| 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 | Q | 74.4 | Confident | 79.9 | Confident | 157 Ų | 157 | 85.5 Ų | 85.5 | 73% | 0.734 | 48% | 0.48 | S | S | * | . | 0 | 129.8 | 0 | -169.1 | 169 | 21.4 | 0 | 0 | 108.8 | T32 G33 D34 | Q1-T32 PolarHBondContact NE2-O 3.17Å; Q1-G33 WeakPolarHBondContact CA-O 3.31Å; Q1-D34 WeakPolarHBondContact CB-OD1 3.21Å; Q1-D34 VanDerWaalsContact CD-OD1 3.3Å; Q1-D34 WeakPolarHBondContact CG-OD1 3.47Å | |||
| 2 | L | 81.2 | Confident | 80.2 | Confident | 49 Ų | 49 | 87.4 Ų | 87.4 | 26% | 0.257 | 48% | 0.48 | S | S | . | . | trans | -107.8 | 131.5 | 170.4 | -71.2 | 170.3 | 0 | 0 | 0 | 107.9 | G33 I35 A53 F70 | L2-G33 PolarHBondContact N-O 2.88Å; L2-G33 WeakPolarHBondContact O-CA 3.4Å; L2-I35 HydrophobicContact CD1-CD1 3.87Å; L2-I35 HydrophobicContact CG-CD1 4.34Å; L2-A53 HydrophobicContact CD1-CB 3.27Å; L2-F70 HydrophobicContact CD1-CD1 4.11Å; L2-F70 HydrophobicContact CD1-CE1 3.58Å; L2-F70 HydrophobicContact CD1-CZ 4.05Å | ||
| 3 | H | 84.1 | Confident | 80.6 | Confident | 127 Ų | 127 | 81.4 Ų | 81.4 | 59% | 0.588 | 45% | 0.447 | S | S | * | . | trans | -136.6 | 135 | -177.2 | -173.8 | 61.5 | 0 | 0 | 0 | 109.5 | D7 Y15 | H3-D7 IonicContact CE1-OD2 3.88Å; H3-Y15 PolarHBondContact ND1-OH 3.25Å | ||
| 4 | S | 82.8 | Confident | 81.2 | Confident | 8 Ų | 8 | 78.5 Ų | 78.5 | 6% | 0.056 | 43% | 0.428 | C | S | . | . | trans | -93.9 | 136.7 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 109.3 | V6 D7 Y15 E65 | S4-V6 PolarHBondContact O-N 2.61Å; S4-V6 WeakPolarHBondContact OG-CB 3.27Å; S4-V6 PolarHBondContact OG-N 2.76Å; S4-D7 WeakPolarHBondContact O-CB 3.39Å; S4-D7 PolarHBondContact O-N 3.43Å; S4-D7 VanDerWaalsContact O-N 3.09Å; S4-Y15 PolarHBondContact N-OH 3.01Å; S4-Y15 VanDerWaalsContact N-OH 3.11Å; S4-E65 WeakPolarHBondContact OG-CG 3.3Å | ||
| 5 | D | 82.8 | Confident | 81.8 | Confident | 138 Ų | 138 | 73.8 Ų | 73.8 | 74% | 0.738 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -14.1 | 173 | 61 | -26 | 0 | 0 | 0 | 113.5 | D7 | D5-D7 VanDerWaalsContact C-N 3.35Š|
| 6 | V | 81.5 | Confident | 82.3 | Confident | 67 Ų | 67 | 72.7 Ų | 72.7 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -22.3 | 171.5 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | S4 K8 V64 E65 | S4-V6 PolarHBondContact O-N 2.61Å; S4-V6 WeakPolarHBondContact OG-CB 3.27Å; S4-V6 PolarHBondContact OG-N 2.76Å; V6-K8 PolarHBondContact O-N 3.16Å; V6-V64 HydrophobicContact CG1-CB 4.42Å; V6-E65 WeakPolarHBondContact CG2-OE1 3.44Å |
| 7 | D | 80.9 | Confident | 82.8 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 8% | 0.08 | 38% | 0.378 | C | S | . | . | trans | -81.6 | 102.2 | 179 | -176.1 | 9.7 | 0 | 0 | 0 | 111.2 | H3 S4 D5 G9 V13 Y15 | H3-D7 IonicContact CE1-OD2 3.88Å; S4-D7 WeakPolarHBondContact O-CB 3.39Å; S4-D7 PolarHBondContact O-N 3.43Å; S4-D7 VanDerWaalsContact O-N 3.09Å; D5-D7 VanDerWaalsContact C-N 3.35Å; D7-G9 PolarHBondContact O-N 3.34Å; D7-G9 PolarHBondContact OD1-N 3.35Å; D7-V13 HydrophobicContact CB-CB 3.96Å; D7-V13 HydrophobicContact CB-CG1 4.31Å; D7-V13 HydrophobicContact CB-CG2 3.93Å; D7-Y15 VanDerWaalsContact CB-OH 3.26Å; D7-Y15 WeakPolarHBondContact CB-OH 3.3Å; D7-Y15 WeakPolarHBondContact OD2-CE2 3.16Å; D7-Y15 PolarHBondContact OD2-OH 2.76Å | ||
| 8 | K | 80.5 | Confident | 83.2 | Confident | 182 Ų | 182 | 67.7 Ų | 67.7 | 79% | 0.791 | 37% | 0.374 | S | S | * | . | trans | -84.9 | 9 | 179.3 | -63.8 | -178.2 | -179.2 | 177.4 | 0 | 113.3 | V6 D10 | V6-K8 PolarHBondContact O-N 3.16Å; K8-D10 PolarHBondContact O-N 2.7Å | ||
| 9 | G | 73.8 | Confident | 83.5 | Confident | 68 Ų | 68 | 66.7 Ų | 66.7 | 70% | 0.701 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 71.9 | 16.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D7 G11 | D7-G9 PolarHBondContact O-N 3.34Å; D7-G9 PolarHBondContact OD1-N 3.35Å; G9-G11 VanDerWaalsContact C-N 3.26Å |
| 10 | D | 79.6 | Confident | 83.5 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 43% | 0.428 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -87.5 | 7 | 177.4 | 69.4 | -13.1 | 0 | 0 | 0 | 113 | K8 K12 | K8-D10 PolarHBondContact O-N 2.7Å; D10-K12 VanDerWaalsContact C-N 3.31Å; D10-K12 PolarHBondContact O-N 3.47Å; D10-K12 PolarHBondContact OD1-N 3.47Å; D10-K12 VanDerWaalsContact OD2-CD 3.25Å; D10-K12 WeakPolarHBondContact OD2-CD 3.44Å; D10-K12 WeakPolarHBondContact OD2-CE 3.42Å; D10-K12 IonicContact OD2-NZ 2.72Å; D10-K12 PolarHBondContact OD2-NZ 3.08Å |
| 11 | G | 77.8 | Confident | 83.4 | Confident | 49 Ų | 49 | 66.4 Ų | 66.4 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 71.5 | 20.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G9 R58 | G9-G11 VanDerWaalsContact C-N 3.26Å; G11-R58 WeakPolarHBondContact O-CD 3.37Å |
| 12 | K | 83 | Confident | 83.9 | Confident | 109 Ų | 109 | 59.5 Ų | 59.5 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | trans | -89.7 | -23.9 | 177.4 | -69.6 | -175.7 | -172.8 | 136.6 | 0 | 114.3 | D10 R58 | D10-K12 VanDerWaalsContact C-N 3.31Å; D10-K12 PolarHBondContact O-N 3.47Å; D10-K12 PolarHBondContact OD1-N 3.47Å; D10-K12 VanDerWaalsContact OD2-CD 3.25Å; D10-K12 WeakPolarHBondContact OD2-CD 3.44Å; D10-K12 WeakPolarHBondContact OD2-CE 3.42Å; D10-K12 IonicContact OD2-NZ 2.72Å; D10-K12 PolarHBondContact OD2-NZ 3.08Å; K12-R58 WeakPolarHBondContact O-CB 3.49Å; K12-R58 PolarHBondContact O-N 2.8Å | ||
| 13 | V | 85.9 | Confident | 83.9 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 6% | 0.055 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 143 | 178.3 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | D7 A55 R58 V64 | D7-V13 HydrophobicContact CB-CB 3.96Å; D7-V13 HydrophobicContact CB-CG1 4.31Å; D7-V13 HydrophobicContact CB-CG2 3.93Å; V13-A55 HydrophobicContact CG1-CB 3.74Å; V13-R58 PolarHBondContact O-NE 2.86Å; V13-V64 HydrophobicContact CG1-CG2 4.27Å; V13-V64 HydrophobicContact CG2-CG2 4.41Å |
| 14 | K | 88.4 | Confident | 84 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 18% | 0.178 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.7 | 162.7 | 60.7 | 173.2 | 163.4 | 158.1 | 0 | 111 | E30 I56 R58 N61 | K14-E30 VanDerWaalsContact CA-O 3.25Å; K14-E30 WeakPolarHBondContact CA-O 3.15Å; K14-E30 HydrophobicContact CB-CB 4.26Å; K14-I56 HydrophobicContact CD-CD1 3.99Å; K14-I56 HydrophobicContact CD-CG1 4.02Å; K14-I56 HydrophobicContact CG-CD1 3.95Å; K14-I56 HydrophobicContact CG-CG1 3.4Å; K14-I56 PolarHBondContact N-O 3Å; K14-I56 PolarHBondContact O-N 3.41Å; K14-R58 HydrophobicContact CB-CG 3.72Å; K14-R58 HydrophobicContact CD-CG 4.02Å; K14-R58 HydrophobicContact CG-CG 3.72Å; K14-N61 WeakPolarHBondContact CE-OD1 3.43Å; K14-N61 PolarHBondContact NZ-OD1 2.86Å |
| 15 | Y | 89.9 | Confident | 84.3 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.9 | 177.2 | -59.6 | -83.7 | 0 | 0 | 0 | 110.1 | H3 S4 D7 I28 E30 A55 | H3-Y15 PolarHBondContact ND1-OH 3.25Å; S4-Y15 PolarHBondContact N-OH 3.01Å; S4-Y15 VanDerWaalsContact N-OH 3.11Å; D7-Y15 VanDerWaalsContact CB-OH 3.26Å; D7-Y15 WeakPolarHBondContact CB-OH 3.3Å; D7-Y15 WeakPolarHBondContact OD2-CE2 3.16Å; D7-Y15 PolarHBondContact OD2-OH 2.76Å; Y15-I28 WeakPolarHBondContact O-CG2 3.09Å; Y15-E30 PolarHBondContact N-O 2.86Å; Y15-A55 HydrophobicContact CD1-CB 4.2Å; Y15-A55 HydrophobicContact CE1-CB 4.12Å |
| 16 | V | 89.9 | Confident | 84.7 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 34% | 0.339 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | A53 Q54 I56 | V16-A53 WeakPolarHBondContact O-CA 3.02Å; V16-Q54 PolarHBondContact N-O 3.08Å; V16-Q54 PolarHBondContact O-N 3.11Å; V16-I56 HydrophobicContact CG2-CD1 3.49Å; V16-I56 VanDerWaalsContact CG2-CD1 3.49Å; V16-I56 HydrophobicContact CG2-CG1 3.96Å |
| 17 | L | 91.8 | Very high | 85.2 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.6 | 179.2 | -170.8 | 68.9 | 0 | 0 | 0 | 110 | A22 F26 I28 L51 A53 F70 | L17-A22 HydrophobicContact CD2-CB 4.43Å; L17-A22 HydrophobicContact CG-CB 4.12Å; L17-F26 HydrophobicContact CD2-CB 3.84Å; L17-I28 HydrophobicContact CB-CB 3.98Å; L17-I28 HydrophobicContact CB-CG2 3.56Å; L17-L51 HydrophobicContact CD1-CB 4.06Å; L17-L51 HydrophobicContact CD1-CD1 4.34Å; L17-L51 HydrophobicContact CD1-CD2 4.47Å; L17-L51 HydrophobicContact CD2-CD1 4.26Å; L17-L51 HydrophobicContact CD2-CD2 4.48Å; L17-L51 HydrophobicContact CG-CD2 4.36Å; L17-A53 HydrophobicContact CD1-CB 4.3Å; L17-F70 HydrophobicContact CD1-CE1 4.12Å; L17-F70 HydrophobicContact CD1-CZ 3.73Å |
| 18 | S | 89.3 | Confident | 85.7 | Confident | 43 Ų | 43 | 54 Ų | 54 | 30% | 0.301 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 163.2 | 178.4 | 59.3 | 0 | 0 | 0 | 0 | 110 | Q52 | S18-Q52 PolarHBondContact N-O 2.64Å; S18-Q52 PolarHBondContact O-N 3.42Å; S18-Q52 VanDerWaalsContact O-O 3.14Å; S18-Q52 PolarHBondContact OG-O 3.23Å; S18-Q52 VanDerWaalsContact OG-O 3.09Å |
| 19 | G | 87.9 | Confident | 86.1 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 52% | 0.515 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 113.6 | -162 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G21 A22 | G19-G21 PolarHBondContact O-N 3.07Å; G19-A22 PolarHBondContact O-N 2.96Å |
| 20 | E | 84 | Confident | 86.8 | Confident | 108 Ų | 108 | 49.8 Ų | 49.8 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 118 | -173.3 | -66.5 | -177.4 | 170.7 | 0 | 0 | 111.7 | A22 T50 L51 | E20-A22 VanDerWaalsContact C-N 3.26Å; E20-A22 PolarHBondContact O-N 3.07Å; E20-T50 PolarHBondContact N-O 3.15Å; E20-L51 WeakPolarHBondContact O-CD2 3.28Å |
| 21 | G | 81.8 | Confident | 87.1 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 3.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | G19 S24 I25 F26 | G19-G21 PolarHBondContact O-N 3.07Å; G21-S24 PolarHBondContact O-N 3.22Å; G21-S24 PolarHBondContact O-OG 2.54Å; G21-I25 PolarHBondContact O-N 3.19Å; G21-F26 PolarHBondContact O-N 3.07Å |
| 22 | A | 85.3 | Confident | 87.4 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -61.8 | 137.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L17 G19 E20 S24 L51 | L17-A22 HydrophobicContact CD2-CB 4.43Å; L17-A22 HydrophobicContact CG-CB 4.12Å; G19-A22 PolarHBondContact O-N 2.96Å; E20-A22 VanDerWaalsContact C-N 3.26Å; E20-A22 PolarHBondContact O-N 3.07Å; A22-S24 PolarHBondContact O-N 3.44Å; A22-L51 HydrophobicContact CB-CD2 3.97Å |
| 23 | T | 80.8 | Confident | 87.5 | Confident | 120 Ų | 120 | 45.7 Ų | 45.7 | 74% | 0.736 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | -18.4 | -174.7 | 71.1 | 0 | 0 | 0 | 0 | 116.6 | F26 | T23-F26 PolarHBondContact N-O 2.65Š|
| 24 | S | 85.8 | Confident | 87.7 | Confident | 57 Ų | 57 | 47.6 Ų | 47.6 | 40% | 0.399 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -32.5 | -178.6 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | G21 A22 T38 K39 | G21-S24 PolarHBondContact O-N 3.22Å; G21-S24 PolarHBondContact O-OG 2.54Å; A22-S24 PolarHBondContact O-N 3.44Å; S24-T38 PolarHBondContact O-OG1 2.95Å; S24-K39 VanDerWaalsContact O-CE 3.25Å; S24-K39 WeakPolarHBondContact O-CE 3.45Å |
