDerWaalsContact SD-CA 3.58Å; M64-A101 HydrophobicContact CB-CB 4Å; M64-A101 HydrophobicContact CG-CB 4.45Å; M64-A101 HydrophobicContact SD-CB 3.65Å |
| 65 | E | 65.2 | Low | 81.9 | Confident | 112 Ų | 112 | 42 Ų | 42 | 52% | 0.523 | 21% | 0.207 | S | C | . | . | trans | -98.2 | -19 | -177.3 | -68 | -178.3 | -167.9 | 0 | 0 | 111.9 | Q63 K97 | Q63-E65 HydrophobicContact CB-CG 4.33Å; Q63-E65 PolarHBondContact O-N 2.95Å; E65-K97 IonicContact OE1-NZ 3.39Å; E65-K97 PolarHBondContact OE1-NZ 2.59Å | ||
| 66 | H | 68.6 | Low | 81.7 | Confident | 73 Ų | 73 | 42 Ų | 42 | 34% | 0.338 | 21% | 0.207 | S | C | . | . | trans | -117.7 | 124.9 | -175.4 | -60.6 | -55.8 | 0 | 0 | 0 | 111.1 | F11 D68 E69 | F11-H66 AromaticContact CD2-CD2 3.9Å; F11-H66 AromaticContact CE2-CD2 3.84Å; H66-D68 PolarHBondContact O-N 3.43Å; H66-D68 VanDerWaalsContact O-N 3.12Å; H66-E69 HydrophobicContact CB-CG 4.12Å; H66-E69 WeakPolarHBondContact O-CB 3.38Å; H66-E69 PolarHBondContact O-N 3.37Å | ||
| 67 | P | 70.6 | Confident | 81.6 | Confident | 101 Ų | 101 | 41.5 Ų | 41.5 | 66% | 0.656 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -52.1 | -34.1 | 175.6 | -28.4 | 35.4 | 0 | 0 | 0 | 113.7 | E69 H70 Q71 | P67-E69 VanDerWaalsContact C-N 3.29Å; P67-E69 PolarHBondContact O-N 2.96Å; P67-H70 PolarHBondContact O-N 3.44Å; P67-Q71 PolarHBondContact O-N 3.01Å |
| 68 | D | 75.7 | Confident | 81.3 | Confident | 111 Ų | 111 | 43.1 Ų | 43.1 | 59% | 0.594 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.7 | -32.8 | 179.1 | -58 | -24.5 | 0 | 0 | 0 | 112 | H66 H70 Q71 N72 | H66-D68 PolarHBondContact O-N 3.43Å; H66-D68 VanDerWaalsContact O-N 3.12Å; D68-H70 VanDerWaalsContact C-N 3.33Å; D68-H70 PolarHBondContact O-N 3.03Å; D68-Q71 PolarHBondContact O-N 3.38Å; D68-N72 WeakPolarHBondContact O-CB 3.21Å; D68-N72 PolarHBondContact O-N 3.44Å; D68-N72 PolarHBondContact O-ND2 3.46Å; D68-N72 PolarHBondContact O-OD1 3.33Å |
| 69 | E | 75.1 | Confident | 81.2 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | 176.6 | -70.8 | -176 | 134.6 | 0 | 0 | 111.4 | S9 F11 Y62 Q63 M64 H66 P67 Q71 N72 V73 | S9-E69 WeakPolarHBondContact CB-OE1 3.31Å; S9-E69 PolarHBondContact OG-OE1 3.19Å; F11-E69 HydrophobicContact CD2-CG 4.33Å; F11-E69 WeakPolarHBondContact CD2-OE1 3.43Å; F11-E69 HydrophobicContact CE2-CG 4.27Å; Y62-E69 HydrophobicContact CD2-CB 3.52Å; Y62-E69 HydrophobicContact CD2-CG 4.26Å; Y62-E69 WeakPolarHBondContact CD2-OE2 3.36Å; Y62-E69 HydrophobicContact CE2-CB 4.09Å; Y62-E69 HydrophobicContact CG-CB 4.37Å; Q63-E69 PolarHBondContact N-OE2 3.2Å; M64-E69 PolarHBondContact N-OE2 3.39Å; H66-E69 HydrophobicContact CB-CG 4.12Å; H66-E69 WeakPolarHBondContact O-CB 3.38Å; H66-E69 PolarHBondContact O-N 3.37Å; P67-E69 VanDerWaalsContact C-N 3.29Å; P67-E69 PolarHBondContact O-N 2.96Å; E69-Q71 VanDerWaalsContact C-N 3.31Å; E69-Q71 PolarHBondContact O-N 3.22Å; E69-N72 PolarHBondContact O-N 3.16Å; E69-V73 VanDerWaalsContact O-CG2 3.27Å; E69-V73 WeakPolarHBondContact O-CG2 3.35Å; E69-V73 PolarHBondContact O-N 3.2Å |
| 70 | H | 77.4 | Confident | 81.1 | Confident | 45 Ų | 45 | 44.9 Ų | 44.9 | 21% | 0.208 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 177.3 | -67.4 | -68.5 | 0 | 0 | 0 | 111.8 | Y62 P67 D68 R74 | Y62-H70 AromaticContact CE2-CE1 3.74Å; Y62-H70 AromaticContact CE2-ND1 3.65Å; Y62-H70 AromaticContact CZ-ND1 3.79Å; Y62-H70 PolarHBondContact OH-CE1 3.29Å; Y62-H70 PolarHBondContact OH-ND1 2.94Å; P67-H70 PolarHBondContact O-N 3.44Å; D68-H70 VanDerWaalsContact C-N 3.33Å; D68-H70 PolarHBondContact O-N 3.03Å; H70-R74 WeakPolarHBondContact O-CG 3.31Å; H70-R74 PolarHBondContact O-N 2.91Å |
| 71 | Q | 82.8 | Confident | 81.1 | Confident | 108 Ų | 108 | 46.5 Ų | 46.5 | 51% | 0.505 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.7 | -43.3 | 176.5 | -178.1 | 172.2 | -15.4 | 0 | 0 | 111.3 | P67 D68 E69 R74 Q75 | P67-Q71 PolarHBondContact O-N 3.01Å; D68-Q71 PolarHBondContact O-N 3.38Å; E69-Q71 VanDerWaalsContact C-N 3.31Å; E69-Q71 PolarHBondContact O-N 3.22Å; Q71-R74 PolarHBondContact O-N 3.24Å; Q71-Q75 WeakPolarHBondContact O-CG 3.43Å; Q71-Q75 PolarHBondContact O-N 3.33Å |
| 72 | N | 86.5 | Confident | 81.5 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 179.8 | -68.8 | -10.2 | 0 | 0 | 0 | 112 | F42 D68 E69 R74 Q75 L76 | F42-N72 HydrophobicContact CB-CB 3.9Å; F42-N72 HydrophobicContact CD1-CB 4.49Å; F42-N72 HydrophobicContact CD2-CB 4.3Å; F42-N72 HydrophobicContact CG-CB 3.97Å; D68-N72 WeakPolarHBondContact O-CB 3.21Å; D68-N72 PolarHBondContact O-N 3.44Å; D68-N72 PolarHBondContact O-ND2 3.46Å; D68-N72 PolarHBondContact O-OD1 3.33Å; E69-N72 PolarHBondContact O-N 3.16Å; N72-R74 VanDerWaalsContact C-N 3.33Å; N72-R74 PolarHBondContact O-N 2.87Å; N72-Q75 PolarHBondContact O-N 2.89Å; N72-L76 WeakPolarHBondContact O-CB 3.44Å; N72-L76 PolarHBondContact O-N 2.75Å |
| 73 | V | 86.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 173.7 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | F42 F60 Y62 E69 L76 I77 L106 | F42-V73 HydrophobicContact CD1-CG2 4.36Å; F42-V73 HydrophobicContact CE1-CG2 3.49Å; F42-V73 VanDerWaalsContact CE1-CG2 3.49Å; F42-V73 HydrophobicContact CE2-CG2 4.4Å; F42-V73 HydrophobicContact CZ-CG2 3.51Å; F60-V73 HydrophobicContact CD2-CG1 4.08Å; F60-V73 HydrophobicContact CD2-CG2 3.79Å; F60-V73 HydrophobicContact CE1-CG1 4.44Å; F60-V73 HydrophobicContact CE2-CB 4.2Å; F60-V73 HydrophobicContact CE2-CG1 3.36Å; F60-V73 HydrophobicContact CE2-CG2 3.67Å; F60-V73 HydrophobicContact CZ-CG1 3.6Å; Y62-V73 HydrophobicContact CD1-CG2 3.97Å; Y62-V73 HydrophobicContact CE1-CG2 4.02Å; Y62-V73 HydrophobicContact CG-CG2 4.29Å; E69-V73 VanDerWaalsContact O-CG2 3.27Å; E69-V73 WeakPolarHBondContact O-CG2 3.35Å; E69-V73 PolarHBondContact O-N 3.2Å; V73-L76 PolarHBondContact O-N 2.82Å; V73-I77 HydrophobicContact CG1-CD1 3.73Å; V73-I77 HydrophobicContact CG1-CG1 4.44Å; V73-I77 WeakPolarHBondContact O-CG1 3.27Å; V73-I77 PolarHBondContact O-N 3.22Å; V73-L106 HydrophobicContact CG1-CD1 3.79Å |
| 74 | R | 87.4 | Confident | 83.3 | Confident | 88 Ų | 88 | 50.5 Ų | 50.5 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 178.1 | -73.7 | 174.5 | 178.1 | 157.8 | 3.6 | 112.3 | H70 Q71 N72 L76 G78 D103 L109 | H70-R74 WeakPolarHBondContact O-CG 3.31Å; H70-R74 PolarHBondContact O-N 2.91Å; Q71-R74 PolarHBondContact O-N 3.24Å; N72-R74 VanDerWaalsContact C-N 3.33Å; N72-R74 PolarHBondContact O-N 2.87Å; R74-L76 VanDerWaalsContact C-N 3.35Å; R74-G78 PolarHBondContact O-N 3.06Å; R74-D103 IonicContact CZ-OD2 3.62Å; R74-D103 IonicContact NH2-OD1 3.24Å; R74-D103 PolarHBondContact NH2-OD1 3.32Å; R74-D103 IonicContact NH2-OD2 3.69Å; R74-D103 PolarHBondContact NH2-OD2 3.27Å; R74-L109 HydrophobicContact CG-CD1 4.3Å |
| 75 | Q | 90.2 | Very high | 84.2 | Confident | 94 Ų | 94 | 53.5 Ų | 53.5 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 176 | -72.7 | -179.6 | -8.2 | 0 | 0 | 111.5 | F46 Q71 N72 K79 | F46-Q75 HydrophobicContact CE2-CB 4.48Å; Q71-Q75 WeakPolarHBondContact O-CG 3.43Å; Q71-Q75 PolarHBondContact O-N 3.33Å; N72-Q75 PolarHBondContact O-N 2.89Å; Q75-K79 VanDerWaalsContact O-CB 3.31Å; Q75-K79 WeakPolarHBondContact O-CB 3.19Å; Q75-K79 PolarHBondContact O-N 2.94Å |
| 76 | L | 91.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -52.4 | 176.3 | -175.8 | 78.1 | 0 | 0 | 0 | 111.8 | V7 F42 G45 F46 L49 L58 N72 V73 R74 K79 L80 | V7-L76 HydrophobicContact CB-CD2 4.18Å; V7-L76 HydrophobicContact CG1-CD2 4.18Å; V7-L76 HydrophobicContact CG2-CD2 3.93Å; F42-L76 HydrophobicContact CD1-CD2 4.04Å; F42-L76 HydrophobicContact CE1-CD2 4.23Å; G45-L76 VanDerWaalsContact C-CD1 3.42Å; F46-L76 HydrophobicContact CB-CD1 4.27Å; L49-L76 HydrophobicContact CD1-CD1 3.57Å; L49-L76 HydrophobicContact CD1-CG 3.91Å; L49-L76 WeakPolarHBondContact CD1-O 3.36Å; L49-L76 HydrophobicContact CG-CD1 4.4Å; L58-L76 HydrophobicContact CD1-CD2 4.23Å; L58-L76 HydrophobicContact CD2-CD2 4.06Å; L58-L76 HydrophobicContact CD2-CG 4.36Å; N72-L76 WeakPolarHBondContact O-CB 3.44Å; N72-L76 PolarHBondContact O-N 2.75Å; V73-L76 PolarHBondContact O-N 2.82Å; R74-L76 VanDerWaalsContact C-N 3.35Å; L76-K79 PolarHBondContact O-N 3Å; L76-L80 PolarHBondContact O-N 3.38Å |
| 77 | I | 91.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 179.7 | -61.4 | 168.6 | 0 | 0 | 0 | 110.5 | L58 F60 V73 K79 L80 H81 V89 L109 | L58-I77 HydrophobicContact CD2-CG1 4.2Å; F60-I77 HydrophobicContact CE1-CD1 4.11Å; F60-I77 HydrophobicContact CZ-CD1 4.23Å; V73-I77 HydrophobicContact CG1-CD1 3.73Å; V73-I77 HydrophobicContact CG1-CG1 4.44Å; V73-I77 WeakPolarHBondContact O-CG1 3.27Å; V73-I77 PolarHBondContact O-N 3.22Å; I77-K79 VanDerWaalsContact C-N 3.3Å; I77-K79 PolarHBondContact O-N 2.95Å; I77-L80 WeakPolarHBondContact O-CB 3.33Å; I77-L80 PolarHBondContact O-N 3.21Å; I77-H81 WeakPolarHBondContact CG2-CE1 3.49Å; I77-H81 PolarHBondContact O-N 3.43Å; I77-V89 HydrophobicContact CD1-CG1 4.02Å; I77-V89 HydrophobicContact CG1-CG1 4.26Å; I77-V89 HydrophobicContact CG2-CG2 4.43Å; I77-L109 HydrophobicContact CD1-CB 4.03Å; I77-L109 HydrophobicContact CG2-CB 4.13Å; I77-L109 HydrophobicContact CG2-CD2 4.02Å; I77-L109 HydrophobicContact CG2-CG 4.46Å |
| 78 | G | 91.1 | Very high | 87.7 | Confident | 34 Ų | 34 | 45.5 Ų | 45.5 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56 | -45.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | R74 L80 H81 E82 | R74-G78 PolarHBondContact O-N 3.06Å; G78-L80 PolarHBondContact O-N 3.38Å; G78-H81 PolarHBondContact O-N 3.04Å; G78-E82 PolarHBondContact O-N 2.8Å |
| 79 | K | 92.7 | Very high | 88.6 | Confident | 35 Ų | 35 | 40.2 Ų | 40.2 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 177.8 | -172.2 | 59.4 | -179.5 | 172.5 | 0 | 112.9 | F46 L49 S50 Q75 L76 I77 E82 | F46-K79 HydrophobicContact CD2-CB 3.96Å; F46-K79 HydrophobicContact CD2-CG 4.16Å; F46-K79 HydrophobicContact CE2-CB 3.58Å; F46-K79 HydrophobicContact CE2-CD 4.18Å; F46-K79 HydrophobicContact CE2-CG 3.78Å; F46-K79 HydrophobicContact CZ-CB 4.26Å; F46-K79 HydrophobicContact CZ-CD 3.99Å; F46-K79 HydrophobicContact CZ-CG 4Å; L49-K79 HydrophobicContact CB-CG 4.08Å; S50-K79 VanDerWaalsContact OG-CE 3.31Å; S50-K79 WeakPolarHBondContact OG-CE 3.37Å; Q75-K79 VanDerWaalsContact O-CB 3.31Å; Q75-K79 WeakPolarHBondContact O-CB 3.19Å; Q75-K79 PolarHBondContact O-N 2.94Å; L76-K79 PolarHBondContact O-N 3Å; I77-K79 VanDerWaalsContact C-N 3.3Å; I77-K79 PolarHBondContact O-N 2.95Å; K79-E82 WeakPolarHBondContact CD-OE2 3.41Å; K79-E82 IonicContact NZ-OE1 3.27Å; K79-E82 IonicContact NZ-OE2 3.99Å; K79-E82 PolarHBondContact NZ-OE2 3.25Å |
| 80 | L | 92.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.2 | -50.5 | 172.9 | 178.1 | 64.1 | 0 | 0 | 0 | 110.9 | L49 I55 L58 L76 I77 G78 E82 R83 Q84 V87 V89 | L49-L80 HydrophobicContact CD1-CB 3.92Å; L49-L80 HydrophobicContact CD2-CD1 3.83Å; I55-L80 HydrophobicContact CD1-CD1 3.77Å; I55-L80 HydrophobicContact CG1-CD1 4Å; L58-L80 HydrophobicContact CB-CD2 3.89Å; L58-L80 HydrophobicContact CD2-CD2 3.83Å; L76-L80 PolarHBondContact O-N 3.38Å; I77-L80 WeakPolarHBondContact O-CB 3.33Å; I77-L80 PolarHBondContact O-N 3.21Å; G78-L80 PolarHBondContact O-N 3.38Å; L80-E82 PolarHBondContact O-N 3.22Å; L80-R83 PolarHBondContact O-N 2.67Å; L80-Q84 HydrophobicContact CD1-CB 3.93Å; L80-Q84 WeakPolarHBondContact O-CA 3.31Å; L80-Q84 PolarHBondContact O-N 3.39Å; L80-V87 HydrophobicContact CD1-CB 4.24Å; L80-V87 HydrophobicContact CD1-CG1 4.28Å; L80-V87 HydrophobicContact CD1-CG2 4.4Å; L80-V87 HydrophobicContact CD2-CB 4Å; L80-V87 HydrophobicContact CD2-CG1 3.91Å; L80-V87 HydrophobicContact CG-CB 4.32Å; L80-V89 HydrophobicContact CD2-CG2 3.98Å |
| 81 | H | 90.8 | Very high | 90 | Very high | 35 Ų | 35 | 38 Ų | 38 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.2 | -8.6 | -172.9 | -65.8 | 171.4 | 0 | 0 | 0 | 114.6 | I77 G78 R83 N442 | I77-H81 WeakPolarHBondContact CG2-CE1 3.49Å; I77-H81 PolarHBondContact O-N 3.43Å; G78-H81 PolarHBondContact O-N 3.04Å; H81-R83 VanDerWaalsContact C-N 3.29Å; H81-R83 PolarHBondContact O-N 2.96Å; H81-N442 PolarHBondContact O-ND2 3.02Å |
| 82 | E | 90.1 | Very high | 90.2 | Very high | 75 Ų | 75 | 32.9 Ų | 32.9 | 35% | 0.35 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -37.8 | 169 | -74.8 | 176.6 | -168.9 | 0 | 0 | 112 | G78 K79 L80 N442 S443 S446 | G78-E82 PolarHBondContact O-N 2.8Å; K79-E82 WeakPolarHBondContact CD-OE2 3.41Å; K79-E82 IonicContact NZ-OE1 3.27Å; K79-E82 IonicContact NZ-OE2 3.99Å; K79-E82 PolarHBondContact NZ-OE2 3.25Å; L80-E82 PolarHBondContact O-N 3.22Å; E82-N442 CarbonylContact O-C 3.48Å; E82-N442 VanDerWaalsContact O-C 3.23Å; E82-S443 WeakPolarHBondContact O-CA 3.38Å; E82-S443 PolarHBondContact O-N 3.5Å; E82-S446 WeakPolarHBondContact O-CB 3.18Å |
| 83 | R | 87 | Confident | 89.8 | Confident | 52 Ų | 52 | 31.3 Ų | 31.3 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -26.4 | -177.7 | -67.3 | -172.6 | 179.4 | -160.2 | 5.5 | 113.9 | N52 L80 H81 S446 E450 | N52-R83 VanDerWaalsContact CG-CZ 3.43Å; N52-R83 PolarHBondContact ND2-NH1 2.89Å; N52-R83 WeakPolarHBondContact OD1-CD 3.33Å; N52-R83 PolarHBondContact OD1-NE 3.21Å; N52-R83 VanDerWaalsContact OD1-NE 3.13Å; N52-R83 PolarHBondContact OD1-NH1 3.21Å; L80-R83 PolarHBondContact O-N 2.67Å; H81-R83 VanDerWaalsContact C-N 3.29Å; H81-R83 PolarHBondContact O-N 2.96Å; R83-S446 WeakPolarHBondContact CG-OG 2.98Å; R83-S446 PolarHBondContact NE-OG 3.35Å; R83-E450 IonicContact CZ-OE1 2.97Å; R83-E450 IonicContact CZ-OE2 3.67Å; R83-E450 IonicContact NH1-OE1 3.66Å; R83-E450 IonicContact NH2-OE1 3.26Å; R83-E450 PolarHBondContact NH2-OE1 2.95Å; R83-E450 IonicContact NH2-OE2 3.9Å; R83-E450 PolarHBondContact NH2-OE2 2.9Å |
| 84 | Q | 89.8 | Confident | 89.1 | Confident | 25 Ų | 25 | 34.5 Ų | 34.5 | 12% | 0.117 | 17% | 0.173 | C | C | . | . | trans | -128 | 56.9 | -172 | -52.5 | -177.8 | 53.5 | 0 | 0 | 110.1 | E53 I55 L80 N86 V87 | E53-Q84 PolarHBondContact O-NE2 2.8Å; I55-Q84 VanDerWaalsContact N-OE1 3.12Å; I55-Q84 PolarHBondContact O-OE1 3.23Å; I55-Q84 VanDerWaalsContact O-OE1 3.09Å; L80-Q84 HydrophobicContact CD1-CB 3.93Å; L80-Q84 WeakPolarHBondContact O-CA 3.31Å; L80-Q84 PolarHBondContact O-N 3.39Å; Q84-N86 PolarHBondContact O-N 2.9Å; Q84-V87 HydrophobicContact CB-CB 4.41Å; Q84-V87 HydrophobicContact CB-CG2 3.54Å; Q84-V87 HydrophobicContact CG-CG2 4.49Å; Q84-V87 PolarHBondContact O-N 3.24Å; Q84-V87 VanDerWaalsContact O-N 3.16Å | ||
| 85 | Q | 85.4 | Confident | 88.3 | Confident | 90 Ų | 90 | 36.1 Ų | 36.1 | 42% | 0.421 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -29.3 | -168.9 | -175.4 | 175 | -9.7 | 0 | 0 | 115.7 | ||
| 86 | N | 88.4 | Confident | 87.2 | Confident | 106 Ų | 106 | 39.4 Ų | 39.4 | 57% | 0.567 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 15.2 | -173.8 | -58.4 | -39 | 0 | 0 | 0 | 113.2 | Q84 Y135 | Q84-N86 PolarHBondContact O-N 2.9Å; N86-Y135 HydrophobicContact CB-CD2 4.26Å; N86-Y135 HydrophobicContact CB-CE2 4.24Å; N86-Y135 WeakPolarHBondContact O-CD2 3.31Å |
| 87 | V | 93.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -66.4 | 127.8 | 176 | 166.1 | 0 | 0 | 0 | 0 | 109 | I55 L80 Q84 V89 Y135 | I55-V87 HydrophobicContact CD1-CG1 4.37Å; I55-V87 HydrophobicContact CG1-CG1 4.24Å; I55-V87 WeakPolarHBondContact O-CG2 3.5Å; L80-V87 HydrophobicContact CD1-CB 4.24Å; L80-V87 HydrophobicContact CD1-CG1 4.28Å; L80-V87 HydrophobicContact CD1-CG2 4.4Å; L80-V87 HydrophobicContact CD2-CB 4Å; L80-V87 HydrophobicContact CD2-CG1 3.91Å; L80-V87 HydrophobicContact CG-CB 4.32Å; Q84-V87 HydrophobicContact CB-CB 4.41Å; Q84-V87 HydrophobicContact CB-CG2 3.54Å; Q84-V87 HydrophobicContact CG-CG2 4.49Å; Q84-V87 PolarHBondContact O-N 3.24Å; Q84-V87 VanDerWaalsContact O-N 3.16Å; V87-V89 PolarHBondContact O-N 3.01Å; V87-Y135 HydrophobicContact CG2-CE1 3.76Å; V87-Y135 HydrophobicContact CG2-CE2 3.95Å; V87-Y135 VanDerWaalsContact CG2-CZ 3.42Å; V87-Y135 WeakPolarHBondContact CG2-OH 3.45Å | ||
| 88 | P | 95.1 | Very high | 84.6 | Confident | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.071 | 21% | 0.214 | C | C | . | . | trans | -64.7 | 128.7 | -179.5 | 24.8 | -34.7 | 0 | 0 | 0 | 111.9 | D56 C57 L58 F90 D111 A131 | D56-P88 WeakPolarHBondContact O-CD 3.32Å; D56-P88 WeakPolarHBondContact O-CG 3.43Å; C57-P88 WeakPolarHBondContact CA-O 3.48Å; C57-P88 HydrophobicContact CB-CG 4.13Å; C57-P88 PolarHBondContact SG-O 3.31Å; C57-P88 VanDerWaalsContact SG-O 3.35Å; L58-P88 PolarHBondContact N-O 2.97Å; P88-F90 HydrophobicContact CB-CE2 4.16Å; P88-D111 VanDerWaalsContact CA-OD2 3.28Å; P88-D111 WeakPolarHBondContact CA-OD2 3.4Å; P88-A131 HydrophobicContact CB-CB 3.94Å; P88-A131 HydrophobicContact CG-CB 4.05Å | ||
| 89 | V | 95 | Very high | 83.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.9 | -179.3 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | L58 F60 I77 L80 V87 V110 D111 E112 | L58-V89 HydrophobicContact CB-CG2 4.42Å; L58-V89 HydrophobicContact CD2-CG1 4.41Å; L58-V89 HydrophobicContact CD2-CG2 4.45Å; L58-V89 CarbonylContact O-C 2.9Å; L58-V89 WeakPolarHBondContact O-CA 3.48Å; F60-V89 HydrophobicContact CD1-CG1 4.08Å; F60-V89 HydrophobicContact CE1-CG1 3.58Å; I77-V89 HydrophobicContact CD1-CG1 4.02Å; I77-V89 HydrophobicContact CG1-CG1 4.26Å; I77-V89 HydrophobicContact CG2-CG2 4.43Å; L80-V89 HydrophobicContact CD2-CG2 3.98Å; V87-V89 PolarHBondContact O-N 3.01Å; V89-V110 HydrophobicContact CG1-CG2 4.29Å; V89-D111 PolarHBondContact N-OD2 2.85Å; V89-D111 PolarHBondContact O-N 2.96Å; V89-E112 PolarHBondContact O-N 2.91Å; V89-E112 VanDerWaalsContact O-N 3.16Å |
| 90 | F | 93.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.6 | 179.4 | -78.9 | -118 | 0 | 0 | 0 | 111 | C57 L58 M59 F60 P88 E112 A114 R127 A128 A131 | C57-F90 VanDerWaalsContact SG-CD2 3.56Å; L58-F90 PolarHBondContact O-N 3.26Å; M59-F90 WeakPolarHBondContact CA-O 3.39Å; M59-F90 HydrophobicContact CB-CB 4.4Å; M59-F90 HydrophobicContact CE-CG 4.49Å; M59-F90 HydrophobicContact CG-CB 4.02Å; F60-F90 WeakPolarHBondContact CD1-O 3.25Å; F60-F90 PolarHBondContact N-O 3.45Å; P88-F90 HydrophobicContact CB-CE2 4.16Å; F90-E112 WeakPolarHBondContact CA-O 3.37Å; F90-E112 HydrophobicContact CD1-CB 3.69Å; F90-E112 HydrophobicContact CD2-CB 4.04Å; F90-E112 HydrophobicContact CE1-CB 3.56Å; F90-E112 HydrophobicContact CE1-CG 4.02Å; F90-E112 HydrophobicContact CE2-CB 3.91Å; F90-E112 HydrophobicContact CE2-CG 4.03Å; F90-E112 HydrophobicContact CG-CB 3.93Å; F90-E112 HydrophobicContact CZ-CB 3.67Å; F90-E112 HydrophobicContact CZ-CG 3.7Å; F90-A114 HydrophobicContact CD1-CB 4.34Å; F90-R127 HydrophobicContact CE1-CB 4.38Å; F90-A128 HydrophobicContact CZ-CB 4.34Å; F90-A131 HydrophobicContact CE2-CB 3.88Å; F90-A131 HydrophobicContact CZ-CB 4Å |
| 91 | L | 88.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.9 | 167.2 | 179 | 67.8 | 0 | 0 | 0 | 110.3 | F60 Y62 M64 A98 M102 V110 E112 F113 A114 | F60-L91 HydrophobicContact CD2-CD1 3.88Å; F60-L91 HydrophobicContact CE1-CB 4.41Å; F60-L91 HydrophobicContact CE1-CD1 4.35Å; F60-L91 HydrophobicContact CE2-CD1 3.32Å; F60-L91 HydrophobicContact CZ-CB 4.21Å; F60-L91 HydrophobicContact CZ-CD1 3.59Å; F60-L91 HydrophobicContact CZ-CG 4.47Å; Y62-L91 HydrophobicContact CD1-CD1 3.99Å; Y62-L91 HydrophobicContact CE1-CD1 3.71Å; M64-L91 HydrophobicContact CE-CD1 4.19Å; M64-L91 HydrophobicContact CE-CD2 3.7Å; L91-A98 HydrophobicContact CD2-CB 4.33Å; L91-M102 HydrophobicContact CD2-CE 3.89Å; L91-V110 HydrophobicContact CB-CG1 3.96Å; L91-E112 PolarHBondContact N-O 3.33Å; L91-F113 HydrophobicContact CB-CD1 4.02Å; L91-F113 HydrophobicContact CB-CE1 4.09Å; L91-F113 HydrophobicContact CD2-CD1 3.83Å; L91-F113 HydrophobicContact CD2-CE1 3.56Å; L91-F113 HydrophobicContact CG-CD1 4.4Å; L91-F113 HydrophobicContact CG-CE1 4.43Å; L91-A114 PolarHBondContact O-N 3.43Å |
| 92 | L | 86.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 108.4 | 173.5 | -52.3 | -174.3 | 0 | 0 | 0 | 109.1 | I6 V22 L25 M59 F60 S61 A114 I116 | I6-L92 HydrophobicContact CG2-CD1 4.32Å; V22-L92 HydrophobicContact CG2-CD1 4.38Å; L25-L92 HydrophobicContact CD2-CD1 4.04Å; L25-L92 HydrophobicContact CD2-CD2 3.97Å; M59-L92 HydrophobicContact CB-CD1 3.96Å; M59-L92 HydrophobicContact CB-CD2 4.31Å; M59-L92 HydrophobicContact CB-CG 4.08Å; M59-L92 HydrophobicContact SD-CD2 4.34Å; F60-L92 WeakPolarHBondContact O-CB 3.42Å; F60-L92 PolarHBondContact O-N 3.24Å; S61-L92 WeakPolarHBondContact CA-O 3.35Å; S61-L92 WeakPolarHBondContact CB-O 3.4Å; S61-L92 PolarHBondContact OG-O 3.45Å; L92-A114 HydrophobicContact CD2-CB 3.77Å; L92-I116 HydrophobicContact CB-CD1 4.42Å; L92-I116 HydrophobicContact CB-CG2 3.88Å; L92-I116 HydrophobicContact CD2-CG2 3.94Å; L92-I116 HydrophobicContact CG-CG2 4.32Å |
| 93 | G | 78.2 | Confident | 79 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 170.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A114 | G93-A114 PolarHBondContact N-O 2.66Å |
| 94 | D | 71.4 | Confident | 78.7 | Confident | 67 Ų | 67 | 57.3 Ų | 57.3 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | trans | -82.7 | 135 | 163.5 | -177.6 | 12.4 | 0 | 0 | 0 | 109.2 | E96 K97 A98 | D94-E96 PolarHBondContact O-N 2.95Å; D94-K97 PolarHBondContact O-N 3.43Å; D94-A98 WeakPolarHBondContact O-CB 3.23Å; D94-A98 PolarHBondContact O-N 2.89Å | ||
| 95 | R | 70.4 | Confident | 78.2 | Confident | 122 Ų | 122 | 60.4 Ų | 60.4 | 46% | 0.46 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | -170.3 | -178.1 | 178.6 | 174.2 | 176.7 | -1.2 | 112.9 | L99 W115 E118 | R95-L99 HydrophobicContact CG-CD1 3.87Å; R95-L99 WeakPolarHBondContact O-CB 3.39Å; R95-L99 WeakPolarHBondContact O-CD1 3.34Å; R95-L99 VanDerWaalsContact O-CG 3.3Å; R95-L99 WeakPolarHBondContact O-CG 3.34Å; R95-L99 PolarHBondContact O-N 3.45Å; R95-W115 VanDerWaalsContact CA-CZ3 3.45Å; R95-W115 HydrophobicContact CB-CD2 4.04Å; R95-W115 HydrophobicContact CB-CE3 3.87Å; R95-W115 HydrophobicContact CB-CZ3 4.16Å; R95-W115 HydrophobicContact CG-CD2 4.36Å; R95-W115 HydrophobicContact CG-CE3 4.47Å; R95-W115 HydrophobicContact CG-CH2 4.39Å; R95-W115 HydrophobicContact CG-CZ2 4.25Å; R95-E118 WeakPolarHBondContact CB-OE1 3.22Å; R95-E118 VanDerWaalsContact CD-OE1 3.23Å; R95-E118 WeakPolarHBondContact CD-OE1 3.42Å; R95-E118 IonicContact NH1-OE2 2.65Å |
| 96 | E | 66.8 | Low | 77.9 | Confident | 163 Ų | 163 | 56.3 Ų | 56.3 | 76% | 0.762 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -68.3 | -43.2 | -177.4 | -70.2 | -169.5 | 165.4 | 0 | 0 | 111.9 | D94 A100 | D94-E96 PolarHBondContact O-N 2.95Å; E96-A100 PolarHBondContact O-N 3.2Å |
| 97 | K | 65.7 | Low | 77.6 | Confident | 95 Ų | 95 | 55.4 Ų | 55.4 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.3 | -44.3 | 178.9 | -67.9 | -165.3 | 177.6 | -166.2 | 0 | 111.7 | E65 D94 A100 A101 | E65-K97 IonicContact OE1-NZ 3.39Å; E65-K97 PolarHBondContact OE1-NZ 2.59Å; D94-K97 PolarHBondContact O-N 3.43Å; K97-A100 PolarHBondContact O-N 3.27Å; K97-A101 PolarHBondContact O-N 3.12Å |
| 98 | A | 64.8 | Low | 77.2 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.2 | -54.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M64 L91 D94 A100 A101 M102 W115 | M64-A98 HydrophobicContact CE-CB 4.11Å; M64-A98 VanDerWaalsContact SD-CA 3.58Å; L91-A98 HydrophobicContact CD2-CB 4.33Å; D94-A98 WeakPolarHBondContact O-CB 3.23Å; D94-A98 PolarHBondContact O-N 2.89Å; A98-A100 PolarHBondContact O-N 2.95Å; A98-A100 VanDerWaalsContact O-N 3.14Å; A98-A101 PolarHBondContact O-N 2.78Å; A98-M102 WeakPolarHBondContact O-CG 3.48Å; A98-M102 PolarHBondContact O-N 3.4Å; A98-W115 HydrophobicContact CB-CH2 3.83Å; A98-W115 HydrophobicContact CB-CZ3 3.53Å |
| 99 | L | 66.9 | Low | 76.7 | Confident | 112 Ų | 112 | 63.2 Ų | 63.2 | 59% | 0.586 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.1 | -26.8 | -176.1 | -71.5 | 169.6 | 0 | 0 | 0 | 113.9 | R95 | R95-L99 HydrophobicContact CG-CD1 3.87Å; R95-L99 WeakPolarHBondContact O-CB 3.39Å; R95-L99 WeakPolarHBondContact O-CD1 3.34Å; R95-L99 VanDerWaalsContact O-CG 3.3Å; R95-L99 WeakPolarHBondContact O-CG 3.34Å; R95-L99 PolarHBondContact O-N 3.45Å |
| 100 | A | 63.4 | Low | 76.4 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 75% | 0.752 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -80.2 | -27 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | E96 K97 A98 | E96-A100 PolarHBondContact O-N 3.2Å; K97-A100 PolarHBondContact O-N 3.27Å; A98-A100 PolarHBondContact O-N 2.95Å; A98-A100 VanDerWaalsContact O-N 3.14Å |
| 101 | A | 62.8 | Low | 76.1 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -112.1 | 1.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M64 K97 A98 D103 | M64-A101 HydrophobicContact CB-CB 4Å; M64-A101 HydrophobicContact CG-CB 4.45Å; M64-A101 HydrophobicContact SD-CB 3.65Å; K97-A101 PolarHBondContact O-N 3.12Å; A98-A101 PolarHBondContact O-N 2.78Å; A101-D103 PolarHBondContact O-N 3.1Å |
| 102 | M | 69.3 | Low | 76.2 | Confident | 37 Ų | 37 | 71.3 Ų | 71.3 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | trans | -73.6 | 122.4 | 175.6 | -51.3 | -142.7 | 78.9 | 0 | 0 | 111.1 | L91 A98 L106 L107 F113 | L91-M102 HydrophobicContact CD2-CE 3.89Å; A98-M102 WeakPolarHBondContact O-CG 3.48Å; A98-M102 PolarHBondContact O-N 3.4Å; M102-L106 HydrophobicContact CE-CD2 3.62Å; M102-L106 HydrophobicContact CE-CG 3.87Å; M102-L107 HydrophobicContact CB-CD1 4.39Å; M102-L107 HydrophobicContact CB-CG 4.27Å; M102-L107 HydrophobicContact CE-CD2 4.08Å; M102-L107 HydrophobicContact CE-CG 4.34Å; M102-L107 HydrophobicContact SD-CD2 3.73Å; M102-L107 HydrophobicContact SD-CG 4.29Å; M102-F113 HydrophobicContact CE-CE1 3.31Å; M102-F113 HydrophobicContact CE-CZ 3.48Å; M102-F113 VanDerWaalsContact CE-CZ 3.48Å; M102-F113 HydrophobicContact SD-CD1 4.29Å; M102-F113 HydrophobicContact SD-CE1 3.23Å; M102-F113 WeakPolarHBondContact SD-CE1 3.46Å; M102-F113 HydrophobicContact SD-CZ 3.4Å; M102-F113 WeakPolarHBondContact SD-CZ 3.5Å | ||
| 103 | D | 75.8 | Confident | 76.2 | Confident | 65 Ų | 65 | 73.5 Ų | 73.5 | 35% | 0.348 | 37% | 0.371 | S | S | . | . | trans | -97.5 | 169.3 | 160.3 | 62 | 26.6 | 0 | 0 | 0 | 111.6 | R74 A101 D105 L106 L107 | R74-D103 IonicContact CZ-OD2 3.62Å; R74-D103 IonicContact NH2-OD1 3.24Å; R74-D103 PolarHBondContact NH2-OD1 3.32Å; R74-D103 IonicContact NH2-OD2 3.69Å; R74-D103 PolarHBondContact NH2-OD2 3.27Å; A101-D103 PolarHBondContact O-N 3.1Å; D103-D105 PolarHBondContact O-N 3.01Å; D103-D105 PolarHBondContact OD1-N 3.41Å; D103-L106 PolarHBondContact O-N 3.05Å; D103-L106 PolarHBondContact OD1-N 3.06Å; D103-L107 PolarHBondContact O-N 3.45Å; D103-L107 VanDerWaalsContact O-N 3.16Å | ||
| 104 | R | 82 | Confident | 76.5 | Confident | 177 Ų | 177 | 73.1 Ų | 73.1 | 67% | 0.668 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -55.3 | -42.1 | -179.6 | 177.3 | -176.5 | 168.7 | -164.7 | -9.9 | 111.6 | L106 L107 E108 | R104-L106 VanDerWaalsContact C-N 3.34Å; R104-L106 PolarHBondContact O-N 2.77Å; R104-L107 WeakPolarHBondContact O-CB 3.18Å; R104-L107 PolarHBondContact O-N 3.15Å; R104-E108 IonicContact CZ-OE1 2.66Å; R104-E108 VanDerWaalsContact CZ-OE1 3.3Å; R104-E108 IonicContact NE-OE1 2.71Å; R104-E108 PolarHBondContact NE-OE1 3.26Å; R104-E108 IonicContact NH2-OE1 3.04Å; R104-E108 PolarHBondContact NH2-OE1 2.94Å; R104-E108 PolarHBondContact O-N 3.19Å |
| 105 | D | 79.3 | Confident | 77.2 | Confident | 89 Ų | 89 | 72.1 Ų | 72.1 | 48% | 0.476 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | -174.7 | -60.2 | -14.9 | 0 | 0 | 0 | 110.8 | D103 E108 L109 | D103-D105 PolarHBondContact O-N 3.01Å; D103-D105 PolarHBondContact OD1-N 3.41Å; D105-E108 PolarHBondContact O-N 3.46Å; D105-L109 WeakPolarHBondContact O-CG 3.43Å |
| 106 | L | 79.1 | Confident | 77.9 | Confident | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 174.4 | -175 | 63.5 | 0 | 0 | 0 | 112.3 | F60 Y62 V73 M102 D103 R104 E108 L109 V110 | F60-L106 HydrophobicContact CZ-CD1 4.45Å; Y62-L106 VanDerWaalsContact OH-CD2 3.28Å; Y62-L106 WeakPolarHBondContact OH-CD2 3.23Å; V73-L106 HydrophobicContact CG1-CD1 3.79Å; M102-L106 HydrophobicContact CE-CD2 3.62Å; M102-L106 HydrophobicContact CE-CG 3.87Å; D103-L106 PolarHBondContact O-N 3.05Å; D103-L106 PolarHBondContact OD1-N 3.06Å; R104-L106 VanDerWaalsContact C-N 3.34Å; R104-L106 PolarHBondContact O-N 2.77Å; L106-E108 VanDerWaalsContact C-N 3.28Å; L106-E108 PolarHBondContact O-N 2.9Å; L106-L109 PolarHBondContact O-N 2.91Å; L106-L109 VanDerWaalsContact O-N 3.11Å; L106-V110 HydrophobicContact CD1-CG2 4.07Å; L106-V110 HydrophobicContact CG-CG2 4.31Å; L106-V110 WeakPolarHBondContact O-CG2 3.44Å; L106-V110 PolarHBondContact O-N 2.82Å |
| 107 | L | 81.5 | Confident | 78.6 | Confident | 88 Ų | 88 | 62.4 Ų | 62.4 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.7 | -30.5 | 177.3 | -76.7 | 165.2 | 0 | 0 | 0 | 113.1 | M102 D103 R104 L109 F113 | M102-L107 HydrophobicContact CB-CD1 4.39Å; M102-L107 HydrophobicContact CB-CG 4.27Å; M102-L107 HydrophobicContact CE-CD2 4.08Å; M102-L107 HydrophobicContact CE-CG 4.34Å; M102-L107 HydrophobicContact SD-CD2 3.73Å; M102-L107 HydrophobicContact SD-CG 4.29Å; D103-L107 PolarHBondContact O-N 3.45Å; D103-L107 VanDerWaalsContact O-N 3.16Å; R104-L107 WeakPolarHBondContact O-CB 3.18Å; R104-L107 PolarHBondContact O-N 3.15Å; L107-L109 VanDerWaalsContact C-N 3.26Å; L107-F113 HydrophobicContact CD2-CE2 4.06Å; L107-F113 HydrophobicContact CD2-CZ 3.68Å |
| 108 | E | 85.2 | Confident | 79.6 | Confident | 127 Ų | 127 | 63 Ų | 63 | 59% | 0.593 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -75.2 | -16.6 | 174.7 | -71.1 | -179.3 | -172.1 | 0 | 0 | 112.5 | R104 D105 L106 | R104-E108 IonicContact CZ-OE1 2.66Å; R104-E108 VanDerWaalsContact CZ-OE1 3.3Å; R104-E108 IonicContact NE-OE1 2.71Å; R104-E108 PolarHBondContact NE-OE1 3.26Å; R104-E108 IonicContact NH2-OE1 3.04Å; R104-E108 PolarHBondContact NH2-OE1 2.94Å; R104-E108 PolarHBondContact O-N 3.19Å; D105-E108 PolarHBondContact O-N 3.46Å; L106-E108 VanDerWaalsContact C-N 3.28Å; L106-E108 PolarHBondContact O-N 2.9Å |
| 109 | L | 84.6 | Confident | 80.7 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -99.8 | -14 | -178 | -69.3 | 176.9 | 0 | 0 | 0 | 114.4 | R74 I77 D105 L106 L107 | R74-L109 HydrophobicContact CG-CD1 4.3Å; I77-L109 HydrophobicContact CD1-CB 4.03Å; I77-L109 HydrophobicContact CG2-CB 4.13Å; I77-L109 HydrophobicContact CG2-CD2 4.02Å; I77-L109 HydrophobicContact CG2-CG 4.46Å; D105-L109 WeakPolarHBondContact O-CG 3.43Å; L106-L109 PolarHBondContact O-N 2.91Å; L106-L109 VanDerWaalsContact O-N 3.11Å; L107-L109 VanDerWaalsContact C-N 3.26Å |
| 110 | V | 87.2 | Confident | 81.8 | Confident | 11 Ų | 11 | 64.3 Ų | 64.3 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | trans | -111.3 | 123.8 | -176.9 | 176 | 0 | 0 | 0 | 0 | 109.5 | F60 V89 L91 L106 E112 F113 | F60-V110 HydrophobicContact CE1-CG2 4.1Å; F60-V110 HydrophobicContact CZ-CG2 3.94Å; V89-V110 HydrophobicContact CG1-CG2 4.29Å; L91-V110 HydrophobicContact CB-CG1 3.96Å; L106-V110 HydrophobicContact CD1-CG2 4.07Å; L106-V110 HydrophobicContact CG-CG2 4.31Å; L106-V110 WeakPolarHBondContact O-CG2 3.44Å; L106-V110 PolarHBondContact O-N 2.82Å; V110-E112 VanDerWaalsContact CG1-O 3.27Å; V110-E112 WeakPolarHBondContact CG1-O 2.99Å; V110-F113 HydrophobicContact CB-CZ 4.42Å; V110-F113 HydrophobicContact CG1-CE1 4.19Å; V110-F113 HydrophobicContact CG1-CE2 4.39Å; V110-F113 HydrophobicContact CG1-CZ 4.02Å | ||
| 111 | D | 89.3 | Confident | 83.2 | Confident | 100 Ų | 100 | 61.1 Ų | 61.1 | 54% | 0.535 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -80 | -36.3 | 178.8 | -61.7 | -79 | 0 | 0 | 0 | 112.5 | P88 V89 | P88-D111 VanDerWaalsContact CA-OD2 3.28Å; P88-D111 WeakPolarHBondContact CA-OD2 3.4Å; V89-D111 PolarHBondContact N-OD2 2.85Å; V89-D111 PolarHBondContact O-N 2.96Å |
| 112 | E | 89 | Confident | 84.7 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 28% | 0.28 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 147 | -170.8 | -71.4 | -76.5 | -167.1 | 0 | 0 | 113.1 | V89 F90 L91 V110 R127 | V89-E112 PolarHBondContact O-N 2.91Å; V89-E112 VanDerWaalsContact O-N 3.16Å; F90-E112 WeakPolarHBondContact CA-O 3.37Å; F90-E112 HydrophobicContact CD1-CB 3.69Å; F90-E112 HydrophobicContact CD2-CB 4.04Å; F90-E112 HydrophobicContact CE1-CB 3.56Å; F90-E112 HydrophobicContact CE1-CG 4.02Å; F90-E112 HydrophobicContact CE2-CB 3.91Å; F90-E112 HydrophobicContact CE2-CG 4.03Å; F90-E112 HydrophobicContact CG-CB 3.93Å; F90-E112 HydrophobicContact CZ-CB 3.67Å; F90-E112 HydrophobicContact CZ-CG 3.7Å; L91-E112 PolarHBondContact N-O 3.33Å; V110-E112 VanDerWaalsContact CG1-O 3.27Å; V110-E112 WeakPolarHBondContact CG1-O 2.99Å; E112-R127 IonicContact OE2-CZ 3.81Å; E112-R127 IonicContact OE2-NH2 2.72Å; E112-R127 PolarHBondContact OE2-NH2 3.2Å |
| 113 | F | 86.6 | Confident | 85.8 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 20% | 0.202 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.2 | 171.9 | -64.7 | -83.8 | 0 | 0 | 0 | 110.4 | L91 M102 L107 V110 W115 R127 | L91-F113 HydrophobicContact CB-CD1 4.02Å; L91-F113 HydrophobicContact CB-CE1 4.09Å; L91-F113 HydrophobicContact CD2-CD1 3.83Å; L91-F113 HydrophobicContact CD2-CE1 3.56Å; L91-F113 HydrophobicContact CG-CD1 4.4Å; L91-F113 HydrophobicContact CG-CE1 4.43Å; M102-F113 HydrophobicContact CE-CE1 3.31Å; M102-F113 HydrophobicContact CE-CZ 3.48Å; M102-F113 VanDerWaalsContact CE-CZ 3.48Å; M102-F113 HydrophobicContact SD-CD1 4.29Å; M102-F113 HydrophobicContact SD-CE1 3.23Å; M102-F113 WeakPolarHBondContact SD-CE1 3.46Å; M102-F113 HydrophobicContact SD-CZ 3.4Å; M102-F113 WeakPolarHBondContact SD-CZ 3.5Å; L107-F113 HydrophobicContact CD2-CE2 4.06Å; L107-F113 HydrophobicContact CD2-CZ 3.68Å; V110-F113 HydrophobicContact CB-CZ 4.42Å; V110-F113 HydrophobicContact CG1-CE1 4.19Å; V110-F113 HydrophobicContact CG1-CE2 4.39Å; V110-F113 HydrophobicContact CG1-CZ 4.02Å; F113-W115 HydrophobicContact CB-CH2 4.22Å; F113-W115 HydrophobicContact CB-CZ2 3.94Å; F113-W115 HydrophobicContact CD1-CH2 4.11Å; F113-W115 HydrophobicContact CG-CH2 4.37Å; F113-W115 HydrophobicContact CG-CZ2 4.36Å; F113-R127 PolarHBondContact O-NH1 2.96Å; F113-R127 PolarHBondContact O-NH2 3.48Å |
| 114 | A | 86.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 112 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F90 L91 L92 G93 I116 I124 | F90-A114 HydrophobicContact CD1-CB 4.34Å; L91-A114 PolarHBondContact O-N 3.43Å; L92-A114 HydrophobicContact CD2-CB 3.77Å; G93-A114 PolarHBondContact N-O 2.66Å; A114-I116 PolarHBondContact O-N 2.98Å; A114-I116 VanDerWaalsContact O-N 3.09Å; A114-I124 HydrophobicContact CB-CD1 4.25Å; A114-I124 HydrophobicContact CB-CG1 4.25Å; A114-I124 HydrophobicContact CB-CG2 3.67Å |
| 115 | W | 85 | Confident | 87.3 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 17% | 0.174 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 84.6 | 178.7 | -52 | 122.8 | 0 | 0 | 0 | 109.1 | R95 A98 F113 L117 E118 D119 | R95-W115 VanDerWaalsContact CA-CZ3 3.45Å; R95-W115 HydrophobicContact CB-CD2 4.04Å; R95-W115 HydrophobicContact CB-CE3 3.87Å; R95-W115 HydrophobicContact CB-CZ3 4.16Å; R95-W115 HydrophobicContact CG-CD2 4.36Å; R95-W115 HydrophobicContact CG-CE3 4.47Å; R95-W115 HydrophobicContact CG-CH2 4.39Å; R95-W115 HydrophobicContact CG-CZ2 4.25Å; A98-W115 HydrophobicContact CB-CH2 3.83Å; A98-W115 HydrophobicContact CB-CZ3 3.53Å; F113-W115 HydrophobicContact CB-CH2 4.22Å; F113-W115 HydrophobicContact CB-CZ2 3.94Å; F113-W115 HydrophobicContact CD1-CH2 4.11Å; F113-W115 HydrophobicContact CG-CH2 4.37Å; F113-W115 HydrophobicContact CG-CZ2 4.36Å; W115-L117 PolarHBondContact O-N 2.88Å; W115-E118 HydrophobicContact CB-CB 3.88Å; W115-E118 HydrophobicContact CB-CG 4.22Å; W115-E118 PolarHBondContact O-N 3.32Å; W115-D119 PolarHBondContact O-N 3.46Å |
| 116 | I | 84.7 | Confident | 88 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -13.2 | -170.6 | 56.2 | 174.2 | 0 | 0 | 0 | 115 | V18 A21 V22 L92 A114 I124 | V18-I116 HydrophobicContact CG1-CD1 3.38Å; V18-I116 HydrophobicContact CG1-CG1 4.49Å; A21-I116 HydrophobicContact CB-CB 4.28Å; A21-I116 HydrophobicContact CB-CD1 4.49Å; V22-I116 HydrophobicContact CG2-CD1 4.15Å; L92-I116 HydrophobicContact CB-CD1 4.42Å; L92-I116 HydrophobicContact CB-CG2 3.88Å; L92-I116 HydrophobicContact CD2-CG2 3.94Å; L92-I116 HydrophobicContact CG-CG2 4.32Å; A114-I116 PolarHBondContact O-N 2.98Å; A114-I116 VanDerWaalsContact O-N 3.09Å; I116-I124 HydrophobicContact CG2-CD1 4.15Å |
| 117 | L | 83.1 | Confident | 88.8 | Confident | 72 Ų | 72 | 56.4 Ų | 56.4 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -20.1 | 175.5 | -57 | -172.7 | 0 | 0 | 0 | 113.9 | W17 V18 A21 W115 | W17-L117 VanDerWaalsContact CD1-CD2 3.49Å; V18-L117 HydrophobicContact CG2-CD1 4.39Å; A21-L117 HydrophobicContact CB-CD2 4.15Å; W115-L117 PolarHBondContact O-N 2.88Å |
| 118 | E | 85 | Confident | 89.4 | Confident | 107 Ų | 107 | 52.2 Ų | 52.2 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -40.4 | -179 | -61.9 | -175.4 | -164.9 | 0 | 0 | 111.7 | R95 W115 | R95-E118 WeakPolarHBondContact CB-OE1 3.22Å; R95-E118 VanDerWaalsContact CD-OE1 3.23Å; R95-E118 WeakPolarHBondContact CD-OE1 3.42Å; R95-E118 IonicContact NH1-OE2 2.65Å; W115-E118 HydrophobicContact CB-CB 3.88Å; W115-E118 HydrophobicContact CB-CG 4.22Å; W115-E118 PolarHBondContact O-N 3.32Å |
| 119 | D | 87.9 | Confident | 89.9 | Confident | 50 Ų | 50 | 47.4 Ų | 47.4 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -90.4 | 152.9 | -179.8 | -72.3 | -31.3 | 0 | 0 | 0 | 111.7 | W115 F123 I124 R127 | W115-D119 PolarHBondContact O-N 3.46Å; D119-F123 HydrophobicContact CB-CD1 4.47Å; D119-I124 HydrophobicContact CB-CD1 3.87Å; D119-I124 HydrophobicContact CB-CG1 3.73Å; D119-R127 IonicContact OD2-NH1 3.8Å |
| 120 | T | 91.4 | Very high | 90.4 | Very high | 90 Ų | 90 | 47.2 Ų | 47.2 | 55% | 0.552 | 25% | 0.254 | S | S | * | . | trans | -74.7 | 144.3 | 173.9 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | D122 F123 I124 | T120-D122 PolarHBondContact O-N 3.43Å; T120-F123 PolarHBondContact O-N 3.17Å; T120-F123 VanDerWaalsContact O-N 3.07Å; T120-F123 VanDerWaalsContact OG1-CB 3.26Å; T120-F123 WeakPolarHBondContact OG1-CB 3.2Å; T120-F123 PolarHBondContact OG1-N 3.4Å; T120-I124 WeakPolarHBondContact O-CG1 3.36Å; T120-I124 PolarHBondContact O-N 2.98Å | ||
| 121 | A | 92 | Very high | 90.8 | Very high | 25 Ų | 25 | 47 Ų | 47 | 21% | 0.207 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.5 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R24 A28 I124 A125 | R24-A121 HydrophobicContact CB-CB 4.05Å; A28-A121 HydrophobicContact CB-CB 4.16Å; A121-I124 PolarHBondContact O-N 3.42Å; A121-A125 VanDerWaalsContact O-CB 3.28Å; A121-A125 WeakPolarHBondContact O-CB 3.5Å; A121-A125 PolarHBondContact O-N 3.45Å |
| 122 | D | 93.4 | Very high | 91.1 | Very high | 97 Ų | 97 | 42.2 Ų | 42.2 | 52% | 0.519 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.2 | -178 | 63.7 | 0 | 0 | 0 | 112.5 | T120 A125 G126 | T120-D122 PolarHBondContact O-N 3.43Å; D122-A125 PolarHBondContact O-N 3.04Å; D122-G126 PolarHBondContact O-N 3.21Å |
| 123 | F | 94 | Very high | 91.2 | Very high | 111 Ų | 111 | 42 Ų | 42 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68 | -43.2 | 178.7 | -177.7 | -113.2 | 0 | 0 | 0 | 112.2 | D119 T120 G126 R127 | D119-F123 HydrophobicContact CB-CD1 4.47Å; T120-F123 PolarHBondContact O-N 3.17Å; T120-F123 VanDerWaalsContact O-N 3.07Å; T120-F123 VanDerWaalsContact OG1-CB 3.26Å; T120-F123 WeakPolarHBondContact OG1-CB 3.2Å; T120-F123 PolarHBondContact OG1-N 3.4Å; F123-G126 PolarHBondContact O-N 3.11Å; F123-R127 HydrophobicContact CE1-CG 4.28Å; F123-R127 HydrophobicContact CZ-CG 4.22Å; F123-R127 WeakPolarHBondContact O-CG 3.42Å; F123-R127 PolarHBondContact O-N 2.9Å |
| 124 | I | 93 | Very high | 91.5 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 175.5 | -60.6 | 168 | 0 | 0 | 0 | 110.1 | L25 A114 I116 D119 T120 A121 G126 R127 A128 | L25-I124 HydrophobicContact CD1-CB 3.83Å; L25-I124 HydrophobicContact CD1-CG2 3.63Å; L25-I124 HydrophobicContact CD2-CG2 3.9Å; L25-I124 HydrophobicContact CG-CG2 4.45Å; A114-I124 HydrophobicContact CB-CD1 4.25Å; A114-I124 HydrophobicContact CB-CG1 4.25Å; A114-I124 HydrophobicContact CB-CG2 3.67Å; I116-I124 HydrophobicContact CG2-CD1 4.15Å; D119-I124 HydrophobicContact CB-CD1 3.87Å; D119-I124 HydrophobicContact CB-CG1 3.73Å; T120-I124 WeakPolarHBondContact O-CG1 3.36Å; T120-I124 PolarHBondContact O-N 2.98Å; A121-I124 PolarHBondContact O-N 3.42Å; I124-G126 VanDerWaalsContact C-N 3.33Å; I124-G126 PolarHBondContact O-N 2.86Å; I124-R127 WeakPolarHBondContact O-CB 3.38Å; I124-R127 PolarHBondContact O-N 2.91Å; I124-A128 PolarHBondContact O-N 3.12Å |
| 125 | A | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L25 A28 L29 A121 D122 R127 A128 V129 | L25-A125 HydrophobicContact CD1-CB 4.15Å; A28-A125 HydrophobicContact CB-CB 3.83Å; L29-A125 HydrophobicContact CD2-CB 3.99Å; L29-A125 HydrophobicContact CG-CB 3.99Å; A121-A125 VanDerWaalsContact O-CB 3.28Å; A121-A125 WeakPolarHBondContact O-CB 3.5Å; A121-A125 PolarHBondContact O-N 3.45Å; D122-A125 PolarHBondContact O-N 3.04Å; A125-R127 PolarHBondContact O-N 3.42Å; A125-A128 PolarHBondContact O-N 3.45Å; A125-V129 WeakPolarHBondContact O-CG2 3.3Å; A125-V129 PolarHBondContact O-N 3.06Å |
| 126 | G | 95.1 | Very high | 91.9 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D122 F123 I124 V129 A130 | D122-G126 PolarHBondContact O-N 3.21Å; F123-G126 PolarHBondContact O-N 3.11Å; I124-G126 VanDerWaalsContact C-N 3.33Å; I124-G126 PolarHBondContact O-N 2.86Å; G126-V129 PolarHBondContact O-N 2.99Å; G126-A130 PolarHBondContact O-N 3.48Å |
| 127 | R | 95 | Very high | 91.8 | Very high | 59 Ų | 59 | 54.6 Ų | 54.6 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 174.1 | -74.4 | 175.9 | 63.8 | -158.6 | -2.4 | 111.8 | F90 E112 F113 D119 F123 I124 A125 A130 A131 | F90-R127 HydrophobicContact CE1-CB 4.38Å; E112-R127 IonicContact OE2-CZ 3.81Å; E112-R127 IonicContact OE2-NH2 2.72Å; E112-R127 PolarHBondContact OE2-NH2 3.2Å; F113-R127 PolarHBondContact O-NH1 2.96Å; F113-R127 PolarHBondContact O-NH2 3.48Å; D119-R127 IonicContact OD2-NH1 3.8Å; F123-R127 HydrophobicContact CE1-CG 4.28Å; F123-R127 HydrophobicContact CZ-CG 4.22Å; F123-R127 WeakPolarHBondContact O-CG 3.42Å; F123-R127 PolarHBondContact O-N 2.9Å; I124-R127 WeakPolarHBondContact O-CB 3.38Å; I124-R127 PolarHBondContact O-N 2.91Å; A125-R127 PolarHBondContact O-N 3.42Å; R127-A130 WeakPolarHBondContact O-CB 3.44Å; R127-A130 PolarHBondContact O-N 3.02Å; R127-A131 PolarHBondContact O-N 3.47Å |
| 128 | A | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L29 M59 F90 I124 A125 A130 A131 M132 | L29-A128 HydrophobicContact CD2-CB 4.12Å; M59-A128 HydrophobicContact CE-CB 3.21Å; F90-A128 HydrophobicContact CZ-CB 4.34Å; I124-A128 PolarHBondContact O-N 3.12Å; A125-A128 PolarHBondContact O-N 3.45Å; A128-A130 VanDerWaalsContact C-N 3.31Å; A128-A130 PolarHBondContact O-N 3.48Å; A128-A131 PolarHBondContact O-N 2.82Å; A128-A131 VanDerWaalsContact O-N 3.15Å; A128-M132 VanDerWaalsContact C-CE 3.48Å; A128-M132 HydrophobicContact CB-CE 3.94Å; A128-M132 WeakPolarHBondContact O-CB 3.39Å; A128-M132 WeakPolarHBondContact O-CE 3.27Å; A128-M132 VanDerWaalsContact O-CG 3.29Å; A128-M132 WeakPolarHBondContact O-CG 3.3Å; A128-M132 PolarHBondContact O-N 2.9Å |
| 129 | V | 95.9 | Very high | 92 | Very high | 27 Ų | 27 | 56.8 Ų | 56.8 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | M2 Q32 V34 A125 G126 M132 T133 | M2-V129 HydrophobicContact CE-CG1 4.21Å; Q32-V129 HydrophobicContact CB-CG2 4.12Å; V34-V129 HydrophobicContact CG2-CG2 3.84Å; A125-V129 WeakPolarHBondContact O-CG2 3.3Å; A125-V129 PolarHBondContact O-N 3.06Å; G126-V129 PolarHBondContact O-N 2.99Å; V129-M132 HydrophobicContact CG2-CE 4Å; V129-T133 WeakPolarHBondContact O-CB 3.36Å; V129-T133 PolarHBondContact O-N 3.43Å; V129-T133 PolarHBondContact O-OG1 2.88Å |
| 130 | A | 94.8 | Very high | 92.1 | Very high | 43 Ų | 43 | 57.2 Ų | 57.2 | 36% | 0.355 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | G126 R127 A128 T133 R134 | G126-A130 PolarHBondContact O-N 3.48Å; R127-A130 WeakPolarHBondContact O-CB 3.44Å; R127-A130 PolarHBondContact O-N 3.02Å; A128-A130 VanDerWaalsContact C-N 3.31Å; A128-A130 PolarHBondContact O-N 3.48Å; A130-T133 PolarHBondContact O-N 2.72Å; A130-R134 WeakPolarHBondContact O-CG 3.4Å; A130-R134 PolarHBondContact O-N 3.39Å; A130-R134 VanDerWaalsContact O-N 3.11Å |
| 131 | A | 95.1 | Very high | 92.2 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 5% | 0.05 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P88 F90 R127 A128 T133 R134 Y135 | P88-A131 HydrophobicContact CB-CB 3.94Å; P88-A131 HydrophobicContact CG-CB 4.05Å; F90-A131 HydrophobicContact CE2-CB 3.88Å; F90-A131 HydrophobicContact CZ-CB 4Å; R127-A131 PolarHBondContact O-N 3.47Å; A128-A131 PolarHBondContact O-N 2.82Å; A128-A131 VanDerWaalsContact O-N 3.15Å; A131-T133 VanDerWaalsContact C-N 3.26Å; A131-T133 PolarHBondContact O-N 3.39Å; A131-R134 PolarHBondContact O-N 2.92Å; A131-R134 VanDerWaalsContact O-N 3.12Å; A131-Y135 PolarHBondContact O-N 3.27Å |
| 132 | M | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56 | -40.9 | 174.8 | -71.2 | -173.7 | -92.7 | 0 | 0 | 111.7 | M2 L29 V34 D56 C57 A128 V129 Y135 R136 | M2-M132 HydrophobicContact CB-SD 4.01Å; M2-M132 HydrophobicContact CG-CB 4.41Å; M2-M132 HydrophobicContact CG-SD 4.43Å; M2-M132 HydrophobicContact SD-CB 3.54Å; M2-M132 VanDerWaalsContact SD-CB 3.54Å; M2-M132 HydrophobicContact SD-CG 4.47Å; M2-M132 HydrophobicContact SD-SD 4.26Å; L29-M132 HydrophobicContact CD2-CE 4.16Å; V34-M132 HydrophobicContact CG1-CE 3.99Å; V34-M132 HydrophobicContact CG1-SD 4.14Å; V34-M132 HydrophobicContact CG2-CE 3.93Å; D56-M132 HydrophobicContact CB-CB 4Å; D56-M132 HydrophobicContact CB-CG 3.67Å; D56-M132 HydrophobicContact CB-SD 3.81Å; D56-M132 WeakPolarHBondContact O-CG 3.49Å; C57-M132 HydrophobicContact CB-CG 3.65Å; C57-M132 HydrophobicContact CB-SD 3.98Å; A128-M132 VanDerWaalsContact C-CE 3.48Å; A128-M132 HydrophobicContact CB-CE 3.94Å; A128-M132 WeakPolarHBondContact O-CB 3.39Å; A128-M132 WeakPolarHBondContact O-CE 3.27Å; A128-M132 VanDerWaalsContact O-CG 3.29Å; A128-M132 WeakPolarHBondContact O-CG 3.3Å; A128-M132 PolarHBondContact O-N 2.9Å; V129-M132 HydrophobicContact CG2-CE 4Å; M132-Y135 PolarHBondContact O-N 2.91Å; M132-R136 WeakPolarHBondContact O-CG 3.31Å; M132-R136 PolarHBondContact O-N 3.26Å |
| 133 | T | 91.9 | Very high | 92.5 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 34% | 0.344 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.7 | -43 | 177.5 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | V129 A130 A131 R136 Q137 | V129-T133 WeakPolarHBondContact O-CB 3.36Å; V129-T133 PolarHBondContact O-N 3.43Å; V129-T133 PolarHBondContact O-OG1 2.88Å; A130-T133 PolarHBondContact O-N 2.72Å; A131-T133 VanDerWaalsContact C-N 3.26Å; A131-T133 PolarHBondContact O-N 3.39Å; T133-R136 PolarHBondContact O-N 3.25Å; T133-Q137 VanDerWaalsContact O-CG 3.31Å; T133-Q137 WeakPolarHBondContact O-CG 3.24Å; T133-Q137 PolarHBondContact O-N 2.97Å; T133-Q137 VanDerWaalsContact O-N 3.16Å |
| 134 | R | 92.2 | Very high | 92.5 | Very high | 127 Ų | 127 | 47.5 Ų | 47.5 | 48% | 0.479 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64 | -43.9 | 175.9 | -71.1 | -174.4 | -62.4 | -113.4 | 7.2 | 111.7 | A130 A131 R136 Q137 Q138 | A130-R134 WeakPolarHBondContact O-CG 3.4Å; A130-R134 PolarHBondContact O-N 3.39Å; A130-R134 VanDerWaalsContact O-N 3.11Å; A131-R134 PolarHBondContact O-N 2.92Å; A131-R134 VanDerWaalsContact O-N 3.12Å; R134-R136 PolarHBondContact O-N 3.48Å; R134-Q137 WeakPolarHBondContact O-CB 3.25Å; R134-Q137 PolarHBondContact O-N 3.23Å; R134-Q138 PolarHBondContact O-N 3.24Å |
| 135 | Y | 92.2 | Very high | 92.5 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.7 | -50.8 | 175.9 | 167.9 | -118.9 | 0 | 0 | 0 | 111.3 | D56 N86 V87 A131 M132 Q137 Q138 L139 | D56-Y135 HydrophobicContact CB-CD1 4.37Å; N86-Y135 HydrophobicContact CB-CD2 4.26Å; N86-Y135 HydrophobicContact CB-CE2 4.24Å; N86-Y135 WeakPolarHBondContact O-CD2 3.31Å; V87-Y135 HydrophobicContact CG2-CE1 3.76Å; V87-Y135 HydrophobicContact CG2-CE2 3.95Å; V87-Y135 VanDerWaalsContact CG2-CZ 3.42Å; V87-Y135 WeakPolarHBondContact CG2-OH 3.45Å; A131-Y135 PolarHBondContact O-N 3.27Å; M132-Y135 PolarHBondContact O-N 2.91Å; Y135-Q137 VanDerWaalsContact C-N 3.26Å; Y135-Q137 PolarHBondContact O-N 2.99Å; Y135-Q138 CarbonylContact O-C 3.5Å; Y135-Q138 PolarHBondContact O-N 3.19Å; Y135-L139 HydrophobicContact CE1-CD2 4.1Å; Y135-L139 HydrophobicContact CE2-CB 4.49Å; Y135-L139 HydrophobicContact CE2-CD1 4.18Å; Y135-L139 WeakPolarHBondContact O-CB 3.39Å; Y135-L139 PolarHBondContact O-N 2.71Å |
| 136 | R | 87.8 | Confident | 92.4 | Very high | 88 Ų | 88 | 49.2 Ų | 49.2 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.5 | -32.6 | 177.8 | -76 | -179.8 | 168.6 | -153.6 | -9.3 | 114.3 | M1 M2 D56 M132 T133 R134 Q138 | M1-R136 PolarHBondContact O-NH2 3.17Å; M2-R136 VanDerWaalsContact CA-NH2 3.35Å; D56-R136 VanDerWaalsContact CG-NH2 3.32Å; D56-R136 IonicContact OD1-CZ 3.94Å; D56-R136 IonicContact OD1-NE 3.93Å; D56-R136 PolarHBondContact OD1-NE 3.49Å; D56-R136 IonicContact OD1-NH2 2.83Å; D56-R136 PolarHBondContact OD1-NH2 2.91Å; D56-R136 VanDerWaalsContact OD1-NH2 3.15Å; D56-R136 IonicContact OD2-CZ 3.32Å; D56-R136 IonicContact OD2-NE 2.97Å; D56-R136 IonicContact OD2-NH2 3.53Å; D56-R136 PolarHBondContact OD2-NH2 3.07Å; M132-R136 WeakPolarHBondContact O-CG 3.31Å; M132-R136 PolarHBondContact O-N 3.26Å; T133-R136 PolarHBondContact O-N 3.25Å; R134-R136 PolarHBondContact O-N 3.48Å; R136-Q138 PolarHBondContact O-N 2.84Å |
| 137 | Q | 84.2 | Confident | 92.2 | Very high | 130 Ų | 130 | 47.7 Ų | 47.7 | 61% | 0.607 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -67.1 | -24.5 | 176.4 | -73.6 | 171.4 | 0.1 | 0 | 0 | 112.9 | T133 R134 Y135 | T133-Q137 VanDerWaalsContact O-CG 3.31Å; T133-Q137 WeakPolarHBondContact O-CG 3.24Å; T133-Q137 PolarHBondContact O-N 2.97Å; T133-Q137 VanDerWaalsContact O-N 3.16Å; R134-Q137 WeakPolarHBondContact O-CB 3.25Å; R134-Q137 PolarHBondContact O-N 3.23Å; Y135-Q137 VanDerWaalsContact C-N 3.26Å; Y135-Q137 PolarHBondContact O-N 2.99Å |
| 138 | Q | 84.4 | Confident | 91.9 | Very high | 152 Ų | 152 | 48.6 Ų | 48.6 | 71% | 0.71 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -100.4 | -20.8 | 179.2 | -62.9 | 178.1 | -2.9 | 0 | 0 | 112.9 | R134 Y135 R136 | R134-Q138 PolarHBondContact O-N 3.24Å; Y135-Q138 CarbonylContact O-C 3.5Å; Y135-Q138 PolarHBondContact O-N 3.19Å; R136-Q138 PolarHBondContact O-N 2.84Å |
| 139 | L | 86.5 | Confident | 91.5 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 39% | 0.387 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | -176.9 | 179.5 | 62.8 | 0 | 0 | 0 | 113.1 | Y135 | Y135-L139 HydrophobicContact CE1-CD2 4.1Å; Y135-L139 HydrophobicContact CE2-CB 4.49Å; Y135-L139 HydrophobicContact CE2-CD1 4.18Å; Y135-L139 WeakPolarHBondContact O-CB 3.39Å; Y135-L139 PolarHBondContact O-N 2.71Å |
| 140 | L | 90.2 | Very high | 91 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 31% | 0.309 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -83.1 | 135.3 | -172.9 | -61.5 | -179.2 | 0 | 0 | 0 | 111 | F144 M148 | L140-F144 HydrophobicContact CD2-CD1 3.98Å; L140-F144 HydrophobicContact CD2-CE1 4.1Å; L140-M148 HydrophobicContact CD1-SD 3.57Å; L140-M148 VanDerWaalsContact CD1-SD 3.57Å |
| 141 | P | 94.7 | Very high | 90.6 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 5% | 0.045 | 26% | 0.258 | C | S | . | . | trans | -70.8 | 162.6 | 178.6 | 32.7 | -37.2 | 0 | 0 | 0 | 111.8 | L143 F144 S145 Y214 D433 V434 | P141-L143 PolarHBondContact O-N 3.41Å; P141-F144 HydrophobicContact CG-CB 4.08Å; P141-F144 PolarHBondContact O-N 3.47Å; P141-S145 WeakPolarHBondContact O-CB 3.42Å; P141-S145 PolarHBondContact O-N 2.79Å; P141-Y214 HydrophobicContact CB-CD1 4.28Å; P141-Y214 HydrophobicContact CB-CE1 4Å; P141-D433 VanDerWaalsContact C-OD2 3.31Å; P141-D433 VanDerWaalsContact CB-CG 3.47Å; P141-D433 VanDerWaalsContact CB-OD2 3.25Å; P141-D433 WeakPolarHBondContact CB-OD2 3.38Å; P141-D433 HydrophobicContact CG-CB 4.32Å; P141-D433 VanDerWaalsContact CG-OD2 3.27Å; P141-D433 WeakPolarHBondContact CG-OD2 3.4Å; P141-V434 HydrophobicContact CG-CG2 4.19Å | ||
| 142 | P | 94.9 | Very high | 90.1 | Very high | 45 Ų | 45 | 58.5 Ų | 58.5 | 29% | 0.292 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.6 | -44.8 | -163.3 | -27.8 | 35.3 | 0 | 0 | 0 | 114.7 | A146 E210 | P142-A146 WeakPolarHBondContact O-CB 3.5Å; P142-A146 PolarHBondContact O-N 2.97Å; P142-E210 HydrophobicContact CB-CB 3.88Å; P142-E210 HydrophobicContact CG-CB 4.28Å |
| 143 | L | 95.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.3 | -47.1 | -176.7 | 175.6 | 64.8 | 0 | 0 | 0 | 111 | P141 S145 A146 L147 A207 F208 C429 D433 | P141-L143 PolarHBondContact O-N 3.41Å; L143-S145 PolarHBondContact O-N 3.31Å; L143-A146 PolarHBondContact O-N 2.8Å; L143-A146 VanDerWaalsContact O-N 3.17Å; L143-L147 HydrophobicContact CD1-CD1 4.27Å; L143-L147 HydrophobicContact CD1-CG 4.27Å; L143-L147 HydrophobicContact CG-CD1 4.07Å; L143-L147 HydrophobicContact CG-CG 4.49Å; L143-L147 WeakPolarHBondContact O-CG 3.27Å; L143-L147 PolarHBondContact O-N 3.11Å; L143-A207 HydrophobicContact CD1-CB 4.09Å; L143-F208 HydrophobicContact CD1-CD1 4.09Å; L143-F208 HydrophobicContact CD1-CD2 4.08Å; L143-F208 HydrophobicContact CD1-CE1 3.91Å; L143-F208 HydrophobicContact CD1-CE2 3.9Å; L143-F208 HydrophobicContact CD1-CG 4.18Å; L143-F208 HydrophobicContact CD1-CZ 3.8Å; L143-F208 HydrophobicContact CD2-CD1 3.84Å; L143-F208 HydrophobicContact CD2-CE1 3.64Å; L143-F208 HydrophobicContact CD2-CZ 4.29Å; L143-F208 HydrophobicContact CG-CE1 4.45Å; L143-C429 HydrophobicContact CD2-CB 3.62Å; L143-D433 WeakPolarHBondContact CA-OD2 3.36Å; L143-D433 HydrophobicContact CB-CB 4.17Å; L143-D433 VanDerWaalsContact CB-OD2 3.26Å; L143-D433 WeakPolarHBondContact CB-OD2 3.44Å; L143-D433 PolarHBondContact N-OD2 3.2Å |
| 144 | F | 94.5 | Very high | 89 | Confident | 67 Ų | 67 | 66 Ų | 66 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | -178.7 | -173.3 | -123.9 | 0 | 0 | 0 | 112.4 | L140 P141 A146 L147 M148 A430 D433 V434 | L140-F144 HydrophobicContact CD2-CD1 3.98Å; L140-F144 HydrophobicContact CD2-CE1 4.1Å; P141-F144 HydrophobicContact CG-CB 4.08Å; P141-F144 PolarHBondContact O-N 3.47Å; F144-A146 VanDerWaalsContact C-N 3.33Å; F144-A146 PolarHBondContact O-N 2.95Å; F144-L147 PolarHBondContact O-N 2.97Å; F144-M148 HydrophobicContact CD1-SD 4.17Å; F144-M148 HydrophobicContact CD2-CG 4.45Å; F144-M148 HydrophobicContact CE1-CG 4.2Å; F144-M148 HydrophobicContact CE1-SD 3.55Å; F144-M148 VanDerWaalsContact CE1-SD 3.55Å; F144-M148 HydrophobicContact CE2-CG 4.08Å; F144-M148 HydrophobicContact CE2-SD 4.43Å; F144-M148 HydrophobicContact CZ-CG 3.94Å; F144-M148 HydrophobicContact CZ-SD 3.7Å; F144-M148 WeakPolarHBondContact O-CG 3.42Å; F144-M148 PolarHBondContact O-N 2.71Å; F144-A430 HydrophobicContact CD2-CB 3.95Å; F144-D433 PolarHBondContact N-OD2 2.88Å; F144-V434 HydrophobicContact CB-CG2 4.01Å; F144-V434 HydrophobicContact CD1-CG2 3.83Å; F144-V434 HydrophobicContact CE1-CG2 4.47Å; F144-V434 HydrophobicContact CG-CG2 3.89Å |
| 145 | S | 92.8 | Very high | 88.2 | Confident | 16 Ų | 16 | 66 Ų | 66 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.4 | -45.5 | 171 | 162.2 | 0 | 0 | 0 | 0 | 111.9 | P141 L143 M148 K149 | P141-S145 WeakPolarHBondContact O-CB 3.42Å; P141-S145 PolarHBondContact O-N 2.79Å; L143-S145 PolarHBondContact O-N 3.31Å; S145-M148 PolarHBondContact O-N 3.38Å; S145-K149 WeakPolarHBondContact O-CB 3.36Å; S145-K149 VanDerWaalsContact O-CG 3.29Å; S145-K149 WeakPolarHBondContact O-CG 3.4Å; S145-K149 PolarHBondContact O-N 3.16Å; S145-K149 PolarHBondContact OG-NZ 3.22Å |
| 146 | A | 92 | Very high | 87.3 | Confident | 21 Ų | 21 | 74.3 Ų | 74.3 | 17% | 0.174 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | P142 L143 F144 Y150 L198 A207 | P142-A146 WeakPolarHBondContact O-CB 3.5Å; P142-A146 PolarHBondContact O-N 2.97Å; L143-A146 PolarHBondContact O-N 2.8Å; L143-A146 VanDerWaalsContact O-N 3.17Å; F144-A146 VanDerWaalsContact C-N 3.33Å; F144-A146 PolarHBondContact O-N 2.95Å; A146-Y150 VanDerWaalsContact O-CB 3.29Å; A146-Y150 WeakPolarHBondContact O-CB 3.46Å; A146-Y150 PolarHBondContact O-N 2.79Å; A146-L198 HydrophobicContact CB-CD2 3.63Å; A146-A207 HydrophobicContact CB-CB 3.61Å |
| 147 | L | 91.2 | Very high | 86.8 | Confident | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 176.4 | -69.9 | 170.6 | 0 | 0 | 0 | 112.4 | L143 F144 Y150 S151 M191 L198 Y426 A430 | L143-L147 HydrophobicContact CD1-CD1 4.27Å; L143-L147 HydrophobicContact CD1-CG 4.27Å; L143-L147 HydrophobicContact CG-CD1 4.07Å; L143-L147 HydrophobicContact CG-CG 4.49Å; L143-L147 WeakPolarHBondContact O-CG 3.27Å; L143-L147 PolarHBondContact O-N 3.11Å; F144-L147 PolarHBondContact O-N 2.97Å; L147-Y150 PolarHBondContact O-N 3.35Å; L147-S151 PolarHBondContact O-N 3.37Å; L147-M191 HydrophobicContact CD2-CE 3.47Å; L147-M191 VanDerWaalsContact CD2-CE 3.47Å; L147-L198 HydrophobicContact CD2-CD1 3.73Å; L147-L198 HydrophobicContact CD2-CD2 4.19Å; L147-Y426 HydrophobicContact CD2-CD2 3.6Å; L147-Y426 HydrophobicContact CD2-CE2 4.42Å; L147-Y426 HydrophobicContact CD2-CG 4.37Å; L147-A430 HydrophobicContact CD1-CB 3.66Å |
| 148 | M | 88.8 | Confident | 86.9 | Confident | 79 Ų | 79 | 76.5 Ų | 76.5 | 39% | 0.389 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -50.7 | 176.8 | -75.1 | -169.3 | 66.5 | 0 | 0 | 111.3 | L140 F144 S145 Y150 S151 D152 | L140-M148 HydrophobicContact CD1-SD 3.57Å; L140-M148 VanDerWaalsContact CD1-SD 3.57Å; F144-M148 HydrophobicContact CD1-SD 4.17Å; F144-M148 HydrophobicContact CD2-CG 4.45Å; F144-M148 HydrophobicContact CE1-CG 4.2Å; F144-M148 HydrophobicContact CE1-SD 3.55Å; F144-M148 VanDerWaalsContact CE1-SD 3.55Å; F144-M148 HydrophobicContact CE2-CG 4.08Å; F144-M148 HydrophobicContact CE2-SD 4.43Å; F144-M148 HydrophobicContact CZ-CG 3.94Å; F144-M148 HydrophobicContact CZ-SD 3.7Å; F144-M148 WeakPolarHBondContact O-CG 3.42Å; F144-M148 PolarHBondContact O-N 2.71Å; S145-M148 PolarHBondContact O-N 3.38Å; M148-Y150 PolarHBondContact O-N 2.66Å; M148-S151 PolarHBondContact O-N 3.49Å; M148-S151 VanDerWaalsContact O-N 3.16Å; M148-D152 PolarHBondContact O-N 2.95Å; M148-D152 VanDerWaalsContact O-N 3.13Å |
| 149 | K | 87.8 | Confident | 86.9 | Confident | 129 Ų | 129 | 70.6 Ų | 70.6 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.6 | -38.8 | 177.8 | -73.2 | 170.8 | -174.8 | 167.5 | 0 | 111.9 | S145 D152 I153 | S145-K149 WeakPolarHBondContact O-CB 3.36Å; S145-K149 VanDerWaalsContact O-CG 3.29Å; S145-K149 WeakPolarHBondContact O-CG 3.4Å; S145-K149 PolarHBondContact O-N 3.16Å; S145-K149 PolarHBondContact OG-NZ 3.22Å; K149-D152 PolarHBondContact O-N 2.79Å; K149-I153 VanDerWaalsContact O-CG1 3.3Å; K149-I153 WeakPolarHBondContact O-CG1 3.39Å |
| 150 | Y | 85.9 | Confident | 86.9 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 10% | 0.102 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 177.8 | -178.3 | -89.1 | 0 | 0 | 0 | 112.2 | A146 L147 M148 D152 I153 M191 R195 L198 | A146-Y150 VanDerWaalsContact O-CB 3.29Å; A146-Y150 WeakPolarHBondContact O-CB 3.46Å; A146-Y150 PolarHBondContact O-N 2.79Å; L147-Y150 PolarHBondContact O-N 3.35Å; M148-Y150 PolarHBondContact O-N 2.66Å; Y150-D152 PolarHBondContact O-N 3.46Å; Y150-I153 HydrophobicContact CD2-CD1 4.26Å; Y150-I153 WeakPolarHBondContact O-CB 3.29Å; Y150-I153 WeakPolarHBondContact O-CG1 3.42Å; Y150-I153 PolarHBondContact O-N 3.32Å; Y150-I153 VanDerWaalsContact O-N 3.08Å; Y150-M191 HydrophobicContact CD1-CE 3.71Å; Y150-M191 HydrophobicContact CD1-SD 3.18Å; Y150-M191 WeakPolarHBondContact CD1-SD 3.47Å; Y150-M191 HydrophobicContact CE1-CE 4.24Å; Y150-M191 HydrophobicContact CE1-SD 3.11Å; Y150-M191 WeakPolarHBondContact CE1-SD 3.49Å; Y150-M191 HydrophobicContact CG-CE 4.46Å; Y150-M191 HydrophobicContact CG-SD 4.29Å; Y150-R195 HydrophobicContact CE1-CG 4.44Å; Y150-R195 HydrophobicContact CE2-CB 4.4Å; Y150-R195 HydrophobicContact CE2-CG 4.27Å; Y150-R195 VanDerWaalsContact OH-CD 3.31Å; Y150-R195 WeakPolarHBondContact OH-CD 3.34Å; Y150-R195 PolarHBondContact OH-NE 3.31Å; Y150-R195 PolarHBondContact OH-NH2 2.99Å; Y150-L198 HydrophobicContact CG-CD1 4.46Å |
| 151 | S | 84.7 | Confident | 86.9 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 13% | 0.126 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.5 | -33.4 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | L147 M148 I153 | L147-S151 PolarHBondContact O-N 3.37Å; M148-S151 PolarHBondContact O-N 3.49Å; M148-S151 VanDerWaalsContact O-N 3.16Å; S151-I153 VanDerWaalsContact C-N 3.29Å; S151-I153 PolarHBondContact O-N 3.33Å |
| 152 | D | 84.3 | Confident | 86.8 | Confident | 111 Ų | 111 | 72.5 Ų | 72.5 | 59% | 0.594 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -14.2 | 179.8 | -70.7 | -20.4 | 0 | 0 | 0 | 114.3 | M148 K149 Y150 H154 | M148-D152 PolarHBondContact O-N 2.95Å; M148-D152 VanDerWaalsContact O-N 3.13Å; K149-D152 PolarHBondContact O-N 2.79Å; Y150-D152 PolarHBondContact O-N 3.46Å; D152-H154 VanDerWaalsContact C-N 3.28Å; D152-H154 PolarHBondContact O-N 3.02Å; D152-H154 PolarHBondContact O-ND1 3.1Å |
| 153 | I | 83.5 | Confident | 86.7 | Confident | 88 Ų | 88 | 71.3 Ų | 71.3 | 45% | 0.451 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -23.1 | -179.6 | -50.2 | 179.6 | 0 | 0 | 0 | 111.6 | K149 Y150 S151 E155 | K149-I153 VanDerWaalsContact O-CG1 3.3Å; K149-I153 WeakPolarHBondContact O-CG1 3.39Å; Y150-I153 HydrophobicContact CD2-CD1 4.26Å; Y150-I153 WeakPolarHBondContact O-CB 3.29Å; Y150-I153 WeakPolarHBondContact O-CG1 3.42Å; Y150-I153 PolarHBondContact O-N 3.32Å; Y150-I153 VanDerWaalsContact O-N 3.08Å; S151-I153 VanDerWaalsContact C-N 3.29Å; S151-I153 PolarHBondContact O-N 3.33Å; I153-E155 HydrophobicContact CG2-CB 4.41Å; I153-E155 VanDerWaalsContact CG2-CD 3.46Å; I153-E155 HydrophobicContact CG2-CG 3.71Å; I153-E155 WeakPolarHBondContact CG2-OE1 3.39Å; I153-E155 PolarHBondContact O-N 2.88Å |
| 154 | H | 80.3 | Confident | 86.5 | Confident | 126 Ų | 126 | 74.5 Ų | 74.5 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | trans | 56.7 | 30 | 178.5 | -65.9 | 78.5 | 0 | 0 | 0 | 114.8 | D152 R188 | D152-H154 VanDerWaalsContact C-N 3.28Å; D152-H154 PolarHBondContact O-N 3.02Å; D152-H154 PolarHBondContact O-ND1 3.1Å; H154-R188 PolarHBondContact CD2-NH1 2.83Å; H154-R188 PolarHBondContact NE2-NH1 3.45Å | ||
| 155 | E | 76.3 | Confident | 86.2 | Confident | 125 Ų | 125 | 72.4 Ų | 72.4 | 58% | 0.584 | 38% | 0.381 | S | S | * | . | trans | -82.9 | 139.5 | -179.4 | -86 | 172 | -172.7 | 0 | 0 | 113.2 | I153 | I153-E155 HydrophobicContact CG2-CB 4.41Å; I153-E155 VanDerWaalsContact CG2-CD 3.46Å; I153-E155 HydrophobicContact CG2-CG 3.71Å; I153-E155 WeakPolarHBondContact CG2-OE1 3.39Å; I153-E155 PolarHBondContact O-N 2.88Å | ||