| 25 | I | 88.7 | Confident | 87.7 | Confident | 33 Ų | 33 | 48 Ų | 48 | 17% | 0.169 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -41 | 179.9 | -58.2 | 175.3 | 0 | 0 | 0 | 110.2 | G21 A37 T38 L41 Y49 | G21-I25 PolarHBondContact O-N 3.19Å; I25-A37 CarbonylContact O-C 3.57Å; I25-A37 WeakPolarHBondContact O-CA 3.35Å; I25-T38 PolarHBondContact O-N 3.35Å; I25-T38 PolarHBondContact O-OG1 2.84Å; I25-L41 HydrophobicContact CG2-CD2 3.39Å; I25-Y49 HydrophobicContact CD1-CE1 3.83Å |
| 26 | F | 91.6 | Very high | 87.7 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.6 | 177.8 | -58.5 | -79.9 | 0 | 0 | 0 | 110.8 | L17 G21 T23 I35 H36 A37 L41 Y49 L51 V72 | L17-F26 HydrophobicContact CD2-CB 3.84Å; G21-F26 PolarHBondContact O-N 3.07Å; T23-F26 PolarHBondContact N-O 2.65Å; F26-I35 HydrophobicContact CB-CG2 4.26Å; F26-I35 HydrophobicContact CD1-CG2 4.33Å; F26-H36 WeakPolarHBondContact CA-O 3.38Å; F26-A37 HydrophobicContact CD1-CB 4.29Å; F26-A37 HydrophobicContact CE1-CB 4.22Å; F26-L41 HydrophobicContact CE1-CD1 3.98Å; F26-L41 HydrophobicContact CE1-CD2 4.13Å; F26-L41 HydrophobicContact CE2-CD2 4.36Å; F26-L41 HydrophobicContact CZ-CD1 3.95Å; F26-L41 HydrophobicContact CZ-CD2 3.67Å; F26-L41 HydrophobicContact CZ-CG 4.49Å; F26-Y49 AromaticContact CE2-CD1 3.91Å; F26-Y49 HydrophobicContact CE2-CD1 3.91Å; F26-Y49 AromaticContact CE2-CD2 3.62Å; F26-Y49 HydrophobicContact CE2-CD2 3.62Å; F26-Y49 HydrophobicContact CE2-CE1 4.29Å; F26-Y49 HydrophobicContact CE2-CE2 4.02Å; F26-Y49 AromaticContact CE2-CG 3.55Å; F26-Y49 HydrophobicContact CE2-CG 3.55Å; F26-Y49 AromaticContact CZ-CD2 3.83Å; F26-Y49 HydrophobicContact CZ-CD2 3.83Å; F26-Y49 HydrophobicContact CZ-CE2 4.14Å; F26-Y49 HydrophobicContact CZ-CG 4.21Å; F26-L51 HydrophobicContact CB-CD1 4.04Å; F26-L51 HydrophobicContact CD2-CD1 3.84Å; F26-L51 HydrophobicContact CG-CD1 3.93Å; F26-V72 HydrophobicContact CE1-CG1 4.08Å; F26-V72 HydrophobicContact CZ-CB 4.46Å; F26-V72 HydrophobicContact CZ-CG1 3.99Å |
| 27 | T | 91.8 | Very high | 87.7 | Confident | 49 Ų | 49 | 52.3 Ų | 52.3 | 30% | 0.301 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.5 | 174.5 | 51 | 0 | 0 | 0 | 0 | 109.4 | I35 H36 T38 | T27-I35 CarbonylContact O-C 3.52Å; T27-I35 WeakPolarHBondContact O-CA 3.27Å; T27-H36 PolarHBondContact N-O 3.35Å; T27-H36 PolarHBondContact O-N 2.77Å; T27-H36 PolarHBondContact OG1-O 2.91Å; T27-T38 HydrophobicContact CG2-CG2 3.54Å; T27-T38 WeakPolarHBondContact OG1-CG2 3.36Å |
| 28 | I | 91.2 | Very high | 87.5 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134.9 | 173 | -167.4 | 160.9 | 0 | 0 | 0 | 109.1 | Y15 L17 E30 D34 I35 | Y15-I28 WeakPolarHBondContact O-CG2 3.09Å; L17-I28 HydrophobicContact CB-CB 3.98Å; L17-I28 HydrophobicContact CB-CG2 3.56Å; I28-E30 PolarHBondContact O-N 3Å; I28-D34 CarbonylContact C-O 3.5Å; I28-D34 VanDerWaalsContact CA-O 3.3Å; I28-D34 WeakPolarHBondContact CA-O 3.29Å; I28-I35 HydrophobicContact CB-CG1 4.32Å; I28-I35 HydrophobicContact CD1-CG1 4Å; I28-I35 HydrophobicContact CG1-CG1 4.05Å |
| 29 | D | 89.9 | Confident | 87.5 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 32% | 0.316 | 34% | 0.342 | S | S | . | . | trans | -68.2 | 118.1 | 168.8 | -172.9 | -54.7 | 0 | 0 | 0 | 108.4 | N31 T32 G33 D34 | D29-N31 PolarHBondContact O-N 2.8Å; D29-N31 VanDerWaalsContact O-N 3.13Å; D29-N31 WeakPolarHBondContact OD1-CA 3.47Å; D29-N31 WeakPolarHBondContact OD1-CB 3.08Å; D29-N31 PolarHBondContact OD1-N 2.91Å; D29-T32 WeakPolarHBondContact CB-OG1 3.38Å; D29-T32 PolarHBondContact OD1-N 3.45Å; D29-G33 WeakPolarHBondContact O-CA 3.39Å; D29-G33 PolarHBondContact O-N 2.95Å; D29-D34 PolarHBondContact N-O 2.6Å | ||
| 30 | E | 88.1 | Confident | 87.5 | Confident | 101 Ų | 101 | 69 Ų | 69 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.4 | -175.9 | -62.4 | -171.1 | 168.1 | 0 | 0 | 113.4 | K14 Y15 I28 R58 | K14-E30 VanDerWaalsContact CA-O 3.25Å; K14-E30 WeakPolarHBondContact CA-O 3.15Å; K14-E30 HydrophobicContact CB-CB 4.26Å; Y15-E30 PolarHBondContact N-O 2.86Å; I28-E30 PolarHBondContact O-N 3Å; E30-R58 PolarHBondContact O-NH2 2.98Å; E30-R58 VanDerWaalsContact O-NH2 3.07Å |
| 31 | N | 85.4 | Confident | 87.8 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 54% | 0.535 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -39.6 | 179.7 | -49.5 | -64.7 | 0 | 0 | 0 | 112.6 | D29 R58 | D29-N31 PolarHBondContact O-N 2.8Å; D29-N31 VanDerWaalsContact O-N 3.13Å; D29-N31 WeakPolarHBondContact OD1-CA 3.47Å; D29-N31 WeakPolarHBondContact OD1-CB 3.08Å; D29-N31 PolarHBondContact OD1-N 2.91Å; N31-R58 PolarHBondContact OD1-NH2 2.91Å |
| 32 | T | 85.1 | Confident | 88.2 | Confident | 52 Ų | 52 | 69.8 Ų | 69.8 | 32% | 0.319 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -18.6 | -174.4 | 74 | 0 | 0 | 0 | 0 | 113.9 | Q1 D29 D34 | Q1-T32 PolarHBondContact NE2-O 3.17Å; D29-T32 WeakPolarHBondContact CB-OG1 3.38Å; D29-T32 PolarHBondContact OD1-N 3.45Å; T32-D34 WeakPolarHBondContact CB-OD2 3.42Å; T32-D34 PolarHBondContact O-N 2.81Å; T32-D34 WeakPolarHBondContact OG1-CB 2.98Å; T32-D34 VanDerWaalsContact OG1-CG 3.31Å; T32-D34 PolarHBondContact OG1-N 3.49Å; T32-D34 PolarHBondContact OG1-OD2 2.86Å |
| 33 | G | 85.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | trans | 71.2 | 15.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1 L2 D29 | Q1-G33 WeakPolarHBondContact CA-O 3.31Å; L2-G33 PolarHBondContact N-O 2.88Å; L2-G33 WeakPolarHBondContact O-CA 3.4Å; D29-G33 WeakPolarHBondContact O-CA 3.39Å; D29-G33 PolarHBondContact O-N 2.95Å | ||
| 34 | D | 89.1 | Confident | 88.9 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 26% | 0.262 | 35% | 0.345 | S | S | . | . | trans | -76.4 | 133.7 | 173.8 | -70.3 | -43 | 0 | 0 | 0 | 111.2 | Q1 I28 D29 T32 | Q1-D34 WeakPolarHBondContact CB-OD1 3.21Å; Q1-D34 VanDerWaalsContact CD-OD1 3.3Å; Q1-D34 WeakPolarHBondContact CG-OD1 3.47Å; I28-D34 CarbonylContact C-O 3.5Å; I28-D34 VanDerWaalsContact CA-O 3.3Å; I28-D34 WeakPolarHBondContact CA-O 3.29Å; D29-D34 PolarHBondContact N-O 2.6Å; T32-D34 WeakPolarHBondContact CB-OD2 3.42Å; T32-D34 PolarHBondContact O-N 2.81Å; T32-D34 WeakPolarHBondContact OG1-CB 2.98Å; T32-D34 VanDerWaalsContact OG1-CG 3.31Å; T32-D34 PolarHBondContact OG1-N 3.49Å; T32-D34 PolarHBondContact OG1-OD2 2.86Å | ||
| 35 | I | 89.4 | Confident | 89.1 | Confident | 49 Ų | 49 | 69.2 Ų | 69.2 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.1 | 178.3 | -60.4 | 165.2 | 0 | 0 | 0 | 107.8 | L2 F26 T27 I28 F70 | L2-I35 HydrophobicContact CD1-CD1 3.87Å; L2-I35 HydrophobicContact CG-CD1 4.34Å; F26-I35 HydrophobicContact CB-CG2 4.26Å; F26-I35 HydrophobicContact CD1-CG2 4.33Å; T27-I35 CarbonylContact O-C 3.52Å; T27-I35 WeakPolarHBondContact O-CA 3.27Å; I28-I35 HydrophobicContact CB-CG1 4.32Å; I28-I35 HydrophobicContact CD1-CG1 4Å; I28-I35 HydrophobicContact CG1-CG1 4.05Å; I35-F70 HydrophobicContact CD1-CE1 4.33Å; I35-F70 HydrophobicContact CD1-CE2 3.76Å; I35-F70 HydrophobicContact CD1-CZ 3.41Å; I35-F70 VanDerWaalsContact CD1-CZ 3.41Å |
| 36 | H | 89.2 | Confident | 89.1 | Confident | 100 Ų | 100 | 71 Ų | 71 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137.6 | 177.6 | -61 | -76 | 0 | 0 | 0 | 110.1 | F26 T27 | F26-H36 WeakPolarHBondContact CA-O 3.38Å; T27-H36 PolarHBondContact N-O 3.35Å; T27-H36 PolarHBondContact O-N 2.77Å; T27-H36 PolarHBondContact OG1-O 2.91Å |
| 37 | A | 90.1 | Very high | 89 | Confident | 55 Ų | 55 | 71.8 Ų | 71.8 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 124.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109 | I25 F26 L41 | I25-A37 CarbonylContact O-C 3.57Å; I25-A37 WeakPolarHBondContact O-CA 3.35Å; F26-A37 HydrophobicContact CD1-CB 4.29Å; F26-A37 HydrophobicContact CE1-CB 4.22Å; A37-L41 HydrophobicContact CB-CD1 4.41Å; A37-L41 HydrophobicContact CB-CG 4.49Å |
| 38 | T | 87.9 | Confident | 89 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 48% | 0.479 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -90.3 | -13.1 | 179.5 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | S24 I25 T27 | S24-T38 PolarHBondContact O-OG1 2.95Å; I25-T38 PolarHBondContact O-N 3.35Å; I25-T38 PolarHBondContact O-OG1 2.84Å; T27-T38 HydrophobicContact CG2-CG2 3.54Å; T27-T38 WeakPolarHBondContact OG1-CG2 3.36Å |
| 39 | K | 88.3 | Confident | 89 | Confident | 130 Ų | 130 | 74.7 Ų | 74.7 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -128.3 | 161.5 | 177.9 | -65 | -177 | -178.6 | 175.9 | 0 | 110.5 | S24 | S24-K39 VanDerWaalsContact O-CE 3.25Å; S24-K39 WeakPolarHBondContact O-CE 3.45Å |
| 40 | R | 88.5 | Confident | 89.1 | Confident | 247 Ų | 247 | 74.2 Ų | 74.2 | 93% | 0.932 | 38% | 0.377 | S | S | * | . | trans | -64.1 | 134.8 | 166.1 | -67.1 | -173.5 | 177.3 | -167.8 | -1.5 | 108.6 | ||||
| 41 | L | 90.8 | Very high | 89.3 | Confident | 64 Ų | 64 | 69.4 Ų | 69.4 | 34% | 0.335 | 36% | 0.355 | S | S | . | . | trans | -92.7 | 138.5 | 176.6 | -56.8 | 176.4 | 0 | 0 | 0 | 108.2 | I25 F26 A37 Y49 V74 | I25-L41 HydrophobicContact CG2-CD2 3.39Å; F26-L41 HydrophobicContact CE1-CD1 3.98Å; F26-L41 HydrophobicContact CE1-CD2 4.13Å; F26-L41 HydrophobicContact CE2-CD2 4.36Å; F26-L41 HydrophobicContact CZ-CD1 3.95Å; F26-L41 HydrophobicContact CZ-CD2 3.67Å; F26-L41 HydrophobicContact CZ-CG 4.49Å; A37-L41 HydrophobicContact CB-CD1 4.41Å; A37-L41 HydrophobicContact CB-CG 4.49Å; L41-Y49 HydrophobicContact CD2-CE2 4.48Å; L41-V74 HydrophobicContact CB-CG1 4.15Å; L41-V74 HydrophobicContact CB-CG2 4.5Å; L41-V74 HydrophobicContact CD1-CG2 4.31Å | ||
| 42 | D | 90 | Very high | 89.6 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 43% | 0.428 | 34% | 0.341 | S | S | . | . | trans | -125 | 115.6 | 178.2 | 172.2 | -12.5 | 0 | 0 | 0 | 105.9 | E44 A45 Q46 | D42-E44 WeakPolarHBondContact OD1-CB 3.43Å; D42-E44 PolarHBondContact OD1-N 3.01Å; D42-A45 HydrophobicContact CB-CB 4.03Å; D42-A45 PolarHBondContact OD1-N 3.14Å; D42-A45 VanDerWaalsContact OD1-N 3.07Å; D42-Q46 PolarHBondContact O-N 2.82Å; D42-Q46 VanDerWaalsContact O-N 3.1Å | ||
| 43 | R | 90.8 | Very high | 89.8 | Confident | 41 Ų | 41 | 65.2 Ų | 65.2 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -37.3 | -172.7 | -172.9 | -149.4 | 66.2 | 100.9 | 5.7 | 110.2 | A45 Q46 A47 V74 D76 A111 D112 D113 | R43-A45 PolarHBondContact O-N 2.76Å; R43-Q46 CarbonylContact O-C 3.59Å; R43-Q46 VanDerWaalsContact O-C 3.23Å; R43-Q46 PolarHBondContact O-N 3.4Å; R43-Q46 VanDerWaalsContact O-N 3.15Å; R43-A47 HydrophobicContact CG-CB 3.84Å; R43-A47 PolarHBondContact O-N 2.59Å; R43-V74 HydrophobicContact CB-CB 4.38Å; R43-V74 HydrophobicContact CB-CG1 3.95Å; R43-V74 HydrophobicContact CG-CB 4.3Å; R43-V74 HydrophobicContact CG-CG1 4.36Å; R43-D76 WeakPolarHBondContact CD-OD1 3.06Å; R43-D76 IonicContact CZ-OD1 2.86Å; R43-D76 IonicContact NE-OD1 3.66Å; R43-D76 PolarHBondContact NE-OD1 2.87Å; R43-D76 IonicContact NH2-OD1 3.74Å; R43-A111 PolarHBondContact NH2-O 2.73Å; R43-D112 VanDerWaalsContact NH2-C 3.35Å; R43-D113 IonicContact NH1-OD2 3.88Å |
| 44 | E | 91.1 | Very high | 90.1 | Very high | 58 Ų | 58 | 66.7 Ų | 66.7 | 27% | 0.271 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -31.9 | 179.7 | -67.7 | 55.8 | -118.1 | 0 | 0 | 110.2 | D42 N80 A111 | D42-E44 WeakPolarHBondContact OD1-CB 3.43Å; D42-E44 PolarHBondContact OD1-N 3.01Å; E44-N80 WeakPolarHBondContact CG-ND2 3.09Å; E44-A111 HydrophobicContact CG-CB 4.08Å |
| 45 | A | 89.3 | Confident | 90.1 | Very high | 78 Ų | 78 | 64.7 Ų | 64.7 | 65% | 0.645 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -49 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D42 R43 | D42-A45 HydrophobicContact CB-CB 4.03Å; D42-A45 PolarHBondContact OD1-N 3.14Å; D42-A45 VanDerWaalsContact OD1-N 3.07Å; R43-A45 PolarHBondContact O-N 2.76Å |
| 46 | Q | 89.3 | Confident | 90.1 | Very high | 72 Ų | 72 | 63.4 Ų | 63.4 | 34% | 0.336 | 32% | 0.32 | S | S | . | . | trans | -156.8 | 111.7 | 177.2 | -176.8 | 165.3 | 7.2 | 0 | 0 | 113 | D42 R43 Y48 Y49 | D42-Q46 PolarHBondContact O-N 2.82Å; D42-Q46 VanDerWaalsContact O-N 3.1Å; R43-Q46 CarbonylContact O-C 3.59Å; R43-Q46 VanDerWaalsContact O-C 3.23Å; R43-Q46 PolarHBondContact O-N 3.4Å; R43-Q46 VanDerWaalsContact O-N 3.15Å; Q46-Y48 WeakPolarHBondContact CG-O 3.41Å; Q46-Y48 PolarHBondContact NE2-O 2.7Å; Q46-Y48 VanDerWaalsContact NE2-O 3.12Å; Q46-Y49 HydrophobicContact CB-CE1 4.3Å; Q46-Y49 HydrophobicContact CB-CE2 4.4Å; Q46-Y49 HydrophobicContact CG-CD1 4.31Å; Q46-Y49 HydrophobicContact CG-CE1 3.82Å; Q46-Y49 HydrophobicContact CG-CE2 4.17Å | ||
| 47 | A | 88.5 | Confident | 90 | Very high | 23 Ų | 23 | 60.4 Ų | 60.4 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -81 | -23.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R43 V74 | R43-A47 HydrophobicContact CG-CB 3.84Å; R43-A47 PolarHBondContact O-N 2.59Å; A47-V74 PolarHBondContact O-N 3.17Å |
| 48 | Y | 91.3 | Very high | 89.7 | Confident | 119 Ų | 119 | 61.8 Ų | 61.8 | 47% | 0.467 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 135.6 | -175.5 | -59.8 | -84.5 | 0 | 0 | 0 | 110.9 | Q46 V71 K73 | Q46-Y48 WeakPolarHBondContact CG-O 3.41Å; Q46-Y48 PolarHBondContact NE2-O 2.7Å; Q46-Y48 VanDerWaalsContact NE2-O 3.12Å; Y48-V71 HydrophobicContact CD1-CG1 3.87Å; Y48-V71 HydrophobicContact CG-CG1 4.48Å; Y48-K73 HydrophobicContact CD1-CB 4.22Å; Y48-K73 HydrophobicContact CD1-CG 4.17Å; Y48-K73 HydrophobicContact CE1-CB 4.1Å; Y48-K73 HydrophobicContact CE1-CD 3.86Å; Y48-K73 HydrophobicContact CE1-CG 3.64Å |
| 49 | Y | 91.8 | Very high | 89.5 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.8 | 171.8 | -63 | -89.1 | 0 | 0 | 0 | 109.5 | I25 F26 L41 Q46 V71 V72 V74 | I25-Y49 HydrophobicContact CD1-CE1 3.83Å; F26-Y49 AromaticContact CE2-CD1 3.91Å; F26-Y49 HydrophobicContact CE2-CD1 3.91Å; F26-Y49 AromaticContact CE2-CD2 3.62Å; F26-Y49 HydrophobicContact CE2-CD2 3.62Å; F26-Y49 HydrophobicContact CE2-CE1 4.29Å; F26-Y49 HydrophobicContact CE2-CE2 4.02Å; F26-Y49 AromaticContact CE2-CG 3.55Å; F26-Y49 HydrophobicContact CE2-CG 3.55Å; F26-Y49 AromaticContact CZ-CD2 3.83Å; F26-Y49 HydrophobicContact CZ-CD2 3.83Å; F26-Y49 HydrophobicContact CZ-CE2 4.14Å; F26-Y49 HydrophobicContact CZ-CG 4.21Å; L41-Y49 HydrophobicContact CD2-CE2 4.48Å; Q46-Y49 HydrophobicContact CB-CE1 4.3Å; Q46-Y49 HydrophobicContact CB-CE2 4.4Å; Q46-Y49 HydrophobicContact CG-CD1 4.31Å; Q46-Y49 HydrophobicContact CG-CE1 3.82Å; Q46-Y49 HydrophobicContact CG-CE2 4.17Å; Y49-V71 CarbonylContact O-C 3.58Å; Y49-V71 WeakPolarHBondContact O-CA 3.44Å; Y49-V72 PolarHBondContact N-O 2.7Å; Y49-V72 PolarHBondContact O-N 3.1Å; Y49-V74 HydrophobicContact CD2-CG2 4.06Å; Y49-V74 HydrophobicContact CE2-CG2 3.82Å |
| 50 | T | 92.3 | Very high | 89.3 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 31% | 0.307 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 114.7 | 174.3 | -54.5 | 0 | 0 | 0 | 0 | 109.1 | E20 E69 | E20-T50 PolarHBondContact N-O 3.15Å; T50-E69 HydrophobicContact CG2-CG 3.8Å; T50-E69 WeakPolarHBondContact CG2-OE1 3.38Å |
| 51 | L | 91.6 | Very high | 89 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 148.8 | -176.1 | -70.6 | 173 | 0 | 0 | 0 | 110.7 | L17 E20 A22 F26 E69 F70 V72 | L17-L51 HydrophobicContact CD1-CB 4.06Å; L17-L51 HydrophobicContact CD1-CD1 4.34Å; L17-L51 HydrophobicContact CD1-CD2 4.47Å; L17-L51 HydrophobicContact CD2-CD1 4.26Å; L17-L51 HydrophobicContact CD2-CD2 4.48Å; L17-L51 HydrophobicContact CG-CD2 4.36Å; E20-L51 WeakPolarHBondContact O-CD2 3.28Å; A22-L51 HydrophobicContact CB-CD2 3.97Å; F26-L51 HydrophobicContact CB-CD1 4.04Å; F26-L51 HydrophobicContact CD2-CD1 3.84Å; F26-L51 HydrophobicContact CG-CD1 3.93Å; L51-E69 WeakPolarHBondContact O-CA 3.27Å; L51-F70 HydrophobicContact CB-CD2 4.4Å; L51-F70 HydrophobicContact CB-CE1 4.02Å; L51-F70 HydrophobicContact CB-CE2 3.8Å; L51-F70 HydrophobicContact CB-CZ 3.58Å; L51-F70 HydrophobicContact CD1-CE2 4.04Å; L51-F70 HydrophobicContact CD1-CZ 4.17Å; L51-F70 PolarHBondContact N-O 3.11Å; L51-F70 PolarHBondContact O-N 2.99Å; L51-F70 VanDerWaalsContact O-O 3.08Å; L51-V72 HydrophobicContact CD1-CG2 3.86Å |
| 52 | Q | 91.9 | Very high | 88.7 | Confident | 55 Ų | 55 | 57.4 Ų | 57.4 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 122.8 | 176.6 | -64.9 | -176.6 | 1.8 | 0 | 0 | 109.5 | S18 S68 E69 | S18-Q52 PolarHBondContact N-O 2.64Å; S18-Q52 PolarHBondContact O-N 3.42Å; S18-Q52 VanDerWaalsContact O-O 3.14Å; S18-Q52 PolarHBondContact OG-O 3.23Å; S18-Q52 VanDerWaalsContact OG-O 3.09Å; Q52-S68 VanDerWaalsContact CA-O 3.31Å; Q52-S68 WeakPolarHBondContact CA-O 3.35Å; Q52-E69 HydrophobicContact CG-CB 4.1Å; Q52-E69 HydrophobicContact CG-CG 4.16Å; Q52-E69 PolarHBondContact NE2-OE1 3.5Å |
| 53 | A | 90.3 | Very high | 88.5 | Confident | 9 Ų | 9 | 57 Ų | 57 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 147 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L2 V16 L17 S68 F70 | L2-A53 HydrophobicContact CD1-CB 3.27Å; V16-A53 WeakPolarHBondContact O-CA 3.02Å; L17-A53 HydrophobicContact CD1-CB 4.3Å; A53-S68 PolarHBondContact N-O 3.42Å; A53-S68 PolarHBondContact O-N 3.12Å; A53-F70 HydrophobicContact CB-CE1 3.81Å |
| 54 | Q | 90.4 | Very high | 88.4 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 134.1 | 177 | -168 | 161.1 | 38.5 | 0 | 0 | 110.3 | V16 I56 P63 E65 R67 | V16-Q54 PolarHBondContact N-O 3.08Å; V16-Q54 PolarHBondContact O-N 3.11Å; Q54-I56 HydrophobicContact CG-CG2 4.02Å; Q54-P63 HydrophobicContact CG-CB 4.28Å; Q54-P63 VanDerWaalsContact NE2-CB 3.29Å; Q54-E65 PolarHBondContact NE2-O 2.97Å; Q54-E65 VanDerWaalsContact NE2-O 3.08Å; Q54-R67 HydrophobicContact CB-CG 4.22Å; Q54-R67 HydrophobicContact CG-CG 4.26Å |
| 55 | A | 90.4 | Very high | 88.2 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 127.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | V13 Y15 V64 E65 | V13-A55 HydrophobicContact CG1-CB 3.74Å; Y15-A55 HydrophobicContact CD1-CB 4.2Å; Y15-A55 HydrophobicContact CE1-CB 4.12Å; A55-V64 HydrophobicContact CB-CG2 3.64Å; A55-V64 VanDerWaalsContact O-CG2 3.26Å; A55-V64 WeakPolarHBondContact O-CG2 3.17Å; A55-V64 PolarHBondContact O-N 2.9Å; A55-E65 HydrophobicContact CB-CB 4.33Å; A55-E65 HydrophobicContact CB-CG 4.45Å |
| 56 | I | 89.1 | Confident | 88.1 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 11% | 0.108 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.3 | 178.6 | 67.6 | 177 | 0 | 0 | 0 | 110.2 | K14 V16 Q54 L62 | K14-I56 HydrophobicContact CD-CD1 3.99Å; K14-I56 HydrophobicContact CD-CG1 4.02Å; K14-I56 HydrophobicContact CG-CD1 3.95Å; K14-I56 HydrophobicContact CG-CG1 3.4Å; K14-I56 PolarHBondContact N-O 3Å; K14-I56 PolarHBondContact O-N 3.41Å; V16-I56 HydrophobicContact CG2-CD1 3.49Å; V16-I56 VanDerWaalsContact CG2-CD1 3.49Å; V16-I56 HydrophobicContact CG2-CG1 3.96Å; Q54-I56 HydrophobicContact CG-CG2 4.02Å; I56-L62 WeakPolarHBondContact CA-O 3.49Å |
| 57 | D | 87.2 | Confident | 88.1 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 20% | 0.203 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 131.7 | 175.7 | 177.9 | -63.8 | 0 | 0 | 0 | 110 | I59 T60 N61 L62 V64 | D57-I59 VanDerWaalsContact C-N 3.31Å; D57-I59 PolarHBondContact O-N 2.8Å; D57-I59 WeakPolarHBondContact OD1-CA 3.24Å; D57-I59 WeakPolarHBondContact OD1-CB 3.3Å; D57-I59 PolarHBondContact OD1-N 3.03Å; D57-T60 WeakPolarHBondContact CB-OG1 3.42Å; D57-T60 PolarHBondContact OD1-N 2.85Å; D57-T60 PolarHBondContact OD1-OG1 2.79Å; D57-N61 WeakPolarHBondContact O-CA 3.14Å; D57-N61 PolarHBondContact O-N 3.05Å; D57-L62 PolarHBondContact N-O 2.89Å; D57-V64 HydrophobicContact CB-CG1 3.78Å |
| 58 | R | 83.8 | Confident | 88.1 | Confident | 83 Ų | 83 | 64.8 Ų | 64.8 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -27.2 | -175.9 | -79.8 | 171 | -179.7 | -103.3 | -8.1 | 114.1 | G11 K12 V13 K14 E30 N31 | G11-R58 WeakPolarHBondContact O-CD 3.37Å; K12-R58 WeakPolarHBondContact O-CB 3.49Å; K12-R58 PolarHBondContact O-N 2.8Å; V13-R58 PolarHBondContact O-NE 2.86Å; K14-R58 HydrophobicContact CB-CG 3.72Å; K14-R58 HydrophobicContact CD-CG 4.02Å; K14-R58 HydrophobicContact CG-CG 3.72Å; E30-R58 PolarHBondContact O-NH2 2.98Å; E30-R58 VanDerWaalsContact O-NH2 3.07Å; N31-R58 PolarHBondContact OD1-NH2 2.91Å |
| 59 | I | 82.2 | Confident | 88.1 | Confident | 142 Ų | 142 | 64.9 Ų | 64.9 | 73% | 0.728 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -46.3 | -177.3 | -58.3 | 176.9 | 0 | 0 | 0 | 109.8 | D57 | D57-I59 VanDerWaalsContact C-N 3.31Å; D57-I59 PolarHBondContact O-N 2.8Å; D57-I59 WeakPolarHBondContact OD1-CA 3.24Å; D57-I59 WeakPolarHBondContact OD1-CB 3.3Å; D57-I59 PolarHBondContact OD1-N 3.03Å |
| 60 | T | 83.9 | Confident | 87.9 | Confident | 79 Ų | 79 | 66.4 Ų | 66.4 | 49% | 0.485 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -15.9 | -175 | 63.5 | 0 | 0 | 0 | 0 | 113.6 | D57 L62 | D57-T60 WeakPolarHBondContact CB-OG1 3.42Å; D57-T60 PolarHBondContact OD1-N 2.85Å; D57-T60 PolarHBondContact OD1-OG1 2.79Å; T60-L62 PolarHBondContact O-N 2.9Å; T60-L62 VanDerWaalsContact O-N 3.1Å; T60-L62 PolarHBondContact OG1-N 2.92Å |
| 61 | N | 82.4 | Confident | 87.9 | Confident | 94 Ų | 94 | 68 Ų | 68 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | trans | 53.5 | 18.5 | -170 | -75 | -53.4 | 0 | 0 | 0 | 113.9 | K14 D57 | K14-N61 WeakPolarHBondContact CE-OD1 3.43Å; K14-N61 PolarHBondContact NZ-OD1 2.86Å; D57-N61 WeakPolarHBondContact O-CA 3.14Å; D57-N61 PolarHBondContact O-N 3.05Å | ||
| 62 | L | 85.8 | Confident | 87.8 | Confident | 112 Ų | 112 | 69.8 Ų | 69.8 | 59% | 0.586 | 37% | 0.367 | S | S | * | . | trans | -90.6 | 146 | 176.2 | -67.6 | 173.4 | 0 | 0 | 0 | 110.2 | I56 D57 T60 V64 | I56-L62 WeakPolarHBondContact CA-O 3.49Å; D57-L62 PolarHBondContact N-O 2.89Å; T60-L62 PolarHBondContact O-N 2.9Å; T60-L62 VanDerWaalsContact O-N 3.1Å; T60-L62 PolarHBondContact OG1-N 2.92Å; L62-V64 PolarHBondContact O-N 3.18Å | ||
| 63 | P | 86.1 | Confident | 87.7 | Confident | 73 Ų | 73 | 73.2 Ų | 73.2 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -58.2 | 130.1 | 172.6 | -24.9 | 35.4 | 0 | 0 | 0 | 112.7 | Q54 | Q54-P63 HydrophobicContact CG-CB 4.28Å; Q54-P63 VanDerWaalsContact NE2-CB 3.29Å |