| 156 | Y | 74.2 | Confident | 86.2 | Confident | 197 Ų | 197 | 71.7 Ų | 71.7 | 77% | 0.773 | 38% | 0.376 | S | S | * | . | trans | -65.6 | 152.2 | 169.6 | -76.4 | -70 | 0 | 0 | 0 | 111.8 | R195 | Y156-R195 PolarHBondContact O-NH2 3.48Š| ||
| 157 | S | 76.9 | Confident | 86.3 | Confident | 25 Ų | 25 | 74.7 Ų | 74.7 | 18% | 0.175 | 39% | 0.392 | C | S | . | . | trans | -122.8 | 157.5 | 168.8 | -155.3 | 0 | 0 | 0 | 0 | 109.3 | A159 Q164 R195 | S157-A159 WeakPolarHBondContact OG-CB 3.42Å; S157-A159 PolarHBondContact OG-N 3.38Å; S157-Q164 VanDerWaalsContact C-OE1 3.29Å; S157-Q164 PolarHBondContact O-OE1 3.39Å; S157-R195 PolarHBondContact OG-NH2 2.9Å | ||
| 158 | W | 85.5 | Confident | 86.4 | Confident | 239 Ų | 239 | 75.8 Ų | 75.8 | 91% | 0.905 | 40% | 0.404 | S | S | * | . | trans | -122.8 | 19.8 | 160.9 | -77.1 | -94.9 | 0 | 0 | 0 | 111 | ||||
| 159 | A | 84.4 | Confident | 86.8 | Confident | 27 Ų | 27 | 75.2 Ų | 75.2 | 22% | 0.223 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -104.8 | 166.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S157 Q164 E194 | S157-A159 WeakPolarHBondContact OG-CB 3.42Å; S157-A159 PolarHBondContact OG-N 3.38Å; A159-Q164 PolarHBondContact O-NE2 2.98Å; A159-E194 HydrophobicContact CB-CB 4.08Å; A159-E194 HydrophobicContact CB-CG 3.88Å |
| 160 | A | 86.8 | Confident | 87.2 | Confident | 72 Ų | 72 | 71.8 Ų | 71.8 | 60% | 0.595 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -56 | 151.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 161 | P | 91.1 | Very high | 87.8 | Confident | 33 Ų | 33 | 78.5 Ų | 78.5 | 21% | 0.214 | 42% | 0.419 | C | S | . | . | S | Bend | cis | -77 | 159.2 | 3.5 | -18.2 | 33.2 | 0 | 0 | 0 | 115.3 | H163 Q164 | P161-H163 VanDerWaalsContact CB-NE2 3.33Å; P161-H163 WeakPolarHBondContact CB-NE2 3.17Å; P161-H163 PolarHBondContact O-N 2.85Å; P161-H163 VanDerWaalsContact O-N 3.07Å; P161-Q164 PolarHBondContact O-N 3.2Å; P161-Q164 VanDerWaalsContact O-N 3.08Å; P161-Q164 PolarHBondContact O-NE2 3.07Å |
| 162 | G | 91.7 | Very high | 88.4 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 78% | 0.784 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q164 | G162-Q164 VanDerWaalsContact C-N 3.34Š|
| 163 | H | 93.3 | Very high | 89 | Confident | 19 Ų | 19 | 81.2 Ų | 81.2 | 9% | 0.088 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -11 | 176.9 | 64.6 | 79.4 | 0 | 0 | 0 | 113.9 | P161 G165 G166 V167 G168 F169 F187 D190 | P161-H163 VanDerWaalsContact CB-NE2 3.33Å; P161-H163 WeakPolarHBondContact CB-NE2 3.17Å; P161-H163 PolarHBondContact O-N 2.85Å; P161-H163 VanDerWaalsContact O-N 3.07Å; H163-G165 PolarHBondContact ND1-N 3.36Å; H163-G165 PolarHBondContact O-N 2.98Å; H163-G166 PolarHBondContact ND1-N 2.93Å; H163-G166 CarbonylContact O-C 3.53Å; H163-G166 PolarHBondContact O-N 3.16Å; H163-V167 PolarHBondContact O-N 2.96Å; H163-G168 PolarHBondContact O-N 2.9Å; H163-F169 HydrophobicContact CB-CD2 3.82Å; H163-F169 HydrophobicContact CB-CE2 3.56Å; H163-F169 HydrophobicContact CB-CZ 4.21Å; H163-F169 AromaticContact CG-CE2 3.75Å; H163-F187 PolarHBondContact CE1-O 3.48Å; H163-D190 IonicContact CE1-OD2 3.3Å; H163-D190 IonicContact NE2-OD2 2.81Å; H163-D190 PolarHBondContact NE2-OD2 2.89Å; H163-D190 VanDerWaalsContact NE2-OD2 3.14Å |
| 164 | Q | 90.6 | Very high | 89.7 | Confident | 68 Ų | 68 | 80.6 Ų | 80.6 | 32% | 0.318 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | 51.5 | 57.8 | 174.2 | -57.8 | -61.2 | -47.6 | 0 | 0 | 113.3 | S157 A159 P161 G162 G166 | S157-Q164 VanDerWaalsContact C-OE1 3.29Å; S157-Q164 PolarHBondContact O-OE1 3.39Å; A159-Q164 PolarHBondContact O-NE2 2.98Å; P161-Q164 PolarHBondContact O-N 3.2Å; P161-Q164 VanDerWaalsContact O-N 3.08Å; P161-Q164 PolarHBondContact O-NE2 3.07Å; G162-Q164 VanDerWaalsContact C-N 3.34Å; Q164-G166 PolarHBondContact O-N 3.41Å |
| 165 | G | 88.7 | Confident | 90.6 | Very high | 23 Ų | 23 | 75 Ų | 75 | 24% | 0.237 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | 74.3 | 11.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H163 F187 | H163-G165 PolarHBondContact ND1-N 3.36Å; H163-G165 PolarHBondContact O-N 2.98Å; G165-F187 WeakPolarHBondContact CA-O 3.44Å; G165-F187 WeakPolarHBondContact O-CB 3.19Å |
| 166 | G | 92.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.01 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | 113.1 | -15.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | H163 Q164 G168 F169 | H163-G166 PolarHBondContact ND1-N 2.93Å; H163-G166 CarbonylContact O-C 3.53Å; H163-G166 PolarHBondContact O-N 3.16Å; Q164-G166 PolarHBondContact O-N 3.41Å; G166-G168 PolarHBondContact O-N 3.07Å; G166-G168 VanDerWaalsContact O-N 3.14Å; G166-F169 WeakPolarHBondContact O-CB 3.4Å; G166-F169 PolarHBondContact O-N 3.37Å |
| 167 | V | 93.3 | Very high | 92.7 | Very high | 84 Ų | 84 | 73.5 Ų | 73.5 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32.3 | 179.3 | -179.5 | 0 | 0 | 0 | 0 | 112.9 | H163 F169 T170 | H163-V167 PolarHBondContact O-N 2.96Å; V167-F169 VanDerWaalsContact C-N 3.3Å; V167-F169 PolarHBondContact O-N 3.13Å; V167-T170 PolarHBondContact O-N 2.95Å; V167-T170 PolarHBondContact O-OG1 3.16Å |
| 168 | G | 94.8 | Very high | 93.7 | Very high | 26 Ų | 26 | 77.3 Ų | 77.3 | 27% | 0.268 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -38.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H163 G166 T170 K171 | H163-G168 PolarHBondContact O-N 2.9Å; G166-G168 PolarHBondContact O-N 3.07Å; G166-G168 VanDerWaalsContact O-N 3.14Å; G168-T170 VanDerWaalsContact C-N 3.34Å; G168-K171 WeakPolarHBondContact O-CG 3.48Å |
| 169 | F | 96.3 | Very high | 94.2 | Very high | 66 Ų | 66 | 66.6 Ų | 66.6 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -72.7 | -26.9 | 179.9 | -65.6 | -62.5 | 0 | 0 | 0 | 112.2 | H163 G166 V167 K171 G175 R176 Y178 H179 F187 | H163-F169 HydrophobicContact CB-CD2 3.82Å; H163-F169 HydrophobicContact CB-CE2 3.56Å; H163-F169 HydrophobicContact CB-CZ 4.21Å; H163-F169 AromaticContact CG-CE2 3.75Å; G166-F169 WeakPolarHBondContact O-CB 3.4Å; G166-F169 PolarHBondContact O-N 3.37Å; V167-F169 VanDerWaalsContact C-N 3.3Å; V167-F169 PolarHBondContact O-N 3.13Å; F169-K171 PolarHBondContact O-N 3.23Å; F169-G175 CarbonylContact O-C 3.56Å; F169-G175 WeakPolarHBondContact O-CA 3.49Å; F169-R176 PolarHBondContact O-N 2.85Å; F169-Y178 HydrophobicContact CD1-CD1 4.16Å; F169-Y178 HydrophobicContact CD2-CD1 4.47Å; F169-Y178 HydrophobicContact CE1-CD1 4.29Å; F169-Y178 HydrophobicContact CE1-CE1 4.25Å; F169-Y178 HydrophobicContact CE2-CE1 4.29Å; F169-Y178 HydrophobicContact CG-CD1 4.26Å; F169-Y178 HydrophobicContact CZ-CE1 4.12Å; F169-H179 HydrophobicContact CB-CB 4.24Å; F169-F187 HydrophobicContact CD2-CD1 4.01Å; F169-F187 AromaticContact CD2-CE1 3.99Å; F169-F187 HydrophobicContact CD2-CE1 3.99Å; F169-F187 AromaticContact CE2-CD1 3.82Å; F169-F187 HydrophobicContact CE2-CD1 3.82Å; F169-F187 AromaticContact CE2-CE1 3.78Å; F169-F187 HydrophobicContact CE2-CE1 3.78Å |
| 170 | T | 96.4 | Very high | 94.8 | Very high | 58 Ų | 58 | 69.3 Ų | 69.3 | 36% | 0.356 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -73.6 | 1.6 | -179.5 | 72.5 | 0 | 0 | 0 | 0 | 114 | V167 G168 | V167-T170 PolarHBondContact O-N 2.95Å; V167-T170 PolarHBondContact O-OG1 3.16Å; G168-T170 VanDerWaalsContact C-N 3.34Å |
| 171 | K | 97.3 | Very high | 95.3 | Very high | 167 Ų | 167 | 74.8 Ų | 74.8 | 73% | 0.726 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -82.8 | -13.1 | -176.3 | -63.6 | -178.1 | -179.4 | 178.1 | 0 | 114.2 | G168 F169 | G168-K171 WeakPolarHBondContact O-CG 3.48Å; F169-K171 PolarHBondContact O-N 3.23Å |
| 172 | T | 97.9 | Very high | 95.5 | Very high | 81 Ų | 81 | 79 Ų | 79 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -135.1 | 155.7 | 176 | 70.5 | 0 | 0 | 0 | 0 | 110.6 | A174 G175 R176 | T172-A174 VanDerWaalsContact C-N 3.32Å; T172-A174 PolarHBondContact O-N 3.45Å; T172-G175 PolarHBondContact O-N 2.97Å; T172-G175 PolarHBondContact OG1-N 2.97Å; T172-G175 VanDerWaalsContact OG1-N 3.09Å; T172-R176 PolarHBondContact O-N 3.22Å |
| 173 | P | 98.2 | Very high | 95.7 | Very high | 104 Ų | 104 | 76.8 Ų | 76.8 | 68% | 0.675 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -56.7 | -43.6 | 175.4 | -27.2 | 35.7 | 0 | 0 | 0 | 112.9 | G175 R176 F177 | P173-G175 PolarHBondContact O-N 2.96Å; P173-R176 PolarHBondContact O-N 3Å; P173-F177 WeakPolarHBondContact O-CD2 3.08Å; P173-F177 PolarHBondContact O-N 3.35Å |
| 174 | A | 98.1 | Very high | 95.6 | Very high | 75 Ų | 75 | 80 Ų | 80 | 62% | 0.62 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T172 R176 F177 Y178 | T172-A174 VanDerWaalsContact C-N 3.32Å; T172-A174 PolarHBondContact O-N 3.45Å; A174-R176 VanDerWaalsContact C-N 3.32Å; A174-R176 PolarHBondContact O-N 3.03Å; A174-F177 PolarHBondContact O-N 2.9Å; A174-Y178 PolarHBondContact O-N 3.26Å |
| 175 | G | 97.8 | Very high | 95.7 | Very high | 10 Ų | 10 | 82.5 Ų | 82.5 | 10% | 0.103 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.1 | -31.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F169 T172 P173 Y178 H179 | F169-G175 CarbonylContact O-C 3.56Å; F169-G175 WeakPolarHBondContact O-CA 3.49Å; T172-G175 PolarHBondContact O-N 2.97Å; T172-G175 PolarHBondContact OG1-N 2.97Å; T172-G175 VanDerWaalsContact OG1-N 3.09Å; P173-G175 PolarHBondContact O-N 2.96Å; G175-Y178 WeakPolarHBondContact O-CB 3.3Å; G175-Y178 PolarHBondContact O-N 3Å; G175-H179 WeakPolarHBondContact O-CB 3.39Å; G175-H179 PolarHBondContact O-N 3Å |
| 176 | R | 97.5 | Very high | 95.8 | Very high | 126 Ų | 126 | 84 Ų | 84 | 48% | 0.475 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 173.1 | -178.2 | 64.7 | -168.2 | -141.4 | 11.1 | 111.8 | F169 T172 P173 A174 Y178 H179 D180 | F169-R176 PolarHBondContact O-N 2.85Å; T172-R176 PolarHBondContact O-N 3.22Å; P173-R176 PolarHBondContact O-N 3Å; A174-R176 VanDerWaalsContact C-N 3.32Å; A174-R176 PolarHBondContact O-N 3.03Å; R176-Y178 VanDerWaalsContact C-N 3.27Å; R176-Y178 PolarHBondContact O-N 2.99Å; R176-H179 PolarHBondContact O-N 3.43Å; R176-D180 IonicContact CZ-OD1 2.75Å; R176-D180 IonicContact CZ-OD2 3.14Å; R176-D180 IonicContact NE-OD1 3.51Å; R176-D180 PolarHBondContact NE-OD1 2.88Å; R176-D180 IonicContact NE-OD2 3.92Å; R176-D180 PolarHBondContact NE-OD2 3.17Å; R176-D180 IonicContact NH2-OD1 3.85Å; R176-D180 PolarHBondContact NH2-OD1 3.32Å; R176-D180 VanDerWaalsContact NH2-OD1 3.14Å; R176-D180 IonicContact NH2-OD2 2.7Å; R176-D180 PolarHBondContact NH2-OD2 3.04Å; R176-D180 WeakPolarHBondContact O-CB 3.23Å; R176-D180 PolarHBondContact O-N 3.19Å |
| 177 | F | 97.9 | Very high | 95.8 | Very high | 164 Ų | 164 | 84.3 Ų | 84.3 | 72% | 0.719 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -56.8 | -42.7 | 172.1 | -80.5 | -69.2 | 0 | 0 | 0 | 111.5 | P173 A174 Y181 | P173-F177 WeakPolarHBondContact O-CD2 3.08Å; P173-F177 PolarHBondContact O-N 3.35Å; A174-F177 PolarHBondContact O-N 2.9Å; F177-Y181 VanDerWaalsContact O-CB 3.26Å; F177-Y181 WeakPolarHBondContact O-CB 3.25Å; F177-Y181 PolarHBondContact O-N 2.75Å |
| 178 | Y | 97.2 | Very high | 95.5 | Very high | 105 Ų | 105 | 84 Ų | 84 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 176.1 | -176.4 | -91.2 | 0 | 0 | 0 | 112.6 | F169 A174 G175 R176 Y181 Y182 F187 | F169-Y178 HydrophobicContact CD1-CD1 4.16Å; F169-Y178 HydrophobicContact CD2-CD1 4.47Å; F169-Y178 HydrophobicContact CE1-CD1 4.29Å; F169-Y178 HydrophobicContact CE1-CE1 4.25Å; F169-Y178 HydrophobicContact CE2-CE1 4.29Å; F169-Y178 HydrophobicContact CG-CD1 4.26Å; F169-Y178 HydrophobicContact CZ-CE1 4.12Å; A174-Y178 PolarHBondContact O-N 3.26Å; G175-Y178 WeakPolarHBondContact O-CB 3.3Å; G175-Y178 PolarHBondContact O-N 3Å; R176-Y178 VanDerWaalsContact C-N 3.27Å; R176-Y178 PolarHBondContact O-N 2.99Å; Y178-Y181 PolarHBondContact O-N 3.2Å; Y178-Y182 HydrophobicContact CD1-CD2 4.36Å; Y178-Y182 HydrophobicContact CD2-CD2 4.27Å; Y178-Y182 AromaticContact CD2-CE2 4Å; Y178-Y182 HydrophobicContact CD2-CE2 4Å; Y178-Y182 HydrophobicContact CE1-CD2 4.03Å; Y178-Y182 HydrophobicContact CE1-CE2 4.24Å; Y178-Y182 AromaticContact CE2-CD2 3.95Å; Y178-Y182 HydrophobicContact CE2-CD2 3.95Å; Y178-Y182 AromaticContact CE2-CE2 3.41Å; Y178-Y182 HydrophobicContact CE2-CE2 3.41Å; Y178-Y182 VanDerWaalsContact CE2-CE2 3.41Å; Y178-Y182 HydrophobicContact CG-CD2 4.46Å; Y178-Y182 AromaticContact CZ-CD2 3.78Å; Y178-Y182 AromaticContact CZ-CE2 3.52Å; Y178-Y182 PolarHBondContact O-N 2.74Å; Y178-F187 HydrophobicContact CD1-CE1 4.2Å; Y178-F187 AromaticContact CD1-CZ 3.85Å; Y178-F187 HydrophobicContact CD1-CZ 3.85Å; Y178-F187 AromaticContact CE1-CE1 3.62Å; Y178-F187 HydrophobicContact CE1-CE1 3.62Å; Y178-F187 AromaticContact CE1-CZ 3.63Å; Y178-F187 HydrophobicContact CE1-CZ 3.63Å |
| 179 | H | 97.2 | Very high | 95.2 | Very high | 14 Ų | 14 | 84.1 Ų | 84.1 | 7% | 0.065 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 177.8 | 176.7 | -81.6 | 0 | 0 | 0 | 111.8 | F169 G175 R176 Y181 G183 F187 | F169-H179 HydrophobicContact CB-CB 4.24Å; G175-H179 WeakPolarHBondContact O-CB 3.39Å; G175-H179 PolarHBondContact O-N 3Å; R176-H179 PolarHBondContact O-N 3.43Å; H179-Y181 VanDerWaalsContact C-N 3.35Å; H179-Y181 PolarHBondContact O-N 2.64Å; H179-G183 WeakPolarHBondContact O-CA 3.42Å; H179-G183 PolarHBondContact O-N 2.76Å; H179-F187 HydrophobicContact CB-CE2 4.27Å; H179-F187 AromaticContact CD2-CD2 3.53Å; H179-F187 AromaticContact CD2-CE2 3.85Å; H179-F187 AromaticContact NE2-CD2 3.97Å |
| 180 | D | 97.1 | Very high | 94.9 | Very high | 84 Ų | 84 | 83.1 Ų | 83.1 | 45% | 0.449 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.8 | -31.6 | -177.3 | -67.5 | -13.5 | 0 | 0 | 0 | 112.1 | R176 | R176-D180 IonicContact CZ-OD1 2.75Å; R176-D180 IonicContact CZ-OD2 3.14Å; R176-D180 IonicContact NE-OD1 3.51Å; R176-D180 PolarHBondContact NE-OD1 2.88Å; R176-D180 IonicContact NE-OD2 3.92Å; R176-D180 PolarHBondContact NE-OD2 3.17Å; R176-D180 IonicContact NH2-OD1 3.85Å; R176-D180 PolarHBondContact NH2-OD1 3.32Å; R176-D180 VanDerWaalsContact NH2-OD1 3.14Å; R176-D180 IonicContact NH2-OD2 2.7Å; R176-D180 PolarHBondContact NH2-OD2 3.04Å; R176-D180 WeakPolarHBondContact O-CB 3.23Å; R176-D180 PolarHBondContact O-N 3.19Å |
| 181 | Y | 97.3 | Very high | 94.3 | Very high | 187 Ų | 187 | 81.2 Ų | 81.2 | 73% | 0.733 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.7 | -46.3 | 176.6 | -180 | -94 | 0 | 0 | 0 | 112.7 | F177 Y178 H179 | F177-Y181 VanDerWaalsContact O-CB 3.26Å; F177-Y181 WeakPolarHBondContact O-CB 3.25Å; F177-Y181 PolarHBondContact O-N 2.75Å; Y178-Y181 PolarHBondContact O-N 3.2Å; H179-Y181 VanDerWaalsContact C-N 3.35Å; H179-Y181 PolarHBondContact O-N 2.64Å |
| 182 | Y | 95.2 | Very high | 93.5 | Very high | 122 Ų | 122 | 74 Ų | 74 | 48% | 0.478 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -84 | -27.5 | 179.8 | -78.6 | -74.7 | 0 | 0 | 0 | 113.7 | Y178 L186 F187 | Y178-Y182 HydrophobicContact CD1-CD2 4.36Å; Y178-Y182 HydrophobicContact CD2-CD2 4.27Å; Y178-Y182 AromaticContact CD2-CE2 4Å; Y178-Y182 HydrophobicContact CD2-CE2 4Å; Y178-Y182 HydrophobicContact CE1-CD2 4.03Å; Y178-Y182 HydrophobicContact CE1-CE2 4.24Å; Y178-Y182 AromaticContact CE2-CD2 3.95Å; Y178-Y182 HydrophobicContact CE2-CD2 3.95Å; Y178-Y182 AromaticContact CE2-CE2 3.41Å; Y178-Y182 HydrophobicContact CE2-CE2 3.41Å; Y178-Y182 VanDerWaalsContact CE2-CE2 3.41Å; Y178-Y182 HydrophobicContact CG-CD2 4.46Å; Y178-Y182 AromaticContact CZ-CD2 3.78Å; Y178-Y182 AromaticContact CZ-CE2 3.52Å; Y178-Y182 PolarHBondContact O-N 2.74Å; Y182-L186 HydrophobicContact CD1-CD2 3.65Å; Y182-L186 HydrophobicContact CE1-CD2 4.45Å; Y182-L186 HydrophobicContact CG-CD2 3.83Å; Y182-F187 HydrophobicContact CD2-CZ 4.25Å; Y182-F187 HydrophobicContact CG-CZ 4.32Å |
| 183 | G | 94.7 | Very high | 92.6 | Very high | 28 Ų | 28 | 74.5 Ų | 74.5 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | trans | 86.3 | 149.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H179 N185 L186 F187 | H179-G183 WeakPolarHBondContact O-CA 3.42Å; H179-G183 PolarHBondContact O-N 2.76Å; G183-N185 VanDerWaalsContact C-N 3.34Å; G183-N185 PolarHBondContact O-N 3.26Å; G183-L186 PolarHBondContact O-N 2.84Å; G183-F187 WeakPolarHBondContact O-CD2 3.34Å; G183-F187 WeakPolarHBondContact O-CE2 3.49Å | ||
| 184 | E | 92 | Very high | 91.2 | Very high | 86 Ų | 86 | 76 Ų | 76 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.6 | -35.9 | -170.4 | -175.7 | 166.7 | -172.5 | 0 | 0 | 114 | L186 F187 R188 | E184-L186 VanDerWaalsContact C-N 3.28Å; E184-L186 PolarHBondContact O-N 2.98Å; E184-F187 PolarHBondContact O-N 3.18Å; E184-F187 VanDerWaalsContact O-N 3.1Å; E184-R188 HydrophobicContact CG-CG 4.06Å; E184-R188 PolarHBondContact O-N 2.79Å; E184-R188 IonicContact OE1-CZ 2.81Å; E184-R188 IonicContact OE1-NE 3.5Å; E184-R188 PolarHBondContact OE1-NE 3.17Å; E184-R188 IonicContact OE1-NH2 2.68Å; E184-R188 PolarHBondContact OE1-NH2 3.38Å |
| 185 | N | 91.7 | Very high | 89.9 | Confident | 121 Ų | 121 | 74.9 Ų | 74.9 | 65% | 0.647 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.6 | -37.4 | -176 | -71.1 | -23.9 | 0 | 0 | 0 | 112.6 | G183 F187 R188 T189 | G183-N185 VanDerWaalsContact C-N 3.34Å; G183-N185 PolarHBondContact O-N 3.26Å; N185-F187 VanDerWaalsContact C-N 3.33Å; N185-F187 PolarHBondContact O-N 2.88Å; N185-R188 PolarHBondContact O-N 3Å; N185-T189 WeakPolarHBondContact O-CG2 3.36Å; N185-T189 PolarHBondContact O-N 3.44Å; N185-T189 PolarHBondContact O-OG1 3.15Å; N185-T189 VanDerWaalsContact O-OG1 3.07Å |
| 186 | L | 92.5 | Very high | 88.8 | Confident | 55 Ų | 55 | 80.4 Ų | 80.4 | 29% | 0.288 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.9 | -50.8 | 176.2 | 178.3 | 65.4 | 0 | 0 | 0 | 110.2 | Y182 G183 E184 R188 T189 D190 A427 | Y182-L186 HydrophobicContact CD1-CD2 3.65Å; Y182-L186 HydrophobicContact CE1-CD2 4.45Å; Y182-L186 HydrophobicContact CG-CD2 3.83Å; G183-L186 PolarHBondContact O-N 2.84Å; E184-L186 VanDerWaalsContact C-N 3.28Å; E184-L186 PolarHBondContact O-N 2.98Å; L186-R188 PolarHBondContact O-N 3.41Å; L186-T189 PolarHBondContact O-N 2.91Å; L186-T189 PolarHBondContact O-OG1 2.82Å; L186-D190 PolarHBondContact O-N 3.27Å; L186-A427 HydrophobicContact CD1-CB 3.95Å |
| 187 | F | 91.5 | Very high | 88.1 | Confident | 7 Ų | 7 | 78.4 Ų | 78.4 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.2 | -31 | -177.4 | -55.3 | -64.7 | 0 | 0 | 0 | 113.4 | H163 G165 F169 Y178 H179 Y182 G183 E184 N185 T189 D190 | H163-F187 PolarHBondContact CE1-O 3.48Å; G165-F187 WeakPolarHBondContact CA-O 3.44Å; G165-F187 WeakPolarHBondContact O-CB 3.19Å; F169-F187 HydrophobicContact CD2-CD1 4.01Å; F169-F187 AromaticContact CD2-CE1 3.99Å; F169-F187 HydrophobicContact CD2-CE1 3.99Å; F169-F187 AromaticContact CE2-CD1 3.82Å; F169-F187 HydrophobicContact CE2-CD1 3.82Å; F169-F187 AromaticContact CE2-CE1 3.78Å; F169-F187 HydrophobicContact CE2-CE1 3.78Å; Y178-F187 HydrophobicContact CD1-CE1 4.2Å; Y178-F187 AromaticContact CD1-CZ 3.85Å; Y178-F187 HydrophobicContact CD1-CZ 3.85Å; Y178-F187 AromaticContact CE1-CE1 3.62Å; Y178-F187 HydrophobicContact CE1-CE1 3.62Å; Y178-F187 AromaticContact CE1-CZ 3.63Å; Y178-F187 HydrophobicContact CE1-CZ 3.63Å; H179-F187 HydrophobicContact CB-CE2 4.27Å; H179-F187 AromaticContact CD2-CD2 3.53Å; H179-F187 AromaticContact CD2-CE2 3.85Å; H179-F187 AromaticContact NE2-CD2 3.97Å; Y182-F187 HydrophobicContact CD2-CZ 4.25Å; Y182-F187 HydrophobicContact CG-CZ 4.32Å; G183-F187 WeakPolarHBondContact O-CD2 3.34Å; G183-F187 WeakPolarHBondContact O-CE2 3.49Å; E184-F187 PolarHBondContact O-N 3.18Å; E184-F187 VanDerWaalsContact O-N 3.1Å; N185-F187 VanDerWaalsContact C-N 3.33Å; N185-F187 PolarHBondContact O-N 2.88Å; F187-T189 VanDerWaalsContact C-N 3.3Å; F187-D190 PolarHBondContact O-N 3.07Å |
| 188 | R | 88.1 | Confident | 87.6 | Confident | 79 Ų | 79 | 70.7 Ų | 70.7 | 30% | 0.298 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.7 | -28.5 | 174.5 | -72.1 | -161 | 172.1 | -179 | 1.8 | 113.1 | H154 E184 N185 L186 M191 | H154-R188 PolarHBondContact CD2-NH1 2.83Å; H154-R188 PolarHBondContact NE2-NH1 3.45Å; E184-R188 HydrophobicContact CG-CG 4.06Å; E184-R188 PolarHBondContact O-N 2.79Å; E184-R188 IonicContact OE1-CZ 2.81Å; E184-R188 IonicContact OE1-NE 3.5Å; E184-R188 PolarHBondContact OE1-NE 3.17Å; E184-R188 IonicContact OE1-NH2 2.68Å; E184-R188 PolarHBondContact OE1-NH2 3.38Å; N185-R188 PolarHBondContact O-N 3Å; L186-R188 PolarHBondContact O-N 3.41Å; R188-M191 WeakPolarHBondContact O-CG 3.29Å |
| 189 | T | 87.8 | Confident | 87.4 | Confident | 27 Ų | 27 | 66.2 Ų | 66.2 | 17% | 0.166 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -88.9 | -11.4 | 175.4 | 61.7 | 0 | 0 | 0 | 0 | 114 | N185 L186 F187 M191 | N185-T189 WeakPolarHBondContact O-CG2 3.36Å; N185-T189 PolarHBondContact O-N 3.44Å; N185-T189 PolarHBondContact O-OG1 3.15Å; N185-T189 VanDerWaalsContact O-OG1 3.07Å; L186-T189 PolarHBondContact O-N 2.91Å; L186-T189 PolarHBondContact O-OG1 2.82Å; F187-T189 VanDerWaalsContact C-N 3.3Å; T189-M191 PolarHBondContact O-N 3.38Å |
| 190 | D | 90 | Very high | 87.2 | Confident | 46 Ų | 46 | 66 Ų | 66 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | trans | -79.1 | 99.3 | 171.5 | -171.7 | 14.5 | 0 | 0 | 0 | 110.5 | H163 L186 F187 L425 | H163-D190 IonicContact CE1-OD2 3.3Å; H163-D190 IonicContact NE2-OD2 2.81Å; H163-D190 PolarHBondContact NE2-OD2 2.89Å; H163-D190 VanDerWaalsContact NE2-OD2 3.14Å; L186-D190 PolarHBondContact O-N 3.27Å; F187-D190 PolarHBondContact O-N 3.07Å; D190-L425 HydrophobicContact CB-CD1 4.16Å | ||
| 191 | M | 83.4 | Confident | 87.1 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | trans | -138.1 | 158.8 | -164.8 | -62.8 | -175.9 | -70.7 | 0 | 0 | 112.4 | L147 Y150 R188 T189 L198 Y426 | L147-M191 HydrophobicContact CD2-CE 3.47Å; L147-M191 VanDerWaalsContact CD2-CE 3.47Å; Y150-M191 HydrophobicContact CD1-CE 3.71Å; Y150-M191 HydrophobicContact CD1-SD 3.18Å; Y150-M191 WeakPolarHBondContact CD1-SD 3.47Å; Y150-M191 HydrophobicContact CE1-CE 4.24Å; Y150-M191 HydrophobicContact CE1-SD 3.11Å; Y150-M191 WeakPolarHBondContact CE1-SD 3.49Å; Y150-M191 HydrophobicContact CG-CE 4.46Å; Y150-M191 HydrophobicContact CG-SD 4.29Å; R188-M191 WeakPolarHBondContact O-CG 3.29Å; T189-M191 PolarHBondContact O-N 3.38Å; M191-L198 HydrophobicContact CE-CD1 3.49Å; M191-L198 VanDerWaalsContact CE-CD1 3.49Å; M191-L198 HydrophobicContact SD-CD1 4.46Å; M191-Y426 HydrophobicContact CB-CD2 4.28Å; M191-Y426 HydrophobicContact CB-CE2 4.34Å; M191-Y426 HydrophobicContact CE-CD2 4.03Å; M191-Y426 HydrophobicContact CE-CE2 4.49Å | ||
| 192 | G | 81 | Confident | 87 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | trans | -97.2 | 170 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E194 R195 | G192-E194 PolarHBondContact O-N 3.37Å; G192-E194 VanDerWaalsContact O-N 3.12Å; G192-R195 PolarHBondContact O-N 3.29Å | ||
| 193 | I | 79.2 | Confident | 86.9 | Confident | 92 Ų | 92 | 53.5 Ų | 53.5 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -16.6 | -179.9 | 61.1 | 169.9 | 0 | 0 | 0 | 114.8 | R195 | I193-R195 PolarHBondContact O-N 2.72Š|
| 194 | E | 67.2 | Low | 87 | Confident | 135 Ų | 135 | 53.3 Ų | 53.3 | 63% | 0.631 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -17.9 | 179.2 | -53.8 | -73.5 | 176.6 | 0 | 0 | 112.2 | A159 G192 T196 | A159-E194 HydrophobicContact CB-CB 4.08Å; A159-E194 HydrophobicContact CB-CG 3.88Å; G192-E194 PolarHBondContact O-N 3.37Å; G192-E194 VanDerWaalsContact O-N 3.12Å; E194-T196 VanDerWaalsContact C-N 3.33Å; E194-T196 PolarHBondContact O-N 2.77Å; E194-T196 VanDerWaalsContact O-N 3.12Å |
| 195 | R | 72.1 | Confident | 87.1 | Confident | 51 Ų | 51 | 52.5 Ų | 52.5 | 19% | 0.192 | 29% | 0.285 | C | S | . | . | trans | -83.9 | 76.1 | 172.9 | -55.7 | -51.6 | -167.2 | 174.9 | 19.7 | 110.4 | Y150 Y156 S157 G192 I193 S197 L198 | Y150-R195 HydrophobicContact CE1-CG 4.44Å; Y150-R195 HydrophobicContact CE2-CB 4.4Å; Y150-R195 HydrophobicContact CE2-CG 4.27Å; Y150-R195 VanDerWaalsContact OH-CD 3.31Å; Y150-R195 WeakPolarHBondContact OH-CD 3.34Å; Y150-R195 PolarHBondContact OH-NE 3.31Å; Y150-R195 PolarHBondContact OH-NH2 2.99Å; Y156-R195 PolarHBondContact O-NH2 3.48Å; S157-R195 PolarHBondContact OG-NH2 2.9Å; G192-R195 PolarHBondContact O-N 3.29Å; I193-R195 PolarHBondContact O-N 2.72Å; R195-S197 PolarHBondContact O-N 3.33Å; R195-L198 HydrophobicContact CB-CD1 4.39Å; R195-L198 PolarHBondContact O-N 2.84Å; R195-L198 VanDerWaalsContact O-N 3.1Å | ||
| 196 | T | 74.5 | Confident | 87.3 | Confident | 127 Ų | 127 | 48.7 Ų | 48.7 | 78% | 0.779 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -23.1 | -175.9 | 55.7 | 0 | 0 | 0 | 0 | 115 | E194 L198 G199 | E194-T196 VanDerWaalsContact C-N 3.33Å; E194-T196 PolarHBondContact O-N 2.77Å; E194-T196 VanDerWaalsContact O-N 3.12Å; T196-L198 VanDerWaalsContact C-N 3.26Å; T196-L198 PolarHBondContact O-N 2.86Å; T196-G199 PolarHBondContact O-N 3.16Å |
| 197 | S | 81.8 | Confident | 87.4 | Confident | 84 Ų | 84 | 46.7 Ų | 46.7 | 59% | 0.587 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -24 | 178.4 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | R195 | R195-S197 PolarHBondContact O-N 3.33Š|
| 198 | L | 89 | Confident | 87.7 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -22.7 | 179.6 | -64 | 172.8 | 0 | 0 | 0 | 112.7 | A146 L147 Y150 M191 R195 T196 A207 Y426 | A146-L198 HydrophobicContact CB-CD2 3.63Å; L147-L198 HydrophobicContact CD2-CD1 3.73Å; L147-L198 HydrophobicContact CD2-CD2 4.19Å; Y150-L198 HydrophobicContact CG-CD1 4.46Å; M191-L198 HydrophobicContact CE-CD1 3.49Å; M191-L198 VanDerWaalsContact CE-CD1 3.49Å; M191-L198 HydrophobicContact SD-CD1 4.46Å; R195-L198 HydrophobicContact CB-CD1 4.39Å; R195-L198 PolarHBondContact O-N 2.84Å; R195-L198 VanDerWaalsContact O-N 3.1Å; T196-L198 VanDerWaalsContact C-N 3.26Å; T196-L198 PolarHBondContact O-N 2.86Å; L198-A207 WeakPolarHBondContact O-CB 3.06Å; L198-A207 PolarHBondContact O-N 3.07Å; L198-Y426 HydrophobicContact CD1-CD2 4.19Å; L198-Y426 HydrophobicContact CD1-CE2 3.77Å |
| 199 | G | 92.5 | Very high | 88.1 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.6 | -159.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T196 T205 | T196-G199 PolarHBondContact O-N 3.16Å; G199-T205 WeakPolarHBondContact CA-O 3.37Å |
| 200 | S | 93.8 | Very high | 88.5 | Confident | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 132.8 | -171.8 | 165.6 | 0 | 0 | 0 | 0 | 110.8 | L202 D203 H204 T205 | S200-L202 PolarHBondContact OG-N 2.62Å; S200-D203 WeakPolarHBondContact CB-OD2 3.44Å; S200-D203 PolarHBondContact OG-N 3.24Å; S200-D203 PolarHBondContact OG-OD2 2.9Å; S200-H204 PolarHBondContact O-N 3.11Å; S200-T205 PolarHBondContact N-O 3.3Å; S200-T205 PolarHBondContact N-OG1 3.31Å; S200-T205 PolarHBondContact O-N 3.15Å; S200-T205 VanDerWaalsContact O-N 3.16Å |
| 201 | L | 94.5 | Very high | 88.9 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -38.1 | 175.2 | 178.5 | 65.8 | 0 | 0 | 0 | 112.1 | H204 F208 V228 Y416 P424 | L201-H204 PolarHBondContact O-CE1 2.9Å; L201-F208 HydrophobicContact CB-CD1 3.79Å; L201-F208 HydrophobicContact CB-CE1 3.91Å; L201-F208 HydrophobicContact CB-CG 4.22Å; L201-F208 HydrophobicContact CB-CZ 4.45Å; L201-F208 HydrophobicContact CD1-CD1 3.83Å; L201-F208 HydrophobicContact CD1-CE1 4.29Å; L201-F208 HydrophobicContact CG-CD1 4.39Å; L201-V228 HydrophobicContact CD2-CG1 4.45Å; L201-V228 HydrophobicContact CD2-CG2 4.41Å; L201-Y416 WeakPolarHBondContact CD1-OH 3Å; L201-Y416 WeakPolarHBondContact CG-OH 3.43Å; L201-P424 HydrophobicContact CB-CG 4.2Å; L201-P424 HydrophobicContact CD2-CB 3.64Å; L201-P424 HydrophobicContact CD2-CG 3.72Å |
| 202 | L | 94.7 | Very high | 89.6 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -31.1 | -177.1 | -70.2 | 165.8 | 0 | 0 | 0 | 112.4 | S200 H204 N413 Y416 M417 A420 T422 | S200-L202 PolarHBondContact OG-N 2.62Å; L202-H204 PolarHBondContact O-CD2 3.27Å; L202-N413 PolarHBondContact O-ND2 3.05Å; L202-Y416 HydrophobicContact CD2-CE1 4.21Å; L202-M417 HydrophobicContact CD2-CB 4.36Å; L202-M417 HydrophobicContact CD2-CG 3.9Å; L202-A420 HydrophobicContact CD2-CB 3.57Å; L202-T422 HydrophobicContact CD1-CG2 4.11Å |
| 203 | D | 93.7 | Very high | 90.5 | Very high | 103 Ų | 103 | 49 Ų | 49 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -8.1 | 178.9 | -54.3 | -57.7 | 0 | 0 | 0 | 112.5 | S200 T205 | S200-D203 WeakPolarHBondContact CB-OD2 3.44Å; S200-D203 PolarHBondContact OG-N 3.24Å; S200-D203 PolarHBondContact OG-OD2 2.9Å; D203-T205 HydrophobicContact CB-CG2 4.03Å; D203-T205 WeakPolarHBondContact O-CG2 3.1Å; D203-T205 PolarHBondContact O-N 2.91Å |
| 204 | H | 95.5 | Very high | 91.3 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 12% | 0.116 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 45.3 | -177.7 | -53.8 | -77.4 | 0 | 0 | 0 | 112.9 | S200 L201 L202 E212 W225 F409 N413 Y416 | S200-H204 PolarHBondContact O-N 3.11Å; L201-H204 PolarHBondContact O-CE1 2.9Å; L202-H204 PolarHBondContact O-CD2 3.27Å; H204-E212 IonicContact CE1-OE1 2.64Å; H204-E212 PolarHBondContact CE1-OE1 2.88Å; H204-E212 IonicContact CE1-OE2 3.78Å; H204-E212 IonicContact CG-OE2 3.65Å; H204-E212 VanDerWaalsContact ND1-CD 3.27Å; H204-E212 IonicContact ND1-OE1 3.86Å; H204-E212 PolarHBondContact ND1-OE1 3.3Å; H204-E212 IonicContact ND1-OE2 3.47Å; H204-E212 PolarHBondContact ND1-OE2 3.42Å; H204-W225 AromaticContact CE1-CD1 3.25Å; H204-W225 AromaticContact CE1-NE1 3.45Å; H204-W225 PolarHBondContact CE1-NE1 2.81Å; H204-W225 AromaticContact NE2-CD1 3.77Å; H204-W225 AromaticContact NE2-NE1 3.58Å; H204-F409 HydrophobicContact CB-CZ 4.06Å; H204-F409 AromaticContact CD2-CZ 3.44Å; H204-F409 VanDerWaalsContact CD2-CZ 3.44Å; H204-F409 WeakPolarHBondContact CD2-CZ 3.28Å; H204-F409 AromaticContact CG-CZ 3.79Å; H204-N413 PolarHBondContact NE2-OD1 2.81Å; H204-Y416 AromaticContact CE1-CE1 3.72Å; H204-Y416 AromaticContact NE2-CD1 3.84Å; H204-Y416 AromaticContact NE2-CE1 3.84Å |
| 205 | T | 95.5 | Very high | 92.8 | Very high | 68 Ų | 68 | 40.1 Ų | 40.1 | 42% | 0.417 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 164.3 | -174.9 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | G199 S200 D203 F208 G209 | G199-T205 WeakPolarHBondContact CA-O 3.37Å; S200-T205 PolarHBondContact N-O 3.3Å; S200-T205 PolarHBondContact N-OG1 3.31Å; S200-T205 PolarHBondContact O-N 3.15Å; S200-T205 VanDerWaalsContact O-N 3.16Å; D203-T205 HydrophobicContact CB-CG2 4.03Å; D203-T205 WeakPolarHBondContact O-CG2 3.1Å; D203-T205 PolarHBondContact O-N 2.91Å; T205-F208 PolarHBondContact O-N 3.05Å; T205-G209 PolarHBondContact O-N 2.85Å |
| 206 | G | 95 | Very high | 94.1 | Very high | 42 Ų | 42 | 38.1 Ų | 38.1 | 43% | 0.433 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | 59.5 | -141.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F208 G209 E210 | G206-F208 PolarHBondContact O-N 3.32Å; G206-G209 PolarHBondContact O-N 2.95Å; G206-E210 PolarHBondContact O-N 2.89Å; G206-E210 VanDerWaalsContact O-N 3.12Å |
| 207 | A | 95.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -28.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L143 A146 L198 S211 | L143-A207 HydrophobicContact CD1-CB 4.09Å; A146-A207 HydrophobicContact CB-CB 3.61Å; L198-A207 WeakPolarHBondContact O-CB 3.06Å; L198-A207 PolarHBondContact O-N 3.07Å; A207-S211 WeakPolarHBondContact O-CB 3.5Å; A207-S211 PolarHBondContact O-N 3.12Å; A207-S211 PolarHBondContact O-OG 3.37Å |
| 208 | F | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.7 | -52.4 | 171.6 | -73.3 | -81.2 | 0 | 0 | 0 | 111.8 | L143 L201 T205 G206 E210 S211 E212 Y426 C429 | L143-F208 HydrophobicContact CD1-CD1 4.09Å; L143-F208 HydrophobicContact CD1-CD2 4.08Å; L143-F208 HydrophobicContact CD1-CE1 3.91Å; L143-F208 HydrophobicContact CD1-CE2 3.9Å; L143-F208 HydrophobicContact CD1-CG 4.18Å; L143-F208 HydrophobicContact CD1-CZ 3.8Å; L143-F208 HydrophobicContact CD2-CD1 3.84Å; L143-F208 HydrophobicContact CD2-CE1 3.64Å; L143-F208 HydrophobicContact CD2-CZ 4.29Å; L143-F208 HydrophobicContact CG-CE1 4.45Å; L201-F208 HydrophobicContact CB-CD1 3.79Å; L201-F208 HydrophobicContact CB-CE1 3.91Å; L201-F208 HydrophobicContact CB-CG 4.22Å; L201-F208 HydrophobicContact CB-CZ 4.45Å; L201-F208 HydrophobicContact CD1-CD1 3.83Å; L201-F208 HydrophobicContact CD1-CE1 4.29Å; L201-F208 HydrophobicContact CG-CD1 4.39Å; T205-F208 PolarHBondContact O-N 3.05Å; G206-F208 PolarHBondContact O-N 3.32Å; F208-E210 VanDerWaalsContact C-N 3.28Å; F208-E210 PolarHBondContact O-N 3.44Å; F208-S211 PolarHBondContact O-N 3Å; F208-S211 VanDerWaalsContact O-N 3.13Å; F208-S211 PolarHBondContact O-OG 3.09Å; F208-E212 PolarHBondContact O-N 2.88Å; F208-Y426 HydrophobicContact CE2-CE1 4.09Å; F208-Y426 HydrophobicContact CE2-CE2 4.04Å; F208-Y426 AromaticContact CE2-CZ 3.73Å; F208-Y426 AromaticContact CZ-CD1 3.79Å; F208-Y426 HydrophobicContact CZ-CD1 3.79Å; F208-Y426 HydrophobicContact CZ-CD2 4.23Å; F208-Y426 AromaticContact CZ-CE1 3.56Å; F208-Y426 HydrophobicContact CZ-CE1 3.56Å; F208-Y426 AromaticContact CZ-CE2 3.99Å; F208-Y426 HydrophobicContact CZ-CE2 3.99Å; F208-Y426 HydrophobicContact CZ-CG 4.12Å; F208-Y426 AromaticContact CZ-CZ 3.65Å; F208-C429 HydrophobicContact CE1-CB 3.77Å |
| 209 | G | 97 | Very high | 96.4 | Very high | 6 Ų | 6 | 35 Ų | 35 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.1 | -35.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T205 G206 K213 | T205-G209 PolarHBondContact O-N 2.85Å; G206-G209 PolarHBondContact O-N 2.95Å; G209-K213 WeakPolarHBondContact O-CG 3.48Å; G209-K213 PolarHBondContact O-N 3.29Å |
| 210 | E | 97.5 | Very high | 96.6 | Very high | 93 Ų | 93 | 34.5 Ų | 34.5 | 44% | 0.435 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -70.6 | -37.6 | 174.2 | -62.5 | -50.6 | 125.4 | 0 | 0 | 112.7 | P142 G206 F208 E212 K213 Y214 | P142-E210 HydrophobicContact CB-CB 3.88Å; P142-E210 HydrophobicContact CG-CB 4.28Å; G206-E210 PolarHBondContact O-N 2.89Å; G206-E210 VanDerWaalsContact O-N 3.12Å; F208-E210 VanDerWaalsContact C-N 3.28Å; F208-E210 PolarHBondContact O-N 3.44Å; E210-E212 VanDerWaalsContact C-N 3.31Å; E210-E212 PolarHBondContact O-N 2.82Å; E210-K213 PolarHBondContact O-N 3.49Å; E210-K213 IonicContact OE1-NZ 2.72Å; E210-K213 PolarHBondContact OE1-NZ 2.83Å; E210-K213 IonicContact OE2-NZ 3.76Å; E210-Y214 WeakPolarHBondContact O-CB 3.42Å; E210-Y214 PolarHBondContact O-N 3.4Å |
| 211 | S | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -36.6 | 174.1 | 71.2 | 0 | 0 | 0 | 0 | 112.7 | A207 F208 Y214 A215 D433 | A207-S211 WeakPolarHBondContact O-CB 3.5Å; A207-S211 PolarHBondContact O-N 3.12Å; A207-S211 PolarHBondContact O-OG 3.37Å; F208-S211 PolarHBondContact O-N 3Å; F208-S211 VanDerWaalsContact O-N 3.13Å; F208-S211 PolarHBondContact O-OG 3.09Å; S211-Y214 WeakPolarHBondContact O-CB 3.3Å; S211-Y214 PolarHBondContact O-N 3.2Å; S211-A215 WeakPolarHBondContact O-CB 3.37Å; S211-A215 PolarHBondContact O-N 3.35Å; S211-D433 WeakPolarHBondContact CB-OD1 3.49Å |
| 212 | E | 98.5 | Very high | 97 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.8 | -39.3 | 177.7 | -75.4 | 176.7 | 152.6 | 0 | 0 | 112.4 | H204 F208 E210 Y214 A215 A216 S224 S226 | H204-E212 IonicContact CE1-OE1 2.64Å; H204-E212 PolarHBondContact CE1-OE1 2.88Å; H204-E212 IonicContact CE1-OE2 3.78Å; H204-E212 IonicContact CG-OE2 3.65Å; H204-E212 VanDerWaalsContact ND1-CD 3.27Å; H204-E212 IonicContact ND1-OE1 3.86Å; H204-E212 PolarHBondContact ND1-OE1 3.3Å; H204-E212 IonicContact ND1-OE2 3.47Å; H204-E212 PolarHBondContact ND1-OE2 3.42Å; F208-E212 PolarHBondContact O-N 2.88Å; E210-E212 VanDerWaalsContact C-N 3.31Å; E210-E212 PolarHBondContact O-N 2.82Å; E212-Y214 VanDerWaalsContact C-N 3.35Å; E212-A215 PolarHBondContact O-N 3.25Å; E212-A216 WeakPolarHBondContact O-CB 3.37Å; E212-A216 PolarHBondContact O-N 3.5Å; E212-S224 WeakPolarHBondContact CB-O 3.4Å; E212-S226 PolarHBondContact OE1-N 3.01Å |
| 213 | K | 98.3 | Very high | 97.1 | Very high | 127 Ų | 127 | 40.8 Ų | 40.8 | 55% | 0.552 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.9 | -40.6 | 171.3 | -67.9 | 170.3 | -169.3 | 168.5 | 0 | 111.5 | G209 E210 A216 R217 | G209-K213 WeakPolarHBondContact O-CG 3.48Å; G209-K213 PolarHBondContact O-N 3.29Å; E210-K213 PolarHBondContact O-N 3.49Å; E210-K213 IonicContact OE1-NZ 2.72Å; E210-K213 PolarHBondContact OE1-NZ 2.83Å; E210-K213 IonicContact OE2-NZ 3.76Å; K213-A216 PolarHBondContact O-N 2.98Å; K213-R217 PolarHBondContact O-N 2.72Å |
| 214 | Y | 98 | Very high | 97.3 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 16% | 0.161 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 176 | -178.2 | -115.8 | 0 | 0 | 0 | 111 | P141 E210 S211 E212 A216 R217 V218 V436 S437 D440 | P141-Y214 HydrophobicContact CB-CD1 4.28Å; P141-Y214 HydrophobicContact CB-CE1 4Å; E210-Y214 WeakPolarHBondContact O-CB 3.42Å; E210-Y214 PolarHBondContact O-N 3.4Å; S211-Y214 WeakPolarHBondContact O-CB 3.3Å; S211-Y214 PolarHBondContact O-N 3.2Å; E212-Y214 VanDerWaalsContact C-N 3.35Å; Y214-A216 PolarHBondContact O-N 3.02Å; Y214-R217 PolarHBondContact O-N 3.02Å; Y214-V218 HydrophobicContact CE1-CG2 4.47Å; Y214-V218 HydrophobicContact CE2-CG2 4.23Å; Y214-V218 WeakPolarHBondContact O-CG2 3.43Å; Y214-V218 PolarHBondContact O-N 3.3Å; Y214-V436 HydrophobicContact CD1-CB 4.26Å; Y214-V436 HydrophobicContact CD1-CG1 3.52Å; Y214-V436 HydrophobicContact CE1-CB 4.17Å; Y214-V436 HydrophobicContact CE1-CG1 3.51Å; Y214-V436 HydrophobicContact CG-CG1 4.4Å; Y214-S437 WeakPolarHBondContact OH-CA 3.27Å; Y214-D440 WeakPolarHBondContact CE2-OD2 3.31Å; Y214-D440 WeakPolarHBondContact OH-CB 3.41Å; Y214-D440 PolarHBondContact OH-OD2 3.31Å |
| 215 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S211 E212 R217 V218 F219 Y397 V436 | S211-A215 WeakPolarHBondContact O-CB 3.37Å; S211-A215 PolarHBondContact O-N 3.35Å; E212-A215 PolarHBondContact O-N 3.25Å; A215-R217 VanDerWaalsContact C-N 3.33Å; A215-R217 PolarHBondContact O-N 3.37Å; A215-V218 PolarHBondContact O-N 3.13Å; A215-F219 WeakPolarHBondContact O-CB 3.28Å; A215-F219 WeakPolarHBondContact O-CD2 3.33Å; A215-F219 PolarHBondContact O-N 3.39Å; A215-Y397 HydrophobicContact CB-CD1 4.35Å; A215-Y397 HydrophobicContact CB-CE1 3.73Å; A215-V436 HydrophobicContact CB-CG1 4.25Å; A215-V436 HydrophobicContact CB-CG2 3.72Å |
| 216 | A | 98.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 7% | 0.066 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.8 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E212 K213 Y214 G220 A221 S224 | E212-A216 WeakPolarHBondContact O-CB 3.37Å; E212-A216 PolarHBondContact O-N 3.5Å; K213-A216 PolarHBondContact O-N 2.98Å; Y214-A216 PolarHBondContact O-N 3.02Å; A216-G220 CarbonylContact O-C 3.57Å; A216-G220 WeakPolarHBondContact O-CA 3.49Å; A216-G220 PolarHBondContact O-N 2.85Å; A216-A221 PolarHBondContact O-N 2.84Å; A216-S224 WeakPolarHBondContact CA-OG 3.26Å; A216-S224 PolarHBondContact N-OG 3.03Å |
| 217 | R | 97.5 | Very high | 97.7 | Very high | 134 Ų | 134 | 30.4 Ų | 30.4 | 51% | 0.506 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62 | -51.3 | 175.2 | -177.4 | -172.3 | 63.3 | 97.4 | 11.4 | 112 | K213 Y214 A215 G220 D440 | K213-R217 PolarHBondContact O-N 2.72Å; Y214-R217 PolarHBondContact O-N 3.02Å; A215-R217 VanDerWaalsContact C-N 3.33Å; A215-R217 PolarHBondContact O-N 3.37Å; R217-G220 PolarHBondContact O-N 3.29Å; R217-D440 IonicContact CZ-OD1 3.34Å; R217-D440 IonicContact CZ-OD2 2.55Å; R217-D440 IonicContact NH1-OD1 3.85Å; R217-D440 IonicContact NH1-OD2 3.59Å; R217-D440 VanDerWaalsContact NH2-CG 3.3Å; R217-D440 IonicContact NH2-OD1 3.77Å; R217-D440 PolarHBondContact NH2-OD1 3.11Å; R217-D440 IonicContact NH2-OD2 3.14Å; R217-D440 PolarHBondContact NH2-OD2 2.96Å |
| 218 | V | 97.3 | Very high | 97.8 | Very high | 12 Ų | 12 | 30.2 Ų | 30.2 | 7% | 0.073 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.2 | -45.5 | -174.6 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | Y214 A215 G220 R356 F357 V436 M439 D440 | Y214-V218 HydrophobicContact CE1-CG2 4.47Å; Y214-V218 HydrophobicContact CE2-CG2 4.23Å; Y214-V218 WeakPolarHBondContact O-CG2 3.43Å; Y214-V218 PolarHBondContact O-N 3.3Å; A215-V218 PolarHBondContact O-N 3.13Å; V218-G220 PolarHBondContact O-N 3.16Å; V218-R356 PolarHBondContact O-NE 3.44Å; V218-F357 HydrophobicContact CG1-CE1 3.76Å; V218-F357 HydrophobicContact CG1-CZ 4.11Å; V218-V436 HydrophobicContact CB-CG1 3.76Å; V218-V436 HydrophobicContact CG1-CG1 4.06Å; V218-V436 HydrophobicContact CG2-CG1 3.75Å; V218-M439 HydrophobicContact CG1-CB 4.33Å; V218-D440 HydrophobicContact CG1-CB 4.39Å; V218-D440 HydrophobicContact CG2-CB 3.9Å |
| 219 | F | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -0.7 | 178.9 | -75.9 | -97.6 | 0 | 0 | 0 | 113.3 | A215 G353 R356 F357 M367 H383 L389 H399 V436 | A215-F219 WeakPolarHBondContact O-CB 3.28Å; A215-F219 WeakPolarHBondContact O-CD2 3.33Å; A215-F219 PolarHBondContact O-N 3.39Å; F219-G353 WeakPolarHBondContact CE1-O 3.39Å; F219-R356 VanDerWaalsContact C-NE 3.32Å; F219-R356 WeakPolarHBondContact O-CD 3.45Å; F219-R356 PolarHBondContact O-NE 3.27Å; F219-F357 HydrophobicContact CD1-CE2 4.35Å; F219-F357 AromaticContact CD1-CZ 3.89Å; F219-F357 HydrophobicContact CD1-CZ 3.89Å; F219-F357 HydrophobicContact CD2-CZ 4.27Å; F219-F357 AromaticContact CE1-CE2 3.77Å; F219-F357 HydrophobicContact CE1-CE2 3.77Å; F219-F357 AromaticContact CE1-CZ 3.64Å; F219-F357 HydrophobicContact CE1-CZ 3.64Å; F219-F357 HydrophobicContact CE2-CZ 4.01Å; F219-F357 HydrophobicContact CG-CZ 4.21Å; F219-F357 AromaticContact CZ-CE2 3.95Å; F219-F357 HydrophobicContact CZ-CE2 3.95Å; F219-F357 AromaticContact CZ-CZ 3.7Å; F219-F357 HydrophobicContact CZ-CZ 3.7Å; F219-M367 VanDerWaalsContact O-CB 3.24Å; F219-M367 WeakPolarHBondContact O-CB 3.3Å; F219-H383 AromaticContact CD1-CE1 3.76Å; F219-H383 AromaticContact CD1-ND1 3.62Å; F219-H383 AromaticContact CE1-CE1 3.95Å; F219-H383 AromaticContact CE1-ND1 3.48Å; F219-H383 WeakPolarHBondContact CE1-ND1 3.24Å; F219-L389 HydrophobicContact CE1-CD1 4.12Å; F219-L389 HydrophobicContact CZ-CD1 3.74Å; F219-H399 AromaticContact CD1-CE1 3.84Å; F219-H399 AromaticContact CD1-NE2 3.48Å; F219-H399 WeakPolarHBondContact CD1-NE2 3.46Å; F219-H399 AromaticContact CD2-CE1 3.82Å; F219-H399 AromaticContact CE1-NE2 3.94Å; F219-H399 AromaticContact CG-CE1 3.45Å; F219-H399 VanDerWaalsContact CG-CE1 3.45Å; F219-H399 WeakPolarHBondContact CG-CE1 3.35Å; F219-H399 AromaticContact CG-NE2 3.61Å; F219-V436 HydrophobicContact CD2-CG2 4.43Å; F219-V436 HydrophobicContact CE2-CB 4.34Å; F219-V436 HydrophobicContact CE2-CG1 4.35Å; F219-V436 HydrophobicContact CE2-CG2 3.83Å |
| 220 | G | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 51.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A216 R217 V218 R401 | A216-G220 CarbonylContact O-C 3.57Å; A216-G220 WeakPolarHBondContact O-CA 3.49Å; A216-G220 PolarHBondContact O-N 2.85Å; R217-G220 PolarHBondContact O-N 3.29Å; V218-G220 PolarHBondContact O-N 3.16Å; G220-R401 PolarHBondContact O-NH1 3.04Å; G220-R401 PolarHBondContact O-NH2 3.12Å |
| 221 | A | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.033 | 13% | 0.132 | C | C | . | . | trans | -114.2 | 158.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | A216 R223 M367 H399 | A216-A221 PolarHBondContact O-N 2.84Å; A221-R223 VanDerWaalsContact C-N 3.33Å; A221-R223 WeakPolarHBondContact CB-O 3.47Å; A221-M367 HydrophobicContact CB-SD 3.92Å; A221-H399 HydrophobicContact CB-CB 3.88Å | ||
| 222 | D | 97.9 | Very high | 97.9 | Very high | 63 Ų | 63 | 30.3 Ų | 30.3 | 34% | 0.337 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -70.7 | -36.7 | 169 | -68.8 | -76.4 | 0 | 0 | 0 | 110.8 | P371 V400 R401 E402 | D222-P371 WeakPolarHBondContact OD1-CB 3.45Å; D222-V400 PolarHBondContact N-O 3.3Å; D222-R401 VanDerWaalsContact OD2-CA 3.3Å; D222-R401 WeakPolarHBondContact OD2-CA 3.46Å; D222-R401 VanDerWaalsContact OD2-CD 3.27Å; D222-R401 WeakPolarHBondContact OD2-CD 3.48Å; D222-R401 IonicContact OD2-NH1 3.82Å; D222-E402 HydrophobicContact CB-CB 4.35Å; D222-E402 HydrophobicContact CB-CG 3.99Å; D222-E402 PolarHBondContact OD2-N 3.48Å |
| 223 | R | 97.6 | Very high | 97.8 | Very high | 101 Ų | 101 | 29.7 Ų | 29.7 | 38% | 0.381 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 149.4 | 178.4 | -63 | -176.7 | -173.6 | -82.7 | -9 | 111 | A221 W225 V400 E402 | A221-R223 VanDerWaalsContact C-N 3.33Å; A221-R223 WeakPolarHBondContact CB-O 3.47Å; R223-W225 HydrophobicContact CB-CE3 4.25Å; R223-W225 HydrophobicContact CB-CH2 3.84Å; R223-W225 HydrophobicContact CB-CZ3 3.47Å; R223-W225 VanDerWaalsContact CB-CZ3 3.47Å; R223-W225 HydrophobicContact CG-CH2 4.37Å; R223-W225 HydrophobicContact CG-CZ3 4.45Å; R223-V400 PolarHBondContact N-O 3.01Å; R223-V400 PolarHBondContact O-N 2.95Å; R223-E402 WeakPolarHBondContact CD-OE1 3.24Å; R223-E402 IonicContact CZ-OE1 2.66Å; R223-E402 IonicContact NE-OE1 2.76Å; R223-E402 PolarHBondContact NE-OE1 3.12Å; R223-E402 IonicContact NH2-OE1 3.91Å |
| 224 | S | 98.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 142.2 | 169.5 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | E212 A216 I398 H399 | E212-S224 WeakPolarHBondContact CB-O 3.4Å; A216-S224 WeakPolarHBondContact CA-OG 3.26Å; A216-S224 PolarHBondContact N-OG 3.03Å; S224-I398 CarbonylContact C-O 3.55Å; S224-I398 WeakPolarHBondContact CA-O 3.48Å; S224-H399 PolarHBondContact OG-ND1 3.38Å |
| 225 | W | 98.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 21.7 Ų | 21.7 | 3% | 0.034 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.5 | 170.8 | -76.6 | -103.8 | 0 | 0 | 0 | 109.3 | H204 R223 Y397 I398 V400 F409 F412 Y416 | H204-W225 AromaticContact CE1-CD1 3.25Å; H204-W225 AromaticContact CE1-NE1 3.45Å; H204-W225 PolarHBondContact CE1-NE1 2.81Å; H204-W225 AromaticContact NE2-CD1 3.77Å; H204-W225 AromaticContact NE2-NE1 3.58Å; R223-W225 HydrophobicContact CB-CE3 4.25Å; R223-W225 HydrophobicContact CB-CH2 3.84Å; R223-W225 HydrophobicContact CB-CZ3 3.47Å; R223-W225 VanDerWaalsContact CB-CZ3 3.47Å; R223-W225 HydrophobicContact CG-CH2 4.37Å; R223-W225 HydrophobicContact CG-CZ3 4.45Å; W225-Y397 WeakPolarHBondContact O-CA 3.37Å; W225-Y397 VanDerWaalsContact O-CD1 3.3Å; W225-Y397 WeakPolarHBondContact O-CD1 3.35Å; W225-I398 HydrophobicContact CB-CB 4.27Å; W225-I398 HydrophobicContact CB-CD1 4.47Å; W225-I398 PolarHBondContact N-O 2.96Å; W225-I398 PolarHBondContact O-N 2.86Å; W225-V400 HydrophobicContact CE3-CG2 4.07Å; W225-V400 HydrophobicContact CH2-CG2 4.5Å; W225-V400 HydrophobicContact CZ3-CB 4.17Å; W225-V400 HydrophobicContact CZ3-CG2 3.51Å; W225-F409 HydrophobicContact CH2-CD2 4.45Å; W225-F409 AromaticContact CZ2-CD2 3.71Å; W225-F409 HydrophobicContact CZ2-CD2 3.71Å; W225-F409 AromaticContact CZ2-CE2 3.86Å; W225-F409 HydrophobicContact CZ2-CE2 3.86Å; W225-F412 AromaticContact CD2-CD1 3.97Å; W225-F412 HydrophobicContact CD2-CD1 3.97Å; W225-F412 AromaticContact CD2-CE1 3.75Å; W225-F412 HydrophobicContact CD2-CE1 3.75Å; W225-F412 AromaticContact CE2-CD1 3.57Å; W225-F412 AromaticContact CE2-CE1 3.87Å; W225-F412 HydrophobicContact CE3-CD1 4.28Å; W225-F412 AromaticContact CE3-CE1 3.92Å; W225-F412 HydrophobicContact CE3-CE1 3.92Å; W225-F412 HydrophobicContact CG-CE1 4.22Å; W225-F412 AromaticContact CH2-CD1 3.85Å; W225-F412 HydrophobicContact CH2-CD1 3.85Å; W225-F412 HydrophobicContact CH2-CE1 4.28Å; W225-F412 HydrophobicContact CH2-CG 4.25Å; W225-F412 HydrophobicContact CZ2-CB 4.37Å; W225-F412 AromaticContact CZ2-CD1 3.52Å; W225-F412 HydrophobicContact CZ2-CD1 3.52Å; W225-F412 HydrophobicContact CZ2-CE1 4.14Å; W225-F412 HydrophobicContact CZ2-CG 4.16Å; W225-F412 HydrophobicContact CZ3-CD1 4.23Å; W225-F412 HydrophobicContact CZ3-CE1 4.19Å; W225-Y416 HydrophobicContact CB-CD2 4.27Å; W225-Y416 HydrophobicContact CB-CE2 4.16Å; W225-Y416 AromaticContact CD1-CD2 3.76Å; W225-Y416 AromaticContact CD1-CG 3.9Å; W225-Y416 HydrophobicContact CG-CD2 4.3Å |
| 226 | S | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 128.5 | 170.9 | -172 | 0 | 0 | 0 | 0 | 109.4 | E212 Y416 N432 | E212-S226 PolarHBondContact OE1-N 3.01Å; S226-Y416 WeakPolarHBondContact O-CE2 3.41Å; S226-Y416 PolarHBondContact O-OH 3.27Å; S226-N432 PolarHBondContact OG-ND2 2.91Å |
| 227 | V | 98.2 | Very high | 97.8 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.024 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.1 | -177.5 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | V229 S234 S396 I398 Y416 | V227-V229 HydrophobicContact CG1-CG2 3.61Å; V227-S234 WeakPolarHBondContact CG2-OG 3.3Å; V227-S396 PolarHBondContact N-O 3.44Å; V227-S396 PolarHBondContact O-N 3.07Å; V227-I398 HydrophobicContact CG2-CD1 3.94Å; V227-I398 HydrophobicContact CG2-CG1 4.03Å; V227-Y416 HydrophobicContact CG2-CD2 4.43Å; V227-Y416 HydrophobicContact CG2-CE2 3.96Å |
| 228 | V | 96.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 18 Ų | 18 | 6% | 0.055 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -112.2 | 16.3 | -176.9 | -60 | 0 | 0 | 0 | 0 | 114.3 | L201 Q394 T421 P424 I428 C429 | L201-V228 HydrophobicContact CD2-CG1 4.45Å; L201-V228 HydrophobicContact CD2-CG2 4.41Å; V228-Q394 CarbonylContact C-O 3.11Å; V228-T421 HydrophobicContact CG2-CG2 4.07Å; V228-P424 HydrophobicContact CG2-CB 3.85Å; V228-I428 HydrophobicContact CB-CB 4.46Å; V228-I428 HydrophobicContact CB-CG2 4.05Å; V228-I428 HydrophobicContact CG1-CB 4.12Å; V228-I428 HydrophobicContact CG1-CG2 3.83Å; V228-C429 WeakPolarHBondContact CG1-SG 3.29Å |
| 229 | V | 96.9 | Very high | 97.9 | Very high | 47 Ų | 47 | 17.4 Ų | 17.4 | 29% | 0.285 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -122.7 | 25.9 | -179.6 | -70.1 | 0 | 0 | 0 | 0 | 111.6 | V227 G233 Q394 | V227-V229 HydrophobicContact CG1-CG2 3.61Å; V229-G233 PolarHBondContact O-N 3.22Å; V229-Q394 PolarHBondContact N-O 2.84Å |
| 230 | G | 97.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 19.3 Ų | 19.3 | 9% | 0.093 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | 70 | 173 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | S232 G233 S234 Q394 | G230-S232 PolarHBondContact O-N 2.85Å; G230-G233 PolarHBondContact O-N 3.35Å; G230-S234 PolarHBondContact O-N 3.27Å; G230-Q394 VanDerWaalsContact CA-O 3.23Å; G230-Q394 WeakPolarHBondContact CA-O 3.36Å; G230-Q394 PolarHBondContact N-O 3.31Å |
| 231 | T | 98.1 | Very high | 97.9 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 4% | 0.043 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.6 | -21.3 | 176.2 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | G233 S234 N235 A350 H383 S384 S396 | T231-G233 VanDerWaalsContact C-N 3.27Å; T231-G233 PolarHBondContact O-N 2.97Å; T231-S234 WeakPolarHBondContact O-CB 3.13Å; T231-S234 PolarHBondContact O-N 2.88Å; T231-S234 VanDerWaalsContact O-N 3.12Å; T231-N235 WeakPolarHBondContact O-CB 3.42Å; T231-N235 PolarHBondContact O-N 3.49Å; T231-A350 HydrophobicContact CG2-CB 4.18Å; T231-H383 PolarHBondContact OG1-O 2.88Å; T231-S384 VanDerWaalsContact CB-OG 3.23Å; T231-S384 WeakPolarHBondContact CB-OG 3.33Å; T231-S384 WeakPolarHBondContact OG1-CA 3.3Å; T231-S384 WeakPolarHBondContact OG1-CB 3.32Å; T231-S384 PolarHBondContact OG1-N 2.94Å; T231-S384 PolarHBondContact OG1-OG 2.71Å; T231-S396 WeakPolarHBondContact CA-OG 3.47Å; T231-S396 PolarHBondContact N-OG 3.18Å; T231-S396 PolarHBondContact OG1-OG 3.09Å |
| 232 | S | 97.3 | Very high | 97.9 | Very high | 39 Ų | 39 | 19.2 Ų | 19.2 | 27% | 0.273 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -57.8 | -39.3 | 167.5 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | G230 R236 | G230-S232 PolarHBondContact O-N 2.85Å; S232-R236 VanDerWaalsContact O-CG 3.29Å; S232-R236 WeakPolarHBondContact O-CG 3.42Å; S232-R236 PolarHBondContact O-N 3.42Å; S232-R236 PolarHBondContact O-NE 3.12Å |
| 233 | G | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69 | -44.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V229 G230 T231 N235 R236 T237 | V229-G233 PolarHBondContact O-N 3.22Å; G230-G233 PolarHBondContact O-N 3.35Å; T231-G233 VanDerWaalsContact C-N 3.27Å; T231-G233 PolarHBondContact O-N 2.97Å; G233-N235 PolarHBondContact O-N 2.72Å; G233-R236 PolarHBondContact O-N 2.93Å; G233-T237 WeakPolarHBondContact O-CB 3.18Å; G233-T237 PolarHBondContact O-N 3.12Å; G233-T237 PolarHBondContact O-OG1 3.09Å; G233-T237 VanDerWaalsContact O-OG1 3.07Å |
| 234 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.7 | -48.1 | 178.1 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | V227 G230 T231 T237 I238 S396 | V227-S234 WeakPolarHBondContact CG2-OG 3.3Å; G230-S234 PolarHBondContact O-N 3.27Å; T231-S234 WeakPolarHBondContact O-CB 3.13Å; T231-S234 PolarHBondContact O-N 2.88Å; T231-S234 VanDerWaalsContact O-N 3.12Å; S234-T237 WeakPolarHBondContact O-CB 3.37Å; S234-T237 PolarHBondContact O-N 3.15Å; S234-I238 WeakPolarHBondContact O-CG1 3.27Å; S234-I238 PolarHBondContact O-N 2.76Å; S234-I238 VanDerWaalsContact O-N 3.08Å; S234-S396 PolarHBondContact OG-OG 2.8Å |
| 235 | N | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.6 | -48.8 | 178.5 | -75.5 | -12.5 | 0 | 0 | 0 | 111.2 | T231 G233 T237 I238 M239 S258 I259 H346 D348 T382 | T231-N235 WeakPolarHBondContact O-CB 3.42Å; T231-N235 PolarHBondContact O-N 3.49Å; G233-N235 PolarHBondContact O-N 2.72Å; N235-T237 PolarHBondContact O-N 3.31Å; N235-I238 PolarHBondContact O-N 3.24Å; N235-M239 VanDerWaalsContact O-CG 3.28Å; N235-M239 WeakPolarHBondContact O-CG 3.45Å; N235-M239 PolarHBondContact O-N 3.44Å; N235-S258 PolarHBondContact ND2-OG 2.94Å; N235-I259 HydrophobicContact CB-CD1 3.91Å; N235-H346 PolarHBondContact OD1-CE1 2.98Å; N235-H346 PolarHBondContact OD1-NE2 2.94Å; N235-D348 PolarHBondContact ND2-OD2 2.68Å; N235-T382 WeakPolarHBondContact OD1-CG2 3.33Å; N235-T382 PolarHBondContact OD1-OG1 3.38Å; N235-T382 VanDerWaalsContact OD1-OG1 3.08Å |
| 236 | R | 98.1 | Very high | 97.1 | Very high | 61 Ų | 61 | 22.3 Ų | 22.3 | 23% | 0.23 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 179 | -65.8 | 178.5 | -62.8 | 168.7 | 2.4 | 112.5 | S232 G233 M239 Q240 Q261 L265 H419 | S232-R236 VanDerWaalsContact O-CG 3.29Å; S232-R236 WeakPolarHBondContact O-CG 3.42Å; S232-R236 PolarHBondContact O-N 3.42Å; S232-R236 PolarHBondContact O-NE 3.12Å; G233-R236 PolarHBondContact O-N 2.93Å; R236-M239 PolarHBondContact O-N 2.96Å; R236-Q240 WeakPolarHBondContact O-CB 3.47Å; R236-Q240 PolarHBondContact O-N 2.97Å; R236-Q261 HydrophobicContact CG-CB 4.37Å; R236-L265 HydrophobicContact CB-CD1 4.3Å; R236-L265 HydrophobicContact CG-CD1 4.16Å; R236-H419 WeakPolarHBondContact CB-NE2 3.42Å |
| 237 | T | 98.3 | Very high | 97 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.1 | -50.3 | 174 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | G233 S234 N235 M239 A241 I398 F412 A415 Y416 H419 | G233-T237 WeakPolarHBondContact O-CB 3.18Å; G233-T237 PolarHBondContact O-N 3.12Å; G233-T237 PolarHBondContact O-OG1 3.09Å; G233-T237 VanDerWaalsContact O-OG1 3.07Å; S234-T237 WeakPolarHBondContact O-CB 3.37Å; S234-T237 PolarHBondContact O-N 3.15Å; N235-T237 PolarHBondContact O-N 3.31Å; T237-M239 VanDerWaalsContact C-N 3.33Å; T237-M239 PolarHBondContact O-N 3.48Å; T237-A241 WeakPolarHBondContact O-CB 3.28Å; T237-A241 PolarHBondContact O-N 2.98Å; T237-I398 HydrophobicContact CG2-CD1 3.76Å; T237-F412 HydrophobicContact CG2-CE1 3.83Å; T237-F412 HydrophobicContact CG2-CZ 3.91Å; T237-A415 HydrophobicContact CG2-CB 4.39Å; T237-A415 WeakPolarHBondContact O-CB 3.36Å; T237-Y416 HydrophobicContact CG2-CD2 4.47Å; T237-H419 PolarHBondContact OG1-CD2 3.11Å |
| 238 | I | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61 | -46.6 | 178 | -66.5 | 162.1 | 0 | 0 | 0 | 109.9 | S234 N235 A241 C242 Y316 F380 T382 I398 F412 | S234-I238 WeakPolarHBondContact O-CG1 3.27Å; S234-I238 PolarHBondContact O-N 2.76Å; S234-I238 VanDerWaalsContact O-N 3.08Å; N235-I238 PolarHBondContact O-N 3.24Å; I238-A241 WeakPolarHBondContact O-CB 3.2Å; I238-A241 PolarHBondContact O-N 2.74Å; I238-C242 WeakPolarHBondContact O-CB 3.19Å; I238-C242 PolarHBondContact O-N 3.26Å; I238-C242 PolarHBondContact O-SG 3.46Å; I238-Y316 HydrophobicContact CG2-CE2 3.89Å; I238-F380 HydrophobicContact CD1-CB 3.91Å; I238-F380 HydrophobicContact CD1-CD1 4.31Å; I238-F380 HydrophobicContact CD1-CG 4.34Å; I238-F380 HydrophobicContact CG1-CB 4.5Å; I238-F380 HydrophobicContact CG1-CD1 4.04Å; I238-F380 HydrophobicContact CG1-CG 4.4Å; I238-F380 HydrophobicContact CG2-CB 4.27Å; I238-F380 HydrophobicContact CG2-CD1 3.99Å; I238-F380 HydrophobicContact CG2-CD2 4.01Å; I238-F380 HydrophobicContact CG2-CE1 4.4Å; I238-F380 HydrophobicContact CG2-CE2 4.39Å; I238-F380 HydrophobicContact CG2-CG 3.82Å; I238-T382 HydrophobicContact CD1-CG2 3.26Å; I238-I398 HydrophobicContact CD1-CG1 4.39Å; I238-I398 HydrophobicContact CD1-CG2 3.82Å; I238-I398 HydrophobicContact CG1-CD1 4.34Å; I238-I398 HydrophobicContact CG1-CG2 3.91Å; I238-F412 HydrophobicContact CG1-CE2 4.26Å; I238-F412 HydrophobicContact CG1-CZ 4.06Å |
| 239 | M | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -50.3 | -177.3 | -68.9 | 179.8 | 75.1 | 0 | 0 | 111.4 | N235 R236 T237 A241 C242 M243 I259 L263 T266 Y316 | N235-M239 VanDerWaalsContact O-CG 3.28Å; N235-M239 WeakPolarHBondContact O-CG 3.45Å; N235-M239 PolarHBondContact O-N 3.44Å; R236-M239 PolarHBondContact O-N 2.96Å; T237-M239 VanDerWaalsContact C-N 3.33Å; T237-M239 PolarHBondContact O-N 3.48Å; M239-A241 PolarHBondContact O-N 3.34Å; M239-C242 PolarHBondContact O-N 3.3Å; M239-M243 HydrophobicContact CB-CE 3.82Å; M239-M243 HydrophobicContact CB-SD 4.15Å; M239-M243 HydrophobicContact CE-CE 4.04Å; M239-M243 HydrophobicContact CE-SD 3.85Å; M239-M243 HydrophobicContact CG-CE 3.85Å; M239-M243 VanDerWaalsContact O-CG 3.32Å; M239-M243 WeakPolarHBondContact O-CG 3.48Å; M239-M243 PolarHBondContact O-N 3.2Å; M239-I259 HydrophobicContact CE-CG2 4.15Å; M239-I259 WeakPolarHBondContact CE-O 3.45Å; M239-I259 HydrophobicContact SD-CB 4.46Å; M239-I259 HydrophobicContact SD-CD1 3.93Å; M239-I259 HydrophobicContact SD-CG2 4.11Å; M239-L263 HydrophobicContact CE-CD2 3.88Å; M239-L263 HydrophobicContact CE-CG 3.99Å; M239-T266 HydrophobicContact CB-CG2 4.33Å; M239-Y316 HydrophobicContact CG-CE1 4.29Å |
| 240 | Q | 97.4 | Very high | 97.1 | Very high | 42 Ų | 42 | 21 Ų | 21 | 20% | 0.196 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.4 | -30.2 | 175.7 | -73.7 | -170.3 | -10.8 | 0 | 0 | 113.3 | R236 T266 A415 H419 | R236-Q240 WeakPolarHBondContact O-CB 3.47Å; R236-Q240 PolarHBondContact O-N 2.97Å; Q240-T266 HydrophobicContact CB-CG2 4.46Å; Q240-T266 HydrophobicContact CG-CG2 3.93Å; Q240-A415 HydrophobicContact CB-CB 4.01Å; Q240-H419 VanDerWaalsContact CD-NE2 3.28Å; Q240-H419 PolarHBondContact OE1-NE2 3.43Å; Q240-H419 VanDerWaalsContact OE1-NE2 3.12Å |
| 241 | A | 97.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.8 | -35.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T237 I238 M239 I407 R411 F412 A415 | T237-A241 WeakPolarHBondContact O-CB 3.28Å; T237-A241 PolarHBondContact O-N 2.98Å; I238-A241 WeakPolarHBondContact O-CB 3.2Å; I238-A241 PolarHBondContact O-N 2.74Å; M239-A241 PolarHBondContact O-N 3.34Å; A241-I407 HydrophobicContact CB-CD1 4.07Å; A241-R411 VanDerWaalsContact O-CZ 3.24Å; A241-R411 PolarHBondContact O-NE 2.92Å; A241-R411 PolarHBondContact O-NH2 2.92Å; A241-F412 HydrophobicContact CB-CD2 3.53Å; A241-F412 HydrophobicContact CB-CE2 3.87Å; A241-F412 HydrophobicContact CB-CG 4.26Å; A241-A415 HydrophobicContact CB-CB 3.94Å |
| 242 | C | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -89.3 | -32.6 | -170.1 | -68.5 | 0 | 0 | 0 | 0 | 114.9 | I238 M239 Y316 R344 I407 | I238-C242 WeakPolarHBondContact O-CB 3.19Å; I238-C242 PolarHBondContact O-N 3.26Å; I238-C242 PolarHBondContact O-SG 3.46Å; M239-C242 PolarHBondContact O-N 3.3Å; C242-Y316 HydrophobicContact CB-CD2 3.92Å; C242-Y316 HydrophobicContact CB-CG 4.47Å; C242-R344 PolarHBondContact O-NH1 3.33Å; C242-I407 HydrophobicContact CB-CD1 4.36Å; C242-I407 WeakPolarHBondContact SG-CD1 3.45Å |
| 243 | M | 95.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.034 | 10% | 0.098 | C | C | . | . | trans | -138 | 160.3 | -168.2 | 76.2 | -159.6 | 58 | 0 | 0 | 112.6 | M239 D247 V249 T266 A268 Y316 | M239-M243 HydrophobicContact CB-CE 3.82Å; M239-M243 HydrophobicContact CB-SD 4.15Å; M239-M243 HydrophobicContact CE-CE 4.04Å; M239-M243 HydrophobicContact CE-SD 3.85Å; M239-M243 HydrophobicContact CG-CE 3.85Å; M239-M243 VanDerWaalsContact O-CG 3.32Å; M239-M243 WeakPolarHBondContact O-CG 3.48Å; M239-M243 PolarHBondContact O-N 3.2Å; M243-D247 VanDerWaalsContact CA-OD2 3.3Å; M243-D247 WeakPolarHBondContact CA-OD2 3.32Å; M243-D247 HydrophobicContact CB-CB 4.23Å; M243-V249 HydrophobicContact CB-CG1 4.18Å; M243-V249 HydrophobicContact CE-CG1 3.99Å; M243-V249 HydrophobicContact SD-CG1 3.83Å; M243-T266 HydrophobicContact CG-CG2 3.68Å; M243-T266 HydrophobicContact SD-CG2 4.16Å; M243-T266 PolarHBondContact SD-OG1 2.9Å; M243-A268 HydrophobicContact CB-CB 4.41Å; M243-A268 HydrophobicContact CG-CB 3.89Å; M243-A268 HydrophobicContact SD-CB 3.53Å; M243-A268 VanDerWaalsContact SD-CB 3.53Å; M243-Y316 HydrophobicContact CE-CD1 3.28Å; M243-Y316 HydrophobicContact CE-CD2 4Å; M243-Y316 HydrophobicContact CE-CE1 3.67Å; M243-Y316 HydrophobicContact CE-CE2 4.36Å; M243-Y316 HydrophobicContact CE-CG 3.42Å; M243-Y316 VanDerWaalsContact CE-CG 3.42Å | ||
| 244 | T | 95 | Very high | 96.9 | Very high | 88 Ų | 88 | 19 Ų | 19 | 54% | 0.54 | 10% | 0.098 | S | C | . | . | trans | -133.5 | -178.5 | 175.4 | -168.3 | 0 | 0 | 0 | 0 | 111.1 | N246 D247 T266 | T244-N246 PolarHBondContact O-N 3.13Å; T244-D247 PolarHBondContact N-OD2 2.67Å; T244-D247 WeakPolarHBondContact O-CB 3.15Å; T244-D247 PolarHBondContact O-N 3.38Å; T244-D247 VanDerWaalsContact O-N 3.11Å; T244-T266 CarbonylContact C-O 3.25Å; T244-T266 VanDerWaalsContact C-O 3.25Å | ||
| 245 | D | 93.8 | Very high | 96.7 | Very high | 77 Ų | 77 | 19.2 Ų | 19.2 | 41% | 0.412 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 136.6 | 176.5 | -171.5 | 51.5 | 0 | 0 | 0 | 110.2 | D247 T266 R667 | D245-D247 PolarHBondContact O-N 3.25Å; D245-T266 VanDerWaalsContact CA-O 3.22Å; D245-T266 WeakPolarHBondContact CA-O 3.41Å; D245-T266 PolarHBondContact N-O 3.41Å; D245-R667 VanDerWaalsContact CG-NH1 3.33Å; D245-R667 IonicContact OD1-CZ 3.53Å; D245-R667 IonicContact OD1-NH1 3.87Å; D245-R667 PolarHBondContact OD1-NH1 3.21Å |
| 246 | N | 90.5 | Very high | 96.5 | Very high | 72 Ų | 72 | 21.6 Ų | 21.6 | 39% | 0.385 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 4.2 | -179.6 | -74 | -67.8 | 0 | 0 | 0 | 116.9 | T244 G267 K269 K309 | T244-N246 PolarHBondContact O-N 3.13Å; N246-G267 PolarHBondContact N-O 3.2Å; N246-K269 WeakPolarHBondContact OD1-CE 3.46Å; N246-K309 VanDerWaalsContact C-NZ 3.34Å; N246-K309 VanDerWaalsContact CA-NZ 3.28Å; N246-K309 PolarHBondContact O-NZ 3.08Å; N246-K309 PolarHBondContact OD1-NZ 2.99Å |