| 64 | V | 87.8 | Confident | 87.7 | Confident | 48 Ų | 48 | 73.6 Ų | 73.6 | 29% | 0.291 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -93.3 | -21.4 | 169.8 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | V6 V13 A55 D57 L62 | V6-V64 HydrophobicContact CG1-CB 4.42Å; V13-V64 HydrophobicContact CG1-CG2 4.27Å; V13-V64 HydrophobicContact CG2-CG2 4.41Å; A55-V64 HydrophobicContact CB-CG2 3.64Å; A55-V64 VanDerWaalsContact O-CG2 3.26Å; A55-V64 WeakPolarHBondContact O-CG2 3.17Å; A55-V64 PolarHBondContact O-N 2.9Å; D57-V64 HydrophobicContact CB-CG1 3.78Å; L62-V64 PolarHBondContact O-N 3.18Å |
| 65 | E | 87 | Confident | 87.6 | Confident | 66 Ų | 66 | 78.5 Ų | 78.5 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -132.7 | 155 | 176.9 | -73.3 | -62.4 | 151.1 | 0 | 0 | 111.2 | S4 V6 Q54 A55 | S4-E65 WeakPolarHBondContact OG-CG 3.3Å; V6-E65 WeakPolarHBondContact CG2-OE1 3.44Å; Q54-E65 PolarHBondContact NE2-O 2.97Å; Q54-E65 VanDerWaalsContact NE2-O 3.08Å; A55-E65 HydrophobicContact CB-CB 4.33Å; A55-E65 HydrophobicContact CB-CG 4.45Å |
| 66 | P | 86.9 | Confident | 87.4 | Confident | 99 Ų | 99 | 78.6 Ų | 78.6 | 64% | 0.643 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 160.2 | 170 | 30 | -31.5 | 0 | 0 | 0 | 110.5 | S68 | P66-S68 PolarHBondContact O-N 3.43Š|
| 67 | R | 89 | Confident | 87.4 | Confident | 158 Ų | 158 | 83 Ų | 83 | 60% | 0.596 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 132.2 | 177.1 | -66.2 | -174.3 | 178.4 | 171.5 | 0.7 | 110 | Q54 | Q54-R67 HydrophobicContact CB-CG 4.22Å; Q54-R67 HydrophobicContact CG-CG 4.26Å |
| 68 | S | 88.7 | Confident | 87.4 | Confident | 63 Ų | 63 | 82.7 Ų | 82.7 | 44% | 0.441 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 119.4 | 172.1 | -173.7 | 0 | 0 | 0 | 0 | 109 | Q52 A53 P66 | Q52-S68 VanDerWaalsContact CA-O 3.31Å; Q52-S68 WeakPolarHBondContact CA-O 3.35Å; A53-S68 PolarHBondContact N-O 3.42Å; A53-S68 PolarHBondContact O-N 3.12Å; P66-S68 PolarHBondContact O-N 3.43Å |
| 69 | E | 91.2 | Very high | 87.6 | Confident | 121 Ų | 121 | 82.8 Ų | 82.8 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 132.7 | 175.2 | -176 | 166.6 | -111.6 | 0 | 0 | 110.2 | T50 L51 Q52 | T50-E69 HydrophobicContact CG2-CG 3.8Å; T50-E69 WeakPolarHBondContact CG2-OE1 3.38Å; L51-E69 WeakPolarHBondContact O-CA 3.27Å; Q52-E69 HydrophobicContact CG-CB 4.1Å; Q52-E69 HydrophobicContact CG-CG 4.16Å; Q52-E69 PolarHBondContact NE2-OE1 3.5Å |
| 70 | F | 88.7 | Confident | 88.1 | Confident | 46 Ų | 46 | 78 Ų | 78 | 20% | 0.202 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 153.1 | 176.2 | 62.7 | -83.4 | 0 | 0 | 0 | 110.2 | L2 L17 I35 L51 A53 V72 | L2-F70 HydrophobicContact CD1-CD1 4.11Å; L2-F70 HydrophobicContact CD1-CE1 3.58Å; L2-F70 HydrophobicContact CD1-CZ 4.05Å; L17-F70 HydrophobicContact CD1-CE1 4.12Å; L17-F70 HydrophobicContact CD1-CZ 3.73Å; I35-F70 HydrophobicContact CD1-CE1 4.33Å; I35-F70 HydrophobicContact CD1-CE2 3.76Å; I35-F70 HydrophobicContact CD1-CZ 3.41Å; I35-F70 VanDerWaalsContact CD1-CZ 3.41Å; L51-F70 HydrophobicContact CB-CD2 4.4Å; L51-F70 HydrophobicContact CB-CE1 4.02Å; L51-F70 HydrophobicContact CB-CE2 3.8Å; L51-F70 HydrophobicContact CB-CZ 3.58Å; L51-F70 HydrophobicContact CD1-CE2 4.04Å; L51-F70 HydrophobicContact CD1-CZ 4.17Å; L51-F70 PolarHBondContact N-O 3.11Å; L51-F70 PolarHBondContact O-N 2.99Å; L51-F70 VanDerWaalsContact O-O 3.08Å; A53-F70 HydrophobicContact CB-CE1 3.81Å; F70-V72 HydrophobicContact CD2-CG2 4.1Å; F70-V72 HydrophobicContact CE2-CG2 3.8Å |
| 71 | V | 90.9 | Very high | 88.4 | Confident | 83 Ų | 83 | 78.8 Ų | 78.8 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.4 | 178.4 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | Y48 Y49 K73 | Y48-V71 HydrophobicContact CD1-CG1 3.87Å; Y48-V71 HydrophobicContact CG-CG1 4.48Å; Y49-V71 CarbonylContact O-C 3.58Å; Y49-V71 WeakPolarHBondContact O-CA 3.44Å; V71-K73 PolarHBondContact O-N 3.39Å |
| 72 | V | 89.9 | Confident | 89 | Confident | 37 Ų | 37 | 74.4 Ų | 74.4 | 22% | 0.224 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 110.4 | 167 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | F26 Y49 L51 F70 | F26-V72 HydrophobicContact CE1-CG1 4.08Å; F26-V72 HydrophobicContact CZ-CB 4.46Å; F26-V72 HydrophobicContact CZ-CG1 3.99Å; Y49-V72 PolarHBondContact N-O 2.7Å; Y49-V72 PolarHBondContact O-N 3.1Å; L51-V72 HydrophobicContact CD1-CG2 3.86Å; F70-V72 HydrophobicContact CD2-CG2 4.1Å; F70-V72 HydrophobicContact CE2-CG2 3.8Å |
| 73 | K | 89.3 | Confident | 89.3 | Confident | 127 Ų | 127 | 74.6 Ų | 74.6 | 55% | 0.552 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 115.2 | 172 | -178.5 | 174.5 | -175.6 | 176.7 | 0 | 109.1 | Y48 V71 | Y48-K73 HydrophobicContact CD1-CB 4.22Å; Y48-K73 HydrophobicContact CD1-CG 4.17Å; Y48-K73 HydrophobicContact CE1-CB 4.1Å; Y48-K73 HydrophobicContact CE1-CD 3.86Å; Y48-K73 HydrophobicContact CE1-CG 3.64Å; V71-K73 PolarHBondContact O-N 3.39Å |
| 74 | V | 90.6 | Very high | 89.5 | Confident | 17 Ų | 17 | 72.5 Ų | 72.5 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -74 | 129.3 | 172.7 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | L41 R43 A47 Y49 | L41-V74 HydrophobicContact CB-CG1 4.15Å; L41-V74 HydrophobicContact CB-CG2 4.5Å; L41-V74 HydrophobicContact CD1-CG2 4.31Å; R43-V74 HydrophobicContact CB-CB 4.38Å; R43-V74 HydrophobicContact CB-CG1 3.95Å; R43-V74 HydrophobicContact CG-CB 4.3Å; R43-V74 HydrophobicContact CG-CG1 4.36Å; A47-V74 PolarHBondContact O-N 3.17Å; Y49-V74 HydrophobicContact CD2-CG2 4.06Å; Y49-V74 HydrophobicContact CE2-CG2 3.82Å |
| 75 | Q | 87.9 | Confident | 89.3 | Confident | 135 Ų | 135 | 76 Ų | 76 | 63% | 0.631 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 136.9 | 175.2 | -70.3 | -175.6 | -14.7 | 0 | 0 | 109.6 | Y116 | Q75-Y116 PolarHBondContact OE1-OH 2.81Š|
| 76 | D | 87.4 | Confident | 89.2 | Confident | 8 Ų | 8 | 78.5 Ų | 78.5 | 4% | 0.043 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 142.3 | 175.8 | -172.3 | 73.1 | 0 | 0 | 0 | 111.2 | R43 D113 Y116 S119 | R43-D76 WeakPolarHBondContact CD-OD1 3.06Å; R43-D76 IonicContact CZ-OD1 2.86Å; R43-D76 IonicContact NE-OD1 3.66Å; R43-D76 PolarHBondContact NE-OD1 2.87Å; R43-D76 IonicContact NH2-OD1 3.74Å; D76-D113 HydrophobicContact CB-CB 3.83Å; D76-D113 PolarHBondContact OD1-N 2.93Å; D76-D113 PolarHBondContact OD2-N 2.76Å; D76-Y116 HydrophobicContact CB-CD1 3.93Å; D76-Y116 HydrophobicContact CB-CG 4.21Å; D76-Y116 WeakPolarHBondContact O-CD1 3.46Å; D76-Y116 WeakPolarHBondContact O-CE1 3.4Å; D76-S119 VanDerWaalsContact OD2-CB 3.26Å; D76-S119 WeakPolarHBondContact OD2-CB 3.37Å; D76-S119 PolarHBondContact OD2-OG 3.45Å |
| 77 | I | 88.1 | Confident | 89 | Confident | 113 Ų | 113 | 75.4 Ų | 75.4 | 58% | 0.579 | 38% | 0.381 | S | S | * | . | trans | -127.1 | 152.7 | 166.8 | 61.1 | 169.4 | 0 | 0 | 0 | 107.4 | D79 | I77-D79 VanDerWaalsContact C-N 3.3Å; I77-D79 HydrophobicContact CD1-CB 4.18Å; I77-D79 HydrophobicContact CG1-CB 4.13Å; I77-D79 PolarHBondContact O-N 3.03Å | ||
| 78 | N | 88 | Confident | 89.2 | Confident | 32 Ų | 32 | 72.6 Ų | 72.6 | 17% | 0.171 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -81.7 | 76.4 | -178.1 | -167.6 | 96.7 | 0 | 0 | 0 | 111.2 | D112 S119 D165 M166 | N78-D112 VanDerWaalsContact CA-OD2 3.26Å; N78-D112 WeakPolarHBondContact CA-OD2 3.42Å; N78-S119 VanDerWaalsContact OD1-CA 3.26Å; N78-S119 WeakPolarHBondContact OD1-CA 3.25Å; N78-S119 WeakPolarHBondContact OD1-CB 3.4Å; N78-S119 PolarHBondContact OD1-O 2.96Å; N78-D165 PolarHBondContact ND2-OD2 2.8Å; N78-D165 PolarHBondContact OD1-OD2 2.86Å; N78-M166 HydrophobicContact CB-CE 3.35Å |
| 79 | D | 88.9 | Confident | 89.4 | Confident | 86 Ų | 86 | 70.5 Ų | 70.5 | 46% | 0.46 | 37% | 0.365 | S | S | . | . | trans | -113.5 | -1.3 | -177.1 | 70.1 | -21.9 | 0 | 0 | 0 | 114.3 | I77 D112 | I77-D79 VanDerWaalsContact C-N 3.3Å; I77-D79 HydrophobicContact CD1-CB 4.18Å; I77-D79 HydrophobicContact CG1-CB 4.13Å; I77-D79 PolarHBondContact O-N 3.03Å; D79-D112 PolarHBondContact N-OD2 2.86Å | ||
| 80 | N | 90.9 | Very high | 89.6 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 22% | 0.219 | 38% | 0.375 | C | S | . | . | trans | -108.6 | 137.8 | 169.7 | -64.5 | -87.6 | 0 | 0 | 0 | 111.5 | E44 A111 D112 | E44-N80 WeakPolarHBondContact CG-ND2 3.09Å; N80-A111 HydrophobicContact CB-CB 4Å; N80-D112 VanDerWaalsContact CB-OD1 3.26Å; N80-D112 WeakPolarHBondContact CB-OD1 3.49Å; N80-D112 PolarHBondContact N-OD1 2.79Å; N80-D112 PolarHBondContact N-OD2 2.92Å; N80-D112 PolarHBondContact ND2-OD1 3.48Å | ||
| 81 | E | 91.7 | Very high | 89.8 | Confident | 96 Ų | 96 | 70 Ų | 70 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | trans | -90.9 | 151.6 | 173.3 | 68.4 | -176.1 | -179.3 | 0 | 0 | 111.4 | K83 L173 | E81-K83 PolarHBondContact O-N 3.49Å; E81-L173 HydrophobicContact CB-CB 3.74Å; E81-L173 HydrophobicContact CB-CD1 4.31Å | ||
| 82 | P | 93.4 | Very high | 90 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | trans | -60.5 | 132.6 | 173.9 | -25 | 33.7 | 0 | 0 | 0 | 112.1 | A108 D110 V122 A163 D165 G175 | P82-A108 HydrophobicContact CB-CB 4.19Å; P82-D110 VanDerWaalsContact CD-OD2 3.26Å; P82-D110 WeakPolarHBondContact CD-OD2 3.49Å; P82-D110 WeakPolarHBondContact CG-OD2 3.45Å; P82-V122 HydrophobicContact CB-CG1 4.23Å; P82-V122 HydrophobicContact CB-CG2 3.94Å; P82-V122 HydrophobicContact CG-CG1 4.32Å; P82-V122 HydrophobicContact CG-CG2 3.82Å; P82-A163 HydrophobicContact CB-CB 3.79Å; P82-D165 HydrophobicContact CG-CB 3.75Å; P82-G175 VanDerWaalsContact O-CA 3.3Å; P82-G175 WeakPolarHBondContact O-CA 3.38Å | ||
| 83 | K | 92.2 | Very high | 90.2 | Very high | 116 Ų | 116 | 66.8 Ų | 66.8 | 50% | 0.504 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.3 | 179.6 | -70 | 173.9 | -173.8 | 168.1 | 0 | 111.9 | E81 A108 T109 | E81-K83 PolarHBondContact O-N 3.49Å; K83-A108 CarbonylContact O-C 3.54Å; K83-A108 WeakPolarHBondContact O-CA 3.44Å; K83-T109 PolarHBondContact N-O 3.03Å; K83-T109 PolarHBondContact O-N 2.85Å |
| 84 | F | 91.9 | Very high | 90.4 | Very high | 30 Ų | 30 | 63.6 Ų | 63.6 | 13% | 0.132 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 125.9 | 171.5 | -67.6 | -87.9 | 0 | 0 | 0 | 109.8 | Y89 V106 A108 Y124 I161 A163 T177 | F84-Y89 HydrophobicContact CB-CE2 4.47Å; F84-Y89 HydrophobicContact CD1-CE2 4.13Å; F84-V106 HydrophobicContact CE1-CB 4.42Å; F84-A108 HydrophobicContact CD1-CB 3.84Å; F84-A108 HydrophobicContact CD2-CB 4.2Å; F84-A108 HydrophobicContact CE1-CB 3.89Å; F84-A108 HydrophobicContact CE2-CB 4.24Å; F84-A108 HydrophobicContact CG-CB 4.02Å; F84-A108 HydrophobicContact CZ-CB 4.1Å; F84-Y124 HydrophobicContact CE1-CD1 4.12Å; F84-Y124 AromaticContact CE1-CE1 3.77Å; F84-Y124 HydrophobicContact CE1-CE1 3.77Å; F84-Y124 HydrophobicContact CZ-CD1 4.18Å; F84-Y124 HydrophobicContact CZ-CE1 4.09Å; F84-I161 HydrophobicContact CE1-CG2 4.48Å; F84-I161 HydrophobicContact CZ-CG2 4.13Å; F84-A163 HydrophobicContact CE1-CB 4.3Å; F84-A163 HydrophobicContact CE2-CB 3.57Å; F84-A163 HydrophobicContact CZ-CB 3.43Å; F84-A163 VanDerWaalsContact CZ-CB 3.43Å; F84-T177 HydrophobicContact CB-CG2 4.36Å; F84-T177 HydrophobicContact CD1-CG2 3.54Å; F84-T177 HydrophobicContact CD2-CG2 3.73Å; F84-T177 HydrophobicContact CE1-CG2 3.57Å; F84-T177 HydrophobicContact CE2-CG2 3.76Å; F84-T177 HydrophobicContact CG-CG2 3.61Å; F84-T177 HydrophobicContact CZ-CG2 3.67Å |
| 85 | L | 82.1 | Confident | 90.4 | Very high | 121 Ų | 121 | 63 Ų | 63 | 63% | 0.634 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -81.7 | -35.7 | -175.2 | -63.3 | 175.1 | 0 | 0 | 0 | 112.7 | T109 | L85-T109 HydrophobicContact CD1-CG2 3.84Å; L85-T109 HydrophobicContact CG-CG2 4.42Å |
| 86 | D | 85.8 | Confident | 90.3 | Very high | 119 Ų | 119 | 60.3 Ų | 60.3 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -111.9 | 15.5 | -171.6 | -50.8 | -55.6 | 0 | 0 | 0 | 113.1 | Y89 | D86-Y89 HydrophobicContact CB-CE1 3.65Š|
| 87 | G | 83.3 | Confident | 90.5 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 35% | 0.351 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 148.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | T177 | G87-T177 WeakPolarHBondContact CA-OG1 3.36Š|
| 88 | P | 91.9 | Very high | 90.6 | Very high | 98 Ų | 98 | 59.9 Ų | 59.9 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | S | Bend | cis | -76 | 149.8 | 0.4 | 31.6 | -36 | 0 | 0 | 0 | 113.6 | S178 | P88-S178 WeakPolarHBondContact CB-OG 3.43Š|
| 89 | Y | 93.1 | Very high | 90.8 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 8% | 0.075 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 142.6 | -175.4 | -62.2 | -93.1 | 0 | 0 | 0 | 112.5 | F84 D86 V104 V106 A107 T177 S178 V179 T180 | F84-Y89 HydrophobicContact CB-CE2 4.47Å; F84-Y89 HydrophobicContact CD1-CE2 4.13Å; D86-Y89 HydrophobicContact CB-CE1 3.65Å; Y89-V104 HydrophobicContact CD1-CG2 4.4Å; Y89-V106 HydrophobicContact CD1-CG1 4.15Å; Y89-V106 HydrophobicContact CD2-CG1 3.83Å; Y89-V106 HydrophobicContact CE1-CG1 4.3Å; Y89-V106 HydrophobicContact CE2-CB 4.22Å; Y89-V106 HydrophobicContact CE2-CG1 4.01Å; Y89-V106 HydrophobicContact CG-CG1 3.93Å; Y89-A107 PolarHBondContact OH-O 3Å; Y89-T177 HydrophobicContact CD2-CG2 4.01Å; Y89-T177 HydrophobicContact CE2-CG2 3.89Å; Y89-S178 PolarHBondContact N-O 2.99Å; Y89-V179 HydrophobicContact CD2-CG2 4.25Å; Y89-V179 HydrophobicContact CG-CG2 4.49Å; Y89-V179 WeakPolarHBondContact O-CA 3.35Å; Y89-T180 PolarHBondContact O-N 3.45Å |
| 90 | L | 94.8 | Very high | 90.9 | Very high | 147 Ų | 147 | 61.6 Ų | 61.6 | 77% | 0.77 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.1 | 170.9 | -65 | 172 | 0 | 0 | 0 | 109 | T180 | L90-T180 HydrophobicContact CD2-CG2 4.43Å |
| 91 | A | 93.8 | Very high | 91 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 141.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V103 V104 T180 V181 T182 | A91-V103 HydrophobicContact CB-CG1 3.69Å; A91-V104 HydrophobicContact CB-CB 3.82Å; A91-V104 HydrophobicContact CB-CG1 4.02Å; A91-V104 HydrophobicContact CB-CG2 4.46Å; A91-T180 PolarHBondContact N-O 3.12Å; A91-V181 CarbonylContact O-C 3.55Å; A91-V181 WeakPolarHBondContact O-CA 3.3Å; A91-T182 PolarHBondContact O-N 3.32Å; A91-T182 PolarHBondContact O-OG1 2.86Å |
| 92 | G | 94.4 | Very high | 91.1 | Very high | 47 Ų | 47 | 62.9 Ų | 62.9 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | T182 | G92-T182 VanDerWaalsContact CA-O 3.31Å; G92-T182 WeakPolarHBondContact CA-O 3.23Å |
| 93 | V | 94.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.024 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 137.4 | 172.4 | 67.9 | 0 | 0 | 0 | 0 | 109.8 | E95 T101 V103 I144 V181 T182 L183 T184 | V93-E95 PolarHBondContact O-N 3.42Å; V93-T101 HydrophobicContact CG2-CG2 4.24Å; V93-V103 HydrophobicContact CB-CG2 4.44Å; V93-V103 HydrophobicContact CG1-CG2 4.49Å; V93-V103 HydrophobicContact CG2-CG2 4.41Å; V93-I144 HydrophobicContact CG2-CD1 3.95Å; V93-V181 HydrophobicContact CG1-CG1 3.76Å; V93-T182 PolarHBondContact N-O 3.2Å; V93-T182 VanDerWaalsContact N-O 3.1Å; V93-L183 HydrophobicContact CG1-CD2 3.63Å; V93-L183 CarbonylContact O-C 3.59Å; V93-L183 VanDerWaalsContact O-CA 3.27Å; V93-L183 WeakPolarHBondContact O-CA 3.3Å; V93-T184 PolarHBondContact O-N 3.09Å |
| 94 | P | 92.7 | Very high | 91.2 | Very high | 61 Ų | 61 | 59.4 Ų | 59.4 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 139.5 | 173.4 | -23.4 | 33.7 | 0 | 0 | 0 | 111.3 | S97 T184 V186 | P94-S97 VanDerWaalsContact O-CB 3.24Å; P94-S97 WeakPolarHBondContact O-CB 3.34Å; P94-S97 PolarHBondContact O-OG 2.77Å; P94-T184 WeakPolarHBondContact CA-O 3.1Å; P94-T184 WeakPolarHBondContact CA-OG1 3.24Å; P94-V186 HydrophobicContact CB-CG2 3.94Å |
| 95 | E | 91.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 1% | 0.014 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 164.6 | 166.7 | 74.1 | -170.2 | 115.1 | 0 | 0 | 111.6 | V93 S97 D150 R151 L183 T184 D185 V186 | V93-E95 PolarHBondContact O-N 3.42Å; E95-S97 PolarHBondContact O-N 3.01Å; E95-D150 WeakPolarHBondContact OE2-CA 3.45Å; E95-R151 HydrophobicContact CB-CB 4.4Å; E95-R151 WeakPolarHBondContact OE1-CB 3.22Å; E95-R151 VanDerWaalsContact OE2-CB 3.3Å; E95-R151 WeakPolarHBondContact OE2-CB 3.17Å; E95-R151 PolarHBondContact OE2-N 3.07Å; E95-L183 HydrophobicContact CB-CD1 4.2Å; E95-T184 PolarHBondContact N-O 2.96Å; E95-T184 VanDerWaalsContact N-O 3.1Å; E95-D185 WeakPolarHBondContact OE1-CA 3.3Å; E95-V186 HydrophobicContact CG-CB 3.77Å; E95-V186 HydrophobicContact CG-CG2 3.83Å; E95-V186 PolarHBondContact OE1-N 2.81Å |
| 96 | M | 86.1 | Confident | 91.5 | Very high | 79 Ų | 79 | 58 Ų | 58 | 39% | 0.389 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 13.3 | -173.8 | -55.9 | -174.7 | 77.5 | 0 | 0 | 115.4 | M149 D188 F283 | M96-M149 PolarHBondContact N-O 3.2Å; M96-D188 HydrophobicContact SD-CB 3.97Å; M96-F283 HydrophobicContact CE-CE1 4.2Å; M96-F283 HydrophobicContact SD-CD1 4.21Å; M96-F283 HydrophobicContact SD-CE1 3.68Å |
| 97 | S | 90.4 | Very high | 91.7 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 142.5 | 179.2 | -80.7 | 0 | 0 | 0 | 0 | 111.6 | P94 E95 | P94-S97 VanDerWaalsContact O-CB 3.24Å; P94-S97 WeakPolarHBondContact O-CB 3.34Å; P94-S97 PolarHBondContact O-OG 2.77Å; E95-S97 PolarHBondContact O-N 3.01Å |
| 98 | P | 91 | Very high | 92 | Very high | 94 Ų | 94 | 53.2 Ų | 53.2 | 61% | 0.61 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 156.1 | -176.6 | 24.4 | -31.1 | 0 | 0 | 0 | 112 | G100 T101 | P98-G100 PolarHBondContact O-N 2.89Å; P98-T101 WeakPolarHBondContact CD-OG1 3.43Å; P98-T101 WeakPolarHBondContact CG-OG1 3.26Å; P98-T101 WeakPolarHBondContact O-CB 3.48Å; P98-T101 PolarHBondContact O-N 2.83Å; P98-T101 PolarHBondContact O-OG1 2.77Å |
| 99 | L | 92.4 | Very high | 91.9 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 58% | 0.576 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 138.1 | 177.7 | -61.3 | 179.3 | 0 | 0 | 0 | 111.1 | T101 I144 L146 P147 | L99-T101 VanDerWaalsContact C-N 3.31Å; L99-I144 HydrophobicContact CD2-CG2 4.34Å; L99-L146 VanDerWaalsContact CD2-C 3.49Å; L99-P147 HydrophobicContact CD2-CB 4.23Å |
| 100 | G | 90.9 | Very high | 91.8 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 44% | 0.443 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | P98 M102 I144 | P98-G100 PolarHBondContact O-N 2.89Å; G100-M102 PolarHBondContact O-N 2.82Å; G100-I144 PolarHBondContact N-O 2.82Å |
| 101 | T | 93.2 | Very high | 91.6 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | trans | -55.6 | 129.9 | 171.5 | -58 | 0 | 0 | 0 | 0 | 109.8 | V93 P98 L99 K143 I144 | V93-T101 HydrophobicContact CG2-CG2 4.24Å; P98-T101 WeakPolarHBondContact CD-OG1 3.43Å; P98-T101 WeakPolarHBondContact CG-OG1 3.26Å; P98-T101 WeakPolarHBondContact O-CB 3.48Å; P98-T101 PolarHBondContact O-N 2.83Å; P98-T101 PolarHBondContact O-OG1 2.77Å; L99-T101 VanDerWaalsContact C-N 3.31Å; T101-K143 WeakPolarHBondContact O-CA 3.3Å; T101-I144 PolarHBondContact O-N 2.88Å | ||
| 102 | M | 93.8 | Very high | 91.5 | Very high | 124 Ų | 124 | 47.5 Ų | 47.5 | 61% | 0.611 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 129.5 | 175.2 | 174 | 171.7 | 87.3 | 0 | 0 | 110.5 | G100 V141 | G100-M102 PolarHBondContact O-N 2.82Å; M102-V141 HydrophobicContact CB-CG1 4.03Å; M102-V141 HydrophobicContact CG-CG1 3.47Å; M102-V141 VanDerWaalsContact CG-CG1 3.47Å; M102-V141 HydrophobicContact SD-CG1 3.78Å |
| 103 | V | 93.8 | Very high | 91 | Very high | 18 Ų | 18 | 46.6 Ų | 46.6 | 11% | 0.109 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -56.6 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | A91 V93 F133 L142 I144 V181 | A91-V103 HydrophobicContact CB-CG1 3.69Å; V93-V103 HydrophobicContact CB-CG2 4.44Å; V93-V103 HydrophobicContact CG1-CG2 4.49Å; V93-V103 HydrophobicContact CG2-CG2 4.41Å; V103-F133 HydrophobicContact CG2-CD1 4.19Å; V103-F133 HydrophobicContact CG2-CE1 4.15Å; V103-L142 HydrophobicContact CB-CB 4.48Å; V103-L142 HydrophobicContact CB-CD2 4.18Å; V103-L142 HydrophobicContact CB-CG 4.42Å; V103-L142 HydrophobicContact CG1-CD2 4.15Å; V103-L142 PolarHBondContact N-O 3.24Å; V103-I144 HydrophobicContact CG2-CG1 4.07Å; V103-V181 HydrophobicContact CG1-CG1 3.9Å; V103-V181 HydrophobicContact CG1-CG2 3.97Å |
| 104 | V | 92.8 | Very high | 90.3 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 16% | 0.158 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 157.6 | -179.4 | 63.8 | 0 | 0 | 0 | 0 | 110.6 | Y89 A91 V106 L142 V179 | Y89-V104 HydrophobicContact CD1-CG2 4.4Å; A91-V104 HydrophobicContact CB-CB 3.82Å; A91-V104 HydrophobicContact CB-CG1 4.02Å; A91-V104 HydrophobicContact CB-CG2 4.46Å; V104-V106 HydrophobicContact CG1-CG1 4.01Å; V104-L142 HydrophobicContact CG1-CB 4.11Å; V104-L142 HydrophobicContact CG1-CD2 4.01Å; V104-L142 WeakPolarHBondContact O-CB 3.43Å; V104-L142 PolarHBondContact O-N 3.21Å; V104-V179 HydrophobicContact CG1-CG1 3.85Å |
| 105 | Q | 91.4 | Very high | 89.6 | Confident | 122 Ų | 122 | 52.2 Ų | 52.2 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 130.6 | 173.1 | -171.8 | 177.9 | 1.5 | 0 | 0 | 110.1 | V140 | Q105-V140 WeakPolarHBondContact CA-O 3.31Å; Q105-V140 HydrophobicContact CG-CB 4.42Å; Q105-V140 HydrophobicContact CG-CG1 4.49Å |
| 106 | V | 89.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -127.6 | 83.6 | -168.1 | -70.5 | 0 | 0 | 0 | 0 | 113 | F84 Y89 V104 Y124 V135 V140 I161 V179 | F84-V106 HydrophobicContact CE1-CB 4.42Å; Y89-V106 HydrophobicContact CD1-CG1 4.15Å; Y89-V106 HydrophobicContact CD2-CG1 3.83Å; Y89-V106 HydrophobicContact CE1-CG1 4.3Å; Y89-V106 HydrophobicContact CE2-CB 4.22Å; Y89-V106 HydrophobicContact CE2-CG1 4.01Å; Y89-V106 HydrophobicContact CG-CG1 3.93Å; V104-V106 HydrophobicContact CG1-CG1 4.01Å; V106-Y124 WeakPolarHBondContact O-CE1 3.15Å; V106-V135 HydrophobicContact CG2-CG2 4.45Å; V106-V140 HydrophobicContact CG2-CG1 4.39Å; V106-V140 PolarHBondContact N-O 3.3Å; V106-V140 WeakPolarHBondContact O-CG1 3.17Å; V106-I161 HydrophobicContact CB-CD1 4.36Å; V106-I161 HydrophobicContact CG1-CD1 4.16Å; V106-I161 HydrophobicContact CG2-CD1 3.72Å; V106-I161 HydrophobicContact CG2-CG2 4.34Å; V106-V179 HydrophobicContact CG1-CG2 3.94Å | ||