| 247 | D | 97 | Very high | 96.3 | Very high | 35 Ų | 35 | 21.3 Ų | 21.3 | 19% | 0.187 | 11% | 0.111 | C | C | . | . | trans | -66.9 | 146.1 | 167.5 | -78.4 | -22.1 | 0 | 0 | 0 | 111.3 | M243 T244 D245 A268 K269 S315 | M243-D247 VanDerWaalsContact CA-OD2 3.3Å; M243-D247 WeakPolarHBondContact CA-OD2 3.32Å; M243-D247 HydrophobicContact CB-CB 4.23Å; T244-D247 PolarHBondContact N-OD2 2.67Å; T244-D247 WeakPolarHBondContact O-CB 3.15Å; T244-D247 PolarHBondContact O-N 3.38Å; T244-D247 VanDerWaalsContact O-N 3.11Å; D245-D247 PolarHBondContact O-N 3.25Å; D247-A268 CarbonylContact O-C 3.14Å; D247-A268 WeakPolarHBondContact O-CA 3.4Å; D247-K269 PolarHBondContact O-N 3.3Å; D247-S315 WeakPolarHBondContact CB-OG 3.31Å; D247-S315 PolarHBondContact OD2-OG 3.11Å | ||
| 248 | V | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 130 | 168.4 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | K269 V271 I300 T306 K309 P314 S315 | V248-K269 WeakPolarHBondContact CA-O 3.22Å; V248-V271 HydrophobicContact CG1-CG2 4.13Å; V248-I300 HydrophobicContact CG1-CD1 3.94Å; V248-I300 HydrophobicContact CG1-CG1 3.87Å; V248-I300 HydrophobicContact CG1-CG2 4.49Å; V248-T306 HydrophobicContact CG1-CG2 4.27Å; V248-T306 HydrophobicContact CG2-CG2 4.15Å; V248-K309 HydrophobicContact CG2-CB 3.62Å; V248-K309 HydrophobicContact CG2-CD 3.54Å; V248-K309 HydrophobicContact CG2-CG 4.19Å; V248-P314 HydrophobicContact CG1-CG 4.39Å; V248-P314 CarbonylContact O-C 3.6Å; V248-P314 VanDerWaalsContact O-CA 3.24Å; V248-P314 WeakPolarHBondContact O-CA 3.45Å; V248-S315 PolarHBondContact O-N 3.48Å |
| 249 | V | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147 | -178.8 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | M243 V251 L263 A268 K269 P270 V271 Y316 | M243-V249 HydrophobicContact CB-CG1 4.18Å; M243-V249 HydrophobicContact CE-CG1 3.99Å; M243-V249 HydrophobicContact SD-CG1 3.83Å; V249-V251 HydrophobicContact CG2-CG2 4.09Å; V249-L263 HydrophobicContact CG2-CD2 3.74Å; V249-A268 HydrophobicContact CB-CB 4.49Å; V249-A268 HydrophobicContact CG1-CB 3.84Å; V249-A268 HydrophobicContact CG2-CB 3.8Å; V249-K269 PolarHBondContact N-O 3.35Å; V249-K269 VanDerWaalsContact N-O 3.09Å; V249-P270 HydrophobicContact CG2-CB 4.37Å; V249-P270 CarbonylContact O-C 3.54Å; V249-P270 WeakPolarHBondContact O-CA 3.45Å; V249-V271 PolarHBondContact O-N 2.85Å; V249-Y316 HydrophobicContact CB-CD1 4.3Å; V249-Y316 HydrophobicContact CG1-CD1 4.41Å |
| 250 | V | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125.5 | 178.5 | -177.6 | 0 | 0 | 0 | 0 | 109 | V271 M273 L296 P314 Y316 C317 V318 T341 | V250-V271 WeakPolarHBondContact CA-O 3.39Å; V250-M273 HydrophobicContact CG1-CE 3.83Å; V250-M273 HydrophobicContact CG1-CG 3.76Å; V250-M273 HydrophobicContact CG1-SD 3.76Å; V250-L296 HydrophobicContact CG1-CD1 4.31Å; V250-L296 HydrophobicContact CG1-CD2 3.66Å; V250-L296 HydrophobicContact CG2-CD1 4.37Å; V250-L296 HydrophobicContact CG2-CD2 4.29Å; V250-P314 HydrophobicContact CG2-CB 3.83Å; V250-P314 HydrophobicContact CG2-CG 3.83Å; V250-Y316 PolarHBondContact N-O 3.24Å; V250-C317 HydrophobicContact CB-CB 4.27Å; V250-C317 CarbonylContact O-C 3.56Å; V250-C317 VanDerWaalsContact O-CA 3.28Å; V250-C317 WeakPolarHBondContact O-CA 3.46Å; V250-V318 PolarHBondContact O-N 2.89Å; V250-T341 HydrophobicContact CG2-CG2 4.33Å |
| 251 | V | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.8 | -171.7 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | V249 R253 C255 I259 L263 P270 V271 Y272 M273 V318 | V249-V251 HydrophobicContact CG2-CG2 4.09Å; V251-R253 PolarHBondContact O-N 3.2Å; V251-C255 HydrophobicContact CG1-CB 4.23Å; V251-I259 HydrophobicContact CG1-CG2 3.74Å; V251-L263 HydrophobicContact CG2-CD2 4.5Å; V251-P270 HydrophobicContact CG2-CB 4.29Å; V251-V271 PolarHBondContact N-O 2.81Å; V251-Y272 HydrophobicContact CB-CD1 3.95Å; V251-Y272 HydrophobicContact CB-CE1 4.07Å; V251-Y272 HydrophobicContact CG1-CD1 4.14Å; V251-Y272 HydrophobicContact CG1-CE1 4.08Å; V251-Y272 CarbonylContact O-C 3.56Å; V251-Y272 VanDerWaalsContact O-CA 3.22Å; V251-Y272 WeakPolarHBondContact O-CA 3.31Å; V251-M273 PolarHBondContact O-N 2.92Å; V251-V318 HydrophobicContact CB-CG1 4.15Å; V251-V318 HydrophobicContact CG1-CG1 3.94Å; V251-V318 HydrophobicContact CG2-CG1 4.05Å |
| 252 | D | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 123.9 | 165.2 | -178.7 | -3.6 | 0 | 0 | 0 | 110.3 | N254 C255 M273 I286 V318 T320 | D252-N254 PolarHBondContact O-N 3.08Å; D252-N254 WeakPolarHBondContact OD1-CA 3.46Å; D252-N254 WeakPolarHBondContact OD1-CB 3.49Å; D252-N254 PolarHBondContact OD1-N 2.83Å; D252-C255 WeakPolarHBondContact O-CB 3.18Å; D252-C255 PolarHBondContact O-N 3.31Å; D252-C255 PolarHBondContact O-SG 2.72Å; D252-C255 VanDerWaalsContact O-SG 3.34Å; D252-M273 HydrophobicContact CB-CE 4.3Å; D252-I286 HydrophobicContact CB-CD1 3.84Å; D252-I286 VanDerWaalsContact CG-CD1 3.41Å; D252-I286 WeakPolarHBondContact OD1-CD1 3.41Å; D252-V318 WeakPolarHBondContact CB-O 3.42Å; D252-V318 PolarHBondContact N-O 3.26Å; D252-T320 PolarHBondContact OD2-N 3.38Å; D252-T320 VanDerWaalsContact OD2-N 3.07Å |
| 253 | R | 96.5 | Very high | 96.1 | Very high | 12 Ų | 12 | 22.5 Ų | 22.5 | 5% | 0.045 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.7 | 178.1 | -172 | 57.2 | -179.1 | -162.5 | 3.2 | 112.3 | V251 C255 M273 L659 M704 E709 | V251-R253 PolarHBondContact O-N 3.2Å; R253-C255 PolarHBondContact O-N 3.31Å; R253-M273 WeakPolarHBondContact CB-O 3.43Å; R253-M273 PolarHBondContact N-O 2.89Å; R253-L659 HydrophobicContact CG-CD2 3.89Å; R253-M704 PolarHBondContact NH2-O 2.92Å; R253-E709 IonicContact CZ-OE1 3.02Å; R253-E709 IonicContact CZ-OE2 3.96Å; R253-E709 IonicContact NH1-OE1 3.56Å; R253-E709 PolarHBondContact NH1-OE1 2.86Å; R253-E709 IonicContact NH1-OE2 2.61Å; R253-E709 VanDerWaalsContact NH2-CD 3.33Å; R253-E709 IonicContact NH2-OE1 2.84Å; R253-E709 PolarHBondContact NH2-OE1 2.61Å; R253-E709 IonicContact NH2-OE2 3.12Å; R253-E709 PolarHBondContact NH2-OE2 3.25Å |
| 254 | N | 93.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 11.8 | 172.5 | -158.3 | 46.6 | 0 | 0 | 0 | 114.3 | D252 P275 I283 I702 | D252-N254 PolarHBondContact O-N 3.08Å; D252-N254 WeakPolarHBondContact OD1-CA 3.46Å; D252-N254 WeakPolarHBondContact OD1-CB 3.49Å; D252-N254 PolarHBondContact OD1-N 2.83Å; N254-P275 HydrophobicContact CB-CB 4.41Å; N254-P275 HydrophobicContact CB-CG 4Å; N254-I283 WeakPolarHBondContact ND2-CG2 3.49Å; N254-I283 WeakPolarHBondContact OD1-CG2 3.43Å; N254-I702 WeakPolarHBondContact OD1-CD1 3.28Å |
| 255 | C | 93.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.02 | 12% | 0.117 | C | C | . | . | trans | -67.6 | 145.3 | -175.4 | 64.5 | 0 | 0 | 0 | 0 | 112.7 | V251 D252 R253 I259 P703 | V251-C255 HydrophobicContact CG1-CB 4.23Å; D252-C255 WeakPolarHBondContact O-CB 3.18Å; D252-C255 PolarHBondContact O-N 3.31Å; D252-C255 PolarHBondContact O-SG 2.72Å; D252-C255 VanDerWaalsContact O-SG 3.34Å; R253-C255 PolarHBondContact O-N 3.31Å; C255-I259 HydrophobicContact CB-CB 3.75Å; C255-I259 HydrophobicContact CB-CG1 3.77Å; C255-I259 HydrophobicContact CB-CG2 4.01Å; C255-P703 WeakPolarHBondContact O-CD 3.39Å | ||
| 256 | H | 94.5 | Very high | 96.4 | Very high | 51 Ų | 51 | 20 Ų | 20 | 24% | 0.236 | 10% | 0.099 | C | C | . | . | trans | -63.8 | 149 | 168.9 | 179.2 | -108 | 0 | 0 | 0 | 111.1 | S258 I259 | H256-S258 PolarHBondContact ND1-N 3.27Å; H256-S258 PolarHBondContact ND1-OG 3.23Å; H256-S258 PolarHBondContact O-N 3.38Å; H256-I259 PolarHBondContact O-N 2.95Å | ||
| 257 | K | 93.9 | Very high | 96.7 | Very high | 55 Ų | 55 | 16.8 Ų | 16.8 | 24% | 0.239 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -48.8 | -23.1 | -179.7 | 69 | -172.8 | 179.3 | -169 | 0 | 115.8 | I259 E260 Q261 I696 G701 E740 | K257-I259 VanDerWaalsContact C-N 3.27Å; K257-I259 PolarHBondContact O-N 2.93Å; K257-E260 WeakPolarHBondContact O-CB 3.49Å; K257-E260 PolarHBondContact O-N 2.92Å; K257-Q261 WeakPolarHBondContact O-CG 3.36Å; K257-Q261 PolarHBondContact O-N 2.76Å; K257-I696 HydrophobicContact CB-CD1 3.88Å; K257-I696 HydrophobicContact CD-CD1 4.01Å; K257-G701 PolarHBondContact N-O 3.28Å; K257-E740 IonicContact NZ-OE1 3.06Å; K257-E740 PolarHBondContact NZ-OE1 3.16Å; K257-E740 IonicContact NZ-OE2 2.69Å; K257-E740 PolarHBondContact NZ-OE2 3.16Å |
| 258 | S | 96.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.007 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63 | -27.2 | 173.2 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | N235 H256 G262 | N235-S258 PolarHBondContact ND2-OG 2.94Å; H256-S258 PolarHBondContact ND1-N 3.27Å; H256-S258 PolarHBondContact ND1-OG 3.23Å; H256-S258 PolarHBondContact O-N 3.38Å; S258-G262 PolarHBondContact O-N 3.28Å; S258-G262 VanDerWaalsContact O-N 3.08Å |
| 259 | I | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -72.5 | -42 | 176.5 | -62.4 | -62.3 | 0 | 0 | 0 | 109.9 | N235 M239 V251 C255 H256 K257 Q261 G262 L263 V318 | N235-I259 HydrophobicContact CB-CD1 3.91Å; M239-I259 HydrophobicContact CE-CG2 4.15Å; M239-I259 WeakPolarHBondContact CE-O 3.45Å; M239-I259 HydrophobicContact SD-CB 4.46Å; M239-I259 HydrophobicContact SD-CD1 3.93Å; M239-I259 HydrophobicContact SD-CG2 4.11Å; V251-I259 HydrophobicContact CG1-CG2 3.74Å; C255-I259 HydrophobicContact CB-CB 3.75Å; C255-I259 HydrophobicContact CB-CG1 3.77Å; C255-I259 HydrophobicContact CB-CG2 4.01Å; H256-I259 PolarHBondContact O-N 2.95Å; K257-I259 VanDerWaalsContact C-N 3.27Å; K257-I259 PolarHBondContact O-N 2.93Å; I259-Q261 VanDerWaalsContact C-N 3.34Å; I259-Q261 PolarHBondContact O-N 2.74Å; I259-G262 WeakPolarHBondContact O-CA 3.49Å; I259-G262 PolarHBondContact O-N 2.88Å; I259-L263 PolarHBondContact O-N 3.11Å; I259-V318 HydrophobicContact CD1-CG2 4.09Å; I259-V318 HydrophobicContact CG2-CG1 4.15Å |
| 260 | E | 96.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 16.8 Ų | 16.8 | 4% | 0.042 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 170.7 | -177.3 | -162.2 | -149.7 | 0 | 0 | 111.5 | K257 G262 L263 M264 P666 S694 L706 S707 | K257-E260 WeakPolarHBondContact O-CB 3.49Å; K257-E260 PolarHBondContact O-N 2.92Å; E260-G262 PolarHBondContact O-N 3.45Å; E260-L263 CarbonylContact O-C 3.58Å; E260-L263 WeakPolarHBondContact O-CA 3.06Å; E260-L263 WeakPolarHBondContact O-CB 3.49Å; E260-L263 PolarHBondContact O-N 3.42Å; E260-M264 VanDerWaalsContact CD-CE 3.46Å; E260-M264 HydrophobicContact CG-CE 3.76Å; E260-M264 WeakPolarHBondContact O-CG 3.44Å; E260-M264 PolarHBondContact O-N 3.1Å; E260-P666 HydrophobicContact CG-CB 4.41Å; E260-S694 PolarHBondContact OE1-OG 2.93Å; E260-S694 WeakPolarHBondContact OE2-CB 3.22Å; E260-S694 PolarHBondContact OE2-OG 3.49Å; E260-L706 HydrophobicContact CB-CD2 3.86Å; E260-L706 HydrophobicContact CG-CD2 3.8Å; E260-S707 WeakPolarHBondContact OE1-CB 3.24Å; E260-S707 PolarHBondContact OE1-N 3.25Å; E260-S707 PolarHBondContact OE1-OG 3.49Å |
| 261 | Q | 96.8 | Very high | 96.5 | Very high | 61 Ų | 61 | 17 Ų | 17 | 29% | 0.285 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -57.4 | -36.7 | 174.2 | -67.1 | 171.2 | 3 | 0 | 0 | 111.9 | R236 K257 I259 M264 L265 | R236-Q261 HydrophobicContact CG-CB 4.37Å; K257-Q261 WeakPolarHBondContact O-CG 3.36Å; K257-Q261 PolarHBondContact O-N 2.76Å; I259-Q261 VanDerWaalsContact C-N 3.34Å; I259-Q261 PolarHBondContact O-N 2.74Å; Q261-M264 PolarHBondContact O-N 3.35Å; Q261-L265 WeakPolarHBondContact O-CB 3.26Å; Q261-L265 VanDerWaalsContact O-CG 3.24Å; Q261-L265 WeakPolarHBondContact O-CG 3.47Å; Q261-L265 PolarHBondContact O-N 2.9Å |
| 262 | G | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S258 I259 E260 M264 L265 T266 | S258-G262 PolarHBondContact O-N 3.28Å; S258-G262 VanDerWaalsContact O-N 3.08Å; I259-G262 WeakPolarHBondContact O-CA 3.49Å; I259-G262 PolarHBondContact O-N 2.88Å; E260-G262 PolarHBondContact O-N 3.45Å; G262-M264 PolarHBondContact O-N 2.78Å; G262-L265 PolarHBondContact O-N 3.04Å; G262-T266 WeakPolarHBondContact O-CG2 3.43Å; G262-T266 PolarHBondContact O-N 3.06Å; G262-T266 PolarHBondContact O-OG1 3.28Å |
| 263 | L | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 175.1 | -63 | 172.4 | 0 | 0 | 0 | 112.4 | M239 V249 V251 I259 E260 L265 G267 A268 P270 P666 | M239-L263 HydrophobicContact CE-CD2 3.88Å; M239-L263 HydrophobicContact CE-CG 3.99Å; V249-L263 HydrophobicContact CG2-CD2 3.74Å; V251-L263 HydrophobicContact CG2-CD2 4.5Å; I259-L263 PolarHBondContact O-N 3.11Å; E260-L263 CarbonylContact O-C 3.58Å; E260-L263 WeakPolarHBondContact O-CA 3.06Å; E260-L263 WeakPolarHBondContact O-CB 3.49Å; E260-L263 PolarHBondContact O-N 3.42Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-L265 PolarHBondContact O-N 3.33Å; L263-G267 WeakPolarHBondContact O-CA 3.37Å; L263-G267 PolarHBondContact O-N 2.87Å; L263-A268 HydrophobicContact CD2-CB 4.24Å; L263-P270 HydrophobicContact CD1-CB 3.87Å; L263-P270 HydrophobicContact CD1-CG 3.97Å; L263-P270 HydrophobicContact CD2-CB 4.17Å; L263-P666 HydrophobicContact CB-CB 4.23Å; L263-P666 HydrophobicContact CB-CG 4.06Å; L263-P666 HydrophobicContact CD1-CG 4.28Å |
| 264 | M | 97.4 | Very high | 96.4 | Very high | 35 Ų | 35 | 18.5 Ų | 18.5 | 17% | 0.172 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 173.8 | -65.4 | 167.7 | 177.8 | 0 | 0 | 110.8 | E260 Q261 G262 P666 R667 S707 | E260-M264 VanDerWaalsContact CD-CE 3.46Å; E260-M264 HydrophobicContact CG-CE 3.76Å; E260-M264 WeakPolarHBondContact O-CG 3.44Å; E260-M264 PolarHBondContact O-N 3.1Å; Q261-M264 PolarHBondContact O-N 3.35Å; G262-M264 PolarHBondContact O-N 2.78Å; M264-P666 HydrophobicContact CG-CB 3.79Å; M264-R667 WeakPolarHBondContact O-CB 3.21Å; M264-R667 PolarHBondContact O-NE 3.49Å; M264-S707 WeakPolarHBondContact CE-OG 3.49Å |
| 265 | L | 97.3 | Very high | 96.5 | Very high | 78 Ų | 78 | 19 Ų | 19 | 41% | 0.408 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -70.8 | -35.7 | -177.5 | -72.2 | 171.7 | 0 | 0 | 0 | 113.6 | R236 Q261 G262 L263 R667 | R236-L265 HydrophobicContact CB-CD1 4.3Å; R236-L265 HydrophobicContact CG-CD1 4.16Å; Q261-L265 WeakPolarHBondContact O-CB 3.26Å; Q261-L265 VanDerWaalsContact O-CG 3.24Å; Q261-L265 WeakPolarHBondContact O-CG 3.47Å; Q261-L265 PolarHBondContact O-N 2.9Å; G262-L265 PolarHBondContact O-N 3.04Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-L265 PolarHBondContact O-N 3.33Å; L265-R667 VanDerWaalsContact C-NH2 3.31Å; L265-R667 PolarHBondContact O-NH2 3.47Å |
| 266 | T | 97.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 4% | 0.043 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -95 | -25.9 | -177.1 | 64 | 0 | 0 | 0 | 0 | 113.8 | M239 Q240 M243 T244 D245 G262 A268 R667 | M239-T266 HydrophobicContact CB-CG2 4.33Å; Q240-T266 HydrophobicContact CB-CG2 4.46Å; Q240-T266 HydrophobicContact CG-CG2 3.93Å; M243-T266 HydrophobicContact CG-CG2 3.68Å; M243-T266 HydrophobicContact SD-CG2 4.16Å; M243-T266 PolarHBondContact SD-OG1 2.9Å; T244-T266 CarbonylContact C-O 3.25Å; T244-T266 VanDerWaalsContact C-O 3.25Å; D245-T266 VanDerWaalsContact CA-O 3.22Å; D245-T266 WeakPolarHBondContact CA-O 3.41Å; D245-T266 PolarHBondContact N-O 3.41Å; G262-T266 WeakPolarHBondContact O-CG2 3.43Å; G262-T266 PolarHBondContact O-N 3.06Å; G262-T266 PolarHBondContact O-OG1 3.28Å; T266-A268 PolarHBondContact O-N 3.41Å; T266-A268 PolarHBondContact OG1-N 3.43Å; T266-R667 VanDerWaalsContact CA-NH2 3.33Å; T266-R667 VanDerWaalsContact O-CZ 3.29Å; T266-R667 PolarHBondContact O-NH1 3.46Å; T266-R667 PolarHBondContact O-NH2 2.86Å |
| 267 | G | 96.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | trans | 68.3 | 17.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | N246 L263 R667 | N246-G267 PolarHBondContact N-O 3.2Å; L263-G267 WeakPolarHBondContact O-CA 3.37Å; L263-G267 PolarHBondContact O-N 2.87Å; G267-R667 VanDerWaalsContact CA-NE 3.28Å | ||
| 268 | A | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -61 | 147.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | M243 D247 V249 L263 T266 P270 | M243-A268 HydrophobicContact CB-CB 4.41Å; M243-A268 HydrophobicContact CG-CB 3.89Å; M243-A268 HydrophobicContact SD-CB 3.53Å; M243-A268 VanDerWaalsContact SD-CB 3.53Å; D247-A268 CarbonylContact O-C 3.14Å; D247-A268 WeakPolarHBondContact O-CA 3.4Å; V249-A268 HydrophobicContact CB-CB 4.49Å; V249-A268 HydrophobicContact CG1-CB 3.84Å; V249-A268 HydrophobicContact CG2-CB 3.8Å; L263-A268 HydrophobicContact CD2-CB 4.24Å; T266-A268 PolarHBondContact O-N 3.41Å; T266-A268 PolarHBondContact OG1-N 3.43Å; A268-P270 WeakPolarHBondContact O-CD 3.46Å | ||
| 269 | K | 97 | Very high | 96.5 | Very high | 33 Ų | 33 | 18.6 Ų | 18.6 | 14% | 0.143 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 110.6 | 179.9 | -58.8 | -159.1 | -180 | 176.9 | 0 | 108.8 | N246 D247 V248 V249 L305 T306 D308 T665 | N246-K269 WeakPolarHBondContact OD1-CE 3.46Å; D247-K269 PolarHBondContact O-N 3.3Å; V248-K269 WeakPolarHBondContact CA-O 3.22Å; V249-K269 PolarHBondContact N-O 3.35Å; V249-K269 VanDerWaalsContact N-O 3.09Å; K269-L305 HydrophobicContact CD-CB 4.38Å; K269-L305 WeakPolarHBondContact CD-O 3.36Å; K269-L305 WeakPolarHBondContact CE-O 3.46Å; K269-L305 PolarHBondContact NZ-O 3.5Å; K269-T306 HydrophobicContact CB-CG2 3.56Å; K269-T306 HydrophobicContact CD-CG2 4.45Å; K269-D308 IonicContact NZ-OD1 3.68Å; K269-D308 IonicContact NZ-OD2 3.82Å; K269-T665 HydrophobicContact CG-CG2 4.25Å |
| 270 | P | 96.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.013 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 149.8 | -173.1 | 33.3 | -36.8 | 0 | 0 | 0 | 112.4 | V249 V251 L263 A268 Y272 L305 | V249-P270 HydrophobicContact CG2-CB 4.37Å; V249-P270 CarbonylContact O-C 3.54Å; V249-P270 WeakPolarHBondContact O-CA 3.45Å; V251-P270 HydrophobicContact CG2-CB 4.29Å; L263-P270 HydrophobicContact CD1-CB 3.87Å; L263-P270 HydrophobicContact CD1-CG 3.97Å; L263-P270 HydrophobicContact CD2-CB 4.17Å; A268-P270 WeakPolarHBondContact O-CD 3.46Å; P270-Y272 HydrophobicContact CB-CE1 3.9Å; P270-Y272 HydrophobicContact CB-CE2 4.22Å; P270-Y272 HydrophobicContact CG-CE1 4.37Å; P270-Y272 HydrophobicContact CG-CE2 4.08Å; P270-Y272 WeakPolarHBondContact CG-OH 3.44Å; P270-L305 HydrophobicContact CG-CD1 4.49Å |
| 271 | V | 96.5 | Very high | 96.1 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 4% | 0.036 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.6 | 162.7 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | V248 V249 V250 V251 K299 I300 T306 | V248-V271 HydrophobicContact CG1-CG2 4.13Å; V249-V271 PolarHBondContact O-N 2.85Å; V250-V271 WeakPolarHBondContact CA-O 3.39Å; V251-V271 PolarHBondContact N-O 2.81Å; V271-K299 HydrophobicContact CG1-CB 3.33Å; V271-K299 HydrophobicContact CG1-CD 4.25Å; V271-K299 HydrophobicContact CG1-CG 4.43Å; V271-I300 HydrophobicContact CB-CG1 4.42Å; V271-I300 HydrophobicContact CG1-CG1 4.43Å; V271-I300 HydrophobicContact CG2-CG1 3.73Å; V271-T306 HydrophobicContact CG2-CG2 3.85Å |
| 272 | Y | 97.1 | Very high | 96 | Very high | 15 Ų | 15 | 16.3 Ų | 16.3 | 6% | 0.059 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 136.9 | -166.4 | -58.8 | -74.1 | 0 | 0 | 0 | 114 | V251 P270 K299 L659 L706 | V251-Y272 HydrophobicContact CB-CD1 3.95Å; V251-Y272 HydrophobicContact CB-CE1 4.07Å; V251-Y272 HydrophobicContact CG1-CD1 4.14Å; V251-Y272 HydrophobicContact CG1-CE1 4.08Å; V251-Y272 CarbonylContact O-C 3.56Å; V251-Y272 VanDerWaalsContact O-CA 3.22Å; V251-Y272 WeakPolarHBondContact O-CA 3.31Å; P270-Y272 HydrophobicContact CB-CE1 3.9Å; P270-Y272 HydrophobicContact CB-CE2 4.22Å; P270-Y272 HydrophobicContact CG-CE1 4.37Å; P270-Y272 HydrophobicContact CG-CE2 4.08Å; P270-Y272 WeakPolarHBondContact CG-OH 3.44Å; Y272-K299 PolarHBondContact O-NZ 3.36Å; Y272-L659 HydrophobicContact CD2-CD2 4.25Å; Y272-L659 HydrophobicContact CG-CD2 4.32Å; Y272-L706 HydrophobicContact CE1-CD1 3.61Å; Y272-L706 HydrophobicContact CE2-CD1 4.29Å; Y272-L706 WeakPolarHBondContact OH-CD1 3.33Å |
| 273 | M | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 129.2 | 160.9 | -63.8 | 173.8 | -62.5 | 0 | 0 | 108.3 | V250 V251 D252 R253 I286 M291 L296 V318 V319 L338 | V250-M273 HydrophobicContact CG1-CE 3.83Å; V250-M273 HydrophobicContact CG1-CG 3.76Å; V250-M273 HydrophobicContact CG1-SD 3.76Å; V251-M273 PolarHBondContact O-N 2.92Å; D252-M273 HydrophobicContact CB-CE 4.3Å; R253-M273 WeakPolarHBondContact CB-O 3.43Å; R253-M273 PolarHBondContact N-O 2.89Å; M273-I286 HydrophobicContact CB-CD1 3.72Å; M273-I286 HydrophobicContact CB-CG1 4.16Å; M273-I286 HydrophobicContact CB-CG2 4Å; M273-I286 HydrophobicContact CE-CD1 4Å; M273-I286 HydrophobicContact SD-CD1 4.33Å; M273-M291 HydrophobicContact SD-CG 3.95Å; M273-L296 HydrophobicContact CG-CD2 4.05Å; M273-V318 WeakPolarHBondContact CE-O 3.31Å; M273-V319 HydrophobicContact CE-CG2 3.66Å; M273-L338 HydrophobicContact SD-CD2 3.97Å |
| 274 | V | 95.8 | Very high | 95.8 | Very high | 27 Ų | 27 | 16.2 Ų | 16.2 | 16% | 0.164 | 8% | 0.08 | C | C | . | . | P | Polyproline II helix | trans | -97.5 | 119.1 | -176.4 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | E290 L659 | V274-E290 PolarHBondContact N-OE2 3.02Å; V274-L659 HydrophobicContact CG2-CD1 3.85Å; V274-L659 HydrophobicContact CG2-CD2 3.93Å; V274-L659 HydrophobicContact CG2-CG 3.75Å |
| 275 | P | 95.2 | Very high | 95.7 | Very high | 13 Ų | 13 | 14.6 Ų | 14.6 | 8% | 0.084 | 7% | 0.072 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 159 | 175.4 | 35.1 | -41 | 0 | 0 | 0 | 110.8 | N254 I283 I286 | N254-P275 HydrophobicContact CB-CB 4.41Å; N254-P275 HydrophobicContact CB-CG 4Å; P275-I283 HydrophobicContact CB-CG2 4.42Å; P275-I286 HydrophobicContact CB-CG1 4.23Å |
| 276 | S | 95.1 | Very high | 95.7 | Very high | 14 Ų | 14 | 10.9 Ų | 10.9 | 10% | 0.098 | 5% | 0.052 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 161.1 | 167 | 60 | 0 | 0 | 0 | 0 | 112 | G284 P285 Y287 | S276-G284 WeakPolarHBondContact O-CA 3.29Å; S276-G284 PolarHBondContact O-N 3.36Å; S276-G284 WeakPolarHBondContact OG-CA 3.49Å; S276-P285 WeakPolarHBondContact CB-O 3.45Å; S276-P285 PolarHBondContact N-O 3.25Å; S276-P285 VanDerWaalsContact OG-CD 3.29Å; S276-P285 WeakPolarHBondContact OG-CD 3.37Å; S276-P285 PolarHBondContact OG-O 2.76Å; S276-Y287 VanDerWaalsContact CB-CE2 3.49Å |
| 277 | R | 94.1 | Very high | 95.7 | Very high | 45 Ų | 45 | 12.9 Ų | 12.9 | 17% | 0.17 | 6% | 0.059 | C | C | . | . | B | Isolated β-bridge | trans | -138.4 | 149.8 | 168.9 | -70.5 | -177.1 | -179.9 | -90.7 | 0.4 | 109.5 | G281 I282 Y656 | R277-G281 PolarHBondContact NH1-O 2.99Å; R277-I282 WeakPolarHBondContact CA-O 3.12Å; R277-Y656 VanDerWaalsContact NH2-CD1 3.27Å |
| 278 | N | 94.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 13.7 Ų | 13.7 | 2% | 0.016 | 6% | 0.064 | C | C | . | . | trans | -100.3 | -179.6 | 175 | 74.7 | 11.9 | 0 | 0 | 0 | 112 | Y280 G281 I282 H520 F522 N653 | N278-Y280 PolarHBondContact O-N 3.09Å; N278-Y280 VanDerWaalsContact O-N 3.12Å; N278-Y280 PolarHBondContact OD1-N 2.87Å; N278-G281 PolarHBondContact O-N 2.69Å; N278-G281 PolarHBondContact OD1-N 3.28Å; N278-I282 PolarHBondContact N-O 3.48Å; N278-I282 VanDerWaalsContact N-O 3.17Å; N278-I282 WeakPolarHBondContact OD1-CB 3.34Å; N278-I282 PolarHBondContact OD1-N 2.85Å; N278-I282 VanDerWaalsContact OD1-N 3.14Å; N278-H520 PolarHBondContact ND2-O 3.23Å; N278-F522 HydrophobicContact CB-CD1 3.89Å; N278-F522 HydrophobicContact CB-CE1 3.68Å; N278-F522 HydrophobicContact CB-CZ 4.24Å; N278-N653 PolarHBondContact O-ND2 2.96Å | ||
| 279 | R | 94 | Very high | 95.7 | Very high | 39 Ų | 39 | 19.2 Ų | 19.2 | 15% | 0.147 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.3 | -180 | 64.5 | -177.2 | -176.5 | -109.9 | 0.5 | 115.5 | G281 M544 G545 E546 | R279-G281 VanDerWaalsContact C-N 3.35Å; R279-M544 HydrophobicContact CB-SD 4.46Å; R279-M544 HydrophobicContact CG-CG 4.24Å; R279-G545 WeakPolarHBondContact CD-O 3.36Å; R279-G545 PolarHBondContact NE-O 3.2Å; R279-E546 PolarHBondContact NH1-O 3.43Å |
| 280 | Y | 93.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 19.6 Ų | 19.6 | 8% | 0.078 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 0.5 | 178.8 | -57.3 | -70.8 | 0 | 0 | 0 | 113.2 | N278 I282 L540 M544 T575 F577 | N278-Y280 PolarHBondContact O-N 3.09Å; N278-Y280 VanDerWaalsContact O-N 3.12Å; N278-Y280 PolarHBondContact OD1-N 2.87Å; Y280-I282 HydrophobicContact CD2-CD1 4.35Å; Y280-I282 PolarHBondContact O-N 3.4Å; Y280-L540 HydrophobicContact CD1-CD2 4.15Å; Y280-L540 HydrophobicContact CD2-CD2 4.19Å; Y280-L540 HydrophobicContact CE1-CD1 4.29Å; Y280-L540 HydrophobicContact CE1-CD2 4.17Å; Y280-L540 HydrophobicContact CE2-CD1 3.83Å; Y280-L540 HydrophobicContact CE2-CD2 4.22Å; Y280-L540 HydrophobicContact CG-CD2 4.15Å; Y280-M544 HydrophobicContact CD1-CB 4.3Å; Y280-M544 HydrophobicContact CD1-CG 4.01Å; Y280-M544 HydrophobicContact CE1-CB 3.76Å; Y280-M544 HydrophobicContact CE1-CG 3.64Å; Y280-T575 WeakPolarHBondContact O-CB 3.46Å; Y280-T575 WeakPolarHBondContact O-CG2 3.42Å; Y280-T575 PolarHBondContact O-OG1 2.66Å; Y280-F577 HydrophobicContact CD1-CB 4.31Å |
| 281 | G | 92.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | trans | 74.3 | 14.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R277 N278 R279 R573 | R277-G281 PolarHBondContact NH1-O 2.99Å; N278-G281 PolarHBondContact O-N 2.69Å; N278-G281 PolarHBondContact OD1-N 3.28Å; R279-G281 VanDerWaalsContact C-N 3.35Å; G281-R573 PolarHBondContact O-NH2 2.76Å | ||
| 282 | I | 95 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -70.1 | 135.4 | 173 | -63.8 | 171.7 | 0 | 0 | 0 | 108.6 | R277 N278 Y280 G284 D325 W480 F522 Q578 | R277-I282 WeakPolarHBondContact CA-O 3.12Å; N278-I282 PolarHBondContact N-O 3.48Å; N278-I282 VanDerWaalsContact N-O 3.17Å; N278-I282 WeakPolarHBondContact OD1-CB 3.34Å; N278-I282 PolarHBondContact OD1-N 2.85Å; N278-I282 VanDerWaalsContact OD1-N 3.14Å; Y280-I282 HydrophobicContact CD2-CD1 4.35Å; Y280-I282 PolarHBondContact O-N 3.4Å; I282-G284 PolarHBondContact O-N 2.83Å; I282-D325 HydrophobicContact CG2-CB 3.64Å; I282-W480 HydrophobicContact CD1-CD2 3.67Å; I282-W480 HydrophobicContact CD1-CE3 3.96Å; I282-W480 HydrophobicContact CD1-CG 4.16Å; I282-W480 HydrophobicContact CD1-CH2 4.26Å; I282-W480 HydrophobicContact CD1-CZ2 3.99Å; I282-W480 HydrophobicContact CD1-CZ3 4.23Å; I282-W480 HydrophobicContact CG2-CH2 3.64Å; I282-W480 HydrophobicContact CG2-CZ2 4.08Å; I282-W480 HydrophobicContact CG2-CZ3 3.98Å; I282-F522 HydrophobicContact CG2-CZ 4.15Å; I282-Q578 HydrophobicContact CD1-CG 4.14Å; I282-Q578 HydrophobicContact CG1-CG 4.29Å | ||
| 283 | I | 94.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -80.1 | 117.3 | -179 | -57 | 155.5 | 0 | 0 | 0 | 109.6 | N254 P275 T323 D325 V327 P700 I702 | N254-I283 WeakPolarHBondContact ND2-CG2 3.49Å; N254-I283 WeakPolarHBondContact OD1-CG2 3.43Å; P275-I283 HydrophobicContact CB-CG2 4.42Å; I283-T323 HydrophobicContact CG2-CG2 4.06Å; I283-T323 PolarHBondContact O-OG1 3.21Å; I283-D325 PolarHBondContact N-OD2 3.41Å; I283-V327 WeakPolarHBondContact O-CG2 3.46Å; I283-P700 HydrophobicContact CD1-CG 4.28Å; I283-I702 HydrophobicContact CD1-CD1 3.62Å |
| 284 | G | 95.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -91.4 | -173.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S276 I282 | S276-G284 WeakPolarHBondContact O-CA 3.29Å; S276-G284 PolarHBondContact O-N 3.36Å; S276-G284 WeakPolarHBondContact OG-CA 3.49Å; I282-G284 PolarHBondContact O-N 2.83Å | ||
| 285 | P | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -76.3 | 157.4 | 178.7 | 34 | -34.8 | 0 | 0 | 0 | 111.2 | S276 V327 Y329 I525 S530 | S276-P285 WeakPolarHBondContact CB-O 3.45Å; S276-P285 PolarHBondContact N-O 3.25Å; S276-P285 VanDerWaalsContact OG-CD 3.29Å; S276-P285 WeakPolarHBondContact OG-CD 3.37Å; S276-P285 PolarHBondContact OG-O 2.76Å; P285-V327 HydrophobicContact CB-CG1 4.41Å; P285-V327 HydrophobicContact CG-CG1 4.49Å; P285-Y329 WeakPolarHBondContact CA-OH 3.13Å; P285-Y329 HydrophobicContact CB-CD1 4.02Å; P285-Y329 HydrophobicContact CB-CE1 3.48Å; P285-Y329 VanDerWaalsContact CB-CE1 3.48Å; P285-I525 HydrophobicContact CG-CD1 4.09Å; P285-S530 VanDerWaalsContact CB-OG 3.31Å; P285-S530 WeakPolarHBondContact CB-OG 3.48Å; P285-S530 WeakPolarHBondContact CG-OG 3.27Å |
| 286 | I | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 127.2 | 153.7 | -64.6 | 161 | 0 | 0 | 0 | 107.7 | D252 M273 P275 E290 M291 V319 Y329 W529 | D252-I286 HydrophobicContact CB-CD1 3.84Å; D252-I286 VanDerWaalsContact CG-CD1 3.41Å; D252-I286 WeakPolarHBondContact OD1-CD1 3.41Å; M273-I286 HydrophobicContact CB-CD1 3.72Å; M273-I286 HydrophobicContact CB-CG1 4.16Å; M273-I286 HydrophobicContact CB-CG2 4Å; M273-I286 HydrophobicContact CE-CD1 4Å; M273-I286 HydrophobicContact SD-CD1 4.33Å; P275-I286 HydrophobicContact CB-CG1 4.23Å; I286-E290 HydrophobicContact CG2-CB 3.44Å; I286-E290 VanDerWaalsContact CG2-CB 3.44Å; I286-E290 HydrophobicContact CG2-CG 4.23Å; I286-M291 HydrophobicContact CB-CE 3.84Å; I286-M291 HydrophobicContact CD1-CE 4.27Å; I286-M291 HydrophobicContact CG2-CE 3.78Å; I286-M291 HydrophobicContact CG2-CG 4.02Å; I286-V319 HydrophobicContact CD1-CG1 4.37Å; I286-Y329 HydrophobicContact CB-CE1 4.09Å; I286-Y329 WeakPolarHBondContact CG1-OH 3.27Å; I286-Y329 PolarHBondContact N-OH 2.85Å; I286-W529 WeakPolarHBondContact O-CZ2 3.47Å; I286-W529 PolarHBondContact O-NE1 3.4Å |
| 287 | Y | 96.7 | Very high | 95.9 | Very high | 49 Ų | 49 | 31 Ų | 31 | 19% | 0.192 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 153.7 | 177.1 | -67 | -64.9 | 0 | 0 | 0 | 112.3 | S276 Q289 E290 K523 I525 | S276-Y287 VanDerWaalsContact CB-CE2 3.49Å; Y287-Q289 PolarHBondContact O-N 3.14Å; Y287-E290 WeakPolarHBondContact O-CB 3.41Å; Y287-E290 PolarHBondContact O-N 3.01Å; Y287-K523 VanDerWaalsContact CZ-O 3.28Å; Y287-K523 PolarHBondContact OH-O 3.42Å; Y287-I525 HydrophobicContact CE1-CB 4.41Å |
| 288 | P | 97.4 | Very high | 96 | Very high | 21 Ų | 21 | 34.7 Ų | 34.7 | 14% | 0.136 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -53 | -31.6 | -179.1 | -31.6 | 38.7 | 0 | 0 | 0 | 115.2 | E290 M291 Q292 L337 P526 W529 | P288-E290 VanDerWaalsContact C-N 3.26Å; P288-E290 PolarHBondContact O-N 2.73Å; P288-M291 PolarHBondContact O-N 3.3Å; P288-M291 VanDerWaalsContact O-N 3.13Å; P288-Q292 WeakPolarHBondContact O-CG 3.36Å; P288-Q292 PolarHBondContact O-N 3.45Å; P288-Q292 PolarHBondContact O-NE2 3.42Å; P288-L337 HydrophobicContact CB-CD1 3.73Å; P288-P526 HydrophobicContact CG-CG 3.83Å; P288-W529 HydrophobicContact CG-CD2 3.7Å; P288-W529 HydrophobicContact CG-CE3 3.83Å; P288-W529 HydrophobicContact CG-CG 4.29Å; P288-W529 HydrophobicContact CG-CH2 4.05Å; P288-W529 HydrophobicContact CG-CZ2 3.91Å; P288-W529 HydrophobicContact CG-CZ3 4Å |
| 289 | Q | 96.5 | Very high | 96.1 | Very high | 115 Ų | 115 | 36.2 Ų | 36.2 | 54% | 0.537 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -62.4 | -33.6 | 179.7 | -63.9 | 80.4 | -1.1 | 0 | 0 | 112 | Y287 M291 Q292 T295 | Y287-Q289 PolarHBondContact O-N 3.14Å; Q289-M291 VanDerWaalsContact C-N 3.27Å; Q289-M291 PolarHBondContact O-N 3.38Å; Q289-Q292 PolarHBondContact O-N 2.95Å; Q289-T295 WeakPolarHBondContact O-CB 3.21Å; Q289-T295 WeakPolarHBondContact O-CG2 3.45Å; Q289-T295 PolarHBondContact O-OG1 3.22Å |
| 290 | E | 96.6 | Very high | 96.2 | Very high | 41 Ų | 41 | 34.4 Ų | 34.4 | 19% | 0.192 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -71.2 | -22.9 | 177.5 | -73.5 | -79.6 | 109.8 | 0 | 0 | 112.4 | V274 I286 Y287 P288 L296 K299 | V274-E290 PolarHBondContact N-OE2 3.02Å; I286-E290 HydrophobicContact CG2-CB 3.44Å; I286-E290 VanDerWaalsContact CG2-CB 3.44Å; I286-E290 HydrophobicContact CG2-CG 4.23Å; Y287-E290 WeakPolarHBondContact O-CB 3.41Å; Y287-E290 PolarHBondContact O-N 3.01Å; P288-E290 VanDerWaalsContact C-N 3.26Å; P288-E290 PolarHBondContact O-N 2.73Å; E290-L296 WeakPolarHBondContact O-CD2 3.43Å; E290-K299 IonicContact OE1-NZ 2.77Å; E290-K299 PolarHBondContact OE1-NZ 2.91Å; E290-K299 VanDerWaalsContact OE1-NZ 3.14Å; E290-K299 IonicContact OE2-NZ 3.13Å; E290-K299 PolarHBondContact OE2-NZ 3.46Å |
| 291 | M | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -93.3 | -3.4 | 178.9 | -60.1 | -170.9 | -179 | 0 | 0 | 113.5 | M273 I286 P288 Q289 V319 Y329 A334 L337 L338 W529 | M273-M291 HydrophobicContact SD-CG 3.95Å; I286-M291 HydrophobicContact CB-CE 3.84Å; I286-M291 HydrophobicContact CD1-CE 4.27Å; I286-M291 HydrophobicContact CG2-CE 3.78Å; I286-M291 HydrophobicContact CG2-CG 4.02Å; P288-M291 PolarHBondContact O-N 3.3Å; P288-M291 VanDerWaalsContact O-N 3.13Å; Q289-M291 VanDerWaalsContact C-N 3.27Å; Q289-M291 PolarHBondContact O-N 3.38Å; M291-V319 HydrophobicContact CE-CG2 4.12Å; M291-Y329 HydrophobicContact CE-CE1 4.24Å; M291-A334 HydrophobicContact CE-CB 4.3Å; M291-A334 HydrophobicContact SD-CB 4.04Å; M291-L337 HydrophobicContact CB-CB 4.01Å; M291-L337 HydrophobicContact CB-CD1 4.22Å; M291-L338 HydrophobicContact CB-CD2 3.91Å; M291-L338 HydrophobicContact CB-CG 4.31Å; M291-L338 HydrophobicContact CG-CD2 3.99Å; M291-L338 HydrophobicContact CG-CG 4.31Å; M291-L338 HydrophobicContact SD-CD1 4.04Å; M291-L338 HydrophobicContact SD-CD2 4.27Å; M291-L338 HydrophobicContact SD-CG 3.94Å; M291-W529 HydrophobicContact CE-CH2 4.39Å; M291-W529 HydrophobicContact CE-CZ2 4.03Å; M291-W529 HydrophobicContact SD-CH2 3.86Å; M291-W529 HydrophobicContact SD-CZ2 4.01Å |
| 292 | Q | 97.4 | Very high | 96.4 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 26% | 0.257 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -70.1 | 140.1 | -179.6 | -62.1 | -60 | -25.4 | 0 | 0 | 111.7 | P288 Q289 E294 T295 L296 | P288-Q292 WeakPolarHBondContact O-CG 3.36Å; P288-Q292 PolarHBondContact O-N 3.45Å; P288-Q292 PolarHBondContact O-NE2 3.42Å; Q289-Q292 PolarHBondContact O-N 2.95Å; Q292-E294 PolarHBondContact O-N 3.25Å; Q292-T295 PolarHBondContact O-N 3.38Å; Q292-T295 VanDerWaalsContact O-N 3.15Å; Q292-L296 WeakPolarHBondContact O-CG 3.47Å; Q292-L296 PolarHBondContact O-N 2.99Å |
| 293 | P | 96.5 | Very high | 96.3 | Very high | 30 Ų | 30 | 43 Ų | 43 | 20% | 0.195 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.2 | -40.1 | 177.9 | -28 | 35.9 | 0 | 0 | 0 | 113.6 | L296 Q297 K340 | P293-L296 PolarHBondContact O-N 2.89Å; P293-Q297 WeakPolarHBondContact O-CB 3.39Å; P293-Q297 VanDerWaalsContact O-CG 3.29Å; P293-Q297 WeakPolarHBondContact O-CG 3.5Å; P293-Q297 PolarHBondContact O-N 3.24Å; P293-K340 HydrophobicContact CG-CB 3.63Å; P293-K340 HydrophobicContact CG-CD 4.27Å |
| 294 | E | 96.6 | Very high | 96.2 | Very high | 137 Ų | 137 | 45.8 Ų | 45.8 | 64% | 0.64 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.8 | -42.8 | -179.1 | -59.5 | 75.2 | -163.5 | 0 | 0 | 111.6 | Q292 Q297 K298 | Q292-E294 PolarHBondContact O-N 3.25Å; E294-Q297 PolarHBondContact O-N 2.89Å; E294-K298 WeakPolarHBondContact O-CB 3.26Å; E294-K298 PolarHBondContact O-N 3.22Å |
| 295 | T | 97.3 | Very high | 96.2 | Very high | 40 Ų | 40 | 46.4 Ų | 46.4 | 25% | 0.245 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 176 | -57 | 0 | 0 | 0 | 0 | 110.7 | Q289 Q292 K298 K299 | Q289-T295 WeakPolarHBondContact O-CB 3.21Å; Q289-T295 WeakPolarHBondContact O-CG2 3.45Å; Q289-T295 PolarHBondContact O-OG1 3.22Å; Q292-T295 PolarHBondContact O-N 3.38Å; Q292-T295 VanDerWaalsContact O-N 3.15Å; T295-K298 WeakPolarHBondContact O-CB 3.33Å; T295-K298 PolarHBondContact O-N 3.49Å; T295-K299 WeakPolarHBondContact O-CG 3.27Å; T295-K299 PolarHBondContact O-N 3.4Å |
| 296 | L | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 179.6 | -66.4 | 172.6 | 0 | 0 | 0 | 111.6 | V250 M273 E290 Q292 P293 K298 K299 I300 T341 | V250-L296 HydrophobicContact CG1-CD1 4.31Å; V250-L296 HydrophobicContact CG1-CD2 3.66Å; V250-L296 HydrophobicContact CG2-CD1 4.37Å; V250-L296 HydrophobicContact CG2-CD2 4.29Å; M273-L296 HydrophobicContact CG-CD2 4.05Å; E290-L296 WeakPolarHBondContact O-CD2 3.43Å; Q292-L296 WeakPolarHBondContact O-CG 3.47Å; Q292-L296 PolarHBondContact O-N 2.99Å; P293-L296 PolarHBondContact O-N 2.89Å; L296-K298 PolarHBondContact O-N 3.48Å; L296-K299 PolarHBondContact O-N 3.24Å; L296-I300 VanDerWaalsContact O-CG1 3.24Å; L296-I300 WeakPolarHBondContact O-CG1 3.32Å; L296-I300 PolarHBondContact O-N 3.16Å; L296-T341 HydrophobicContact CD1-CG2 3.8Å |
| 297 | Q | 96.1 | Very high | 96.1 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 175 | -74.5 | -62.2 | -36.1 | 0 | 0 | 112.8 | P293 E294 I300 S301 G311 Q312 | P293-Q297 WeakPolarHBondContact O-CB 3.39Å; P293-Q297 VanDerWaalsContact O-CG 3.29Å; P293-Q297 WeakPolarHBondContact O-CG 3.5Å; P293-Q297 PolarHBondContact O-N 3.24Å; E294-Q297 PolarHBondContact O-N 2.89Å; Q297-I300 PolarHBondContact O-N 3.39Å; Q297-S301 PolarHBondContact O-N 3.5Å; Q297-G311 VanDerWaalsContact OE1-CA 3.3Å; Q297-Q312 PolarHBondContact NE2-O 3.39Å; Q297-Q312 VanDerWaalsContact NE2-O 3.12Å |
| 298 | K | 96.6 | Very high | 95.9 | Very high | 122 Ų | 122 | 55.6 Ų | 55.6 | 53% | 0.53 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.8 | -50.6 | 172.6 | -178.5 | -177.8 | 172.6 | -172.2 | 0 | 110.7 | E294 T295 L296 I300 S301 E302 | E294-K298 WeakPolarHBondContact O-CB 3.26Å; E294-K298 PolarHBondContact O-N 3.22Å; T295-K298 WeakPolarHBondContact O-CB 3.33Å; T295-K298 PolarHBondContact O-N 3.49Å; L296-K298 PolarHBondContact O-N 3.48Å; K298-I300 VanDerWaalsContact C-N 3.31Å; K298-I300 PolarHBondContact O-N 2.97Å; K298-S301 PolarHBondContact O-N 3.24Å; K298-S301 PolarHBondContact O-OG 3.48Å; K298-E302 VanDerWaalsContact CE-CD 3.48Å; K298-E302 WeakPolarHBondContact CE-OE1 3.31Å; K298-E302 WeakPolarHBondContact CE-OE2 3.25Å; K298-E302 HydrophobicContact CG-CG 4.44Å; K298-E302 IonicContact NZ-OE1 2.78Å; K298-E302 WeakPolarHBondContact O-CG 3.47Å; K298-E302 PolarHBondContact O-N 3.41Å |
| 299 | K | 96.2 | Very high | 95.7 | Very high | 35 Ų | 35 | 55.7 Ų | 55.7 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 177.9 | -68.6 | 177.8 | 172.6 | -173.4 | 0 | 112.8 | V271 Y272 E290 T295 L296 S301 E302 S303 | V271-K299 HydrophobicContact CG1-CB 3.33Å; V271-K299 HydrophobicContact CG1-CD 4.25Å; V271-K299 HydrophobicContact CG1-CG 4.43Å; Y272-K299 PolarHBondContact O-NZ 3.36Å; E290-K299 IonicContact OE1-NZ 2.77Å; E290-K299 PolarHBondContact OE1-NZ 2.91Å; E290-K299 VanDerWaalsContact OE1-NZ 3.14Å; E290-K299 IonicContact OE2-NZ 3.13Å; E290-K299 PolarHBondContact OE2-NZ 3.46Å; T295-K299 WeakPolarHBondContact O-CG 3.27Å; T295-K299 PolarHBondContact O-N 3.4Å; L296-K299 PolarHBondContact O-N 3.24Å; K299-S301 VanDerWaalsContact C-N 3.3Å; K299-S301 PolarHBondContact O-N 3.03Å; K299-E302 PolarHBondContact O-N 3.18Å; K299-S303 WeakPolarHBondContact O-CB 3.43Å; K299-S303 PolarHBondContact O-N 3.09Å |
| 300 | I | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.2 | -44.7 | 173.5 | -69.4 | 163.6 | 0 | 0 | 0 | 110.5 | V248 V271 L296 Q297 K298 T306 K307 P314 | V248-I300 HydrophobicContact CG1-CD1 3.94Å; V248-I300 HydrophobicContact CG1-CG1 3.87Å; V248-I300 HydrophobicContact CG1-CG2 4.49Å; V271-I300 HydrophobicContact CB-CG1 4.42Å; V271-I300 HydrophobicContact CG1-CG1 4.43Å; V271-I300 HydrophobicContact CG2-CG1 3.73Å; L296-I300 VanDerWaalsContact O-CG1 3.24Å; L296-I300 WeakPolarHBondContact O-CG1 3.32Å; L296-I300 PolarHBondContact O-N 3.16Å; Q297-I300 PolarHBondContact O-N 3.39Å; K298-I300 VanDerWaalsContact C-N 3.31Å; K298-I300 PolarHBondContact O-N 2.97Å; I300-T306 WeakPolarHBondContact CA-OG1 3.44Å; I300-T306 CarbonylContact O-C 3.57Å; I300-T306 PolarHBondContact O-OG1 3.07Å; I300-K307 WeakPolarHBondContact O-CA 3.28Å; I300-K307 PolarHBondContact O-N 2.78Å; I300-P314 HydrophobicContact CD1-CG 3.86Å |
| 301 | S | 96.2 | Very high | 95.1 | Very high | 56 Ų | 56 | 54 Ų | 54 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72 | -26.4 | -178.4 | 73.1 | 0 | 0 | 0 | 0 | 114.4 | Q297 K298 K299 K307 | Q297-S301 PolarHBondContact O-N 3.5Å; K298-S301 PolarHBondContact O-N 3.24Å; K298-S301 PolarHBondContact O-OG 3.48Å; K299-S301 VanDerWaalsContact C-N 3.3Å; K299-S301 PolarHBondContact O-N 3.03Å; S301-K307 VanDerWaalsContact O-CB 3.28Å; S301-K307 WeakPolarHBondContact O-CB 3.47Å |
| 302 | E | 94.6 | Very high | 94.8 | Very high | 123 Ų | 123 | 57.8 Ų | 57.8 | 58% | 0.575 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -91.1 | -26.8 | -177.2 | -70.8 | 175.8 | 163.3 | 0 | 0 | 112.9 | K298 K299 | K298-E302 VanDerWaalsContact CE-CD 3.48Å; K298-E302 WeakPolarHBondContact CE-OE1 3.31Å; K298-E302 WeakPolarHBondContact CE-OE2 3.25Å; K298-E302 HydrophobicContact CG-CG 4.44Å; K298-E302 IonicContact NZ-OE1 2.78Å; K298-E302 WeakPolarHBondContact O-CG 3.47Å; K298-E302 PolarHBondContact O-N 3.41Å; K299-E302 PolarHBondContact O-N 3.18Å |
| 303 | S | 93 | Very high | 94.6 | Very high | 22 Ų | 22 | 60 Ų | 60 | 15% | 0.154 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -69.1 | 131.1 | -178 | 167.3 | 0 | 0 | 0 | 0 | 112.2 | K299 L305 T306 K307 | K299-S303 WeakPolarHBondContact O-CB 3.43Å; K299-S303 PolarHBondContact O-N 3.09Å; S303-L305 PolarHBondContact O-N 3.02Å; S303-L305 VanDerWaalsContact O-N 3.16Å; S303-L305 PolarHBondContact OG-N 3.32Å; S303-T306 WeakPolarHBondContact CB-OG1 3.38Å; S303-T306 PolarHBondContact O-N 2.92Å; S303-T306 VanDerWaalsContact O-N 3.16Å; S303-K307 VanDerWaalsContact O-CB 3.31Å; S303-K307 WeakPolarHBondContact O-CB 3.17Å; S303-K307 PolarHBondContact O-N 3.42Å |
| 304 | P | 93.5 | Very high | 94.7 | Very high | 60 Ų | 60 | 58.7 Ų | 58.7 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34.1 | 174.2 | -26.2 | 34.5 | 0 | 0 | 0 | 113.5 | V661 | P304-V661 HydrophobicContact CG-CG1 4.06Š|
| 305 | L | 94.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -37.3 | -179 | -61 | -174 | 0 | 0 | 0 | 112.4 | K269 P270 S303 A662 T665 | K269-L305 HydrophobicContact CD-CB 4.38Å; K269-L305 WeakPolarHBondContact CD-O 3.36Å; K269-L305 WeakPolarHBondContact CE-O 3.46Å; K269-L305 PolarHBondContact NZ-O 3.5Å; P270-L305 HydrophobicContact CG-CD1 4.49Å; S303-L305 PolarHBondContact O-N 3.02Å; S303-L305 VanDerWaalsContact O-N 3.16Å; S303-L305 PolarHBondContact OG-N 3.32Å; L305-A662 HydrophobicContact CD1-CB 3.64Å; L305-A662 HydrophobicContact CG-CB 4Å; L305-T665 HydrophobicContact CD1-CG2 4.36Å; L305-T665 HydrophobicContact CD2-CG2 4.15Å |
| 306 | T | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -2.6 | -166.5 | 59.6 | 0 | 0 | 0 | 0 | 115.4 | V248 K269 V271 I300 S303 D308 K309 | V248-T306 HydrophobicContact CG1-CG2 4.27Å; V248-T306 HydrophobicContact CG2-CG2 4.15Å; K269-T306 HydrophobicContact CB-CG2 3.56Å; K269-T306 HydrophobicContact CD-CG2 4.45Å; V271-T306 HydrophobicContact CG2-CG2 3.85Å; I300-T306 WeakPolarHBondContact CA-OG1 3.44Å; I300-T306 CarbonylContact O-C 3.57Å; I300-T306 PolarHBondContact O-OG1 3.07Å; S303-T306 WeakPolarHBondContact CB-OG1 3.38Å; S303-T306 PolarHBondContact O-N 2.92Å; S303-T306 VanDerWaalsContact O-N 3.16Å; T306-D308 PolarHBondContact O-N 3.43Å; T306-D308 VanDerWaalsContact O-N 3.1Å; T306-K309 WeakPolarHBondContact O-CA 3.42Å; T306-K309 WeakPolarHBondContact O-CB 3.43Å; T306-K309 PolarHBondContact O-N 2.98Å |
| 307 | K | 94.3 | Very high | 94.8 | Very high | 132 Ų | 132 | 51.6 Ų | 51.6 | 57% | 0.574 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -55.3 | -29.9 | -177.9 | 62.9 | -175.4 | 177.5 | -172.7 | 0 | 114.2 | I300 S301 S303 K309 | I300-K307 WeakPolarHBondContact O-CA 3.28Å; I300-K307 PolarHBondContact O-N 2.78Å; S301-K307 VanDerWaalsContact O-CB 3.28Å; S301-K307 WeakPolarHBondContact O-CB 3.47Å; S303-K307 VanDerWaalsContact O-CB 3.31Å; S303-K307 WeakPolarHBondContact O-CB 3.17Å; S303-K307 PolarHBondContact O-N 3.42Å; K307-K309 PolarHBondContact O-N 2.91Å |
| 308 | D | 94.3 | Very high | 94.9 | Very high | 111 Ų | 111 | 49 Ų | 49 | 59% | 0.594 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -71.1 | -7 | 175.3 | 63.4 | -46.8 | 0 | 0 | 0 | 113.5 | K269 T306 | K269-D308 IonicContact NZ-OD1 3.68Å; K269-D308 IonicContact NZ-OD2 3.82Å; T306-D308 PolarHBondContact O-N 3.43Å; T306-D308 VanDerWaalsContact O-N 3.1Å |
| 309 | K | 93 | Very high | 95 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 10% | 0.096 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -120.9 | 18 | -175.5 | -57.1 | -179.6 | -173.2 | 171.8 | 0 | 112.8 | N246 V248 T306 K307 G311 Q312 | N246-K309 VanDerWaalsContact C-NZ 3.34Å; N246-K309 VanDerWaalsContact CA-NZ 3.28Å; N246-K309 PolarHBondContact O-NZ 3.08Å; N246-K309 PolarHBondContact OD1-NZ 2.99Å; V248-K309 HydrophobicContact CG2-CB 3.62Å; V248-K309 HydrophobicContact CG2-CD 3.54Å; V248-K309 HydrophobicContact CG2-CG 4.19Å; T306-K309 WeakPolarHBondContact O-CA 3.42Å; T306-K309 WeakPolarHBondContact O-CB 3.43Å; T306-K309 PolarHBondContact O-N 2.98Å; K307-K309 PolarHBondContact O-N 2.91Å; K309-G311 PolarHBondContact O-N 3.38Å; K309-Q312 HydrophobicContact CB-CB 4.37Å; K309-Q312 WeakPolarHBondContact O-CB 3.42Å; K309-Q312 PolarHBondContact O-N 3.25Å |
| 310 | A | 90.4 | Very high | 95.1 | Very high | 58 Ų | 58 | 42.2 Ų | 42.2 | 48% | 0.479 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 133.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q312 | A310-Q312 VanDerWaalsContact C-N 3.31Š|
| 311 | G | 89.3 | Confident | 95.2 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 66% | 0.66 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -9.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q297 K309 | Q297-G311 VanDerWaalsContact OE1-CA 3.3Å; K309-G311 PolarHBondContact O-N 3.38Å |
| 312 | Q | 90.8 | Very high | 95.2 | Very high | 79 Ų | 79 | 39.6 Ų | 39.6 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -71.1 | 136.3 | 171.8 | -171.3 | 173.3 | -14.4 | 0 | 0 | 110.1 | Q297 K309 A310 P314 | Q297-Q312 PolarHBondContact NE2-O 3.39Å; Q297-Q312 VanDerWaalsContact NE2-O 3.12Å; K309-Q312 HydrophobicContact CB-CB 4.37Å; K309-Q312 WeakPolarHBondContact O-CB 3.42Å; K309-Q312 PolarHBondContact O-N 3.25Å; A310-Q312 VanDerWaalsContact C-N 3.31Å; Q312-P314 WeakPolarHBondContact O-CD 3.49Å |
| 313 | K | 94.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 33.8 Ų | 33.8 | 44% | 0.439 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -70.9 | 123.6 | 172.5 | -172.2 | 179.8 | 179.7 | 177.4 | 0 | 109.3 | T341 D343 | K313-T341 VanDerWaalsContact CE-O 3.22Å; K313-T341 WeakPolarHBondContact CE-O 3.31Å; K313-T341 WeakPolarHBondContact CG-O 3.02Å; K313-D343 IonicContact NZ-OD1 3.14Å; K313-D343 PolarHBondContact NZ-OD1 3.14Å; K313-D343 IonicContact NZ-OD2 3.42Å; K313-D343 PolarHBondContact NZ-OD2 2.96Å |
| 314 | P | 97.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 136.9 | 175.5 | -28.1 | 38 | 0 | 0 | 0 | 113 | V248 V250 I300 Q312 Y316 T341 S342 | V248-P314 HydrophobicContact CG1-CG 4.39Å; V248-P314 CarbonylContact O-C 3.6Å; V248-P314 VanDerWaalsContact O-CA 3.24Å; V248-P314 WeakPolarHBondContact O-CA 3.45Å; V250-P314 HydrophobicContact CG2-CB 3.83Å; V250-P314 HydrophobicContact CG2-CG 3.83Å; I300-P314 HydrophobicContact CD1-CG 3.86Å; Q312-P314 WeakPolarHBondContact O-CD 3.49Å; P314-Y316 VanDerWaalsContact C-N 3.31Å; P314-Y316 PolarHBondContact O-N 3.39Å; P314-T341 HydrophobicContact CB-CG2 4.21Å; P314-T341 HydrophobicContact CG-CG2 3.62Å; P314-S342 WeakPolarHBondContact O-CB 3.47Å; P314-S342 PolarHBondContact O-OG 3.33Å |
| 315 | S | 97.1 | Very high | 95.5 | Very high | 26 Ų | 26 | 30.7 Ų | 30.7 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -79.2 | -15.8 | -174.9 | 66.3 | 0 | 0 | 0 | 0 | 113.8 | D247 V248 S342 | D247-S315 WeakPolarHBondContact CB-OG 3.31Å; D247-S315 PolarHBondContact OD2-OG 3.11Å; V248-S315 PolarHBondContact O-N 3.48Å; S315-S342 VanDerWaalsContact C-OG 3.32Å; S315-S342 PolarHBondContact O-OG 2.82Å |
| 316 | Y | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -161.5 | 144.7 | -174.7 | 168.1 | -93.3 | 0 | 0 | 0 | 111.2 | I238 M239 C242 M243 V249 V250 P314 V318 S342 R344 H346 | I238-Y316 HydrophobicContact CG2-CE2 3.89Å; M239-Y316 HydrophobicContact CG-CE1 4.29Å; C242-Y316 HydrophobicContact CB-CD2 3.92Å; C242-Y316 HydrophobicContact CB-CG 4.47Å; M243-Y316 HydrophobicContact CE-CD1 3.28Å; M243-Y316 HydrophobicContact CE-CD2 4Å; M243-Y316 HydrophobicContact CE-CE1 3.67Å; M243-Y316 HydrophobicContact CE-CE2 4.36Å; M243-Y316 HydrophobicContact CE-CG 3.42Å; M243-Y316 VanDerWaalsContact CE-CG 3.42Å; V249-Y316 HydrophobicContact CB-CD1 4.3Å; V249-Y316 HydrophobicContact CG1-CD1 4.41Å; V250-Y316 PolarHBondContact N-O 3.24Å; P314-Y316 VanDerWaalsContact C-N 3.31Å; P314-Y316 PolarHBondContact O-N 3.39Å; Y316-V318 HydrophobicContact CE1-CB 3.58Å; Y316-V318 HydrophobicContact CE1-CG1 3.67Å; Y316-V318 WeakPolarHBondContact OH-CB 3.14Å; Y316-S342 PolarHBondContact N-OG 2.97Å; Y316-R344 WeakPolarHBondContact CA-O 3.49Å; Y316-H346 HydrophobicContact CE2-CB 3.47Å; Y316-H346 VanDerWaalsContact CE2-CB 3.47Å; Y316-H346 AromaticContact CE2-ND1 3.91Å; Y316-H346 AromaticContact CZ-ND1 3.64Å; Y316-H346 PolarHBondContact OH-ND1 3.05Å | ||
| 317 | C | 98.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.9 | 171.1 | -62 | 0 | 0 | 0 | 0 | 110.2 | V250 S342 R344 L345 H346 | V250-C317 HydrophobicContact CB-CB 4.27Å; V250-C317 CarbonylContact O-C 3.56Å; V250-C317 VanDerWaalsContact O-CA 3.28Å; V250-C317 WeakPolarHBondContact O-CA 3.46Å; C317-S342 WeakPolarHBondContact SG-CB 3.4Å; C317-R344 PolarHBondContact N-O 3.02Å; C317-L345 HydrophobicContact CB-CD2 3.82Å; C317-L345 CarbonylContact O-C 3.54Å; C317-L345 WeakPolarHBondContact O-CA 3.24Å; C317-H346 PolarHBondContact O-N 3.19Å |
| 318 | V | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137 | 173.8 | 60.9 | 0 | 0 | 0 | 0 | 113 | V250 V251 D252 I259 M273 Y316 H346 | V250-V318 PolarHBondContact O-N 2.89Å; V251-V318 HydrophobicContact CB-CG1 4.15Å; V251-V318 HydrophobicContact CG1-CG1 3.94Å; V251-V318 HydrophobicContact CG2-CG1 4.05Å; D252-V318 WeakPolarHBondContact CB-O 3.42Å; D252-V318 PolarHBondContact N-O 3.26Å; I259-V318 HydrophobicContact CD1-CG2 4.09Å; I259-V318 HydrophobicContact CG2-CG1 4.15Å; M273-V318 WeakPolarHBondContact CE-O 3.31Å; Y316-V318 HydrophobicContact CE1-CB 3.58Å; Y316-V318 HydrophobicContact CE1-CG1 3.67Å; Y316-V318 WeakPolarHBondContact OH-CB 3.14Å; V318-H346 CarbonylContact C-O 3.57Å; V318-H346 VanDerWaalsContact CA-O 3.23Å; V318-H346 WeakPolarHBondContact CA-O 3.41Å; V318-H346 HydrophobicContact CB-CB 4.26Å; V318-H346 HydrophobicContact CG2-CB 4.15Å; V318-H346 WeakPolarHBondContact CG2-O 3.26Å |
| 319 | V | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.1 | 175.2 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | M273 I286 M291 Y329 L338 H346 F347 D348 | M273-V319 HydrophobicContact CE-CG2 3.66Å; I286-V319 HydrophobicContact CD1-CG1 4.37Å; M291-V319 HydrophobicContact CE-CG2 4.12Å; V319-Y329 HydrophobicContact CG1-CD2 4.2Å; V319-Y329 HydrophobicContact CG1-CE2 3.86Å; V319-L338 HydrophobicContact CG2-CD1 3.63Å; V319-H346 PolarHBondContact N-O 2.79Å; V319-F347 HydrophobicContact CB-CD1 4.45Å; V319-F347 CarbonylContact O-C 3.47Å; V319-F347 WeakPolarHBondContact O-CA 3.49Å; V319-D348 PolarHBondContact O-N 3.23Å |
| 320 | T | 98.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 17.6 Ų | 17.6 | 9% | 0.092 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 116.2 | 173.6 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | D252 Y329 | D252-T320 PolarHBondContact OD2-N 3.38Å; D252-T320 VanDerWaalsContact OD2-N 3.07Å; T320-Y329 VanDerWaalsContact O-CE2 3.23Å; T320-Y329 WeakPolarHBondContact O-CE2 3.33Å |
| 321 | N | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -133.8 | 118.1 | -176.7 | -178.1 | 45.7 | 0 | 0 | 0 | 112.9 | Y329 F347 D348 E349 Y352 H364 | N321-Y329 HydrophobicContact CB-CD2 4.16Å; N321-Y329 PolarHBondContact OD1-N 3.18Å; N321-F347 HydrophobicContact CB-CD1 3.99Å; N321-D348 PolarHBondContact N-O 3.25Å; N321-E349 HydrophobicContact CB-CG 4.39Å; N321-E349 PolarHBondContact ND2-OE1 3.16Å; N321-E349 VanDerWaalsContact ND2-OE1 3.13Å; N321-E349 WeakPolarHBondContact O-CA 3.45Å; N321-E349 WeakPolarHBondContact O-CB 3.16Å; N321-E349 VanDerWaalsContact O-CG 3.25Å; N321-E349 WeakPolarHBondContact O-CG 3.3Å; N321-Y352 WeakPolarHBondContact O-CB 3.4Å; N321-H364 PolarHBondContact ND2-O 2.94Å |
| 322 | C | 97.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | S | Bend | cis | -70.9 | 170.1 | -9.2 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | V327 C328 Y352 K536 | C322-V327 WeakPolarHBondContact CA-O 3.26Å; C322-V327 VanDerWaalsContact CB-O 3.3Å; C322-V327 WeakPolarHBondContact CB-O 3.3Å; C322-C328 HydrophobicContact CB-CB 4.21Å; C322-C328 VanDerWaalsContact CB-SG 3.57Å; C322-Y352 HydrophobicContact CB-CD2 4.41Å; C322-Y352 HydrophobicContact CB-CG 4.48Å; C322-K536 PolarHBondContact SG-NZ 2.97Å; C322-K536 VanDerWaalsContact SG-NZ 3.4Å |
| 323 | T | 96.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -62 | 164.8 | 165.5 | 73.3 | 0 | 0 | 0 | 0 | 110.3 | I283 D325 G326 V327 Y329 | I283-T323 HydrophobicContact CG2-CG2 4.06Å; I283-T323 PolarHBondContact O-OG1 3.21Å; T323-D325 PolarHBondContact O-N 3.49Å; T323-G326 PolarHBondContact O-N 3.29Å; T323-V327 HydrophobicContact CG2-CB 4.04Å; T323-V327 PolarHBondContact N-O 2.85Å; T323-V327 WeakPolarHBondContact OG1-CB 2.84Å; T323-V327 PolarHBondContact OG1-N 2.86Å; T323-V327 VanDerWaalsContact OG1-N 3.11Å; T323-Y329 HydrophobicContact CG2-CE2 4.34Å | ||
| 324 | Y | 94.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 11 Ų | 11 | 7% | 0.067 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -40.7 | 178.2 | -168.6 | -83.2 | 0 | 0 | 0 | 112.1 | G326 W351 T572 R573 M580 P700 | Y324-G326 PolarHBondContact O-N 3.06Å; Y324-W351 HydrophobicContact CD2-CZ2 4.19Å; Y324-W351 AromaticContact CD2-NE1 3.52Å; Y324-W351 AromaticContact CE2-CE2 3.89Å; Y324-W351 AromaticContact CE2-CZ2 3.59Å; Y324-W351 HydrophobicContact CE2-CZ2 3.59Å; Y324-W351 AromaticContact CE2-NE1 3.84Å; Y324-T572 HydrophobicContact CE1-CG2 3.86Å; Y324-T572 PolarHBondContact OH-O 3.48Å; Y324-T572 PolarHBondContact OH-OG1 3.03Å; Y324-R573 HydrophobicContact CD1-CB 4.35Å; Y324-R573 HydrophobicContact CE1-CB 3.64Å; Y324-R573 HydrophobicContact CE1-CG 4.39Å; Y324-M580 HydrophobicContact CD1-SD 3.86Å; Y324-M580 HydrophobicContact CE1-SD 3.84Å; Y324-M580 WeakPolarHBondContact O-CE 3.48Å; Y324-P700 HydrophobicContact CD1-CB 4Å; Y324-P700 HydrophobicContact CD2-CB 3.26Å; Y324-P700 HydrophobicContact CD2-CG 4.41Å; Y324-P700 HydrophobicContact CE1-CB 4.27Å; Y324-P700 HydrophobicContact CE2-CB 3.53Å; Y324-P700 HydrophobicContact CG-CB 3.5Å; Y324-P700 HydrophobicContact CG-CG 4.34Å |
| 325 | D | 95.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 5.3 | -178.2 | -59.2 | -57.8 | 0 | 0 | 0 | 114.1 | I282 I283 T323 R573 | I282-D325 HydrophobicContact CG2-CB 3.64Å; I283-D325 PolarHBondContact N-OD2 3.41Å; T323-D325 PolarHBondContact O-N 3.49Å; D325-R573 IonicContact OD1-CZ 3.55Å; D325-R573 IonicContact OD1-NH1 3.72Å; D325-R573 PolarHBondContact OD1-NH1 3.3Å; D325-R573 IonicContact OD2-CZ 2.74Å; D325-R573 IonicContact OD2-NH1 3.52Å; D325-R573 PolarHBondContact OD2-NH1 3.31Å |
| 326 | G | 96.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | trans | 84.7 | 24.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T323 Y324 C328 D533 | T323-G326 PolarHBondContact O-N 3.29Å; Y324-G326 PolarHBondContact O-N 3.06Å; G326-C328 PolarHBondContact O-N 2.97Å; G326-D533 WeakPolarHBondContact O-CB 3.47Å; G326-D533 PolarHBondContact O-N 3.4Å | ||
| 327 | V | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 108.5 | 169.1 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | I283 P285 C322 T323 W480 M513 F522 | I283-V327 WeakPolarHBondContact O-CG2 3.46Å; P285-V327 HydrophobicContact CB-CG1 4.41Å; P285-V327 HydrophobicContact CG-CG1 4.49Å; C322-V327 WeakPolarHBondContact CA-O 3.26Å; C322-V327 VanDerWaalsContact CB-O 3.3Å; C322-V327 WeakPolarHBondContact CB-O 3.3Å; T323-V327 HydrophobicContact CG2-CB 4.04Å; T323-V327 PolarHBondContact N-O 2.85Å; T323-V327 WeakPolarHBondContact OG1-CB 2.84Å; T323-V327 PolarHBondContact OG1-N 2.86Å; T323-V327 VanDerWaalsContact OG1-N 3.11Å; V327-W480 HydrophobicContact CG2-CH2 4.29Å; V327-M513 HydrophobicContact CG1-CE 4.11Å; V327-M513 HydrophobicContact CG2-CE 3.98Å; V327-F522 HydrophobicContact CG2-CE2 4.38Å |
| 328 | C | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 129.5 | 179 | -50.7 | 0 | 0 | 0 | 0 | 109.4 | C322 G326 Y352 H364 S530 M531 | C322-C328 HydrophobicContact CB-CB 4.21Å; C322-C328 VanDerWaalsContact CB-SG 3.57Å; G326-C328 PolarHBondContact O-N 2.97Å; C328-Y352 HydrophobicContact CB-CE1 4.46Å; C328-Y352 WeakPolarHBondContact SG-CE2 3.38Å; C328-Y352 PolarHBondContact SG-OH 3.38Å; C328-H364 HydrophobicContact CB-CB 4.29Å; C328-S530 CarbonylContact O-C 3.57Å; C328-S530 WeakPolarHBondContact O-CA 3.38Å; C328-S530 WeakPolarHBondContact O-CB 3.36Å; C328-M531 HydrophobicContact CB-CG 3.74Å; C328-M531 PolarHBondContact N-O 3.36Å; C328-M531 PolarHBondContact O-N 2.9Å |
| 329 | Y | 96.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 151.3 | 172.9 | -66.8 | -93.5 | 0 | 0 | 0 | 110.1 | P285 I286 M291 V319 T320 N321 T323 A331 H364 W529 | P285-Y329 WeakPolarHBondContact CA-OH 3.13Å; P285-Y329 HydrophobicContact CB-CD1 4.02Å; P285-Y329 HydrophobicContact CB-CE1 3.48Å; P285-Y329 VanDerWaalsContact CB-CE1 3.48Å; I286-Y329 HydrophobicContact CB-CE1 4.09Å; I286-Y329 WeakPolarHBondContact CG1-OH 3.27Å; I286-Y329 PolarHBondContact N-OH 2.85Å; M291-Y329 HydrophobicContact CE-CE1 4.24Å; V319-Y329 HydrophobicContact CG1-CD2 4.2Å; V319-Y329 HydrophobicContact CG1-CE2 3.86Å; T320-Y329 VanDerWaalsContact O-CE2 3.23Å; T320-Y329 WeakPolarHBondContact O-CE2 3.33Å; N321-Y329 HydrophobicContact CB-CD2 4.16Å; N321-Y329 PolarHBondContact OD1-N 3.18Å; T323-Y329 HydrophobicContact CG2-CE2 4.34Å; Y329-A331 PolarHBondContact O-N 3Å; Y329-H364 CarbonylContact O-C 3.55Å; Y329-H364 WeakPolarHBondContact O-CA 3.12Å; Y329-H364 VanDerWaalsContact O-CB 3.3Å; Y329-H364 WeakPolarHBondContact O-CB 3.37Å; Y329-H364 PolarHBondContact O-CD2 3.21Å; Y329-H364 VanDerWaalsContact O-O 3.14Å; Y329-W529 HydrophobicContact CD1-CZ2 4.21Å |
| 330 | N | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.011 | 11% | 0.107 | C | C | . | . | trans | -66.9 | 89.1 | 153.3 | -176.3 | -32.1 | 0 | 0 | 0 | 108.1 | K332 E333 A334 H364 N528 W529 | N330-K332 PolarHBondContact O-N 2.86Å; N330-K332 PolarHBondContact OD1-N 2.85Å; N330-E333 HydrophobicContact CB-CB 4.35Å; N330-E333 VanDerWaalsContact ND2-CD 3.31Å; N330-E333 PolarHBondContact ND2-OE1 3.49Å; N330-E333 PolarHBondContact O-N 3.11Å; N330-E333 PolarHBondContact OD1-N 3.25Å; N330-A334 PolarHBondContact O-N 2.91Å; N330-H364 PolarHBondContact N-CD2 2.91Å; N330-N528 WeakPolarHBondContact CB-O 3.43Å; N330-N528 PolarHBondContact ND2-ND2 3.22Å; N330-N528 VanDerWaalsContact ND2-ND2 3.14Å; N330-N528 PolarHBondContact ND2-O 3.2Å; N330-W529 PolarHBondContact N-O 3.19Å | ||
| 331 | A | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -23.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y329 Q335 F347 D363 Y365 R368 | Y329-A331 PolarHBondContact O-N 3Å; A331-Q335 VanDerWaalsContact O-CB 3.23Å; A331-Q335 WeakPolarHBondContact O-CB 3.35Å; A331-Q335 PolarHBondContact O-N 3.16Å; A331-F347 HydrophobicContact CB-CE1 4.1Å; A331-F347 HydrophobicContact CB-CZ 4.42Å; A331-D363 PolarHBondContact N-O 3.43Å; A331-Y365 WeakPolarHBondContact CB-O 3.48Å; A331-R368 PolarHBondContact O-NH1 3.1Å |
| 332 | K | 97.1 | Very high | 97.2 | Very high | 92 Ų | 92 | 22.5 Ų | 22.5 | 40% | 0.4 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -66.3 | -52.8 | 171.4 | -179.4 | -177.8 | 174.4 | -174.3 | 0 | 111.2 | N330 A334 Q335 D336 D363 | N330-K332 PolarHBondContact O-N 2.86Å; N330-K332 PolarHBondContact OD1-N 2.85Å; K332-A334 PolarHBondContact O-N 2.95Å; K332-Q335 WeakPolarHBondContact O-CB 3.33Å; K332-Q335 PolarHBondContact O-N 2.86Å; K332-D336 PolarHBondContact O-N 3.13Å; K332-D363 HydrophobicContact CB-CB 4.29Å; K332-D363 PolarHBondContact N-O 3.27Å |
| 333 | E | 97.4 | Very high | 97.2 | Very high | 73 Ų | 73 | 24.7 Ų | 24.7 | 34% | 0.341 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 178.7 | -68.9 | -179.3 | -159.4 | 0 | 0 | 112.2 | N330 Q335 D336 L337 W529 | N330-E333 HydrophobicContact CB-CB 4.35Å; N330-E333 VanDerWaalsContact ND2-CD 3.31Å; N330-E333 PolarHBondContact ND2-OE1 3.49Å; N330-E333 PolarHBondContact O-N 3.11Å; N330-E333 PolarHBondContact OD1-N 3.25Å; E333-Q335 VanDerWaalsContact C-N 3.32Å; E333-Q335 PolarHBondContact O-N 3.01Å; E333-D336 PolarHBondContact O-N 3.06Å; E333-L337 WeakPolarHBondContact O-CG 3.49Å; E333-L337 PolarHBondContact O-N 3.08Å; E333-W529 HydrophobicContact CB-CE3 4.17Å; E333-W529 HydrophobicContact CB-CZ3 3.74Å |
| 334 | A | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | M291 N330 K332 L337 L338 F347 W529 | M291-A334 HydrophobicContact CE-CB 4.3Å; M291-A334 HydrophobicContact SD-CB 4.04Å; N330-A334 PolarHBondContact O-N 2.91Å; K332-A334 PolarHBondContact O-N 2.95Å; A334-L337 PolarHBondContact O-N 2.78Å; A334-L338 WeakPolarHBondContact O-CB 3.4Å; A334-L338 WeakPolarHBondContact O-CG 3.37Å; A334-L338 PolarHBondContact O-N 3.1Å; A334-F347 HydrophobicContact CB-CE1 4.32Å; A334-W529 HydrophobicContact CB-CH2 3.95Å; A334-W529 HydrophobicContact CB-CZ3 4.5Å |
| 335 | Q | 97.9 | Very high | 97.5 | Very high | 14 Ų | 14 | 25.8 Ų | 25.8 | 7% | 0.065 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 172.4 | 168 | 177.6 | -39.9 | 0 | 0 | 111.6 | A331 K332 E333 L337 L338 E339 L345 F347 P377 | A331-Q335 VanDerWaalsContact O-CB 3.23Å; A331-Q335 WeakPolarHBondContact O-CB 3.35Å; A331-Q335 PolarHBondContact O-N 3.16Å; K332-Q335 WeakPolarHBondContact O-CB 3.33Å; K332-Q335 PolarHBondContact O-N 2.86Å; E333-Q335 VanDerWaalsContact C-N 3.32Å; E333-Q335 PolarHBondContact O-N 3.01Å; Q335-L337 PolarHBondContact O-N 3.07Å; Q335-L338 PolarHBondContact O-N 3.39Å; Q335-E339 WeakPolarHBondContact O-CB 3.27Å; Q335-E339 WeakPolarHBondContact O-CG 3.45Å; Q335-E339 PolarHBondContact O-N 3.13Å; Q335-L345 HydrophobicContact CB-CD1 4.2Å; Q335-L345 HydrophobicContact CG-CD1 3.85Å; Q335-F347 HydrophobicContact CB-CE2 4.48Å; Q335-F347 HydrophobicContact CB-CZ 4.23Å; Q335-P377 HydrophobicContact CG-CG 4.32Å |
| 336 | D | 97.4 | Very high | 97.7 | Very high | 69 Ų | 69 | 25.9 Ų | 25.9 | 37% | 0.369 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.4 | -30.6 | -178.9 | -69.3 | -11.2 | 0 | 0 | 0 | 112.4 | K332 E333 K340 | K332-D336 PolarHBondContact O-N 3.13Å; E333-D336 PolarHBondContact O-N 3.06Å; D336-K340 VanDerWaalsContact O-CE 3.26Å; D336-K340 WeakPolarHBondContact O-CE 3.36Å |
| 337 | L | 97.6 | Very high | 97.8 | Very high | 23 Ų | 23 | 26 Ų | 26 | 12% | 0.12 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -75.7 | -51.2 | 172.6 | -67.3 | 177.5 | 0 | 0 | 0 | 111.9 | P288 M291 E333 A334 Q335 E339 K340 W529 | P288-L337 HydrophobicContact CB-CD1 3.73Å; M291-L337 HydrophobicContact CB-CB 4.01Å; M291-L337 HydrophobicContact CB-CD1 4.22Å; E333-L337 WeakPolarHBondContact O-CG 3.49Å; E333-L337 PolarHBondContact O-N 3.08Å; A334-L337 PolarHBondContact O-N 2.78Å; Q335-L337 PolarHBondContact O-N 3.07Å; L337-E339 PolarHBondContact O-N 3.27Å; L337-K340 WeakPolarHBondContact O-CB 3.39Å; L337-K340 PolarHBondContact O-N 2.52Å; L337-W529 HydrophobicContact CD1-CH2 3.8Å; L337-W529 HydrophobicContact CD1-CZ3 4.03Å |
| 338 | L | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -72.7 | -26.9 | -173.4 | -69 | 172.5 | 0 | 0 | 0 | 113.5 | M273 M291 V319 A334 Q335 K340 T341 S342 L345 | M273-L338 HydrophobicContact SD-CD2 3.97Å; M291-L338 HydrophobicContact CB-CD2 3.91Å; M291-L338 HydrophobicContact CB-CG 4.31Å; M291-L338 HydrophobicContact CG-CD2 3.99Å; M291-L338 HydrophobicContact CG-CG 4.31Å; M291-L338 HydrophobicContact SD-CD1 4.04Å; M291-L338 HydrophobicContact SD-CD2 4.27Å; M291-L338 HydrophobicContact SD-CG 3.94Å; V319-L338 HydrophobicContact CG2-CD1 3.63Å; A334-L338 WeakPolarHBondContact O-CB 3.4Å; A334-L338 WeakPolarHBondContact O-CG 3.37Å; A334-L338 PolarHBondContact O-N 3.1Å; Q335-L338 PolarHBondContact O-N 3.39Å; L338-K340 PolarHBondContact O-N 3.02Å; L338-K340 VanDerWaalsContact O-N 3.15Å; L338-T341 WeakPolarHBondContact O-CA 3.35Å; L338-T341 WeakPolarHBondContact O-CB 3.45Å; L338-T341 PolarHBondContact O-N 3.17Å; L338-S342 PolarHBondContact O-N 3.22Å; L338-L345 HydrophobicContact CB-CD1 4.08Å; L338-L345 HydrophobicContact CB-CD2 3.73Å |
| 339 | E | 97.6 | Very high | 97.8 | Very high | 50 Ų | 50 | 26.5 Ų | 26.5 | 23% | 0.234 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -21.5 | 178.2 | 71.4 | 158.6 | -168.7 | 0 | 0 | 113.2 | Q335 L337 T341 S342 L345 P377 R404 | Q335-E339 WeakPolarHBondContact O-CB 3.27Å; Q335-E339 WeakPolarHBondContact O-CG 3.45Å; Q335-E339 PolarHBondContact O-N 3.13Å; L337-E339 PolarHBondContact O-N 3.27Å; E339-T341 PolarHBondContact O-N 3.28Å; E339-S342 WeakPolarHBondContact CA-O 3.4Å; E339-L345 HydrophobicContact CB-CD1 4.45Å; E339-P377 HydrophobicContact CB-CB 4.32Å; E339-P377 HydrophobicContact CB-CG 3.74Å; E339-P377 VanDerWaalsContact OE2-CD 3.26Å; E339-P377 WeakPolarHBondContact OE2-CD 3.33Å; E339-R404 IonicContact OE2-CZ 3.15Å; E339-R404 IonicContact OE2-NH1 2.67Å; E339-R404 IonicContact OE2-NH2 2.72Å; E339-R404 PolarHBondContact OE2-NH2 3.4Å |
| 340 | K | 97.2 | Very high | 97.9 | Very high | 121 Ų | 121 | 27 Ų | 27 | 53% | 0.526 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -24.4 | 173.5 | -59.6 | 169.9 | -174.1 | 166.1 | 0 | 111.6 | P293 D336 L337 L338 | P293-K340 HydrophobicContact CG-CB 3.63Å; P293-K340 HydrophobicContact CG-CD 4.27Å; D336-K340 VanDerWaalsContact O-CE 3.26Å; D336-K340 WeakPolarHBondContact O-CE 3.36Å; L337-K340 WeakPolarHBondContact O-CB 3.39Å; L337-K340 PolarHBondContact O-N 2.52Å; L338-K340 PolarHBondContact O-N 3.02Å; L338-K340 VanDerWaalsContact O-N 3.15Å |
| 341 | T | 97.1 | Very high | 97.8 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.043 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -41.2 | -177 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | V250 L296 K313 P314 L338 E339 | V250-T341 HydrophobicContact CG2-CG2 4.33Å; L296-T341 HydrophobicContact CD1-CG2 3.8Å; K313-T341 VanDerWaalsContact CE-O 3.22Å; K313-T341 WeakPolarHBondContact CE-O 3.31Å; K313-T341 WeakPolarHBondContact CG-O 3.02Å; P314-T341 HydrophobicContact CB-CG2 4.21Å; P314-T341 HydrophobicContact CG-CG2 3.62Å; L338-T341 WeakPolarHBondContact O-CA 3.35Å; L338-T341 WeakPolarHBondContact O-CB 3.45Å; L338-T341 PolarHBondContact O-N 3.17Å; E339-T341 PolarHBondContact O-N 3.28Å |
| 342 | S | 97.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | trans | -141.5 | 148.6 | -178.5 | -162.9 | 0 | 0 | 0 | 0 | 113 | P314 S315 Y316 C317 L338 E339 R344 | P314-S342 WeakPolarHBondContact O-CB 3.47Å; P314-S342 PolarHBondContact O-OG 3.33Å; S315-S342 VanDerWaalsContact C-OG 3.32Å; S315-S342 PolarHBondContact O-OG 2.82Å; Y316-S342 PolarHBondContact N-OG 2.97Å; C317-S342 WeakPolarHBondContact SG-CB 3.4Å; L338-S342 PolarHBondContact O-N 3.22Å; E339-S342 WeakPolarHBondContact CA-O 3.4Å; S342-R344 VanDerWaalsContact C-N 3.29Å; S342-R344 PolarHBondContact OG-N 3.39Å | ||
| 343 | D | 97.7 | Very high | 97.7 | Very high | 46 Ų | 46 | 25 Ų | 25 | 25% | 0.246 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -87.5 | 1.8 | 173.7 | -61 | -46.9 | 0 | 0 | 0 | 112.4 | K313 P377 T378 R404 | K313-D343 IonicContact NZ-OD1 3.14Å; K313-D343 PolarHBondContact NZ-OD1 3.14Å; K313-D343 IonicContact NZ-OD2 3.42Å; K313-D343 PolarHBondContact NZ-OD2 2.96Å; D343-P377 WeakPolarHBondContact O-CB 3.48Å; D343-T378 PolarHBondContact O-N 2.99Å; D343-R404 HydrophobicContact CB-CB 4.17Å; D343-R404 IonicContact OD1-NE 2.72Å; D343-R404 PolarHBondContact OD1-NE 3.13Å |
| 344 | R | 98.4 | Very high | 97.7 | Very high | 40 Ų | 40 | 21.8 Ų | 21.8 | 15% | 0.151 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 106.8 | 178.8 | -67.1 | 178.2 | -178.7 | 150 | 4.6 | 110 | C242 Y316 C317 S342 T378 F380 G405 | C242-R344 PolarHBondContact O-NH1 3.33Å; Y316-R344 WeakPolarHBondContact CA-O 3.49Å; C317-R344 PolarHBondContact N-O 3.02Å; S342-R344 VanDerWaalsContact C-N 3.29Å; S342-R344 PolarHBondContact OG-N 3.39Å; R344-T378 WeakPolarHBondContact CA-O 3.45Å; R344-F380 HydrophobicContact CB-CE2 4.33Å; R344-F380 HydrophobicContact CG-CE2 4.49Å; R344-G405 PolarHBondContact NE-O 3.2Å; R344-G405 PolarHBondContact NH2-O 3.04Å |
| 345 | L | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.9 | -178.4 | -52.3 | -173.4 | 0 | 0 | 0 | 109.4 | C317 Q335 L338 E339 F347 P377 T378 V379 F380 | C317-L345 HydrophobicContact CB-CD2 3.82Å; C317-L345 CarbonylContact O-C 3.54Å; C317-L345 WeakPolarHBondContact O-CA 3.24Å; Q335-L345 HydrophobicContact CB-CD1 4.2Å; Q335-L345 HydrophobicContact CG-CD1 3.85Å; L338-L345 HydrophobicContact CB-CD1 4.08Å; L338-L345 HydrophobicContact CB-CD2 3.73Å; E339-L345 HydrophobicContact CB-CD1 4.45Å; L345-F347 HydrophobicContact CB-CE2 4.48Å; L345-P377 HydrophobicContact CD1-CB 4.41Å; L345-P377 HydrophobicContact CD1-CG 3.58Å; L345-P377 HydrophobicContact CG-CB 4.24Å; L345-P377 HydrophobicContact CG-CG 3.91Å; L345-T378 PolarHBondContact N-O 3.11Å; L345-V379 CarbonylContact O-C 3.56Å; L345-V379 VanDerWaalsContact O-CA 3.31Å; L345-V379 WeakPolarHBondContact O-CA 3.1Å; L345-F380 WeakPolarHBondContact O-CD2 3.45Å; L345-F380 PolarHBondContact O-N 2.99Å |
| 346 | H | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 117.7 | 176.5 | 176 | -168.6 | 0 | 0 | 0 | 109.4 | N235 Y316 C317 V318 V319 F380 T382 | N235-H346 PolarHBondContact OD1-CE1 2.98Å; N235-H346 PolarHBondContact OD1-NE2 2.94Å; Y316-H346 HydrophobicContact CE2-CB 3.47Å; Y316-H346 VanDerWaalsContact CE2-CB 3.47Å; Y316-H346 AromaticContact CE2-ND1 3.91Å; Y316-H346 AromaticContact CZ-ND1 3.64Å; Y316-H346 PolarHBondContact OH-ND1 3.05Å; C317-H346 PolarHBondContact O-N 3.19Å; V318-H346 CarbonylContact C-O 3.57Å; V318-H346 VanDerWaalsContact CA-O 3.23Å; V318-H346 WeakPolarHBondContact CA-O 3.41Å; V318-H346 HydrophobicContact CB-CB 4.26Å; V318-H346 HydrophobicContact CG2-CB 4.15Å; V318-H346 WeakPolarHBondContact CG2-O 3.26Å; V319-H346 PolarHBondContact N-O 2.79Å; H346-F380 WeakPolarHBondContact CA-O 3.09Å; H346-F380 HydrophobicContact CB-CB 4.08Å; H346-T382 WeakPolarHBondContact NE2-CG2 3.38Å; H346-T382 PolarHBondContact NE2-OG1 3.14Å |
| 347 | F | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 1% | 0.013 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 110.7 | 167.3 | -66.7 | -89.7 | 0 | 0 | 0 | 108.3 | V319 N321 A331 A334 Q335 L345 E349 A366 V379 F380 A381 T382 | V319-F347 HydrophobicContact CB-CD1 4.45Å; V319-F347 CarbonylContact O-C 3.47Å; V319-F347 WeakPolarHBondContact O-CA 3.49Å; N321-F347 HydrophobicContact CB-CD1 3.99Å; A331-F347 HydrophobicContact CB-CE1 4.1Å; A331-F347 HydrophobicContact CB-CZ 4.42Å; A334-F347 HydrophobicContact CB-CE1 4.32Å; Q335-F347 HydrophobicContact CB-CE2 4.48Å; Q335-F347 HydrophobicContact CB-CZ 4.23Å; L345-F347 HydrophobicContact CB-CE2 4.48Å; F347-E349 VanDerWaalsContact C-N 3.34Å; F347-E349 HydrophobicContact CB-CG 3.77Å; F347-E349 PolarHBondContact O-N 3.32Å; F347-A366 HydrophobicContact CB-CB 3.74Å; F347-A366 HydrophobicContact CD2-CB 3.64Å; F347-A366 HydrophobicContact CE2-CB 4.47Å; F347-A366 HydrophobicContact CG-CB 3.82Å; F347-V379 HydrophobicContact CD2-CG1 3.7Å; F347-V379 HydrophobicContact CE2-CG1 3.92Å; F347-F380 PolarHBondContact N-O 3.06Å; F347-A381 WeakPolarHBondContact O-CA 3.28Å; F347-T382 PolarHBondContact O-N 3.33Å |
| 348 | D | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 4% | 0.037 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 93 | 171.5 | -170.3 | -1.8 | 0 | 0 | 0 | 109 | N235 V319 N321 A350 T382 | N235-D348 PolarHBondContact ND2-OD2 2.68Å; V319-D348 PolarHBondContact O-N 3.23Å; N321-D348 PolarHBondContact N-O 3.25Å; D348-A350 VanDerWaalsContact C-N 3.32Å; D348-A350 WeakPolarHBondContact OD1-CB 3.44Å; D348-A350 PolarHBondContact OD1-N 2.94Å; D348-T382 WeakPolarHBondContact CA-OG1 3.41Å; D348-T382 PolarHBondContact OD1-OG1 2.75Å |
| 349 | E | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | trans | -98.1 | 33.7 | -176 | -57.8 | -162.2 | 144.8 | 0 | 0 | 112.7 | N321 F347 W351 Y352 Y365 A366 A381 T382 H383 | N321-E349 HydrophobicContact CB-CG 4.39Å; N321-E349 PolarHBondContact ND2-OE1 3.16Å; N321-E349 VanDerWaalsContact ND2-OE1 3.13Å; N321-E349 WeakPolarHBondContact O-CA 3.45Å; N321-E349 WeakPolarHBondContact O-CB 3.16Å; N321-E349 VanDerWaalsContact O-CG 3.25Å; N321-E349 WeakPolarHBondContact O-CG 3.3Å; F347-E349 VanDerWaalsContact C-N 3.34Å; F347-E349 HydrophobicContact CB-CG 3.77Å; F347-E349 PolarHBondContact O-N 3.32Å; E349-W351 PolarHBondContact O-N 3.24Å; E349-Y352 PolarHBondContact O-N 2.9Å; E349-Y365 VanDerWaalsContact OE1-CA 3.29Å; E349-Y365 WeakPolarHBondContact OE1-CA 3.29Å; E349-A366 WeakPolarHBondContact OE1-CB 3.47Å; E349-A366 PolarHBondContact OE1-N 3.25Å; E349-A381 HydrophobicContact CG-CB 4.48Å; E349-T382 CarbonylContact C-O 3.54Å; E349-T382 VanDerWaalsContact CA-O 3.24Å; E349-T382 WeakPolarHBondContact CA-O 3.42Å; E349-T382 PolarHBondContact N-O 3.44Å; E349-H383 VanDerWaalsContact CB-CD2 3.46Å; E349-H383 WeakPolarHBondContact CB-CD2 3.45Å; E349-H383 PolarHBondContact O-CD2 3.09Å; E349-H383 IonicContact OE2-CD2 2.81Å; E349-H383 IonicContact OE2-CE1 3.66Å; E349-H383 IonicContact OE2-NE2 3.62Å; E349-H383 PolarHBondContact OE2-NE2 3.19Å | ||
| 350 | A | 97.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 22.4 Ų | 22.4 | 8% | 0.083 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -36.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T231 D348 T382 S384 | T231-A350 HydrophobicContact CG2-CB 4.18Å; D348-A350 VanDerWaalsContact C-N 3.32Å; D348-A350 WeakPolarHBondContact OD1-CB 3.44Å; D348-A350 PolarHBondContact OD1-N 2.94Å; A350-T382 PolarHBondContact N-O 2.93Å; A350-S384 WeakPolarHBondContact CB-OG 3.37Å; A350-S384 VanDerWaalsContact O-CB 3.3Å; A350-S384 WeakPolarHBondContact O-CB 3.46Å; A350-S384 PolarHBondContact O-N 3.32Å |
| 351 | W | 96.3 | Very high | 97.7 | Very high | 46 Ų | 46 | 16.7 Ų | 16.7 | 17% | 0.174 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 12.2 | 179.4 | -68.4 | 114 | 0 | 0 | 0 | 114 | Y324 E349 Y354 K387 L388 K536 L582 | Y324-W351 HydrophobicContact CD2-CZ2 4.19Å; Y324-W351 AromaticContact CD2-NE1 3.52Å; Y324-W351 AromaticContact CE2-CE2 3.89Å; Y324-W351 AromaticContact CE2-CZ2 3.59Å; Y324-W351 HydrophobicContact CE2-CZ2 3.59Å; Y324-W351 AromaticContact CE2-NE1 3.84Å; E349-W351 PolarHBondContact O-N 3.24Å; W351-Y354 VanDerWaalsContact O-CE1 3.28Å; W351-Y354 WeakPolarHBondContact O-CE1 3.49Å; W351-Y354 PolarHBondContact O-OH 2.79Å; W351-Y354 VanDerWaalsContact O-OH 3.14Å; W351-K387 HydrophobicContact CD2-CD 3.77Å; W351-K387 HydrophobicContact CE3-CB 3.87Å; W351-K387 HydrophobicContact CE3-CD 3.68Å; W351-K387 HydrophobicContact CE3-CG 4.28Å; W351-K387 HydrophobicContact CH2-CD 3.78Å; W351-K387 HydrophobicContact CH2-CG 4.29Å; W351-K387 HydrophobicContact CZ2-CD 3.84Å; W351-K387 HydrophobicContact CZ3-CB 3.78Å; W351-K387 HydrophobicContact CZ3-CD 3.68Å; W351-K387 HydrophobicContact CZ3-CG 4Å; W351-L388 HydrophobicContact CB-CD1 4.39Å; W351-L388 HydrophobicContact CE3-CD1 3.7Å; W351-L388 HydrophobicContact CE3-CG 4.07Å; W351-L388 HydrophobicContact CZ3-CD1 4.44Å; W351-L388 HydrophobicContact CZ3-CG 4.45Å; W351-L388 VanDerWaalsContact O-CD1 3.26Å; W351-L388 WeakPolarHBondContact O-CD1 3.48Å; W351-K536 PolarHBondContact O-NZ 2.82Å; W351-L582 HydrophobicContact CE3-CD1 4.18Å; W351-L582 HydrophobicContact CH2-CD1 3.76Å; W351-L582 HydrophobicContact CZ3-CD1 3.4Å; W351-L582 VanDerWaalsContact CZ3-CD1 3.4Å |
| 352 | Y | 96.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | trans | -139.5 | 18.8 | -164.4 | -152.9 | -132.9 | 0 | 0 | 0 | 114.4 | N321 C322 C328 E349 Y354 A355 Y361 H364 | N321-Y352 WeakPolarHBondContact O-CB 3.4Å; C322-Y352 HydrophobicContact CB-CD2 4.41Å; C322-Y352 HydrophobicContact CB-CG 4.48Å; C328-Y352 HydrophobicContact CB-CE1 4.46Å; C328-Y352 WeakPolarHBondContact SG-CE2 3.38Å; C328-Y352 PolarHBondContact SG-OH 3.38Å; E349-Y352 PolarHBondContact O-N 2.9Å; Y352-Y354 AromaticContact CD2-CE2 3.89Å; Y352-Y354 HydrophobicContact CD2-CE2 3.89Å; Y352-Y354 AromaticContact CD2-CZ 3.84Å; Y352-Y354 HydrophobicContact CE2-CE2 4.04Å; Y352-Y354 PolarHBondContact O-N 2.78Å; Y352-A355 HydrophobicContact CD1-CB 3.59Å; Y352-A355 HydrophobicContact CD2-CB 3.98Å; Y352-A355 HydrophobicContact CE1-CB 3.33Å; Y352-A355 HydrophobicContact CE2-CB 3.74Å; Y352-A355 HydrophobicContact CG-CB 3.9Å; Y352-A355 VanDerWaalsContact CZ-CB 3.42Å; Y352-A355 WeakPolarHBondContact O-CB 3.5Å; Y352-A355 PolarHBondContact O-N 3.05Å; Y352-A355 VanDerWaalsContact O-N 3.13Å; Y352-Y361 AromaticContact CE2-CD1 3.99Å; Y352-Y361 HydrophobicContact CE2-CD1 3.99Å; Y352-Y361 HydrophobicContact CE2-CE1 4.1Å; Y352-Y361 HydrophobicContact CE2-CG 4.44Å; Y352-Y361 AromaticContact CZ-CD1 3.87Å; Y352-Y361 WeakPolarHBondContact OH-CD1 3.46Å; Y352-H364 VanDerWaalsContact CE1-O 3.26Å; Y352-H364 WeakPolarHBondContact CE1-O 3.5Å | ||
| 353 | G | 96.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 7% | 0.072 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -10.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | F219 F357 | F219-G353 WeakPolarHBondContact CE1-O 3.39Å; G353-F357 WeakPolarHBondContact O-CE2 3.37Å |
| 354 | Y | 97.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 2% | 0.02 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -11.9 | 177.3 | 49.6 | -91.8 | 0 | 0 | 0 | 114 | W351 Y352 R356 F357 Y361 L388 D533 I535 K536 | W351-Y354 VanDerWaalsContact O-CE1 3.28Å; W351-Y354 WeakPolarHBondContact O-CE1 3.49Å; W351-Y354 PolarHBondContact O-OH 2.79Å; W351-Y354 VanDerWaalsContact O-OH 3.14Å; Y352-Y354 AromaticContact CD2-CE2 3.89Å; Y352-Y354 HydrophobicContact CD2-CE2 3.89Å; Y352-Y354 AromaticContact CD2-CZ 3.84Å; Y352-Y354 HydrophobicContact CE2-CE2 4.04Å; Y352-Y354 PolarHBondContact O-N 2.78Å; Y354-R356 VanDerWaalsContact C-N 3.28Å; Y354-R356 PolarHBondContact O-N 2.84Å; Y354-F357 VanDerWaalsContact O-CD2 3.31Å; Y354-F357 WeakPolarHBondContact O-CD2 3.33Å; Y354-F357 PolarHBondContact O-N 2.82Å; Y354-Y361 AromaticContact CD2-CE2 3.98Å; Y354-Y361 HydrophobicContact CD2-CE2 3.98Å; Y354-Y361 HydrophobicContact CE2-CE2 4.08Å; Y354-Y361 AromaticContact CE2-CZ 3.94Å; Y354-L388 HydrophobicContact CD1-CB 3.73Å; Y354-L388 HydrophobicContact CE1-CB 3.56Å; Y354-L388 HydrophobicContact CE1-CD1 3.56Å; Y354-L388 HydrophobicContact CE1-CG 4.14Å; Y354-D533 PolarHBondContact OH-OD2 2.9Å; Y354-I535 HydrophobicContact CD1-CD1 4.47Å; Y354-I535 HydrophobicContact CD2-CD1 4.3Å; Y354-I535 HydrophobicContact CE1-CD1 3.85Å; Y354-I535 HydrophobicContact CE2-CD1 3.6Å; Y354-I535 HydrophobicContact CE2-CG1 4.49Å; Y354-I535 WeakPolarHBondContact OH-CD1 3.45Å; Y354-K536 WeakPolarHBondContact OH-CE 3.28Å; Y354-K536 PolarHBondContact OH-NZ 3.1Å |
| 355 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -59.1 | -37.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y352 F357 N358 Y361 Y365 | Y352-A355 HydrophobicContact CD1-CB 3.59Å; Y352-A355 HydrophobicContact CD2-CB 3.98Å; Y352-A355 HydrophobicContact CE1-CB 3.33Å; Y352-A355 HydrophobicContact CE2-CB 3.74Å; Y352-A355 HydrophobicContact CG-CB 3.9Å; Y352-A355 VanDerWaalsContact CZ-CB 3.42Å; Y352-A355 WeakPolarHBondContact O-CB 3.5Å; Y352-A355 PolarHBondContact O-N 3.05Å; Y352-A355 VanDerWaalsContact O-N 3.13Å; A355-F357 PolarHBondContact O-N 3.37Å; A355-F357 VanDerWaalsContact O-N 3.13Å; A355-N358 PolarHBondContact O-N 2.91Å; A355-Y361 HydrophobicContact CB-CD2 4.27Å; A355-Y361 HydrophobicContact CB-CG 4.22Å; A355-Y361 WeakPolarHBondContact O-CD2 3.35Å; A355-Y365 HydrophobicContact CB-CD1 3.95Å; A355-Y365 HydrophobicContact CB-CG 3.93Å |
| 356 | R | 97.2 | Very high | 97.7 | Very high | 50 Ų | 50 | 18.9 Ų | 18.9 | 19% | 0.189 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -58.6 | -27.3 | 178.9 | 179.1 | 172.9 | 174.9 | 82.2 | 5.2 | 113.6 | V218 F219 Y354 Y365 M367 G369 E370 | V218-R356 PolarHBondContact O-NE 3.44Å; F219-R356 VanDerWaalsContact C-NE 3.32Å; F219-R356 WeakPolarHBondContact O-CD 3.45Å; F219-R356 PolarHBondContact O-NE 3.27Å; Y354-R356 VanDerWaalsContact C-N 3.28Å; Y354-R356 PolarHBondContact O-N 2.84Å; R356-Y365 HydrophobicContact CB-CD2 4.09Å; R356-Y365 HydrophobicContact CB-CE2 3.68Å; R356-Y365 HydrophobicContact CG-CE2 3.91Å; R356-M367 PolarHBondContact NH1-O 3.16Å; R356-G369 PolarHBondContact NH1-O 3.41Å; R356-G369 PolarHBondContact NH2-O 3.26Å; R356-E370 IonicContact NH2-OE1 2.77Å; R356-E370 PolarHBondContact NH2-OE1 3.05Å |
| 357 | F | 97.6 | Very high | 97.6 | Very high | 22 Ų | 22 | 19 Ų | 19 | 10% | 0.096 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -89.7 | -1.9 | -169.4 | -48 | -65.7 | 0 | 0 | 0 | 113.6 | V218 F219 G353 Y354 A355 M439 L445 T448 | V218-F357 HydrophobicContact CG1-CE1 3.76Å; V218-F357 HydrophobicContact CG1-CZ 4.11Å; F219-F357 HydrophobicContact CD1-CE2 4.35Å; F219-F357 AromaticContact CD1-CZ 3.89Å; F219-F357 HydrophobicContact CD1-CZ 3.89Å; F219-F357 HydrophobicContact CD2-CZ 4.27Å; F219-F357 AromaticContact CE1-CE2 3.77Å; F219-F357 HydrophobicContact CE1-CE2 3.77Å; F219-F357 AromaticContact CE1-CZ 3.64Å; F219-F357 HydrophobicContact CE1-CZ 3.64Å; F219-F357 HydrophobicContact CE2-CZ 4.01Å; F219-F357 HydrophobicContact CG-CZ 4.21Å; F219-F357 AromaticContact CZ-CE2 3.95Å; F219-F357 HydrophobicContact CZ-CE2 3.95Å; F219-F357 AromaticContact CZ-CZ 3.7Å; F219-F357 HydrophobicContact CZ-CZ 3.7Å; G353-F357 WeakPolarHBondContact O-CE2 3.37Å; Y354-F357 VanDerWaalsContact O-CD2 3.31Å; Y354-F357 WeakPolarHBondContact O-CD2 3.33Å; Y354-F357 PolarHBondContact O-N 2.82Å; A355-F357 PolarHBondContact O-N 3.37Å; A355-F357 VanDerWaalsContact O-N 3.13Å; F357-M439 HydrophobicContact CD1-CB 4.02Å; F357-M439 WeakPolarHBondContact CD1-O 3.45Å; F357-M439 HydrophobicContact CD2-CB 3.95Å; F357-M439 HydrophobicContact CD2-CG 3.89Å; F357-M439 HydrophobicContact CD2-SD 3.57Å; F357-M439 VanDerWaalsContact CD2-SD 3.57Å; F357-M439 HydrophobicContact CE1-CB 3.71Å; F357-M439 HydrophobicContact CE2-CB 3.64Å; F357-M439 HydrophobicContact CE2-CG 3.59Å; F357-M439 HydrophobicContact CE2-SD 3.9Å; F357-M439 HydrophobicContact CG-CB 4.16Å; F357-M439 HydrophobicContact CG-SD 4.16Å; F357-M439 HydrophobicContact CZ-CB 3.52Å; F357-M439 HydrophobicContact CZ-CG 3.98Å; F357-L445 VanDerWaalsContact O-CA 3.29Å; F357-L445 WeakPolarHBondContact O-CA 3.44Å; F357-T448 HydrophobicContact CB-CG2 4.13Å |
| 358 | N | 97.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | trans | -129.5 | 126.7 | 175.6 | -160.3 | -65.8 | 0 | 0 | 0 | 112.2 | A355 I360 Y361 T448 Q449 I452 | A355-N358 PolarHBondContact O-N 2.91Å; N358-I360 HydrophobicContact CB-CG2 4.21Å; N358-I360 PolarHBondContact O-N 3.06Å; N358-I360 WeakPolarHBondContact OD1-CB 3.11Å; N358-I360 VanDerWaalsContact OD1-CG2 3.27Å; N358-I360 WeakPolarHBondContact OD1-CG2 3.25Å; N358-I360 PolarHBondContact OD1-N 3.24Å; N358-Y361 HydrophobicContact CB-CD2 3.82Å; N358-Y361 HydrophobicContact CB-CE2 3.91Å; N358-Y361 PolarHBondContact O-N 2.9Å; N358-Y361 VanDerWaalsContact O-N 3.11Å; N358-T448 WeakPolarHBondContact CB-OG1 3.47Å; N358-T448 PolarHBondContact ND2-OG1 3.14Å; N358-Q449 PolarHBondContact ND2-OE1 2.6Å; N358-I452 HydrophobicContact CB-CD1 4.25Å; N358-I452 WeakPolarHBondContact ND2-CD1 3.44Å | ||
| 359 | P | 97 | Very high | 97.2 | Very high | 93 Ų | 93 | 22.5 Ų | 22.5 | 60% | 0.604 | 13% | 0.131 | S | C | * | . | G | 310 helix | trans | -55.7 | -23.4 | 178.1 | -27.4 | 34.6 | 0 | 0 | 0 | 115.3 | Y361 A362 L445 | P359-Y361 PolarHBondContact O-N 2.7Å; P359-Y361 VanDerWaalsContact O-N 3.13Å; P359-A362 WeakPolarHBondContact O-CB 3.27Å; P359-A362 PolarHBondContact O-N 3.13Å; P359-A362 VanDerWaalsContact O-N 3.08Å; P359-L445 HydrophobicContact CG-CD1 4.47Å |
| 360 | I | 97.4 | Very high | 97 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -60.4 | -22.5 | 178.1 | -156 | 168 | 0 | 0 | 0 | 112.9 | N358 I452 Q508 M531 P534 | N358-I360 HydrophobicContact CB-CG2 4.21Å; N358-I360 PolarHBondContact O-N 3.06Å; N358-I360 WeakPolarHBondContact OD1-CB 3.11Å; N358-I360 VanDerWaalsContact OD1-CG2 3.27Å; N358-I360 WeakPolarHBondContact OD1-CG2 3.25Å; N358-I360 PolarHBondContact OD1-N 3.24Å; I360-I452 HydrophobicContact CG2-CD1 3.86Å; I360-Q508 HydrophobicContact CG1-CB 4.36Å; I360-Q508 WeakPolarHBondContact O-CB 3.43Å; I360-Q508 VanDerWaalsContact O-CG 3.26Å; I360-Q508 WeakPolarHBondContact O-CG 3.27Å; I360-Q508 PolarHBondContact O-NE2 3.48Å; I360-M531 WeakPolarHBondContact O-CE 3.17Å; I360-P534 HydrophobicContact CD1-CG 4.11Å |
| 361 | Y | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -99 | 11.8 | 179.9 | -54.3 | -64 | 0 | 0 | 0 | 113.3 | Y352 Y354 A355 N358 P359 D363 H364 Y365 I452 M531 D533 | Y352-Y361 AromaticContact CE2-CD1 3.99Å; Y352-Y361 HydrophobicContact CE2-CD1 3.99Å; Y352-Y361 HydrophobicContact CE2-CE1 4.1Å; Y352-Y361 HydrophobicContact CE2-CG 4.44Å; Y352-Y361 AromaticContact CZ-CD1 3.87Å; Y352-Y361 WeakPolarHBondContact OH-CD1 3.46Å; Y354-Y361 AromaticContact CD2-CE2 3.98Å; Y354-Y361 HydrophobicContact CD2-CE2 3.98Å; Y354-Y361 HydrophobicContact CE2-CE2 4.08Å; Y354-Y361 AromaticContact CE2-CZ 3.94Å; A355-Y361 HydrophobicContact CB-CD2 4.27Å; A355-Y361 HydrophobicContact CB-CG 4.22Å; A355-Y361 WeakPolarHBondContact O-CD2 3.35Å; N358-Y361 HydrophobicContact CB-CD2 3.82Å; N358-Y361 HydrophobicContact CB-CE2 3.91Å; N358-Y361 PolarHBondContact O-N 2.9Å; N358-Y361 VanDerWaalsContact O-N 3.11Å; P359-Y361 PolarHBondContact O-N 2.7Å; P359-Y361 VanDerWaalsContact O-N 3.13Å; Y361-D363 PolarHBondContact O-N 3.49Å; Y361-H364 WeakPolarHBondContact O-CB 3.4Å; Y361-H364 PolarHBondContact O-N 2.98Å; Y361-Y365 WeakPolarHBondContact O-CD1 3.34Å; Y361-Y365 WeakPolarHBondContact O-CE1 3.41Å; Y361-I452 HydrophobicContact CE2-CD1 4.14Å; Y361-M531 HydrophobicContact CD1-CE 4.03Å; Y361-M531 HydrophobicContact CD1-SD 4.26Å; Y361-M531 HydrophobicContact CE1-CE 4.35Å; Y361-D533 PolarHBondContact OH-OD1 2.85Å; Y361-D533 VanDerWaalsContact OH-OD1 3.1Å |
| 362 | A | 96.9 | Very high | 96.6 | Very high | 41 Ų | 41 | 29.6 Ų | 29.6 | 34% | 0.339 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | 136.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P359 H364 Q508 | P359-A362 WeakPolarHBondContact O-CB 3.27Å; P359-A362 PolarHBondContact O-N 3.13Å; P359-A362 VanDerWaalsContact O-N 3.08Å; A362-H364 PolarHBondContact O-N 3.39Å; A362-H364 PolarHBondContact O-ND1 3.05Å; A362-Q508 PolarHBondContact O-NE2 3.44Å |
| 363 | D | 97.3 | Very high | 96.4 | Very high | 65 Ų | 65 | 36 Ų | 36 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | -5.7 | -174.9 | -67.8 | -31 | 0 | 0 | 0 | 117.6 | A331 K332 Y361 | A331-D363 PolarHBondContact N-O 3.43Å; K332-D363 HydrophobicContact CB-CB 4.29Å; K332-D363 PolarHBondContact N-O 3.27Å; Y361-D363 PolarHBondContact O-N 3.49Å |
| 364 | H | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -100.8 | 3.4 | -172.2 | -70.9 | 74 | 0 | 0 | 0 | 116 | N321 C328 Y329 N330 Y352 Y361 A362 Q508 M531 | N321-H364 PolarHBondContact ND2-O 2.94Å; C328-H364 HydrophobicContact CB-CB 4.29Å; Y329-H364 CarbonylContact O-C 3.55Å; Y329-H364 WeakPolarHBondContact O-CA 3.12Å; Y329-H364 VanDerWaalsContact O-CB 3.3Å; Y329-H364 WeakPolarHBondContact O-CB 3.37Å; Y329-H364 PolarHBondContact O-CD2 3.21Å; Y329-H364 VanDerWaalsContact O-O 3.14Å; N330-H364 PolarHBondContact N-CD2 2.91Å; Y352-H364 VanDerWaalsContact CE1-O 3.26Å; Y352-H364 WeakPolarHBondContact CE1-O 3.5Å; Y361-H364 WeakPolarHBondContact O-CB 3.4Å; Y361-H364 PolarHBondContact O-N 2.98Å; A362-H364 PolarHBondContact O-N 3.39Å; A362-H364 PolarHBondContact O-ND1 3.05Å; H364-Q508 PolarHBondContact ND1-NE2 3.27Å; H364-M531 HydrophobicContact CB-SD 4.07Å; H364-M531 VanDerWaalsContact CD2-CG 3.46Å; H364-M531 WeakPolarHBondContact CD2-CG 3.46Å |
| 365 | Y | 98.2 | Very high | 96 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -126.3 | 166.6 | 176.7 | 57.7 | -84.4 | 0 | 0 | 0 | 111.2 | A331 E349 A355 R356 Y361 M367 R368 | A331-Y365 WeakPolarHBondContact CB-O 3.48Å; E349-Y365 VanDerWaalsContact OE1-CA 3.29Å; E349-Y365 WeakPolarHBondContact OE1-CA 3.29Å; A355-Y365 HydrophobicContact CB-CD1 3.95Å; A355-Y365 HydrophobicContact CB-CG 3.93Å; R356-Y365 HydrophobicContact CB-CD2 4.09Å; R356-Y365 HydrophobicContact CB-CE2 3.68Å; R356-Y365 HydrophobicContact CG-CE2 3.91Å; Y361-Y365 WeakPolarHBondContact O-CD1 3.34Å; Y361-Y365 WeakPolarHBondContact O-CE1 3.41Å; Y365-M367 VanDerWaalsContact CE2-O 3.29Å; Y365-M367 WeakPolarHBondContact CE2-O 3.45Å; Y365-R368 HydrophobicContact CD2-CG 4.06Å; Y365-R368 HydrophobicContact CE2-CB 4.36Å; Y365-R368 HydrophobicContact CE2-CG 3.92Å; Y365-R368 HydrophobicContact CG-CG 4.47Å; Y365-R368 WeakPolarHBondContact O-CD 3.19Å; Y365-R368 WeakPolarHBondContact O-CG 3.47Å; Y365-R368 PolarHBondContact O-NH1 3.01Å |
| 366 | A | 98 | Very high | 95.9 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -77 | -49.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F347 E349 R368 V379 A381 | F347-A366 HydrophobicContact CB-CB 3.74Å; F347-A366 HydrophobicContact CD2-CB 3.64Å; F347-A366 HydrophobicContact CE2-CB 4.47Å; F347-A366 HydrophobicContact CG-CB 3.82Å; E349-A366 WeakPolarHBondContact OE1-CB 3.47Å; E349-A366 PolarHBondContact OE1-N 3.25Å; A366-R368 PolarHBondContact O-N 3.13Å; A366-R368 PolarHBondContact O-NH1 3.43Å; A366-V379 HydrophobicContact CB-CG1 4.14Å; A366-A381 HydrophobicContact CB-CB 3.87Å |
| 367 | M | 97.7 | Very high | 96 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -81.7 | 58.6 | -175.1 | -64.8 | -63.3 | 127.7 | 0 | 0 | 112.7 | F219 A221 R356 Y365 V379 A381 H399 R401 | F219-M367 VanDerWaalsContact O-CB 3.24Å; F219-M367 WeakPolarHBondContact O-CB 3.3Å; A221-M367 HydrophobicContact CB-SD 3.92Å; R356-M367 PolarHBondContact NH1-O 3.16Å; Y365-M367 VanDerWaalsContact CE2-O 3.29Å; Y365-M367 WeakPolarHBondContact CE2-O 3.45Å; M367-V379 HydrophobicContact CE-CB 4.31Å; M367-V379 HydrophobicContact CE-CG1 4.03Å; M367-V379 WeakPolarHBondContact CE-O 3.41Å; M367-A381 HydrophobicContact CE-CB 3.77Å; M367-A381 HydrophobicContact CG-CB 4.03Å; M367-H399 HydrophobicContact CE-CB 4.36Å; M367-H399 HydrophobicContact CG-CB 3.89Å; M367-H399 HydrophobicContact SD-CB 4.05Å; M367-R401 HydrophobicContact CE-CB 4.1Å; M367-R401 HydrophobicContact SD-CB 4.05Å |
| 368 | R | 95.6 | Very high | 96 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | trans | -78.1 | 152.6 | -178.9 | -56.3 | 173.8 | -61.1 | -81.6 | -2.8 | 111.7 | A331 Y365 A366 R401 | A331-R368 PolarHBondContact O-NH1 3.1Å; Y365-R368 HydrophobicContact CD2-CG 4.06Å; Y365-R368 HydrophobicContact CE2-CB 4.36Å; Y365-R368 HydrophobicContact CE2-CG 3.92Å; Y365-R368 HydrophobicContact CG-CG 4.47Å; Y365-R368 WeakPolarHBondContact O-CD 3.19Å; Y365-R368 WeakPolarHBondContact O-CG 3.47Å; Y365-R368 PolarHBondContact O-NH1 3.01Å; A366-R368 PolarHBondContact O-N 3.13Å; A366-R368 PolarHBondContact O-NH1 3.43Å; R368-R401 PolarHBondContact O-NH2 3.47Å | ||
| 369 | G | 93.3 | Very high | 96.1 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 57.1 | -158.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R356 R401 | R356-G369 PolarHBondContact NH1-O 3.41Å; R356-G369 PolarHBondContact NH2-O 3.26Å; G369-R401 PolarHBondContact O-NH2 3.29Å |
| 370 | E | 94.7 | Very high | 96.2 | Very high | 99 Ų | 99 | 36.7 Ų | 36.7 | 46% | 0.463 | 22% | 0.223 | S | C | . | . | trans | -100.9 | 150 | 176.4 | -65.9 | -53.2 | 122.4 | 0 | 0 | 111.6 | R356 G372 D373 | R356-E370 IonicContact NH2-OE1 2.77Å; R356-E370 PolarHBondContact NH2-OE1 3.05Å; E370-G372 VanDerWaalsContact C-N 3.27Å; E370-G372 PolarHBondContact O-N 3.34Å; E370-D373 PolarHBondContact O-N 3.07Å | ||
| 371 | P | 93.7 | Very high | 96.2 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 21% | 0.208 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -54.2 | -38.7 | -179 | -15.1 | 18.4 | 0 | 0 | 0 | 115.3 | D222 D373 H374 | D222-P371 WeakPolarHBondContact OD1-CB 3.45Å; P371-D373 PolarHBondContact O-N 3.22Å; P371-D373 VanDerWaalsContact O-N 3.16Å; P371-H374 PolarHBondContact O-N 3.38Å |
| 372 | G | 91.5 | Very high | 96.3 | Very high | 77 Ų | 77 | 36.6 Ų | 36.6 | 79% | 0.794 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -64.7 | -18.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | E370 | E370-G372 VanDerWaalsContact C-N 3.27Å; E370-G372 PolarHBondContact O-N 3.34Å |
| 373 | D | 92.3 | Very high | 96.4 | Very high | 134 Ų | 134 | 35 Ų | 35 | 72% | 0.717 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -91.7 | -4.1 | -177.1 | -61.2 | -35.3 | 0 | 0 | 0 | 113 | E370 P371 | E370-D373 PolarHBondContact O-N 3.07Å; P371-D373 PolarHBondContact O-N 3.22Å; P371-D373 VanDerWaalsContact O-N 3.16Å |
| 374 | H | 94.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 32.1 Ų | 32.1 | 21% | 0.213 | 19% | 0.194 | C | C | . | . | trans | -89.9 | 126.5 | -173.6 | -176.3 | 79.6 | 0 | 0 | 0 | 113.1 | P371 G376 P377 R401 E402 | P371-H374 PolarHBondContact O-N 3.38Å; H374-G376 PolarHBondContact NE2-N 2.78Å; H374-P377 PolarHBondContact CE1-O 3.41Å; H374-P377 PolarHBondContact NE2-O 2.97Å; H374-R401 HydrophobicContact CB-CG 3.9Å; H374-R401 WeakPolarHBondContact CD2-CG 3.33Å; H374-R401 VanDerWaalsContact CG-CG 3.41Å; H374-E402 PolarHBondContact CD2-O 3.08Å; H374-E402 VanDerWaalsContact CD2-O 3.28Å | ||
| 375 | N | 92.1 | Very high | 96.4 | Very high | 146 Ų | 146 | 32.2 Ų | 32.2 | 78% | 0.781 | 19% | 0.194 | S | C | * | . | trans | -124.5 | 10.5 | 177 | 64.2 | 5 | 0 | 0 | 0 | 113.6 | R404 | N375-R404 PolarHBondContact O-NH1 3.13Š| ||
| 376 | G | 96.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -86.1 | -156.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | H374 G403 R404 | H374-G376 PolarHBondContact NE2-N 2.78Å; G376-G403 WeakPolarHBondContact O-CA 3.35Å; G376-R404 PolarHBondContact O-N 3.47Å |
| 377 | P | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 169.7 | 171.8 | 34.6 | -39.2 | 0 | 0 | 0 | 110.8 | Q335 E339 D343 L345 H374 V379 | Q335-P377 HydrophobicContact CG-CG 4.32Å; E339-P377 HydrophobicContact CB-CB 4.32Å; E339-P377 HydrophobicContact CB-CG 3.74Å; E339-P377 VanDerWaalsContact OE2-CD 3.26Å; E339-P377 WeakPolarHBondContact OE2-CD 3.33Å; D343-P377 WeakPolarHBondContact O-CB 3.48Å; L345-P377 HydrophobicContact CD1-CB 4.41Å; L345-P377 HydrophobicContact CD1-CG 3.58Å; L345-P377 HydrophobicContact CG-CB 4.24Å; L345-P377 HydrophobicContact CG-CG 3.91Å; H374-P377 PolarHBondContact CE1-O 3.41Å; H374-P377 PolarHBondContact NE2-O 2.97Å; P377-V379 HydrophobicContact CG-CG2 4.28Å; P377-V379 PolarHBondContact O-N 2.66Å |
| 378 | T | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 127.1 | 167.7 | -59.3 | 0 | 0 | 0 | 0 | 109 | D343 R344 L345 F380 V400 R401 G403 R404 A406 | D343-T378 PolarHBondContact O-N 2.99Å; R344-T378 WeakPolarHBondContact CA-O 3.45Å; L345-T378 PolarHBondContact N-O 3.11Å; T378-F380 HydrophobicContact CG2-CD2 4.48Å; T378-F380 HydrophobicContact CG2-CE1 4.39Å; T378-F380 HydrophobicContact CG2-CE2 3.75Å; T378-F380 HydrophobicContact CG2-CZ 3.68Å; T378-V400 HydrophobicContact CG2-CG1 4Å; T378-R401 WeakPolarHBondContact CA-O 3.4Å; T378-G403 PolarHBondContact OG1-N 2.96Å; T378-R404 PolarHBondContact N-O 3.42Å; T378-R404 PolarHBondContact OG1-O 3.11Å; T378-A406 WeakPolarHBondContact OG1-CA 3.47Å; T378-A406 PolarHBondContact OG1-N 3.23Å |
| 379 | V | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.7 | -179.3 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | L345 F347 A366 M367 P377 V400 R401 | L345-V379 CarbonylContact O-C 3.56Å; L345-V379 VanDerWaalsContact O-CA 3.31Å; L345-V379 WeakPolarHBondContact O-CA 3.1Å; F347-V379 HydrophobicContact CD2-CG1 3.7Å; F347-V379 HydrophobicContact CE2-CG1 3.92Å; A366-V379 HydrophobicContact CB-CG1 4.14Å; M367-V379 HydrophobicContact CE-CB 4.31Å; M367-V379 HydrophobicContact CE-CG1 4.03Å; M367-V379 WeakPolarHBondContact CE-O 3.41Å; P377-V379 HydrophobicContact CG-CG2 4.28Å; P377-V379 PolarHBondContact O-N 2.66Å; V379-V400 WeakPolarHBondContact O-CA 3.42Å; V379-R401 HydrophobicContact CB-CB 4.21Å; V379-R401 PolarHBondContact N-O 3.24Å; V379-R401 PolarHBondContact O-N 3.48Å |
| 380 | F | 98.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.5 | 172 | -56.9 | -89.7 | 0 | 0 | 0 | 109.2 | I238 R344 L345 H346 F347 T378 H399 V400 I407 F412 | I238-F380 HydrophobicContact CD1-CB 3.91Å; I238-F380 HydrophobicContact CD1-CD1 4.31Å; I238-F380 HydrophobicContact CD1-CG 4.34Å; I238-F380 HydrophobicContact CG1-CB 4.5Å; I238-F380 HydrophobicContact CG1-CD1 4.04Å; I238-F380 HydrophobicContact CG1-CG 4.4Å; I238-F380 HydrophobicContact CG2-CB 4.27Å; I238-F380 HydrophobicContact CG2-CD1 3.99Å; I238-F380 HydrophobicContact CG2-CD2 4.01Å; I238-F380 HydrophobicContact CG2-CE1 4.4Å; I238-F380 HydrophobicContact CG2-CE2 4.39Å; I238-F380 HydrophobicContact CG2-CG 3.82Å; R344-F380 HydrophobicContact CB-CE2 4.33Å; R344-F380 HydrophobicContact CG-CE2 4.49Å; L345-F380 WeakPolarHBondContact O-CD2 3.45Å; L345-F380 PolarHBondContact O-N 2.99Å; H346-F380 WeakPolarHBondContact CA-O 3.09Å; H346-F380 HydrophobicContact CB-CB 4.08Å; F347-F380 PolarHBondContact N-O 3.06Å; T378-F380 HydrophobicContact CG2-CD2 4.48Å; T378-F380 HydrophobicContact CG2-CE1 4.39Å; T378-F380 HydrophobicContact CG2-CE2 3.75Å; T378-F380 HydrophobicContact CG2-CZ 3.68Å; F380-H399 CarbonylContact C-O 3.15Å; F380-H399 WeakPolarHBondContact CA-O 3.45Å; F380-V400 HydrophobicContact CD1-CB 4.44Å; F380-V400 HydrophobicContact CD1-CG1 4.22Å; F380-V400 HydrophobicContact CD1-CG2 3.61Å; F380-V400 HydrophobicContact CE1-CB 4.5Å; F380-V400 HydrophobicContact CE1-CG1 3.92Å; F380-V400 HydrophobicContact CE1-CG2 3.77Å; F380-I407 HydrophobicContact CZ-CD1 3.99Å; F380-F412 HydrophobicContact CD1-CE2 4.27Å; F380-F412 HydrophobicContact CE1-CD2 4.28Å; F380-F412 AromaticContact CE1-CE2 3.68Å; F380-F412 HydrophobicContact CE1-CE2 3.68Å |
| 381 | A | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 133.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | F347 E349 A366 M367 H399 | F347-A381 WeakPolarHBondContact O-CA 3.28Å; E349-A381 HydrophobicContact CG-CB 4.48Å; A366-A381 HydrophobicContact CB-CB 3.87Å; M367-A381 HydrophobicContact CE-CB 3.77Å; M367-A381 HydrophobicContact CG-CB 4.03Å; A381-H399 HydrophobicContact CB-CB 4.3Å; A381-H399 PolarHBondContact N-O 3.45Å; A381-H399 PolarHBondContact O-N 2.85Å |
| 382 | T | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.5 | 175.1 | 44.4 | 0 | 0 | 0 | 0 | 110.8 | N235 I238 H346 F347 D348 E349 A350 Y397 I398 | N235-T382 WeakPolarHBondContact OD1-CG2 3.33Å; N235-T382 PolarHBondContact OD1-OG1 3.38Å; N235-T382 VanDerWaalsContact OD1-OG1 3.08Å; I238-T382 HydrophobicContact CD1-CG2 3.26Å; H346-T382 WeakPolarHBondContact NE2-CG2 3.38Å; H346-T382 PolarHBondContact NE2-OG1 3.14Å; F347-T382 PolarHBondContact O-N 3.33Å; D348-T382 WeakPolarHBondContact CA-OG1 3.41Å; D348-T382 PolarHBondContact OD1-OG1 2.75Å; E349-T382 CarbonylContact C-O 3.54Å; E349-T382 VanDerWaalsContact CA-O 3.24Å; E349-T382 WeakPolarHBondContact CA-O 3.42Å; E349-T382 PolarHBondContact N-O 3.44Å; A350-T382 PolarHBondContact N-O 2.93Å; T382-Y397 WeakPolarHBondContact CA-O 3.49Å; T382-I398 HydrophobicContact CG2-CG1 4.37Å |
| 383 | H | 98.6 | Very high | 97 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 3% | 0.032 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127 | 179.9 | -64.6 | 165.3 | 0 | 0 | 0 | 110.1 | F219 T231 E349 T385 S396 Y397 H399 | F219-H383 AromaticContact CD1-CE1 3.76Å; F219-H383 AromaticContact CD1-ND1 3.62Å; F219-H383 AromaticContact CE1-CE1 3.95Å; F219-H383 AromaticContact CE1-ND1 3.48Å; F219-H383 WeakPolarHBondContact CE1-ND1 3.24Å; T231-H383 PolarHBondContact OG1-O 2.88Å; E349-H383 VanDerWaalsContact CB-CD2 3.46Å; E349-H383 WeakPolarHBondContact CB-CD2 3.45Å; E349-H383 PolarHBondContact O-CD2 3.09Å; E349-H383 IonicContact OE2-CD2 2.81Å; E349-H383 IonicContact OE2-CE1 3.66Å; E349-H383 IonicContact OE2-NE2 3.62Å; E349-H383 PolarHBondContact OE2-NE2 3.19Å; H383-T385 VanDerWaalsContact C-N 3.3Å; H383-T385 PolarHBondContact O-N 3.2Å; H383-T385 VanDerWaalsContact O-N 3.11Å; H383-S396 CarbonylContact O-C 3.55Å; H383-S396 WeakPolarHBondContact O-CA 3.46Å; H383-S396 PolarHBondContact O-OG 3.49Å; H383-Y397 PolarHBondContact N-O 3.21Å; H383-Y397 PolarHBondContact O-N 3.26Å; H383-H399 AromaticContact CE1-CD2 3.54Å; H383-H399 AromaticContact CE1-NE2 3.88Å; H383-H399 AromaticContact CG-CD2 3.94Å; H383-H399 AromaticContact ND1-CD2 3.29Å; H383-H399 PolarHBondContact ND1-CD2 3.13Å; H383-H399 VanDerWaalsContact ND1-CD2 3.29Å; H383-H399 AromaticContact ND1-NE2 3.24Å; H383-H399 PolarHBondContact ND1-NE2 3.05Å |
| 384 | S | 98.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | trans | -81 | 86.3 | 163.5 | -63.1 | 0 | 0 | 0 | 0 | 107.7 | T231 A350 H386 K387 | T231-S384 VanDerWaalsContact CB-OG 3.23Å; T231-S384 WeakPolarHBondContact CB-OG 3.33Å; T231-S384 WeakPolarHBondContact OG1-CA 3.3Å; T231-S384 WeakPolarHBondContact OG1-CB 3.32Å; T231-S384 PolarHBondContact OG1-N 2.94Å; T231-S384 PolarHBondContact OG1-OG 2.71Å; A350-S384 WeakPolarHBondContact CB-OG 3.37Å; A350-S384 VanDerWaalsContact O-CB 3.3Å; A350-S384 WeakPolarHBondContact O-CB 3.46Å; A350-S384 PolarHBondContact O-N 3.32Å; S384-H386 PolarHBondContact O-N 3.31Å; S384-K387 VanDerWaalsContact CB-CD 3.46Å; S384-K387 VanDerWaalsContact CB-CG 3.5Å; S384-K387 WeakPolarHBondContact O-CB 3.17Å; S384-K387 PolarHBondContact O-N 3.42Å; S384-K387 WeakPolarHBondContact OG-CE 3.39Å | ||
| 385 | T | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -50 | -39 | -179.2 | -37.2 | 0 | 0 | 0 | 0 | 111.3 | H383 K387 L389 A391 A395 S396 N432 A435 | H383-T385 VanDerWaalsContact C-N 3.3Å; H383-T385 PolarHBondContact O-N 3.2Å; H383-T385 VanDerWaalsContact O-N 3.11Å; T385-K387 VanDerWaalsContact C-N 3.26Å; T385-K387 PolarHBondContact O-N 3.26Å; T385-L389 HydrophobicContact CG2-CB 3.89Å; T385-L389 HydrophobicContact CG2-CD1 4.01Å; T385-L389 CarbonylContact O-C 3.58Å; T385-L389 VanDerWaalsContact O-CA 3.25Å; T385-L389 WeakPolarHBondContact O-CA 3.35Å; T385-L389 VanDerWaalsContact O-CB 3.24Å; T385-L389 WeakPolarHBondContact O-CB 3.2Å; T385-L389 PolarHBondContact O-N 3.28Å; T385-L389 VanDerWaalsContact O-N 3.1Å; T385-L389 VanDerWaalsContact O-O 3.04Å; T385-A391 HydrophobicContact CG2-CB 3.49Å; T385-A391 VanDerWaalsContact CG2-CB 3.49Å; T385-A395 PolarHBondContact N-O 3.34Å; T385-S396 WeakPolarHBondContact OG1-CA 3.26Å; T385-N432 VanDerWaalsContact CB-OD1 3.27Å; T385-N432 WeakPolarHBondContact CB-OD1 3.41Å; T385-N432 WeakPolarHBondContact CG2-OD1 3.37Å; T385-N432 PolarHBondContact OG1-OD1 2.97Å; T385-A435 HydrophobicContact CG2-CB 3.53Å |
| 386 | H | 97.4 | Very high | 97.7 | Very high | 59 Ų | 59 | 24.9 Ų | 24.9 | 27% | 0.273 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -70.9 | -8 | -179.6 | 71.2 | -86.3 | 0 | 0 | 0 | 116.2 | S384 A391 L392 A395 | S384-H386 PolarHBondContact O-N 3.31Å; H386-A391 WeakPolarHBondContact CA-O 3.48Å; H386-L392 WeakPolarHBondContact CB-O 3.3Å; H386-A395 HydrophobicContact CB-CB 4.49Å; H386-A395 PolarHBondContact N-O 3.26Å; H386-A395 PolarHBondContact ND1-O 2.79Å |
| 387 | K | 95.3 | Very high | 97.9 | Very high | 61 Ų | 61 | 24.9 Ų | 24.9 | 27% | 0.265 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -87.5 | -58.5 | -177.8 | -72.5 | -175 | -174 | 179.2 | 0 | 112.2 | W351 S384 T385 | W351-K387 HydrophobicContact CD2-CD 3.77Å; W351-K387 HydrophobicContact CE3-CB 3.87Å; W351-K387 HydrophobicContact CE3-CD 3.68Å; W351-K387 HydrophobicContact CE3-CG 4.28Å; W351-K387 HydrophobicContact CH2-CD 3.78Å; W351-K387 HydrophobicContact CH2-CG 4.29Å; W351-K387 HydrophobicContact CZ2-CD 3.84Å; W351-K387 HydrophobicContact CZ3-CB 3.78Å; W351-K387 HydrophobicContact CZ3-CD 3.68Å; W351-K387 HydrophobicContact CZ3-CG 4Å; S384-K387 VanDerWaalsContact CB-CD 3.46Å; S384-K387 VanDerWaalsContact CB-CG 3.5Å; S384-K387 WeakPolarHBondContact O-CB 3.17Å; S384-K387 PolarHBondContact O-N 3.42Å; S384-K387 WeakPolarHBondContact OG-CE 3.39Å; T385-K387 VanDerWaalsContact C-N 3.26Å; T385-K387 PolarHBondContact O-N 3.26Å |
| 388 | L | 96 | Very high | 97.9 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -128.7 | 1.9 | -174.3 | -70.5 | 171 | 0 | 0 | 0 | 113.7 | W351 Y354 M585 | W351-L388 HydrophobicContact CB-CD1 4.39Å; W351-L388 HydrophobicContact CE3-CD1 3.7Å; W351-L388 HydrophobicContact CE3-CG 4.07Å; W351-L388 HydrophobicContact CZ3-CD1 4.44Å; W351-L388 HydrophobicContact CZ3-CG 4.45Å; W351-L388 VanDerWaalsContact O-CD1 3.26Å; W351-L388 WeakPolarHBondContact O-CD1 3.48Å; Y354-L388 HydrophobicContact CD1-CB 3.73Å; Y354-L388 HydrophobicContact CE1-CB 3.56Å; Y354-L388 HydrophobicContact CE1-CD1 3.56Å; Y354-L388 HydrophobicContact CE1-CG 4.14Å; L388-M585 WeakPolarHBondContact O-CE 3.09Å |
| 389 | L | 97.1 | Very high | 97.9 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 5% | 0.047 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -102.8 | -178.4 | 157.8 | -54.9 | 178.2 | 0 | 0 | 0 | 109.7 | F219 T385 M439 M585 | F219-L389 HydrophobicContact CE1-CD1 4.12Å; F219-L389 HydrophobicContact CZ-CD1 3.74Å; T385-L389 HydrophobicContact CG2-CB 3.89Å; T385-L389 HydrophobicContact CG2-CD1 4.01Å; T385-L389 CarbonylContact O-C 3.58Å; T385-L389 VanDerWaalsContact O-CA 3.25Å; T385-L389 WeakPolarHBondContact O-CA 3.35Å; T385-L389 VanDerWaalsContact O-CB 3.24Å; T385-L389 WeakPolarHBondContact O-CB 3.2Å; T385-L389 PolarHBondContact O-N 3.28Å; T385-L389 VanDerWaalsContact O-N 3.1Å; T385-L389 VanDerWaalsContact O-O 3.04Å; L389-M439 HydrophobicContact CD2-CG 4.13Å; L389-M439 HydrophobicContact CD2-SD 3.83Å; L389-M585 VanDerWaalsContact CA-CE 3.48Å; L389-M585 HydrophobicContact CB-CE 4.17Å; L389-M585 HydrophobicContact CD2-CE 3.42Å; L389-M585 VanDerWaalsContact CD2-CE 3.42Å; L389-M585 HydrophobicContact CG-CE 4.37Å |
| 390 | N | 96.1 | Very high | 97.9 | Very high | 57 Ų | 57 | 25.1 Ų | 25.1 | 31% | 0.305 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -102.5 | 76.1 | -175.7 | -65.4 | -34.3 | 0 | 0 | 0 | 111.4 | M438 | N390-M438 HydrophobicContact CB-CE 4.19Å; N390-M438 HydrophobicContact CB-SD 3.79Å; N390-M438 WeakPolarHBondContact ND2-CE 3.22Å |
| 391 | A | 97.9 | Very high | 97.9 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 17% | 0.165 | 14% | 0.137 | C | C | . | . | trans | -135.7 | 161.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T385 H386 A395 A435 | T385-A391 HydrophobicContact CG2-CB 3.49Å; T385-A391 VanDerWaalsContact CG2-CB 3.49Å; H386-A391 WeakPolarHBondContact CA-O 3.48Å; A391-A395 HydrophobicContact CB-CB 3.62Å; A391-A435 HydrophobicContact CB-CB 4.15Å | ||
| 392 | L | 97.8 | Very high | 97.8 | Very high | 90 Ų | 90 | 28.8 Ų | 28.8 | 47% | 0.471 | 15% | 0.153 | S | C | . | . | trans | -68.4 | 150.7 | 178.2 | -65.7 | 176.6 | 0 | 0 | 0 | 111.1 | H386 A395 A427 S431 | H386-L392 WeakPolarHBondContact CB-O 3.3Å; L392-A395 WeakPolarHBondContact O-CB 3.47Å; L392-A395 PolarHBondContact O-N 3.02Å; L392-A427 HydrophobicContact CD1-CB 4.24Å; L392-S431 PolarHBondContact N-OG 3.08Å | ||
| 393 | S | 97.7 | Very high | 97.7 | Very high | 91 Ų | 91 | 30.1 Ų | 30.1 | 64% | 0.636 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.2 | 143.5 | 173.3 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | A395 | S393-A395 PolarHBondContact O-N 2.92Š|
| 394 | Q | 97.7 | Very high | 97.6 | Very high | 110 Ų | 110 | 34.7 Ų | 34.7 | 51% | 0.514 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | -10.2 | -172.3 | -46.4 | 173.6 | -31.2 | 0 | 0 | 115.5 | V228 V229 G230 S396 I428 | V228-Q394 CarbonylContact C-O 3.11Å; V229-Q394 PolarHBondContact N-O 2.84Å; G230-Q394 VanDerWaalsContact CA-O 3.23Å; G230-Q394 WeakPolarHBondContact CA-O 3.36Å; G230-Q394 PolarHBondContact N-O 3.31Å; Q394-S396 PolarHBondContact O-N 2.82Å; Q394-I428 HydrophobicContact CB-CD1 4.43Å |
| 395 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -67.6 | 131.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T385 H386 A391 L392 S393 I428 N432 | T385-A395 PolarHBondContact N-O 3.34Å; H386-A395 HydrophobicContact CB-CB 4.49Å; H386-A395 PolarHBondContact N-O 3.26Å; H386-A395 PolarHBondContact ND1-O 2.79Å; A391-A395 HydrophobicContact CB-CB 3.62Å; L392-A395 WeakPolarHBondContact O-CB 3.47Å; L392-A395 PolarHBondContact O-N 3.02Å; S393-A395 PolarHBondContact O-N 2.92Å; A395-I428 HydrophobicContact CB-CG2 3.84Å; A395-N432 WeakPolarHBondContact CB-OD1 3.18Å | ||
| 396 | S | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 158.4 | -178.6 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | V227 T231 S234 H383 T385 Q394 N432 | V227-S396 PolarHBondContact N-O 3.44Å; V227-S396 PolarHBondContact O-N 3.07Å; T231-S396 WeakPolarHBondContact CA-OG 3.47Å; T231-S396 PolarHBondContact N-OG 3.18Å; T231-S396 PolarHBondContact OG1-OG 3.09Å; S234-S396 PolarHBondContact OG-OG 2.8Å; H383-S396 CarbonylContact O-C 3.55Å; H383-S396 WeakPolarHBondContact O-CA 3.46Å; H383-S396 PolarHBondContact O-OG 3.49Å; T385-S396 WeakPolarHBondContact OG1-CA 3.26Å; Q394-S396 PolarHBondContact O-N 2.82Å; S396-N432 PolarHBondContact O-ND2 3.13Å |
| 397 | Y | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 146.8 | 168.8 | -85.2 | -75.8 | 0 | 0 | 0 | 111.1 | A215 W225 T382 H383 H399 N432 V436 | A215-Y397 HydrophobicContact CB-CD1 4.35Å; A215-Y397 HydrophobicContact CB-CE1 3.73Å; W225-Y397 WeakPolarHBondContact O-CA 3.37Å; W225-Y397 VanDerWaalsContact O-CD1 3.3Å; W225-Y397 WeakPolarHBondContact O-CD1 3.35Å; T382-Y397 WeakPolarHBondContact CA-O 3.49Å; H383-Y397 PolarHBondContact N-O 3.21Å; H383-Y397 PolarHBondContact O-N 3.26Å; Y397-H399 WeakPolarHBondContact CB-NE2 3.42Å; Y397-H399 AromaticContact CG-CE1 3.89Å; Y397-N432 HydrophobicContact CE2-CB 3.63Å; Y397-N432 WeakPolarHBondContact CE2-OD1 3.47Å; Y397-N432 PolarHBondContact OH-O 3.36Å; Y397-V436 HydrophobicContact CE2-CG2 3.66Å |
| 398 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.9 | 159.4 | -57.3 | 165.1 | 0 | 0 | 0 | 107 | S224 W225 V227 T237 I238 T382 V400 F412 | S224-I398 CarbonylContact C-O 3.55Å; S224-I398 WeakPolarHBondContact CA-O 3.48Å; W225-I398 HydrophobicContact CB-CB 4.27Å; W225-I398 HydrophobicContact CB-CD1 4.47Å; W225-I398 PolarHBondContact N-O 2.96Å; W225-I398 PolarHBondContact O-N 2.86Å; V227-I398 HydrophobicContact CG2-CD1 3.94Å; V227-I398 HydrophobicContact CG2-CG1 4.03Å; T237-I398 HydrophobicContact CG2-CD1 3.76Å; I238-I398 HydrophobicContact CD1-CG1 4.39Å; I238-I398 HydrophobicContact CD1-CG2 3.82Å; I238-I398 HydrophobicContact CG1-CD1 4.34Å; I238-I398 HydrophobicContact CG1-CG2 3.91Å; T382-I398 HydrophobicContact CG2-CG1 4.37Å; I398-V400 HydrophobicContact CG2-CG2 4.04Å; I398-F412 HydrophobicContact CD1-CE1 4.16Å; I398-F412 HydrophobicContact CD1-CZ 4.02Å; I398-F412 HydrophobicContact CG2-CZ 4.02Å |
| 399 | H | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137 | 172.4 | -58.7 | -62.4 | 0 | 0 | 0 | 109.8 | F219 A221 S224 M367 F380 A381 H383 Y397 | F219-H399 AromaticContact CD1-CE1 3.84Å; F219-H399 AromaticContact CD1-NE2 3.48Å; F219-H399 WeakPolarHBondContact CD1-NE2 3.46Å; F219-H399 AromaticContact CD2-CE1 3.82Å; F219-H399 AromaticContact CE1-NE2 3.94Å; F219-H399 AromaticContact CG-CE1 3.45Å; F219-H399 VanDerWaalsContact CG-CE1 3.45Å; F219-H399 WeakPolarHBondContact CG-CE1 3.35Å; F219-H399 AromaticContact CG-NE2 3.61Å; A221-H399 HydrophobicContact CB-CB 3.88Å; S224-H399 PolarHBondContact OG-ND1 3.38Å; M367-H399 HydrophobicContact CE-CB 4.36Å; M367-H399 HydrophobicContact CG-CB 3.89Å; M367-H399 HydrophobicContact SD-CB 4.05Å; F380-H399 CarbonylContact C-O 3.15Å; F380-H399 WeakPolarHBondContact CA-O 3.45Å; A381-H399 HydrophobicContact CB-CB 4.3Å; A381-H399 PolarHBondContact N-O 3.45Å; A381-H399 PolarHBondContact O-N 2.85Å; H383-H399 AromaticContact CE1-CD2 3.54Å; H383-H399 AromaticContact CE1-NE2 3.88Å; H383-H399 AromaticContact CG-CD2 3.94Å; H383-H399 AromaticContact ND1-CD2 3.29Å; H383-H399 PolarHBondContact ND1-CD2 3.13Å; H383-H399 VanDerWaalsContact ND1-CD2 3.29Å; H383-H399 AromaticContact ND1-NE2 3.24Å; H383-H399 PolarHBondContact ND1-NE2 3.05Å; Y397-H399 WeakPolarHBondContact CB-NE2 3.42Å; Y397-H399 AromaticContact CG-CE1 3.89Å |
| 400 | V | 98.5 | Very high | 97.4 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 124.5 | -178.5 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | D222 R223 W225 T378 V379 F380 I398 E402 | D222-V400 PolarHBondContact N-O 3.3Å; R223-V400 PolarHBondContact N-O 3.01Å; R223-V400 PolarHBondContact O-N 2.95Å; W225-V400 HydrophobicContact CE3-CG2 4.07Å; W225-V400 HydrophobicContact CH2-CG2 4.5Å; W225-V400 HydrophobicContact CZ3-CB 4.17Å; W225-V400 HydrophobicContact CZ3-CG2 3.51Å; T378-V400 HydrophobicContact CG2-CG1 4Å; V379-V400 WeakPolarHBondContact O-CA 3.42Å; F380-V400 HydrophobicContact CD1-CB 4.44Å; F380-V400 HydrophobicContact CD1-CG1 4.22Å; F380-V400 HydrophobicContact CD1-CG2 3.61Å; F380-V400 HydrophobicContact CE1-CB 4.5Å; F380-V400 HydrophobicContact CE1-CG1 3.92Å; F380-V400 HydrophobicContact CE1-CG2 3.77Å; I398-V400 HydrophobicContact CG2-CG2 4.04Å; V400-E402 HydrophobicContact CG1-CG 4.46Å |
| 401 | R | 97.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 48 Ų | 48 | 2% | 0.023 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 114.5 | 162.3 | 177.8 | 72.9 | 82.8 | -127.1 | -1.2 | 108 | G220 D222 M367 R368 G369 H374 T378 V379 | G220-R401 PolarHBondContact O-NH1 3.04Å; G220-R401 PolarHBondContact O-NH2 3.12Å; D222-R401 VanDerWaalsContact OD2-CA 3.3Å; D222-R401 WeakPolarHBondContact OD2-CA 3.46Å; D222-R401 VanDerWaalsContact OD2-CD 3.27Å; D222-R401 WeakPolarHBondContact OD2-CD 3.48Å; D222-R401 IonicContact OD2-NH1 3.82Å; M367-R401 HydrophobicContact CE-CB 4.1Å; M367-R401 HydrophobicContact SD-CB 4.05Å; R368-R401 PolarHBondContact O-NH2 3.47Å; G369-R401 PolarHBondContact O-NH2 3.29Å; H374-R401 HydrophobicContact CB-CG 3.9Å; H374-R401 WeakPolarHBondContact CD2-CG 3.33Å; H374-R401 VanDerWaalsContact CG-CG 3.41Å; T378-R401 WeakPolarHBondContact CA-O 3.4Å; V379-R401 HydrophobicContact CB-CB 4.21Å; V379-R401 PolarHBondContact N-O 3.24Å; V379-R401 PolarHBondContact O-N 3.48Å |
| 402 | E | 97.1 | Very high | 97.3 | Very high | 72 Ų | 72 | 47.2 Ų | 47.2 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | trans | -75.1 | 136.8 | -178.5 | -68.2 | -173.1 | -175.7 | 0 | 0 | 110.6 | D222 R223 H374 V400 A406 | D222-E402 HydrophobicContact CB-CB 4.35Å; D222-E402 HydrophobicContact CB-CG 3.99Å; D222-E402 PolarHBondContact OD2-N 3.48Å; R223-E402 WeakPolarHBondContact CD-OE1 3.24Å; R223-E402 IonicContact CZ-OE1 2.66Å; R223-E402 IonicContact NE-OE1 2.76Å; R223-E402 PolarHBondContact NE-OE1 3.12Å; R223-E402 IonicContact NH2-OE1 3.91Å; H374-E402 PolarHBondContact CD2-O 3.08Å; H374-E402 VanDerWaalsContact CD2-O 3.28Å; V400-E402 HydrophobicContact CG1-CG 4.46Å; E402-A406 HydrophobicContact CB-CB 4.47Å | ||
| 403 | G | 97.1 | Very high | 97.3 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 28% | 0.278 | 24% | 0.241 | S | C | . | . | trans | -159.3 | -147 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G376 T378 G405 A406 | G376-G403 WeakPolarHBondContact O-CA 3.35Å; T378-G403 PolarHBondContact OG1-N 2.96Å; G403-G405 PolarHBondContact O-N 3.14Å; G403-A406 WeakPolarHBondContact O-CB 3.2Å; G403-A406 PolarHBondContact O-N 2.8Å | ||
| 404 | R | 97.1 | Very high | 97.3 | Very high | 104 Ų | 104 | 45.1 Ų | 45.1 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -56.7 | 141.8 | 169.3 | -59.5 | -172.7 | -57.9 | -87.3 | 5 | 109.3 | E339 D343 N375 G376 T378 A406 | E339-R404 IonicContact OE2-CZ 3.15Å; E339-R404 IonicContact OE2-NH1 2.67Å; E339-R404 IonicContact OE2-NH2 2.72Å; E339-R404 PolarHBondContact OE2-NH2 3.4Å; D343-R404 HydrophobicContact CB-CB 4.17Å; D343-R404 IonicContact OD1-NE 2.72Å; D343-R404 PolarHBondContact OD1-NE 3.13Å; N375-R404 PolarHBondContact O-NH1 3.13Å; G376-R404 PolarHBondContact O-N 3.47Å; T378-R404 PolarHBondContact N-O 3.42Å; T378-R404 PolarHBondContact OG1-O 3.11Å; R404-A406 VanDerWaalsContact C-N 3.28Å; R404-A406 PolarHBondContact O-N 3.31Å |
| 405 | G | 95.6 | Very high | 97.3 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 34% | 0.34 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 11.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R344 G403 | R344-G405 PolarHBondContact NE-O 3.2Å; R344-G405 PolarHBondContact NH2-O 3.04Å; G403-G405 PolarHBondContact O-N 3.14Å |
| 406 | A | 96.8 | Very high | 97.3 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -52.4 | 142.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T378 E402 G403 R404 | T378-A406 WeakPolarHBondContact OG1-CA 3.47Å; T378-A406 PolarHBondContact OG1-N 3.23Å; E402-A406 HydrophobicContact CB-CB 4.47Å; G403-A406 WeakPolarHBondContact O-CB 3.2Å; G403-A406 PolarHBondContact O-N 2.8Å; R404-A406 VanDerWaalsContact C-N 3.28Å; R404-A406 PolarHBondContact O-N 3.31Å |
| 407 | I | 96.7 | Very high | 97.2 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -99.5 | 122.4 | -179.3 | -58.9 | 178.1 | 0 | 0 | 0 | 107.9 | A241 C242 F380 F409 R411 F412 | A241-I407 HydrophobicContact CB-CD1 4.07Å; C242-I407 HydrophobicContact CB-CD1 4.36Å; C242-I407 WeakPolarHBondContact SG-CD1 3.45Å; F380-I407 HydrophobicContact CZ-CD1 3.99Å; I407-F409 PolarHBondContact O-N 3.41Å; I407-R411 HydrophobicContact CG2-CB 4Å; I407-R411 HydrophobicContact CG2-CG 3.83Å; I407-F412 HydrophobicContact CG2-CB 4Å; I407-F412 HydrophobicContact CG2-CD2 4.42Å |
| 408 | N | 95.3 | Very high | 97.2 | Very high | 110 Ų | 110 | 49.6 Ų | 49.6 | 59% | 0.588 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 140.2 | 175.5 | 175.8 | -83.4 | 0 | 0 | 0 | 110.9 | S410 R411 F412 | N408-S410 VanDerWaalsContact C-N 3.29Å; N408-S410 PolarHBondContact O-N 2.94Å; N408-S410 VanDerWaalsContact O-N 3.17Å; N408-S410 WeakPolarHBondContact OD1-CB 3.45Å; N408-S410 PolarHBondContact OD1-N 2.83Å; N408-R411 PolarHBondContact O-N 3.29Å; N408-F412 PolarHBondContact O-N 2.78Å; N408-F412 VanDerWaalsContact O-N 3.09Å |
| 409 | F | 96.1 | Very high | 97.1 | Very high | 67 Ų | 67 | 50.8 Ų | 50.8 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -46.4 | -47.1 | -178.9 | -180 | -92.7 | 0 | 0 | 0 | 113.8 | H204 W225 I407 R411 F412 N413 | H204-F409 HydrophobicContact CB-CZ 4.06Å; H204-F409 AromaticContact CD2-CZ 3.44Å; H204-F409 VanDerWaalsContact CD2-CZ 3.44Å; H204-F409 WeakPolarHBondContact CD2-CZ 3.28Å; H204-F409 AromaticContact CG-CZ 3.79Å; W225-F409 HydrophobicContact CH2-CD2 4.45Å; W225-F409 AromaticContact CZ2-CD2 3.71Å; W225-F409 HydrophobicContact CZ2-CD2 3.71Å; W225-F409 AromaticContact CZ2-CE2 3.86Å; W225-F409 HydrophobicContact CZ2-CE2 3.86Å; I407-F409 PolarHBondContact O-N 3.41Å; F409-R411 VanDerWaalsContact C-N 3.31Å; F409-R411 PolarHBondContact O-N 3.25Å; F409-F412 PolarHBondContact O-N 3.25Å; F409-N413 HydrophobicContact CE1-CB 4.28Å; F409-N413 VanDerWaalsContact O-CB 3.31Å; F409-N413 WeakPolarHBondContact O-CB 3.27Å; F409-N413 PolarHBondContact O-N 3.02Å |
| 410 | S | 95.9 | Very high | 96.9 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 53% | 0.531 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | -177.8 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | N408 Q414 | N408-S410 VanDerWaalsContact C-N 3.29Å; N408-S410 PolarHBondContact O-N 2.94Å; N408-S410 VanDerWaalsContact O-N 3.17Å; N408-S410 WeakPolarHBondContact OD1-CB 3.45Å; N408-S410 PolarHBondContact OD1-N 2.83Å; S410-Q414 WeakPolarHBondContact O-CG 3.15Å; S410-Q414 PolarHBondContact O-N 3.4Å |
| 411 | R | 95.6 | Very high | 96.7 | Very high | 128 Ų | 128 | 54 Ų | 54 | 48% | 0.483 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.7 | -46 | 176 | 172.6 | 176.9 | 163.1 | 170.3 | 5.6 | 111.1 | A241 I407 N408 F409 N413 Q414 | A241-R411 VanDerWaalsContact O-CZ 3.24Å; A241-R411 PolarHBondContact O-NE 2.92Å; A241-R411 PolarHBondContact O-NH2 2.92Å; I407-R411 HydrophobicContact CG2-CB 4Å; I407-R411 HydrophobicContact CG2-CG 3.83Å; N408-R411 PolarHBondContact O-N 3.29Å; F409-R411 VanDerWaalsContact C-N 3.31Å; F409-R411 PolarHBondContact O-N 3.25Å; R411-N413 VanDerWaalsContact C-N 3.32Å; R411-N413 PolarHBondContact O-N 3.02Å; R411-Q414 PolarHBondContact O-N 3.03Å |
| 412 | F | 98 | Very high | 96.5 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 178.6 | -165.4 | -85.1 | 0 | 0 | 0 | 111.1 | W225 T237 I238 A241 F380 I398 I407 N408 F409 Q414 A415 Y416 | W225-F412 AromaticContact CD2-CD1 3.97Å; W225-F412 HydrophobicContact CD2-CD1 3.97Å; W225-F412 AromaticContact CD2-CE1 3.75Å; W225-F412 HydrophobicContact CD2-CE1 3.75Å; W225-F412 AromaticContact CE2-CD1 3.57Å; W225-F412 AromaticContact CE2-CE1 3.87Å; W225-F412 HydrophobicContact CE3-CD1 4.28Å; W225-F412 AromaticContact CE3-CE1 3.92Å; W225-F412 HydrophobicContact CE3-CE1 3.92Å; W225-F412 HydrophobicContact CG-CE1 4.22Å; W225-F412 AromaticContact CH2-CD1 3.85Å; W225-F412 HydrophobicContact CH2-CD1 3.85Å; W225-F412 HydrophobicContact CH2-CE1 4.28Å; W225-F412 HydrophobicContact CH2-CG 4.25Å; W225-F412 HydrophobicContact CZ2-CB 4.37Å; W225-F412 AromaticContact CZ2-CD1 3.52Å; W225-F412 HydrophobicContact CZ2-CD1 3.52Å; W225-F412 HydrophobicContact CZ2-CE1 4.14Å; W225-F412 HydrophobicContact CZ2-CG 4.16Å; W225-F412 HydrophobicContact CZ3-CD1 4.23Å; W225-F412 HydrophobicContact CZ3-CE1 4.19Å; T237-F412 HydrophobicContact CG2-CE1 3.83Å; T237-F412 HydrophobicContact CG2-CZ 3.91Å; I238-F412 HydrophobicContact CG1-CE2 4.26Å; I238-F412 HydrophobicContact CG1-CZ 4.06Å; A241-F412 HydrophobicContact CB-CD2 3.53Å; A241-F412 HydrophobicContact CB-CE2 3.87Å; A241-F412 HydrophobicContact CB-CG 4.26Å; F380-F412 HydrophobicContact CD1-CE2 4.27Å; F380-F412 HydrophobicContact CE1-CD2 4.28Å; F380-F412 AromaticContact CE1-CE2 3.68Å; F380-F412 HydrophobicContact CE1-CE2 3.68Å; I398-F412 HydrophobicContact CD1-CE1 4.16Å; I398-F412 HydrophobicContact CD1-CZ 4.02Å; I398-F412 HydrophobicContact CG2-CZ 4.02Å; I407-F412 HydrophobicContact CG2-CB 4Å; I407-F412 HydrophobicContact CG2-CD2 4.42Å; N408-F412 PolarHBondContact O-N 2.78Å; N408-F412 VanDerWaalsContact O-N 3.09Å; F409-F412 PolarHBondContact O-N 3.25Å; F412-Q414 VanDerWaalsContact C-N 3.3Å; F412-Q414 PolarHBondContact O-N 2.89Å; F412-A415 PolarHBondContact O-N 3.29Å; F412-A415 VanDerWaalsContact O-N 3.12Å; F412-Y416 PolarHBondContact O-N 2.89Å |
| 413 | N | 97.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.8 | -31.9 | -179.1 | -163.3 | 27.9 | 0 | 0 | 0 | 112.7 | L202 H204 F409 R411 A415 Y416 M417 | L202-N413 PolarHBondContact O-ND2 3.05Å; H204-N413 PolarHBondContact NE2-OD1 2.81Å; F409-N413 HydrophobicContact CE1-CB 4.28Å; F409-N413 VanDerWaalsContact O-CB 3.31Å; F409-N413 WeakPolarHBondContact O-CB 3.27Å; F409-N413 PolarHBondContact O-N 3.02Å; R411-N413 VanDerWaalsContact C-N 3.32Å; R411-N413 PolarHBondContact O-N 3.02Å; N413-A415 VanDerWaalsContact C-N 3.35Å; N413-A415 PolarHBondContact O-N 3.09Å; N413-Y416 PolarHBondContact O-N 3Å; N413-Y416 VanDerWaalsContact OD1-CD1 3.29Å; N413-Y416 WeakPolarHBondContact OD1-CD1 3.21Å; N413-M417 WeakPolarHBondContact O-CB 3.25Å; N413-M417 VanDerWaalsContact O-CG 3.29Å; N413-M417 WeakPolarHBondContact O-CG 3.26Å; N413-M417 PolarHBondContact O-N 3.22Å |
| 414 | Q | 97.4 | Very high | 96.1 | Very high | 120 Ų | 120 | 58.8 Ų | 58.8 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.2 | -44.2 | 172.7 | -69.5 | -58.3 | -40.3 | 0 | 0 | 112 | S410 R411 F412 M417 M418 | S410-Q414 WeakPolarHBondContact O-CG 3.15Å; S410-Q414 PolarHBondContact O-N 3.4Å; R411-Q414 PolarHBondContact O-N 3.03Å; F412-Q414 VanDerWaalsContact C-N 3.3Å; F412-Q414 PolarHBondContact O-N 2.89Å; Q414-M417 VanDerWaalsContact CD-CE 3.48Å; Q414-M417 HydrophobicContact CG-CE 4.49Å; Q414-M417 PolarHBondContact O-N 3.06Å; Q414-M418 WeakPolarHBondContact O-CG 3.36Å; Q414-M418 PolarHBondContact O-N 3.08Å |
| 415 | A | 97.6 | Very high | 96 | Very high | 6 Ų | 6 | 57 Ų | 57 | 5% | 0.05 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T237 Q240 A241 F412 N413 M418 H419 | T237-A415 HydrophobicContact CG2-CB 4.39Å; T237-A415 WeakPolarHBondContact O-CB 3.36Å; Q240-A415 HydrophobicContact CB-CB 4.01Å; A241-A415 HydrophobicContact CB-CB 3.94Å; F412-A415 PolarHBondContact O-N 3.29Å; F412-A415 VanDerWaalsContact O-N 3.12Å; N413-A415 VanDerWaalsContact C-N 3.35Å; N413-A415 PolarHBondContact O-N 3.09Å; A415-M418 PolarHBondContact O-N 3.37Å; A415-H419 PolarHBondContact O-CD2 3.44Å |
| 416 | Y | 98.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -48 | 175.9 | 173.1 | -97.5 | 0 | 0 | 0 | 111.9 | L201 L202 H204 W225 S226 V227 T237 F412 N413 M418 H419 A420 | L201-Y416 WeakPolarHBondContact CD1-OH 3Å; L201-Y416 WeakPolarHBondContact CG-OH 3.43Å; L202-Y416 HydrophobicContact CD2-CE1 4.21Å; H204-Y416 AromaticContact CE1-CE1 3.72Å; H204-Y416 AromaticContact NE2-CD1 3.84Å; H204-Y416 AromaticContact NE2-CE1 3.84Å; W225-Y416 HydrophobicContact CB-CD2 4.27Å; W225-Y416 HydrophobicContact CB-CE2 4.16Å; W225-Y416 AromaticContact CD1-CD2 3.76Å; W225-Y416 AromaticContact CD1-CG 3.9Å; W225-Y416 HydrophobicContact CG-CD2 4.3Å; S226-Y416 WeakPolarHBondContact O-CE2 3.41Å; S226-Y416 PolarHBondContact O-OH 3.27Å; V227-Y416 HydrophobicContact CG2-CD2 4.43Å; V227-Y416 HydrophobicContact CG2-CE2 3.96Å; T237-Y416 HydrophobicContact CG2-CD2 4.47Å; F412-Y416 PolarHBondContact O-N 2.89Å; N413-Y416 PolarHBondContact O-N 3Å; N413-Y416 VanDerWaalsContact OD1-CD1 3.29Å; N413-Y416 WeakPolarHBondContact OD1-CD1 3.21Å; Y416-M418 VanDerWaalsContact C-N 3.26Å; Y416-M418 PolarHBondContact O-N 2.91Å; Y416-H419 PolarHBondContact O-N 3.07Å; Y416-H419 VanDerWaalsContact O-N 3.1Å; Y416-A420 HydrophobicContact CD1-CB 4.48Å; Y416-A420 HydrophobicContact CE1-CB 4.12Å; Y416-A420 WeakPolarHBondContact O-CB 3.34Å; Y416-A420 PolarHBondContact O-N 3.45Å |
| 417 | M | 97.3 | Very high | 95.8 | Very high | 63 Ų | 63 | 53.9 Ų | 53.9 | 31% | 0.31 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.8 | -27.4 | 178.9 | -69.3 | -170.8 | -64.6 | 0 | 0 | 113.5 | L202 N413 Q414 H419 | L202-M417 HydrophobicContact CD2-CB 4.36Å; L202-M417 HydrophobicContact CD2-CG 3.9Å; N413-M417 WeakPolarHBondContact O-CB 3.25Å; N413-M417 VanDerWaalsContact O-CG 3.29Å; N413-M417 WeakPolarHBondContact O-CG 3.26Å; N413-M417 PolarHBondContact O-N 3.22Å; Q414-M417 VanDerWaalsContact CD-CE 3.48Å; Q414-M417 HydrophobicContact CG-CE 4.49Å; Q414-M417 PolarHBondContact O-N 3.06Å; M417-H419 PolarHBondContact O-N 3.33Å |