| 107 | A | 89.3 | Confident | 87.9 | Confident | 41 Ų | 41 | 55.6 Ų | 55.6 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | trans | -89 | 132.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y89 V140 | Y89-A107 PolarHBondContact OH-O 3Å; A107-V140 HydrophobicContact CB-CG1 4.17Å | ||
| 108 | A | 90.3 | Very high | 87.2 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 145 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | P82 K83 F84 Y124 A163 | P82-A108 HydrophobicContact CB-CB 4.19Å; K83-A108 CarbonylContact O-C 3.54Å; K83-A108 WeakPolarHBondContact O-CA 3.44Å; F84-A108 HydrophobicContact CD1-CB 3.84Å; F84-A108 HydrophobicContact CD2-CB 4.2Å; F84-A108 HydrophobicContact CE1-CB 3.89Å; F84-A108 HydrophobicContact CE2-CB 4.24Å; F84-A108 HydrophobicContact CG-CB 4.02Å; F84-A108 HydrophobicContact CZ-CB 4.1Å; A108-Y124 HydrophobicContact CB-CE1 3.92Å; A108-Y124 PolarHBondContact N-OH 3.25Å; A108-Y124 PolarHBondContact O-OH 2.99Å; A108-Y124 VanDerWaalsContact O-OH 3.07Å; A108-A163 HydrophobicContact CB-CB 3.51Å |
| 109 | T | 89.8 | Confident | 86.6 | Confident | 71 Ų | 71 | 53 Ų | 53 | 44% | 0.436 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138.9 | 175.7 | 54.4 | 0 | 0 | 0 | 0 | 109.9 | K83 L85 | K83-T109 PolarHBondContact N-O 3.03Å; K83-T109 PolarHBondContact O-N 2.85Å; L85-T109 HydrophobicContact CD1-CG2 3.84Å; L85-T109 HydrophobicContact CG-CG2 4.42Å |
| 110 | D | 90.8 | Very high | 86 | Confident | 25 Ų | 25 | 48.7 Ų | 48.7 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | trans | -113.3 | 141 | 174.6 | -161.7 | -59.6 | 0 | 0 | 0 | 108.9 | P82 D112 A120 V122 | P82-D110 VanDerWaalsContact CD-OD2 3.26Å; P82-D110 WeakPolarHBondContact CD-OD2 3.49Å; P82-D110 WeakPolarHBondContact CG-OD2 3.45Å; D110-D112 WeakPolarHBondContact OD1-CB 3.46Å; D110-D112 PolarHBondContact OD1-N 2.91Å; D110-A120 HydrophobicContact CB-CB 3.89Å; D110-V122 HydrophobicContact CB-CG2 4.02Å | ||
| 111 | A | 91 | Very high | 85.8 | Confident | 54 Ų | 54 | 53 Ų | 53 | 45% | 0.446 | 30% | 0.304 | S | S | . | . | trans | -85.6 | -17.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R43 E44 N80 | R43-A111 PolarHBondContact NH2-O 2.73Å; E44-A111 HydrophobicContact CG-CB 4.08Å; N80-A111 HydrophobicContact CB-CB 4Å | ||
| 112 | D | 90.2 | Very high | 85.6 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -69.1 | 173.7 | -176 | -64.5 | -15.6 | 0 | 0 | 0 | 112.1 | R43 N78 D79 N80 D110 P114 A120 | R43-D112 VanDerWaalsContact NH2-C 3.35Å; N78-D112 VanDerWaalsContact CA-OD2 3.26Å; N78-D112 WeakPolarHBondContact CA-OD2 3.42Å; D79-D112 PolarHBondContact N-OD2 2.86Å; N80-D112 VanDerWaalsContact CB-OD1 3.26Å; N80-D112 WeakPolarHBondContact CB-OD1 3.49Å; N80-D112 PolarHBondContact N-OD1 2.79Å; N80-D112 PolarHBondContact N-OD2 2.92Å; N80-D112 PolarHBondContact ND2-OD1 3.48Å; D110-D112 WeakPolarHBondContact OD1-CB 3.46Å; D110-D112 PolarHBondContact OD1-N 2.91Å; D112-P114 WeakPolarHBondContact O-CD 3.31Å; D112-A120 HydrophobicContact CB-CB 4.11Å; D112-A120 WeakPolarHBondContact O-CB 3.38Å |
| 113 | D | 85.4 | Confident | 85.4 | Confident | 29 Ų | 29 | 48.6 Ų | 48.6 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | trans | -79 | 120.2 | 178 | -164.8 | -34 | 0 | 0 | 0 | 111.9 | R43 D76 T115 Y116 | R43-D113 IonicContact NH1-OD2 3.88Å; D76-D113 HydrophobicContact CB-CB 3.83Å; D76-D113 PolarHBondContact OD1-N 2.93Å; D76-D113 PolarHBondContact OD2-N 2.76Å; D113-T115 PolarHBondContact O-N 3.46Å; D113-T115 WeakPolarHBondContact OD1-CB 3.48Å; D113-T115 PolarHBondContact OD1-N 2.87Å; D113-T115 PolarHBondContact OD1-OG1 2.87Å; D113-T115 PolarHBondContact OD2-OG1 2.87Å; D113-Y116 PolarHBondContact O-N 2.99Å | ||
| 114 | P | 78.6 | Confident | 85.3 | Confident | 67 Ų | 67 | 48.4 Ų | 48.4 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.8 | 179.8 | 29.7 | -36.3 | 0 | 0 | 0 | 114 | D112 A120 R121 | D112-P114 WeakPolarHBondContact O-CD 3.31Å; P114-A120 HydrophobicContact CB-CB 4.1Å; P114-R121 PolarHBondContact O-NE 3.18Å |
| 115 | T | 77.9 | Confident | 85.2 | Confident | 115 Ų | 115 | 49.3 Ų | 49.3 | 71% | 0.706 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -21.2 | -178.6 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | D113 | D113-T115 PolarHBondContact O-N 3.46Å; D113-T115 WeakPolarHBondContact OD1-CB 3.48Å; D113-T115 PolarHBondContact OD1-N 2.87Å; D113-T115 PolarHBondContact OD1-OG1 2.87Å; D113-T115 PolarHBondContact OD2-OG1 2.87Å |
| 116 | Y | 73 | Confident | 85.3 | Confident | 101 Ų | 101 | 45.9 Ų | 45.9 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -102.4 | 121.2 | -179.5 | -159 | -99 | 0 | 0 | 0 | 109.3 | Q75 D76 D113 N118 S119 | Q75-Y116 PolarHBondContact OE1-OH 2.81Å; D76-Y116 HydrophobicContact CB-CD1 3.93Å; D76-Y116 HydrophobicContact CB-CG 4.21Å; D76-Y116 WeakPolarHBondContact O-CD1 3.46Å; D76-Y116 WeakPolarHBondContact O-CE1 3.4Å; D113-Y116 PolarHBondContact O-N 2.99Å; Y116-N118 PolarHBondContact O-N 2.94Å; Y116-S119 PolarHBondContact O-N 3.48Å; Y116-S119 VanDerWaalsContact O-N 3.08Å; Y116-S119 PolarHBondContact O-OG 2.9Å; Y116-S119 VanDerWaalsContact O-OG 3.08Å |
| 117 | G | 69.6 | Low | 85.5 | Confident | 52 Ų | 52 | 50 Ų | 50 | 54% | 0.536 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | -0 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 118 | N | 77.1 | Confident | 85.6 | Confident | 56 Ų | 56 | 54.3 Ų | 54.3 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 22.3 | -163.8 | -51.6 | -69.2 | 0 | 0 | 0 | 114 | Y116 A120 R121 M166 V167 | Y116-N118 PolarHBondContact O-N 2.94Å; N118-A120 PolarHBondContact O-N 2.73Å; N118-R121 HydrophobicContact CB-CB 4.15Å; N118-R121 HydrophobicContact CB-CG 4.2Å; N118-R121 WeakPolarHBondContact O-CB 3.47Å; N118-R121 PolarHBondContact O-N 3.23Å; N118-R121 VanDerWaalsContact OD1-CD 3.32Å; N118-R121 WeakPolarHBondContact OD1-CD 3.41Å; N118-R121 PolarHBondContact OD1-NE 3.27Å; N118-R121 PolarHBondContact OD1-NH1 2.8Å; N118-M166 WeakPolarHBondContact O-CA 3.45Å; N118-M166 PolarHBondContact O-N 2.78Å; N118-V167 HydrophobicContact CB-CG2 3.79Å |
| 119 | S | 77.4 | Confident | 85.5 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 3% | 0.028 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -58.6 | -175.4 | -48.4 | 0 | 0 | 0 | 0 | 110.6 | D76 N78 Y116 R121 D165 M166 | D76-S119 VanDerWaalsContact OD2-CB 3.26Å; D76-S119 WeakPolarHBondContact OD2-CB 3.37Å; D76-S119 PolarHBondContact OD2-OG 3.45Å; N78-S119 VanDerWaalsContact OD1-CA 3.26Å; N78-S119 WeakPolarHBondContact OD1-CA 3.25Å; N78-S119 WeakPolarHBondContact OD1-CB 3.4Å; N78-S119 PolarHBondContact OD1-O 2.96Å; Y116-S119 PolarHBondContact O-N 3.48Å; Y116-S119 VanDerWaalsContact O-N 3.08Å; Y116-S119 PolarHBondContact O-OG 2.9Å; Y116-S119 VanDerWaalsContact O-OG 3.08Å; S119-R121 VanDerWaalsContact C-N 3.28Å; S119-R121 PolarHBondContact O-N 3.38Å; S119-R121 VanDerWaalsContact O-N 3.09Å; S119-D165 VanDerWaalsContact O-CB 3.3Å; S119-D165 WeakPolarHBondContact O-CB 3.43Å; S119-M166 PolarHBondContact O-N 2.85Å |
| 120 | A | 80.6 | Confident | 85.3 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 12.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | D110 D112 P114 N118 V122 | D110-A120 HydrophobicContact CB-CB 3.89Å; D112-A120 HydrophobicContact CB-CB 4.11Å; D112-A120 WeakPolarHBondContact O-CB 3.38Å; P114-A120 HydrophobicContact CB-CB 4.1Å; N118-A120 PolarHBondContact O-N 2.73Å; A120-V122 PolarHBondContact O-N 2.78Å |
| 121 | R | 86.1 | Confident | 85.2 | Confident | 134 Ų | 134 | 59.1 Ų | 59.1 | 51% | 0.506 | 34% | 0.338 | S | S | . | . | trans | -90.1 | 100.1 | 178.7 | -66.3 | -168.6 | -177.3 | -169.6 | -7.6 | 111.2 | P114 N118 S119 D165 M166 V167 | P114-R121 PolarHBondContact O-NE 3.18Å; N118-R121 HydrophobicContact CB-CB 4.15Å; N118-R121 HydrophobicContact CB-CG 4.2Å; N118-R121 WeakPolarHBondContact O-CB 3.47Å; N118-R121 PolarHBondContact O-N 3.23Å; N118-R121 VanDerWaalsContact OD1-CD 3.32Å; N118-R121 WeakPolarHBondContact OD1-CD 3.41Å; N118-R121 PolarHBondContact OD1-NE 3.27Å; N118-R121 PolarHBondContact OD1-NH1 2.8Å; S119-R121 VanDerWaalsContact C-N 3.28Å; S119-R121 PolarHBondContact O-N 3.38Å; S119-R121 VanDerWaalsContact O-N 3.09Å; R121-D165 CarbonylContact O-C 3.57Å; R121-M166 PolarHBondContact O-N 2.86Å; R121-V167 HydrophobicContact CB-CG2 4.05Å; R121-V167 PolarHBondContact O-N 2.93Å | ||
| 122 | V | 88.6 | Confident | 85.2 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | trans | -83.3 | 138.2 | -176.7 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | P82 D110 A120 Y124 A163 K164 | P82-V122 HydrophobicContact CB-CG1 4.23Å; P82-V122 HydrophobicContact CB-CG2 3.94Å; P82-V122 HydrophobicContact CG-CG1 4.32Å; P82-V122 HydrophobicContact CG-CG2 3.82Å; D110-V122 HydrophobicContact CB-CG2 4.02Å; A120-V122 PolarHBondContact O-N 2.78Å; V122-Y124 HydrophobicContact CB-CE2 4.4Å; V122-Y124 HydrophobicContact CG1-CD2 4.46Å; V122-Y124 HydrophobicContact CG1-CE1 4.29Å; V122-Y124 HydrophobicContact CG1-CE2 3.94Å; V122-A163 HydrophobicContact CG1-CB 3.51Å; V122-K164 CarbonylContact C-O 3.29Å; V122-K164 WeakPolarHBondContact CA-O 3.21Å | ||
| 123 | V | 90.2 | Very high | 85.4 | Confident | 41 Ų | 41 | 60 Ų | 60 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.2 | 168.3 | 167.2 | 0 | 0 | 0 | 0 | 109.3 | P137 K164 V167 | V123-P137 HydrophobicContact CG1-CB 4.1Å; V123-K164 PolarHBondContact N-O 2.78Å; V123-K164 PolarHBondContact O-N 3.47Å; V123-V167 HydrophobicContact CG2-CB 4.43Å; V123-V167 HydrophobicContact CG2-CG1 3.87Å |
| 124 | Y | 91.6 | Very high | 85.7 | Confident | 14 Ų | 14 | 61 Ų | 61 | 6% | 0.055 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 141.1 | -177.9 | -59.5 | -96.1 | 0 | 0 | 0 | 111.4 | F84 V106 A108 V122 V140 I161 Q162 A163 | F84-Y124 HydrophobicContact CE1-CD1 4.12Å; F84-Y124 AromaticContact CE1-CE1 3.77Å; F84-Y124 HydrophobicContact CE1-CE1 3.77Å; F84-Y124 HydrophobicContact CZ-CD1 4.18Å; F84-Y124 HydrophobicContact CZ-CE1 4.09Å; V106-Y124 WeakPolarHBondContact O-CE1 3.15Å; A108-Y124 HydrophobicContact CB-CE1 3.92Å; A108-Y124 PolarHBondContact N-OH 3.25Å; A108-Y124 PolarHBondContact O-OH 2.99Å; A108-Y124 VanDerWaalsContact O-OH 3.07Å; V122-Y124 HydrophobicContact CB-CE2 4.4Å; V122-Y124 HydrophobicContact CG1-CD2 4.46Å; V122-Y124 HydrophobicContact CG1-CE1 4.29Å; V122-Y124 HydrophobicContact CG1-CE2 3.94Å; Y124-V140 HydrophobicContact CD1-CG1 4.47Å; Y124-V140 HydrophobicContact CD2-CG1 4.4Å; Y124-V140 HydrophobicContact CD2-CG2 4.07Å; Y124-V140 HydrophobicContact CE1-CG1 4Å; Y124-V140 HydrophobicContact CE2-CB 4.31Å; Y124-V140 HydrophobicContact CE2-CG1 3.98Å; Y124-V140 HydrophobicContact CE2-CG2 3.53Å; Y124-I161 HydrophobicContact CD1-CG2 4.34Å; Y124-Q162 CarbonylContact C-O 3.45Å; Y124-Q162 WeakPolarHBondContact CA-O 3.31Å; Y124-A163 HydrophobicContact CD1-CB 4.11Å; Y124-A163 HydrophobicContact CE1-CB 3.91Å |