| 418 | M | 96.9 | Very high | 95.8 | Very high | 132 Ų | 132 | 53.5 Ų | 53.5 | 65% | 0.65 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.9 | -23.6 | 175.2 | -73.6 | 176.3 | 62.4 | 0 | 0 | 113.3 | Q414 A415 Y416 | Q414-M418 WeakPolarHBondContact O-CG 3.36Å; Q414-M418 PolarHBondContact O-N 3.08Å; A415-M418 PolarHBondContact O-N 3.37Å; Y416-M418 VanDerWaalsContact C-N 3.26Å; Y416-M418 PolarHBondContact O-N 2.91Å |
| 419 | H | 96.9 | Very high | 95.9 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 12% | 0.12 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -107.8 | -22.6 | -178.5 | -70.8 | -59.6 | 0 | 0 | 0 | 113.8 | R236 T237 Q240 A415 Y416 M417 | R236-H419 WeakPolarHBondContact CB-NE2 3.42Å; T237-H419 PolarHBondContact OG1-CD2 3.11Å; Q240-H419 VanDerWaalsContact CD-NE2 3.28Å; Q240-H419 PolarHBondContact OE1-NE2 3.43Å; Q240-H419 VanDerWaalsContact OE1-NE2 3.12Å; A415-H419 PolarHBondContact O-CD2 3.44Å; Y416-H419 PolarHBondContact O-N 3.07Å; Y416-H419 VanDerWaalsContact O-N 3.1Å; M417-H419 PolarHBondContact O-N 3.33Å |
| 420 | A | 95.6 | Very high | 95.9 | Very high | 18 Ų | 18 | 45.5 Ų | 45.5 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -76.1 | 150.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L202 Y416 | L202-A420 HydrophobicContact CD2-CB 3.57Å; Y416-A420 HydrophobicContact CD1-CB 4.48Å; Y416-A420 HydrophobicContact CE1-CB 4.12Å; Y416-A420 WeakPolarHBondContact O-CB 3.34Å; Y416-A420 PolarHBondContact O-N 3.45Å |
| 421 | T | 94.3 | Very high | 96 | Very high | 57 Ų | 57 | 42.7 Ų | 42.7 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | trans | -82.2 | 145.1 | 168.9 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | V228 S423 P424 | V228-T421 HydrophobicContact CG2-CG2 4.07Å; T421-S423 PolarHBondContact O-N 3.42Å; T421-S423 PolarHBondContact OG1-N 2.71Å; T421-S423 VanDerWaalsContact OG1-N 3.08Å; T421-S423 PolarHBondContact OG1-O 2.8Å; T421-P424 VanDerWaalsContact CG2-CA 3.49Å; T421-P424 HydrophobicContact CG2-CB 3.99Å | ||
| 422 | T | 93 | Very high | 96.1 | Very high | 108 Ų | 108 | 36.6 Ų | 36.6 | 66% | 0.663 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -74.1 | -4.9 | 171.1 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | L202 | L202-T422 HydrophobicContact CD1-CG2 4.11Š|
| 423 | S | 93.4 | Very high | 96 | Very high | 92 Ų | 92 | 36.4 Ų | 36.4 | 64% | 0.643 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -135.8 | 72.7 | 174.8 | -59.8 | 0 | 0 | 0 | 0 | 109 | T421 | T421-S423 PolarHBondContact O-N 3.42Å; T421-S423 PolarHBondContact OG1-N 2.71Å; T421-S423 VanDerWaalsContact OG1-N 3.08Å; T421-S423 PolarHBondContact OG1-O 2.8Å |
| 424 | P | 93.5 | Very high | 96 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | trans | -68.6 | 141.9 | 179.1 | 30.5 | -34.7 | 0 | 0 | 0 | 110.2 | L201 V228 T421 Y426 | L201-P424 HydrophobicContact CB-CG 4.2Å; L201-P424 HydrophobicContact CD2-CB 3.64Å; L201-P424 HydrophobicContact CD2-CG 3.72Å; V228-P424 HydrophobicContact CG2-CB 3.85Å; T421-P424 VanDerWaalsContact CG2-CA 3.49Å; T421-P424 HydrophobicContact CG2-CB 3.99Å; P424-Y426 HydrophobicContact CG-CD1 4.19Å; P424-Y426 HydrophobicContact CG-CE1 3.92Å; P424-Y426 VanDerWaalsContact O-CD1 3.25Å; P424-Y426 WeakPolarHBondContact O-CD1 3.39Å; P424-Y426 PolarHBondContact O-N 2.91Å; P424-Y426 VanDerWaalsContact O-N 3.13Å | ||
| 425 | L | 93.4 | Very high | 96 | Very high | 65 Ų | 65 | 32.1 Ų | 32.1 | 34% | 0.34 | 19% | 0.189 | S | C | . | . | trans | -71.9 | 108.2 | 172.1 | 178.6 | 59.2 | 0 | 0 | 0 | 108.8 | D190 A427 I428 C429 | D190-L425 HydrophobicContact CB-CD1 4.16Å; L425-A427 HydrophobicContact CD1-CB 4.38Å; L425-A427 HydrophobicContact CG-CB 4.12Å; L425-A427 PolarHBondContact O-N 3.23Å; L425-A427 VanDerWaalsContact O-N 3.11Å; L425-I428 HydrophobicContact CB-CD1 4.07Å; L425-I428 HydrophobicContact CB-CG1 4.17Å; L425-I428 HydrophobicContact CD2-CD1 4.11Å; L425-I428 HydrophobicContact CD2-CG1 4Å; L425-I428 HydrophobicContact CG-CD1 4.48Å; L425-I428 HydrophobicContact CG-CG1 4.2Å; L425-I428 WeakPolarHBondContact O-CB 3.34Å; L425-I428 PolarHBondContact O-N 3.46Å; L425-C429 PolarHBondContact O-N 3.47Å | ||
| 426 | Y | 94.1 | Very high | 96 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.8 | -24.7 | -174.3 | -78 | 14.8 | 0 | 0 | 0 | 113.2 | L147 M191 L198 F208 P424 I428 C429 A430 | L147-Y426 HydrophobicContact CD2-CD2 3.6Å; L147-Y426 HydrophobicContact CD2-CE2 4.42Å; L147-Y426 HydrophobicContact CD2-CG 4.37Å; M191-Y426 HydrophobicContact CB-CD2 4.28Å; M191-Y426 HydrophobicContact CB-CE2 4.34Å; M191-Y426 HydrophobicContact CE-CD2 4.03Å; M191-Y426 HydrophobicContact CE-CE2 4.49Å; L198-Y426 HydrophobicContact CD1-CD2 4.19Å; L198-Y426 HydrophobicContact CD1-CE2 3.77Å; F208-Y426 HydrophobicContact CE2-CE1 4.09Å; F208-Y426 HydrophobicContact CE2-CE2 4.04Å; F208-Y426 AromaticContact CE2-CZ 3.73Å; F208-Y426 AromaticContact CZ-CD1 3.79Å; F208-Y426 HydrophobicContact CZ-CD1 3.79Å; F208-Y426 HydrophobicContact CZ-CD2 4.23Å; F208-Y426 AromaticContact CZ-CE1 3.56Å; F208-Y426 HydrophobicContact CZ-CE1 3.56Å; F208-Y426 AromaticContact CZ-CE2 3.99Å; F208-Y426 HydrophobicContact CZ-CE2 3.99Å; F208-Y426 HydrophobicContact CZ-CG 4.12Å; F208-Y426 AromaticContact CZ-CZ 3.65Å; P424-Y426 HydrophobicContact CG-CD1 4.19Å; P424-Y426 HydrophobicContact CG-CE1 3.92Å; P424-Y426 VanDerWaalsContact O-CD1 3.25Å; P424-Y426 WeakPolarHBondContact O-CD1 3.39Å; P424-Y426 PolarHBondContact O-N 2.91Å; P424-Y426 VanDerWaalsContact O-N 3.13Å; Y426-I428 VanDerWaalsContact C-N 3.31Å; Y426-I428 PolarHBondContact O-N 3.34Å; Y426-C429 WeakPolarHBondContact O-CB 3.29Å; Y426-C429 PolarHBondContact O-N 2.87Å; Y426-A430 WeakPolarHBondContact O-CB 3.44Å; Y426-A430 PolarHBondContact O-N 3.23Å |
| 427 | A | 94.7 | Very high | 95.9 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -38.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L186 L392 L425 S431 | L186-A427 HydrophobicContact CD1-CB 3.95Å; L392-A427 HydrophobicContact CD1-CB 4.24Å; L425-A427 HydrophobicContact CD1-CB 4.38Å; L425-A427 HydrophobicContact CG-CB 4.12Å; L425-A427 PolarHBondContact O-N 3.23Å; L425-A427 VanDerWaalsContact O-N 3.11Å; A427-S431 PolarHBondContact O-N 3.45Å |
| 428 | I | 96.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 33 Ų | 33 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.3 | -46.3 | 175.4 | -57.3 | 177.4 | 0 | 0 | 0 | 109.3 | V228 Q394 A395 L425 Y426 A430 S431 N432 | V228-I428 HydrophobicContact CB-CB 4.46Å; V228-I428 HydrophobicContact CB-CG2 4.05Å; V228-I428 HydrophobicContact CG1-CB 4.12Å; V228-I428 HydrophobicContact CG1-CG2 3.83Å; Q394-I428 HydrophobicContact CB-CD1 4.43Å; A395-I428 HydrophobicContact CB-CG2 3.84Å; L425-I428 HydrophobicContact CB-CD1 4.07Å; L425-I428 HydrophobicContact CB-CG1 4.17Å; L425-I428 HydrophobicContact CD2-CD1 4.11Å; L425-I428 HydrophobicContact CD2-CG1 4Å; L425-I428 HydrophobicContact CG-CD1 4.48Å; L425-I428 HydrophobicContact CG-CG1 4.2Å; L425-I428 WeakPolarHBondContact O-CB 3.34Å; L425-I428 PolarHBondContact O-N 3.46Å; Y426-I428 VanDerWaalsContact C-N 3.31Å; Y426-I428 PolarHBondContact O-N 3.34Å; I428-A430 VanDerWaalsContact C-N 3.32Å; I428-A430 PolarHBondContact O-N 3.08Å; I428-S431 PolarHBondContact O-N 3.44Å; I428-S431 VanDerWaalsContact O-N 3.15Å; I428-S431 PolarHBondContact O-OG 3Å; I428-N432 PolarHBondContact O-N 2.85Å; I428-N432 VanDerWaalsContact O-N 3.08Å |
| 429 | C | 96.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.4 | -45.5 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 112 | L143 F208 V228 L425 Y426 S431 N432 D433 | L143-C429 HydrophobicContact CD2-CB 3.62Å; F208-C429 HydrophobicContact CE1-CB 3.77Å; V228-C429 WeakPolarHBondContact CG1-SG 3.29Å; L425-C429 PolarHBondContact O-N 3.47Å; Y426-C429 WeakPolarHBondContact O-CB 3.29Å; Y426-C429 PolarHBondContact O-N 2.87Å; C429-S431 VanDerWaalsContact C-N 3.33Å; C429-S431 PolarHBondContact O-N 3.24Å; C429-N432 VanDerWaalsContact O-CB 3.31Å; C429-N432 WeakPolarHBondContact O-CB 3.11Å; C429-N432 PolarHBondContact O-N 3.24Å; C429-D433 PolarHBondContact O-N 3.36Å; C429-D433 VanDerWaalsContact O-N 3.08Å |
| 430 | A | 96.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 28 Ų | 28 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F144 L147 Y426 I428 N432 D433 V434 | F144-A430 HydrophobicContact CD2-CB 3.95Å; L147-A430 HydrophobicContact CD1-CB 3.66Å; Y426-A430 WeakPolarHBondContact O-CB 3.44Å; Y426-A430 PolarHBondContact O-N 3.23Å; I428-A430 VanDerWaalsContact C-N 3.32Å; I428-A430 PolarHBondContact O-N 3.08Å; A430-N432 VanDerWaalsContact C-N 3.29Å; A430-N432 PolarHBondContact O-N 2.95Å; A430-D433 PolarHBondContact O-N 3.26Å; A430-V434 WeakPolarHBondContact O-CG2 3.47Å; A430-V434 PolarHBondContact O-N 3.48Å |
| 431 | S | 97.8 | Very high | 95.5 | Very high | 16 Ų | 16 | 29.2 Ų | 29.2 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.9 | -34.3 | 176.5 | 77.5 | 0 | 0 | 0 | 0 | 112.6 | L392 A427 I428 C429 A435 | L392-S431 PolarHBondContact N-OG 3.08Å; A427-S431 PolarHBondContact O-N 3.45Å; I428-S431 PolarHBondContact O-N 3.44Å; I428-S431 VanDerWaalsContact O-N 3.15Å; I428-S431 PolarHBondContact O-OG 3Å; C429-S431 VanDerWaalsContact C-N 3.33Å; C429-S431 PolarHBondContact O-N 3.24Å; S431-A435 VanDerWaalsContact O-CB 3.28Å; S431-A435 WeakPolarHBondContact O-CB 3.4Å; S431-A435 PolarHBondContact O-N 2.99Å |
| 432 | N | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -48.3 | 171.4 | -111.3 | -2.3 | 0 | 0 | 0 | 110.8 | S226 T385 A395 S396 Y397 I428 C429 A430 V434 A435 V436 | S226-N432 PolarHBondContact OG-ND2 2.91Å; T385-N432 VanDerWaalsContact CB-OD1 3.27Å; T385-N432 WeakPolarHBondContact CB-OD1 3.41Å; T385-N432 WeakPolarHBondContact CG2-OD1 3.37Å; T385-N432 PolarHBondContact OG1-OD1 2.97Å; A395-N432 WeakPolarHBondContact CB-OD1 3.18Å; S396-N432 PolarHBondContact O-ND2 3.13Å; Y397-N432 HydrophobicContact CE2-CB 3.63Å; Y397-N432 WeakPolarHBondContact CE2-OD1 3.47Å; Y397-N432 PolarHBondContact OH-O 3.36Å; I428-N432 PolarHBondContact O-N 2.85Å; I428-N432 VanDerWaalsContact O-N 3.08Å; C429-N432 VanDerWaalsContact O-CB 3.31Å; C429-N432 WeakPolarHBondContact O-CB 3.11Å; C429-N432 PolarHBondContact O-N 3.24Å; A430-N432 VanDerWaalsContact C-N 3.29Å; A430-N432 PolarHBondContact O-N 2.95Å; N432-V434 PolarHBondContact O-N 3.37Å; N432-A435 PolarHBondContact O-N 3.03Å; N432-V436 WeakPolarHBondContact O-CG2 3.42Å; N432-V436 PolarHBondContact O-N 2.71Å; N432-V436 VanDerWaalsContact O-N 3.08Å |
| 433 | D | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 178.7 | -166.9 | 43.2 | 0 | 0 | 0 | 112.2 | P141 L143 F144 S211 C429 A430 V436 S437 | P141-D433 VanDerWaalsContact C-OD2 3.31Å; P141-D433 VanDerWaalsContact CB-CG 3.47Å; P141-D433 VanDerWaalsContact CB-OD2 3.25Å; P141-D433 WeakPolarHBondContact CB-OD2 3.38Å; P141-D433 HydrophobicContact CG-CB 4.32Å; P141-D433 VanDerWaalsContact CG-OD2 3.27Å; P141-D433 WeakPolarHBondContact CG-OD2 3.4Å; L143-D433 WeakPolarHBondContact CA-OD2 3.36Å; L143-D433 HydrophobicContact CB-CB 4.17Å; L143-D433 VanDerWaalsContact CB-OD2 3.26Å; L143-D433 WeakPolarHBondContact CB-OD2 3.44Å; L143-D433 PolarHBondContact N-OD2 3.2Å; F144-D433 PolarHBondContact N-OD2 2.88Å; S211-D433 WeakPolarHBondContact CB-OD1 3.49Å; C429-D433 PolarHBondContact O-N 3.36Å; C429-D433 VanDerWaalsContact O-N 3.08Å; A430-D433 PolarHBondContact O-N 3.26Å; D433-V436 PolarHBondContact O-N 3.48Å; D433-S437 PolarHBondContact O-N 2.99Å; D433-S437 VanDerWaalsContact O-N 3.13Å |
| 434 | V | 97.2 | Very high | 95.5 | Very high | 44 Ų | 44 | 21.7 Ų | 21.7 | 27% | 0.267 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -66.9 | -41.7 | 174.4 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | P141 F144 A430 N432 V436 S437 M438 | P141-V434 HydrophobicContact CG-CG2 4.19Å; F144-V434 HydrophobicContact CB-CG2 4.01Å; F144-V434 HydrophobicContact CD1-CG2 3.83Å; F144-V434 HydrophobicContact CE1-CG2 4.47Å; F144-V434 HydrophobicContact CG-CG2 3.89Å; A430-V434 WeakPolarHBondContact O-CG2 3.47Å; A430-V434 PolarHBondContact O-N 3.48Å; N432-V434 PolarHBondContact O-N 3.37Å; V434-V436 VanDerWaalsContact C-N 3.27Å; V434-V436 PolarHBondContact O-N 3.15Å; V434-S437 WeakPolarHBondContact O-CB 3.21Å; V434-S437 PolarHBondContact O-N 3.39Å; V434-M438 HydrophobicContact CG1-CG 4.29Å; V434-M438 HydrophobicContact CG1-SD 4.24Å; V434-M438 WeakPolarHBondContact O-CG 3.29Å; V434-M438 PolarHBondContact O-N 2.83Å |
| 435 | A | 97.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.6 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T385 A391 S431 N432 M439 | T385-A435 HydrophobicContact CG2-CB 3.53Å; A391-A435 HydrophobicContact CB-CB 4.15Å; S431-A435 VanDerWaalsContact O-CB 3.28Å; S431-A435 WeakPolarHBondContact O-CB 3.4Å; S431-A435 PolarHBondContact O-N 2.99Å; N432-A435 PolarHBondContact O-N 3.03Å; A435-M439 WeakPolarHBondContact O-CG 3.47Å; A435-M439 PolarHBondContact O-N 3.22Å |
| 436 | V | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 172.1 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | Y214 A215 V218 F219 Y397 N432 D433 V434 M438 M439 D440 | Y214-V436 HydrophobicContact CD1-CB 4.26Å; Y214-V436 HydrophobicContact CD1-CG1 3.52Å; Y214-V436 HydrophobicContact CE1-CB 4.17Å; Y214-V436 HydrophobicContact CE1-CG1 3.51Å; Y214-V436 HydrophobicContact CG-CG1 4.4Å; A215-V436 HydrophobicContact CB-CG1 4.25Å; A215-V436 HydrophobicContact CB-CG2 3.72Å; V218-V436 HydrophobicContact CB-CG1 3.76Å; V218-V436 HydrophobicContact CG1-CG1 4.06Å; V218-V436 HydrophobicContact CG2-CG1 3.75Å; F219-V436 HydrophobicContact CD2-CG2 4.43Å; F219-V436 HydrophobicContact CE2-CB 4.34Å; F219-V436 HydrophobicContact CE2-CG1 4.35Å; F219-V436 HydrophobicContact CE2-CG2 3.83Å; Y397-V436 HydrophobicContact CE2-CG2 3.66Å; N432-V436 WeakPolarHBondContact O-CG2 3.42Å; N432-V436 PolarHBondContact O-N 2.71Å; N432-V436 VanDerWaalsContact O-N 3.08Å; D433-V436 PolarHBondContact O-N 3.48Å; V434-V436 VanDerWaalsContact C-N 3.27Å; V434-V436 PolarHBondContact O-N 3.15Å; V436-M438 VanDerWaalsContact C-N 3.31Å; V436-M438 PolarHBondContact O-N 3.17Å; V436-M439 PolarHBondContact O-N 3.45Å; V436-D440 PolarHBondContact O-N 3.44Å |
| 437 | S | 95.5 | Very high | 95.6 | Very high | 29 Ų | 29 | 23.3 Ų | 23.3 | 20% | 0.203 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.4 | -39.2 | -179.3 | -177.7 | 0 | 0 | 0 | 0 | 113 | Y214 D433 V434 M439 D440 | Y214-S437 WeakPolarHBondContact OH-CA 3.27Å; D433-S437 PolarHBondContact O-N 2.99Å; D433-S437 VanDerWaalsContact O-N 3.13Å; V434-S437 WeakPolarHBondContact O-CB 3.21Å; V434-S437 PolarHBondContact O-N 3.39Å; S437-M439 PolarHBondContact O-N 2.93Å; S437-D440 PolarHBondContact O-N 2.94Å |
| 438 | M | 95.3 | Very high | 95.7 | Very high | 62 Ų | 62 | 22.9 Ų | 22.9 | 31% | 0.305 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62.6 | -27.6 | 176 | -67.8 | 179.1 | 76.3 | 0 | 0 | 112.8 | N390 V434 V436 S443 L447 | N390-M438 HydrophobicContact CB-CE 4.19Å; N390-M438 HydrophobicContact CB-SD 3.79Å; N390-M438 WeakPolarHBondContact ND2-CE 3.22Å; V434-M438 HydrophobicContact CG1-CG 4.29Å; V434-M438 HydrophobicContact CG1-SD 4.24Å; V434-M438 WeakPolarHBondContact O-CG 3.29Å; V434-M438 PolarHBondContact O-N 2.83Å; V436-M438 VanDerWaalsContact C-N 3.31Å; V436-M438 PolarHBondContact O-N 3.17Å; M438-S443 VanDerWaalsContact O-CB 3.25Å; M438-S443 WeakPolarHBondContact O-CB 3.38Å; M438-S443 PolarHBondContact O-OG 3.46Å; M438-L447 HydrophobicContact CB-CD1 4.22Å; M438-L447 HydrophobicContact CE-CD1 4.37Å; M438-L447 WeakPolarHBondContact O-CD1 3.33Å |
| 439 | M | 96.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.015 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -92 | -9.2 | -179 | -64.7 | -63.4 | 102.1 | 0 | 0 | 113.7 | V218 F357 L389 A435 V436 S437 G444 L447 M585 | V218-M439 HydrophobicContact CG1-CB 4.33Å; F357-M439 HydrophobicContact CD1-CB 4.02Å; F357-M439 WeakPolarHBondContact CD1-O 3.45Å; F357-M439 HydrophobicContact CD2-CB 3.95Å; F357-M439 HydrophobicContact CD2-CG 3.89Å; F357-M439 HydrophobicContact CD2-SD 3.57Å; F357-M439 VanDerWaalsContact CD2-SD 3.57Å; F357-M439 HydrophobicContact CE1-CB 3.71Å; F357-M439 HydrophobicContact CE2-CB 3.64Å; F357-M439 HydrophobicContact CE2-CG 3.59Å; F357-M439 HydrophobicContact CE2-SD 3.9Å; F357-M439 HydrophobicContact CG-CB 4.16Å; F357-M439 HydrophobicContact CG-SD 4.16Å; F357-M439 HydrophobicContact CZ-CB 3.52Å; F357-M439 HydrophobicContact CZ-CG 3.98Å; L389-M439 HydrophobicContact CD2-CG 4.13Å; L389-M439 HydrophobicContact CD2-SD 3.83Å; A435-M439 WeakPolarHBondContact O-CG 3.47Å; A435-M439 PolarHBondContact O-N 3.22Å; V436-M439 PolarHBondContact O-N 3.45Å; S437-M439 PolarHBondContact O-N 2.93Å; M439-G444 WeakPolarHBondContact O-CA 3.13Å; M439-L447 HydrophobicContact CE-CB 4.08Å; M439-L447 HydrophobicContact CE-CD1 3.37Å; M439-L447 HydrophobicContact CE-CG 4.37Å; M439-M585 HydrophobicContact CE-CE 3.72Å; M439-M585 HydrophobicContact CE-SD 3.38Å; M439-M585 WeakPolarHBondContact CE-SD 3.4Å; M439-M585 HydrophobicContact SD-CE 4.19Å; M439-M585 HydrophobicContact SD-SD 4.26Å |
| 440 | D | 94.9 | Very high | 95.5 | Very high | 48 Ų | 48 | 25.2 Ų | 25.2 | 26% | 0.257 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -72 | 142.2 | -177.5 | -165.4 | 13.4 | 0 | 0 | 0 | 111.8 | Y214 R217 V218 V436 S437 | Y214-D440 WeakPolarHBondContact CE2-OD2 3.31Å; Y214-D440 WeakPolarHBondContact OH-CB 3.41Å; Y214-D440 PolarHBondContact OH-OD2 3.31Å; R217-D440 IonicContact CZ-OD1 3.34Å; R217-D440 IonicContact CZ-OD2 2.55Å; R217-D440 IonicContact NH1-OD1 3.85Å; R217-D440 IonicContact NH1-OD2 3.59Å; R217-D440 VanDerWaalsContact NH2-CG 3.3Å; R217-D440 IonicContact NH2-OD1 3.77Å; R217-D440 PolarHBondContact NH2-OD1 3.11Å; R217-D440 IonicContact NH2-OD2 3.14Å; R217-D440 PolarHBondContact NH2-OD2 2.96Å; V218-D440 HydrophobicContact CG1-CB 4.39Å; V218-D440 HydrophobicContact CG2-CB 3.9Å; V436-D440 PolarHBondContact O-N 3.44Å; S437-D440 PolarHBondContact O-N 2.94Å |
| 441 | G | 91.5 | Very high | 95.5 | Very high | 45 Ų | 45 | 25.3 Ų | 25.3 | 46% | 0.464 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | -142.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S443 | G441-S443 PolarHBondContact O-N 2.95Š|
| 442 | N | 92.1 | Very high | 95.4 | Very high | 76 Ų | 76 | 24.6 Ų | 24.6 | 41% | 0.406 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -66 | -23.6 | -176.5 | -67.5 | -16.1 | 0 | 0 | 0 | 113.5 | H81 E82 G444 L445 S446 | H81-N442 PolarHBondContact O-ND2 3.02Å; E82-N442 CarbonylContact O-C 3.48Å; E82-N442 VanDerWaalsContact O-C 3.23Å; N442-G444 VanDerWaalsContact C-N 3.34Å; N442-G444 PolarHBondContact O-N 2.97Å; N442-L445 PolarHBondContact O-N 3.04Å; N442-S446 PolarHBondContact O-N 3.33Å |
| 443 | S | 93 | Very high | 95.3 | Very high | 22 Ų | 22 | 27 Ų | 27 | 15% | 0.154 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | -177.7 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | E82 M438 G441 L445 S446 L447 | E82-S443 WeakPolarHBondContact O-CA 3.38Å; E82-S443 PolarHBondContact O-N 3.5Å; M438-S443 VanDerWaalsContact O-CB 3.25Å; M438-S443 WeakPolarHBondContact O-CB 3.38Å; M438-S443 PolarHBondContact O-OG 3.46Å; G441-S443 PolarHBondContact O-N 2.95Å; S443-L445 VanDerWaalsContact C-N 3.33Å; S443-L445 PolarHBondContact O-N 3.23Å; S443-S446 PolarHBondContact O-N 3.1Å; S443-L447 WeakPolarHBondContact O-CB 3.26Å; S443-L447 VanDerWaalsContact O-CG 3.26Å; S443-L447 WeakPolarHBondContact O-CG 3.4Å; S443-L447 PolarHBondContact O-N 3.46Å |
| 444 | G | 95.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M439 N442 T448 | M439-G444 WeakPolarHBondContact O-CA 3.13Å; N442-G444 VanDerWaalsContact C-N 3.34Å; N442-G444 PolarHBondContact O-N 2.97Å; G444-T448 WeakPolarHBondContact O-CB 3.43Å; G444-T448 VanDerWaalsContact O-CG2 3.31Å; G444-T448 WeakPolarHBondContact O-CG2 3.15Å; G444-T448 PolarHBondContact O-N 2.94Å; G444-T448 VanDerWaalsContact O-N 3.09Å; G444-T448 PolarHBondContact O-OG1 2.86Å |
| 445 | L | 95.6 | Very high | 95.2 | Very high | 73 Ų | 73 | 26 Ų | 26 | 38% | 0.382 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -65.8 | -47.3 | 175.4 | 179.4 | 60.5 | 0 | 0 | 0 | 111.5 | F357 P359 N442 S443 L447 T448 Q449 | F357-L445 VanDerWaalsContact O-CA 3.29Å; F357-L445 WeakPolarHBondContact O-CA 3.44Å; P359-L445 HydrophobicContact CG-CD1 4.47Å; N442-L445 PolarHBondContact O-N 3.04Å; S443-L445 VanDerWaalsContact C-N 3.33Å; S443-L445 PolarHBondContact O-N 3.23Å; L445-L447 PolarHBondContact O-N 3.46Å; L445-T448 PolarHBondContact O-N 3.24Å; L445-T448 PolarHBondContact O-OG1 3.01Å; L445-T448 VanDerWaalsContact O-OG1 3.1Å; L445-Q449 WeakPolarHBondContact O-CB 3.47Å; L445-Q449 PolarHBondContact O-N 3.3Å |
| 446 | S | 93.7 | Very high | 95.2 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 11% | 0.112 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | -179.9 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | E82 R83 N442 S443 E450 | E82-S446 WeakPolarHBondContact O-CB 3.18Å; R83-S446 WeakPolarHBondContact CG-OG 2.98Å; R83-S446 PolarHBondContact NE-OG 3.35Å; N442-S446 PolarHBondContact O-N 3.33Å; S443-S446 PolarHBondContact O-N 3.1Å; S446-E450 PolarHBondContact O-N 3.06Å |
| 447 | L | 94.6 | Very high | 95.1 | Very high | 16 Ų | 16 | 28.4 Ų | 28.4 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.2 | -42.8 | -178.5 | -71.6 | 170.3 | 0 | 0 | 0 | 112.1 | M438 M439 S443 L445 V451 M585 | M438-L447 HydrophobicContact CB-CD1 4.22Å; M438-L447 HydrophobicContact CE-CD1 4.37Å; M438-L447 WeakPolarHBondContact O-CD1 3.33Å; M439-L447 HydrophobicContact CE-CB 4.08Å; M439-L447 HydrophobicContact CE-CD1 3.37Å; M439-L447 HydrophobicContact CE-CG 4.37Å; S443-L447 WeakPolarHBondContact O-CB 3.26Å; S443-L447 VanDerWaalsContact O-CG 3.26Å; S443-L447 WeakPolarHBondContact O-CG 3.4Å; S443-L447 PolarHBondContact O-N 3.46Å; L445-L447 PolarHBondContact O-N 3.46Å; L447-V451 WeakPolarHBondContact O-CG2 3.35Å; L447-V451 PolarHBondContact O-N 3.33Å; L447-M585 HydrophobicContact CB-CG 4.49Å; L447-M585 HydrophobicContact CB-SD 3.7Å; L447-M585 HydrophobicContact CD1-SD 4.31Å; L447-M585 HydrophobicContact CG-SD 4.49Å |
| 448 | T | 96.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 27 Ų | 27 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.4 | -38.8 | 176.6 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | F357 N358 G444 L445 V451 I452 | F357-T448 HydrophobicContact CB-CG2 4.13Å; N358-T448 WeakPolarHBondContact CB-OG1 3.47Å; N358-T448 PolarHBondContact ND2-OG1 3.14Å; G444-T448 WeakPolarHBondContact O-CB 3.43Å; G444-T448 VanDerWaalsContact O-CG2 3.31Å; G444-T448 WeakPolarHBondContact O-CG2 3.15Å; G444-T448 PolarHBondContact O-N 2.94Å; G444-T448 VanDerWaalsContact O-N 3.09Å; G444-T448 PolarHBondContact O-OG1 2.86Å; L445-T448 PolarHBondContact O-N 3.24Å; L445-T448 PolarHBondContact O-OG1 3.01Å; L445-T448 VanDerWaalsContact O-OG1 3.1Å; T448-V451 PolarHBondContact O-N 3.42Å; T448-I452 WeakPolarHBondContact O-CD1 3.24Å; T448-I452 WeakPolarHBondContact O-CG1 3.29Å; T448-I452 PolarHBondContact O-N 3.04Å |
| 449 | Q | 95.6 | Very high | 95.3 | Very high | 28 Ų | 28 | 24.1 Ų | 24.1 | 13% | 0.131 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 177.3 | -170.8 | 64.2 | 52.9 | 0 | 0 | 111.6 | N358 L445 V451 I452 D453 T505 | N358-Q449 PolarHBondContact ND2-OE1 2.6Å; L445-Q449 WeakPolarHBondContact O-CB 3.47Å; L445-Q449 PolarHBondContact O-N 3.3Å; Q449-V451 VanDerWaalsContact C-N 3.3Å; Q449-V451 PolarHBondContact O-N 3.04Å; Q449-I452 PolarHBondContact O-N 2.97Å; Q449-D453 PolarHBondContact NE2-OD1 3.14Å; Q449-D453 WeakPolarHBondContact O-CB 3.29Å; Q449-D453 PolarHBondContact O-N 2.79Å; Q449-T505 VanDerWaalsContact NE2-CB 3.33Å; Q449-T505 PolarHBondContact NE2-O 2.99Å; Q449-T505 PolarHBondContact NE2-OG1 2.91Å |
| 450 | E | 93.6 | Very high | 95.4 | Very high | 33 Ų | 33 | 24 Ų | 24 | 15% | 0.154 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.5 | -42.9 | 177 | 175 | 167.1 | 95.1 | 0 | 0 | 112.1 | R83 S446 D453 E454 R589 | R83-E450 IonicContact CZ-OE1 2.97Å; R83-E450 IonicContact CZ-OE2 3.67Å; R83-E450 IonicContact NH1-OE1 3.66Å; R83-E450 IonicContact NH2-OE1 3.26Å; R83-E450 PolarHBondContact NH2-OE1 2.95Å; R83-E450 IonicContact NH2-OE2 3.9Å; R83-E450 PolarHBondContact NH2-OE2 2.9Å; S446-E450 PolarHBondContact O-N 3.06Å; E450-D453 PolarHBondContact O-N 2.86Å; E450-E454 WeakPolarHBondContact O-CG 3.4Å; E450-E454 PolarHBondContact O-N 2.69Å; E450-R589 IonicContact OE2-CZ 3.01Å; E450-R589 VanDerWaalsContact OE2-CZ 3.26Å; E450-R589 IonicContact OE2-NE 3.78Å; E450-R589 PolarHBondContact OE2-NE 3.36Å; E450-R589 IonicContact OE2-NH2 2.77Å; E450-R589 PolarHBondContact OE2-NH2 2.98Å |
| 451 | V | 95.3 | Very high | 95.5 | Very high | 11 Ų | 11 | 22.4 Ų | 22.4 | 7% | 0.067 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.8 | -38.7 | 179.2 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | L447 T448 Q449 A455 I535 F583 M585 | L447-V451 WeakPolarHBondContact O-CG2 3.35Å; L447-V451 PolarHBondContact O-N 3.33Å; T448-V451 PolarHBondContact O-N 3.42Å; Q449-V451 VanDerWaalsContact C-N 3.3Å; Q449-V451 PolarHBondContact O-N 3.04Å; V451-A455 WeakPolarHBondContact O-CB 3.25Å; V451-A455 PolarHBondContact O-N 3Å; V451-I535 HydrophobicContact CG1-CB 4.02Å; V451-I535 HydrophobicContact CG1-CD1 4.28Å; V451-I535 HydrophobicContact CG1-CG2 3.81Å; V451-F583 HydrophobicContact CG1-CB 3.95Å; V451-F583 WeakPolarHBondContact CG1-O 3.31Å; V451-M585 HydrophobicContact CG2-CB 4.21Å; V451-M585 HydrophobicContact CG2-CG 3.7Å |
| 452 | I | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 174.8 | -69.2 | 160.4 | 0 | 0 | 0 | 110.1 | N358 I360 Y361 T448 Q449 E454 A455 V456 T505 P534 I535 | N358-I452 HydrophobicContact CB-CD1 4.25Å; N358-I452 WeakPolarHBondContact ND2-CD1 3.44Å; I360-I452 HydrophobicContact CG2-CD1 3.86Å; Y361-I452 HydrophobicContact CE2-CD1 4.14Å; T448-I452 WeakPolarHBondContact O-CD1 3.24Å; T448-I452 WeakPolarHBondContact O-CG1 3.29Å; T448-I452 PolarHBondContact O-N 3.04Å; Q449-I452 PolarHBondContact O-N 2.97Å; I452-E454 PolarHBondContact O-N 3.06Å; I452-A455 PolarHBondContact O-N 3.42Å; I452-V456 HydrophobicContact CG2-CG2 4.28Å; I452-V456 WeakPolarHBondContact O-CB 3.12Å; I452-V456 VanDerWaalsContact O-CG2 3.3Å; I452-V456 WeakPolarHBondContact O-CG2 3.46Å; I452-V456 PolarHBondContact O-N 3.18Å; I452-T505 HydrophobicContact CG2-CG2 4.06Å; I452-P534 HydrophobicContact CG2-CB 4.22Å; I452-P534 HydrophobicContact CG2-CG 4.49Å; I452-I535 HydrophobicContact CG1-CG2 3.74Å |
| 453 | D | 95.4 | Very high | 96 | Very high | 52 Ų | 52 | 17.2 Ų | 17.2 | 28% | 0.278 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -58.5 | -49.2 | 178.5 | -66.4 | -19 | 0 | 0 | 0 | 110.5 | Q449 E450 A455 V456 D457 T505 | Q449-D453 PolarHBondContact NE2-OD1 3.14Å; Q449-D453 WeakPolarHBondContact O-CB 3.29Å; Q449-D453 PolarHBondContact O-N 2.79Å; E450-D453 PolarHBondContact O-N 2.86Å; D453-A455 PolarHBondContact O-N 3.03Å; D453-V456 PolarHBondContact O-N 2.91Å; D453-D457 WeakPolarHBondContact O-CB 3.24Å; D453-D457 PolarHBondContact O-N 3.36Å; D453-T505 WeakPolarHBondContact OD1-CB 3.49Å; D453-T505 WeakPolarHBondContact OD1-CG2 3.11Å; D453-T505 PolarHBondContact OD1-OG1 2.82Å; D453-T505 VanDerWaalsContact OD1-OG1 3.07Å |
| 454 | E | 95.6 | Very high | 96.3 | Very high | 21 Ų | 21 | 21 Ų | 21 | 10% | 0.098 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | 177.5 | -71.6 | -70.9 | 149.4 | 0 | 0 | 113.4 | E450 I452 F458 F583 R589 G590 W592 | E450-E454 WeakPolarHBondContact O-CG 3.4Å; E450-E454 PolarHBondContact O-N 2.69Å; I452-E454 PolarHBondContact O-N 3.06Å; E454-F458 PolarHBondContact O-N 3.39Å; E454-F458 VanDerWaalsContact O-N 3.09Å; E454-F583 HydrophobicContact CB-CD1 4.37Å; E454-R589 VanDerWaalsContact OE1-CA 3.24Å; E454-R589 WeakPolarHBondContact OE1-CA 3.48Å; E454-R589 VanDerWaalsContact OE1-CB 3.25Å; E454-R589 WeakPolarHBondContact OE1-CB 3.46Å; E454-R589 VanDerWaalsContact OE1-CG 3.31Å; E454-R589 WeakPolarHBondContact OE1-CG 3.46Å; E454-G590 PolarHBondContact OE2-N 2.88Å; E454-W592 PolarHBondContact OE2-NE1 3.36Å; E454-W592 VanDerWaalsContact OE2-NE1 3.11Å |
| 455 | A | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.4 | -39.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V451 I452 D453 R459 P534 I535 V537 F583 | V451-A455 WeakPolarHBondContact O-CB 3.25Å; V451-A455 PolarHBondContact O-N 3Å; I452-A455 PolarHBondContact O-N 3.42Å; D453-A455 PolarHBondContact O-N 3.03Å; A455-R459 VanDerWaalsContact O-CG 3.27Å; A455-R459 WeakPolarHBondContact O-CG 3.41Å; A455-R459 PolarHBondContact O-N 2.83Å; A455-P534 WeakPolarHBondContact CB-O 3.48Å; A455-I535 HydrophobicContact CB-CB 4.4Å; A455-I535 HydrophobicContact CB-CG2 4.45Å; A455-V537 HydrophobicContact CB-CG2 4.07Å; A455-F583 HydrophobicContact CB-CB 4Å; A455-F583 HydrophobicContact CB-CD1 3.96Å; A455-F583 HydrophobicContact CB-CD2 4.39Å; A455-F583 HydrophobicContact CB-CG 3.86Å |
| 456 | V | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.4 | -44.6 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 111 | I452 D453 F458 R459 Q460 T501 L504 T505 W511 P534 | I452-V456 HydrophobicContact CG2-CG2 4.28Å; I452-V456 WeakPolarHBondContact O-CB 3.12Å; I452-V456 VanDerWaalsContact O-CG2 3.3Å; I452-V456 WeakPolarHBondContact O-CG2 3.46Å; I452-V456 PolarHBondContact O-N 3.18Å; D453-V456 PolarHBondContact O-N 2.91Å; V456-F458 VanDerWaalsContact C-N 3.3Å; V456-F458 PolarHBondContact O-N 2.89Å; V456-R459 PolarHBondContact O-N 2.98Å; V456-R459 VanDerWaalsContact O-N 3.12Å; V456-Q460 HydrophobicContact CG1-CG 4.21Å; V456-Q460 WeakPolarHBondContact O-CG 3.45Å; V456-Q460 PolarHBondContact O-N 3.26Å; V456-T501 HydrophobicContact CG1-CG2 4.14Å; V456-L504 HydrophobicContact CG1-CB 3.71Å; V456-L504 HydrophobicContact CG1-CD1 3.65Å; V456-L504 HydrophobicContact CG1-CG 4.35Å; V456-L504 HydrophobicContact CG2-CB 4.37Å; V456-T505 HydrophobicContact CB-CG2 3.73Å; V456-T505 HydrophobicContact CG1-CG2 3.91Å; V456-T505 HydrophobicContact CG2-CG2 3.71Å; V456-W511 HydrophobicContact CG2-CH2 4.07Å; V456-W511 HydrophobicContact CG2-CZ2 3.61Å; V456-P534 HydrophobicContact CG2-CB 4.48Å |
| 457 | D | 96.1 | Very high | 96.6 | Very high | 55 Ų | 55 | 26.5 Ų | 26.5 | 29% | 0.294 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -57.6 | -44.4 | 176.7 | -78 | -12.8 | 0 | 0 | 0 | 111.3 | D453 Q460 A461 W592 | D453-D457 WeakPolarHBondContact O-CB 3.24Å; D453-D457 PolarHBondContact O-N 3.36Å; D457-Q460 PolarHBondContact O-N 2.83Å; D457-A461 WeakPolarHBondContact O-CB 3.42Å; D457-A461 PolarHBondContact O-N 2.79Å; D457-W592 HydrophobicContact CB-CZ2 4.18Å |
| 458 | F | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 173.7 | 173.3 | -109 | 0 | 0 | 0 | 112.4 | E454 V456 Q460 A461 M462 V537 I539 F583 W592 L595 V596 | E454-F458 PolarHBondContact O-N 3.39Å; E454-F458 VanDerWaalsContact O-N 3.09Å; V456-F458 VanDerWaalsContact C-N 3.3Å; V456-F458 PolarHBondContact O-N 2.89Å; F458-Q460 VanDerWaalsContact C-N 3.34Å; F458-Q460 PolarHBondContact O-N 2.85Å; F458-A461 PolarHBondContact O-N 2.78Å; F458-M462 HydrophobicContact CD1-CG 4.46Å; F458-M462 HydrophobicContact CD2-CG 4.14Å; F458-M462 HydrophobicContact CE1-CG 4.03Å; F458-M462 HydrophobicContact CE2-CG 3.69Å; F458-M462 HydrophobicContact CE2-SD 3.88Å; F458-M462 HydrophobicContact CZ-CG 3.62Å; F458-M462 HydrophobicContact CZ-SD 4.04Å; F458-M462 WeakPolarHBondContact O-CG 3.48Å; F458-M462 PolarHBondContact O-N 2.65Å; F458-V537 HydrophobicContact CD1-CB 4.36Å; F458-V537 HydrophobicContact CD1-CG1 3.73Å; F458-V537 HydrophobicContact CD1-CG2 4.42Å; F458-V537 HydrophobicContact CE1-CB 4.35Å; F458-V537 HydrophobicContact CE1-CG1 3.6Å; F458-I539 HydrophobicContact CE1-CG2 4.22Å; F458-I539 HydrophobicContact CZ-CG2 4.25Å; F458-F583 HydrophobicContact CB-CE1 3.98Å; F458-F583 HydrophobicContact CB-CZ 3.67Å; F458-F583 AromaticContact CD1-CE2 3.8Å; F458-F583 HydrophobicContact CD1-CE2 3.8Å; F458-F583 AromaticContact CD1-CZ 3.5Å; F458-F583 HydrophobicContact CD1-CZ 3.5Å; F458-F583 VanDerWaalsContact CD1-CZ 3.5Å; F458-F583 HydrophobicContact CD2-CZ 4.4Å; F458-F583 HydrophobicContact CE1-CE2 4.26Å; F458-F583 HydrophobicContact CE1-CZ 4.23Å; F458-F583 HydrophobicContact CG-CE1 4.38Å; F458-F583 HydrophobicContact CG-CE2 4.36Å; F458-F583 AromaticContact CG-CZ 3.59Å; F458-F583 HydrophobicContact CG-CZ 3.59Å; F458-W592 HydrophobicContact CB-CB 3.89Å; F458-W592 HydrophobicContact CB-CD2 4.15Å; F458-W592 HydrophobicContact CB-CE3 4.47Å; F458-W592 HydrophobicContact CB-CG 3.89Å; F458-W592 HydrophobicContact CD2-CB 3.68Å; F458-W592 HydrophobicContact CD2-CD2 4.38Å; F458-W592 HydrophobicContact CD2-CE3 4.09Å; F458-W592 HydrophobicContact CD2-CG 4.27Å; F458-W592 HydrophobicContact CG-CB 4.02Å; F458-W592 HydrophobicContact CG-CG 4.49Å; F458-L595 HydrophobicContact CE1-CD2 4.28Å; F458-L595 HydrophobicContact CE2-CD2 3.69Å; F458-L595 HydrophobicContact CE2-CG 3.96Å; F458-L595 HydrophobicContact CZ-CD2 3.51Å; F458-L595 HydrophobicContact CZ-CG 4.1Å; F458-V596 HydrophobicContact CD2-CG2 3.77Å; F458-V596 HydrophobicContact CE2-CG2 3.63Å |
| 459 | R | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 177.9 | -73.2 | 171.4 | 179.4 | -82.4 | 7.3 | 111.8 | A455 V456 M462 A463 W480 N481 F496 D533 P534 K536 V537 | A455-R459 VanDerWaalsContact O-CG 3.27Å; A455-R459 WeakPolarHBondContact O-CG 3.41Å; A455-R459 PolarHBondContact O-N 2.83Å; V456-R459 PolarHBondContact O-N 2.98Å; V456-R459 VanDerWaalsContact O-N 3.12Å; R459-M462 PolarHBondContact O-N 2.71Å; R459-A463 WeakPolarHBondContact O-CB 3.12Å; R459-A463 PolarHBondContact O-N 3.21Å; R459-W480 PolarHBondContact NH1-O 3.17Å; R459-N481 PolarHBondContact NH1-OD1 3.11Å; R459-F496 HydrophobicContact CB-CE1 3.71Å; R459-F496 HydrophobicContact CB-CZ 3.89Å; R459-D533 PolarHBondContact NH2-O 3.46Å; R459-P534 PolarHBondContact NE-O 3.23Å; R459-P534 PolarHBondContact NH2-O 3.19Å; R459-P534 VanDerWaalsContact NH2-O 3.11Å; R459-K536 PolarHBondContact NH2-O 2.82Å; R459-V537 HydrophobicContact CG-CG1 3.78Å; R459-V537 HydrophobicContact CG-CG2 4.26Å |
| 460 | Q | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.5 | -42 | 176.9 | -70.5 | -163.8 | -58.5 | 0 | 0 | 111.4 | V456 D457 F458 M462 A463 R464 F496 A499 T501 L504 | V456-Q460 HydrophobicContact CG1-CG 4.21Å; V456-Q460 WeakPolarHBondContact O-CG 3.45Å; V456-Q460 PolarHBondContact O-N 3.26Å; D457-Q460 PolarHBondContact O-N 2.83Å; F458-Q460 VanDerWaalsContact C-N 3.34Å; F458-Q460 PolarHBondContact O-N 2.85Å; Q460-M462 PolarHBondContact O-N 3.33Å; Q460-A463 PolarHBondContact O-N 2.93Å; Q460-R464 WeakPolarHBondContact O-CG 3.46Å; Q460-R464 PolarHBondContact O-N 3.12Å; Q460-F496 HydrophobicContact CG-CD1 4.37Å; Q460-F496 HydrophobicContact CG-CE1 3.9Å; Q460-F496 PolarHBondContact NE2-O 2.74Å; Q460-A499 PolarHBondContact NE2-O 2.87Å; Q460-T501 PolarHBondContact OE1-OG1 3.13Å; Q460-T501 VanDerWaalsContact OE1-OG1 3.12Å; Q460-L504 HydrophobicContact CG-CD1 3.88Å |
| 461 | A | 96.9 | Very high | 97 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 12% | 0.124 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D457 F458 R464 L465 W592 | D457-A461 WeakPolarHBondContact O-CB 3.42Å; D457-A461 PolarHBondContact O-N 2.79Å; F458-A461 PolarHBondContact O-N 2.78Å; A461-R464 PolarHBondContact O-N 3.24Å; A461-L465 WeakPolarHBondContact O-CG 3.49Å; A461-L465 PolarHBondContact O-N 3.33Å; A461-W592 HydrophobicContact CB-CE3 4.46Å; A461-W592 HydrophobicContact CB-CH2 4.11Å; A461-W592 HydrophobicContact CB-CZ3 3.71Å |
| 462 | M | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 175 | -69.2 | -55.5 | -58.6 | 0 | 0 | 112.3 | F458 R459 Q460 L465 Y466 F476 F477 P479 I539 V596 L599 | F458-M462 HydrophobicContact CD1-CG 4.46Å; F458-M462 HydrophobicContact CD2-CG 4.14Å; F458-M462 HydrophobicContact CE1-CG 4.03Å; F458-M462 HydrophobicContact CE2-CG 3.69Å; F458-M462 HydrophobicContact CE2-SD 3.88Å; F458-M462 HydrophobicContact CZ-CG 3.62Å; F458-M462 HydrophobicContact CZ-SD 4.04Å; F458-M462 WeakPolarHBondContact O-CG 3.48Å; F458-M462 PolarHBondContact O-N 2.65Å; R459-M462 PolarHBondContact O-N 2.71Å; Q460-M462 PolarHBondContact O-N 3.33Å; M462-L465 PolarHBondContact O-N 3.43Å; M462-Y466 VanDerWaalsContact O-CB 3.3Å; M462-Y466 WeakPolarHBondContact O-CB 3.21Å; M462-Y466 PolarHBondContact O-N 3.25Å; M462-F476 HydrophobicContact CE-CD1 4.2Å; M462-F476 HydrophobicContact CE-CE1 3.53Å; M462-F476 HydrophobicContact CE-CZ 4.22Å; M462-F476 HydrophobicContact SD-CE1 4.24Å; M462-F477 HydrophobicContact CE-CB 3.66Å; M462-P479 HydrophobicContact CB-CB 4.21Å; M462-P479 HydrophobicContact CB-CG 4.2Å; M462-I539 HydrophobicContact CE-CG2 4.33Å; M462-I539 HydrophobicContact CG-CG2 4.44Å; M462-V596 HydrophobicContact SD-CG2 4.02Å; M462-L599 HydrophobicContact CE-CD1 3.89Å; M462-L599 HydrophobicContact SD-CD1 4Å |
| 463 | A | 98 | Very high | 96.9 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R459 Q460 Y466 K467 P479 F496 A497 | R459-A463 WeakPolarHBondContact O-CB 3.12Å; R459-A463 PolarHBondContact O-N 3.21Å; Q460-A463 PolarHBondContact O-N 2.93Å; A463-Y466 PolarHBondContact O-N 3.01Å; A463-K467 WeakPolarHBondContact O-CB 3.12Å; A463-K467 PolarHBondContact O-N 3.32Å; A463-P479 HydrophobicContact CB-CG 3.9Å; A463-F496 HydrophobicContact CB-CD1 4.12Å; A463-A497 HydrophobicContact CB-CB 3.8Å |
| 464 | R | 97.7 | Very high | 97 | Very high | 102 Ų | 102 | 47.1 Ų | 47.1 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -50.7 | 175.2 | -71.6 | 177.3 | -167.1 | 137.6 | 10.6 | 111.4 | Q460 A461 Y466 K467 E468 A497 | Q460-R464 WeakPolarHBondContact O-CG 3.46Å; Q460-R464 PolarHBondContact O-N 3.12Å; A461-R464 PolarHBondContact O-N 3.24Å; R464-Y466 VanDerWaalsContact C-N 3.34Å; R464-Y466 PolarHBondContact O-N 3.14Å; R464-K467 WeakPolarHBondContact O-CB 3.22Å; R464-K467 PolarHBondContact O-N 2.79Å; R464-K467 VanDerWaalsContact O-N 3.17Å; R464-E468 WeakPolarHBondContact O-CG 3.3Å; R464-E468 PolarHBondContact O-N 3.45Å; R464-A497 HydrophobicContact CG-CB 3.78Å; R464-A497 VanDerWaalsContact CZ-O 3.28Å; R464-A497 PolarHBondContact NE-O 3.25Å; R464-A497 PolarHBondContact NH2-O 2.8Å |
| 465 | L | 97.8 | Very high | 97.1 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 18% | 0.183 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 177.9 | -71.3 | 172.1 | 0 | 0 | 0 | 111.6 | A461 M462 K467 E468 F469 F476 V596 | A461-L465 WeakPolarHBondContact O-CG 3.49Å; A461-L465 PolarHBondContact O-N 3.33Å; M462-L465 PolarHBondContact O-N 3.43Å; L465-K467 VanDerWaalsContact C-N 3.31Å; L465-K467 PolarHBondContact O-N 3.01Å; L465-E468 PolarHBondContact O-N 3.32Å; L465-F469 HydrophobicContact CB-CD2 4.39Å; L465-F469 HydrophobicContact CB-CE2 4.5Å; L465-F469 HydrophobicContact CD2-CE2 4.33Å; L465-F469 WeakPolarHBondContact O-CB 3.36Å; L465-F469 WeakPolarHBondContact O-CD2 3.46Å; L465-F469 PolarHBondContact O-N 3.06Å; L465-F476 HydrophobicContact CB-CD1 3.71Å; L465-F476 HydrophobicContact CB-CE1 3.48Å; L465-F476 VanDerWaalsContact CB-CE1 3.48Å; L465-F476 HydrophobicContact CB-CZ 4.33Å; L465-F476 HydrophobicContact CD1-CE1 3.8Å; L465-F476 HydrophobicContact CD1-CZ 4.07Å; L465-F476 HydrophobicContact CG-CE1 4.28Å; L465-V596 HydrophobicContact CD1-CG1 3.47Å; L465-V596 VanDerWaalsContact CD1-CG1 3.47Å |
| 466 | Y | 97.8 | Very high | 97.1 | Very high | 76 Ų | 76 | 49 Ų | 49 | 30% | 0.298 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.8 | -46 | 175.2 | 175.9 | -105.9 | 0 | 0 | 0 | 111.8 | M462 A463 R464 T470 K478 | M462-Y466 VanDerWaalsContact O-CB 3.3Å; M462-Y466 WeakPolarHBondContact O-CB 3.21Å; M462-Y466 PolarHBondContact O-N 3.25Å; A463-Y466 PolarHBondContact O-N 3.01Å; R464-Y466 VanDerWaalsContact C-N 3.34Å; R464-Y466 PolarHBondContact O-N 3.14Å; Y466-T470 VanDerWaalsContact O-CB 3.22Å; Y466-T470 WeakPolarHBondContact O-CB 3.43Å; Y466-T470 PolarHBondContact O-N 3.29Å; Y466-T470 PolarHBondContact O-OG1 2.82Å; Y466-K478 HydrophobicContact CD1-CB 4.38Å; Y466-K478 HydrophobicContact CD1-CD 4.49Å; Y466-K478 HydrophobicContact CD1-CG 4.08Å; Y466-K478 HydrophobicContact CD2-CB 3.81Å; Y466-K478 HydrophobicContact CD2-CG 4.39Å; Y466-K478 HydrophobicContact CE1-CB 4.39Å; Y466-K478 HydrophobicContact CE1-CD 3.9Å; Y466-K478 HydrophobicContact CE1-CG 3.98Å; Y466-K478 HydrophobicContact CE2-CB 3.84Å; Y466-K478 HydrophobicContact CE2-CD 4.38Å; Y466-K478 HydrophobicContact CE2-CG 4.33Å; Y466-K478 HydrophobicContact CG-CB 4.09Å; Y466-K478 HydrophobicContact CG-CG 4.28Å |
| 467 | K | 96.7 | Very high | 97.2 | Very high | 94 Ų | 94 | 49 Ų | 49 | 41% | 0.409 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 178.1 | -177.5 | 175.9 | 177.9 | 171.2 | 0 | 112.3 | A463 R464 L465 A471 D495 D498 | A463-K467 WeakPolarHBondContact O-CB 3.12Å; A463-K467 PolarHBondContact O-N 3.32Å; R464-K467 WeakPolarHBondContact O-CB 3.22Å; R464-K467 PolarHBondContact O-N 2.79Å; R464-K467 VanDerWaalsContact O-N 3.17Å; L465-K467 VanDerWaalsContact C-N 3.31Å; L465-K467 PolarHBondContact O-N 3.01Å; K467-A471 WeakPolarHBondContact O-CB 3.48Å; K467-A471 PolarHBondContact O-N 2.91Å; K467-D495 IonicContact NZ-OD2 2.96Å; K467-D495 PolarHBondContact NZ-OD2 3.21Å; K467-D498 IonicContact NZ-OD2 2.59Å; K467-D498 PolarHBondContact NZ-OD2 3.47Å |
| 468 | E | 97.3 | Very high | 97.2 | Very high | 115 Ų | 115 | 48.7 Ų | 48.7 | 54% | 0.537 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.8 | -52.9 | 178.1 | -73.3 | 172.4 | -170.1 | 0 | 0 | 111.8 | R464 L465 T470 A471 D472 | R464-E468 WeakPolarHBondContact O-CG 3.3Å; R464-E468 PolarHBondContact O-N 3.45Å; L465-E468 PolarHBondContact O-N 3.32Å; E468-T470 VanDerWaalsContact C-N 3.33Å; E468-T470 PolarHBondContact O-N 3.39Å; E468-A471 WeakPolarHBondContact O-CB 3.37Å; E468-A471 PolarHBondContact O-N 3Å; E468-D472 PolarHBondContact O-N 3.28Å |
| 469 | F | 97.6 | Very high | 97.3 | Very high | 55 Ų | 55 | 49 Ų | 49 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 177.9 | -80.3 | -68.6 | 0 | 0 | 0 | 112.2 | L465 A471 D472 G473 S474 F476 K603 | L465-F469 HydrophobicContact CB-CD2 4.39Å; L465-F469 HydrophobicContact CB-CE2 4.5Å; L465-F469 HydrophobicContact CD2-CE2 4.33Å; L465-F469 WeakPolarHBondContact O-CB 3.36Å; L465-F469 WeakPolarHBondContact O-CD2 3.46Å; L465-F469 PolarHBondContact O-N 3.06Å; F469-A471 VanDerWaalsContact C-N 3.33Å; F469-A471 PolarHBondContact O-N 3.39Å; F469-D472 PolarHBondContact O-N 3Å; F469-G473 PolarHBondContact O-N 2.92Å; F469-S474 CarbonylContact C-O 3.54Å; F469-S474 VanDerWaalsContact C-O 3.28Å; F469-S474 CarbonylContact O-C 3.59Å; F469-S474 WeakPolarHBondContact O-CA 3.24Å; F469-S474 WeakPolarHBondContact O-CB 3.37Å; F469-S474 PolarHBondContact O-N 3.35Å; F469-F476 HydrophobicContact CB-CB 3.81Å; F469-F476 HydrophobicContact CD2-CB 3.63Å; F469-F476 HydrophobicContact CD2-CD1 4.01Å; F469-F476 AromaticContact CD2-CD2 3.65Å; F469-F476 HydrophobicContact CD2-CD2 3.65Å; F469-F476 HydrophobicContact CD2-CE2 4.29Å; F469-F476 AromaticContact CD2-CG 3.48Å; F469-F476 HydrophobicContact CD2-CG 3.48Å; F469-F476 VanDerWaalsContact CD2-CG 3.48Å; F469-F476 HydrophobicContact CE2-CD1 4.39Å; F469-F476 AromaticContact CE2-CD2 3.67Å; F469-F476 HydrophobicContact CE2-CD2 3.67Å; F469-F476 AromaticContact CE2-CE2 3.88Å; F469-F476 HydrophobicContact CE2-CE2 3.88Å; F469-F476 AromaticContact CE2-CG 3.94Å; F469-F476 HydrophobicContact CE2-CG 3.94Å; F469-F476 HydrophobicContact CE2-CZ 4.32Å; F469-F476 HydrophobicContact CG-CB 3.94Å; F469-F476 HydrophobicContact CG-CD2 4.43Å; F469-F476 HydrophobicContact CG-CG 4.27Å; F469-F476 HydrophobicContact CZ-CD2 4.45Å; F469-K603 HydrophobicContact CD1-CD 4.42Å; F469-K603 HydrophobicContact CE1-CD 4.16Å; F469-K603 HydrophobicContact CZ-CD 4.3Å |
| 470 | T | 95.6 | Very high | 97.3 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 177.9 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | Y466 E468 D472 G473 S474 | Y466-T470 VanDerWaalsContact O-CB 3.22Å; Y466-T470 WeakPolarHBondContact O-CB 3.43Å; Y466-T470 PolarHBondContact O-N 3.29Å; Y466-T470 PolarHBondContact O-OG1 2.82Å; E468-T470 VanDerWaalsContact C-N 3.33Å; E468-T470 PolarHBondContact O-N 3.39Å; T470-D472 PolarHBondContact O-N 3.48Å; T470-G473 PolarHBondContact O-N 3.26Å; T470-S474 WeakPolarHBondContact CA-O 3.3Å; T470-S474 PolarHBondContact N-O 3.24Å |
| 471 | A | 96.6 | Very high | 97.2 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 70% | 0.702 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.5 | -31.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K467 E468 F469 G473 | K467-A471 WeakPolarHBondContact O-CB 3.48Å; K467-A471 PolarHBondContact O-N 2.91Å; E468-A471 WeakPolarHBondContact O-CB 3.37Å; E468-A471 PolarHBondContact O-N 3Å; F469-A471 VanDerWaalsContact C-N 3.33Å; F469-A471 PolarHBondContact O-N 3.39Å; A471-G473 PolarHBondContact O-N 2.95Å |
| 472 | D | 96.5 | Very high | 97.2 | Very high | 141 Ų | 141 | 49.1 Ų | 49.1 | 75% | 0.754 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 5.2 | 174.3 | -70.7 | -18.2 | 0 | 0 | 0 | 113.4 | E468 F469 T470 S474 | E468-D472 PolarHBondContact O-N 3.28Å; F469-D472 PolarHBondContact O-N 3Å; T470-D472 PolarHBondContact O-N 3.48Å; D472-S474 VanDerWaalsContact C-N 3.27Å; D472-S474 PolarHBondContact O-N 3.33Å |
| 473 | G | 95.9 | Very high | 97.1 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 78% | 0.784 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 20.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F469 T470 A471 | F469-G473 PolarHBondContact O-N 2.92Å; T470-G473 PolarHBondContact O-N 3.26Å; A471-G473 PolarHBondContact O-N 2.95Å |
| 474 | S | 96.6 | Very high | 97 | Very high | 40 Ų | 40 | 56.7 Ų | 56.7 | 28% | 0.28 | 31% | 0.308 | S | S | . | . | trans | -109.1 | 159.5 | 178.3 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | F469 T470 D472 K603 | F469-S474 CarbonylContact C-O 3.54Å; F469-S474 VanDerWaalsContact C-O 3.28Å; F469-S474 CarbonylContact O-C 3.59Å; F469-S474 WeakPolarHBondContact O-CA 3.24Å; F469-S474 WeakPolarHBondContact O-CB 3.37Å; F469-S474 PolarHBondContact O-N 3.35Å; T470-S474 WeakPolarHBondContact CA-O 3.3Å; T470-S474 PolarHBondContact N-O 3.24Å; D472-S474 VanDerWaalsContact C-N 3.27Å; D472-S474 PolarHBondContact O-N 3.33Å; S474-K603 WeakPolarHBondContact OG-CE 3.23Å; S474-K603 PolarHBondContact OG-NZ 3.06Å | ||
| 475 | W | 97.1 | Very high | 97 | Very high | 56 Ų | 56 | 52 Ų | 52 | 21% | 0.212 | 29% | 0.29 | C | S | . | . | trans | -86.2 | 154.8 | 173.8 | 72.7 | -86.5 | 0 | 0 | 0 | 112 | F477 P542 V555 F602 K603 Y606 D607 | W475-F477 HydrophobicContact CH2-CE2 4.46Å; W475-F477 HydrophobicContact CH2-CZ 4.18Å; W475-F477 HydrophobicContact CZ3-CE1 4.14Å; W475-F477 HydrophobicContact CZ3-CE2 4.15Å; W475-F477 AromaticContact CZ3-CZ 3.91Å; W475-F477 HydrophobicContact CZ3-CZ 3.91Å; W475-P542 HydrophobicContact CB-CG 4.36Å; W475-P542 HydrophobicContact CD2-CG 4.13Å; W475-P542 HydrophobicContact CE3-CG 3.58Å; W475-P542 HydrophobicContact CG-CG 4.48Å; W475-P542 HydrophobicContact CZ3-CG 4.21Å; W475-V555 HydrophobicContact CD2-CG2 4.32Å; W475-V555 HydrophobicContact CE3-CG2 4.14Å; W475-V555 HydrophobicContact CH2-CG1 4.23Å; W475-V555 HydrophobicContact CH2-CG2 3.79Å; W475-V555 HydrophobicContact CZ2-CG2 3.99Å; W475-V555 HydrophobicContact CZ3-CB 4.4Å; W475-V555 HydrophobicContact CZ3-CG1 4.41Å; W475-V555 HydrophobicContact CZ3-CG2 3.87Å; W475-F602 HydrophobicContact CH2-CD1 4.09Å; W475-F602 AromaticContact CH2-CE1 3.93Å; W475-F602 HydrophobicContact CH2-CE1 3.93Å; W475-K603 HydrophobicContact CH2-CB 4.11Å; W475-K603 HydrophobicContact CH2-CG 4.31Å; W475-K603 HydrophobicContact CZ2-CB 4.09Å; W475-K603 HydrophobicContact CZ2-CD 4.38Å; W475-K603 HydrophobicContact CZ2-CG 3.86Å; W475-K603 VanDerWaalsContact NE1-NZ 3.18Å; W475-K603 WeakPolarHBondContact O-CD 3.35Å; W475-K603 WeakPolarHBondContact O-CE 3.41Å; W475-K603 PolarHBondContact O-NZ 3.35Å; W475-Y606 HydrophobicContact CH2-CD1 4.42Å; W475-Y606 AromaticContact CZ2-CD1 3.59Å; W475-Y606 HydrophobicContact CZ2-CD1 3.59Å; W475-Y606 HydrophobicContact CZ2-CE1 4.25Å; W475-Y606 HydrophobicContact CZ2-CG 4.18Å; W475-D607 PolarHBondContact NE1-OD1 2.93Å | ||
| 476 | F | 98 | Very high | 96.9 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 2% | 0.022 | 30% | 0.299 | C | S | . | . | trans | -155.9 | 174.6 | 163.8 | -161.9 | -118.3 | 0 | 0 | 0 | 110.6 | M462 L465 F469 L599 K603 | M462-F476 HydrophobicContact CE-CD1 4.2Å; M462-F476 HydrophobicContact CE-CE1 3.53Å; M462-F476 HydrophobicContact CE-CZ 4.22Å; M462-F476 HydrophobicContact SD-CE1 4.24Å; L465-F476 HydrophobicContact CB-CD1 3.71Å; L465-F476 HydrophobicContact CB-CE1 3.48Å; L465-F476 VanDerWaalsContact CB-CE1 3.48Å; L465-F476 HydrophobicContact CB-CZ 4.33Å; L465-F476 HydrophobicContact CD1-CE1 3.8Å; L465-F476 HydrophobicContact CD1-CZ 4.07Å; L465-F476 HydrophobicContact CG-CE1 4.28Å; F469-F476 HydrophobicContact CB-CB 3.81Å; F469-F476 HydrophobicContact CD2-CB 3.63Å; F469-F476 HydrophobicContact CD2-CD1 4.01Å; F469-F476 AromaticContact CD2-CD2 3.65Å; F469-F476 HydrophobicContact CD2-CD2 3.65Å; F469-F476 HydrophobicContact CD2-CE2 4.29Å; F469-F476 AromaticContact CD2-CG 3.48Å; F469-F476 HydrophobicContact CD2-CG 3.48Å; F469-F476 VanDerWaalsContact CD2-CG 3.48Å; F469-F476 HydrophobicContact CE2-CD1 4.39Å; F469-F476 AromaticContact CE2-CD2 3.67Å; F469-F476 HydrophobicContact CE2-CD2 3.67Å; F469-F476 AromaticContact CE2-CE2 3.88Å; F469-F476 HydrophobicContact CE2-CE2 3.88Å; F469-F476 AromaticContact CE2-CG 3.94Å; F469-F476 HydrophobicContact CE2-CG 3.94Å; F469-F476 HydrophobicContact CE2-CZ 4.32Å; F469-F476 HydrophobicContact CG-CB 3.94Å; F469-F476 HydrophobicContact CG-CD2 4.43Å; F469-F476 HydrophobicContact CG-CG 4.27Å; F469-F476 HydrophobicContact CZ-CD2 4.45Å; F476-L599 HydrophobicContact CZ-CB 4.44Å; F476-K603 HydrophobicContact CD2-CD 3.66Å; F476-K603 HydrophobicContact CE2-CD 4.24Å | ||
| 477 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 133.6 | 176.4 | -55.5 | -77.9 | 0 | 0 | 0 | 111.5 | M462 W475 I539 L540 A541 V560 L599 F602 | M462-F477 HydrophobicContact CE-CB 3.66Å; W475-F477 HydrophobicContact CH2-CE2 4.46Å; W475-F477 HydrophobicContact CH2-CZ 4.18Å; W475-F477 HydrophobicContact CZ3-CE1 4.14Å; W475-F477 HydrophobicContact CZ3-CE2 4.15Å; W475-F477 AromaticContact CZ3-CZ 3.91Å; W475-F477 HydrophobicContact CZ3-CZ 3.91Å; F477-I539 HydrophobicContact CB-CB 4.42Å; F477-I539 HydrophobicContact CB-CD1 4.26Å; F477-I539 HydrophobicContact CD1-CD1 4.37Å; F477-I539 HydrophobicContact CG-CD1 4.24Å; F477-L540 CarbonylContact C-O 3.38Å; F477-L540 VanDerWaalsContact CA-O 3.31Å; F477-L540 WeakPolarHBondContact CA-O 3.49Å; F477-A541 HydrophobicContact CD1-CB 4.03Å; F477-A541 HydrophobicContact CE1-CB 3.94Å; F477-V560 HydrophobicContact CE1-CG1 4.08Å; F477-V560 HydrophobicContact CE1-CG2 3.84Å; F477-V560 HydrophobicContact CZ-CG1 3.84Å; F477-V560 HydrophobicContact CZ-CG2 3.92Å; F477-L599 HydrophobicContact CD2-CB 4.04Å; F477-L599 HydrophobicContact CD2-CD1 4.43Å; F477-L599 HydrophobicContact CD2-CD2 3.97Å; F477-L599 HydrophobicContact CD2-CG 4.36Å; F477-L599 HydrophobicContact CE2-CB 3.98Å; F477-L599 HydrophobicContact CE2-CD2 3.71Å; F477-L599 HydrophobicContact CE2-CG 4.37Å; F477-L599 HydrophobicContact CZ-CD2 4.14Å; F477-F602 HydrophobicContact CE2-CD1 4.3Å; F477-F602 AromaticContact CZ-CD1 3.81Å; F477-F602 HydrophobicContact CZ-CD1 3.81Å; F477-F602 HydrophobicContact CZ-CE1 4.16Å |
| 478 | K | 97.5 | Very high | 96.7 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.8 | 179 | -176.6 | 179.4 | -179.1 | 173.2 | 0 | 110.4 | Y466 E483 I539 L540 | Y466-K478 HydrophobicContact CD1-CB 4.38Å; Y466-K478 HydrophobicContact CD1-CD 4.49Å; Y466-K478 HydrophobicContact CD1-CG 4.08Å; Y466-K478 HydrophobicContact CD2-CB 3.81Å; Y466-K478 HydrophobicContact CD2-CG 4.39Å; Y466-K478 HydrophobicContact CE1-CB 4.39Å; Y466-K478 HydrophobicContact CE1-CD 3.9Å; Y466-K478 HydrophobicContact CE1-CG 3.98Å; Y466-K478 HydrophobicContact CE2-CB 3.84Å; Y466-K478 HydrophobicContact CE2-CD 4.38Å; Y466-K478 HydrophobicContact CE2-CG 4.33Å; Y466-K478 HydrophobicContact CG-CB 4.09Å; Y466-K478 HydrophobicContact CG-CG 4.28Å; K478-E483 WeakPolarHBondContact CE-OE1 3.5Å; K478-E483 IonicContact NZ-OE1 3.76Å; K478-E483 PolarHBondContact NZ-OE1 3.02Å; K478-I539 CarbonylContact O-C 3.48Å; K478-I539 WeakPolarHBondContact O-CA 3.37Å; K478-L540 HydrophobicContact CB-CB 4.45Å; K478-L540 PolarHBondContact N-O 3.18Å; K478-L540 PolarHBondContact O-N 2.95Å |
| 479 | P | 97.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 138.9 | 172.3 | 31.7 | -34.7 | 0 | 0 | 0 | 110.5 | M462 A463 N481 | M462-P479 HydrophobicContact CB-CB 4.21Å; M462-P479 HydrophobicContact CB-CG 4.2Å; A463-P479 HydrophobicContact CB-CG 3.9Å; P479-N481 WeakPolarHBondContact CB-OD1 3.5Å; P479-N481 PolarHBondContact O-N 3.36Å |
| 480 | W | 97.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.011 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -84.4 | 93.8 | 174.2 | -172.5 | 64 | 0 | 0 | 0 | 109.8 | I282 V327 R459 M513 W519 H520 F522 L532 S538 L540 | I282-W480 HydrophobicContact CD1-CD2 3.67Å; I282-W480 HydrophobicContact CD1-CE3 3.96Å; I282-W480 HydrophobicContact CD1-CG 4.16Å; I282-W480 HydrophobicContact CD1-CH2 4.26Å; I282-W480 HydrophobicContact CD1-CZ2 3.99Å; I282-W480 HydrophobicContact CD1-CZ3 4.23Å; I282-W480 HydrophobicContact CG2-CH2 3.64Å; I282-W480 HydrophobicContact CG2-CZ2 4.08Å; I282-W480 HydrophobicContact CG2-CZ3 3.98Å; V327-W480 HydrophobicContact CG2-CH2 4.29Å; R459-W480 PolarHBondContact NH1-O 3.17Å; W480-M513 HydrophobicContact CH2-CE 4.19Å; W480-W519 HydrophobicContact CD2-CZ3 4.14Å; W480-W519 AromaticContact CE2-CZ3 3.91Å; W480-W519 HydrophobicContact CZ2-CZ3 4.16Å; W480-W519 PolarHBondContact NE1-O 3.18Å; W480-H520 HydrophobicContact CZ2-CB 4.1Å; W480-F522 HydrophobicContact CH2-CE2 4.08Å; W480-F522 HydrophobicContact CH2-CZ 4.45Å; W480-F522 AromaticContact CZ2-CE2 4Å; W480-F522 HydrophobicContact CZ2-CE2 4Å; W480-F522 HydrophobicContact CZ2-CZ 4.42Å; W480-L532 HydrophobicContact CE3-CD1 4.03Å; W480-L532 HydrophobicContact CE3-CD2 4.31Å; W480-L532 HydrophobicContact CH2-CD1 4.37Å; W480-L532 HydrophobicContact CZ3-CD1 3.52Å; W480-L532 HydrophobicContact CZ3-CD2 4.45Å; W480-L532 WeakPolarHBondContact O-CD2 3.4Å; W480-S538 PolarHBondContact N-O 3.03Å; W480-L540 HydrophobicContact CB-CD1 4.18Å; W480-L540 HydrophobicContact CB-CD2 4.21Å; W480-L540 HydrophobicContact CB-CG 4.05Å; W480-L540 HydrophobicContact CG-CD1 4.41Å; W480-L540 HydrophobicContact CG-CD2 4.49Å |
| 481 | N | 97.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -161 | 180 | 172.8 | 48.5 | -116.5 | 0 | 0 | 0 | 109.8 | R459 P479 F496 W511 W519 L532 | R459-N481 PolarHBondContact NH1-OD1 3.11Å; P479-N481 WeakPolarHBondContact CB-OD1 3.5Å; P479-N481 PolarHBondContact O-N 3.36Å; N481-F496 HydrophobicContact CB-CE2 4.45Å; N481-W511 HydrophobicContact CB-CZ3 4.14Å; N481-W519 VanDerWaalsContact CA-CZ3 3.46Å; N481-L532 HydrophobicContact CB-CD2 4.13Å |
| 482 | K | 96.5 | Very high | 96.5 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | trans | -52.4 | 138.6 | 168.4 | -71.1 | -171.5 | -178.1 | -176.5 | 0 | 111 | V485 F496 D509 C510 V512 H514 E517 W519 | K482-V485 HydrophobicContact CB-CG1 4.11Å; K482-V485 HydrophobicContact CD-CG1 4.32Å; K482-F496 WeakPolarHBondContact O-CB 3.23Å; K482-F496 WeakPolarHBondContact O-CD2 3.42Å; K482-F496 WeakPolarHBondContact O-CG 3.31Å; K482-D509 PolarHBondContact NZ-O 3.43Å; K482-C510 WeakPolarHBondContact CD-O 3.28Å; K482-V512 WeakPolarHBondContact CE-O 2.94Å; K482-V512 PolarHBondContact NZ-O 3.29Å; K482-H514 PolarHBondContact NZ-CD2 3.2Å; K482-H514 PolarHBondContact NZ-NE2 2.88Å; K482-H514 VanDerWaalsContact NZ-NE2 3.11Å; K482-E517 VanDerWaalsContact CE-OE1 3.3Å; K482-E517 WeakPolarHBondContact CE-OE1 3.35Å; K482-E517 VanDerWaalsContact CE-OE2 3.3Å; K482-E517 WeakPolarHBondContact CE-OE2 3.42Å; K482-E517 IonicContact NZ-OE1 3.43Å; K482-E517 PolarHBondContact NZ-OE1 3.49Å; K482-E517 IonicContact NZ-OE2 2.66Å; K482-W519 HydrophobicContact CG-CD2 4.43Å; K482-W519 HydrophobicContact CG-CZ2 3.98Å | ||
| 483 | E | 94.7 | Very high | 96.5 | Very high | 92 Ų | 92 | 52.2 Ų | 52.2 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -85.2 | -30.2 | 173.3 | -64.9 | 179.4 | -167 | 0 | 0 | 112.2 | K478 F496 | K478-E483 WeakPolarHBondContact CE-OE1 3.5Å; K478-E483 IonicContact NZ-OE1 3.76Å; K478-E483 PolarHBondContact NZ-OE1 3.02Å; E483-F496 WeakPolarHBondContact O-CB 3.41Å; E483-F496 PolarHBondContact O-N 2.99Å |
| 484 | V | 96.5 | Very high | 96.6 | Very high | 80 Ų | 80 | 50.6 Ų | 50.6 | 49% | 0.485 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 134 | 177.6 | 178.3 | 0 | 0 | 0 | 0 | 108 | Y494 | V484-Y494 CarbonylContact C-O 3.59Å; V484-Y494 VanDerWaalsContact CA-O 3.28Å; V484-Y494 WeakPolarHBondContact CA-O 3.45Å; V484-Y494 WeakPolarHBondContact CG1-O 3.43Å |
| 485 | V | 97.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 146.1 | 174.7 | -63.9 | 0 | 0 | 0 | 0 | 109.8 | K482 T493 Y494 F496 A499 L503 L504 C510 | K482-V485 HydrophobicContact CB-CG1 4.11Å; K482-V485 HydrophobicContact CD-CG1 4.32Å; V485-T493 CarbonylContact O-C 3.6Å; V485-T493 WeakPolarHBondContact O-CA 3.37Å; V485-Y494 PolarHBondContact N-O 2.92Å; V485-Y494 PolarHBondContact O-N 2.96Å; V485-F496 HydrophobicContact CG1-CD2 3.98Å; V485-A499 HydrophobicContact CG2-CB 3.56Å; V485-L503 HydrophobicContact CG2-CD2 4.39Å; V485-L504 HydrophobicContact CB-CD2 4.37Å; V485-L504 HydrophobicContact CG1-CD2 3.94Å; V485-L504 HydrophobicContact CG2-CD2 3.92Å; V485-C510 HydrophobicContact CG1-CB 4.31Å |
| 486 | T | 96.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 49.1 Ų | 49.1 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.3 | 175.6 | -52.8 | 0 | 0 | 0 | 0 | 108.4 | P488 T493 | T486-P488 VanDerWaalsContact O-CD 3.26Å; T486-P488 WeakPolarHBondContact O-CD 3.23Å; T486-T493 HydrophobicContact CG2-CG2 4.14Å |
| 487 | D | 96.4 | Very high | 96.6 | Very high | 20 Ų | 20 | 48.9 Ų | 48.9 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | trans | -74.7 | 113.1 | 169 | 173.4 | -1.2 | 0 | 0 | 0 | 109 | Q489 T490 G491 K492 Y494 L503 | D487-Q489 PolarHBondContact O-N 3.02Å; D487-Q489 WeakPolarHBondContact OD1-CB 3.46Å; D487-Q489 PolarHBondContact OD1-N 3.47Å; D487-T490 WeakPolarHBondContact CB-OG1 3.46Å; D487-T490 PolarHBondContact O-N 2.87Å; D487-T490 VanDerWaalsContact OD2-CG2 3.26Å; D487-T490 WeakPolarHBondContact OD2-CG2 3.48Å; D487-T490 PolarHBondContact OD2-OG1 3.35Å; D487-G491 VanDerWaalsContact O-CA 3.3Å; D487-G491 WeakPolarHBondContact O-CA 3.41Å; D487-G491 PolarHBondContact O-N 2.91Å; D487-K492 PolarHBondContact N-O 3.44Å; D487-Y494 HydrophobicContact CB-CE2 4.18Å; D487-L503 HydrophobicContact CB-CD1 3.86Å; D487-L503 HydrophobicContact CB-CD2 3.9Å | ||
| 488 | P | 94 | Very high | 96.6 | Very high | 74 Ų | 74 | 53.4 Ų | 53.4 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.8 | -176.9 | 27.8 | -35.2 | 0 | 0 | 0 | 113 | T486 V507 D509 | T486-P488 VanDerWaalsContact O-CD 3.26Å; T486-P488 WeakPolarHBondContact O-CD 3.23Å; P488-V507 HydrophobicContact CG-CG1 3.67Å; P488-D509 HydrophobicContact CG-CB 4.47Å |
| 489 | Q | 93.6 | Very high | 96.6 | Very high | 171 Ų | 171 | 51.3 Ų | 51.3 | 80% | 0.799 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -36.7 | 178.9 | -59.5 | -175.8 | 5.1 | 0 | 0 | 112.3 | D487 | D487-Q489 PolarHBondContact O-N 3.02Å; D487-Q489 WeakPolarHBondContact OD1-CB 3.46Å; D487-Q489 PolarHBondContact OD1-N 3.47Å |
| 490 | T | 95.6 | Very high | 96.6 | Very high | 92 Ų | 92 | 53.8 Ų | 53.8 | 56% | 0.564 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -15.9 | -175.7 | 64 | 0 | 0 | 0 | 0 | 113.9 | D487 K492 | D487-T490 WeakPolarHBondContact CB-OG1 3.46Å; D487-T490 PolarHBondContact O-N 2.87Å; D487-T490 VanDerWaalsContact OD2-CG2 3.26Å; D487-T490 WeakPolarHBondContact OD2-CG2 3.48Å; D487-T490 PolarHBondContact OD2-OG1 3.35Å; T490-K492 PolarHBondContact O-N 3.22Å; T490-K492 WeakPolarHBondContact OG1-CB 3.39Å; T490-K492 PolarHBondContact OG1-N 3.36Å |
| 491 | G | 95.6 | Very high | 96.6 | Very high | 53 Ų | 53 | 56.1 Ų | 56.1 | 55% | 0.546 | 32% | 0.317 | S | S | . | . | trans | 69.5 | 5.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D487 | D487-G491 VanDerWaalsContact O-CA 3.3Å; D487-G491 WeakPolarHBondContact O-CA 3.41Å; D487-G491 PolarHBondContact O-N 2.91Å | ||
| 492 | K | 96.8 | Very high | 96.5 | Very high | 113 Ų | 113 | 62.3 Ų | 62.3 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | trans | -79.6 | 131.7 | -177.8 | -177 | 169.3 | 162.8 | -154 | 0 | 110.4 | D487 T490 Y494 | D487-K492 PolarHBondContact N-O 3.44Å; T490-K492 PolarHBondContact O-N 3.22Å; T490-K492 WeakPolarHBondContact OG1-CB 3.39Å; T490-K492 PolarHBondContact OG1-N 3.36Å; K492-Y494 HydrophobicContact CB-CE2 3.98Å; K492-Y494 HydrophobicContact CD-CE1 4.07Å; K492-Y494 HydrophobicContact CD-CE2 4.15Å; K492-Y494 VanDerWaalsContact CD-OH 3.25Å; K492-Y494 WeakPolarHBondContact CD-OH 3.33Å; K492-Y494 VanDerWaalsContact CE-CZ 3.44Å; K492-Y494 WeakPolarHBondContact CE-OH 3.5Å; K492-Y494 HydrophobicContact CG-CD2 4.43Å; K492-Y494 HydrophobicContact CG-CE1 4.33Å; K492-Y494 HydrophobicContact CG-CE2 3.78Å; K492-Y494 VanDerWaalsContact NZ-CE1 3.33Å; K492-Y494 PolarHBondContact NZ-OH 3.1Å; K492-Y494 VanDerWaalsContact NZ-OH 3.15Å; K492-Y494 WeakPolarHBondContact O-CD2 3.25Å; K492-Y494 WeakPolarHBondContact O-CE2 3.31Å | ||
| 493 | T | 97.4 | Very high | 96.6 | Very high | 89 Ų | 89 | 62.7 Ų | 62.7 | 55% | 0.546 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 146.8 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | V485 T486 | V485-T493 CarbonylContact O-C 3.6Å; V485-T493 WeakPolarHBondContact O-CA 3.37Å; T486-T493 HydrophobicContact CG2-CG2 4.14Å |
| 494 | Y | 97.9 | Very high | 96.8 | Very high | 43 Ų | 43 | 58.3 Ų | 58.3 | 17% | 0.169 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 141.7 | 178.5 | -59.7 | -93.7 | 0 | 0 | 0 | 109.4 | V484 V485 D487 K492 F496 A499 P500 L503 | V484-Y494 CarbonylContact C-O 3.59Å; V484-Y494 VanDerWaalsContact CA-O 3.28Å; V484-Y494 WeakPolarHBondContact CA-O 3.45Å; V484-Y494 WeakPolarHBondContact CG1-O 3.43Å; V485-Y494 PolarHBondContact N-O 2.92Å; V485-Y494 PolarHBondContact O-N 2.96Å; D487-Y494 HydrophobicContact CB-CE2 4.18Å; K492-Y494 HydrophobicContact CB-CE2 3.98Å; K492-Y494 HydrophobicContact CD-CE1 4.07Å; K492-Y494 HydrophobicContact CD-CE2 4.15Å; K492-Y494 VanDerWaalsContact CD-OH 3.25Å; K492-Y494 WeakPolarHBondContact CD-OH 3.33Å; K492-Y494 VanDerWaalsContact CE-CZ 3.44Å; K492-Y494 WeakPolarHBondContact CE-OH 3.5Å; K492-Y494 HydrophobicContact CG-CD2 4.43Å; K492-Y494 HydrophobicContact CG-CE1 4.33Å; K492-Y494 HydrophobicContact CG-CE2 3.78Å; K492-Y494 VanDerWaalsContact NZ-CE1 3.33Å; K492-Y494 PolarHBondContact NZ-OH 3.1Å; K492-Y494 VanDerWaalsContact NZ-OH 3.15Å; K492-Y494 WeakPolarHBondContact O-CD2 3.25Å; K492-Y494 WeakPolarHBondContact O-CE2 3.31Å; Y494-F496 PolarHBondContact O-N 3.27Å; Y494-A499 HydrophobicContact CG-CB 4.29Å; Y494-P500 HydrophobicContact CE1-CG 4.09Å; Y494-L503 HydrophobicContact CD2-CD2 4.08Å; Y494-L503 HydrophobicContact CE2-CD2 4.17Å |
| 495 | D | 97.1 | Very high | 96.8 | Very high | 62 Ų | 62 | 54.6 Ų | 54.6 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 133.6 | 156.6 | -177.2 | -44.8 | 0 | 0 | 0 | 107.8 | K467 A497 D498 A499 | K467-D495 IonicContact NZ-OD2 2.96Å; K467-D495 PolarHBondContact NZ-OD2 3.21Å; D495-A497 PolarHBondContact O-N 3.34Å; D495-A497 VanDerWaalsContact O-N 3.16Å; D495-A497 VanDerWaalsContact OD1-CB 3.23Å; D495-A497 WeakPolarHBondContact OD1-CB 3.47Å; D495-A497 PolarHBondContact OD1-N 2.96Å; D495-D498 HydrophobicContact CB-CB 4.48Å; D495-D498 CarbonylContact O-C 3.52Å; D495-D498 PolarHBondContact O-N 3.3Å; D495-A499 PolarHBondContact O-N 2.62Å |
| 496 | F | 97.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -53.4 | -37.8 | -177.5 | -178.7 | -83.4 | 0 | 0 | 0 | 112.4 | R459 Q460 A463 N481 K482 E483 V485 Y494 D498 A499 L504 W511 | R459-F496 HydrophobicContact CB-CE1 3.71Å; R459-F496 HydrophobicContact CB-CZ 3.89Å; Q460-F496 HydrophobicContact CG-CD1 4.37Å; Q460-F496 HydrophobicContact CG-CE1 3.9Å; Q460-F496 PolarHBondContact NE2-O 2.74Å; A463-F496 HydrophobicContact CB-CD1 4.12Å; N481-F496 HydrophobicContact CB-CE2 4.45Å; K482-F496 WeakPolarHBondContact O-CB 3.23Å; K482-F496 WeakPolarHBondContact O-CD2 3.42Å; K482-F496 WeakPolarHBondContact O-CG 3.31Å; E483-F496 WeakPolarHBondContact O-CB 3.41Å; E483-F496 PolarHBondContact O-N 2.99Å; V485-F496 HydrophobicContact CG1-CD2 3.98Å; Y494-F496 PolarHBondContact O-N 3.27Å; F496-D498 PolarHBondContact O-N 2.83Å; F496-A499 PolarHBondContact O-N 2.87Å; F496-L504 HydrophobicContact CD2-CD1 4.29Å; F496-L504 HydrophobicContact CD2-CD2 3.98Å; F496-L504 HydrophobicContact CE1-CD1 4.34Å; F496-L504 HydrophobicContact CE2-CD1 3.89Å; F496-L504 HydrophobicContact CE2-CD2 3.79Å; F496-L504 HydrophobicContact CE2-CG 4.46Å; F496-L504 HydrophobicContact CZ-CD1 3.9Å; F496-W511 AromaticContact CE2-CH2 3.75Å; F496-W511 HydrophobicContact CE2-CH2 3.75Å; F496-W511 HydrophobicContact CE2-CZ2 4.3Å; F496-W511 HydrophobicContact CE2-CZ3 4.19Å; F496-W511 AromaticContact CZ-CH2 3.76Å; F496-W511 HydrophobicContact CZ-CH2 3.76Å; F496-W511 HydrophobicContact CZ-CZ2 4.49Å; F496-W511 HydrophobicContact CZ-CZ3 4.39Å |
| 497 | A | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -61.6 | -29.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | A463 R464 D495 | A463-A497 HydrophobicContact CB-CB 3.8Å; R464-A497 HydrophobicContact CG-CB 3.78Å; R464-A497 VanDerWaalsContact CZ-O 3.28Å; R464-A497 PolarHBondContact NE-O 3.25Å; R464-A497 PolarHBondContact NH2-O 2.8Å; D495-A497 PolarHBondContact O-N 3.34Å; D495-A497 VanDerWaalsContact O-N 3.16Å; D495-A497 VanDerWaalsContact OD1-CB 3.23Å; D495-A497 WeakPolarHBondContact OD1-CB 3.47Å; D495-A497 PolarHBondContact OD1-N 2.96Å |
| 498 | D | 97.2 | Very high | 96.9 | Very high | 95 Ų | 95 | 56.6 Ų | 56.6 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -113.5 | 0.1 | -172.1 | -58.7 | -44.8 | 0 | 0 | 0 | 112.5 | K467 D495 F496 | K467-D498 IonicContact NZ-OD2 2.59Å; K467-D498 PolarHBondContact NZ-OD2 3.47Å; D495-D498 HydrophobicContact CB-CB 4.48Å; D495-D498 CarbonylContact O-C 3.52Å; D495-D498 PolarHBondContact O-N 3.3Å; F496-D498 PolarHBondContact O-N 2.83Å |
| 499 | A | 97.8 | Very high | 97 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -65.3 | 144.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | Q460 V485 Y494 D495 F496 T501 L504 | Q460-A499 PolarHBondContact NE2-O 2.87Å; V485-A499 HydrophobicContact CG2-CB 3.56Å; Y494-A499 HydrophobicContact CG-CB 4.29Å; D495-A499 PolarHBondContact O-N 2.62Å; F496-A499 PolarHBondContact O-N 2.87Å; A499-T501 PolarHBondContact O-N 2.89Å; A499-L504 HydrophobicContact CB-CD1 4.11Å; A499-L504 HydrophobicContact CB-CD2 4.14Å; A499-L504 HydrophobicContact CB-CG 4.07Å |
| 500 | P | 97.6 | Very high | 97.2 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 38% | 0.377 | 27% | 0.267 | S | S | . | . | trans | -57.2 | 124.7 | 174.7 | -23.5 | 33.4 | 0 | 0 | 0 | 110.7 | Y494 K502 L503 L504 | Y494-P500 HydrophobicContact CE1-CG 4.09Å; P500-K502 PolarHBondContact O-N 2.99Å; P500-K502 VanDerWaalsContact O-N 3.15Å; P500-L503 HydrophobicContact CB-CB 4.17Å; P500-L503 WeakPolarHBondContact O-CA 3.46Å; P500-L503 VanDerWaalsContact O-CB 3.24Å; P500-L503 WeakPolarHBondContact O-CB 3.49Å; P500-L503 PolarHBondContact O-N 2.85Å; P500-L504 PolarHBondContact O-N 3.13Å | ||
| 501 | T | 96.8 | Very high | 97.3 | Very high | 51 Ų | 51 | 43.4 Ų | 43.4 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -52.9 | -41.8 | -179.3 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | V456 Q460 A499 L503 L504 T505 | V456-T501 HydrophobicContact CG1-CG2 4.14Å; Q460-T501 PolarHBondContact OE1-OG1 3.13Å; Q460-T501 VanDerWaalsContact OE1-OG1 3.12Å; A499-T501 PolarHBondContact O-N 2.89Å; T501-L503 VanDerWaalsContact C-N 3.26Å; T501-L503 PolarHBondContact O-N 3.04Å; T501-L504 PolarHBondContact O-N 3.12Å; T501-L504 VanDerWaalsContact O-N 3.11Å; T501-T505 HydrophobicContact CG2-CG2 3.92Å; T501-T505 VanDerWaalsContact O-CG2 3.29Å; T501-T505 WeakPolarHBondContact O-CG2 3.47Å; T501-T505 PolarHBondContact O-N 3.32Å; T501-T505 PolarHBondContact O-OG1 2.9Å |
| 502 | K | 96.7 | Very high | 97.4 | Very high | 138 Ų | 138 | 41 Ų | 41 | 60% | 0.6 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -59.4 | -34.4 | 177.9 | -169 | 61.2 | 175.5 | 174.5 | 0 | 113.4 | P500 T506 | P500-K502 PolarHBondContact O-N 2.99Å; P500-K502 VanDerWaalsContact O-N 3.15Å; K502-T506 HydrophobicContact CD-CG2 3.85Å; K502-T506 WeakPolarHBondContact O-CB 3.2Å; K502-T506 PolarHBondContact O-N 3.48Å; K502-T506 PolarHBondContact O-OG1 2.51Å |
| 503 | L | 97.8 | Very high | 97.4 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -53.3 | 174.8 | 174.3 | 69.1 | 0 | 0 | 0 | 109.4 | V485 D487 Y494 P500 T501 T505 T506 V507 | V485-L503 HydrophobicContact CG2-CD2 4.39Å; D487-L503 HydrophobicContact CB-CD1 3.86Å; D487-L503 HydrophobicContact CB-CD2 3.9Å; Y494-L503 HydrophobicContact CD2-CD2 4.08Å; Y494-L503 HydrophobicContact CE2-CD2 4.17Å; P500-L503 HydrophobicContact CB-CB 4.17Å; P500-L503 WeakPolarHBondContact O-CA 3.46Å; P500-L503 VanDerWaalsContact O-CB 3.24Å; P500-L503 WeakPolarHBondContact O-CB 3.49Å; P500-L503 PolarHBondContact O-N 2.85Å; T501-L503 VanDerWaalsContact C-N 3.26Å; T501-L503 PolarHBondContact O-N 3.04Å; L503-T505 VanDerWaalsContact C-N 3.29Å; L503-T505 PolarHBondContact O-N 2.64Å; L503-T506 PolarHBondContact O-N 3.48Å; L503-V507 HydrophobicContact CD1-CB 4.02Å; L503-V507 HydrophobicContact CD1-CG1 4.45Å; L503-V507 HydrophobicContact CD1-CG2 3.68Å; L503-V507 VanDerWaalsContact O-CB 3.31Å; L503-V507 WeakPolarHBondContact O-CB 3.23Å; L503-V507 PolarHBondContact O-N 2.92Å |
| 504 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.5 | -34.6 | -179.1 | -63.7 | -179.3 | 0 | 0 | 0 | 112.9 | V456 Q460 V485 F496 A499 P500 T501 C510 W511 | V456-L504 HydrophobicContact CG1-CB 3.71Å; V456-L504 HydrophobicContact CG1-CD1 3.65Å; V456-L504 HydrophobicContact CG1-CG 4.35Å; V456-L504 HydrophobicContact CG2-CB 4.37Å; Q460-L504 HydrophobicContact CG-CD1 3.88Å; V485-L504 HydrophobicContact CB-CD2 4.37Å; V485-L504 HydrophobicContact CG1-CD2 3.94Å; V485-L504 HydrophobicContact CG2-CD2 3.92Å; F496-L504 HydrophobicContact CD2-CD1 4.29Å; F496-L504 HydrophobicContact CD2-CD2 3.98Å; F496-L504 HydrophobicContact CE1-CD1 4.34Å; F496-L504 HydrophobicContact CE2-CD1 3.89Å; F496-L504 HydrophobicContact CE2-CD2 3.79Å; F496-L504 HydrophobicContact CE2-CG 4.46Å; F496-L504 HydrophobicContact CZ-CD1 3.9Å; A499-L504 HydrophobicContact CB-CD1 4.11Å; A499-L504 HydrophobicContact CB-CD2 4.14Å; A499-L504 HydrophobicContact CB-CG 4.07Å; P500-L504 PolarHBondContact O-N 3.13Å; T501-L504 PolarHBondContact O-N 3.12Å; T501-L504 VanDerWaalsContact O-N 3.11Å; L504-C510 HydrophobicContact CD2-CB 4.04Å; L504-W511 HydrophobicContact CB-CZ2 4.35Å; L504-W511 PolarHBondContact O-NE1 2.87Å |
| 505 | T | 97.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -91.6 | -4.6 | -174.1 | 70.2 | 0 | 0 | 0 | 0 | 114.2 | Q449 I452 D453 V456 T501 L503 | Q449-T505 VanDerWaalsContact NE2-CB 3.33Å; Q449-T505 PolarHBondContact NE2-O 2.99Å; Q449-T505 PolarHBondContact NE2-OG1 2.91Å; I452-T505 HydrophobicContact CG2-CG2 4.06Å; D453-T505 WeakPolarHBondContact OD1-CB 3.49Å; D453-T505 WeakPolarHBondContact OD1-CG2 3.11Å; D453-T505 PolarHBondContact OD1-OG1 2.82Å; D453-T505 VanDerWaalsContact OD1-OG1 3.07Å; V456-T505 HydrophobicContact CB-CG2 3.73Å; V456-T505 HydrophobicContact CG1-CG2 3.91Å; V456-T505 HydrophobicContact CG2-CG2 3.71Å; T501-T505 HydrophobicContact CG2-CG2 3.92Å; T501-T505 VanDerWaalsContact O-CG2 3.29Å; T501-T505 WeakPolarHBondContact O-CG2 3.47Å; T501-T505 PolarHBondContact O-N 3.32Å; T501-T505 PolarHBondContact O-OG1 2.9Å; L503-T505 VanDerWaalsContact C-N 3.29Å; L503-T505 PolarHBondContact O-N 2.64Å |
| 506 | T | 97 | Very high | 96.9 | Very high | 59 Ų | 59 | 36 Ų | 36 | 36% | 0.362 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -130.4 | -15.7 | -179.3 | 64 | 0 | 0 | 0 | 0 | 115.3 | K502 L503 | K502-T506 HydrophobicContact CD-CG2 3.85Å; K502-T506 WeakPolarHBondContact O-CB 3.2Å; K502-T506 PolarHBondContact O-N 3.48Å; K502-T506 PolarHBondContact O-OG1 2.51Å; L503-T506 PolarHBondContact O-N 3.48Å |
| 507 | V | 97.7 | Very high | 96.6 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 14% | 0.139 | 23% | 0.227 | C | C | . | . | trans | -104.8 | 113.2 | -179.6 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | P488 L503 D509 C510 | P488-V507 HydrophobicContact CG-CG1 3.67Å; L503-V507 HydrophobicContact CD1-CB 4.02Å; L503-V507 HydrophobicContact CD1-CG1 4.45Å; L503-V507 HydrophobicContact CD1-CG2 3.68Å; L503-V507 VanDerWaalsContact O-CB 3.31Å; L503-V507 WeakPolarHBondContact O-CB 3.23Å; L503-V507 PolarHBondContact O-N 2.92Å; V507-D509 VanDerWaalsContact C-N 3.29Å; V507-D509 HydrophobicContact CG1-CB 3.99Å; V507-D509 PolarHBondContact O-N 2.77Å; V507-C510 WeakPolarHBondContact O-CB 3.21Å; V507-C510 PolarHBondContact O-N 2.85Å | ||
| 508 | Q | 97.5 | Very high | 96.5 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -56.2 | -39.7 | 179.5 | 178.7 | 175.6 | 77.1 | 0 | 0 | 113 | I360 A362 H364 C510 W511 V512 M531 | I360-Q508 HydrophobicContact CG1-CB 4.36Å; I360-Q508 WeakPolarHBondContact O-CB 3.43Å; I360-Q508 VanDerWaalsContact O-CG 3.26Å; I360-Q508 WeakPolarHBondContact O-CG 3.27Å; I360-Q508 PolarHBondContact O-NE2 3.48Å; A362-Q508 PolarHBondContact O-NE2 3.44Å; H364-Q508 PolarHBondContact ND1-NE2 3.27Å; Q508-C510 PolarHBondContact O-N 2.97Å; Q508-C510 VanDerWaalsContact O-N 3.08Å; Q508-W511 PolarHBondContact O-N 3.13Å; Q508-V512 HydrophobicContact CG-CG2 4.04Å; Q508-V512 PolarHBondContact O-N 2.79Å; Q508-M531 HydrophobicContact CG-CE 4.22Å; Q508-M531 HydrophobicContact CG-SD 4.11Å |
| 509 | D | 96.6 | Very high | 96.3 | Very high | 56 Ų | 56 | 38 Ų | 38 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -58.5 | -24.1 | -177.8 | -164.5 | 72.1 | 0 | 0 | 0 | 113.7 | K482 P488 V507 W511 V512 H514 | K482-D509 PolarHBondContact NZ-O 3.43Å; P488-D509 HydrophobicContact CG-CB 4.47Å; V507-D509 VanDerWaalsContact C-N 3.29Å; V507-D509 HydrophobicContact CG1-CB 3.99Å; V507-D509 PolarHBondContact O-N 2.77Å; D509-W511 PolarHBondContact O-N 3.1Å; D509-V512 PolarHBondContact O-N 3.14Å; D509-H514 IonicContact OD1-CE1 2.64Å; D509-H514 PolarHBondContact OD1-CE1 3.07Å; D509-H514 VanDerWaalsContact OD1-CE1 3.24Å; D509-H514 IonicContact OD1-NE2 2.66Å; D509-H514 PolarHBondContact OD1-NE2 2.98Å; D509-H514 IonicContact OD2-NE2 2.71Å |
| 510 | C | 97.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -62.5 | -14.8 | 172.3 | -67.4 | 0 | 0 | 0 | 0 | 113.2 | K482 V485 L504 V507 Q508 | K482-C510 WeakPolarHBondContact CD-O 3.28Å; V485-C510 HydrophobicContact CG1-CB 4.31Å; L504-C510 HydrophobicContact CD2-CB 4.04Å; V507-C510 WeakPolarHBondContact O-CB 3.21Å; V507-C510 PolarHBondContact O-N 2.85Å; Q508-C510 PolarHBondContact O-N 2.97Å; Q508-C510 VanDerWaalsContact O-N 3.08Å |
| 511 | W | 97.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -11.4 | -174.8 | -54.8 | 100.4 | 0 | 0 | 0 | 114.1 | V456 N481 F496 L504 Q508 D509 M531 L532 P534 | V456-W511 HydrophobicContact CG2-CH2 4.07Å; V456-W511 HydrophobicContact CG2-CZ2 3.61Å; N481-W511 HydrophobicContact CB-CZ3 4.14Å; F496-W511 AromaticContact CE2-CH2 3.75Å; F496-W511 HydrophobicContact CE2-CH2 3.75Å; F496-W511 HydrophobicContact CE2-CZ2 4.3Å; F496-W511 HydrophobicContact CE2-CZ3 4.19Å; F496-W511 AromaticContact CZ-CH2 3.76Å; F496-W511 HydrophobicContact CZ-CH2 3.76Å; F496-W511 HydrophobicContact CZ-CZ2 4.49Å; F496-W511 HydrophobicContact CZ-CZ3 4.39Å; L504-W511 HydrophobicContact CB-CZ2 4.35Å; L504-W511 PolarHBondContact O-NE1 2.87Å; Q508-W511 PolarHBondContact O-N 3.13Å; D509-W511 PolarHBondContact O-N 3.1Å; W511-M531 HydrophobicContact CB-CB 4.48Å; W511-M531 HydrophobicContact CB-CE 4.02Å; W511-M531 CarbonylContact O-C 3.54Å; W511-M531 VanDerWaalsContact O-CA 3.27Å; W511-M531 WeakPolarHBondContact O-CA 3.32Å; W511-L532 WeakPolarHBondContact CB-O 3.36Å; W511-L532 HydrophobicContact CE3-CB 4.48Å; W511-L532 HydrophobicContact CE3-CD2 4.36Å; W511-L532 PolarHBondContact O-N 3.33Å; W511-P534 HydrophobicContact CD2-CB 4.34Å; W511-P534 HydrophobicContact CD2-CG 3.81Å; W511-P534 HydrophobicContact CE3-CG 4.39Å; W511-P534 HydrophobicContact CG-CG 4.04Å; W511-P534 HydrophobicContact CH2-CB 4.19Å; W511-P534 HydrophobicContact CZ2-CB 3.94Å; W511-P534 HydrophobicContact CZ2-CG 4.12Å |
| 512 | V | 97.4 | Very high | 96 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -64.5 | 133.5 | 174.4 | 174 | 0 | 0 | 0 | 0 | 109.8 | K482 Q508 D509 H514 N528 M531 | K482-V512 WeakPolarHBondContact CE-O 2.94Å; K482-V512 PolarHBondContact NZ-O 3.29Å; Q508-V512 HydrophobicContact CG-CG2 4.04Å; Q508-V512 PolarHBondContact O-N 2.79Å; D509-V512 PolarHBondContact O-N 3.14Å; V512-H514 PolarHBondContact O-N 3.42Å; V512-N528 HydrophobicContact CG1-CB 4.38Å; V512-M531 HydrophobicContact CG2-CB 4.38Å |
| 513 | M | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -84 | 111.4 | 175.5 | -60.2 | -178 | -175.4 | 0 | 0 | 109.3 | V327 W480 W519 H520 F522 I525 S530 L532 | V327-M513 HydrophobicContact CG1-CE 4.11Å; V327-M513 HydrophobicContact CG2-CE 3.98Å; W480-M513 HydrophobicContact CH2-CE 4.19Å; M513-W519 HydrophobicContact CE-CH2 4.09Å; M513-W519 HydrophobicContact CG-CH2 4.34Å; M513-W519 HydrophobicContact CG-CZ2 3.97Å; M513-H520 HydrophobicContact SD-CB 4.17Å; M513-F522 HydrophobicContact CE-CE2 4.32Å; M513-F522 HydrophobicContact SD-CD2 4Å; M513-F522 HydrophobicContact SD-CE2 4.18Å; M513-I525 HydrophobicContact CB-CD1 3.71Å; M513-I525 HydrophobicContact CB-CG2 4.4Å; M513-I525 HydrophobicContact CG-CD1 4.33Å; M513-I525 HydrophobicContact SD-CD1 3.72Å; M513-S530 PolarHBondContact N-O 3.46Å; M513-L532 HydrophobicContact CE-CB 4.11Å | ||
| 514 | H | 95.4 | Very high | 95.3 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 18% | 0.176 | 25% | 0.249 | C | C | . | . | trans | -94.1 | 152.4 | -178.4 | -60.3 | -68.5 | 0 | 0 | 0 | 112.5 | K482 D509 V512 G516 E517 D527 | K482-H514 PolarHBondContact NZ-CD2 3.2Å; K482-H514 PolarHBondContact NZ-NE2 2.88Å; K482-H514 VanDerWaalsContact NZ-NE2 3.11Å; D509-H514 IonicContact OD1-CE1 2.64Å; D509-H514 PolarHBondContact OD1-CE1 3.07Å; D509-H514 VanDerWaalsContact OD1-CE1 3.24Å; D509-H514 IonicContact OD1-NE2 2.66Å; D509-H514 PolarHBondContact OD1-NE2 2.98Å; D509-H514 IonicContact OD2-NE2 2.71Å; V512-H514 PolarHBondContact O-N 3.42Å; H514-G516 PolarHBondContact O-N 2.68Å; H514-E517 HydrophobicContact CB-CG 4.18Å; H514-E517 IonicContact CD2-OE1 3.03Å; H514-E517 PolarHBondContact N-OE2 3.05Å; H514-E517 WeakPolarHBondContact O-CB 3.42Å; H514-E517 PolarHBondContact O-N 3.08Å; H514-D527 IonicContact CE1-OD1 3.79Å; H514-D527 IonicContact CG-OD1 3.6Å; H514-D527 IonicContact ND1-OD1 3.2Å; H514-D527 PolarHBondContact ND1-OD1 3.16Å | ||
| 515 | P | 94.6 | Very high | 95.1 | Very high | 76 Ų | 76 | 42.4 Ų | 42.4 | 49% | 0.494 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 136 | 174.2 | -17.7 | 29.2 | 0 | 0 | 0 | 111.3 | E517 I525 D527 | P515-E517 VanDerWaalsContact C-N 3.33Å; P515-I525 WeakPolarHBondContact CG-O 3.38Å; P515-D527 HydrophobicContact CG-CB 3.75Å |
| 516 | G | 91.5 | Very high | 95 | Very high | 86 Ų | 86 | 44.2 Ų | 44.2 | 89% | 0.887 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -9.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | H514 | H514-G516 PolarHBondContact O-N 2.68Š|
| 517 | E | 93.1 | Very high | 94.9 | Very high | 54 Ų | 54 | 45.7 Ų | 45.7 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | trans | -72.1 | 137.6 | 168 | -66.8 | -175.6 | 157.6 | 0 | 0 | 110.7 | K482 H514 P515 W519 H520 | K482-E517 VanDerWaalsContact CE-OE1 3.3Å; K482-E517 WeakPolarHBondContact CE-OE1 3.35Å; K482-E517 VanDerWaalsContact CE-OE2 3.3Å; K482-E517 WeakPolarHBondContact CE-OE2 3.42Å; K482-E517 IonicContact NZ-OE1 3.43Å; K482-E517 PolarHBondContact NZ-OE1 3.49Å; K482-E517 IonicContact NZ-OE2 2.66Å; H514-E517 HydrophobicContact CB-CG 4.18Å; H514-E517 IonicContact CD2-OE1 3.03Å; H514-E517 PolarHBondContact N-OE2 3.05Å; H514-E517 WeakPolarHBondContact O-CB 3.42Å; H514-E517 PolarHBondContact O-N 3.08Å; P515-E517 VanDerWaalsContact C-N 3.33Å; E517-W519 PolarHBondContact OE2-NE1 2.95Å; E517-H520 PolarHBondContact O-CE1 2.83Å; E517-H520 PolarHBondContact O-NE2 2.95Å | ||
| 518 | S | 93.2 | Very high | 94.7 | Very high | 65 Ų | 65 | 47 Ų | 47 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | trans | -101.5 | -18.6 | -177.6 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | H520 G521 | S518-H520 VanDerWaalsContact C-N 3.26Å; S518-H520 PolarHBondContact O-N 3.21Å; S518-G521 PolarHBondContact O-N 3.44Å | ||
| 519 | W | 94.7 | Very high | 94.7 | Very high | 22 Ų | 22 | 45 Ų | 45 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -35.7 | -170.9 | 70.7 | -93.9 | 0 | 0 | 0 | 113 | W480 N481 K482 M513 E517 L532 | W480-W519 HydrophobicContact CD2-CZ3 4.14Å; W480-W519 AromaticContact CE2-CZ3 3.91Å; W480-W519 HydrophobicContact CZ2-CZ3 4.16Å; W480-W519 PolarHBondContact NE1-O 3.18Å; N481-W519 VanDerWaalsContact CA-CZ3 3.46Å; K482-W519 HydrophobicContact CG-CD2 4.43Å; K482-W519 HydrophobicContact CG-CZ2 3.98Å; M513-W519 HydrophobicContact CE-CH2 4.09Å; M513-W519 HydrophobicContact CG-CH2 4.34Å; M513-W519 HydrophobicContact CG-CZ2 3.97Å; E517-W519 PolarHBondContact OE2-NE1 2.95Å; W519-L532 HydrophobicContact CH2-CB 4.12Å; W519-L532 HydrophobicContact CH2-CD2 3.87Å; W519-L532 HydrophobicContact CZ3-CD2 4Å |
| 520 | H | 95 | Very high | 94.8 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -19.6 | -179.5 | 50.2 | 59.5 | 0 | 0 | 0 | 113.2 | N278 W480 M513 E517 S518 F522 | N278-H520 PolarHBondContact ND2-O 3.23Å; W480-H520 HydrophobicContact CZ2-CB 4.1Å; M513-H520 HydrophobicContact SD-CB 4.17Å; E517-H520 PolarHBondContact O-CE1 2.83Å; E517-H520 PolarHBondContact O-NE2 2.95Å; S518-H520 VanDerWaalsContact C-N 3.26Å; S518-H520 PolarHBondContact O-N 3.21Å; H520-F522 HydrophobicContact CB-CD2 3.9Å; H520-F522 HydrophobicContact CB-CE2 4.31Å; H520-F522 PolarHBondContact CE1-O 3.42Å; H520-F522 VanDerWaalsContact CE1-O 3.26Å; H520-F522 PolarHBondContact ND1-N 2.96Å; H520-F522 PolarHBondContact ND1-O 3.23Å; H520-F522 PolarHBondContact O-N 2.86Å |
| 521 | G | 94.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 23% | 0.227 | 25% | 0.25 | C | C | . | . | trans | 72.8 | -3.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S518 | S518-G521 PolarHBondContact O-N 3.44Š| ||
| 522 | F | 94.6 | Very high | 94.8 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 4% | 0.044 | 25% | 0.249 | C | C | . | . | trans | -76.7 | 135.5 | 168.3 | -53.7 | -61.2 | 0 | 0 | 0 | 111.8 | N278 I282 V327 W480 M513 H520 | N278-F522 HydrophobicContact CB-CD1 3.89Å; N278-F522 HydrophobicContact CB-CE1 3.68Å; N278-F522 HydrophobicContact CB-CZ 4.24Å; I282-F522 HydrophobicContact CG2-CZ 4.15Å; V327-F522 HydrophobicContact CG2-CE2 4.38Å; W480-F522 HydrophobicContact CH2-CE2 4.08Å; W480-F522 HydrophobicContact CH2-CZ 4.45Å; W480-F522 AromaticContact CZ2-CE2 4Å; W480-F522 HydrophobicContact CZ2-CE2 4Å; W480-F522 HydrophobicContact CZ2-CZ 4.42Å; M513-F522 HydrophobicContact CE-CE2 4.32Å; M513-F522 HydrophobicContact SD-CD2 4Å; M513-F522 HydrophobicContact SD-CE2 4.18Å; H520-F522 HydrophobicContact CB-CD2 3.9Å; H520-F522 HydrophobicContact CB-CE2 4.31Å; H520-F522 PolarHBondContact CE1-O 3.42Å; H520-F522 VanDerWaalsContact CE1-O 3.26Å; H520-F522 PolarHBondContact ND1-N 2.96Å; H520-F522 PolarHBondContact ND1-O 3.23Å; H520-F522 PolarHBondContact O-N 2.86Å | ||
| 523 | K | 90.5 | Very high | 94.9 | Very high | 168 Ų | 168 | 42 Ų | 42 | 73% | 0.73 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -86.8 | 145.1 | 178.2 | -62.3 | -178.3 | -179 | 178.1 | 0 | 110.3 | Y287 I525 | Y287-K523 VanDerWaalsContact CZ-O 3.28Å; Y287-K523 PolarHBondContact OH-O 3.42Å; K523-I525 PolarHBondContact O-N 3.01Å |
| 524 | D | 91.2 | Very high | 94.9 | Very high | 154 Ų | 154 | 42 Ų | 42 | 82% | 0.824 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 52.1 | 34 | 169.7 | -50.9 | -45.8 | 0 | 0 | 0 | 115.5 | P526 | D524-P526 WeakPolarHBondContact O-CD 3.35Š|
| 525 | I | 93.8 | Very high | 95 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 126.2 | 176.3 | -166.6 | 157.8 | 0 | 0 | 0 | 110 | P285 Y287 M513 P515 K523 | P285-I525 HydrophobicContact CG-CD1 4.09Å; Y287-I525 HydrophobicContact CE1-CB 4.41Å; M513-I525 HydrophobicContact CB-CD1 3.71Å; M513-I525 HydrophobicContact CB-CG2 4.4Å; M513-I525 HydrophobicContact CG-CD1 4.33Å; M513-I525 HydrophobicContact SD-CD1 3.72Å; P515-I525 WeakPolarHBondContact CG-O 3.38Å; K523-I525 PolarHBondContact O-N 3.01Å |
| 526 | P | 95.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 37 Ų | 37 | 26% | 0.26 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -67.3 | 150.1 | 175 | -15.7 | 28.8 | 0 | 0 | 0 | 110.9 | P288 D524 W529 | P288-P526 HydrophobicContact CG-CG 3.83Å; D524-P526 WeakPolarHBondContact O-CD 3.35Å; P526-W529 HydrophobicContact CB-CB 4.03Å; P526-W529 HydrophobicContact CG-CB 4.29Å; P526-W529 HydrophobicContact CG-CG 4.39Å; P526-W529 VanDerWaalsContact O-CB 3.27Å; P526-W529 WeakPolarHBondContact O-CB 3.42Å; P526-W529 PolarHBondContact O-N 2.9Å |
| 527 | D | 94.8 | Very high | 95.4 | Very high | 91 Ų | 91 | 32.9 Ų | 32.9 | 49% | 0.487 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 140.1 | 179.5 | -164.9 | 30.1 | 0 | 0 | 0 | 111.8 | H514 P515 W529 | H514-D527 IonicContact CE1-OD1 3.79Å; H514-D527 IonicContact CG-OD1 3.6Å; H514-D527 IonicContact ND1-OD1 3.2Å; H514-D527 PolarHBondContact ND1-OD1 3.16Å; P515-D527 HydrophobicContact CG-CB 3.75Å; D527-W529 PolarHBondContact O-N 3.26Å |
| 528 | N | 93.9 | Very high | 95.7 | Very high | 50 Ų | 50 | 30.3 Ų | 30.3 | 27% | 0.267 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 21.7 | -178.3 | -164.7 | 48.1 | 0 | 0 | 0 | 115.1 | N330 V512 | N330-N528 WeakPolarHBondContact CB-O 3.43Å; N330-N528 PolarHBondContact ND2-ND2 3.22Å; N330-N528 VanDerWaalsContact ND2-ND2 3.14Å; N330-N528 PolarHBondContact ND2-O 3.2Å; V512-N528 HydrophobicContact CG1-CB 4.38Å |
| 529 | W | 97.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 1% | 0.011 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -80.3 | -30 | 176.3 | -178.9 | -115.3 | 0 | 0 | 0 | 112.3 | I286 P288 M291 Y329 N330 E333 A334 L337 P526 D527 | I286-W529 WeakPolarHBondContact O-CZ2 3.47Å; I286-W529 PolarHBondContact O-NE1 3.4Å; P288-W529 HydrophobicContact CG-CD2 3.7Å; P288-W529 HydrophobicContact CG-CE3 3.83Å; P288-W529 HydrophobicContact CG-CG 4.29Å; P288-W529 HydrophobicContact CG-CH2 4.05Å; P288-W529 HydrophobicContact CG-CZ2 3.91Å; P288-W529 HydrophobicContact CG-CZ3 4Å; M291-W529 HydrophobicContact CE-CH2 4.39Å; M291-W529 HydrophobicContact CE-CZ2 4.03Å; M291-W529 HydrophobicContact SD-CH2 3.86Å; M291-W529 HydrophobicContact SD-CZ2 4.01Å; Y329-W529 HydrophobicContact CD1-CZ2 4.21Å; N330-W529 PolarHBondContact N-O 3.19Å; E333-W529 HydrophobicContact CB-CE3 4.17Å; E333-W529 HydrophobicContact CB-CZ3 3.74Å; A334-W529 HydrophobicContact CB-CH2 3.95Å; A334-W529 HydrophobicContact CB-CZ3 4.5Å; L337-W529 HydrophobicContact CD1-CH2 3.8Å; L337-W529 HydrophobicContact CD1-CZ3 4.03Å; P526-W529 HydrophobicContact CB-CB 4.03Å; P526-W529 HydrophobicContact CG-CB 4.29Å; P526-W529 HydrophobicContact CG-CG 4.39Å; P526-W529 VanDerWaalsContact O-CB 3.27Å; P526-W529 WeakPolarHBondContact O-CB 3.42Å; P526-W529 PolarHBondContact O-N 2.9Å; D527-W529 PolarHBondContact O-N 3.26Å |
| 530 | S | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 152.7 | 178.8 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | P285 C328 M513 | P285-S530 VanDerWaalsContact CB-OG 3.31Å; P285-S530 WeakPolarHBondContact CB-OG 3.48Å; P285-S530 WeakPolarHBondContact CG-OG 3.27Å; C328-S530 CarbonylContact O-C 3.57Å; C328-S530 WeakPolarHBondContact O-CA 3.38Å; C328-S530 WeakPolarHBondContact O-CB 3.36Å; M513-S530 PolarHBondContact N-O 3.46Å |
| 531 | M | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 156.5 | 170.3 | 68.5 | 177.6 | -69.2 | 0 | 0 | 110.5 | C328 I360 Y361 H364 Q508 W511 V512 | C328-M531 HydrophobicContact CB-CG 3.74Å; C328-M531 PolarHBondContact N-O 3.36Å; C328-M531 PolarHBondContact O-N 2.9Å; I360-M531 WeakPolarHBondContact O-CE 3.17Å; Y361-M531 HydrophobicContact CD1-CE 4.03Å; Y361-M531 HydrophobicContact CD1-SD 4.26Å; Y361-M531 HydrophobicContact CE1-CE 4.35Å; H364-M531 HydrophobicContact CB-SD 4.07Å; H364-M531 VanDerWaalsContact CD2-CG 3.46Å; H364-M531 WeakPolarHBondContact CD2-CG 3.46Å; Q508-M531 HydrophobicContact CG-CE 4.22Å; Q508-M531 HydrophobicContact CG-SD 4.11Å; W511-M531 HydrophobicContact CB-CB 4.48Å; W511-M531 HydrophobicContact CB-CE 4.02Å; W511-M531 CarbonylContact O-C 3.54Å; W511-M531 VanDerWaalsContact O-CA 3.27Å; W511-M531 WeakPolarHBondContact O-CA 3.32Å; V512-M531 HydrophobicContact CG2-CB 4.38Å |
| 532 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126.1 | 168.6 | 178.4 | 62.7 | 0 | 0 | 0 | 110.1 | W480 N481 W511 M513 W519 P534 | W480-L532 HydrophobicContact CE3-CD1 4.03Å; W480-L532 HydrophobicContact CE3-CD2 4.31Å; W480-L532 HydrophobicContact CH2-CD1 4.37Å; W480-L532 HydrophobicContact CZ3-CD1 3.52Å; W480-L532 HydrophobicContact CZ3-CD2 4.45Å; W480-L532 WeakPolarHBondContact O-CD2 3.4Å; N481-L532 HydrophobicContact CB-CD2 4.13Å; W511-L532 WeakPolarHBondContact CB-O 3.36Å; W511-L532 HydrophobicContact CE3-CB 4.48Å; W511-L532 HydrophobicContact CE3-CD2 4.36Å; W511-L532 PolarHBondContact O-N 3.33Å; M513-L532 HydrophobicContact CE-CB 4.11Å; W519-L532 HydrophobicContact CH2-CB 4.12Å; W519-L532 HydrophobicContact CH2-CD2 3.87Å; W519-L532 HydrophobicContact CZ3-CD2 4Å; L532-P534 WeakPolarHBondContact O-CD 3.37Å |
| 533 | D | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -64.5 | 117.6 | 171.4 | -173.5 | -18.1 | 0 | 0 | 0 | 110.3 | G326 Y354 Y361 R459 I535 K536 | G326-D533 WeakPolarHBondContact O-CB 3.47Å; G326-D533 PolarHBondContact O-N 3.4Å; Y354-D533 PolarHBondContact OH-OD2 2.9Å; Y361-D533 PolarHBondContact OH-OD1 2.85Å; Y361-D533 VanDerWaalsContact OH-OD1 3.1Å; R459-D533 PolarHBondContact NH2-O 3.46Å; D533-I535 PolarHBondContact O-N 3.07Å; D533-I535 VanDerWaalsContact O-N 3.13Å; D533-I535 WeakPolarHBondContact OD1-CG1 3.32Å; D533-I535 PolarHBondContact OD1-N 3.02Å; D533-K536 HydrophobicContact CB-CB 4.04Å; D533-K536 HydrophobicContact CB-CG 3.66Å; D533-K536 PolarHBondContact O-N 2.81Å; D533-K536 VanDerWaalsContact O-N 3.16Å; D533-K536 WeakPolarHBondContact OD2-CG 3.42Å; D533-K536 IonicContact OD2-NZ 2.81Å; D533-K536 PolarHBondContact OD2-NZ 3.13Å | ||
| 534 | P | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -34.8 | -178.5 | -24.5 | 33.1 | 0 | 0 | 0 | 113 | I360 I452 A455 V456 R459 W511 L532 K536 | I360-P534 HydrophobicContact CD1-CG 4.11Å; I452-P534 HydrophobicContact CG2-CB 4.22Å; I452-P534 HydrophobicContact CG2-CG 4.49Å; A455-P534 WeakPolarHBondContact CB-O 3.48Å; V456-P534 HydrophobicContact CG2-CB 4.48Å; R459-P534 PolarHBondContact NE-O 3.23Å; R459-P534 PolarHBondContact NH2-O 3.19Å; R459-P534 VanDerWaalsContact NH2-O 3.11Å; W511-P534 HydrophobicContact CD2-CB 4.34Å; W511-P534 HydrophobicContact CD2-CG 3.81Å; W511-P534 HydrophobicContact CE3-CG 4.39Å; W511-P534 HydrophobicContact CG-CG 4.04Å; W511-P534 HydrophobicContact CH2-CB 4.19Å; W511-P534 HydrophobicContact CZ2-CB 3.94Å; W511-P534 HydrophobicContact CZ2-CG 4.12Å; L532-P534 WeakPolarHBondContact O-CD 3.37Å; P534-K536 VanDerWaalsContact C-N 3.32Å; P534-K536 PolarHBondContact O-N 3.18Å |
| 535 | I | 97.4 | Very high | 96.7 | Very high | 8 Ų | 8 | 12.9 Ų | 12.9 | 4% | 0.041 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -9.5 | -172.7 | 87.4 | -177.3 | 0 | 0 | 0 | 113.3 | Y354 V451 I452 A455 D533 V537 F583 | Y354-I535 HydrophobicContact CD1-CD1 4.47Å; Y354-I535 HydrophobicContact CD2-CD1 4.3Å; Y354-I535 HydrophobicContact CE1-CD1 3.85Å; Y354-I535 HydrophobicContact CE2-CD1 3.6Å; Y354-I535 HydrophobicContact CE2-CG1 4.49Å; Y354-I535 WeakPolarHBondContact OH-CD1 3.45Å; V451-I535 HydrophobicContact CG1-CB 4.02Å; V451-I535 HydrophobicContact CG1-CD1 4.28Å; V451-I535 HydrophobicContact CG1-CG2 3.81Å; I452-I535 HydrophobicContact CG1-CG2 3.74Å; A455-I535 HydrophobicContact CB-CB 4.4Å; A455-I535 HydrophobicContact CB-CG2 4.45Å; D533-I535 PolarHBondContact O-N 3.07Å; D533-I535 VanDerWaalsContact O-N 3.13Å; D533-I535 WeakPolarHBondContact OD1-CG1 3.32Å; D533-I535 PolarHBondContact OD1-N 3.02Å; I535-V537 PolarHBondContact O-N 3.28Å; I535-F583 HydrophobicContact CB-CB 4.14Å; I535-F583 WeakPolarHBondContact CD1-O 3.49Å; I535-F583 WeakPolarHBondContact CG1-O 3.4Å; I535-F583 PolarHBondContact O-N 3.29Å |
| 536 | K | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 79.5 | 177.9 | -60.7 | -69.5 | 173.4 | 47.6 | 0 | 109.1 | C322 W351 Y354 R459 D533 P534 M580 L582 | C322-K536 PolarHBondContact SG-NZ 2.97Å; C322-K536 VanDerWaalsContact SG-NZ 3.4Å; W351-K536 PolarHBondContact O-NZ 2.82Å; Y354-K536 WeakPolarHBondContact OH-CE 3.28Å; Y354-K536 PolarHBondContact OH-NZ 3.1Å; R459-K536 PolarHBondContact NH2-O 2.82Å; D533-K536 HydrophobicContact CB-CB 4.04Å; D533-K536 HydrophobicContact CB-CG 3.66Å; D533-K536 PolarHBondContact O-N 2.81Å; D533-K536 VanDerWaalsContact O-N 3.16Å; D533-K536 WeakPolarHBondContact OD2-CG 3.42Å; D533-K536 IonicContact OD2-NZ 2.81Å; D533-K536 PolarHBondContact OD2-NZ 3.13Å; P534-K536 VanDerWaalsContact C-N 3.32Å; P534-K536 PolarHBondContact O-N 3.18Å; K536-M580 HydrophobicContact CB-CE 3.76Å; K536-M580 HydrophobicContact CD-CE 3.77Å; K536-M580 HydrophobicContact CG-CE 4.27Å; K536-L582 HydrophobicContact CD-CD2 3.3Å |
| 537 | V | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 118.8 | -167.8 | -169 | 0 | 0 | 0 | 0 | 111.4 | A455 F458 R459 I535 M580 F581 F583 | A455-V537 HydrophobicContact CB-CG2 4.07Å; F458-V537 HydrophobicContact CD1-CB 4.36Å; F458-V537 HydrophobicContact CD1-CG1 3.73Å; F458-V537 HydrophobicContact CD1-CG2 4.42Å; F458-V537 HydrophobicContact CE1-CB 4.35Å; F458-V537 HydrophobicContact CE1-CG1 3.6Å; R459-V537 HydrophobicContact CG-CG1 3.78Å; R459-V537 HydrophobicContact CG-CG2 4.26Å; I535-V537 PolarHBondContact O-N 3.28Å; V537-M580 CarbonylContact O-C 3.28Å; V537-M580 WeakPolarHBondContact O-CA 3.33Å; V537-F581 PolarHBondContact N-O 3.21Å; V537-F581 PolarHBondContact O-N 2.85Å; V537-F583 HydrophobicContact CB-CD2 4.12Å; V537-F583 HydrophobicContact CB-CE2 3.92Å; V537-F583 HydrophobicContact CG2-CD2 3.49Å; V537-F583 VanDerWaalsContact CG2-CD2 3.49Å; V537-F583 HydrophobicContact CG2-CE2 3.56Å; V537-F583 HydrophobicContact CG2-CG 4.36Å; V537-F583 HydrophobicContact CG2-CZ 4.46Å |
| 538 | S | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 135.7 | 169.7 | -63.4 | 0 | 0 | 0 | 0 | 110 | W480 Q578 I579 | W480-S538 PolarHBondContact N-O 3.03Å; S538-Q578 PolarHBondContact OG-NE2 3.26Å; S538-I579 WeakPolarHBondContact CA-O 3.45Å |
| 539 | I | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 148.8 | 165.4 | 66.3 | 175.2 | 0 | 0 | 0 | 109.4 | F458 M462 F477 K478 Q578 I579 F581 L599 | F458-I539 HydrophobicContact CE1-CG2 4.22Å; F458-I539 HydrophobicContact CZ-CG2 4.25Å; M462-I539 HydrophobicContact CE-CG2 4.33Å; M462-I539 HydrophobicContact CG-CG2 4.44Å; F477-I539 HydrophobicContact CB-CB 4.42Å; F477-I539 HydrophobicContact CB-CD1 4.26Å; F477-I539 HydrophobicContact CD1-CD1 4.37Å; F477-I539 HydrophobicContact CG-CD1 4.24Å; K478-I539 CarbonylContact O-C 3.48Å; K478-I539 WeakPolarHBondContact O-CA 3.37Å; I539-Q578 WeakPolarHBondContact O-CA 3.21Å; I539-I579 HydrophobicContact CD1-CB 4.43Å; I539-I579 HydrophobicContact CD1-CD1 4.38Å; I539-I579 HydrophobicContact CG1-CB 3.9Å; I539-I579 HydrophobicContact CG1-CD1 4.48Å; I539-I579 PolarHBondContact N-O 3.36Å; I539-I579 PolarHBondContact O-N 3.02Å; I539-F581 HydrophobicContact CD1-CE2 3.86Å; I539-F581 HydrophobicContact CG1-CE2 4.03Å; I539-L599 HydrophobicContact CD1-CD1 3.71Å; I539-L599 HydrophobicContact CD1-CD2 3.91Å; I539-L599 HydrophobicContact CD1-CG 4.5Å |
| 540 | L | 98 | Very high | 95.9 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.6 | -178.7 | -54.8 | 177.3 | 0 | 0 | 0 | 109.1 | Y280 F477 K478 W480 F577 Q578 | Y280-L540 HydrophobicContact CD1-CD2 4.15Å; Y280-L540 HydrophobicContact CD2-CD2 4.19Å; Y280-L540 HydrophobicContact CE1-CD1 4.29Å; Y280-L540 HydrophobicContact CE1-CD2 4.17Å; Y280-L540 HydrophobicContact CE2-CD1 3.83Å; Y280-L540 HydrophobicContact CE2-CD2 4.22Å; Y280-L540 HydrophobicContact CG-CD2 4.15Å; F477-L540 CarbonylContact C-O 3.38Å; F477-L540 VanDerWaalsContact CA-O 3.31Å; F477-L540 WeakPolarHBondContact CA-O 3.49Å; K478-L540 HydrophobicContact CB-CB 4.45Å; K478-L540 PolarHBondContact N-O 3.18Å; K478-L540 PolarHBondContact O-N 2.95Å; W480-L540 HydrophobicContact CB-CD1 4.18Å; W480-L540 HydrophobicContact CB-CD2 4.21Å; W480-L540 HydrophobicContact CB-CG 4.05Å; W480-L540 HydrophobicContact CG-CD1 4.41Å; W480-L540 HydrophobicContact CG-CD2 4.49Å; L540-F577 CarbonylContact C-O 3.58Å; L540-F577 WeakPolarHBondContact CA-O 3.45Å; L540-Q578 HydrophobicContact CD2-CB 3.98Å; L540-Q578 HydrophobicContact CD2-CG 4.21Å |
| 541 | A | 97.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 28 Ų | 28 | 5% | 0.05 | 15% | 0.15 | C | C | . | . | trans | -78.8 | 150.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F477 V555 F577 | F477-A541 HydrophobicContact CD1-CB 4.03Å; F477-A541 HydrophobicContact CE1-CB 3.94Å; A541-V555 HydrophobicContact CB-CB 4.33Å; A541-V555 WeakPolarHBondContact CB-O 3.2Å; A541-F577 PolarHBondContact N-O 2.88Å | ||
| 542 | P | 97.4 | Very high | 95.6 | Very high | 31 Ų | 31 | 36.6 Ų | 36.6 | 20% | 0.201 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -63.5 | 154.5 | 175.1 | 29.1 | -37.9 | 0 | 0 | 0 | 111.5 | W475 G554 V555 F577 | W475-P542 HydrophobicContact CB-CG 4.36Å; W475-P542 HydrophobicContact CD2-CG 4.13Å; W475-P542 HydrophobicContact CE3-CG 3.58Å; W475-P542 HydrophobicContact CG-CG 4.48Å; W475-P542 HydrophobicContact CZ3-CG 4.21Å; P542-G554 CarbonylContact O-C 3.52Å; P542-G554 VanDerWaalsContact O-CA 3.27Å; P542-G554 WeakPolarHBondContact O-CA 3.34Å; P542-V555 HydrophobicContact CG-CB 3.93Å; P542-V555 HydrophobicContact CG-CG2 3.7Å; P542-V555 PolarHBondContact O-N 3.37Å; P542-F577 WeakPolarHBondContact O-CD1 3.5Å |
| 543 | G | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 132 | -6.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L550 E551 | G543-L550 WeakPolarHBondContact O-CA 3.32Å; G543-L550 WeakPolarHBondContact O-CD2 3.46Å; G543-E551 WeakPolarHBondContact CA-OE2 3.32Å; G543-E551 PolarHBondContact N-OE2 3.03Å; G543-E551 PolarHBondContact O-N 2.9Å |
| 544 | M | 95.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -135.2 | 119.5 | -178.2 | 178 | 69 | 74 | 0 | 0 | 110.7 | R279 Y280 L550 F577 | R279-M544 HydrophobicContact CB-SD 4.46Å; R279-M544 HydrophobicContact CG-CG 4.24Å; Y280-M544 HydrophobicContact CD1-CB 4.3Å; Y280-M544 HydrophobicContact CD1-CG 4.01Å; Y280-M544 HydrophobicContact CE1-CB 3.76Å; Y280-M544 HydrophobicContact CE1-CG 3.64Å; M544-L550 HydrophobicContact CE-CD2 3.62Å; M544-L550 HydrophobicContact CE-CG 4.45Å; M544-L550 HydrophobicContact SD-CD2 4.35Å; M544-F577 HydrophobicContact CB-CD2 3.92Å; M544-F577 HydrophobicContact CB-CE2 4.35Å; M544-F577 HydrophobicContact CB-CG 4.29Å; M544-F577 HydrophobicContact CE-CD2 4.13Å; M544-F577 HydrophobicContact CE-CE2 4.1Å |
| 545 | G | 93.3 | Very high | 95.4 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | trans | -74.4 | 171.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R279 D547 G548 E549 | R279-G545 WeakPolarHBondContact CD-O 3.36Å; R279-G545 PolarHBondContact NE-O 3.2Å; G545-D547 PolarHBondContact O-N 3Å; G545-G548 PolarHBondContact O-N 2.86Å; G545-E549 PolarHBondContact N-O 2.83Å | ||
| 546 | E | 90.1 | Very high | 95.4 | Very high | 116 Ų | 116 | 41.4 Ų | 41.4 | 54% | 0.542 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -28.3 | 177.1 | -67.9 | -158.8 | 154.8 | 0 | 0 | 113.8 | R279 G548 | R279-E546 PolarHBondContact NH1-O 3.43Å; E546-G548 PolarHBondContact O-N 2.99Å |
| 547 | D | 90.3 | Very high | 95.4 | Very high | 128 Ų | 128 | 41.4 Ų | 41.4 | 68% | 0.684 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -14.5 | 175.4 | 55.5 | 3.7 | 0 | 0 | 0 | 113.5 | G545 E549 | G545-D547 PolarHBondContact O-N 3Å; D547-E549 PolarHBondContact OD1-N 3.36Å |
| 548 | G | 89.8 | Confident | 95.3 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 88.3 | 7.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G545 E546 | G545-G548 PolarHBondContact O-N 2.86Å; E546-G548 PolarHBondContact O-N 2.99Å |
| 549 | E | 93.1 | Very high | 95.3 | Very high | 123 Ų | 123 | 42.8 Ų | 42.8 | 58% | 0.575 | 23% | 0.232 | S | C | * | . | trans | -88.7 | 148.6 | 172.9 | -62.9 | -60.9 | 149.3 | 0 | 0 | 110.8 | G545 D547 | G545-E549 PolarHBondContact N-O 2.83Å; D547-E549 PolarHBondContact OD1-N 3.36Å | ||
| 550 | L | 94.5 | Very high | 95.4 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 16% | 0.157 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -73.7 | 133.8 | 177.8 | -65.3 | 171 | 0 | 0 | 0 | 110.6 | G543 M544 F577 L643 K644 | G543-L550 WeakPolarHBondContact O-CA 3.32Å; G543-L550 WeakPolarHBondContact O-CD2 3.46Å; M544-L550 HydrophobicContact CE-CD2 3.62Å; M544-L550 HydrophobicContact CE-CG 4.45Å; M544-L550 HydrophobicContact SD-CD2 4.35Å; L550-F577 HydrophobicContact CD2-CD2 4.45Å; L550-F577 HydrophobicContact CD2-CE2 3.34Å; L550-F577 HydrophobicContact CD2-CZ 3.64Å; L550-L643 WeakPolarHBondContact CD1-O 3.22Å; L550-K644 HydrophobicContact CB-CG 4.09Å; L550-K644 HydrophobicContact CD1-CB 4.39Å; L550-K644 HydrophobicContact CD1-CG 3.98Å |
| 551 | E | 95.4 | Very high | 95.3 | Very high | 87 Ų | 87 | 44 Ų | 44 | 41% | 0.407 | 24% | 0.239 | S | C | . | . | trans | -69.1 | 177 | -178.6 | -65 | -178 | 140.8 | 0 | 0 | 112.3 | G543 T553 F640 K644 | G543-E551 WeakPolarHBondContact CA-OE2 3.32Å; G543-E551 PolarHBondContact N-OE2 3.03Å; G543-E551 PolarHBondContact O-N 2.9Å; E551-T553 VanDerWaalsContact C-N 3.31Å; E551-F640 WeakPolarHBondContact O-CZ 3.4Å; E551-K644 PolarHBondContact O-NZ 2.89Å | ||
| 552 | E | 93.8 | Very high | 95.2 | Very high | 179 Ų | 179 | 45.2 Ų | 45.2 | 84% | 0.836 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -65 | -37.7 | 176.1 | -70 | -169.8 | 170 | 0 | 0 | 112.2 | K644 | E552-K644 PolarHBondContact O-NZ 3.35Š|
| 553 | T | 95.1 | Very high | 95.2 | Very high | 102 Ų | 102 | 44 Ų | 44 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -132.5 | 154.2 | 179.4 | 58 | 0 | 0 | 0 | 0 | 109.9 | E551 F640 | E551-T553 VanDerWaalsContact C-N 3.31Å; T553-F640 VanDerWaalsContact C-CZ 3.44Å; T553-F640 VanDerWaalsContact CA-CE1 3.43Å |
| 554 | G | 96.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 44 Ų | 44 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | trans | -165 | 165.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P542 F640 | P542-G554 CarbonylContact O-C 3.52Å; P542-G554 VanDerWaalsContact O-CA 3.27Å; P542-G554 WeakPolarHBondContact O-CA 3.34Å; G554-F640 VanDerWaalsContact N-CE1 3.33Å | ||
| 555 | V | 98.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | trans | -115.8 | 106.1 | -179.2 | 176.2 | 0 | 0 | 0 | 0 | 108 | W475 A541 P542 A557 V560 F602 Y606 | W475-V555 HydrophobicContact CD2-CG2 4.32Å; W475-V555 HydrophobicContact CE3-CG2 4.14Å; W475-V555 HydrophobicContact CH2-CG1 4.23Å; W475-V555 HydrophobicContact CH2-CG2 3.79Å; W475-V555 HydrophobicContact CZ2-CG2 3.99Å; W475-V555 HydrophobicContact CZ3-CB 4.4Å; W475-V555 HydrophobicContact CZ3-CG1 4.41Å; W475-V555 HydrophobicContact CZ3-CG2 3.87Å; A541-V555 HydrophobicContact CB-CB 4.33Å; A541-V555 WeakPolarHBondContact CB-O 3.2Å; P542-V555 HydrophobicContact CG-CB 3.93Å; P542-V555 HydrophobicContact CG-CG2 3.7Å; P542-V555 PolarHBondContact O-N 3.37Å; V555-A557 PolarHBondContact O-N 2.99Å; V555-V560 HydrophobicContact CG1-CG2 3.73Å; V555-F602 HydrophobicContact CG1-CE1 3.66Å; V555-F602 HydrophobicContact CG1-CZ 3.96Å; V555-Y606 HydrophobicContact CG2-CD1 4.35Å; V555-Y606 HydrophobicContact CG2-CE1 3.72Å | ||
| 556 | P | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -62 | 128 | -178.8 | -26.1 | 36.9 | 0 | 0 | 0 | 111.9 | A558 L559 V560 M639 F640 L643 | P556-A558 VanDerWaalsContact C-N 3.26Å; P556-A558 PolarHBondContact O-N 3.32Å; P556-L559 WeakPolarHBondContact O-CB 3.38Å; P556-L559 PolarHBondContact O-N 2.85Å; P556-L559 VanDerWaalsContact O-N 3.14Å; P556-V560 PolarHBondContact O-N 2.97Å; P556-M639 HydrophobicContact CB-CB 4.1Å; P556-M639 HydrophobicContact CB-SD 4.34Å; P556-M639 HydrophobicContact CG-CB 3.59Å; P556-F640 HydrophobicContact CG-CB 4.09Å; P556-L643 HydrophobicContact CB-CD1 4.16Å; P556-L643 HydrophobicContact CG-CD1 4.17Å | ||
| 557 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -27.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | V555 L559 V560 T561 T574 T575 D576 I579 | V555-A557 PolarHBondContact O-N 2.99Å; A557-L559 VanDerWaalsContact C-N 3.29Å; A557-L559 PolarHBondContact O-N 2.99Å; A557-V560 PolarHBondContact O-N 3.08Å; A557-T561 WeakPolarHBondContact O-CB 3.43Å; A557-T561 PolarHBondContact O-N 3.1Å; A557-T561 PolarHBondContact O-OG1 3.04Å; A557-T574 HydrophobicContact CB-CG2 3.74Å; A557-T575 WeakPolarHBondContact CB-O 3.17Å; A557-D576 WeakPolarHBondContact CB-O 3.45Å; A557-D576 PolarHBondContact N-O 2.81Å; A557-I579 HydrophobicContact CB-CD1 4.13Å; A557-I579 HydrophobicContact CB-CG1 3.65Å |
| 558 | A | 96.1 | Very high | 95.6 | Very high | 29 Ų | 29 | 45.8 Ų | 45.8 | 24% | 0.24 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57 | -40.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P556 T561 A562 W728 | P556-A558 VanDerWaalsContact C-N 3.26Å; P556-A558 PolarHBondContact O-N 3.32Å; A558-T561 PolarHBondContact O-N 2.86Å; A558-A562 PolarHBondContact O-N 3.39Å; A558-W728 HydrophobicContact CB-CZ2 3.97Å |
| 559 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 177.5 | -178.6 | 58.2 | 0 | 0 | 0 | 111.7 | P556 A557 T561 A562 W563 F602 Y606 M616 I632 L635 M639 F735 | P556-L559 WeakPolarHBondContact O-CB 3.38Å; P556-L559 PolarHBondContact O-N 2.85Å; P556-L559 VanDerWaalsContact O-N 3.14Å; A557-L559 VanDerWaalsContact C-N 3.29Å; A557-L559 PolarHBondContact O-N 2.99Å; L559-T561 VanDerWaalsContact C-N 3.35Å; L559-A562 PolarHBondContact O-N 2.99Å; L559-W563 PolarHBondContact O-N 3.45Å; L559-F602 HydrophobicContact CD2-CZ 4.41Å; L559-F602 HydrophobicContact CG-CE2 4.18Å; L559-F602 HydrophobicContact CG-CZ 4.3Å; L559-Y606 HydrophobicContact CD2-CD2 4.45Å; L559-Y606 HydrophobicContact CD2-CE2 4.06Å; L559-M616 HydrophobicContact CD1-SD 4.08Å; L559-I632 HydrophobicContact CD1-CG1 4.28Å; L559-I632 HydrophobicContact CD2-CG1 4.06Å; L559-I632 HydrophobicContact CG-CG1 4.41Å; L559-L635 HydrophobicContact CD1-CD2 3.81Å; L559-L635 HydrophobicContact CD1-CG 4.37Å; L559-M639 HydrophobicContact CB-SD 4.05Å; L559-F735 HydrophobicContact CD1-CE1 4.27Å; L559-F735 HydrophobicContact CD1-CZ 4.16Å |
| 560 | V | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.2 | -174 | 0 | 0 | 0 | 0 | 110.4 | F477 V555 P556 A557 W563 L564 I579 L599 F602 | F477-V560 HydrophobicContact CE1-CG1 4.08Å; F477-V560 HydrophobicContact CE1-CG2 3.84Å; F477-V560 HydrophobicContact CZ-CG1 3.84Å; F477-V560 HydrophobicContact CZ-CG2 3.92Å; V555-V560 HydrophobicContact CG1-CG2 3.73Å; P556-V560 PolarHBondContact O-N 2.97Å; A557-V560 PolarHBondContact O-N 3.08Å; V560-W563 WeakPolarHBondContact O-CB 3.48Å; V560-W563 PolarHBondContact O-N 2.84Å; V560-L564 HydrophobicContact CG1-CD1 4.26Å; V560-L564 HydrophobicContact CG1-CG 4.47Å; V560-L564 VanDerWaalsContact O-CG 3.28Å; V560-L564 WeakPolarHBondContact O-CG 3.31Å; V560-L564 PolarHBondContact O-N 3.37Å; V560-I579 HydrophobicContact CB-CD1 3.52Å; V560-I579 HydrophobicContact CG1-CD1 3.4Å; V560-I579 VanDerWaalsContact CG1-CD1 3.4Å; V560-I579 HydrophobicContact CG2-CD1 4.24Å; V560-L599 HydrophobicContact CG1-CD2 4.04Å; V560-F602 HydrophobicContact CG2-CD1 4.32Å; V560-F602 HydrophobicContact CG2-CE1 3.76Å; V560-F602 HydrophobicContact CG2-CE2 4.24Å; V560-F602 HydrophobicContact CG2-CZ 3.7Å |
| 561 | T | 97 | Very high | 95.8 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.2 | -71 | 0 | 0 | 0 | 0 | 111.9 | A557 A558 L559 W563 L564 G565 P571 T574 | A557-T561 WeakPolarHBondContact O-CB 3.43Å; A557-T561 PolarHBondContact O-N 3.1Å; A557-T561 PolarHBondContact O-OG1 3.04Å; A558-T561 PolarHBondContact O-N 2.86Å; L559-T561 VanDerWaalsContact C-N 3.35Å; T561-W563 VanDerWaalsContact C-N 3.33Å; T561-W563 PolarHBondContact O-N 2.89Å; T561-L564 PolarHBondContact O-N 2.9Å; T561-G565 PolarHBondContact O-N 2.7Å; T561-P571 HydrophobicContact CG2-CG 4.07Å; T561-T574 WeakPolarHBondContact OG1-CG2 3.3Å; T561-T574 PolarHBondContact OG1-OG1 3.37Å |
| 562 | A | 96.4 | Very high | 95.7 | Very high | 32 Ų | 32 | 43 Ų | 43 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A558 L559 G565 R566 M616 F735 | A558-A562 PolarHBondContact O-N 3.39Å; L559-A562 PolarHBondContact O-N 2.99Å; A562-G565 PolarHBondContact O-N 2.75Å; A562-R566 PolarHBondContact O-N 3.24Å; A562-M616 HydrophobicContact CB-CE 3.69Å; A562-F735 HydrophobicContact CB-CD1 4.31Å; A562-F735 HydrophobicContact CB-CE1 3.56Å; A562-F735 HydrophobicContact CB-CZ 4.33Å |
| 563 | W | 97.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 35 Ų | 35 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 173 | 171.6 | -92.5 | 0 | 0 | 0 | 112.4 | L559 V560 T561 G565 R566 H567 T598 F602 H605 V615 I632 | L559-W563 PolarHBondContact O-N 3.45Å; V560-W563 WeakPolarHBondContact O-CB 3.48Å; V560-W563 PolarHBondContact O-N 2.84Å; T561-W563 VanDerWaalsContact C-N 3.33Å; T561-W563 PolarHBondContact O-N 2.89Å; W563-G565 VanDerWaalsContact C-N 3.33Å; W563-G565 PolarHBondContact O-N 3.34Å; W563-R566 WeakPolarHBondContact O-CB 3.47Å; W563-R566 PolarHBondContact O-N 3.37Å; W563-H567 AromaticContact CE2-CD2 3.84Å; W563-H567 AromaticContact CE2-NE2 3.72Å; W563-H567 AromaticContact CH2-NE2 3.91Å; W563-H567 AromaticContact CZ2-NE2 3.55Å; W563-H567 AromaticContact NE1-CD2 3.86Å; W563-H567 PolarHBondContact O-CD2 3.38Å; W563-H567 PolarHBondContact O-N 3.5Å; W563-T598 PolarHBondContact NE1-O 3.23Å; W563-T598 VanDerWaalsContact NE1-O 3.07Å; W563-F602 HydrophobicContact CB-CD2 3.64Å; W563-F602 HydrophobicContact CB-CE2 4.1Å; W563-F602 AromaticContact CD1-CD2 3.8Å; W563-F602 HydrophobicContact CD2-CB 4.33Å; W563-F602 AromaticContact CD2-CD2 3.89Å; W563-F602 HydrophobicContact CD2-CD2 3.89Å; W563-F602 HydrophobicContact CG-CB 4.13Å; W563-F602 AromaticContact CG-CD2 3.49Å; W563-F602 HydrophobicContact CG-CD2 3.49Å; W563-F602 VanDerWaalsContact CG-CD2 3.49Å; W563-F602 HydrophobicContact CG-CE2 4.39Å; W563-F602 HydrophobicContact CG-CG 4.26Å; W563-H605 HydrophobicContact CH2-CB 4.38Å; W563-H605 AromaticContact CH2-CD2 3.58Å; W563-V615 HydrophobicContact CH2-CG1 4.47Å; W563-V615 HydrophobicContact CZ3-CB 3.83Å; W563-V615 HydrophobicContact CZ3-CG1 3.96Å; W563-I632 HydrophobicContact CE3-CD1 4.21Å |
| 564 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 177.2 | -69.9 | 171.5 | 0 | 0 | 0 | 111.5 | V560 T561 R566 H567 G568 I569 P571 I579 F581 L595 T598 L599 | V560-L564 HydrophobicContact CG1-CD1 4.26Å; V560-L564 HydrophobicContact CG1-CG 4.47Å; V560-L564 VanDerWaalsContact O-CG 3.28Å; V560-L564 WeakPolarHBondContact O-CG 3.31Å; V560-L564 PolarHBondContact O-N 3.37Å; T561-L564 PolarHBondContact O-N 2.9Å; L564-R566 VanDerWaalsContact C-N 3.29Å; L564-R566 PolarHBondContact O-N 2.97Å; L564-H567 CarbonylContact O-C 3.58Å; L564-H567 WeakPolarHBondContact O-CA 3.45Å; L564-H567 PolarHBondContact O-N 2.83Å; L564-G568 PolarHBondContact O-N 3.24Å; L564-I569 CarbonylContact C-O 3.54Å; L564-I569 HydrophobicContact CB-CB 4.1Å; L564-I569 HydrophobicContact CB-CG2 4.26Å; L564-I569 HydrophobicContact CD2-CB 4.34Å; L564-I569 HydrophobicContact CD2-CD1 4.17Å; L564-I569 HydrophobicContact CD2-CG2 4.2Å; L564-I569 PolarHBondContact O-N 3.46Å; L564-P571 HydrophobicContact CD1-CG 3.79Å; L564-I579 HydrophobicContact CD1-CG2 4.33Å; L564-F581 HydrophobicContact CD1-CE1 4.17Å; L564-F581 HydrophobicContact CD1-CZ 3.74Å; L564-L595 HydrophobicContact CD2-CD1 3.82Å; L564-T598 HydrophobicContact CD2-CG2 3.75Å; L564-L599 HydrophobicContact CD2-CD2 4.26Å |
| 565 | G | 95.1 | Very high | 95.4 | Very high | 41 Ų | 41 | 33 Ų | 33 | 42% | 0.423 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.9 | -39.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | T561 A562 W563 H567 G568 I569 | T561-G565 PolarHBondContact O-N 2.7Å; A562-G565 PolarHBondContact O-N 2.75Å; W563-G565 VanDerWaalsContact C-N 3.33Å; W563-G565 PolarHBondContact O-N 3.34Å; G565-H567 PolarHBondContact O-N 2.83Å; G565-G568 PolarHBondContact O-N 3.12Å; G565-I569 WeakPolarHBondContact CA-O 3.49Å; G565-I569 PolarHBondContact N-O 3.43Å |
| 566 | R | 93.8 | Very high | 95.2 | Very high | 107 Ų | 107 | 34.6 Ų | 34.6 | 40% | 0.404 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.6 | -28.3 | 174.5 | -178.8 | 169.6 | 174.5 | 68 | -3 | 113.4 | A562 W563 L564 G568 V615 P617 E618 | A562-R566 PolarHBondContact O-N 3.24Å; W563-R566 WeakPolarHBondContact O-CB 3.47Å; W563-R566 PolarHBondContact O-N 3.37Å; L564-R566 VanDerWaalsContact C-N 3.29Å; L564-R566 PolarHBondContact O-N 2.97Å; R566-G568 VanDerWaalsContact C-N 3.33Å; R566-V615 WeakPolarHBondContact CD-O 3.43Å; R566-V615 PolarHBondContact NE-O 3.48Å; R566-P617 VanDerWaalsContact NH2-CD 3.28Å; R566-E618 IonicContact CZ-OE1 2.71Å; R566-E618 IonicContact CZ-OE2 3.9Å; R566-E618 IonicContact NH1-OE1 3.99Å; R566-E618 PolarHBondContact NH1-OE1 2.92Å; R566-E618 IonicContact NH1-OE2 3Å; R566-E618 PolarHBondContact NH1-OE2 3.28Å; R566-E618 IonicContact NH2-OE1 3.47Å |
| 567 | H | 93.7 | Very high | 95.1 | Very high | 96 Ų | 96 | 34.7 Ų | 34.7 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 12.3 | 175.4 | -72.4 | -74.4 | 0 | 0 | 0 | 113.4 | W563 L564 G565 I569 T598 | W563-H567 AromaticContact CE2-CD2 3.84Å; W563-H567 AromaticContact CE2-NE2 3.72Å; W563-H567 AromaticContact CH2-NE2 3.91Å; W563-H567 AromaticContact CZ2-NE2 3.55Å; W563-H567 AromaticContact NE1-CD2 3.86Å; W563-H567 PolarHBondContact O-CD2 3.38Å; W563-H567 PolarHBondContact O-N 3.5Å; L564-H567 CarbonylContact O-C 3.58Å; L564-H567 WeakPolarHBondContact O-CA 3.45Å; L564-H567 PolarHBondContact O-N 2.83Å; G565-H567 PolarHBondContact O-N 2.83Å; H567-I569 VanDerWaalsContact C-N 3.25Å; H567-I569 PolarHBondContact O-N 2.75Å; H567-T598 HydrophobicContact CB-CG2 3.99Å |
| 568 | G | 93.8 | Very high | 95.1 | Very high | 65 Ų | 65 | 34.7 Ų | 34.7 | 67% | 0.67 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 18 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L564 G565 R566 | L564-G568 PolarHBondContact O-N 3.24Å; G565-G568 PolarHBondContact O-N 3.12Å; R566-G568 VanDerWaalsContact C-N 3.33Å |
| 569 | I | 94.6 | Very high | 95.2 | Very high | 29 Ų | 29 | 33.3 Ų | 33.3 | 15% | 0.149 | 21% | 0.205 | C | C | . | . | trans | -102.3 | 120.2 | 176.4 | -60.1 | 174.1 | 0 | 0 | 0 | 108.1 | L564 G565 H567 P571 F581 L595 T598 | L564-I569 CarbonylContact C-O 3.54Å; L564-I569 HydrophobicContact CB-CB 4.1Å; L564-I569 HydrophobicContact CB-CG2 4.26Å; L564-I569 HydrophobicContact CD2-CB 4.34Å; L564-I569 HydrophobicContact CD2-CD1 4.17Å; L564-I569 HydrophobicContact CD2-CG2 4.2Å; L564-I569 PolarHBondContact O-N 3.46Å; G565-I569 WeakPolarHBondContact CA-O 3.49Å; G565-I569 PolarHBondContact N-O 3.43Å; H567-I569 VanDerWaalsContact C-N 3.25Å; H567-I569 PolarHBondContact O-N 2.75Å; I569-P571 WeakPolarHBondContact O-CD 3.38Å; I569-F581 HydrophobicContact CG2-CE1 4.06Å; I569-L595 HydrophobicContact CD1-CD1 4.3Å; I569-L595 HydrophobicContact CG2-CD1 4.12Å; I569-T598 HydrophobicContact CD1-CG2 4.18Å | ||
| 570 | V | 93.4 | Very high | 95.1 | Very high | 124 Ų | 124 | 33.3 Ų | 33.3 | 75% | 0.752 | 21% | 0.205 | S | C | * | . | trans | -110.4 | 107.2 | -178.4 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 571 | P | 94 | Very high | 95 | Very high | 16 Ų | 16 | 34 Ų | 34 | 10% | 0.104 | 21% | 0.208 | C | C | . | . | trans | -61.9 | 152.4 | 166.6 | -21 | 33.9 | 0 | 0 | 0 | 111.2 | T561 L564 I569 I579 M580 F581 | T561-P571 HydrophobicContact CG2-CG 4.07Å; L564-P571 HydrophobicContact CD1-CG 3.79Å; I569-P571 WeakPolarHBondContact O-CD 3.38Å; P571-I579 HydrophobicContact CB-CG2 3.61Å; P571-I579 HydrophobicContact CG-CG2 3.68Å; P571-M580 CarbonylContact C-O 3.57Å; P571-M580 WeakPolarHBondContact CA-O 3.43Å; P571-M580 WeakPolarHBondContact CB-O 3.4Å; P571-F581 HydrophobicContact CB-CE1 4.12Å; P571-F581 HydrophobicContact CG-CE1 3.94Å; P571-F581 HydrophobicContact CG-CZ 4.29Å | ||
| 572 | T | 92.2 | Very high | 94.9 | Very high | 34 Ų | 34 | 34.4 Ų | 34.4 | 21% | 0.209 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -80.6 | -32.2 | 178.5 | -157.9 | 0 | 0 | 0 | 0 | 112.5 | Y324 M580 L582 | Y324-T572 HydrophobicContact CE1-CG2 3.86Å; Y324-T572 PolarHBondContact OH-O 3.48Å; Y324-T572 PolarHBondContact OH-OG1 3.03Å; T572-M580 HydrophobicContact CG2-CB 3.62Å; T572-M580 HydrophobicContact CG2-CE 4.19Å; T572-M580 HydrophobicContact CG2-CG 3.65Å; T572-M580 HydrophobicContact CG2-SD 3.49Å; T572-M580 WeakPolarHBondContact CG2-SD 3.28Å; T572-M580 PolarHBondContact N-O 2.88Å; T572-L582 HydrophobicContact CG2-CD1 4.23Å; T572-L582 HydrophobicContact CG2-CD2 3.95Å; T572-L582 HydrophobicContact CG2-CG 3.69Å; T572-L582 WeakPolarHBondContact OG1-CD1 3.46Å |
| 573 | R | 93.1 | Very high | 94.8 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 144.9 | -178.8 | 176.5 | 174.2 | -174.6 | -113.7 | -4.3 | 109.8 | G281 Y324 D325 M580 P699 | G281-R573 PolarHBondContact O-NH2 2.76Å; Y324-R573 HydrophobicContact CD1-CB 4.35Å; Y324-R573 HydrophobicContact CE1-CB 3.64Å; Y324-R573 HydrophobicContact CE1-CG 4.39Å; D325-R573 IonicContact OD1-CZ 3.55Å; D325-R573 IonicContact OD1-NH1 3.72Å; D325-R573 PolarHBondContact OD1-NH1 3.3Å; D325-R573 IonicContact OD2-CZ 2.74Å; D325-R573 IonicContact OD2-NH1 3.52Å; D325-R573 PolarHBondContact OD2-NH1 3.31Å; R573-M580 HydrophobicContact CB-CB 4.06Å; R573-M580 HydrophobicContact CB-SD 4.45Å; R573-M580 PolarHBondContact O-N 3.22Å; R573-P699 HydrophobicContact CB-CG 4.27Å; R573-P699 HydrophobicContact CG-CG 4.29Å |
| 574 | T | 94.4 | Very high | 94.6 | Very high | 44 Ų | 44 | 34.9 Ų | 34.9 | 27% | 0.27 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.8 | 175.2 | -54.9 | 0 | 0 | 0 | 0 | 108.2 | A557 T561 Q578 | A557-T574 HydrophobicContact CB-CG2 3.74Å; T561-T574 WeakPolarHBondContact OG1-CG2 3.3Å; T561-T574 PolarHBondContact OG1-OG1 3.37Å; T574-Q578 CarbonylContact C-O 3.56Å; T574-Q578 WeakPolarHBondContact CA-O 3.36Å |
| 575 | T | 93 | Very high | 94.3 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | trans | -110.8 | -161.9 | 163.9 | 74.8 | 0 | 0 | 0 | 0 | 109.4 | Y280 A557 F577 Q578 | Y280-T575 WeakPolarHBondContact O-CB 3.46Å; Y280-T575 WeakPolarHBondContact O-CG2 3.42Å; Y280-T575 PolarHBondContact O-OG1 2.66Å; A557-T575 WeakPolarHBondContact CB-O 3.17Å; T575-F577 VanDerWaalsContact C-N 3.27Å; T575-F577 PolarHBondContact O-N 3.16Å; T575-Q578 PolarHBondContact N-O 3.48Å; T575-Q578 WeakPolarHBondContact OG1-CB 3.23Å; T575-Q578 PolarHBondContact OG1-N 3.32Å | ||
| 576 | D | 93.5 | Very high | 93.8 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -58.5 | -38.9 | 177.9 | -60.7 | -20.6 | 0 | 0 | 0 | 112.5 | A557 L643 G649 | A557-D576 WeakPolarHBondContact CB-O 3.45Å; A557-D576 PolarHBondContact N-O 2.81Å; D576-L643 HydrophobicContact CB-CD2 4.45Å; D576-G649 VanDerWaalsContact OD2-CA 3.22Å; D576-G649 WeakPolarHBondContact OD2-CA 3.37Å; D576-G649 PolarHBondContact OD2-N 3.02Å |
| 577 | F | 96.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -134.8 | -5.6 | -175.8 | -58.9 | -75.9 | 0 | 0 | 0 | 114.7 | Y280 L540 A541 P542 M544 L550 T575 F640 L643 | Y280-F577 HydrophobicContact CD1-CB 4.31Å; L540-F577 CarbonylContact C-O 3.58Å; L540-F577 WeakPolarHBondContact CA-O 3.45Å; A541-F577 PolarHBondContact N-O 2.88Å; P542-F577 WeakPolarHBondContact O-CD1 3.5Å; M544-F577 HydrophobicContact CB-CD2 3.92Å; M544-F577 HydrophobicContact CB-CE2 4.35Å; M544-F577 HydrophobicContact CB-CG 4.29Å; M544-F577 HydrophobicContact CE-CD2 4.13Å; M544-F577 HydrophobicContact CE-CE2 4.1Å; L550-F577 HydrophobicContact CD2-CD2 4.45Å; L550-F577 HydrophobicContact CD2-CE2 3.34Å; L550-F577 HydrophobicContact CD2-CZ 3.64Å; T575-F577 VanDerWaalsContact C-N 3.27Å; T575-F577 PolarHBondContact O-N 3.16Å; F577-F640 AromaticContact CE1-CD2 3.96Å; F577-F640 HydrophobicContact CE1-CD2 3.96Å; F577-F640 AromaticContact CE1-CE2 3.82Å; F577-F640 HydrophobicContact CE1-CE2 3.82Å; F577-F640 AromaticContact CZ-CD2 3.92Å; F577-F640 HydrophobicContact CZ-CD2 3.92Å; F577-F640 AromaticContact CZ-CE2 3.64Å; F577-F640 HydrophobicContact CZ-CE2 3.64Å; F577-L643 HydrophobicContact CE1-CD1 4.35Å; F577-L643 HydrophobicContact CE2-CD1 4.44Å; F577-L643 HydrophobicContact CZ-CD1 3.82Å |
| 578 | Q | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 138.5 | 177 | 176.7 | -96.6 | 6.5 | 0 | 0 | 111 | I282 S538 I539 L540 T574 T575 M580 | I282-Q578 HydrophobicContact CD1-CG 4.14Å; I282-Q578 HydrophobicContact CG1-CG 4.29Å; S538-Q578 PolarHBondContact OG-NE2 3.26Å; I539-Q578 WeakPolarHBondContact O-CA 3.21Å; L540-Q578 HydrophobicContact CD2-CB 3.98Å; L540-Q578 HydrophobicContact CD2-CG 4.21Å; T574-Q578 CarbonylContact C-O 3.56Å; T574-Q578 WeakPolarHBondContact CA-O 3.36Å; T575-Q578 PolarHBondContact N-O 3.48Å; T575-Q578 WeakPolarHBondContact OG1-CB 3.23Å; T575-Q578 PolarHBondContact OG1-N 3.32Å; Q578-M580 VanDerWaalsContact NE2-CB 3.33Å |
| 579 | I | 97.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 123.7 | 172.6 | -52 | 166.5 | 0 | 0 | 0 | 107.8 | S538 I539 A557 V560 L564 P571 F581 | S538-I579 WeakPolarHBondContact CA-O 3.45Å; I539-I579 HydrophobicContact CD1-CB 4.43Å; I539-I579 HydrophobicContact CD1-CD1 4.38Å; I539-I579 HydrophobicContact CG1-CB 3.9Å; I539-I579 HydrophobicContact CG1-CD1 4.48Å; I539-I579 PolarHBondContact N-O 3.36Å; I539-I579 PolarHBondContact O-N 3.02Å; A557-I579 HydrophobicContact CB-CD1 4.13Å; A557-I579 HydrophobicContact CB-CG1 3.65Å; V560-I579 HydrophobicContact CB-CD1 3.52Å; V560-I579 HydrophobicContact CG1-CD1 3.4Å; V560-I579 VanDerWaalsContact CG1-CD1 3.4Å; V560-I579 HydrophobicContact CG2-CD1 4.24Å; L564-I579 HydrophobicContact CD1-CG2 4.33Å; P571-I579 HydrophobicContact CB-CG2 3.61Å; P571-I579 HydrophobicContact CG-CG2 3.68Å; I579-F581 HydrophobicContact CB-CE2 4.43Å; I579-F581 HydrophobicContact CG2-CE1 4.43Å; I579-F581 HydrophobicContact CG2-CE2 3.81Å; I579-F581 HydrophobicContact CG2-CZ 3.66Å |
| 580 | M | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 138.6 | -174.5 | -158.4 | -171.3 | 164.5 | 0 | 0 | 112.5 | Y324 K536 V537 P571 T572 R573 Q578 L582 | Y324-M580 HydrophobicContact CD1-SD 3.86Å; Y324-M580 HydrophobicContact CE1-SD 3.84Å; Y324-M580 WeakPolarHBondContact O-CE 3.48Å; K536-M580 HydrophobicContact CB-CE 3.76Å; K536-M580 HydrophobicContact CD-CE 3.77Å; K536-M580 HydrophobicContact CG-CE 4.27Å; V537-M580 CarbonylContact O-C 3.28Å; V537-M580 WeakPolarHBondContact O-CA 3.33Å; P571-M580 CarbonylContact C-O 3.57Å; P571-M580 WeakPolarHBondContact CA-O 3.43Å; P571-M580 WeakPolarHBondContact CB-O 3.4Å; T572-M580 HydrophobicContact CG2-CB 3.62Å; T572-M580 HydrophobicContact CG2-CE 4.19Å; T572-M580 HydrophobicContact CG2-CG 3.65Å; T572-M580 HydrophobicContact CG2-SD 3.49Å; T572-M580 WeakPolarHBondContact CG2-SD 3.28Å; T572-M580 PolarHBondContact N-O 2.88Å; R573-M580 HydrophobicContact CB-CB 4.06Å; R573-M580 HydrophobicContact CB-SD 4.45Å; R573-M580 PolarHBondContact O-N 3.22Å; Q578-M580 VanDerWaalsContact NE2-CB 3.33Å; M580-L582 HydrophobicContact CE-CD2 3.64Å |
| 581 | F | 95.5 | Very high | 89.6 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.2 | 172.9 | -56.6 | -82.1 | 0 | 0 | 0 | 110.6 | V537 I539 L564 I569 P571 I579 F583 L595 | V537-F581 PolarHBondContact N-O 3.21Å; V537-F581 PolarHBondContact O-N 2.85Å; I539-F581 HydrophobicContact CD1-CE2 3.86Å; I539-F581 HydrophobicContact CG1-CE2 4.03Å; L564-F581 HydrophobicContact CD1-CE1 4.17Å; L564-F581 HydrophobicContact CD1-CZ 3.74Å; I569-F581 HydrophobicContact CG2-CE1 4.06Å; P571-F581 HydrophobicContact CB-CE1 4.12Å; P571-F581 HydrophobicContact CG-CE1 3.94Å; P571-F581 HydrophobicContact CG-CZ 4.29Å; I579-F581 HydrophobicContact CB-CE2 4.43Å; I579-F581 HydrophobicContact CG2-CE1 4.43Å; I579-F581 HydrophobicContact CG2-CE2 3.81Å; I579-F581 HydrophobicContact CG2-CZ 3.66Å; F581-F583 HydrophobicContact CB-CE2 4.17Å; F581-L595 HydrophobicContact CD1-CD2 3.97Å; F581-L595 HydrophobicContact CD2-CD2 4.03Å; F581-L595 HydrophobicContact CE1-CD1 3.83Å; F581-L595 HydrophobicContact CE1-CD2 3.94Å; F581-L595 HydrophobicContact CE2-CD1 4.34Å; F581-L595 HydrophobicContact CE2-CD2 4Å; F581-L595 HydrophobicContact CG-CD2 4.01Å; F581-L595 HydrophobicContact CZ-CD1 3.66Å; F581-L595 HydrophobicContact CZ-CD2 3.95Å; F581-L595 HydrophobicContact CZ-CG 4.44Å |
| 582 | L | 94.2 | Very high | 89.4 | Confident | 43 Ų | 43 | 38.7 Ų | 38.7 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 116.4 | 172.6 | -58.7 | 178.9 | 0 | 0 | 0 | 109 | W351 K536 T572 M580 | W351-L582 HydrophobicContact CE3-CD1 4.18Å; W351-L582 HydrophobicContact CH2-CD1 3.76Å; W351-L582 HydrophobicContact CZ3-CD1 3.4Å; W351-L582 VanDerWaalsContact CZ3-CD1 3.4Å; K536-L582 HydrophobicContact CD-CD2 3.3Å; T572-L582 HydrophobicContact CG2-CD1 4.23Å; T572-L582 HydrophobicContact CG2-CD2 3.95Å; T572-L582 HydrophobicContact CG2-CG 3.69Å; T572-L582 WeakPolarHBondContact OG1-CD1 3.46Å; M580-L582 HydrophobicContact CE-CD2 3.64Å |