| 125 | S | 91.6 | Very high | 86.4 | Confident | 45 Ų | 45 | 58.6 Ų | 58.6 | 32% | 0.315 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 155.1 | 173.6 | 64 | 0 | 0 | 0 | 0 | 111.3 | I161 Q162 | S125-I161 WeakPolarHBondContact O-CA 3.38Å; S125-Q162 PolarHBondContact N-O 3.05Å; S125-Q162 PolarHBondContact O-N 2.87Å |
| 126 | I | 93.6 | Very high | 86.9 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 26% | 0.256 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.3 | 172.1 | -60.3 | 167.1 | 0 | 0 | 0 | 107 | H128 F133 V135 L142 | I126-H128 WeakPolarHBondContact CG2-O 3.45Å; I126-F133 HydrophobicContact CD1-CB 4.19Å; I126-F133 WeakPolarHBondContact CD1-O 3.48Å; I126-V135 HydrophobicContact CD1-CB 4.37Å; I126-V135 HydrophobicContact CD1-CG1 4.41Å; I126-V135 HydrophobicContact CG1-CB 4.18Å; I126-V135 HydrophobicContact CG1-CG1 3.85Å; I126-L142 HydrophobicContact CD1-CD1 3.83Å; I126-L142 HydrophobicContact CG1-CD1 4.47Å |
| 127 | I | 92.8 | Very high | 87.4 | Confident | 88 Ų | 88 | 54.9 Ų | 54.9 | 45% | 0.451 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -21.3 | -178.5 | 56.5 | 165.9 | 0 | 0 | 0 | 112.7 | V160 Q162 T176 | I127-V160 HydrophobicContact CD1-CG1 3.81Å; I127-V160 HydrophobicContact CG1-CB 4.03Å; I127-V160 HydrophobicContact CG1-CG1 3.82Å; I127-V160 WeakPolarHBondContact CG1-O 3.27Å; I127-V160 PolarHBondContact N-O 2.97Å; I127-Q162 HydrophobicContact CD1-CB 4.16Å; I127-Q162 HydrophobicContact CG1-CB 4.22Å; I127-Q162 HydrophobicContact CG2-CB 3.66Å; I127-Q162 HydrophobicContact CG2-CG 4.44Å; I127-T176 HydrophobicContact CD1-CG2 3.82Å |
| 128 | H | 92.5 | Very high | 87.6 | Confident | 130 Ų | 130 | 61.3 Ų | 61.3 | 60% | 0.602 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147 | 132.5 | 174.9 | -175.9 | -87.7 | 0 | 0 | 0 | 109.6 | I126 L159 V160 | I126-H128 WeakPolarHBondContact CG2-O 3.45Å; H128-L159 CarbonylContact O-C 3.55Å; H128-L159 WeakPolarHBondContact O-CA 3.33Å; H128-V160 HydrophobicContact CB-CB 3.96Å; H128-V160 HydrophobicContact CB-CG2 3.95Å; H128-V160 PolarHBondContact O-N 2.85Å |
| 129 | G | 87.1 | Confident | 87.5 | Confident | 33 Ų | 33 | 61.5 Ų | 61.5 | 34% | 0.34 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 156.7 | 178.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 130 | Q | 85 | Confident | 87.7 | Confident | 94 Ų | 94 | 62.2 Ų | 62.2 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | trans | -89.7 | 153.6 | 173.7 | -65.4 | -63.8 | -41 | 0 | 0 | 110.5 | Y132 Y157 | Q130-Y132 HydrophobicContact CB-CD2 3.84Å; Q130-Y132 HydrophobicContact CB-CE2 4.49Å; Q130-Y132 PolarHBondContact O-N 2.95Å; Q130-Y157 HydrophobicContact CB-CD1 4.07Å; Q130-Y157 HydrophobicContact CB-CE1 4.37Å; Q130-Y157 HydrophobicContact CG-CD1 3.91Å; Q130-Y157 HydrophobicContact CG-CE1 4.19Å | ||
| 131 | P | 88.5 | Confident | 88.2 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 53% | 0.532 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 0.6 | -174.7 | 31.4 | -37.3 | 0 | 0 | 0 | 114.2 | F133 L146 | P131-F133 PolarHBondContact O-N 3.35Å; P131-L146 HydrophobicContact CB-CD1 3.74Å; P131-L146 HydrophobicContact CG-CD1 3.83Å; P131-L146 WeakPolarHBondContact O-CD1 3.45Å; P131-L146 WeakPolarHBondContact O-CG 3.47Å |
| 132 | Y | 92 | Very high | 88.5 | Confident | 66 Ų | 66 | 55.9 Ų | 55.9 | 26% | 0.259 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.5 | 176.9 | -66.3 | -75.5 | 0 | 0 | 0 | 114.1 | Q130 A145 L146 P147 M149 Y157 | Q130-Y132 HydrophobicContact CB-CD2 3.84Å; Q130-Y132 HydrophobicContact CB-CE2 4.49Å; Q130-Y132 PolarHBondContact O-N 2.95Å; Y132-A145 PolarHBondContact O-N 2.85Å; Y132-L146 HydrophobicContact CD1-CB 3.76Å; Y132-L146 HydrophobicContact CE1-CB 4.28Å; Y132-L146 PolarHBondContact O-N 2.91Å; Y132-P147 WeakPolarHBondContact CE1-O 3.13Å; Y132-M149 HydrophobicContact CD1-CG 3.51Å; Y132-M149 HydrophobicContact CD1-SD 4.39Å; Y132-M149 HydrophobicContact CE1-CG 4.11Å; Y132-M149 HydrophobicContact CG-CG 3.86Å; Y132-M149 HydrophobicContact CG-SD 4.31Å; Y132-Y157 AromaticContact CD2-CE1 3.95Å; Y132-Y157 HydrophobicContact CD2-CE1 3.95Å; Y132-Y157 HydrophobicContact CE2-CE1 4.27Å |
| 133 | F | 93.6 | Very high | 88.7 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 4% | 0.044 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 147.2 | -177.1 | -54.2 | -85.3 | 0 | 0 | 0 | 111.7 | V103 I126 P131 L142 K143 M149 Y157 L159 V181 | V103-F133 HydrophobicContact CG2-CD1 4.19Å; V103-F133 HydrophobicContact CG2-CE1 4.15Å; I126-F133 HydrophobicContact CD1-CB 4.19Å; I126-F133 WeakPolarHBondContact CD1-O 3.48Å; P131-F133 PolarHBondContact O-N 3.35Å; F133-L142 HydrophobicContact CB-CD1 4.1Å; F133-L142 HydrophobicContact CB-CG 4.46Å; F133-L142 HydrophobicContact CD1-CD2 4.38Å; F133-K143 WeakPolarHBondContact CA-O 3.46Å; F133-M149 HydrophobicContact CE1-CE 3.86Å; F133-M149 HydrophobicContact CE1-SD 4.31Å; F133-M149 HydrophobicContact CE2-CE 3.8Å; F133-M149 HydrophobicContact CZ-CE 3.22Å; F133-M149 HydrophobicContact CZ-SD 4.17Å; F133-Y157 HydrophobicContact CE2-CD1 4.13Å; F133-Y157 HydrophobicContact CE2-CD2 4.28Å; F133-Y157 AromaticContact CE2-CG 3.75Å; F133-Y157 HydrophobicContact CE2-CG 3.75Å; F133-Y157 HydrophobicContact CZ-CD2 4.28Å; F133-Y157 HydrophobicContact CZ-CG 4.18Å; F133-L159 HydrophobicContact CB-CD1 3.78Å; F133-L159 HydrophobicContact CD1-CD1 4.24Å; F133-L159 HydrophobicContact CD2-CD1 3.66Å; F133-L159 HydrophobicContact CD2-CD2 3.72Å; F133-L159 HydrophobicContact CD2-CG 4.19Å; F133-L159 HydrophobicContact CE2-CD1 4.24Å; F133-L159 HydrophobicContact CE2-CD2 4.29Å; F133-L159 HydrophobicContact CG-CD1 3.62Å; F133-L159 HydrophobicContact CG-CD2 4.41Å; F133-V181 HydrophobicContact CE1-CB 4.22Å; F133-V181 HydrophobicContact CE1-CG1 3.84Å; F133-V181 HydrophobicContact CE1-CG2 4.03Å; F133-V181 HydrophobicContact CZ-CB 3.88Å; F133-V181 HydrophobicContact CZ-CG1 3.77Å; F133-V181 HydrophobicContact CZ-CG2 4.01Å |
| 134 | S | 92.8 | Very high | 88.9 | Confident | 50 Ų | 50 | 55.5 Ų | 55.5 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 142.2 | 170.7 | 61.6 | 0 | 0 | 0 | 0 | 109.5 | L142 K143 | S134-L142 CarbonylContact O-C 3.51Å; S134-L142 WeakPolarHBondContact O-CA 3.33Å; S134-K143 PolarHBondContact N-O 2.81Å; S134-K143 PolarHBondContact O-N 3.08Å |
| 135 | V | 92.3 | Very high | 89 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 11% | 0.109 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.8 | 171.3 | 66.6 | 0 | 0 | 0 | 0 | 108.4 | V106 I126 P137 L142 | V106-V135 HydrophobicContact CG2-CG2 4.45Å; I126-V135 HydrophobicContact CD1-CB 4.37Å; I126-V135 HydrophobicContact CD1-CG1 4.41Å; I126-V135 HydrophobicContact CG1-CB 4.18Å; I126-V135 HydrophobicContact CG1-CG1 3.85Å; V135-P137 WeakPolarHBondContact O-CD 3.47Å; V135-L142 HydrophobicContact CB-CD1 4.14Å |
| 136 | E | 88.2 | Confident | 89 | Confident | 74 Ų | 74 | 58 Ų | 58 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | trans | -77.3 | 119.1 | 176.6 | -177 | 167.1 | -163.1 | 0 | 0 | 109.6 | K138 T139 V140 V141 K143 | E136-K138 PolarHBondContact O-N 3.1Å; E136-T139 WeakPolarHBondContact CB-OG1 3.49Å; E136-T139 VanDerWaalsContact CD-CG2 3.45Å; E136-T139 HydrophobicContact CG-CG2 4.03Å; E136-T139 WeakPolarHBondContact CG-OG1 3.17Å; E136-T139 PolarHBondContact OE2-OG1 2.75Å; E136-V140 PolarHBondContact O-N 2.81Å; E136-V141 PolarHBondContact N-O 2.9Å; E136-K143 IonicContact OE2-NZ 2.64Å; E136-K143 PolarHBondContact OE2-NZ 3.37Å | ||
| 137 | P | 83.5 | Confident | 88.7 | Confident | 63 Ų | 63 | 58.7 Ų | 58.7 | 41% | 0.409 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.7 | -167.8 | -32.6 | 38.7 | 0 | 0 | 0 | 116.6 | V123 V135 | V123-P137 HydrophobicContact CG1-CB 4.1Å; V135-P137 WeakPolarHBondContact O-CD 3.47Å |
| 138 | K | 75.4 | Confident | 88.3 | Confident | 188 Ų | 188 | 60.6 Ų | 60.6 | 82% | 0.817 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | -33.9 | -173.2 | -64.2 | -176.6 | -179.5 | 179.7 | 0 | 114.2 | E136 | E136-K138 PolarHBondContact O-N 3.1Š|
| 139 | T | 73.5 | Confident | 88.2 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 36% | 0.362 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -9.3 | -176.4 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | E136 V141 | E136-T139 WeakPolarHBondContact CB-OG1 3.49Å; E136-T139 VanDerWaalsContact CD-CG2 3.45Å; E136-T139 HydrophobicContact CG-CG2 4.03Å; E136-T139 WeakPolarHBondContact CG-OG1 3.17Å; E136-T139 PolarHBondContact OE2-OG1 2.75Å; T139-V141 WeakPolarHBondContact O-CG2 3.46Å; T139-V141 PolarHBondContact O-N 3.49Å |
| 140 | V | 82.3 | Confident | 88.5 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | trans | 68.9 | 15.6 | 171.1 | -162.5 | 0 | 0 | 0 | 0 | 112.1 | Q105 V106 A107 Y124 E136 | Q105-V140 WeakPolarHBondContact CA-O 3.31Å; Q105-V140 HydrophobicContact CG-CB 4.42Å; Q105-V140 HydrophobicContact CG-CG1 4.49Å; V106-V140 HydrophobicContact CG2-CG1 4.39Å; V106-V140 PolarHBondContact N-O 3.3Å; V106-V140 WeakPolarHBondContact O-CG1 3.17Å; A107-V140 HydrophobicContact CB-CG1 4.17Å; Y124-V140 HydrophobicContact CD1-CG1 4.47Å; Y124-V140 HydrophobicContact CD2-CG1 4.4Å; Y124-V140 HydrophobicContact CD2-CG2 4.07Å; Y124-V140 HydrophobicContact CE1-CG1 4Å; Y124-V140 HydrophobicContact CE2-CB 4.31Å; Y124-V140 HydrophobicContact CE2-CG1 3.98Å; Y124-V140 HydrophobicContact CE2-CG2 3.53Å; E136-V140 PolarHBondContact O-N 2.81Å | ||
| 141 | V | 90.8 | Very high | 89 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.3 | -178.5 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | M102 E136 T139 K143 | M102-V141 HydrophobicContact CB-CG1 4.03Å; M102-V141 HydrophobicContact CG-CG1 3.47Å; M102-V141 VanDerWaalsContact CG-CG1 3.47Å; M102-V141 HydrophobicContact SD-CG1 3.78Å; E136-V141 PolarHBondContact N-O 2.9Å; T139-V141 WeakPolarHBondContact O-CG2 3.46Å; T139-V141 PolarHBondContact O-N 3.49Å; V141-K143 HydrophobicContact CG1-CD 4.48Å; V141-K143 HydrophobicContact CG1-CG 3.82Å |
| 142 | L | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.8 | 166.8 | -170.1 | 75.4 | 0 | 0 | 0 | 109.3 | V103 V104 I126 F133 S134 V135 L159 I161 V179 V181 | V103-L142 HydrophobicContact CB-CB 4.48Å; V103-L142 HydrophobicContact CB-CD2 4.18Å; V103-L142 HydrophobicContact CB-CG 4.42Å; V103-L142 HydrophobicContact CG1-CD2 4.15Å; V103-L142 PolarHBondContact N-O 3.24Å; V104-L142 HydrophobicContact CG1-CB 4.11Å; V104-L142 HydrophobicContact CG1-CD2 4.01Å; V104-L142 WeakPolarHBondContact O-CB 3.43Å; V104-L142 PolarHBondContact O-N 3.21Å; I126-L142 HydrophobicContact CD1-CD1 3.83Å; I126-L142 HydrophobicContact CG1-CD1 4.47Å; F133-L142 HydrophobicContact CB-CD1 4.1Å; F133-L142 HydrophobicContact CB-CG 4.46Å; F133-L142 HydrophobicContact CD1-CD2 4.38Å; S134-L142 CarbonylContact O-C 3.51Å; S134-L142 WeakPolarHBondContact O-CA 3.33Å; V135-L142 HydrophobicContact CB-CD1 4.14Å; L142-L159 HydrophobicContact CD1-CD1 4.16Å; L142-L159 HydrophobicContact CD2-CD1 3.66Å; L142-L159 HydrophobicContact CG-CD1 4.5Å; L142-I161 HydrophobicContact CD1-CD1 4.23Å; L142-V179 HydrophobicContact CD2-CG1 4.25Å; L142-V181 HydrophobicContact CD2-CG2 4.29Å |