| 583 | F | 95.4 | Very high | 89.5 | Confident | 12 Ų | 12 | 38.6 Ų | 38.6 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | trans | -86.2 | 110.4 | 167.1 | -75.5 | -114.6 | 0 | 0 | 0 | 107.3 | V451 E454 A455 F458 I535 V537 F581 W592 | V451-F583 HydrophobicContact CG1-CB 3.95Å; V451-F583 WeakPolarHBondContact CG1-O 3.31Å; E454-F583 HydrophobicContact CB-CD1 4.37Å; A455-F583 HydrophobicContact CB-CB 4Å; A455-F583 HydrophobicContact CB-CD1 3.96Å; A455-F583 HydrophobicContact CB-CD2 4.39Å; A455-F583 HydrophobicContact CB-CG 3.86Å; F458-F583 HydrophobicContact CB-CE1 3.98Å; F458-F583 HydrophobicContact CB-CZ 3.67Å; F458-F583 AromaticContact CD1-CE2 3.8Å; F458-F583 HydrophobicContact CD1-CE2 3.8Å; F458-F583 AromaticContact CD1-CZ 3.5Å; F458-F583 HydrophobicContact CD1-CZ 3.5Å; F458-F583 VanDerWaalsContact CD1-CZ 3.5Å; F458-F583 HydrophobicContact CD2-CZ 4.4Å; F458-F583 HydrophobicContact CE1-CE2 4.26Å; F458-F583 HydrophobicContact CE1-CZ 4.23Å; F458-F583 HydrophobicContact CG-CE1 4.38Å; F458-F583 HydrophobicContact CG-CE2 4.36Å; F458-F583 AromaticContact CG-CZ 3.59Å; F458-F583 HydrophobicContact CG-CZ 3.59Å; I535-F583 HydrophobicContact CB-CB 4.14Å; I535-F583 WeakPolarHBondContact CD1-O 3.49Å; I535-F583 WeakPolarHBondContact CG1-O 3.4Å; I535-F583 PolarHBondContact O-N 3.29Å; V537-F583 HydrophobicContact CB-CD2 4.12Å; V537-F583 HydrophobicContact CB-CE2 3.92Å; V537-F583 HydrophobicContact CG2-CD2 3.49Å; V537-F583 VanDerWaalsContact CG2-CD2 3.49Å; V537-F583 HydrophobicContact CG2-CE2 3.56Å; V537-F583 HydrophobicContact CG2-CG 4.36Å; V537-F583 HydrophobicContact CG2-CZ 4.46Å; F581-F583 HydrophobicContact CB-CE2 4.17Å; F583-W592 HydrophobicContact CE1-CB 4.07Å; F583-W592 HydrophobicContact CZ-CB 4.13Å | ||
| 584 | S | 93 | Very high | 89.5 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | trans | -109.9 | 168.2 | 179.9 | 72.6 | 0 | 0 | 0 | 0 | 111 | G586 V587 | S584-G586 PolarHBondContact O-N 3.48Å; S584-G586 PolarHBondContact OG-N 2.93Å; S584-V587 WeakPolarHBondContact O-CB 3.29Å; S584-V587 WeakPolarHBondContact O-CG2 3.42Å; S584-V587 PolarHBondContact O-N 2.87Å | ||
| 585 | M | 90.5 | Very high | 89.5 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 13% | 0.128 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -10.8 | 174.2 | -71.4 | -174.2 | -79.9 | 0 | 0 | 114.3 | L388 L389 M439 L447 V451 | L388-M585 WeakPolarHBondContact O-CE 3.09Å; L389-M585 VanDerWaalsContact CA-CE 3.48Å; L389-M585 HydrophobicContact CB-CE 4.17Å; L389-M585 HydrophobicContact CD2-CE 3.42Å; L389-M585 VanDerWaalsContact CD2-CE 3.42Å; L389-M585 HydrophobicContact CG-CE 4.37Å; M439-M585 HydrophobicContact CE-CE 3.72Å; M439-M585 HydrophobicContact CE-SD 3.38Å; M439-M585 WeakPolarHBondContact CE-SD 3.4Å; M439-M585 HydrophobicContact SD-CE 4.19Å; M439-M585 HydrophobicContact SD-SD 4.26Å; L447-M585 HydrophobicContact CB-CG 4.49Å; L447-M585 HydrophobicContact CB-SD 3.7Å; L447-M585 HydrophobicContact CD1-SD 4.31Å; L447-M585 HydrophobicContact CG-SD 4.49Å; V451-M585 HydrophobicContact CG2-CB 4.21Å; V451-M585 HydrophobicContact CG2-CG 3.7Å |
| 586 | G | 85.5 | Confident | 89.7 | Confident | 54 Ų | 54 | 40.9 Ų | 40.9 | 56% | 0.557 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -2.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S584 T588 | S584-G586 PolarHBondContact O-N 3.48Å; S584-G586 PolarHBondContact OG-N 2.93Å; G586-T588 PolarHBondContact O-N 2.74Å |
| 587 | V | 78.5 | Confident | 89.8 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 17% | 0.17 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 125.2 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 109.4 | S584 K591 | S584-V587 WeakPolarHBondContact O-CB 3.29Å; S584-V587 WeakPolarHBondContact O-CG2 3.42Å; S584-V587 PolarHBondContact O-N 2.87Å; V587-K591 HydrophobicContact CG1-CB 4.12Å; V587-K591 HydrophobicContact CG1-CD 4.44Å |
| 588 | T | 74.9 | Confident | 89.9 | Confident | 95 Ų | 95 | 45 Ų | 45 | 58% | 0.583 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 143.1 | 173.3 | 56 | 0 | 0 | 0 | 0 | 110.5 | G586 G590 K591 | G586-T588 PolarHBondContact O-N 2.74Å; T588-G590 PolarHBondContact O-N 3.4Å; T588-K591 VanDerWaalsContact O-CB 3.29Å; T588-K591 WeakPolarHBondContact O-CB 3.5Å; T588-K591 PolarHBondContact O-N 3.12Å |
| 589 | R | 74.6 | Confident | 89.9 | Confident | 129 Ų | 129 | 45 Ų | 45 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 127.1 | 177.4 | -62.1 | -166.6 | -170.1 | 152.8 | 6.7 | 111.7 | S50 E450 E454 K591 | S50-R589 PolarHBondContact O-NH1 3.08Å; S50-R589 PolarHBondContact O-NH2 3.36Å; E450-R589 IonicContact OE2-CZ 3.01Å; E450-R589 VanDerWaalsContact OE2-CZ 3.26Å; E450-R589 IonicContact OE2-NE 3.78Å; E450-R589 PolarHBondContact OE2-NE 3.36Å; E450-R589 IonicContact OE2-NH2 2.77Å; E450-R589 PolarHBondContact OE2-NH2 2.98Å; E454-R589 VanDerWaalsContact OE1-CA 3.24Å; E454-R589 WeakPolarHBondContact OE1-CA 3.48Å; E454-R589 VanDerWaalsContact OE1-CB 3.25Å; E454-R589 WeakPolarHBondContact OE1-CB 3.46Å; E454-R589 VanDerWaalsContact OE1-CG 3.31Å; E454-R589 WeakPolarHBondContact OE1-CG 3.46Å; R589-K591 PolarHBondContact O-N 3.01Å |
| 590 | G | 73.2 | Confident | 89.9 | Confident | 39 Ų | 39 | 46.9 Ų | 46.9 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 2.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | E454 T588 W592 G593 | E454-G590 PolarHBondContact OE2-N 2.88Å; T588-G590 PolarHBondContact O-N 3.4Å; G590-W592 PolarHBondContact O-N 3.12Å; G590-W592 VanDerWaalsContact O-N 3.16Å; G590-G593 PolarHBondContact O-N 2.99Å |
| 591 | K | 79.4 | Confident | 90 | Very high | 127 Ų | 127 | 48 Ų | 48 | 55% | 0.552 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -55.9 | -32.2 | 174.4 | -174.7 | 177.7 | 179.1 | -177.7 | 0 | 112.2 | V587 T588 R589 G593 T594 | V587-K591 HydrophobicContact CG1-CB 4.12Å; V587-K591 HydrophobicContact CG1-CD 4.44Å; T588-K591 VanDerWaalsContact O-CB 3.29Å; T588-K591 WeakPolarHBondContact O-CB 3.5Å; T588-K591 PolarHBondContact O-N 3.12Å; R589-K591 PolarHBondContact O-N 3.01Å; K591-G593 PolarHBondContact O-N 3.38Å; K591-T594 WeakPolarHBondContact O-CB 3.29Å; K591-T594 PolarHBondContact O-N 3.03Å; K591-T594 VanDerWaalsContact O-N 3.13Å |
| 592 | W | 89.7 | Confident | 90.1 | Very high | 61 Ų | 61 | 47.4 Ų | 47.4 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -22.7 | 177.3 | 64 | -103.7 | 0 | 0 | 0 | 112.9 | E454 D457 F458 A461 F583 G590 T594 L595 V596 | E454-W592 PolarHBondContact OE2-NE1 3.36Å; E454-W592 VanDerWaalsContact OE2-NE1 3.11Å; D457-W592 HydrophobicContact CB-CZ2 4.18Å; F458-W592 HydrophobicContact CB-CB 3.89Å; F458-W592 HydrophobicContact CB-CD2 4.15Å; F458-W592 HydrophobicContact CB-CE3 4.47Å; F458-W592 HydrophobicContact CB-CG 3.89Å; F458-W592 HydrophobicContact CD2-CB 3.68Å; F458-W592 HydrophobicContact CD2-CD2 4.38Å; F458-W592 HydrophobicContact CD2-CE3 4.09Å; F458-W592 HydrophobicContact CD2-CG 4.27Å; F458-W592 HydrophobicContact CG-CB 4.02Å; F458-W592 HydrophobicContact CG-CG 4.49Å; A461-W592 HydrophobicContact CB-CE3 4.46Å; A461-W592 HydrophobicContact CB-CH2 4.11Å; A461-W592 HydrophobicContact CB-CZ3 3.71Å; F583-W592 HydrophobicContact CE1-CB 4.07Å; F583-W592 HydrophobicContact CZ-CB 4.13Å; G590-W592 PolarHBondContact O-N 3.12Å; G590-W592 VanDerWaalsContact O-N 3.16Å; W592-T594 VanDerWaalsContact C-N 3.28Å; W592-T594 PolarHBondContact O-N 3.39Å; W592-L595 WeakPolarHBondContact O-CA 3.49Å; W592-L595 WeakPolarHBondContact O-CB 3.44Å; W592-L595 PolarHBondContact O-N 3.13Å; W592-V596 HydrophobicContact CE3-CG2 3.79Å; W592-V596 HydrophobicContact CZ3-CG2 4.12Å; W592-V596 WeakPolarHBondContact O-CG2 3.34Å; W592-V596 PolarHBondContact O-N 3.46Å |
| 593 | G | 92.9 | Very high | 90.3 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -36.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G590 K591 N597 | G590-G593 PolarHBondContact O-N 2.99Å; K591-G593 PolarHBondContact O-N 3.38Å; G593-N597 WeakPolarHBondContact O-CB 3.41Å; G593-N597 PolarHBondContact O-N 3.27Å |
| 594 | T | 93.5 | Very high | 90.4 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 55% | 0.546 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 173.1 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | K591 W592 T598 | K591-T594 WeakPolarHBondContact O-CB 3.29Å; K591-T594 PolarHBondContact O-N 3.03Å; K591-T594 VanDerWaalsContact O-N 3.13Å; W592-T594 VanDerWaalsContact C-N 3.28Å; W592-T594 PolarHBondContact O-N 3.39Å; T594-T598 WeakPolarHBondContact O-CB 3.17Å; T594-T598 PolarHBondContact O-N 2.8Å; T594-T598 PolarHBondContact O-OG1 2.83Å |
| 595 | L | 95.8 | Very high | 90.7 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.1 | -49.7 | 175.7 | 172.7 | 58 | 0 | 0 | 0 | 110.7 | F458 L564 I569 F581 W592 N597 T598 L599 | F458-L595 HydrophobicContact CE1-CD2 4.28Å; F458-L595 HydrophobicContact CE2-CD2 3.69Å; F458-L595 HydrophobicContact CE2-CG 3.96Å; F458-L595 HydrophobicContact CZ-CD2 3.51Å; F458-L595 HydrophobicContact CZ-CG 4.1Å; L564-L595 HydrophobicContact CD2-CD1 3.82Å; I569-L595 HydrophobicContact CD1-CD1 4.3Å; I569-L595 HydrophobicContact CG2-CD1 4.12Å; F581-L595 HydrophobicContact CD1-CD2 3.97Å; F581-L595 HydrophobicContact CD2-CD2 4.03Å; F581-L595 HydrophobicContact CE1-CD1 3.83Å; F581-L595 HydrophobicContact CE1-CD2 3.94Å; F581-L595 HydrophobicContact CE2-CD1 4.34Å; F581-L595 HydrophobicContact CE2-CD2 4Å; F581-L595 HydrophobicContact CG-CD2 4.01Å; F581-L595 HydrophobicContact CZ-CD1 3.66Å; F581-L595 HydrophobicContact CZ-CD2 3.95Å; F581-L595 HydrophobicContact CZ-CG 4.44Å; W592-L595 WeakPolarHBondContact O-CA 3.49Å; W592-L595 WeakPolarHBondContact O-CB 3.44Å; W592-L595 PolarHBondContact O-N 3.13Å; L595-N597 VanDerWaalsContact C-N 3.34Å; L595-N597 PolarHBondContact O-N 2.55Å; L595-T598 PolarHBondContact O-N 3.14Å; L595-T598 VanDerWaalsContact O-N 3.16Å; L595-L599 HydrophobicContact CD1-CD1 4.18Å; L595-L599 HydrophobicContact CD1-CG 4.21Å; L595-L599 HydrophobicContact CG-CD1 4.26Å; L595-L599 WeakPolarHBondContact O-CG 3.44Å; L595-L599 PolarHBondContact O-N 3.43Å |
| 596 | V | 96.3 | Very high | 91.1 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57 | -47.2 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 111 | F458 M462 L465 W592 T598 L599 C600 | F458-V596 HydrophobicContact CD2-CG2 3.77Å; F458-V596 HydrophobicContact CE2-CG2 3.63Å; M462-V596 HydrophobicContact SD-CG2 4.02Å; L465-V596 HydrophobicContact CD1-CG1 3.47Å; L465-V596 VanDerWaalsContact CD1-CG1 3.47Å; W592-V596 HydrophobicContact CE3-CG2 3.79Å; W592-V596 HydrophobicContact CZ3-CG2 4.12Å; W592-V596 WeakPolarHBondContact O-CG2 3.34Å; W592-V596 PolarHBondContact O-N 3.46Å; V596-T598 VanDerWaalsContact C-N 3.33Å; V596-T598 PolarHBondContact O-N 3Å; V596-L599 PolarHBondContact O-N 2.73Å; V596-C600 PolarHBondContact O-N 3.5Å; V596-C600 PolarHBondContact O-SG 2.84Å; V596-C600 VanDerWaalsContact O-SG 3.41Å |
| 597 | N | 95.9 | Very high | 91.7 | Very high | 116 Ų | 116 | 51.5 Ų | 51.5 | 62% | 0.62 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.6 | -40.3 | 178.1 | -171.8 | 24.8 | 0 | 0 | 0 | 112.2 | G593 L595 L599 C600 S601 | G593-N597 WeakPolarHBondContact O-CB 3.41Å; G593-N597 PolarHBondContact O-N 3.27Å; L595-N597 VanDerWaalsContact C-N 3.34Å; L595-N597 PolarHBondContact O-N 2.55Å; N597-L599 VanDerWaalsContact C-N 3.34Å; N597-L599 PolarHBondContact O-N 3.44Å; N597-C600 PolarHBondContact O-N 3.28Å; N597-S601 WeakPolarHBondContact O-CB 3.47Å; N597-S601 PolarHBondContact O-N 2.84Å |
| 598 | T | 97.3 | Very high | 92.6 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 176.9 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | W563 L564 H567 I569 T594 L595 V596 S601 F602 | W563-T598 PolarHBondContact NE1-O 3.23Å; W563-T598 VanDerWaalsContact NE1-O 3.07Å; L564-T598 HydrophobicContact CD2-CG2 3.75Å; H567-T598 HydrophobicContact CB-CG2 3.99Å; I569-T598 HydrophobicContact CD1-CG2 4.18Å; T594-T598 WeakPolarHBondContact O-CB 3.17Å; T594-T598 PolarHBondContact O-N 2.8Å; T594-T598 PolarHBondContact O-OG1 2.83Å; L595-T598 PolarHBondContact O-N 3.14Å; L595-T598 VanDerWaalsContact O-N 3.16Å; V596-T598 VanDerWaalsContact C-N 3.33Å; V596-T598 PolarHBondContact O-N 3Å; T598-S601 PolarHBondContact O-N 2.95Å; T598-F602 PolarHBondContact O-N 2.98Å |
| 599 | L | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 174.4 | -67.1 | 170.5 | 0 | 0 | 0 | 112.1 | M462 F476 F477 I539 V560 L564 L595 V596 N597 S601 F602 K603 | M462-L599 HydrophobicContact CE-CD1 3.89Å; M462-L599 HydrophobicContact SD-CD1 4Å; F476-L599 HydrophobicContact CZ-CB 4.44Å; F477-L599 HydrophobicContact CD2-CB 4.04Å; F477-L599 HydrophobicContact CD2-CD1 4.43Å; F477-L599 HydrophobicContact CD2-CD2 3.97Å; F477-L599 HydrophobicContact CD2-CG 4.36Å; F477-L599 HydrophobicContact CE2-CB 3.98Å; F477-L599 HydrophobicContact CE2-CD2 3.71Å; F477-L599 HydrophobicContact CE2-CG 4.37Å; F477-L599 HydrophobicContact CZ-CD2 4.14Å; I539-L599 HydrophobicContact CD1-CD1 3.71Å; I539-L599 HydrophobicContact CD1-CD2 3.91Å; I539-L599 HydrophobicContact CD1-CG 4.5Å; V560-L599 HydrophobicContact CG1-CD2 4.04Å; L564-L599 HydrophobicContact CD2-CD2 4.26Å; L595-L599 HydrophobicContact CD1-CD1 4.18Å; L595-L599 HydrophobicContact CD1-CG 4.21Å; L595-L599 HydrophobicContact CG-CD1 4.26Å; L595-L599 WeakPolarHBondContact O-CG 3.44Å; L595-L599 PolarHBondContact O-N 3.43Å; V596-L599 PolarHBondContact O-N 2.73Å; N597-L599 VanDerWaalsContact C-N 3.34Å; N597-L599 PolarHBondContact O-N 3.44Å; L599-S601 VanDerWaalsContact C-N 3.3Å; L599-S601 PolarHBondContact O-N 2.98Å; L599-F602 WeakPolarHBondContact O-CB 3.24Å; L599-F602 PolarHBondContact O-N 2.82Å; L599-K603 PolarHBondContact O-N 2.85Å |
| 600 | C | 97.7 | Very high | 94.9 | Very high | 39 Ų | 39 | 46 Ų | 46 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 172.4 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | V596 N597 K603 R604 | V596-C600 PolarHBondContact O-N 3.5Å; V596-C600 PolarHBondContact O-SG 2.84Å; V596-C600 VanDerWaalsContact O-SG 3.41Å; N597-C600 PolarHBondContact O-N 3.28Å; C600-K603 PolarHBondContact O-N 2.96Å; C600-R604 WeakPolarHBondContact O-CB 3.26Å; C600-R604 PolarHBondContact O-N 2.8Å |
| 601 | S | 97.7 | Very high | 96.1 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 176 | -166.3 | 0 | 0 | 0 | 0 | 112.1 | N597 T598 L599 R604 H605 | N597-S601 WeakPolarHBondContact O-CB 3.47Å; N597-S601 PolarHBondContact O-N 2.84Å; T598-S601 PolarHBondContact O-N 2.95Å; L599-S601 VanDerWaalsContact C-N 3.3Å; L599-S601 PolarHBondContact O-N 2.98Å; S601-R604 PolarHBondContact O-N 2.99Å; S601-R604 PolarHBondContact OG-NH2 3.35Å; S601-H605 PolarHBondContact O-CD2 2.65Å; S601-H605 VanDerWaalsContact O-CD2 3.31Å; S601-H605 PolarHBondContact O-N 3.34Å |
| 602 | F | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54 | -56.5 | 172.1 | 176.4 | -96.2 | 0 | 0 | 0 | 110 | W475 F477 V555 L559 V560 W563 T598 L599 R604 H605 Y606 I632 | W475-F602 HydrophobicContact CH2-CD1 4.09Å; W475-F602 AromaticContact CH2-CE1 3.93Å; W475-F602 HydrophobicContact CH2-CE1 3.93Å; F477-F602 HydrophobicContact CE2-CD1 4.3Å; F477-F602 AromaticContact CZ-CD1 3.81Å; F477-F602 HydrophobicContact CZ-CD1 3.81Å; F477-F602 HydrophobicContact CZ-CE1 4.16Å; V555-F602 HydrophobicContact CG1-CE1 3.66Å; V555-F602 HydrophobicContact CG1-CZ 3.96Å; L559-F602 HydrophobicContact CD2-CZ 4.41Å; L559-F602 HydrophobicContact CG-CE2 4.18Å; L559-F602 HydrophobicContact CG-CZ 4.3Å; V560-F602 HydrophobicContact CG2-CD1 4.32Å; V560-F602 HydrophobicContact CG2-CE1 3.76Å; V560-F602 HydrophobicContact CG2-CE2 4.24Å; V560-F602 HydrophobicContact CG2-CZ 3.7Å; W563-F602 HydrophobicContact CB-CD2 3.64Å; W563-F602 HydrophobicContact CB-CE2 4.1Å; W563-F602 AromaticContact CD1-CD2 3.8Å; W563-F602 HydrophobicContact CD2-CB 4.33Å; W563-F602 AromaticContact CD2-CD2 3.89Å; W563-F602 HydrophobicContact CD2-CD2 3.89Å; W563-F602 HydrophobicContact CG-CB 4.13Å; W563-F602 AromaticContact CG-CD2 3.49Å; W563-F602 HydrophobicContact CG-CD2 3.49Å; W563-F602 VanDerWaalsContact CG-CD2 3.49Å; W563-F602 HydrophobicContact CG-CE2 4.39Å; W563-F602 HydrophobicContact CG-CG 4.26Å; T598-F602 PolarHBondContact O-N 2.98Å; L599-F602 WeakPolarHBondContact O-CB 3.24Å; L599-F602 PolarHBondContact O-N 2.82Å; F602-R604 VanDerWaalsContact C-N 3.32Å; F602-R604 PolarHBondContact O-N 2.97Å; F602-H605 PolarHBondContact O-N 2.77Å; F602-H605 VanDerWaalsContact O-N 3.1Å; F602-Y606 AromaticContact CE1-CD2 3.94Å; F602-Y606 HydrophobicContact CE1-CD2 3.94Å; F602-Y606 HydrophobicContact CE1-CG 4.03Å; F602-Y606 HydrophobicContact CE2-CD2 4.45Å; F602-Y606 AromaticContact CZ-CD2 3.65Å; F602-Y606 HydrophobicContact CZ-CD2 3.65Å; F602-Y606 HydrophobicContact CZ-CE2 4.3Å; F602-Y606 HydrophobicContact CZ-CG 4.2Å; F602-Y606 VanDerWaalsContact O-CB 3.27Å; F602-Y606 WeakPolarHBondContact O-CB 3.48Å; F602-Y606 PolarHBondContact O-N 2.94Å; F602-I632 HydrophobicContact CD2-CD1 4.19Å; F602-I632 HydrophobicContact CE2-CD1 3.8Å |
| 603 | K | 98.2 | Very high | 97.3 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.8 | -47.9 | 179.7 | 171.4 | 168.4 | 173.7 | 58.6 | 0 | 111.7 | F469 S474 W475 F476 L599 C600 H605 Y606 D607 | F469-K603 HydrophobicContact CD1-CD 4.42Å; F469-K603 HydrophobicContact CE1-CD 4.16Å; F469-K603 HydrophobicContact CZ-CD 4.3Å; S474-K603 WeakPolarHBondContact OG-CE 3.23Å; S474-K603 PolarHBondContact OG-NZ 3.06Å; W475-K603 HydrophobicContact CH2-CB 4.11Å; W475-K603 HydrophobicContact CH2-CG 4.31Å; W475-K603 HydrophobicContact CZ2-CB 4.09Å; W475-K603 HydrophobicContact CZ2-CD 4.38Å; W475-K603 HydrophobicContact CZ2-CG 3.86Å; W475-K603 VanDerWaalsContact NE1-NZ 3.18Å; W475-K603 WeakPolarHBondContact O-CD 3.35Å; W475-K603 WeakPolarHBondContact O-CE 3.41Å; W475-K603 PolarHBondContact O-NZ 3.35Å; F476-K603 HydrophobicContact CD2-CD 3.66Å; F476-K603 HydrophobicContact CE2-CD 4.24Å; L599-K603 PolarHBondContact O-N 2.85Å; C600-K603 PolarHBondContact O-N 2.96Å; K603-H605 VanDerWaalsContact C-N 3.32Å; K603-H605 PolarHBondContact O-N 2.92Å; K603-Y606 PolarHBondContact O-N 3.39Å; K603-D607 WeakPolarHBondContact CE-OD2 3.26Å; K603-D607 VanDerWaalsContact CG-OD2 3.31Å; K603-D607 WeakPolarHBondContact CG-OD2 3.41Å; K603-D607 IonicContact NZ-OD1 2.68Å; K603-D607 PolarHBondContact NZ-OD1 3.24Å; K603-D607 IonicContact NZ-OD2 3.7Å; K603-D607 PolarHBondContact NZ-OD2 3.11Å; K603-D607 WeakPolarHBondContact O-CB 3.42Å; K603-D607 VanDerWaalsContact O-CG 3.23Å; K603-D607 PolarHBondContact O-N 3.42Å |
| 604 | R | 98 | Very high | 97.5 | Very high | 136 Ų | 136 | 46.1 Ų | 46.1 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 179.1 | -179.5 | 177.7 | 55.4 | 68.9 | 9 | 112.5 | C600 S601 F602 A608 | C600-R604 WeakPolarHBondContact O-CB 3.26Å; C600-R604 PolarHBondContact O-N 2.8Å; S601-R604 PolarHBondContact O-N 2.99Å; S601-R604 PolarHBondContact OG-NH2 3.35Å; F602-R604 VanDerWaalsContact C-N 3.32Å; F602-R604 PolarHBondContact O-N 2.97Å; R604-A608 VanDerWaalsContact O-CB 3.27Å; R604-A608 WeakPolarHBondContact O-CB 3.21Å; R604-A608 PolarHBondContact O-N 3.27Å |
| 605 | H | 98.4 | Very high | 97.6 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 13% | 0.134 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -75.2 | -34.4 | 178.4 | -80.4 | -69 | 0 | 0 | 0 | 112.9 | W563 S601 F602 K603 A608 N609 T610 V615 I632 | W563-H605 HydrophobicContact CH2-CB 4.38Å; W563-H605 AromaticContact CH2-CD2 3.58Å; S601-H605 PolarHBondContact O-CD2 2.65Å; S601-H605 VanDerWaalsContact O-CD2 3.31Å; S601-H605 PolarHBondContact O-N 3.34Å; F602-H605 PolarHBondContact O-N 2.77Å; F602-H605 VanDerWaalsContact O-N 3.1Å; K603-H605 VanDerWaalsContact C-N 3.32Å; K603-H605 PolarHBondContact O-N 2.92Å; H605-A608 PolarHBondContact O-N 3.29Å; H605-N609 PolarHBondContact O-N 2.95Å; H605-T610 PolarHBondContact ND1-OG1 3.08Å; H605-T610 PolarHBondContact O-N 3.35Å; H605-T610 PolarHBondContact O-OG1 3.33Å; H605-V615 HydrophobicContact CB-CG1 4.28Å; H605-I632 VanDerWaalsContact O-CG2 3.3Å; H605-I632 WeakPolarHBondContact O-CG2 3.47Å |
| 606 | Y | 98.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -53.5 | 173.9 | -166.9 | -93 | 0 | 0 | 0 | 111 | W475 V555 L559 F602 K603 A608 N609 I632 H633 | W475-Y606 HydrophobicContact CH2-CD1 4.42Å; W475-Y606 AromaticContact CZ2-CD1 3.59Å; W475-Y606 HydrophobicContact CZ2-CD1 3.59Å; W475-Y606 HydrophobicContact CZ2-CE1 4.25Å; W475-Y606 HydrophobicContact CZ2-CG 4.18Å; V555-Y606 HydrophobicContact CG2-CD1 4.35Å; V555-Y606 HydrophobicContact CG2-CE1 3.72Å; L559-Y606 HydrophobicContact CD2-CD2 4.45Å; L559-Y606 HydrophobicContact CD2-CE2 4.06Å; F602-Y606 AromaticContact CE1-CD2 3.94Å; F602-Y606 HydrophobicContact CE1-CD2 3.94Å; F602-Y606 HydrophobicContact CE1-CG 4.03Å; F602-Y606 HydrophobicContact CE2-CD2 4.45Å; F602-Y606 AromaticContact CZ-CD2 3.65Å; F602-Y606 HydrophobicContact CZ-CD2 3.65Å; F602-Y606 HydrophobicContact CZ-CE2 4.3Å; F602-Y606 HydrophobicContact CZ-CG 4.2Å; F602-Y606 VanDerWaalsContact O-CB 3.27Å; F602-Y606 WeakPolarHBondContact O-CB 3.48Å; F602-Y606 PolarHBondContact O-N 2.94Å; K603-Y606 PolarHBondContact O-N 3.39Å; Y606-A608 PolarHBondContact O-N 3.43Å; Y606-N609 PolarHBondContact O-N 2.81Å; Y606-I632 HydrophobicContact CD2-CG1 4.35Å; Y606-H633 AromaticContact CD1-CD2 3.52Å; Y606-H633 AromaticContact CE1-CD2 3.19Å; Y606-H633 WeakPolarHBondContact CE1-CD2 3.4Å; Y606-H633 AromaticContact CE1-CG 4Å; Y606-H633 AromaticContact CE1-NE2 3.57Å; Y606-H633 AromaticContact CZ-CD2 3.69Å; Y606-H633 WeakPolarHBondContact O-CB 3.43Å |
| 607 | D | 98 | Very high | 97.6 | Very high | 83 Ų | 83 | 43.3 Ų | 43.3 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.6 | -31.5 | 178 | -65.4 | -15.9 | 0 | 0 | 0 | 112.4 | W475 K603 N609 | W475-D607 PolarHBondContact NE1-OD1 2.93Å; K603-D607 WeakPolarHBondContact CE-OD2 3.26Å; K603-D607 VanDerWaalsContact CG-OD2 3.31Å; K603-D607 WeakPolarHBondContact CG-OD2 3.41Å; K603-D607 IonicContact NZ-OD1 2.68Å; K603-D607 PolarHBondContact NZ-OD1 3.24Å; K603-D607 IonicContact NZ-OD2 3.7Å; K603-D607 PolarHBondContact NZ-OD2 3.11Å; K603-D607 WeakPolarHBondContact O-CB 3.42Å; K603-D607 VanDerWaalsContact O-CG 3.23Å; K603-D607 PolarHBondContact O-N 3.42Å; D607-N609 VanDerWaalsContact C-N 3.27Å; D607-N609 PolarHBondContact O-N 3.32Å |
| 608 | A | 98.2 | Very high | 97.6 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 57% | 0.57 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -1.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | R604 H605 Y606 T610 | R604-A608 VanDerWaalsContact O-CB 3.27Å; R604-A608 WeakPolarHBondContact O-CB 3.21Å; R604-A608 PolarHBondContact O-N 3.27Å; H605-A608 PolarHBondContact O-N 3.29Å; Y606-A608 PolarHBondContact O-N 3.43Å; A608-T610 PolarHBondContact O-N 3.24Å |
| 609 | N | 98.5 | Very high | 97.5 | Very high | 53 Ų | 53 | 42.9 Ų | 42.9 | 28% | 0.283 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.2 | 50.5 | -170.4 | -166.7 | 26 | 0 | 0 | 0 | 112.8 | H605 Y606 D607 G631 I632 H633 D634 | H605-N609 PolarHBondContact O-N 2.95Å; Y606-N609 PolarHBondContact O-N 2.81Å; D607-N609 VanDerWaalsContact C-N 3.27Å; D607-N609 PolarHBondContact O-N 3.32Å; N609-G631 WeakPolarHBondContact OD1-CA 3.36Å; N609-I632 PolarHBondContact OD1-N 3.33Å; N609-H633 HydrophobicContact CB-CB 3.73Å; N609-H633 WeakPolarHBondContact OD1-CA 3.48Å; N609-H633 WeakPolarHBondContact OD1-CB 3.1Å; N609-H633 PolarHBondContact OD1-N 2.85Å; N609-D634 PolarHBondContact ND2-OD1 2.68Å; N609-D634 PolarHBondContact ND2-OD2 3.2Å; N609-D634 PolarHBondContact OD1-N 2.87Å |
| 610 | T | 98.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | trans | -61.4 | 136.3 | -175.1 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | H605 A608 L612 Q614 V615 G631 I632 | H605-T610 PolarHBondContact ND1-OG1 3.08Å; H605-T610 PolarHBondContact O-N 3.35Å; H605-T610 PolarHBondContact O-OG1 3.33Å; A608-T610 PolarHBondContact O-N 3.24Å; T610-L612 PolarHBondContact O-N 3.36Å; T610-Q614 HydrophobicContact CG2-CB 4.24Å; T610-Q614 HydrophobicContact CG2-CG 4.27Å; T610-V615 HydrophobicContact CG2-CG1 3.61Å; T610-G631 WeakPolarHBondContact O-CA 3.47Å; T610-I632 PolarHBondContact O-N 3.1Å | ||
| 611 | P | 98.3 | Very high | 97.4 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -53.7 | 133.4 | -179 | -28.5 | 35.6 | 0 | 0 | 0 | 112.9 | A613 Q614 V615 | P611-A613 PolarHBondContact O-N 3Å; P611-Q614 WeakPolarHBondContact O-CB 3.47Å; P611-Q614 PolarHBondContact O-N 3.45Å; P611-V615 WeakPolarHBondContact O-CG2 3.22Å; P611-V615 PolarHBondContact O-N 3.43Å |
| 612 | L | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.5 | -34.9 | 179.3 | -74.5 | 176.2 | 0 | 0 | 0 | 112.2 | T610 Q614 V615 M616 V620 Y627 M630 I632 L635 | T610-L612 PolarHBondContact O-N 3.36Å; L612-Q614 PolarHBondContact O-N 3.32Å; L612-Q614 VanDerWaalsContact O-N 3.07Å; L612-V615 HydrophobicContact CD2-CG2 4.28Å; L612-V615 PolarHBondContact O-N 2.88Å; L612-M616 HydrophobicContact CD2-CB 4.4Å; L612-M616 HydrophobicContact CD2-CG 4.47Å; L612-M616 HydrophobicContact CD2-SD 4.05Å; L612-M616 CarbonylContact O-C 3.58Å; L612-M616 WeakPolarHBondContact O-CA 3.42Å; L612-M616 PolarHBondContact O-N 2.79Å; L612-V620 HydrophobicContact CB-CG2 3.64Å; L612-Y627 HydrophobicContact CD1-CD1 4.13Å; L612-Y627 HydrophobicContact CD1-CG 4.25Å; L612-M630 WeakPolarHBondContact CB-O 3.33Å; L612-M630 HydrophobicContact CD1-CB 3.83Å; L612-M630 HydrophobicContact CG-CB 4.48Å; L612-M630 WeakPolarHBondContact CG-O 3.33Å; L612-M630 PolarHBondContact N-O 2.77Å; L612-I632 HydrophobicContact CD2-CB 4.01Å; L612-I632 HydrophobicContact CD2-CG1 4.33Å; L612-L635 HydrophobicContact CD1-CB 4.18Å; L612-L635 HydrophobicContact CD1-CD2 3.89Å; L612-L635 HydrophobicContact CD2-CD2 4.07Å |
| 613 | A | 96.9 | Very high | 97.3 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.5 | -21.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P611 V620 | P611-A613 PolarHBondContact O-N 3Å; A613-V620 HydrophobicContact CB-CG1 4.44Å |
| 614 | Q | 96.8 | Very high | 97.3 | Very high | 130 Ų | 130 | 59.7 Ų | 59.7 | 61% | 0.607 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -91.7 | -41 | 175.7 | -177.1 | -178.7 | -15 | 0 | 0 | 112.1 | T610 P611 L612 | T610-Q614 HydrophobicContact CG2-CB 4.24Å; T610-Q614 HydrophobicContact CG2-CG 4.27Å; P611-Q614 WeakPolarHBondContact O-CB 3.47Å; P611-Q614 PolarHBondContact O-N 3.45Å; L612-Q614 PolarHBondContact O-N 3.32Å; L612-Q614 VanDerWaalsContact O-N 3.07Å |
| 615 | V | 96.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -94.5 | -29.8 | -171.6 | -74.2 | 0 | 0 | 0 | 0 | 114.4 | W563 R566 H605 T610 P611 L612 I632 | W563-V615 HydrophobicContact CH2-CG1 4.47Å; W563-V615 HydrophobicContact CZ3-CB 3.83Å; W563-V615 HydrophobicContact CZ3-CG1 3.96Å; R566-V615 WeakPolarHBondContact CD-O 3.43Å; R566-V615 PolarHBondContact NE-O 3.48Å; H605-V615 HydrophobicContact CB-CG1 4.28Å; T610-V615 HydrophobicContact CG2-CG1 3.61Å; P611-V615 WeakPolarHBondContact O-CG2 3.22Å; P611-V615 PolarHBondContact O-N 3.43Å; L612-V615 HydrophobicContact CD2-CG2 4.28Å; L612-V615 PolarHBondContact O-N 2.88Å; V615-I632 HydrophobicContact CG2-CB 4.12Å; V615-I632 HydrophobicContact CG2-CD1 4.33Å |
| 616 | M | 96.3 | Very high | 97 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 7% | 0.069 | 35% | 0.346 | C | S | . | . | trans | -139.2 | 59.9 | -179.1 | -61 | -179.1 | 73.8 | 0 | 0 | 110.2 | L559 A562 L612 E618 L619 V620 F735 | L559-M616 HydrophobicContact CD1-SD 4.08Å; A562-M616 HydrophobicContact CB-CE 3.69Å; L612-M616 HydrophobicContact CD2-CB 4.4Å; L612-M616 HydrophobicContact CD2-CG 4.47Å; L612-M616 HydrophobicContact CD2-SD 4.05Å; L612-M616 CarbonylContact O-C 3.58Å; L612-M616 WeakPolarHBondContact O-CA 3.42Å; L612-M616 PolarHBondContact O-N 2.79Å; M616-E618 VanDerWaalsContact C-N 3.3Å; M616-E618 PolarHBondContact O-N 2.63Å; M616-L619 HydrophobicContact CB-CB 4.18Å; M616-L619 HydrophobicContact CE-CD2 3.95Å; M616-L619 WeakPolarHBondContact O-CB 3.37Å; M616-L619 PolarHBondContact O-N 3.07Å; M616-L619 HydrophobicContact SD-CD2 4.39Å; M616-V620 PolarHBondContact O-N 3.08Å; M616-F735 HydrophobicContact CE-CZ 4.19Å | ||
| 617 | P | 96 | Very high | 96.9 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 27% | 0.266 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -34.4 | -174 | 23.1 | -32.4 | 0 | 0 | 0 | 113.7 | R566 L619 V620 E621 | R566-P617 VanDerWaalsContact NH2-CD 3.28Å; P617-L619 VanDerWaalsContact C-N 3.34Å; P617-L619 PolarHBondContact O-N 3.42Å; P617-V620 PolarHBondContact O-N 3.07Å; P617-E621 WeakPolarHBondContact O-CB 3.42Å; P617-E621 PolarHBondContact O-N 3.35Å |
| 618 | E | 95.3 | Very high | 96.8 | Very high | 102 Ų | 102 | 61 Ų | 61 | 48% | 0.477 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.2 | -36.7 | -179.2 | -56.9 | 77.6 | -171.2 | 0 | 0 | 111.5 | R566 M616 V620 E621 Q622 | R566-E618 IonicContact CZ-OE1 2.71Å; R566-E618 IonicContact CZ-OE2 3.9Å; R566-E618 IonicContact NH1-OE1 3.99Å; R566-E618 PolarHBondContact NH1-OE1 2.92Å; R566-E618 IonicContact NH1-OE2 3Å; R566-E618 PolarHBondContact NH1-OE2 3.28Å; R566-E618 IonicContact NH2-OE1 3.47Å; M616-E618 VanDerWaalsContact C-N 3.3Å; M616-E618 PolarHBondContact O-N 2.63Å; E618-V620 VanDerWaalsContact C-N 3.33Å; E618-V620 PolarHBondContact O-N 3.01Å; E618-E621 PolarHBondContact O-N 3.45Å; E618-Q622 WeakPolarHBondContact O-CB 3.28Å; E618-Q622 PolarHBondContact O-N 2.9Å |
| 619 | L | 96 | Very high | 96.7 | Very high | 18 Ų | 18 | 65.6 Ų | 65.6 | 9% | 0.094 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 174.3 | -179.6 | 69.5 | 0 | 0 | 0 | 110.8 | M616 P617 Y623 Y627 L635 F735 | M616-L619 HydrophobicContact CB-CB 4.18Å; M616-L619 HydrophobicContact CE-CD2 3.95Å; M616-L619 WeakPolarHBondContact O-CB 3.37Å; M616-L619 PolarHBondContact O-N 3.07Å; M616-L619 HydrophobicContact SD-CD2 4.39Å; P617-L619 VanDerWaalsContact C-N 3.34Å; P617-L619 PolarHBondContact O-N 3.42Å; L619-Y623 HydrophobicContact CD1-CD2 4.14Å; L619-Y623 PolarHBondContact O-N 3.41Å; L619-Y627 HydrophobicContact CD1-CD2 3.96Å; L619-Y627 HydrophobicContact CD1-CE2 3.6Å; L619-Y627 HydrophobicContact CD2-CD2 4.02Å; L619-Y627 HydrophobicContact CD2-CE2 4.11Å; L619-Y627 HydrophobicContact CD2-CG 4.32Å; L619-Y627 HydrophobicContact CG-CD2 3.59Å; L619-Y627 HydrophobicContact CG-CE2 3.75Å; L619-Y627 HydrophobicContact CG-CG 4.31Å; L619-L635 HydrophobicContact CD2-CD2 4.19Å; L619-F735 HydrophobicContact CD1-CE2 3.96Å; L619-F735 HydrophobicContact CD2-CE2 3.7Å; L619-F735 HydrophobicContact CD2-CZ 3.84Å; L619-F735 HydrophobicContact CG-CE2 4.5Å |
| 620 | V | 97.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71 | -37.4 | 177.9 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | L612 A613 M616 P617 E618 Q622 Y623 P624 A628 | L612-V620 HydrophobicContact CB-CG2 3.64Å; A613-V620 HydrophobicContact CB-CG1 4.44Å; M616-V620 PolarHBondContact O-N 3.08Å; P617-V620 PolarHBondContact O-N 3.07Å; E618-V620 VanDerWaalsContact C-N 3.33Å; E618-V620 PolarHBondContact O-N 3.01Å; V620-Q622 VanDerWaalsContact C-N 3.32Å; V620-Y623 CarbonylContact O-C 3.57Å; V620-P624 WeakPolarHBondContact O-CA 3.49Å; V620-P624 WeakPolarHBondContact O-CB 3.41Å; V620-P624 WeakPolarHBondContact O-CD 3.37Å; V620-A628 HydrophobicContact CG1-CB 4.11Å |
| 621 | E | 96.9 | Very high | 96.7 | Very high | 161 Ų | 161 | 64.4 Ų | 64.4 | 75% | 0.752 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.4 | -39.9 | 176.1 | -176.5 | 175.5 | -172.5 | 0 | 0 | 111.5 | P617 E618 | P617-E621 WeakPolarHBondContact O-CB 3.42Å; P617-E621 PolarHBondContact O-N 3.35Å; E618-E621 PolarHBondContact O-N 3.45Å |
| 622 | Q | 96.7 | Very high | 96.7 | Very high | 126 Ų | 126 | 60.9 Ų | 60.9 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -76.3 | -36.5 | -179.4 | -167.8 | 173.2 | -12.3 | 0 | 0 | 112.9 | E618 V620 | E618-Q622 WeakPolarHBondContact O-CB 3.28Å; E618-Q622 PolarHBondContact O-N 2.9Å; V620-Q622 VanDerWaalsContact C-N 3.32Å |
| 623 | Y | 96.9 | Very high | 96.7 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | trans | -132.3 | 63.9 | -177.5 | -49.7 | -77.3 | 0 | 0 | 0 | 112.2 | L619 V620 D625 T626 Y627 P733 | L619-Y623 HydrophobicContact CD1-CD2 4.14Å; L619-Y623 PolarHBondContact O-N 3.41Å; V620-Y623 CarbonylContact O-C 3.57Å; Y623-D625 VanDerWaalsContact C-N 3.32Å; Y623-D625 PolarHBondContact O-N 3.36Å; Y623-T626 PolarHBondContact O-N 3.37Å; Y623-Y627 HydrophobicContact CD2-CE2 4.11Å; Y623-Y627 HydrophobicContact CG-CE2 4.3Å; Y623-Y627 PolarHBondContact O-N 2.81Å; Y623-Y627 VanDerWaalsContact O-N 3.09Å; Y623-P733 HydrophobicContact CD1-CB 3.6Å; Y623-P733 HydrophobicContact CD1-CG 4.05Å; Y623-P733 HydrophobicContact CD2-CB 4.09Å; Y623-P733 HydrophobicContact CE1-CB 3.48Å; Y623-P733 VanDerWaalsContact CE1-CB 3.48Å; Y623-P733 HydrophobicContact CE1-CG 4.43Å; Y623-P733 HydrophobicContact CE2-CB 4.01Å; Y623-P733 HydrophobicContact CG-CB 3.88Å; Y623-P733 HydrophobicContact CG-CG 4.08Å | ||
| 624 | P | 96.7 | Very high | 96.7 | Very high | 61 Ų | 61 | 63.8 Ų | 63.8 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -36.6 | -172.9 | 24.9 | -34.3 | 0 | 0 | 0 | 112.5 | V620 T626 A628 | V620-P624 WeakPolarHBondContact O-CA 3.49Å; V620-P624 WeakPolarHBondContact O-CB 3.41Å; V620-P624 WeakPolarHBondContact O-CD 3.37Å; P624-T626 PolarHBondContact O-N 2.99Å; P624-A628 WeakPolarHBondContact O-CB 3.35Å; P624-A628 PolarHBondContact O-N 2.85Å; P624-A628 VanDerWaalsContact O-N 3.08Å |
| 625 | D | 95.5 | Very high | 96.8 | Very high | 167 Ų | 167 | 57.7 Ų | 57.7 | 89% | 0.893 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.5 | -26.8 | -179.9 | -64.9 | -28.5 | 0 | 0 | 0 | 112.3 | Y623 | Y623-D625 VanDerWaalsContact C-N 3.32Å; Y623-D625 PolarHBondContact O-N 3.36Å |
| 626 | T | 95.2 | Very high | 96.9 | Very high | 65 Ų | 65 | 57.3 Ų | 57.3 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -89.7 | -46.9 | 179.8 | -47.5 | 0 | 0 | 0 | 0 | 111.7 | Y623 P624 P733 | Y623-T626 PolarHBondContact O-N 3.37Å; P624-T626 PolarHBondContact O-N 2.99Å; T626-P733 HydrophobicContact CG2-CG 4.35Å |
| 627 | Y | 97.7 | Very high | 97 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -113.8 | -8.3 | -162.9 | -58.3 | -54.7 | 0 | 0 | 0 | 116.1 | L612 L619 Y623 N629 M630 L635 P733 | L612-Y627 HydrophobicContact CD1-CD1 4.13Å; L612-Y627 HydrophobicContact CD1-CG 4.25Å; L619-Y627 HydrophobicContact CD1-CD2 3.96Å; L619-Y627 HydrophobicContact CD1-CE2 3.6Å; L619-Y627 HydrophobicContact CD2-CD2 4.02Å; L619-Y627 HydrophobicContact CD2-CE2 4.11Å; L619-Y627 HydrophobicContact CD2-CG 4.32Å; L619-Y627 HydrophobicContact CG-CD2 3.59Å; L619-Y627 HydrophobicContact CG-CE2 3.75Å; L619-Y627 HydrophobicContact CG-CG 4.31Å; Y623-Y627 HydrophobicContact CD2-CE2 4.11Å; Y623-Y627 HydrophobicContact CG-CE2 4.3Å; Y623-Y627 PolarHBondContact O-N 2.81Å; Y623-Y627 VanDerWaalsContact O-N 3.09Å; Y627-N629 VanDerWaalsContact C-N 3.27Å; Y627-N629 PolarHBondContact O-N 3.22Å; Y627-N629 VanDerWaalsContact O-N 3.13Å; Y627-M630 HydrophobicContact CD1-SD 4.08Å; Y627-M630 PolarHBondContact O-N 2.94Å; Y627-L635 HydrophobicContact CD1-CD1 4.08Å; Y627-L635 HydrophobicContact CE1-CD1 3.62Å; Y627-L635 HydrophobicContact CE1-CD2 4.42Å; Y627-P733 HydrophobicContact CE2-CG 4.17Å; Y627-P733 VanDerWaalsContact CE2-O 3.24Å; Y627-P733 WeakPolarHBondContact CE2-O 3.13Å; Y627-P733 WeakPolarHBondContact OH-CD 3.39Å; Y627-P733 PolarHBondContact OH-O 2.91Å |
| 628 | A | 95.7 | Very high | 97.1 | Very high | 45 Ų | 45 | 61.1 Ų | 61.1 | 37% | 0.372 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -29.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V620 P624 | V620-A628 HydrophobicContact CG1-CB 4.11Å; P624-A628 WeakPolarHBondContact O-CB 3.35Å; P624-A628 PolarHBondContact O-N 2.85Å; P624-A628 VanDerWaalsContact O-N 3.08Å |
| 629 | N | 95.5 | Very high | 97.2 | Very high | 164 Ų | 164 | 56.2 Ų | 56.2 | 88% | 0.877 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 15.3 | -175.7 | -60.8 | -54.7 | 0 | 0 | 0 | 113.6 | Y627 | Y627-N629 VanDerWaalsContact C-N 3.27Å; Y627-N629 PolarHBondContact O-N 3.22Å; Y627-N629 VanDerWaalsContact O-N 3.13Å |
| 630 | M | 97.5 | Very high | 97.3 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 19% | 0.187 | 30% | 0.298 | C | S | . | . | trans | -104.4 | 144.8 | -179.7 | -63.6 | 177.4 | 74.8 | 0 | 0 | 110.9 | L612 Y627 D634 L635 T638 | L612-M630 WeakPolarHBondContact CB-O 3.33Å; L612-M630 HydrophobicContact CD1-CB 3.83Å; L612-M630 HydrophobicContact CG-CB 4.48Å; L612-M630 WeakPolarHBondContact CG-O 3.33Å; L612-M630 PolarHBondContact N-O 2.77Å; Y627-M630 HydrophobicContact CD1-SD 4.08Å; Y627-M630 PolarHBondContact O-N 2.94Å; M630-D634 HydrophobicContact CB-CB 4.28Å; M630-D634 HydrophobicContact CE-CB 4.13Å; M630-L635 VanDerWaalsContact CE-CA 3.5Å; M630-L635 HydrophobicContact CE-CB 4.03Å; M630-L635 HydrophobicContact CE-CD1 4.16Å; M630-T638 WeakPolarHBondContact CE-OG1 3.4Å | ||
| 631 | G | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -86.7 | 167.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N609 T610 H633 D634 L635 | N609-G631 WeakPolarHBondContact OD1-CA 3.36Å; T610-G631 WeakPolarHBondContact O-CA 3.47Å; G631-H633 VanDerWaalsContact C-N 3.26Å; G631-H633 PolarHBondContact O-N 3.21Å; G631-D634 PolarHBondContact N-OD2 2.74Å; G631-D634 WeakPolarHBondContact O-CB 3Å; G631-D634 PolarHBondContact O-N 2.68Å; G631-L635 PolarHBondContact O-N 3.46Å; G631-L635 VanDerWaalsContact O-N 3.12Å |
| 632 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -29.6 | -178.7 | -170.9 | 171 | 0 | 0 | 0 | 113 | L559 W563 F602 H605 Y606 N609 T610 L612 V615 G636 | L559-I632 HydrophobicContact CD1-CG1 4.28Å; L559-I632 HydrophobicContact CD2-CG1 4.06Å; L559-I632 HydrophobicContact CG-CG1 4.41Å; W563-I632 HydrophobicContact CE3-CD1 4.21Å; F602-I632 HydrophobicContact CD2-CD1 4.19Å; F602-I632 HydrophobicContact CE2-CD1 3.8Å; H605-I632 VanDerWaalsContact O-CG2 3.3Å; H605-I632 WeakPolarHBondContact O-CG2 3.47Å; Y606-I632 HydrophobicContact CD2-CG1 4.35Å; N609-I632 PolarHBondContact OD1-N 3.33Å; T610-I632 PolarHBondContact O-N 3.1Å; L612-I632 HydrophobicContact CD2-CB 4.01Å; L612-I632 HydrophobicContact CD2-CG1 4.33Å; V615-I632 HydrophobicContact CG2-CB 4.12Å; V615-I632 HydrophobicContact CG2-CD1 4.33Å; I632-G636 PolarHBondContact O-N 3.29Å; I632-G636 VanDerWaalsContact O-N 3.09Å |
| 633 | H | 98.3 | Very high | 97.3 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 26% | 0.259 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.2 | -43.2 | 173.9 | -166.1 | -76.3 | 0 | 0 | 0 | 110.6 | Y606 N609 G631 L635 G636 D637 | Y606-H633 AromaticContact CD1-CD2 3.52Å; Y606-H633 AromaticContact CE1-CD2 3.19Å; Y606-H633 WeakPolarHBondContact CE1-CD2 3.4Å; Y606-H633 AromaticContact CE1-CG 4Å; Y606-H633 AromaticContact CE1-NE2 3.57Å; Y606-H633 AromaticContact CZ-CD2 3.69Å; Y606-H633 WeakPolarHBondContact O-CB 3.43Å; N609-H633 HydrophobicContact CB-CB 3.73Å; N609-H633 WeakPolarHBondContact OD1-CA 3.48Å; N609-H633 WeakPolarHBondContact OD1-CB 3.1Å; N609-H633 PolarHBondContact OD1-N 2.85Å; G631-H633 VanDerWaalsContact C-N 3.26Å; G631-H633 PolarHBondContact O-N 3.21Å; H633-L635 PolarHBondContact O-N 3.4Å; H633-G636 CarbonylContact O-C 3.59Å; H633-G636 WeakPolarHBondContact O-CA 2.89Å; H633-G636 PolarHBondContact O-N 3.39Å; H633-D637 IonicContact CE1-OD1 2.78Å; H633-D637 PolarHBondContact CE1-OD1 3.15Å; H633-D637 VanDerWaalsContact CE1-OD1 3.3Å; H633-D637 IonicContact CE1-OD2 3.78Å; H633-D637 PolarHBondContact CE1-OD2 3.23Å; H633-D637 IonicContact ND1-OD1 2.91Å; H633-D637 IonicContact ND1-OD2 2.92Å; H633-D637 PolarHBondContact ND1-OD2 2.81Å; H633-D637 PolarHBondContact O-N 3.34Å |
| 634 | D | 98.4 | Very high | 97.3 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.2 | -38.3 | 177.5 | -55.7 | -41.7 | 0 | 0 | 0 | 111.2 | N609 M630 G631 T638 | N609-D634 PolarHBondContact ND2-OD1 2.68Å; N609-D634 PolarHBondContact ND2-OD2 3.2Å; N609-D634 PolarHBondContact OD1-N 2.87Å; M630-D634 HydrophobicContact CB-CB 4.28Å; M630-D634 HydrophobicContact CE-CB 4.13Å; G631-D634 PolarHBondContact N-OD2 2.74Å; G631-D634 WeakPolarHBondContact O-CB 3Å; G631-D634 PolarHBondContact O-N 2.68Å; D634-T638 WeakPolarHBondContact O-CB 3.38Å; D634-T638 PolarHBondContact O-N 2.81Å; D634-T638 PolarHBondContact O-OG1 2.89Å |
| 635 | L | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 173.9 | -178.5 | 57.7 | 0 | 0 | 0 | 111.8 | L559 L612 L619 Y627 M630 G631 H633 D637 T638 M639 F735 | L559-L635 HydrophobicContact CD1-CD2 3.81Å; L559-L635 HydrophobicContact CD1-CG 4.37Å; L612-L635 HydrophobicContact CD1-CB 4.18Å; L612-L635 HydrophobicContact CD1-CD2 3.89Å; L612-L635 HydrophobicContact CD2-CD2 4.07Å; L619-L635 HydrophobicContact CD2-CD2 4.19Å; Y627-L635 HydrophobicContact CD1-CD1 4.08Å; Y627-L635 HydrophobicContact CE1-CD1 3.62Å; Y627-L635 HydrophobicContact CE1-CD2 4.42Å; M630-L635 VanDerWaalsContact CE-CA 3.5Å; M630-L635 HydrophobicContact CE-CB 4.03Å; M630-L635 HydrophobicContact CE-CD1 4.16Å; G631-L635 PolarHBondContact O-N 3.46Å; G631-L635 VanDerWaalsContact O-N 3.12Å; H633-L635 PolarHBondContact O-N 3.4Å; L635-D637 VanDerWaalsContact C-N 3.35Å; L635-D637 PolarHBondContact O-N 3Å; L635-T638 PolarHBondContact O-N 3.46Å; L635-M639 HydrophobicContact CD1-CE 3.95Å; L635-M639 HydrophobicContact CD1-CG 4.34Å; L635-M639 HydrophobicContact CD1-SD 4.47Å; L635-M639 HydrophobicContact CD2-CE 4.28Å; L635-M639 HydrophobicContact CG-CE 4.06Å; L635-M639 HydrophobicContact CG-SD 4.27Å; L635-M639 WeakPolarHBondContact O-CB 3.07Å; L635-M639 WeakPolarHBondContact O-CG 3.34Å; L635-M639 PolarHBondContact O-N 3.42Å; L635-F735 HydrophobicContact CD2-CE2 4.11Å; L635-F735 HydrophobicContact CD2-CZ 3.97Å |
| 636 | G | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.7 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I632 H633 M639 F640 | I632-G636 PolarHBondContact O-N 3.29Å; I632-G636 VanDerWaalsContact O-N 3.09Å; H633-G636 CarbonylContact O-C 3.59Å; H633-G636 WeakPolarHBondContact O-CA 2.89Å; H633-G636 PolarHBondContact O-N 3.39Å; G636-M639 PolarHBondContact O-N 3.15Å; G636-F640 VanDerWaalsContact O-CB 3.27Å; G636-F640 WeakPolarHBondContact O-CB 3.36Å; G636-F640 PolarHBondContact O-N 3.21Å |
| 637 | D | 97.9 | Very high | 97 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 35% | 0.353 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 177 | -74.6 | -26.2 | 0 | 0 | 0 | 111.5 | H633 L635 F640 A641 | H633-D637 IonicContact CE1-OD1 2.78Å; H633-D637 PolarHBondContact CE1-OD1 3.15Å; H633-D637 VanDerWaalsContact CE1-OD1 3.3Å; H633-D637 IonicContact CE1-OD2 3.78Å; H633-D637 PolarHBondContact CE1-OD2 3.23Å; H633-D637 IonicContact ND1-OD1 2.91Å; H633-D637 IonicContact ND1-OD2 2.92Å; H633-D637 PolarHBondContact ND1-OD2 2.81Å; H633-D637 PolarHBondContact O-N 3.34Å; L635-D637 VanDerWaalsContact C-N 3.35Å; L635-D637 PolarHBondContact O-N 3Å; D637-F640 PolarHBondContact O-N 3.47Å; D637-A641 VanDerWaalsContact O-CB 3.28Å; D637-A641 WeakPolarHBondContact O-CB 3.42Å; D637-A641 PolarHBondContact O-N 3.41Å |
| 638 | T | 97.7 | Very high | 96.7 | Very high | 69 Ų | 69 | 43.8 Ų | 43.8 | 42% | 0.423 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | M630 D634 L635 W642 F732 | M630-T638 WeakPolarHBondContact CE-OG1 3.4Å; D634-T638 WeakPolarHBondContact O-CB 3.38Å; D634-T638 PolarHBondContact O-N 2.81Å; D634-T638 PolarHBondContact O-OG1 2.89Å; L635-T638 PolarHBondContact O-N 3.46Å; T638-W642 PolarHBondContact O-N 2.89Å; T638-W642 VanDerWaalsContact O-N 3.16Å; T638-F732 HydrophobicContact CG2-CE1 4.03Å |
| 639 | M | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 175.2 | -78.1 | 177.6 | 173.5 | 0 | 0 | 111.9 | P556 L559 L635 G636 W642 L643 W728 F732 F735 | P556-M639 HydrophobicContact CB-CB 4.1Å; P556-M639 HydrophobicContact CB-SD 4.34Å; P556-M639 HydrophobicContact CG-CB 3.59Å; L559-M639 HydrophobicContact CB-SD 4.05Å; L635-M639 HydrophobicContact CD1-CE 3.95Å; L635-M639 HydrophobicContact CD1-CG 4.34Å; L635-M639 HydrophobicContact CD1-SD 4.47Å; L635-M639 HydrophobicContact CD2-CE 4.28Å; L635-M639 HydrophobicContact CG-CE 4.06Å; L635-M639 HydrophobicContact CG-SD 4.27Å; L635-M639 WeakPolarHBondContact O-CB 3.07Å; L635-M639 WeakPolarHBondContact O-CG 3.34Å; L635-M639 PolarHBondContact O-N 3.42Å; G636-M639 PolarHBondContact O-N 3.15Å; M639-W642 WeakPolarHBondContact O-CB 3.32Å; M639-W642 PolarHBondContact O-N 2.89Å; M639-L643 WeakPolarHBondContact O-CG 3.49Å; M639-L643 PolarHBondContact O-N 3.01Å; M639-W728 HydrophobicContact CB-CH2 4.27Å; M639-W728 HydrophobicContact CG-CH2 4.13Å; M639-W728 HydrophobicContact SD-CH2 4.38Å; M639-F732 HydrophobicContact CB-CE1 4.26Å; M639-F732 HydrophobicContact CB-CZ 4.25Å; M639-F732 HydrophobicContact CE-CB 4.33Å; M639-F732 HydrophobicContact CE-CD1 4.01Å; M639-F732 HydrophobicContact CE-CG 4.25Å; M639-F732 HydrophobicContact CG-CD1 3.7Å; M639-F732 HydrophobicContact CG-CE1 3.48Å; M639-F732 VanDerWaalsContact CG-CE1 3.48Å; M639-F732 HydrophobicContact CG-CE2 4.37Å; M639-F732 HydrophobicContact CG-CG 4.25Å; M639-F732 HydrophobicContact CG-CZ 3.86Å; M639-F735 HydrophobicContact CE-CB 4.32Å; M639-F735 HydrophobicContact CE-CD1 3.65Å; M639-F735 HydrophobicContact CE-CD2 3.43Å; M639-F735 VanDerWaalsContact CE-CD2 3.43Å; M639-F735 HydrophobicContact CE-CE1 3.68Å; M639-F735 HydrophobicContact CE-CE2 3.46Å; M639-F735 VanDerWaalsContact CE-CE2 3.46Å; M639-F735 HydrophobicContact CE-CG 3.52Å; M639-F735 HydrophobicContact CE-CZ 3.59Å |
| 640 | F | 97.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.1 | -38 | -180 | -173.2 | -110.2 | 0 | 0 | 0 | 112.3 | E551 T553 G554 P556 F577 G636 D637 W642 L643 K644 | E551-F640 WeakPolarHBondContact O-CZ 3.4Å; T553-F640 VanDerWaalsContact C-CZ 3.44Å; T553-F640 VanDerWaalsContact CA-CE1 3.43Å; G554-F640 VanDerWaalsContact N-CE1 3.33Å; P556-F640 HydrophobicContact CG-CB 4.09Å; F577-F640 AromaticContact CE1-CD2 3.96Å; F577-F640 HydrophobicContact CE1-CD2 3.96Å; F577-F640 AromaticContact CE1-CE2 3.82Å; F577-F640 HydrophobicContact CE1-CE2 3.82Å; F577-F640 AromaticContact CZ-CD2 3.92Å; F577-F640 HydrophobicContact CZ-CD2 3.92Å; F577-F640 AromaticContact CZ-CE2 3.64Å; F577-F640 HydrophobicContact CZ-CE2 3.64Å; G636-F640 VanDerWaalsContact O-CB 3.27Å; G636-F640 WeakPolarHBondContact O-CB 3.36Å; G636-F640 PolarHBondContact O-N 3.21Å; D637-F640 PolarHBondContact O-N 3.47Å; F640-W642 VanDerWaalsContact C-N 3.31Å; F640-W642 PolarHBondContact O-N 2.92Å; F640-L643 HydrophobicContact CD2-CD1 4.41Å; F640-L643 WeakPolarHBondContact O-CB 3.27Å; F640-L643 PolarHBondContact O-N 3.47Å; F640-K644 HydrophobicContact CD1-CD 3.97Å; F640-K644 HydrophobicContact CD1-CG 4.43Å; F640-K644 HydrophobicContact CE1-CD 3.49Å; F640-K644 VanDerWaalsContact CE1-CD 3.49Å; F640-K644 HydrophobicContact CE1-CG 4.08Å; F640-K644 HydrophobicContact CZ-CD 3.98Å; F640-K644 HydrophobicContact CZ-CG 4.19Å; F640-K644 WeakPolarHBondContact O-CG 3.5Å; F640-K644 PolarHBondContact O-N 2.98Å |
| 641 | A | 97.7 | Very high | 96.1 | Very high | 55 Ų | 55 | 36.9 Ų | 36.9 | 46% | 0.455 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.5 | -42.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D637 K644 E645 | D637-A641 VanDerWaalsContact O-CB 3.28Å; D637-A641 WeakPolarHBondContact O-CB 3.42Å; D637-A641 PolarHBondContact O-N 3.41Å; A641-K644 PolarHBondContact O-N 2.95Å; A641-E645 PolarHBondContact O-N 2.76Å |
| 642 | W | 97.7 | Very high | 95.8 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 5% | 0.049 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 174.4 | -173.7 | 103.2 | 0 | 0 | 0 | 112.1 | T638 M639 F640 K644 E645 N646 P648 S724 W728 H731 F732 | T638-W642 PolarHBondContact O-N 2.89Å; T638-W642 VanDerWaalsContact O-N 3.16Å; M639-W642 WeakPolarHBondContact O-CB 3.32Å; M639-W642 PolarHBondContact O-N 2.89Å; F640-W642 VanDerWaalsContact C-N 3.31Å; F640-W642 PolarHBondContact O-N 2.92Å; W642-K644 VanDerWaalsContact C-N 3.29Å; W642-K644 PolarHBondContact O-N 3.43Å; W642-E645 PolarHBondContact O-N 2.9Å; W642-N646 HydrophobicContact CD2-CB 4.09Å; W642-N646 VanDerWaalsContact CE2-ND2 3.32Å; W642-N646 HydrophobicContact CE3-CB 3.98Å; W642-N646 HydrophobicContact CH2-CB 3.78Å; W642-N646 HydrophobicContact CZ2-CB 3.88Å; W642-N646 HydrophobicContact CZ3-CB 3.82Å; W642-N646 PolarHBondContact NE1-ND2 3.31Å; W642-N646 WeakPolarHBondContact O-CB 3.47Å; W642-N646 PolarHBondContact O-N 3.3Å; W642-N646 PolarHBondContact O-ND2 3.35Å; W642-N646 VanDerWaalsContact O-ND2 3.09Å; W642-P648 HydrophobicContact CZ3-CB 4.23Å; W642-P648 HydrophobicContact CZ3-CG 3.79Å; W642-S724 WeakPolarHBondContact CH2-O 3.31Å; W642-W728 HydrophobicContact CD2-CE3 4.01Å; W642-W728 HydrophobicContact CD2-CZ3 4.49Å; W642-W728 AromaticContact CE3-CE3 3.41Å; W642-W728 HydrophobicContact CE3-CE3 3.41Å; W642-W728 VanDerWaalsContact CE3-CE3 3.41Å; W642-W728 AromaticContact CE3-CZ3 3.78Å; W642-W728 HydrophobicContact CE3-CZ3 3.78Å; W642-W728 HydrophobicContact CH2-CB 3.77Å; W642-W728 HydrophobicContact CH2-CE3 4Å; W642-W728 HydrophobicContact CZ2-CB 3.91Å; W642-W728 HydrophobicContact CZ3-CB 4.38Å; W642-W728 HydrophobicContact CZ3-CD2 4.43Å; W642-W728 AromaticContact CZ3-CE3 3.43Å; W642-W728 HydrophobicContact CZ3-CE3 3.43Å; W642-W728 VanDerWaalsContact CZ3-CE3 3.43Å; W642-W728 HydrophobicContact CZ3-CZ3 4.1Å; W642-H731 AromaticContact CD1-CD2 3.98Å; W642-H731 AromaticContact CD1-CG 3.83Å; W642-H731 AromaticContact NE1-CE1 3.84Å; W642-H731 AromaticContact NE1-CG 3.62Å; W642-H731 AromaticContact NE1-ND1 3.45Å; W642-H731 PolarHBondContact NE1-ND1 3.01Å; W642-F732 HydrophobicContact CB-CE2 3.79Å; W642-F732 HydrophobicContact CB-CZ 3.67Å; W642-F732 AromaticContact CD1-CE2 3.96Å; W642-F732 AromaticContact CD2-CE2 4Å; W642-F732 HydrophobicContact CD2-CE2 4Å; W642-F732 AromaticContact CG-CE2 3.64Å; W642-F732 HydrophobicContact CG-CE2 3.64Å; W642-F732 AromaticContact CG-CZ 3.98Å; W642-F732 HydrophobicContact CG-CZ 3.98Å |
| 643 | L | 96.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -40.7 | 175.4 | -70 | 174.6 | 0 | 0 | 0 | 111.2 | L550 P556 D576 F577 M639 F640 N647 P648 W728 | L550-L643 WeakPolarHBondContact CD1-O 3.22Å; P556-L643 HydrophobicContact CB-CD1 4.16Å; P556-L643 HydrophobicContact CG-CD1 4.17Å; D576-L643 HydrophobicContact CB-CD2 4.45Å; F577-L643 HydrophobicContact CE1-CD1 4.35Å; F577-L643 HydrophobicContact CE2-CD1 4.44Å; F577-L643 HydrophobicContact CZ-CD1 3.82Å; M639-L643 WeakPolarHBondContact O-CG 3.49Å; M639-L643 PolarHBondContact O-N 3.01Å; F640-L643 HydrophobicContact CD2-CD1 4.41Å; F640-L643 WeakPolarHBondContact O-CB 3.27Å; F640-L643 PolarHBondContact O-N 3.47Å; L643-N647 WeakPolarHBondContact O-CA 3.29Å; L643-N647 PolarHBondContact O-N 2.79Å; L643-P648 HydrophobicContact CD2-CG 3.53Å; L643-W728 HydrophobicContact CD2-CE3 4.46Å; L643-W728 HydrophobicContact CD2-CZ3 3.77Å; L643-W728 HydrophobicContact CG-CZ3 4.11Å |
| 644 | K | 95.5 | Very high | 95.3 | Very high | 95 Ų | 95 | 41.6 Ų | 41.6 | 41% | 0.413 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.9 | -71.9 | -177.9 | 69.5 | 146.9 | 0 | 113.3 | L550 E551 E552 F640 A641 W642 | L550-K644 HydrophobicContact CB-CG 4.09Å; L550-K644 HydrophobicContact CD1-CB 4.39Å; L550-K644 HydrophobicContact CD1-CG 3.98Å; E551-K644 PolarHBondContact O-NZ 2.89Å; E552-K644 PolarHBondContact O-NZ 3.35Å; F640-K644 HydrophobicContact CD1-CD 3.97Å; F640-K644 HydrophobicContact CD1-CG 4.43Å; F640-K644 HydrophobicContact CE1-CD 3.49Å; F640-K644 VanDerWaalsContact CE1-CD 3.49Å; F640-K644 HydrophobicContact CE1-CG 4.08Å; F640-K644 HydrophobicContact CZ-CD 3.98Å; F640-K644 HydrophobicContact CZ-CG 4.19Å; F640-K644 WeakPolarHBondContact O-CG 3.5Å; F640-K644 PolarHBondContact O-N 2.98Å; A641-K644 PolarHBondContact O-N 2.95Å; W642-K644 VanDerWaalsContact C-N 3.29Å; W642-K644 PolarHBondContact O-N 3.43Å |
| 645 | E | 95.3 | Very high | 95.1 | Very high | 159 Ų | 159 | 38.7 Ų | 38.7 | 74% | 0.743 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -72.7 | -39.4 | 180 | -176.1 | 175.7 | -170.1 | 0 | 0 | 112.3 | A641 W642 | A641-E645 PolarHBondContact O-N 2.76Å; W642-E645 PolarHBondContact O-N 2.9Å |
| 646 | N | 94.3 | Very high | 94.9 | Very high | 27 Ų | 27 | 39.6 Ų | 39.6 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -103.3 | -22.9 | -169.6 | -69 | -85.2 | 0 | 0 | 0 | 114.4 | W642 R651 | W642-N646 HydrophobicContact CD2-CB 4.09Å; W642-N646 VanDerWaalsContact CE2-ND2 3.32Å; W642-N646 HydrophobicContact CE3-CB 3.98Å; W642-N646 HydrophobicContact CH2-CB 3.78Å; W642-N646 HydrophobicContact CZ2-CB 3.88Å; W642-N646 HydrophobicContact CZ3-CB 3.82Å; W642-N646 PolarHBondContact NE1-ND2 3.31Å; W642-N646 WeakPolarHBondContact O-CB 3.47Å; W642-N646 PolarHBondContact O-N 3.3Å; W642-N646 PolarHBondContact O-ND2 3.35Å; W642-N646 VanDerWaalsContact O-ND2 3.09Å; N646-R651 PolarHBondContact O-NE 3.01Å; N646-R651 VanDerWaalsContact O-NE 3.12Å; N646-R651 PolarHBondContact O-NH2 3.46Å |
| 647 | N | 92.2 | Very high | 94.5 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | trans | 40.8 | 60.8 | -178.9 | -161.1 | -10.4 | 0 | 0 | 0 | 113.7 | L643 G649 A650 R651 | L643-N647 WeakPolarHBondContact O-CA 3.29Å; L643-N647 PolarHBondContact O-N 2.79Å; N647-G649 VanDerWaalsContact C-N 3.27Å; N647-G649 PolarHBondContact O-N 3.12Å; N647-A650 HydrophobicContact CB-CB 4.34Å; N647-A650 PolarHBondContact O-N 3.47Å; N647-A650 WeakPolarHBondContact OD1-CB 3.43Å; N647-A650 PolarHBondContact OD1-N 3.3Å; N647-R651 PolarHBondContact O-N 3.13Å | ||
| 648 | P | 92.4 | Very high | 93.9 | Very high | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.065 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -35.1 | -177.8 | 29.8 | -39.7 | 0 | 0 | 0 | 112.5 | W642 L643 A650 R651 L652 | W642-P648 HydrophobicContact CZ3-CB 4.23Å; W642-P648 HydrophobicContact CZ3-CG 3.79Å; L643-P648 HydrophobicContact CD2-CG 3.53Å; P648-A650 PolarHBondContact O-N 3.01Å; P648-R651 CarbonylContact O-C 3.6Å; P648-R651 WeakPolarHBondContact O-CB 3.2Å; P648-R651 PolarHBondContact O-N 2.61Å; P648-R651 VanDerWaalsContact O-N 3.14Å; P648-L652 WeakPolarHBondContact O-CB 3.29Å; P648-L652 PolarHBondContact O-N 2.64Å |
| 649 | G | 90.5 | Very high | 93.6 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D576 N647 L652 N653 | D576-G649 VanDerWaalsContact OD2-CA 3.22Å; D576-G649 WeakPolarHBondContact OD2-CA 3.37Å; D576-G649 PolarHBondContact OD2-N 3.02Å; N647-G649 VanDerWaalsContact C-N 3.27Å; N647-G649 PolarHBondContact O-N 3.12Å; G649-L652 PolarHBondContact O-N 2.89Å; G649-N653 PolarHBondContact O-N 3.45Å |
| 650 | A | 91.3 | Very high | 93.4 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 28% | 0.281 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N647 P648 L652 N653 E654 | N647-A650 HydrophobicContact CB-CB 4.34Å; N647-A650 PolarHBondContact O-N 3.47Å; N647-A650 WeakPolarHBondContact OD1-CB 3.43Å; N647-A650 PolarHBondContact OD1-N 3.3Å; P648-A650 PolarHBondContact O-N 3.01Å; A650-L652 VanDerWaalsContact C-N 3.35Å; A650-L652 PolarHBondContact O-N 2.82Å; A650-N653 PolarHBondContact O-N 2.98Å; A650-E654 WeakPolarHBondContact O-CG 3.37Å; A650-E654 PolarHBondContact O-N 3.03Å |
| 651 | R | 93.2 | Very high | 93.2 | Very high | 62 Ų | 62 | 46 Ų | 46 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 177.2 | -63.3 | 177.7 | -177.4 | 169.8 | 0.8 | 112.3 | N646 N647 P648 E654 A655 Y721 S724 | N646-R651 PolarHBondContact O-NE 3.01Å; N646-R651 VanDerWaalsContact O-NE 3.12Å; N646-R651 PolarHBondContact O-NH2 3.46Å; N647-R651 PolarHBondContact O-N 3.13Å; P648-R651 CarbonylContact O-C 3.6Å; P648-R651 WeakPolarHBondContact O-CB 3.2Å; P648-R651 PolarHBondContact O-N 2.61Å; P648-R651 VanDerWaalsContact O-N 3.14Å; R651-E654 PolarHBondContact O-N 3.27Å; R651-A655 VanDerWaalsContact O-CB 3.28Å; R651-A655 WeakPolarHBondContact O-CB 3.47Å; R651-A655 PolarHBondContact O-N 2.82Å; R651-Y721 HydrophobicContact CB-CD2 4.1Å; R651-S724 VanDerWaalsContact NH1-CB 3.35Å; R651-S724 PolarHBondContact NH1-OG 3.15Å |
| 652 | L | 93.3 | Very high | 93.1 | Very high | 20 Ų | 20 | 44 Ų | 44 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.6 | -53.3 | 172.4 | 176.9 | 160.5 | 0 | 0 | 0 | 109.8 | P648 G649 A650 E654 A655 Y656 Y721 | P648-L652 WeakPolarHBondContact O-CB 3.29Å; P648-L652 PolarHBondContact O-N 2.64Å; G649-L652 PolarHBondContact O-N 2.89Å; A650-L652 VanDerWaalsContact C-N 3.35Å; A650-L652 PolarHBondContact O-N 2.82Å; L652-E654 VanDerWaalsContact C-N 3.33Å; L652-E654 PolarHBondContact O-N 3.28Å; L652-A655 PolarHBondContact O-N 3.47Å; L652-Y656 HydrophobicContact CD2-CD2 4.15Å; L652-Y656 HydrophobicContact CG-CD2 4.18Å; L652-Y656 HydrophobicContact CG-CE2 4.31Å; L652-Y656 WeakPolarHBondContact O-CD2 3.25Å; L652-Y656 PolarHBondContact O-N 2.9Å; L652-Y656 VanDerWaalsContact O-N 3.13Å; L652-Y721 HydrophobicContact CB-CD2 4.1Å; L652-Y721 HydrophobicContact CB-CE1 4.2Å; L652-Y721 HydrophobicContact CB-CE2 3.71Å; L652-Y721 HydrophobicContact CD1-CE1 4.5Å; L652-Y721 HydrophobicContact CD1-CE2 4.49Å; L652-Y721 WeakPolarHBondContact CD1-OH 3.47Å; L652-Y721 HydrophobicContact CG-CE1 4.23Å; L652-Y721 HydrophobicContact CG-CE2 4.43Å |
| 653 | N | 92.5 | Very high | 92.9 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -42.4 | -178.3 | -79.2 | -20.9 | 0 | 0 | 0 | 111.7 | N278 G649 A650 Y656 S657 | N278-N653 PolarHBondContact O-ND2 2.96Å; G649-N653 PolarHBondContact O-N 3.45Å; A650-N653 PolarHBondContact O-N 2.98Å; N653-Y656 PolarHBondContact O-N 3.05Å; N653-S657 WeakPolarHBondContact O-CB 3.24Å; N653-S657 PolarHBondContact O-N 3.09Å; N653-S657 PolarHBondContact O-OG 2.88Å |
| 654 | E | 93.3 | Very high | 92.8 | Very high | 105 Ų | 105 | 49.6 Ų | 49.6 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 174.2 | -72.5 | 178.8 | -178.8 | 0 | 0 | 111.8 | A650 R651 L652 Y656 S657 P717 | A650-E654 WeakPolarHBondContact O-CG 3.37Å; A650-E654 PolarHBondContact O-N 3.03Å; R651-E654 PolarHBondContact O-N 3.27Å; L652-E654 VanDerWaalsContact C-N 3.33Å; L652-E654 PolarHBondContact O-N 3.28Å; E654-Y656 PolarHBondContact O-N 3.18Å; E654-S657 WeakPolarHBondContact CA-OG 3.45Å; E654-S657 PolarHBondContact O-N 3.26Å; E654-S657 PolarHBondContact O-OG 2.99Å; E654-P717 HydrophobicContact CB-CB 4.1Å |
| 655 | A | 94.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -30.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | R651 L652 M704 P717 Q718 Y721 | R651-A655 VanDerWaalsContact O-CB 3.28Å; R651-A655 WeakPolarHBondContact O-CB 3.47Å; R651-A655 PolarHBondContact O-N 2.82Å; L652-A655 PolarHBondContact O-N 3.47Å; A655-M704 HydrophobicContact CB-CG 4.12Å; A655-M704 HydrophobicContact CB-SD 3.96Å; A655-P717 HydrophobicContact CB-CB 4.36Å; A655-Q718 PolarHBondContact O-NE2 3Å; A655-Y721 HydrophobicContact CB-CD1 4.22Å; A655-Y721 HydrophobicContact CB-CG 4.38Å |
| 656 | Y | 93.3 | Very high | 93 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -98.6 | -14.2 | 177.4 | -76.7 | -81 | 0 | 0 | 0 | 114.5 | R277 L652 N653 E654 I702 M704 | R277-Y656 VanDerWaalsContact NH2-CD1 3.27Å; L652-Y656 HydrophobicContact CD2-CD2 4.15Å; L652-Y656 HydrophobicContact CG-CD2 4.18Å; L652-Y656 HydrophobicContact CG-CE2 4.31Å; L652-Y656 WeakPolarHBondContact O-CD2 3.25Å; L652-Y656 PolarHBondContact O-N 2.9Å; L652-Y656 VanDerWaalsContact O-N 3.13Å; N653-Y656 PolarHBondContact O-N 3.05Å; E654-Y656 PolarHBondContact O-N 3.18Å; Y656-I702 HydrophobicContact CE1-CG2 4.2Å; Y656-I702 PolarHBondContact OH-O 3.01Å; Y656-M704 HydrophobicContact CE1-CB 4.26Å; Y656-M704 HydrophobicContact CE2-CB 4.35Å; Y656-M704 HydrophobicContact CE2-CG 4.46Å |
| 657 | S | 89.3 | Confident | 93.1 | Very high | 82 Ų | 82 | 39.6 Ų | 39.6 | 57% | 0.573 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -76.1 | -28.5 | -179.7 | 67.3 | 0 | 0 | 0 | 0 | 113.5 | N653 E654 | N653-S657 WeakPolarHBondContact O-CB 3.24Å; N653-S657 PolarHBondContact O-N 3.09Å; N653-S657 PolarHBondContact O-OG 2.88Å; E654-S657 WeakPolarHBondContact CA-OG 3.45Å; E654-S657 PolarHBondContact O-N 3.26Å; E654-S657 PolarHBondContact O-OG 2.99Å |
| 658 | G | 85.1 | Confident | 93.3 | Very high | 35 Ų | 35 | 42.2 Ų | 42.2 | 36% | 0.361 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -107.2 | 156.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 659 | L | 92.3 | Very high | 93.6 | Very high | 73 Ų | 73 | 41.7 Ų | 41.7 | 38% | 0.382 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -95.4 | 126.7 | 171.9 | -68.9 | 173.7 | 0 | 0 | 0 | 110.1 | R253 Y272 V274 | R253-L659 HydrophobicContact CG-CD2 3.89Å; Y272-L659 HydrophobicContact CD2-CD2 4.25Å; Y272-L659 HydrophobicContact CG-CD2 4.32Å; V274-L659 HydrophobicContact CG2-CD1 3.85Å; V274-L659 HydrophobicContact CG2-CD2 3.93Å; V274-L659 HydrophobicContact CG2-CG 3.75Å |
| 660 | P | 94 | Very high | 93.9 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 155.5 | 163.7 | -23 | 34 | 0 | 0 | 0 | 111.6 | A662 L705 E709 Q718 | P660-A662 PolarHBondContact O-N 3.17Å; P660-L705 HydrophobicContact CB-CD1 3.73Å; P660-L705 HydrophobicContact CG-CD1 3.62Å; P660-L705 HydrophobicContact CG-CG 4.45Å; P660-E709 HydrophobicContact CB-CB 3.9Å; P660-E709 HydrophobicContact CB-CG 4.25Å; P660-Q718 HydrophobicContact CG-CG 4.22Å |
| 661 | V | 94.2 | Very high | 94.3 | Very high | 75 Ų | 75 | 48.8 Ų | 48.8 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 116.8 | 174.6 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | P304 E663 E709 N710 | P304-V661 HydrophobicContact CG-CG1 4.06Å; V661-E663 HydrophobicContact CG1-CG 4.28Å; V661-E663 PolarHBondContact O-N 2.89Å; V661-E709 CarbonylContact O-C 3.51Å; V661-E709 WeakPolarHBondContact O-CA 3.45Å; V661-N710 PolarHBondContact O-N 3.09Å |
| 662 | A | 94.5 | Very high | 94.5 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -79.3 | 97.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L305 P660 E709 | L305-A662 HydrophobicContact CD1-CB 3.64Å; L305-A662 HydrophobicContact CG-CB 4Å; P660-A662 PolarHBondContact O-N 3.17Å; A662-E709 HydrophobicContact CB-CG 4.09Å |
| 663 | E | 93.8 | Very high | 94.7 | Very high | 93 Ų | 93 | 48 Ų | 48 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | trans | -79 | -40.4 | -176.6 | -69.3 | -72.4 | -177.6 | 0 | 0 | 111.6 | V661 I690 G708 N710 | V661-E663 HydrophobicContact CG1-CG 4.28Å; V661-E663 PolarHBondContact O-N 2.89Å; E663-I690 HydrophobicContact CB-CD1 3.79Å; E663-I690 HydrophobicContact CB-CG1 4.13Å; E663-I690 HydrophobicContact CG-CD1 4.21Å; E663-I690 HydrophobicContact CG-CG1 4.21Å; E663-G708 PolarHBondContact N-O 2.97Å; E663-N710 HydrophobicContact CG-CB 3.88Å | ||
| 664 | V | 95.6 | Very high | 95 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -130.8 | 160.4 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | E668 A669 I690 G708 | V664-E668 HydrophobicContact CB-CB 3.91Å; V664-E668 HydrophobicContact CG2-CB 4.26Å; V664-A669 HydrophobicContact CG2-CB 4.19Å; V664-I690 HydrophobicContact CG2-CG2 4.07Å; V664-G708 VanDerWaalsContact CG2-CA 3.45Å; V664-G708 PolarHBondContact N-O 3.21Å; V664-G708 VanDerWaalsContact N-O 3.17Å; V664-G708 WeakPolarHBondContact O-CA 3.5Å |
| 665 | T | 96.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | trans | -68.5 | 155.9 | 176 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | K269 L305 R667 E668 A669 | K269-T665 HydrophobicContact CG-CG2 4.25Å; L305-T665 HydrophobicContact CD1-CG2 4.36Å; L305-T665 HydrophobicContact CD2-CG2 4.15Å; T665-R667 PolarHBondContact O-N 2.8Å; T665-R667 VanDerWaalsContact O-N 3.11Å; T665-E668 WeakPolarHBondContact CB-OE2 3.29Å; T665-E668 WeakPolarHBondContact CG2-OE2 3.49Å; T665-E668 PolarHBondContact N-OE2 3.35Å; T665-E668 PolarHBondContact O-N 2.93Å; T665-E668 VanDerWaalsContact OG1-CG 3.3Å; T665-E668 WeakPolarHBondContact OG1-CG 3.28Å; T665-E668 PolarHBondContact OG1-N 2.89Å; T665-E668 PolarHBondContact OG1-OE2 3.48Å; T665-A669 PolarHBondContact O-N 3.44Å | ||
| 666 | P | 96.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.019 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -53.5 | -33.2 | 172.5 | -30.5 | 37 | 0 | 0 | 0 | 113.6 | E260 L263 M264 Y670 S707 | E260-P666 HydrophobicContact CG-CB 4.41Å; L263-P666 HydrophobicContact CB-CB 4.23Å; L263-P666 HydrophobicContact CB-CG 4.06Å; L263-P666 HydrophobicContact CD1-CG 4.28Å; M264-P666 HydrophobicContact CG-CB 3.79Å; P666-Y670 WeakPolarHBondContact O-CB 3.37Å; P666-Y670 PolarHBondContact O-N 3.15Å; P666-S707 VanDerWaalsContact CA-OG 3.29Å; P666-S707 WeakPolarHBondContact CA-OG 3.42Å; P666-S707 WeakPolarHBondContact CB-OG 3.29Å; P666-S707 PolarHBondContact O-OG 2.86Å |
| 667 | R | 97.3 | Very high | 95.6 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 22% | 0.219 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 174.5 | 179 | -177 | -73.5 | -178 | -18 | 112.5 | D245 M264 L265 T266 G267 T665 A669 Y670 N671 | D245-R667 VanDerWaalsContact CG-NH1 3.33Å; D245-R667 IonicContact OD1-CZ 3.53Å; D245-R667 IonicContact OD1-NH1 3.87Å; D245-R667 PolarHBondContact OD1-NH1 3.21Å; M264-R667 WeakPolarHBondContact O-CB 3.21Å; M264-R667 PolarHBondContact O-NE 3.49Å; L265-R667 VanDerWaalsContact C-NH2 3.31Å; L265-R667 PolarHBondContact O-NH2 3.47Å; T266-R667 VanDerWaalsContact CA-NH2 3.33Å; T266-R667 VanDerWaalsContact O-CZ 3.29Å; T266-R667 PolarHBondContact O-NH1 3.46Å; T266-R667 PolarHBondContact O-NH2 2.86Å; G267-R667 VanDerWaalsContact CA-NE 3.28Å; T665-R667 PolarHBondContact O-N 2.8Å; T665-R667 VanDerWaalsContact O-N 3.11Å; R667-A669 VanDerWaalsContact C-N 3.34Å; R667-Y670 PolarHBondContact O-N 2.86Å; R667-N671 VanDerWaalsContact O-CG 3.22Å; R667-N671 PolarHBondContact O-N 3.22Å; R667-N671 PolarHBondContact O-OD1 3.44Å |
| 668 | E | 97 | Very high | 96 | Very high | 100 Ų | 100 | 56.6 Ų | 56.6 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 178.6 | -75 | 162.1 | 140.7 | 0 | 0 | 111.3 | V664 T665 N671 A672 | V664-E668 HydrophobicContact CB-CB 3.91Å; V664-E668 HydrophobicContact CG2-CB 4.26Å; T665-E668 WeakPolarHBondContact CB-OE2 3.29Å; T665-E668 WeakPolarHBondContact CG2-OE2 3.49Å; T665-E668 PolarHBondContact N-OE2 3.35Å; T665-E668 PolarHBondContact O-N 2.93Å; T665-E668 VanDerWaalsContact OG1-CG 3.3Å; T665-E668 WeakPolarHBondContact OG1-CG 3.28Å; T665-E668 PolarHBondContact OG1-N 2.89Å; T665-E668 PolarHBondContact OG1-OE2 3.48Å; E668-N671 PolarHBondContact O-N 3.04Å; E668-A672 PolarHBondContact O-N 3.12Å |
| 669 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V664 T665 R667 A672 I673 G708 | V664-A669 HydrophobicContact CG2-CB 4.19Å; T665-A669 PolarHBondContact O-N 3.44Å; R667-A669 VanDerWaalsContact C-N 3.34Å; A669-A672 WeakPolarHBondContact O-CB 3.36Å; A669-A672 PolarHBondContact O-N 2.95Å; A669-I673 PolarHBondContact O-N 3.25Å; A669-G708 VanDerWaalsContact CB-N 3.35Å |
| 670 | Y | 97.7 | Very high | 96.9 | Very high | 115 Ų | 115 | 58.7 Ų | 58.7 | 45% | 0.451 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 173.7 | 177.1 | -102.4 | 0 | 0 | 0 | 112.5 | P666 R667 A672 I673 V674 | P666-Y670 WeakPolarHBondContact O-CB 3.37Å; P666-Y670 PolarHBondContact O-N 3.15Å; R667-Y670 PolarHBondContact O-N 2.86Å; Y670-A672 VanDerWaalsContact C-N 3.27Å; Y670-A672 PolarHBondContact O-N 3.41Å; Y670-I673 WeakPolarHBondContact O-CB 3.4Å; Y670-I673 PolarHBondContact O-N 3.31Å; Y670-I673 VanDerWaalsContact O-N 3.08Å; Y670-V674 HydrophobicContact CD1-CG2 4.19Å; Y670-V674 HydrophobicContact CE1-CG2 3.7Å; Y670-V674 HydrophobicContact CE2-CG2 4.38Å; Y670-V674 PolarHBondContact O-N 3.39Å; Y670-V674 VanDerWaalsContact O-N 3.07Å |
| 671 | N | 98 | Very high | 97 | Very high | 73 Ų | 73 | 58.4 Ų | 58.4 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 175.2 | -70.8 | -14.7 | 0 | 0 | 0 | 111.4 | R667 E668 I673 V674 D675 | R667-N671 VanDerWaalsContact O-CG 3.22Å; R667-N671 PolarHBondContact O-N 3.22Å; R667-N671 PolarHBondContact O-OD1 3.44Å; E668-N671 PolarHBondContact O-N 3.04Å; N671-I673 VanDerWaalsContact C-N 3.29Å; N671-I673 PolarHBondContact O-N 3.46Å; N671-V674 PolarHBondContact O-N 3.26Å; N671-V674 VanDerWaalsContact O-N 3.13Å; N671-D675 WeakPolarHBondContact O-CB 3.49Å; N671-D675 PolarHBondContact O-N 2.88Å |
| 672 | A | 98.2 | Very high | 97.2 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E668 A669 Y670 N676 N677 V678 V754 | E668-A672 PolarHBondContact O-N 3.12Å; A669-A672 WeakPolarHBondContact O-CB 3.36Å; A669-A672 PolarHBondContact O-N 2.95Å; Y670-A672 VanDerWaalsContact C-N 3.27Å; Y670-A672 PolarHBondContact O-N 3.41Å; A672-N676 PolarHBondContact O-N 3.26Å; A672-N677 HydrophobicContact CB-CB 4.31Å; A672-N677 WeakPolarHBondContact O-CA 3.36Å; A672-N677 PolarHBondContact O-N 3Å; A672-V678 HydrophobicContact CB-CG1 4.31Å; A672-V754 HydrophobicContact CB-CG1 4.09Å; A672-V754 HydrophobicContact CB-CG2 4.03Å |
| 673 | I | 97.8 | Very high | 97.3 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 29% | 0.292 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.2 | -50.3 | 171.5 | -61.7 | 172 | 0 | 0 | 0 | 110 | A669 Y670 N671 D675 N676 V678 A692 M752 | A669-I673 PolarHBondContact O-N 3.25Å; Y670-I673 WeakPolarHBondContact O-CB 3.4Å; Y670-I673 PolarHBondContact O-N 3.31Å; Y670-I673 VanDerWaalsContact O-N 3.08Å; N671-I673 VanDerWaalsContact C-N 3.29Å; N671-I673 PolarHBondContact O-N 3.46Å; I673-D675 VanDerWaalsContact C-N 3.27Å; I673-D675 PolarHBondContact O-N 3.12Å; I673-N676 PolarHBondContact O-N 3.33Å; I673-V678 HydrophobicContact CB-CG1 4.48Å; I673-V678 HydrophobicContact CG1-CG1 3.92Å; I673-A692 HydrophobicContact CD1-CB 4.15Å; I673-A692 WeakPolarHBondContact CD1-O 3.4Å; I673-A692 HydrophobicContact CG1-CB 3.85Å; I673-M752 HydrophobicContact CD1-SD 4.29Å; I673-M752 HydrophobicContact CG1-SD 4.06Å; I673-M752 HydrophobicContact CG2-SD 4.45Å |
| 674 | V | 97.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 56 Ų | 56 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | -178.7 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | Y670 N671 N676 | Y670-V674 HydrophobicContact CD1-CG2 4.19Å; Y670-V674 HydrophobicContact CE1-CG2 3.7Å; Y670-V674 HydrophobicContact CE2-CG2 4.38Å; Y670-V674 PolarHBondContact O-N 3.39Å; Y670-V674 VanDerWaalsContact O-N 3.07Å; N671-V674 PolarHBondContact O-N 3.26Å; N671-V674 VanDerWaalsContact O-N 3.13Å; V674-N676 PolarHBondContact O-N 3.5Å |
| 675 | D | 97.6 | Very high | 97.3 | Very high | 124 Ų | 124 | 59.1 Ų | 59.1 | 66% | 0.663 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 1.3 | 178.3 | -69.2 | -21.3 | 0 | 0 | 0 | 113.4 | N671 I673 N677 | N671-D675 WeakPolarHBondContact O-CB 3.49Å; N671-D675 PolarHBondContact O-N 2.88Å; I673-D675 VanDerWaalsContact C-N 3.27Å; I673-D675 PolarHBondContact O-N 3.12Å; D675-N677 HydrophobicContact CB-CB 4.49Å; D675-N677 PolarHBondContact O-N 3.21Å |
| 676 | N | 97.4 | Very high | 97.4 | Very high | 118 Ų | 118 | 58.7 Ų | 58.7 | 63% | 0.631 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 30.4 | -173.6 | -165.2 | 32.3 | 0 | 0 | 0 | 113 | A672 I673 V674 V678 K755 | A672-N676 PolarHBondContact O-N 3.26Å; I673-N676 PolarHBondContact O-N 3.33Å; V674-N676 PolarHBondContact O-N 3.5Å; N676-V678 PolarHBondContact O-N 2.93Å; N676-K755 PolarHBondContact O-NZ 2.96Å |
| 677 | N | 98.2 | Very high | 97.4 | Very high | 73 Ų | 73 | 60.4 Ų | 60.4 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | trans | -91.1 | 40.9 | 174.6 | -167.4 | 40.6 | 0 | 0 | 0 | 111.8 | A672 D675 K755 | A672-N677 HydrophobicContact CB-CB 4.31Å; A672-N677 WeakPolarHBondContact O-CA 3.36Å; A672-N677 PolarHBondContact O-N 3Å; D675-N677 HydrophobicContact CB-CB 4.49Å; D675-N677 PolarHBondContact O-N 3.21Å; N677-K755 PolarHBondContact O-N 3.27Å | ||
| 678 | V | 98.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 59.8 Ų | 59.8 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 156.9 | -177.7 | -66.3 | 0 | 0 | 0 | 0 | 111.2 | A672 I673 N676 A692 M752 C753 K755 | A672-V678 HydrophobicContact CB-CG1 4.31Å; I673-V678 HydrophobicContact CB-CG1 4.48Å; I673-V678 HydrophobicContact CG1-CG1 3.92Å; N676-V678 PolarHBondContact O-N 2.93Å; V678-A692 HydrophobicContact CB-CB 4.46Å; V678-A692 HydrophobicContact CG1-CB 3.58Å; V678-M752 HydrophobicContact CB-CG 3.84Å; V678-M752 HydrophobicContact CB-SD 4.22Å; V678-M752 HydrophobicContact CG1-CG 4.34Å; V678-M752 HydrophobicContact CG2-CG 4.06Å; V678-M752 HydrophobicContact CG2-SD 3.87Å; V678-C753 CarbonylContact C-O 3.6Å; V678-C753 WeakPolarHBondContact CA-O 3.3Å; V678-C753 WeakPolarHBondContact CB-O 3.41Å; V678-K755 WeakPolarHBondContact O-CE 2.85Å |
| 679 | E | 97.9 | Very high | 97.4 | Very high | 80 Ų | 80 | 56.7 Ų | 56.7 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151.1 | 172.3 | 61.4 | 179.1 | 171.6 | 0 | 0 | 110.4 | V681 R689 C753 K755 | E679-V681 HydrophobicContact CG-CG2 3.85Å; E679-R689 IonicContact OE1-CZ 3.36Å; E679-R689 IonicContact OE1-NH1 2.96Å; E679-R689 PolarHBondContact OE1-NH1 3.24Å; E679-R689 IonicContact OE1-NH2 3.48Å; E679-R689 PolarHBondContact OE1-NH2 3.47Å; E679-C753 PolarHBondContact N-O 3.37Å; E679-C753 PolarHBondContact O-N 3.01Å; E679-K755 HydrophobicContact CB-CG 4.31Å; E679-K755 HydrophobicContact CG-CG 4.17Å |
| 680 | L | 97.6 | Very high | 97.4 | Very high | 72 Ų | 72 | 58.6 Ų | 58.6 | 38% | 0.377 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.6 | 170.5 | -73 | 172.6 | 0 | 0 | 0 | 109.1 | E743 I745 H750 M752 | L680-E743 VanDerWaalsContact CD1-OE2 3.24Å; L680-E743 WeakPolarHBondContact CD1-OE2 3.3Å; L680-I745 HydrophobicContact CD1-CD1 4.41Å; L680-H750 HydrophobicContact CB-CB 4.44Å; L680-M752 HydrophobicContact CD2-CB 4.19Å |
| 681 | V | 98 | Very high | 97.4 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.4 | -176.5 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | E679 N685 L686 R689 H750 V751 C753 | E679-V681 HydrophobicContact CG-CG2 3.85Å; V681-N685 VanDerWaalsContact CG1-C 3.48Å; V681-N685 HydrophobicContact CG1-CB 3.58Å; V681-N685 WeakPolarHBondContact CG1-O 3.29Å; V681-L686 HydrophobicContact CB-CD2 4Å; V681-L686 HydrophobicContact CG1-CD2 4.03Å; V681-R689 HydrophobicContact CG1-CG 4.36Å; V681-R689 VanDerWaalsContact CG2-NH1 3.25Å; V681-H750 CarbonylContact O-C 3.59Å; V681-H750 VanDerWaalsContact O-CA 3.28Å; V681-H750 WeakPolarHBondContact O-CA 3.38Å; V681-V751 PolarHBondContact N-O 2.81Å; V681-V751 PolarHBondContact O-N 3.19Å; V681-C753 HydrophobicContact CB-CB 4.45Å; V681-C753 HydrophobicContact CG2-CB 3.66Å |
| 682 | S | 97.3 | Very high | 97.4 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 149.6 | 174.3 | 62.1 | 0 | 0 | 0 | 0 | 111.2 | E684 N685 L686 Y749 H750 | S682-E684 PolarHBondContact O-N 3.28Å; S682-N685 PolarHBondContact O-N 2.86Å; S682-N685 PolarHBondContact OG-ND2 2.88Å; S682-L686 PolarHBondContact O-N 3.28Å; S682-Y749 CarbonylContact C-O 3.48Å; S682-H750 VanDerWaalsContact CA-CD2 3.49Å; S682-H750 WeakPolarHBondContact CA-CD2 3.49Å; S682-H750 PolarHBondContact N-CD2 2.78Å |
| 683 | I | 95.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -48.5 | -35.9 | -179 | -163 | 167.1 | 0 | 0 | 0 | 114.4 | N685 L686 L722 R723 I748 Y749 | I683-N685 VanDerWaalsContact C-N 3.26Å; I683-N685 PolarHBondContact O-N 2.84Å; I683-L686 HydrophobicContact CB-CD1 4.41Å; I683-L686 HydrophobicContact CG1-CD1 4.08Å; I683-L686 PolarHBondContact O-N 3.39Å; I683-L722 HydrophobicContact CD1-CB 3.73Å; I683-L722 HydrophobicContact CG1-CB 4.47Å; I683-R723 HydrophobicContact CD1-CB 4.24Å; I683-R723 HydrophobicContact CD1-CG 3.61Å; I683-R723 HydrophobicContact CG1-CG 3.99Å; I683-I748 HydrophobicContact CG2-CG2 4.18Å; I683-Y749 PolarHBondContact N-O 3.41Å |
| 684 | E | 94.7 | Very high | 97.2 | Very high | 107 Ų | 107 | 48.9 Ų | 48.9 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -68.1 | -22.8 | 179.5 | -62.5 | -52.4 | 146.1 | 0 | 0 | 114.5 | S682 R723 | S682-E684 PolarHBondContact O-N 3.28Å; E684-R723 IonicContact OE1-NE 3.38Å; E684-R723 IonicContact OE2-CZ 3.3Å; E684-R723 IonicContact OE2-NE 3.96Å; E684-R723 IonicContact OE2-NH2 3.61Å; E684-R723 PolarHBondContact OE2-NH2 3.43Å |
| 685 | N | 96.7 | Very high | 97.1 | Very high | 103 Ų | 103 | 44.6 Ų | 44.6 | 55% | 0.551 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -108.1 | 5 | -176.2 | -66.3 | -49.6 | 0 | 0 | 0 | 112.6 | V681 S682 I683 P687 R689 | V681-N685 VanDerWaalsContact CG1-C 3.48Å; V681-N685 HydrophobicContact CG1-CB 3.58Å; V681-N685 WeakPolarHBondContact CG1-O 3.29Å; S682-N685 PolarHBondContact O-N 2.86Å; S682-N685 PolarHBondContact OG-ND2 2.88Å; I683-N685 VanDerWaalsContact C-N 3.26Å; I683-N685 PolarHBondContact O-N 2.84Å; N685-P687 VanDerWaalsContact C-CD 3.41Å; N685-R689 WeakPolarHBondContact O-CG 3.37Å |
| 686 | L | 97 | Very high | 97 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | trans | -64.9 | -33.2 | 174.8 | -65.7 | 178.2 | 0 | 0 | 0 | 114.7 | V681 S682 I683 G688 R689 F711 V719 L722 V751 | V681-L686 HydrophobicContact CB-CD2 4Å; V681-L686 HydrophobicContact CG1-CD2 4.03Å; S682-L686 PolarHBondContact O-N 3.28Å; I683-L686 HydrophobicContact CB-CD1 4.41Å; I683-L686 HydrophobicContact CG1-CD1 4.08Å; I683-L686 PolarHBondContact O-N 3.39Å; L686-G688 PolarHBondContact O-N 2.86Å; L686-G688 VanDerWaalsContact O-N 3.15Å; L686-R689 WeakPolarHBondContact O-CB 3.4Å; L686-R689 VanDerWaalsContact O-CG 3.29Å; L686-R689 WeakPolarHBondContact O-CG 3.24Å; L686-R689 PolarHBondContact O-N 3.4Å; L686-F711 HydrophobicContact CB-CB 4.3Å; L686-F711 HydrophobicContact CB-CD1 4.19Å; L686-F711 HydrophobicContact CB-CD2 4.19Å; L686-F711 HydrophobicContact CB-CG 3.96Å; L686-F711 HydrophobicContact CD1-CD1 4.19Å; L686-F711 HydrophobicContact CD1-CE1 3.88Å; L686-F711 HydrophobicContact CD1-CZ 4.06Å; L686-F711 HydrophobicContact CD2-CD2 4.17Å; L686-F711 HydrophobicContact CD2-CE2 3.87Å; L686-F711 HydrophobicContact CD2-CZ 4.12Å; L686-F711 VanDerWaalsContact O-CB 3.27Å; L686-F711 WeakPolarHBondContact O-CB 3.42Å; L686-V719 HydrophobicContact CB-CG2 4.29Å; L686-L722 HydrophobicContact CD1-CD1 4.15Å; L686-V751 HydrophobicContact CD1-CG2 3.94Å; L686-V751 HydrophobicContact CD2-CB 3.82Å; L686-V751 HydrophobicContact CD2-CG2 4.08Å | ||
| 687 | P | 96.8 | Very high | 96.8 | Very high | 40 Ų | 40 | 33.7 Ų | 33.7 | 26% | 0.26 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 124.7 | 179.7 | -32 | 38.8 | 0 | 0 | 0 | 113.1 | N685 R689 G712 K714 | N685-P687 VanDerWaalsContact C-CD 3.41Å; P687-R689 VanDerWaalsContact C-N 3.33Å; P687-G712 CarbonylContact C-O 3.56Å; P687-G712 VanDerWaalsContact CA-O 3.29Å; P687-G712 WeakPolarHBondContact CA-O 3.37Å; P687-K714 HydrophobicContact CG-CB 4.26Å |
| 688 | G | 96.1 | Very high | 96.1 | Very high | 45 Ų | 45 | 34.7 Ų | 34.7 | 46% | 0.464 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -4.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L686 N710 G712 | L686-G688 PolarHBondContact O-N 2.86Å; L686-G688 VanDerWaalsContact O-N 3.15Å; G688-N710 WeakPolarHBondContact CA-OD1 3.41Å; G688-N710 PolarHBondContact O-ND2 3.47Å; G688-G712 PolarHBondContact N-O 2.85Å |
| 689 | R | 97.9 | Very high | 94.8 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -85.5 | 151.3 | -178.1 | -55.7 | -57 | -56.8 | -90.1 | -5.1 | 111.8 | E679 V681 N685 L686 P687 N710 F711 C753 V754 | E679-R689 IonicContact OE1-CZ 3.36Å; E679-R689 IonicContact OE1-NH1 2.96Å; E679-R689 PolarHBondContact OE1-NH1 3.24Å; E679-R689 IonicContact OE1-NH2 3.48Å; E679-R689 PolarHBondContact OE1-NH2 3.47Å; V681-R689 HydrophobicContact CG1-CG 4.36Å; V681-R689 VanDerWaalsContact CG2-NH1 3.25Å; N685-R689 WeakPolarHBondContact O-CG 3.37Å; L686-R689 WeakPolarHBondContact O-CB 3.4Å; L686-R689 VanDerWaalsContact O-CG 3.29Å; L686-R689 WeakPolarHBondContact O-CG 3.24Å; L686-R689 PolarHBondContact O-N 3.4Å; P687-R689 VanDerWaalsContact C-N 3.33Å; R689-N710 CarbonylContact O-C 3.39Å; R689-N710 WeakPolarHBondContact O-CA 3.47Å; R689-F711 HydrophobicContact CB-CD2 4.39Å; R689-F711 WeakPolarHBondContact O-CD2 3.45Å; R689-F711 PolarHBondContact O-N 2.82Å; R689-C753 HydrophobicContact CB-CB 4.14Å; R689-V754 PolarHBondContact NH2-O 2.94Å |
| 690 | I | 97.9 | Very high | 93.6 | Very high | 40 Ų | 40 | 33.1 Ų | 33.1 | 21% | 0.205 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -96.8 | 123.9 | 174.5 | -59.1 | 170.6 | 0 | 0 | 0 | 108.1 | E663 V664 E709 C753 V754 | E663-I690 HydrophobicContact CB-CD1 3.79Å; E663-I690 HydrophobicContact CB-CG1 4.13Å; E663-I690 HydrophobicContact CG-CD1 4.21Å; E663-I690 HydrophobicContact CG-CG1 4.21Å; V664-I690 HydrophobicContact CG2-CG2 4.07Å; I690-E709 WeakPolarHBondContact CA-O 3.38Å; I690-C753 CarbonylContact O-C 3.17Å; I690-C753 WeakPolarHBondContact O-CA 3.22Å; I690-C753 WeakPolarHBondContact O-CB 3.22Å; I690-V754 HydrophobicContact CB-CB 4.31Å; I690-V754 HydrophobicContact CB-CG2 4.37Å; I690-V754 HydrophobicContact CG2-CG2 4.08Å; I690-V754 PolarHBondContact O-N 2.84Å |
| 691 | A | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -68.7 | 134.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L705 G708 E709 F711 | A691-L705 HydrophobicContact CB-CD2 3.2Å; A691-G708 PolarHBondContact O-N 3.46Å; A691-E709 PolarHBondContact N-O 3.31Å; A691-F711 HydrophobicContact CB-CE2 3.79Å; A691-F711 HydrophobicContact CB-CZ 4.32Å |
| 692 | A | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -84.6 | -29.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I673 V678 S707 M752 V754 | I673-A692 HydrophobicContact CD1-CB 4.15Å; I673-A692 WeakPolarHBondContact CD1-O 3.4Å; I673-A692 HydrophobicContact CG1-CB 3.85Å; V678-A692 HydrophobicContact CB-CB 4.46Å; V678-A692 HydrophobicContact CG1-CB 3.58Å; A692-S707 VanDerWaalsContact O-CB 3.25Å; A692-S707 WeakPolarHBondContact O-CB 3.47Å; A692-M752 HydrophobicContact CB-CB 4.41Å; A692-M752 HydrophobicContact CB-CG 3.96Å; A692-M752 WeakPolarHBondContact CB-O 3.42Å; A692-M752 HydrophobicContact CB-SD 4.44Å; A692-M752 PolarHBondContact N-O 3.37Å; A692-V754 HydrophobicContact CB-CG2 4.27Å |
| 693 | N | 95.7 | Very high | 92 | Very high | 39 Ų | 39 | 28.7 Ų | 28.7 | 21% | 0.209 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -125.6 | 161.2 | 177.2 | 61.3 | -25.7 | 0 | 0 | 0 | 110.7 | G741 M752 | N693-G741 VanDerWaalsContact ND2-CA 3.34Å; N693-G741 WeakPolarHBondContact ND2-CA 3.41Å; N693-G741 PolarHBondContact ND2-O 2.81Å; N693-M752 PolarHBondContact OD1-O 2.76Å |
| 694 | S | 96.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 8% | 0.077 | 16% | 0.159 | C | C | . | . | trans | -62.5 | 144.9 | 171.2 | -97 | 0 | 0 | 0 | 0 | 112.3 | E260 L705 G741 | E260-S694 PolarHBondContact OE1-OG 2.93Å; E260-S694 WeakPolarHBondContact OE2-CB 3.22Å; E260-S694 PolarHBondContact OE2-OG 3.49Å; S694-L705 CarbonylContact C-O 3.57Å; S694-L705 VanDerWaalsContact CA-O 3.31Å; S694-L705 WeakPolarHBondContact CA-O 3.39Å; S694-L705 PolarHBondContact OG-O 3.06Å; S694-G741 WeakPolarHBondContact O-CA 2.92Å | ||
| 695 | V | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -109.7 | 117.8 | 169.7 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | M704 L705 F711 L722 T739 T742 V751 | V695-M704 HydrophobicContact CB-CE 4.38Å; V695-M704 HydrophobicContact CG1-CE 3.98Å; V695-M704 PolarHBondContact O-N 3.48Å; V695-L705 HydrophobicContact CB-CB 4.33Å; V695-L705 PolarHBondContact N-O 3.34Å; V695-L705 PolarHBondContact O-N 2.69Å; V695-F711 HydrophobicContact CG2-CZ 4.05Å; V695-L722 HydrophobicContact CG1-CD1 4.26Å; V695-L722 HydrophobicContact CG1-CD2 3.81Å; V695-T739 HydrophobicContact CG1-CG2 4.08Å; V695-T742 HydrophobicContact CG1-CG2 4.05Å; V695-V751 HydrophobicContact CG2-CG1 3.69Å; V695-V751 HydrophobicContact CG2-CG2 4.32Å |
| 696 | I | 95.4 | Very high | 92 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 96.9 | -167.3 | -42.7 | -178.4 | 0 | 0 | 0 | 110.7 | K257 Y698 P703 T739 E740 | K257-I696 HydrophobicContact CB-CD1 3.88Å; K257-I696 HydrophobicContact CD-CD1 4.01Å; I696-Y698 PolarHBondContact O-N 3.02Å; I696-P703 HydrophobicContact CD1-CG 4.07Å; I696-P703 HydrophobicContact CG1-CB 4.25Å; I696-P703 HydrophobicContact CG1-CG 4.13Å; I696-T739 CarbonylContact O-C 3.23Å; I696-T739 WeakPolarHBondContact O-CA 3.08Å; I696-E740 HydrophobicContact CB-CB 4.09Å; I696-E740 PolarHBondContact N-O 2.88Å; I696-E740 PolarHBondContact O-N 3.43Å |
| 697 | P | 92 | Very high | 92 | Very high | 10 Ų | 10 | 19 Ų | 19 | 7% | 0.065 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 124.8 | 162.7 | -23.7 | 36 | 0 | 0 | 0 | 110 | M704 Y721 L725 T739 | P697-M704 HydrophobicContact CG-CB 4.44Å; P697-Y721 HydrophobicContact CB-CE1 4.18Å; P697-Y721 HydrophobicContact CG-CD1 4.43Å; P697-Y721 HydrophobicContact CG-CE1 3.78Å; P697-L725 HydrophobicContact CB-CD1 4.15Å; P697-L725 HydrophobicContact CG-CD1 4.01Å; P697-T739 HydrophobicContact CG-CG2 4.32Å |
| 698 | Y | 83.8 | Confident | 92 | Very high | 93 Ų | 93 | 17 Ų | 17 | 37% | 0.365 | 10% | 0.097 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142.6 | -169.2 | -165.7 | -91.8 | 0 | 0 | 0 | 112.1 | I696 E738 | I696-Y698 PolarHBondContact O-N 3.02Å; Y698-E738 PolarHBondContact N-O 2.78Å |
| 699 | P | 70.9 | Confident | 92 | Very high | 48 Ų | 48 | 15 Ų | 15 | 31% | 0.312 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -68.8 | 159.5 | -8.2 | 28.4 | -34.6 | 0 | 0 | 0 | 113.1 | R573 | R573-P699 HydrophobicContact CB-CG 4.27Å; R573-P699 HydrophobicContact CG-CG 4.29Å |
| 700 | P | 73.4 | Confident | 92 | Very high | 17 Ų | 17 | 14.5 Ų | 14.5 | 11% | 0.11 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -112.5 | 9.8 | 21.9 | 40.3 | -37.3 | 0 | 0 | 0 | 117.7 | I283 Y324 I702 | I283-P700 HydrophobicContact CD1-CG 4.28Å; Y324-P700 HydrophobicContact CD1-CB 4Å; Y324-P700 HydrophobicContact CD2-CB 3.26Å; Y324-P700 HydrophobicContact CD2-CG 4.41Å; Y324-P700 HydrophobicContact CE1-CB 4.27Å; Y324-P700 HydrophobicContact CE2-CB 3.53Å; Y324-P700 HydrophobicContact CG-CB 3.5Å; Y324-P700 HydrophobicContact CG-CG 4.34Å; P700-I702 HydrophobicContact CB-CD1 4.35Å; P700-I702 HydrophobicContact CG-CB 4.2Å; P700-I702 HydrophobicContact CG-CD1 3.41Å; P700-I702 VanDerWaalsContact CG-CD1 3.41Å; P700-I702 HydrophobicContact CG-CG1 3.79Å |
| 701 | G | 76 | Confident | 91.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | 93.3 | 25.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K257 | K257-G701 PolarHBondContact N-O 3.28Š| ||
| 702 | I | 89.4 | Confident | 91.8 | Very high | 9 Ų | 9 | 14 Ų | 14 | 5% | 0.046 | 8% | 0.081 | C | C | . | . | trans | -107.5 | 114.1 | -178.6 | -65.8 | 167 | 0 | 0 | 0 | 108.8 | N254 I283 Y656 P700 M704 | N254-I702 WeakPolarHBondContact OD1-CD1 3.28Å; I283-I702 HydrophobicContact CD1-CD1 3.62Å; Y656-I702 HydrophobicContact CE1-CG2 4.2Å; Y656-I702 PolarHBondContact OH-O 3.01Å; P700-I702 HydrophobicContact CB-CD1 4.35Å; P700-I702 HydrophobicContact CG-CB 4.2Å; P700-I702 HydrophobicContact CG-CD1 3.41Å; P700-I702 VanDerWaalsContact CG-CD1 3.41Å; P700-I702 HydrophobicContact CG-CG1 3.79Å; I702-M704 PolarHBondContact O-N 3.34Å | ||
| 703 | P | 93.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | trans | -59.5 | 128.1 | -175.5 | -26.1 | 36.4 | 0 | 0 | 0 | 112.6 | C255 I696 L706 | C255-P703 WeakPolarHBondContact O-CD 3.39Å; I696-P703 HydrophobicContact CD1-CG 4.07Å; I696-P703 HydrophobicContact CG1-CB 4.25Å; I696-P703 HydrophobicContact CG1-CG 4.13Å; P703-L706 HydrophobicContact CB-CD2 3.49Å; P703-L706 VanDerWaalsContact CB-CD2 3.49Å; P703-L706 HydrophobicContact CB-CG 4.11Å; P703-L706 HydrophobicContact CG-CD2 3.54Å | ||
| 704 | M | 94.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -70.7 | -45 | 165.3 | 179.3 | -167.4 | 61.2 | 0 | 0 | 109.1 | R253 A655 Y656 V695 P697 I702 Q718 Y721 L722 | R253-M704 PolarHBondContact NH2-O 2.92Å; A655-M704 HydrophobicContact CB-CG 4.12Å; A655-M704 HydrophobicContact CB-SD 3.96Å; Y656-M704 HydrophobicContact CE1-CB 4.26Å; Y656-M704 HydrophobicContact CE2-CB 4.35Å; Y656-M704 HydrophobicContact CE2-CG 4.46Å; V695-M704 HydrophobicContact CB-CE 4.38Å; V695-M704 HydrophobicContact CG1-CE 3.98Å; V695-M704 PolarHBondContact O-N 3.48Å; P697-M704 HydrophobicContact CG-CB 4.44Å; I702-M704 PolarHBondContact O-N 3.34Å; M704-Q718 HydrophobicContact CE-CB 3.91Å; M704-Q718 HydrophobicContact CE-CG 4.34Å; M704-Q718 HydrophobicContact CG-CG 4.03Å; M704-Q718 HydrophobicContact SD-CB 4.01Å; M704-Q718 HydrophobicContact SD-CG 4.12Å; M704-Y721 HydrophobicContact SD-CD1 3.69Å; M704-L722 HydrophobicContact CE-CD1 3.93Å; M704-L722 HydrophobicContact CE-CD2 4.04Å; M704-L722 HydrophobicContact CE-CG 3.75Å |
| 705 | L | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -129.7 | 129 | 178.2 | -164.3 | 108.8 | 0 | 0 | 0 | 108.4 | P660 A691 S694 V695 E709 F711 Q718 | P660-L705 HydrophobicContact CB-CD1 3.73Å; P660-L705 HydrophobicContact CG-CD1 3.62Å; P660-L705 HydrophobicContact CG-CG 4.45Å; A691-L705 HydrophobicContact CB-CD2 3.2Å; S694-L705 CarbonylContact C-O 3.57Å; S694-L705 VanDerWaalsContact CA-O 3.31Å; S694-L705 WeakPolarHBondContact CA-O 3.39Å; S694-L705 PolarHBondContact OG-O 3.06Å; V695-L705 HydrophobicContact CB-CB 4.33Å; V695-L705 PolarHBondContact N-O 3.34Å; V695-L705 PolarHBondContact O-N 2.69Å; L705-E709 HydrophobicContact CD1-CB 4.13Å; L705-E709 HydrophobicContact CD2-CB 4.34Å; L705-E709 HydrophobicContact CG-CB 3.9Å; L705-F711 HydrophobicContact CD1-CD1 4.46Å; L705-F711 HydrophobicContact CD2-CD1 4.38Å; L705-F711 HydrophobicContact CD2-CD2 4.29Å; L705-F711 HydrophobicContact CD2-CE1 3.99Å; L705-F711 HydrophobicContact CD2-CE2 3.9Å; L705-F711 HydrophobicContact CD2-CZ 3.74Å; L705-Q718 HydrophobicContact CD1-CB 4.42Å; L705-Q718 HydrophobicContact CD1-CG 4.13Å |
| 706 | L | 96.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | trans | -87.8 | 161.4 | 176.8 | -68.4 | 171.3 | 0 | 0 | 0 | 111.1 | E260 Y272 P703 G708 E709 | E260-L706 HydrophobicContact CB-CD2 3.86Å; E260-L706 HydrophobicContact CG-CD2 3.8Å; Y272-L706 HydrophobicContact CE1-CD1 3.61Å; Y272-L706 HydrophobicContact CE2-CD1 4.29Å; Y272-L706 WeakPolarHBondContact OH-CD1 3.33Å; P703-L706 HydrophobicContact CB-CD2 3.49Å; P703-L706 VanDerWaalsContact CB-CD2 3.49Å; P703-L706 HydrophobicContact CB-CG 4.11Å; P703-L706 HydrophobicContact CG-CD2 3.54Å; L706-G708 PolarHBondContact O-N 3.02Å; L706-E709 HydrophobicContact CB-CG 4.34Å; L706-E709 PolarHBondContact N-OE2 2.84Å; L706-E709 WeakPolarHBondContact O-CB 3.33Å; L706-E709 PolarHBondContact O-N 2.93Å | ||
| 707 | S | 97.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 136.9 | 171.6 | 70.9 | 0 | 0 | 0 | 0 | 111.4 | E260 M264 P666 A692 | E260-S707 WeakPolarHBondContact OE1-CB 3.24Å; E260-S707 PolarHBondContact OE1-N 3.25Å; E260-S707 PolarHBondContact OE1-OG 3.49Å; M264-S707 WeakPolarHBondContact CE-OG 3.49Å; P666-S707 VanDerWaalsContact CA-OG 3.29Å; P666-S707 WeakPolarHBondContact CA-OG 3.42Å; P666-S707 WeakPolarHBondContact CB-OG 3.29Å; P666-S707 PolarHBondContact O-OG 2.86Å; A692-S707 VanDerWaalsContact O-CB 3.25Å; A692-S707 WeakPolarHBondContact O-CB 3.47Å |
| 708 | G | 97.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -2.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | E663 V664 A669 A691 L706 | E663-G708 PolarHBondContact N-O 2.97Å; V664-G708 VanDerWaalsContact CG2-CA 3.45Å; V664-G708 PolarHBondContact N-O 3.21Å; V664-G708 VanDerWaalsContact N-O 3.17Å; V664-G708 WeakPolarHBondContact O-CA 3.5Å; A669-G708 VanDerWaalsContact CB-N 3.35Å; A691-G708 PolarHBondContact O-N 3.46Å; L706-G708 PolarHBondContact O-N 3.02Å |
| 709 | E | 97.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -89.8 | 147.5 | 175.2 | -69.5 | 179.1 | 165 | 0 | 0 | 113.1 | R253 P660 V661 A662 I690 A691 L705 L706 | R253-E709 IonicContact CZ-OE1 3.02Å; R253-E709 IonicContact CZ-OE2 3.96Å; R253-E709 IonicContact NH1-OE1 3.56Å; R253-E709 PolarHBondContact NH1-OE1 2.86Å; R253-E709 IonicContact NH1-OE2 2.61Å; R253-E709 VanDerWaalsContact NH2-CD 3.33Å; R253-E709 IonicContact NH2-OE1 2.84Å; R253-E709 PolarHBondContact NH2-OE1 2.61Å; R253-E709 IonicContact NH2-OE2 3.12Å; R253-E709 PolarHBondContact NH2-OE2 3.25Å; P660-E709 HydrophobicContact CB-CB 3.9Å; P660-E709 HydrophobicContact CB-CG 4.25Å; V661-E709 CarbonylContact O-C 3.51Å; V661-E709 WeakPolarHBondContact O-CA 3.45Å; A662-E709 HydrophobicContact CB-CG 4.09Å; I690-E709 WeakPolarHBondContact CA-O 3.38Å; A691-E709 PolarHBondContact N-O 3.31Å; L705-E709 HydrophobicContact CD1-CB 4.13Å; L705-E709 HydrophobicContact CD2-CB 4.34Å; L705-E709 HydrophobicContact CG-CB 3.9Å; L706-E709 HydrophobicContact CB-CG 4.34Å; L706-E709 PolarHBondContact N-OE2 2.84Å; L706-E709 WeakPolarHBondContact O-CB 3.33Å; L706-E709 PolarHBondContact O-N 2.93Å |
| 710 | N | 96.6 | Very high | 93.1 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -86.2 | 137.6 | 177.5 | -162.2 | -69.3 | 0 | 0 | 0 | 111.3 | V661 E663 G688 R689 G712 | V661-N710 PolarHBondContact O-N 3.09Å; E663-N710 HydrophobicContact CG-CB 3.88Å; G688-N710 WeakPolarHBondContact CA-OD1 3.41Å; G688-N710 PolarHBondContact O-ND2 3.47Å; R689-N710 CarbonylContact O-C 3.39Å; R689-N710 WeakPolarHBondContact O-CA 3.47Å; N710-G712 PolarHBondContact O-N 2.69Å; N710-G712 VanDerWaalsContact O-N 3.15Å; N710-G712 PolarHBondContact OD1-N 2.95Å |
| 711 | F | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -66.4 | -7.5 | 174.9 | -84.2 | -78.5 | 0 | 0 | 0 | 114.6 | L686 R689 A691 V695 L705 S716 V719 L722 V751 | L686-F711 HydrophobicContact CB-CB 4.3Å; L686-F711 HydrophobicContact CB-CD1 4.19Å; L686-F711 HydrophobicContact CB-CD2 4.19Å; L686-F711 HydrophobicContact CB-CG 3.96Å; L686-F711 HydrophobicContact CD1-CD1 4.19Å; L686-F711 HydrophobicContact CD1-CE1 3.88Å; L686-F711 HydrophobicContact CD1-CZ 4.06Å; L686-F711 HydrophobicContact CD2-CD2 4.17Å; L686-F711 HydrophobicContact CD2-CE2 3.87Å; L686-F711 HydrophobicContact CD2-CZ 4.12Å; L686-F711 VanDerWaalsContact O-CB 3.27Å; L686-F711 WeakPolarHBondContact O-CB 3.42Å; R689-F711 HydrophobicContact CB-CD2 4.39Å; R689-F711 WeakPolarHBondContact O-CD2 3.45Å; R689-F711 PolarHBondContact O-N 2.82Å; A691-F711 HydrophobicContact CB-CE2 3.79Å; A691-F711 HydrophobicContact CB-CZ 4.32Å; V695-F711 HydrophobicContact CG2-CZ 4.05Å; L705-F711 HydrophobicContact CD1-CD1 4.46Å; L705-F711 HydrophobicContact CD2-CD1 4.38Å; L705-F711 HydrophobicContact CD2-CD2 4.29Å; L705-F711 HydrophobicContact CD2-CE1 3.99Å; L705-F711 HydrophobicContact CD2-CE2 3.9Å; L705-F711 HydrophobicContact CD2-CZ 3.74Å; F711-S716 WeakPolarHBondContact O-CB 3.41Å; F711-S716 PolarHBondContact O-OG 3.39Å; F711-V719 HydrophobicContact CB-CG2 4.07Å; F711-V719 HydrophobicContact CD1-CG2 3.89Å; F711-V719 HydrophobicContact CG-CG2 4.39Å; F711-L722 HydrophobicContact CE1-CD1 3.87Å; F711-V751 HydrophobicContact CE2-CG1 4.22Å; F711-V751 HydrophobicContact CZ-CB 4.2Å; F711-V751 HydrophobicContact CZ-CG1 3.94Å; F711-V751 HydrophobicContact CZ-CG2 4.13Å | ||
| 712 | G | 95.5 | Very high | 95 | Very high | 30 Ų | 30 | 26.6 Ų | 26.6 | 31% | 0.309 | 15% | 0.146 | S | C | . | . | trans | 74 | -162.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P687 G688 N710 | P687-G712 CarbonylContact C-O 3.56Å; P687-G712 VanDerWaalsContact CA-O 3.29Å; P687-G712 WeakPolarHBondContact CA-O 3.37Å; G688-G712 PolarHBondContact N-O 2.85Å; N710-G712 PolarHBondContact O-N 2.69Å; N710-G712 VanDerWaalsContact O-N 3.15Å; N710-G712 PolarHBondContact OD1-N 2.95Å | ||
| 713 | D | 95.4 | Very high | 95.3 | Very high | 96 Ų | 96 | 29.4 Ų | 29.4 | 51% | 0.513 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -84.1 | -172.9 | 178.6 | 72.8 | 18.6 | 0 | 0 | 0 | 112.6 | N715 S716 | D713-N715 PolarHBondContact O-N 3.22Å; D713-N715 VanDerWaalsContact O-N 3.13Å; D713-N715 WeakPolarHBondContact OD1-CA 3.36Å; D713-N715 WeakPolarHBondContact OD1-CB 3.38Å; D713-N715 PolarHBondContact OD1-N 3.26Å; D713-S716 WeakPolarHBondContact O-CB 3.47Å; D713-S716 PolarHBondContact O-N 3.39Å; D713-S716 PolarHBondContact OD1-N 3.04Å |
| 714 | K | 92.5 | Very high | 95.3 | Very high | 148 Ų | 148 | 29.4 Ų | 29.4 | 64% | 0.643 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.9 | -180 | 65.6 | 176.5 | -178.5 | 176.4 | 0 | 114.8 | P687 R723 | P687-K714 HydrophobicContact CG-CB 4.26Å; K714-R723 PolarHBondContact O-NH1 3.17Å |
| 715 | N | 92.3 | Very high | 95.3 | Very high | 120 Ų | 120 | 29.5 Ų | 29.5 | 64% | 0.642 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 8.3 | 177.6 | -51.9 | -45.6 | 0 | 0 | 0 | 111.7 | D713 | D713-N715 PolarHBondContact O-N 3.22Å; D713-N715 VanDerWaalsContact O-N 3.13Å; D713-N715 WeakPolarHBondContact OD1-CA 3.36Å; D713-N715 WeakPolarHBondContact OD1-CB 3.38Å; D713-N715 PolarHBondContact OD1-N 3.26Å |
| 716 | S | 94.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | trans | -52.9 | 129.9 | 176.1 | 168 | 0 | 0 | 0 | 0 | 111.9 | F711 D713 Q718 V719 S720 | F711-S716 WeakPolarHBondContact O-CB 3.41Å; F711-S716 PolarHBondContact O-OG 3.39Å; D713-S716 WeakPolarHBondContact O-CB 3.47Å; D713-S716 PolarHBondContact O-N 3.39Å; D713-S716 PolarHBondContact OD1-N 3.04Å; S716-Q718 PolarHBondContact O-N 3.43Å; S716-Q718 PolarHBondContact OG-N 3.01Å; S716-Q718 PolarHBondContact OG-OE1 2.91Å; S716-V719 PolarHBondContact O-N 2.85Å; S716-S720 WeakPolarHBondContact O-CB 3.34Å; S716-S720 PolarHBondContact O-N 3.03Å | ||
| 717 | P | 95.4 | Very high | 95.3 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 29% | 0.292 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -54.2 | -38.4 | 173.6 | -29.7 | 37.8 | 0 | 0 | 0 | 113.2 | E654 A655 S720 Y721 | E654-P717 HydrophobicContact CB-CB 4.1Å; A655-P717 HydrophobicContact CB-CB 4.36Å; P717-S720 PolarHBondContact O-N 2.98Å; P717-Y721 PolarHBondContact O-N 2.81Å |
| 718 | Q | 95.2 | Very high | 95.3 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -43.5 | -179.1 | -66.3 | 75.9 | 20.1 | 0 | 0 | 111.6 | A655 P660 M704 L705 S716 L722 | A655-Q718 PolarHBondContact O-NE2 3Å; P660-Q718 HydrophobicContact CG-CG 4.22Å; M704-Q718 HydrophobicContact CE-CB 3.91Å; M704-Q718 HydrophobicContact CE-CG 4.34Å; M704-Q718 HydrophobicContact CG-CG 4.03Å; M704-Q718 HydrophobicContact SD-CB 4.01Å; M704-Q718 HydrophobicContact SD-CG 4.12Å; L705-Q718 HydrophobicContact CD1-CB 4.42Å; L705-Q718 HydrophobicContact CD1-CG 4.13Å; S716-Q718 PolarHBondContact O-N 3.43Å; S716-Q718 PolarHBondContact OG-N 3.01Å; S716-Q718 PolarHBondContact OG-OE1 2.91Å; Q718-L722 WeakPolarHBondContact O-CG 3.19Å; Q718-L722 PolarHBondContact O-N 2.77Å; Q718-L722 VanDerWaalsContact O-N 3.11Å |
| 719 | V | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.4 | -38.8 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | L686 F711 S716 L722 R723 | L686-V719 HydrophobicContact CB-CG2 4.29Å; F711-V719 HydrophobicContact CB-CG2 4.07Å; F711-V719 HydrophobicContact CD1-CG2 3.89Å; F711-V719 HydrophobicContact CG-CG2 4.39Å; S716-V719 PolarHBondContact O-N 2.85Å; V719-L722 PolarHBondContact O-N 2.77Å; V719-R723 WeakPolarHBondContact O-CG 3.41Å; V719-R723 PolarHBondContact O-N 2.81Å |
| 720 | S | 95 | Very high | 95 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 177.7 | -164.9 | 0 | 0 | 0 | 0 | 111.8 | S716 P717 R723 S724 | S716-S720 WeakPolarHBondContact O-CB 3.34Å; S716-S720 PolarHBondContact O-N 3.03Å; P717-S720 PolarHBondContact O-N 2.98Å; S720-R723 PolarHBondContact O-N 3Å; S720-S724 PolarHBondContact O-N 3.11Å |
| 721 | Y | 94.9 | Very high | 94.9 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -43.7 | 177.4 | -175.9 | -136.2 | 0 | 0 | 0 | 112.3 | R651 L652 A655 P697 M704 P717 R723 S724 L725 | R651-Y721 HydrophobicContact CB-CD2 4.1Å; L652-Y721 HydrophobicContact CB-CD2 4.1Å; L652-Y721 HydrophobicContact CB-CE1 4.2Å; L652-Y721 HydrophobicContact CB-CE2 3.71Å; L652-Y721 HydrophobicContact CD1-CE1 4.5Å; L652-Y721 HydrophobicContact CD1-CE2 4.49Å; L652-Y721 WeakPolarHBondContact CD1-OH 3.47Å; L652-Y721 HydrophobicContact CG-CE1 4.23Å; L652-Y721 HydrophobicContact CG-CE2 4.43Å; A655-Y721 HydrophobicContact CB-CD1 4.22Å; A655-Y721 HydrophobicContact CB-CG 4.38Å; P697-Y721 HydrophobicContact CB-CE1 4.18Å; P697-Y721 HydrophobicContact CG-CD1 4.43Å; P697-Y721 HydrophobicContact CG-CE1 3.78Å; M704-Y721 HydrophobicContact SD-CD1 3.69Å; P717-Y721 PolarHBondContact O-N 2.81Å; Y721-R723 VanDerWaalsContact C-N 3.31Å; Y721-R723 PolarHBondContact O-N 3.49Å; Y721-S724 WeakPolarHBondContact O-CA 3.21Å; Y721-S724 WeakPolarHBondContact O-CB 3.2Å; Y721-S724 PolarHBondContact O-N 2.73Å; Y721-L725 HydrophobicContact CD2-CG 4.45Å; Y721-L725 HydrophobicContact CE1-CD1 4.12Å; Y721-L725 HydrophobicContact CE2-CD1 4.44Å; Y721-L725 HydrophobicContact CE2-CD2 3.89Å; Y721-L725 HydrophobicContact CE2-CG 4.05Å; Y721-L725 PolarHBondContact O-N 3.03Å |
| 722 | L | 94.7 | Very high | 95 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -40.5 | 174.1 | -72.3 | 174.1 | 0 | 0 | 0 | 112.8 | I683 L686 V695 M704 F711 Q718 V719 S724 L725 Q726 T739 | I683-L722 HydrophobicContact CD1-CB 3.73Å; I683-L722 HydrophobicContact CG1-CB 4.47Å; L686-L722 HydrophobicContact CD1-CD1 4.15Å; V695-L722 HydrophobicContact CG1-CD1 4.26Å; V695-L722 HydrophobicContact CG1-CD2 3.81Å; M704-L722 HydrophobicContact CE-CD1 3.93Å; M704-L722 HydrophobicContact CE-CD2 4.04Å; M704-L722 HydrophobicContact CE-CG 3.75Å; F711-L722 HydrophobicContact CE1-CD1 3.87Å; Q718-L722 WeakPolarHBondContact O-CG 3.19Å; Q718-L722 PolarHBondContact O-N 2.77Å; Q718-L722 VanDerWaalsContact O-N 3.11Å; V719-L722 PolarHBondContact O-N 2.77Å; L722-S724 PolarHBondContact O-N 2.87Å; L722-L725 HydrophobicContact CD2-CD1 4.43Å; L722-L725 PolarHBondContact O-N 3.49Å; L722-Q726 PolarHBondContact O-N 2.66Å; L722-T739 HydrophobicContact CD2-CG2 4.12Å |
| 723 | R | 95.3 | Very high | 95 | Very high | 69 Ų | 69 | 41.7 Ų | 41.7 | 26% | 0.26 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.8 | -34.5 | 175.2 | -77.1 | -180 | 173.4 | 137.3 | -3.3 | 111.3 | I683 E684 K714 V719 S720 Y721 S727 | I683-R723 HydrophobicContact CD1-CB 4.24Å; I683-R723 HydrophobicContact CD1-CG 3.61Å; I683-R723 HydrophobicContact CG1-CG 3.99Å; E684-R723 IonicContact OE1-NE 3.38Å; E684-R723 IonicContact OE2-CZ 3.3Å; E684-R723 IonicContact OE2-NE 3.96Å; E684-R723 IonicContact OE2-NH2 3.61Å; E684-R723 PolarHBondContact OE2-NH2 3.43Å; K714-R723 PolarHBondContact O-NH1 3.17Å; V719-R723 WeakPolarHBondContact O-CG 3.41Å; V719-R723 PolarHBondContact O-N 2.81Å; S720-R723 PolarHBondContact O-N 3Å; Y721-R723 VanDerWaalsContact C-N 3.31Å; Y721-R723 PolarHBondContact O-N 3.49Å; R723-S727 VanDerWaalsContact O-CB 3.24Å; R723-S727 WeakPolarHBondContact O-CB 3.45Å; R723-S727 PolarHBondContact O-N 3.27Å |
| 724 | S | 94.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 174.2 | -147.1 | 0 | 0 | 0 | 0 | 112.1 | W642 R651 S720 Y721 L722 S727 W728 | W642-S724 WeakPolarHBondContact CH2-O 3.31Å; R651-S724 VanDerWaalsContact NH1-CB 3.35Å; R651-S724 PolarHBondContact NH1-OG 3.15Å; S720-S724 PolarHBondContact O-N 3.11Å; Y721-S724 WeakPolarHBondContact O-CA 3.21Å; Y721-S724 WeakPolarHBondContact O-CB 3.2Å; Y721-S724 PolarHBondContact O-N 2.73Å; L722-S724 PolarHBondContact O-N 2.87Å; S724-S727 PolarHBondContact O-N 2.83Å; S724-W728 PolarHBondContact O-N 3.25Å |
| 725 | L | 94.5 | Very high | 95 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -50.3 | 177.2 | -64.3 | 176.4 | 0 | 0 | 0 | 111.3 | P697 Y721 L722 S727 W728 D729 H737 Y749 | P697-L725 HydrophobicContact CB-CD1 4.15Å; P697-L725 HydrophobicContact CG-CD1 4.01Å; Y721-L725 HydrophobicContact CD2-CG 4.45Å; Y721-L725 HydrophobicContact CE1-CD1 4.12Å; Y721-L725 HydrophobicContact CE2-CD1 4.44Å; Y721-L725 HydrophobicContact CE2-CD2 3.89Å; Y721-L725 HydrophobicContact CE2-CG 4.05Å; Y721-L725 PolarHBondContact O-N 3.03Å; L722-L725 HydrophobicContact CD2-CD1 4.43Å; L722-L725 PolarHBondContact O-N 3.49Å; L725-S727 PolarHBondContact O-N 3.29Å; L725-W728 WeakPolarHBondContact O-CB 3.34Å; L725-W728 PolarHBondContact O-N 3.26Å; L725-W728 VanDerWaalsContact O-N 3.1Å; L725-D729 PolarHBondContact O-N 2.93Å; L725-H737 HydrophobicContact CD2-CB 4.35Å; L725-Y749 HydrophobicContact CB-CE2 4.31Å |
| 726 | Q | 95.6 | Very high | 95.1 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 12% | 0.121 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.6 | -39.9 | 175.3 | -176.2 | -172.1 | -81.8 | 0 | 0 | 111.7 | L722 H730 Y749 | L722-Q726 PolarHBondContact O-N 2.66Å; Q726-H730 VanDerWaalsContact CG-CE1 3.5Å; Q726-H730 WeakPolarHBondContact CG-CE1 3.41Å; Q726-H730 PolarHBondContact O-N 3.07Å; Q726-H730 PolarHBondContact O-ND1 3.01Å; Q726-Y749 HydrophobicContact CB-CD1 3.72Å; Q726-Y749 HydrophobicContact CB-CD2 4.38Å; Q726-Y749 HydrophobicContact CB-CE1 3.82Å; Q726-Y749 HydrophobicContact CB-CE2 4.46Å; Q726-Y749 HydrophobicContact CB-CG 4.03Å; Q726-Y749 HydrophobicContact CG-CD1 3.64Å; Q726-Y749 HydrophobicContact CG-CE1 3.99Å; Q726-Y749 HydrophobicContact CG-CG 4.24Å |
| 727 | S | 95.7 | Very high | 94.9 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 176.7 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | R723 S724 L725 D729 H730 H731 | R723-S727 VanDerWaalsContact O-CB 3.24Å; R723-S727 WeakPolarHBondContact O-CB 3.45Å; R723-S727 PolarHBondContact O-N 3.27Å; S724-S727 PolarHBondContact O-N 2.83Å; L725-S727 PolarHBondContact O-N 3.29Å; S727-D729 PolarHBondContact O-N 3.31Å; S727-H730 PolarHBondContact O-N 3.13Å; S727-H731 PolarHBondContact O-N 2.68Å; S727-H731 VanDerWaalsContact O-N 3.13Å; S727-H731 PolarHBondContact O-ND1 3.43Å; S727-H731 PolarHBondContact OG-CE1 3.36Å; S727-H731 PolarHBondContact OG-ND1 3.02Å |
| 728 | W | 95.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -50.5 | 177.2 | 176 | -83.1 | 0 | 0 | 0 | 111.9 | A558 M639 W642 L643 S724 L725 H730 H731 F732 F735 H737 | A558-W728 HydrophobicContact CB-CZ2 3.97Å; M639-W728 HydrophobicContact CB-CH2 4.27Å; M639-W728 HydrophobicContact CG-CH2 4.13Å; M639-W728 HydrophobicContact SD-CH2 4.38Å; W642-W728 HydrophobicContact CD2-CE3 4.01Å; W642-W728 HydrophobicContact CD2-CZ3 4.49Å; W642-W728 AromaticContact CE3-CE3 3.41Å; W642-W728 HydrophobicContact CE3-CE3 3.41Å; W642-W728 VanDerWaalsContact CE3-CE3 3.41Å; W642-W728 AromaticContact CE3-CZ3 3.78Å; W642-W728 HydrophobicContact CE3-CZ3 3.78Å; W642-W728 HydrophobicContact CH2-CB 3.77Å; W642-W728 HydrophobicContact CH2-CE3 4Å; W642-W728 HydrophobicContact CZ2-CB 3.91Å; W642-W728 HydrophobicContact CZ3-CB 4.38Å; W642-W728 HydrophobicContact CZ3-CD2 4.43Å; W642-W728 AromaticContact CZ3-CE3 3.43Å; W642-W728 HydrophobicContact CZ3-CE3 3.43Å; W642-W728 VanDerWaalsContact CZ3-CE3 3.43Å; W642-W728 HydrophobicContact CZ3-CZ3 4.1Å; L643-W728 HydrophobicContact CD2-CE3 4.46Å; L643-W728 HydrophobicContact CD2-CZ3 3.77Å; L643-W728 HydrophobicContact CG-CZ3 4.11Å; S724-W728 PolarHBondContact O-N 3.25Å; L725-W728 WeakPolarHBondContact O-CB 3.34Å; L725-W728 PolarHBondContact O-N 3.26Å; L725-W728 VanDerWaalsContact O-N 3.1Å; W728-H730 PolarHBondContact O-N 3.35Å; W728-H731 PolarHBondContact O-N 3.05Å; W728-F732 AromaticContact CD2-CD2 3.53Å; W728-F732 HydrophobicContact CD2-CD2 3.53Å; W728-F732 HydrophobicContact CD2-CE2 4.09Å; W728-F732 AromaticContact CE2-CD2 3.75Å; W728-F732 AromaticContact CE3-CD2 3.59Å; W728-F732 HydrophobicContact CE3-CD2 3.59Å; W728-F732 AromaticContact CE3-CE2 3.64Å; W728-F732 HydrophobicContact CE3-CE2 3.64Å; W728-F732 HydrophobicContact CG-CD2 4.06Å; W728-F732 HydrophobicContact CH2-CD2 4.13Å; W728-F732 HydrophobicContact CH2-CE2 4.27Å; W728-F732 HydrophobicContact CZ2-CD2 4.06Å; W728-F732 HydrophobicContact CZ2-CG 4.48Å; W728-F732 AromaticContact CZ3-CD2 3.9Å; W728-F732 HydrophobicContact CZ3-CD2 3.9Å; W728-F732 AromaticContact CZ3-CE2 3.74Å; W728-F732 HydrophobicContact CZ3-CE2 3.74Å; W728-F732 PolarHBondContact O-N 3.33Å; W728-F735 HydrophobicContact CZ2-CB 4.48Å; W728-F735 PolarHBondContact NE1-O 3.46Å; W728-H737 AromaticContact CD1-CE1 3.12Å; W728-H737 AromaticContact CD1-ND1 3.34Å; W728-H737 VanDerWaalsContact CD1-ND1 3.34Å; W728-H737 AromaticContact CD2-CE1 3.93Å; W728-H737 AromaticContact CG-CE1 3.34Å; W728-H737 AromaticContact CG-ND1 3.83Å; W728-H737 AromaticContact NE1-CE1 3.55Å |
| 729 | D | 95 | Very high | 94.7 | Very high | 16 Ų | 16 | 38 Ų | 38 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -34.3 | -176.3 | -67 | 3.9 | 0 | 0 | 0 | 112.3 | L725 S727 E736 H737 Y749 | L725-D729 PolarHBondContact O-N 2.93Å; S727-D729 PolarHBondContact O-N 3.31Å; D729-E736 HydrophobicContact CB-CB 4.27Å; D729-E736 HydrophobicContact CB-CG 4.09Å; D729-E736 WeakPolarHBondContact OD1-CA 3.44Å; D729-H737 IonicContact OD1-CG 2.9Å; D729-H737 PolarHBondContact OD1-N 2.8Å; D729-H737 IonicContact OD1-ND1 3.87Å; D729-H737 PolarHBondContact OD1-ND1 3.21Å; D729-Y749 PolarHBondContact OD2-OH 3.29Å |
| 730 | H | 94.1 | Very high | 94.7 | Very high | 103 Ų | 103 | 40.5 Ų | 40.5 | 48% | 0.477 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -72.2 | -37.3 | 173.5 | -72.8 | 125 | 0 | 0 | 0 | 113.7 | Q726 S727 W728 G747 | Q726-H730 VanDerWaalsContact CG-CE1 3.5Å; Q726-H730 WeakPolarHBondContact CG-CE1 3.41Å; Q726-H730 PolarHBondContact O-N 3.07Å; Q726-H730 PolarHBondContact O-ND1 3.01Å; S727-H730 PolarHBondContact O-N 3.13Å; W728-H730 PolarHBondContact O-N 3.35Å; H730-G747 PolarHBondContact CE1-O 3.08Å; H730-G747 WeakPolarHBondContact NE2-CA 3.31Å; H730-G747 PolarHBondContact NE2-O 3.37Å |
| 731 | H | 95.5 | Very high | 94.7 | Very high | 105 Ų | 105 | 39.9 Ų | 39.9 | 49% | 0.486 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -78.5 | -31.1 | -176.4 | -74.8 | 85.8 | 0 | 0 | 0 | 112.3 | W642 S727 W728 P733 | W642-H731 AromaticContact CD1-CD2 3.98Å; W642-H731 AromaticContact CD1-CG 3.83Å; W642-H731 AromaticContact NE1-CE1 3.84Å; W642-H731 AromaticContact NE1-CG 3.62Å; W642-H731 AromaticContact NE1-ND1 3.45Å; W642-H731 PolarHBondContact NE1-ND1 3.01Å; S727-H731 PolarHBondContact O-N 2.68Å; S727-H731 VanDerWaalsContact O-N 3.13Å; S727-H731 PolarHBondContact O-ND1 3.43Å; S727-H731 PolarHBondContact OG-CE1 3.36Å; S727-H731 PolarHBondContact OG-ND1 3.02Å; W728-H731 PolarHBondContact O-N 3.05Å; H731-P733 WeakPolarHBondContact O-CD 3.19Å |
| 732 | F | 96.7 | Very high | 94.7 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -125.1 | 72.3 | -173.5 | -56.5 | -67.9 | 0 | 0 | 0 | 111.7 | T638 M639 W642 W728 G734 F735 | T638-F732 HydrophobicContact CG2-CE1 4.03Å; M639-F732 HydrophobicContact CB-CE1 4.26Å; M639-F732 HydrophobicContact CB-CZ 4.25Å; M639-F732 HydrophobicContact CE-CB 4.33Å; M639-F732 HydrophobicContact CE-CD1 4.01Å; M639-F732 HydrophobicContact CE-CG 4.25Å; M639-F732 HydrophobicContact CG-CD1 3.7Å; M639-F732 HydrophobicContact CG-CE1 3.48Å; M639-F732 VanDerWaalsContact CG-CE1 3.48Å; M639-F732 HydrophobicContact CG-CE2 4.37Å; M639-F732 HydrophobicContact CG-CG 4.25Å; M639-F732 HydrophobicContact CG-CZ 3.86Å; W642-F732 HydrophobicContact CB-CE2 3.79Å; W642-F732 HydrophobicContact CB-CZ 3.67Å; W642-F732 AromaticContact CD1-CE2 3.96Å; W642-F732 AromaticContact CD2-CE2 4Å; W642-F732 HydrophobicContact CD2-CE2 4Å; W642-F732 AromaticContact CG-CE2 3.64Å; W642-F732 HydrophobicContact CG-CE2 3.64Å; W642-F732 AromaticContact CG-CZ 3.98Å; W642-F732 HydrophobicContact CG-CZ 3.98Å; W728-F732 AromaticContact CD2-CD2 3.53Å; W728-F732 HydrophobicContact CD2-CD2 3.53Å; W728-F732 HydrophobicContact CD2-CE2 4.09Å; W728-F732 AromaticContact CE2-CD2 3.75Å; W728-F732 AromaticContact CE3-CD2 3.59Å; W728-F732 HydrophobicContact CE3-CD2 3.59Å; W728-F732 AromaticContact CE3-CE2 3.64Å; W728-F732 HydrophobicContact CE3-CE2 3.64Å; W728-F732 HydrophobicContact CG-CD2 4.06Å; W728-F732 HydrophobicContact CH2-CD2 4.13Å; W728-F732 HydrophobicContact CH2-CE2 4.27Å; W728-F732 HydrophobicContact CZ2-CD2 4.06Å; W728-F732 HydrophobicContact CZ2-CG 4.48Å; W728-F732 AromaticContact CZ3-CD2 3.9Å; W728-F732 HydrophobicContact CZ3-CD2 3.9Å; W728-F732 AromaticContact CZ3-CE2 3.74Å; W728-F732 HydrophobicContact CZ3-CE2 3.74Å; W728-F732 PolarHBondContact O-N 3.33Å; F732-G734 PolarHBondContact O-N 3.38Å; F732-F735 HydrophobicContact CB-CB 4.02Å; F732-F735 HydrophobicContact CB-CD2 4.17Å; F732-F735 HydrophobicContact CB-CG 4.46Å; F732-F735 WeakPolarHBondContact O-CB 3.39Å; F732-F735 PolarHBondContact O-N 2.91Å |
| 733 | P | 95.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 134.8 | 175.3 | 24.4 | -33.7 | 0 | 0 | 0 | 111 | Y623 T626 Y627 H731 E736 | Y623-P733 HydrophobicContact CD1-CB 3.6Å; Y623-P733 HydrophobicContact CD1-CG 4.05Å; Y623-P733 HydrophobicContact CD2-CB 4.09Å; Y623-P733 HydrophobicContact CE1-CB 3.48Å; Y623-P733 VanDerWaalsContact CE1-CB 3.48Å; Y623-P733 HydrophobicContact CE1-CG 4.43Å; Y623-P733 HydrophobicContact CE2-CB 4.01Å; Y623-P733 HydrophobicContact CG-CB 3.88Å; Y623-P733 HydrophobicContact CG-CG 4.08Å; T626-P733 HydrophobicContact CG2-CG 4.35Å; Y627-P733 HydrophobicContact CE2-CG 4.17Å; Y627-P733 VanDerWaalsContact CE2-O 3.24Å; Y627-P733 WeakPolarHBondContact CE2-O 3.13Å; Y627-P733 WeakPolarHBondContact OH-CD 3.39Å; Y627-P733 PolarHBondContact OH-O 2.91Å; H731-P733 WeakPolarHBondContact O-CD 3.19Å; P733-E736 WeakPolarHBondContact CA-OE1 3.28Å |
| 734 | G | 94.1 | Very high | 94.7 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 35% | 0.351 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -0.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F732 E736 | F732-G734 PolarHBondContact O-N 3.38Å; G734-E736 VanDerWaalsContact C-OE2 3.26Å; G734-E736 WeakPolarHBondContact CA-OE2 3.4Å; G734-E736 PolarHBondContact N-OE1 3.12Å; G734-E736 PolarHBondContact N-OE2 3.02Å |
| 735 | F | 95.2 | Very high | 94.8 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | trans | -127.1 | 26.8 | 175.4 | -60 | -92 | 0 | 0 | 0 | 111.9 | L559 A562 M616 L619 L635 M639 W728 F732 | L559-F735 HydrophobicContact CD1-CE1 4.27Å; L559-F735 HydrophobicContact CD1-CZ 4.16Å; A562-F735 HydrophobicContact CB-CD1 4.31Å; A562-F735 HydrophobicContact CB-CE1 3.56Å; A562-F735 HydrophobicContact CB-CZ 4.33Å; M616-F735 HydrophobicContact CE-CZ 4.19Å; L619-F735 HydrophobicContact CD1-CE2 3.96Å; L619-F735 HydrophobicContact CD2-CE2 3.7Å; L619-F735 HydrophobicContact CD2-CZ 3.84Å; L619-F735 HydrophobicContact CG-CE2 4.5Å; L635-F735 HydrophobicContact CD2-CE2 4.11Å; L635-F735 HydrophobicContact CD2-CZ 3.97Å; M639-F735 HydrophobicContact CE-CB 4.32Å; M639-F735 HydrophobicContact CE-CD1 3.65Å; M639-F735 HydrophobicContact CE-CD2 3.43Å; M639-F735 VanDerWaalsContact CE-CD2 3.43Å; M639-F735 HydrophobicContact CE-CE1 3.68Å; M639-F735 HydrophobicContact CE-CE2 3.46Å; M639-F735 VanDerWaalsContact CE-CE2 3.46Å; M639-F735 HydrophobicContact CE-CG 3.52Å; M639-F735 HydrophobicContact CE-CZ 3.59Å; W728-F735 HydrophobicContact CZ2-CB 4.48Å; W728-F735 PolarHBondContact NE1-O 3.46Å; F732-F735 HydrophobicContact CB-CB 4.02Å; F732-F735 HydrophobicContact CB-CD2 4.17Å; F732-F735 HydrophobicContact CB-CG 4.46Å; F732-F735 WeakPolarHBondContact O-CB 3.39Å; F732-F735 PolarHBondContact O-N 2.91Å | ||
| 736 | E | 93.7 | Very high | 94.7 | Very high | 95 Ų | 95 | 56.9 Ų | 56.9 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 146.5 | -176.4 | -57 | 86.2 | 168.5 | 0 | 0 | 112 | D729 P733 G734 | D729-E736 HydrophobicContact CB-CB 4.27Å; D729-E736 HydrophobicContact CB-CG 4.09Å; D729-E736 WeakPolarHBondContact OD1-CA 3.44Å; P733-E736 WeakPolarHBondContact CA-OE1 3.28Å; G734-E736 VanDerWaalsContact C-OE2 3.26Å; G734-E736 WeakPolarHBondContact CA-OE2 3.4Å; G734-E736 PolarHBondContact N-OE1 3.12Å; G734-E736 PolarHBondContact N-OE2 3.02Å |
| 737 | H | 91.6 | Very high | 94.5 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 147.8 | 174.8 | -63.2 | 90.1 | 0 | 0 | 0 | 111.8 | L725 W728 D729 | L725-H737 HydrophobicContact CD2-CB 4.35Å; W728-H737 AromaticContact CD1-CE1 3.12Å; W728-H737 AromaticContact CD1-ND1 3.34Å; W728-H737 VanDerWaalsContact CD1-ND1 3.34Å; W728-H737 AromaticContact CD2-CE1 3.93Å; W728-H737 AromaticContact CG-CE1 3.34Å; W728-H737 AromaticContact CG-ND1 3.83Å; W728-H737 AromaticContact NE1-CE1 3.55Å; D729-H737 IonicContact OD1-CG 2.9Å; D729-H737 PolarHBondContact OD1-N 2.8Å; D729-H737 IonicContact OD1-ND1 3.87Å; D729-H737 PolarHBondContact OD1-ND1 3.21Å |
| 738 | E | 92 | Very high | 94.5 | Very high | 119 Ų | 119 | 58.8 Ų | 58.8 | 56% | 0.556 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 117.4 | 164.6 | -172 | 173.3 | -172.7 | 0 | 0 | 109 | Y698 | Y698-E738 PolarHBondContact N-O 2.78Å |
| 739 | T | 94.1 | Very high | 94.5 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 96 | 175.7 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | V695 I696 P697 L722 T742 | V695-T739 HydrophobicContact CG1-CG2 4.08Å; I696-T739 CarbonylContact O-C 3.23Å; I696-T739 WeakPolarHBondContact O-CA 3.08Å; P697-T739 HydrophobicContact CG-CG2 4.32Å; L722-T739 HydrophobicContact CD2-CG2 4.12Å; T739-T742 HydrophobicContact CG2-CG2 3.57Å; T739-T742 PolarHBondContact O-N 3.1Å; T739-T742 PolarHBondContact O-OG1 2.83Å |
| 740 | E | 94.8 | Very high | 94.6 | Very high | 52 Ų | 52 | 59.2 Ų | 59.2 | 24% | 0.243 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 143.8 | 178.2 | -51.8 | -174.4 | -161.8 | 0 | 0 | 110.5 | K257 I696 T742 | K257-E740 IonicContact NZ-OE1 3.06Å; K257-E740 PolarHBondContact NZ-OE1 3.16Å; K257-E740 IonicContact NZ-OE2 2.69Å; K257-E740 PolarHBondContact NZ-OE2 3.16Å; I696-E740 HydrophobicContact CB-CB 4.09Å; I696-E740 PolarHBondContact N-O 2.88Å; I696-E740 PolarHBondContact O-N 3.43Å; E740-T742 VanDerWaalsContact C-N 3.32Å |
| 741 | G | 94.6 | Very high | 94.8 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -0.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N693 S694 | N693-G741 VanDerWaalsContact ND2-CA 3.34Å; N693-G741 WeakPolarHBondContact ND2-CA 3.41Å; N693-G741 PolarHBondContact ND2-O 2.81Å; S694-G741 WeakPolarHBondContact O-CA 2.92Å |
| 742 | T | 95.7 | Very high | 94.9 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 16% | 0.16 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 151.9 | 172.7 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | V695 T739 E740 Y749 H750 V751 | V695-T742 HydrophobicContact CG1-CG2 4.05Å; T739-T742 HydrophobicContact CG2-CG2 3.57Å; T739-T742 PolarHBondContact O-N 3.1Å; T739-T742 PolarHBondContact O-OG1 2.83Å; E740-T742 VanDerWaalsContact C-N 3.32Å; T742-Y749 HydrophobicContact CG2-CD2 4.24Å; T742-H750 CarbonylContact C-O 3.54Å; T742-H750 VanDerWaalsContact CA-O 3.28Å; T742-H750 WeakPolarHBondContact CA-O 3.44Å; T742-V751 HydrophobicContact CG2-CG2 4.18Å |
| 743 | E | 96 | Very high | 95 | Very high | 94 Ų | 94 | 51.4 Ų | 51.4 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 133.4 | 168 | -68.6 | -174.3 | -168.5 | 0 | 0 | 109.4 | L680 Y749 H750 | L680-E743 VanDerWaalsContact CD1-OE2 3.24Å; L680-E743 WeakPolarHBondContact CD1-OE2 3.3Å; E743-Y749 CarbonylContact O-C 3.59Å; E743-H750 PolarHBondContact N-O 2.95Å; E743-H750 WeakPolarHBondContact O-CB 3.46Å; E743-H750 PolarHBondContact O-N 2.76Å |
| 744 | I | 94.3 | Very high | 95.1 | Very high | 100 Ų | 100 | 51.5 Ų | 51.5 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113 | 177.9 | -54.8 | 176.8 | 0 | 0 | 0 | 108.4 | Y749 | I744-Y749 HydrophobicContact CD1-CD1 4.28Å; I744-Y749 HydrophobicContact CD1-CE1 3.73Å; I744-Y749 HydrophobicContact CG1-CD1 3.89Å; I744-Y749 HydrophobicContact CG1-CE1 3.87Å |
| 745 | I | 95.6 | Very high | 95.2 | Very high | 65 Ų | 65 | 54.1 Ų | 54.1 | 33% | 0.333 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 118 | 178.9 | -56.2 | 174.5 | 0 | 0 | 0 | 107.7 | L680 G747 I748 | L680-I745 HydrophobicContact CD1-CD1 4.41Å; I745-G747 PolarHBondContact O-N 3.22Å; I745-I748 PolarHBondContact N-O 2.89Å; I745-I748 WeakPolarHBondContact O-CB 3.46Å; I745-I748 PolarHBondContact O-N 3.11Å |
| 746 | D | 92.9 | Very high | 95 | Very high | 164 Ų | 164 | 60.1 Ų | 60.1 | 88% | 0.877 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 38.4 | -177.4 | -56.9 | -38.9 | 0 | 0 | 0 | 113.1 | I748 | D746-I748 PolarHBondContact O-N 2.63Š|
| 747 | G | 90.8 | Very high | 95 | Very high | 24 Ų | 24 | 58.4 Ų | 58.4 | 25% | 0.247 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -10.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H730 I745 | H730-G747 PolarHBondContact CE1-O 3.08Å; H730-G747 WeakPolarHBondContact NE2-CA 3.31Å; H730-G747 PolarHBondContact NE2-O 3.37Å; I745-G747 PolarHBondContact O-N 3.22Å |
| 748 | I | 95.7 | Very high | 95.2 | Very high | 71 Ų | 71 | 57.6 Ų | 57.6 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 129.8 | -176.4 | -57.4 | 175.2 | 0 | 0 | 0 | 110.2 | I683 I745 D746 H750 | I683-I748 HydrophobicContact CG2-CG2 4.18Å; I745-I748 PolarHBondContact N-O 2.89Å; I745-I748 WeakPolarHBondContact O-CB 3.46Å; I745-I748 PolarHBondContact O-N 3.11Å; D746-I748 PolarHBondContact O-N 2.63Å; I748-H750 PolarHBondContact O-CE1 3.2Å; I748-H750 PolarHBondContact O-ND1 2.78Å |
| 749 | Y | 96.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 132 | 173 | -81 | 36.3 | 0 | 0 | 0 | 110.2 | S682 I683 L725 Q726 D729 T742 E743 I744 | S682-Y749 CarbonylContact C-O 3.48Å; I683-Y749 PolarHBondContact N-O 3.41Å; L725-Y749 HydrophobicContact CB-CE2 4.31Å; Q726-Y749 HydrophobicContact CB-CD1 3.72Å; Q726-Y749 HydrophobicContact CB-CD2 4.38Å; Q726-Y749 HydrophobicContact CB-CE1 3.82Å; Q726-Y749 HydrophobicContact CB-CE2 4.46Å; Q726-Y749 HydrophobicContact CB-CG 4.03Å; Q726-Y749 HydrophobicContact CG-CD1 3.64Å; Q726-Y749 HydrophobicContact CG-CE1 3.99Å; Q726-Y749 HydrophobicContact CG-CG 4.24Å; D729-Y749 PolarHBondContact OD2-OH 3.29Å; T742-Y749 HydrophobicContact CG2-CD2 4.24Å; E743-Y749 CarbonylContact O-C 3.59Å; I744-Y749 HydrophobicContact CD1-CD1 4.28Å; I744-Y749 HydrophobicContact CD1-CE1 3.73Å; I744-Y749 HydrophobicContact CG1-CD1 3.89Å; I744-Y749 HydrophobicContact CG1-CE1 3.87Å |
| 750 | H | 97.9 | Very high | 95.5 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 143 | 173.5 | -67.6 | 70.6 | 0 | 0 | 0 | 109.5 | L680 V681 S682 T742 E743 I748 | L680-H750 HydrophobicContact CB-CB 4.44Å; V681-H750 CarbonylContact O-C 3.59Å; V681-H750 VanDerWaalsContact O-CA 3.28Å; V681-H750 WeakPolarHBondContact O-CA 3.38Å; S682-H750 VanDerWaalsContact CA-CD2 3.49Å; S682-H750 WeakPolarHBondContact CA-CD2 3.49Å; S682-H750 PolarHBondContact N-CD2 2.78Å; T742-H750 CarbonylContact C-O 3.54Å; T742-H750 VanDerWaalsContact CA-O 3.28Å; T742-H750 WeakPolarHBondContact CA-O 3.44Å; E743-H750 PolarHBondContact N-O 2.95Å; E743-H750 WeakPolarHBondContact O-CB 3.46Å; E743-H750 PolarHBondContact O-N 2.76Å; I748-H750 PolarHBondContact O-CE1 3.2Å; I748-H750 PolarHBondContact O-ND1 2.78Å |
| 751 | V | 97.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140.4 | 174.4 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | V681 L686 V695 F711 T742 C753 | V681-V751 PolarHBondContact N-O 2.81Å; V681-V751 PolarHBondContact O-N 3.19Å; L686-V751 HydrophobicContact CD1-CG2 3.94Å; L686-V751 HydrophobicContact CD2-CB 3.82Å; L686-V751 HydrophobicContact CD2-CG2 4.08Å; V695-V751 HydrophobicContact CG2-CG1 3.69Å; V695-V751 HydrophobicContact CG2-CG2 4.32Å; F711-V751 HydrophobicContact CE2-CG1 4.22Å; F711-V751 HydrophobicContact CZ-CB 4.2Å; F711-V751 HydrophobicContact CZ-CG1 3.94Å; F711-V751 HydrophobicContact CZ-CG2 4.13Å; T742-V751 HydrophobicContact CG2-CG2 4.18Å; V751-C753 PolarHBondContact O-N 2.97Å |
| 752 | M | 98 | Very high | 95.6 | Very high | 50 Ų | 50 | 59.1 Ų | 59.1 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 115.7 | 173.5 | -167.9 | -179.7 | -64.4 | 0 | 0 | 109.7 | I673 V678 L680 A692 N693 | I673-M752 HydrophobicContact CD1-SD 4.29Å; I673-M752 HydrophobicContact CG1-SD 4.06Å; I673-M752 HydrophobicContact CG2-SD 4.45Å; V678-M752 HydrophobicContact CB-CG 3.84Å; V678-M752 HydrophobicContact CB-SD 4.22Å; V678-M752 HydrophobicContact CG1-CG 4.34Å; V678-M752 HydrophobicContact CG2-CG 4.06Å; V678-M752 HydrophobicContact CG2-SD 3.87Å; L680-M752 HydrophobicContact CD2-CB 4.19Å; A692-M752 HydrophobicContact CB-CB 4.41Å; A692-M752 HydrophobicContact CB-CG 3.96Å; A692-M752 WeakPolarHBondContact CB-O 3.42Å; A692-M752 HydrophobicContact CB-SD 4.44Å; A692-M752 PolarHBondContact N-O 3.37Å; N693-M752 PolarHBondContact OD1-O 2.76Å |
| 753 | C | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 153.4 | 179.1 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | V678 E679 V681 R689 I690 V751 K755 | V678-C753 CarbonylContact C-O 3.6Å; V678-C753 WeakPolarHBondContact CA-O 3.3Å; V678-C753 WeakPolarHBondContact CB-O 3.41Å; E679-C753 PolarHBondContact N-O 3.37Å; E679-C753 PolarHBondContact O-N 3.01Å; V681-C753 HydrophobicContact CB-CB 4.45Å; V681-C753 HydrophobicContact CG2-CB 3.66Å; R689-C753 HydrophobicContact CB-CB 4.14Å; I690-C753 CarbonylContact O-C 3.17Å; I690-C753 WeakPolarHBondContact O-CA 3.22Å; I690-C753 WeakPolarHBondContact O-CB 3.22Å; V751-C753 PolarHBondContact O-N 2.97Å; C753-K755 PolarHBondContact O-N 3.21Å |
| 754 | V | 98 | Very high | 95.5 | Very high | 23 Ų | 23 | 59 Ų | 59 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 134.4 | 165.5 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | A672 R689 I690 A692 A756 | A672-V754 HydrophobicContact CB-CG1 4.09Å; A672-V754 HydrophobicContact CB-CG2 4.03Å; R689-V754 PolarHBondContact NH2-O 2.94Å; I690-V754 HydrophobicContact CB-CB 4.31Å; I690-V754 HydrophobicContact CB-CG2 4.37Å; I690-V754 HydrophobicContact CG2-CG2 4.08Å; I690-V754 PolarHBondContact O-N 2.84Å; A692-V754 HydrophobicContact CB-CG2 4.27Å; V754-A756 PolarHBondContact O-N 3.32Å |
| 755 | K | 96.8 | Very high | 95.6 | Very high | 89 Ų | 89 | 55.6 Ų | 55.6 | 39% | 0.387 | 33% | 0.33 | S | S | . | . | trans | -55.9 | 136.6 | 177.1 | -75 | 174.7 | 177.8 | 152.9 | 0 | 110 | N676 N677 V678 E679 C753 | N676-K755 PolarHBondContact O-NZ 2.96Å; N677-K755 PolarHBondContact O-N 3.27Å; V678-K755 WeakPolarHBondContact O-CE 2.85Å; E679-K755 HydrophobicContact CB-CG 4.31Å; E679-K755 HydrophobicContact CG-CG 4.17Å; C753-K755 PolarHBondContact O-N 3.21Å | ||
| 756 | A | 89 | Confident | 95.6 | Very high | 144 Ų | 144 | 54.7 Ų | 54.7 | 100% | 1.19 | 33% | 0.329 | S | S | * | . | trans | -69 | 0 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V754 | V754-A756 PolarHBondContact O-N 3.32Š|
Retrieved 756 of 756 residues in 372.1 ms
(Link to these results)