| 143 | K | 93.5 | Very high | 89.3 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 157 | -177.6 | -59.1 | -179.7 | -169.4 | 167.2 | 0 | 112 | T101 F133 S134 E136 V141 A145 | T101-K143 WeakPolarHBondContact O-CA 3.3Å; F133-K143 WeakPolarHBondContact CA-O 3.46Å; S134-K143 PolarHBondContact N-O 2.81Å; S134-K143 PolarHBondContact O-N 3.08Å; E136-K143 IonicContact OE2-NZ 2.64Å; E136-K143 PolarHBondContact OE2-NZ 3.37Å; V141-K143 HydrophobicContact CG1-CD 4.48Å; V141-K143 HydrophobicContact CG1-CG 3.82Å; K143-A145 PolarHBondContact O-N 2.81Å |
| 144 | I | 94.3 | Very high | 89.3 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 128.1 | 170.8 | -59 | -177.3 | 0 | 0 | 0 | 110.2 | V93 L99 G100 T101 V103 L146 M149 | V93-I144 HydrophobicContact CG2-CD1 3.95Å; L99-I144 HydrophobicContact CD2-CG2 4.34Å; G100-I144 PolarHBondContact N-O 2.82Å; T101-I144 PolarHBondContact O-N 2.88Å; V103-I144 HydrophobicContact CG2-CG1 4.07Å; I144-L146 VanDerWaalsContact CG2-O 3.25Å; I144-L146 WeakPolarHBondContact CG2-O 3.41Å; I144-M149 HydrophobicContact CG2-SD 4.41Å |
| 145 | A | 92.7 | Very high | 89.3 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 33% | 0.331 | 32% | 0.317 | S | S | . | . | trans | -110.3 | -27.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y132 K143 | Y132-A145 PolarHBondContact O-N 2.85Å; K143-A145 PolarHBondContact O-N 2.81Å | ||
| 146 | L | 91.3 | Very high | 89.5 | Confident | 72 Ų | 72 | 63.2 Ų | 63.2 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -128.5 | 148.1 | 177.5 | -64.2 | 175.5 | 0 | 0 | 0 | 111 | L99 P131 Y132 I144 | L99-L146 VanDerWaalsContact CD2-C 3.49Å; P131-L146 HydrophobicContact CB-CD1 3.74Å; P131-L146 HydrophobicContact CG-CD1 3.83Å; P131-L146 WeakPolarHBondContact O-CD1 3.45Å; P131-L146 WeakPolarHBondContact O-CG 3.47Å; Y132-L146 HydrophobicContact CD1-CB 3.76Å; Y132-L146 HydrophobicContact CE1-CB 4.28Å; Y132-L146 PolarHBondContact O-N 2.91Å; I144-L146 VanDerWaalsContact CG2-O 3.25Å; I144-L146 WeakPolarHBondContact CG2-O 3.41Å |
| 147 | P | 87.8 | Confident | 89.8 | Confident | 63 Ų | 63 | 60.2 Ų | 60.2 | 41% | 0.409 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -80.9 | -178.7 | 179.1 | 36.2 | -35.3 | 0 | 0 | 0 | 111.3 | L99 Y132 M149 | L99-P147 HydrophobicContact CD2-CB 4.23Å; Y132-P147 WeakPolarHBondContact CE1-O 3.13Å; P147-M149 PolarHBondContact O-N 3.48Å |
| 148 | N | 84.4 | Confident | 90.3 | Very high | 129 Ų | 129 | 60.8 Ų | 60.8 | 69% | 0.69 | 32% | 0.319 | S | S | * | . | trans | 62.7 | 39.3 | 172.1 | -47.6 | -21.9 | 0 | 0 | 0 | 113.5 | ||||
| 149 | M | 91.6 | Very high | 91.2 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | trans | -75 | 126.4 | 159.6 | -65.9 | -178.3 | 75.1 | 0 | 0 | 107.5 | M96 Y132 F133 I144 P147 Y157 L183 | M96-M149 PolarHBondContact N-O 3.2Å; Y132-M149 HydrophobicContact CD1-CG 3.51Å; Y132-M149 HydrophobicContact CD1-SD 4.39Å; Y132-M149 HydrophobicContact CE1-CG 4.11Å; Y132-M149 HydrophobicContact CG-CG 3.86Å; Y132-M149 HydrophobicContact CG-SD 4.31Å; F133-M149 HydrophobicContact CE1-CE 3.86Å; F133-M149 HydrophobicContact CE1-SD 4.31Å; F133-M149 HydrophobicContact CE2-CE 3.8Å; F133-M149 HydrophobicContact CZ-CE 3.22Å; F133-M149 HydrophobicContact CZ-SD 4.17Å; I144-M149 HydrophobicContact CG2-SD 4.41Å; P147-M149 PolarHBondContact O-N 3.48Å; M149-Y157 HydrophobicContact CE-CD2 3.85Å; M149-Y157 HydrophobicContact CE-CE2 3.68Å; M149-Y157 HydrophobicContact CE-CG 4.5Å; M149-L183 HydrophobicContact CB-CD1 4.01Å; M149-L183 HydrophobicContact CB-CD2 4.47Å; M149-L183 HydrophobicContact CE-CD1 4.28Å; M149-L183 HydrophobicContact CE-CD2 3.6Å; M149-L183 HydrophobicContact CE-CG 4.29Å | ||
| 150 | D | 92.3 | Very high | 92.2 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | trans | -134.1 | 125.2 | -172.3 | 157.6 | -5.4 | 0 | 0 | 0 | 106.8 | E95 E152 T153 K154 | E95-D150 WeakPolarHBondContact OE2-CA 3.45Å; D150-E152 WeakPolarHBondContact OD1-CA 3.26Å; D150-E152 WeakPolarHBondContact OD1-CB 3.49Å; D150-E152 PolarHBondContact OD1-N 3.25Å; D150-T153 PolarHBondContact OD1-N 3.33Å; D150-T153 PolarHBondContact OD2-OG1 3.34Å; D150-K154 PolarHBondContact O-N 3.32Å | ||
| 151 | R | 95.2 | Very high | 92.8 | Very high | 34 Ų | 34 | 50 Ų | 50 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -38.1 | -175.6 | -172.8 | -143.5 | 65.2 | 79.3 | -2.7 | 111 | E95 T153 K154 D155 L183 D185 A220 | E95-R151 HydrophobicContact CB-CB 4.4Å; E95-R151 WeakPolarHBondContact OE1-CB 3.22Å; E95-R151 VanDerWaalsContact OE2-CB 3.3Å; E95-R151 WeakPolarHBondContact OE2-CB 3.17Å; E95-R151 PolarHBondContact OE2-N 3.07Å; R151-T153 PolarHBondContact O-N 3.37Å; R151-K154 CarbonylContact O-C 3.58Å; R151-K154 PolarHBondContact O-N 3.29Å; R151-D155 HydrophobicContact CG-CB 3.82Å; R151-D155 PolarHBondContact O-N 2.98Å; R151-L183 HydrophobicContact CB-CB 4.03Å; R151-L183 HydrophobicContact CB-CD1 4.4Å; R151-L183 HydrophobicContact CG-CB 4.06Å; R151-D185 WeakPolarHBondContact CD-OD1 3.04Å; R151-D185 IonicContact CZ-OD1 3.49Å; R151-D185 IonicContact NE-OD1 3.1Å; R151-D185 PolarHBondContact NE-OD1 3.05Å; R151-D185 IonicContact NH2-OD1 2.64Å; R151-A220 PolarHBondContact NH2-O 3.26Å |
| 152 | E | 94.4 | Very high | 92.9 | Very high | 53 Ų | 53 | 51 Ų | 51 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -32.8 | 176 | -68.4 | 58.4 | -121 | 0 | 0 | 111.1 | D150 A220 | D150-E152 WeakPolarHBondContact OD1-CA 3.26Å; D150-E152 WeakPolarHBondContact OD1-CB 3.49Å; D150-E152 PolarHBondContact OD1-N 3.25Å; E152-A220 HydrophobicContact CG-CB 3.77Å |
| 153 | T | 93.3 | Very high | 92.9 | Very high | 114 Ų | 114 | 51 Ų | 51 | 70% | 0.699 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -49.9 | 171.7 | -64.9 | 0 | 0 | 0 | 0 | 112 | D150 R151 | D150-T153 PolarHBondContact OD1-N 3.33Å; D150-T153 PolarHBondContact OD2-OG1 3.34Å; R151-T153 PolarHBondContact O-N 3.37Å |
| 154 | K | 92.8 | Very high | 92.8 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 41% | 0.409 | 27% | 0.271 | S | S | . | . | trans | -158.8 | 113.4 | -179.4 | -176.1 | 170.6 | -179.6 | 170.1 | 0 | 112.4 | D150 R151 Q156 Y157 L183 | D150-K154 PolarHBondContact O-N 3.32Å; R151-K154 CarbonylContact O-C 3.58Å; R151-K154 PolarHBondContact O-N 3.29Å; K154-Q156 WeakPolarHBondContact CE-O 3.48Å; K154-Y157 HydrophobicContact CD-CD1 4.49Å; K154-Y157 HydrophobicContact CD-CE1 3.94Å; K154-Y157 HydrophobicContact CG-CE1 4.41Å; K154-Y157 HydrophobicContact CG-CE2 4.32Å; K154-Y157 WeakPolarHBondContact O-CE2 3.32Å; K154-Y157 PolarHBondContact O-OH 3.25Å; K154-L183 WeakPolarHBondContact O-CD1 3.42Å | ||
| 155 | D | 94.4 | Very high | 92.6 | Very high | 92 Ų | 92 | 50.3 Ų | 50.3 | 49% | 0.492 | 27% | 0.27 | S | S | . | . | trans | -83.7 | -19.4 | -174.2 | 65.3 | -10.1 | 0 | 0 | 0 | 115.4 | R151 T182 L183 | R151-D155 HydrophobicContact CG-CB 3.82Å; R151-D155 PolarHBondContact O-N 2.98Å; D155-T182 CarbonylContact O-C 3.26Å; D155-T182 WeakPolarHBondContact O-CA 3.26Å; D155-L183 PolarHBondContact O-N 3.38Å | ||
| 156 | Q | 94.9 | Very high | 92.3 | Very high | 90 Ų | 90 | 50.6 Ų | 50.6 | 42% | 0.421 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.1 | -174.1 | -167.9 | 176.9 | 72.4 | 0 | 0 | 114 | K154 T180 V181 T182 | K154-Q156 WeakPolarHBondContact CE-O 3.48Å; Q156-T180 VanDerWaalsContact CD-CG2 3.45Å; Q156-T180 HydrophobicContact CG-CG2 3.59Å; Q156-V181 WeakPolarHBondContact CA-O 3.43Å; Q156-T182 HydrophobicContact CG-CG2 4.26Å |
| 157 | Y | 94.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.4 | 177.2 | -61.6 | -95.7 | 0 | 0 | 0 | 110.5 | Q130 Y132 F133 M149 K154 T180 V181 L183 | Q130-Y157 HydrophobicContact CB-CD1 4.07Å; Q130-Y157 HydrophobicContact CB-CE1 4.37Å; Q130-Y157 HydrophobicContact CG-CD1 3.91Å; Q130-Y157 HydrophobicContact CG-CE1 4.19Å; Y132-Y157 AromaticContact CD2-CE1 3.95Å; Y132-Y157 HydrophobicContact CD2-CE1 3.95Å; Y132-Y157 HydrophobicContact CE2-CE1 4.27Å; F133-Y157 HydrophobicContact CE2-CD1 4.13Å; F133-Y157 HydrophobicContact CE2-CD2 4.28Å; F133-Y157 AromaticContact CE2-CG 3.75Å; F133-Y157 HydrophobicContact CE2-CG 3.75Å; F133-Y157 HydrophobicContact CZ-CD2 4.28Å; F133-Y157 HydrophobicContact CZ-CG 4.18Å; M149-Y157 HydrophobicContact CE-CD2 3.85Å; M149-Y157 HydrophobicContact CE-CE2 3.68Å; M149-Y157 HydrophobicContact CE-CG 4.5Å; K154-Y157 HydrophobicContact CD-CD1 4.49Å; K154-Y157 HydrophobicContact CD-CE1 3.94Å; K154-Y157 HydrophobicContact CG-CE1 4.41Å; K154-Y157 HydrophobicContact CG-CE2 4.32Å; K154-Y157 WeakPolarHBondContact O-CE2 3.32Å; K154-Y157 PolarHBondContact O-OH 3.25Å; Y157-T180 WeakPolarHBondContact O-CA 3.19Å; Y157-V181 PolarHBondContact N-O 3.05Å; Y157-V181 PolarHBondContact O-N 2.77Å; Y157-L183 HydrophobicContact CD2-CG 4.48Å; Y157-L183 HydrophobicContact CE2-CD1 3.87Å; Y157-L183 HydrophobicContact CE2-CG 4.08Å |
| 158 | V | 94.9 | Very high | 91.6 | Very high | 74 Ų | 74 | 49 Ų | 49 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122.2 | 175.2 | -177 | 0 | 0 | 0 | 0 | 109.1 | T180 | V158-T180 HydrophobicContact CG2-CG2 4.33Å |
| 159 | L | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 142.5 | 179.8 | -51.6 | 172.4 | 0 | 0 | 0 | 109.3 | H128 F133 L142 S178 V179 V181 | H128-L159 CarbonylContact O-C 3.55Å; H128-L159 WeakPolarHBondContact O-CA 3.33Å; F133-L159 HydrophobicContact CB-CD1 3.78Å; F133-L159 HydrophobicContact CD1-CD1 4.24Å; F133-L159 HydrophobicContact CD2-CD1 3.66Å; F133-L159 HydrophobicContact CD2-CD2 3.72Å; F133-L159 HydrophobicContact CD2-CG 4.19Å; F133-L159 HydrophobicContact CE2-CD1 4.24Å; F133-L159 HydrophobicContact CE2-CD2 4.29Å; F133-L159 HydrophobicContact CG-CD1 3.62Å; F133-L159 HydrophobicContact CG-CD2 4.41Å; L142-L159 HydrophobicContact CD1-CD1 4.16Å; L142-L159 HydrophobicContact CD2-CD1 3.66Å; L142-L159 HydrophobicContact CG-CD1 4.5Å; L159-S178 CarbonylContact O-C 3.58Å; L159-S178 VanDerWaalsContact O-CA 3.31Å; L159-S178 WeakPolarHBondContact O-CA 3.26Å; L159-V179 HydrophobicContact CB-CB 4.41Å; L159-V179 PolarHBondContact N-O 2.87Å; L159-V179 PolarHBondContact O-N 2.79Å; L159-V181 HydrophobicContact CD1-CG2 4.11Å |
| 160 | V | 94.7 | Very high | 90.9 | Very high | 39 Ų | 39 | 57.8 Ų | 57.8 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.6 | 169.3 | -174 | 0 | 0 | 0 | 0 | 108 | I127 H128 T176 T177 | I127-V160 HydrophobicContact CD1-CG1 3.81Å; I127-V160 HydrophobicContact CG1-CB 4.03Å; I127-V160 HydrophobicContact CG1-CG1 3.82Å; I127-V160 WeakPolarHBondContact CG1-O 3.27Å; I127-V160 PolarHBondContact N-O 2.97Å; H128-V160 HydrophobicContact CB-CB 3.96Å; H128-V160 HydrophobicContact CB-CG2 3.95Å; H128-V160 PolarHBondContact O-N 2.85Å; V160-T176 HydrophobicContact CG1-CG2 4.5Å; V160-T177 WeakPolarHBondContact CA-O 3.35Å |
| 161 | I | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.3 | -179.9 | -57 | -173.9 | 0 | 0 | 0 | 108.1 | F84 V106 Y124 S125 L142 T176 T177 V179 | F84-I161 HydrophobicContact CE1-CG2 4.48Å; F84-I161 HydrophobicContact CZ-CG2 4.13Å; V106-I161 HydrophobicContact CB-CD1 4.36Å; V106-I161 HydrophobicContact CG1-CD1 4.16Å; V106-I161 HydrophobicContact CG2-CD1 3.72Å; V106-I161 HydrophobicContact CG2-CG2 4.34Å; Y124-I161 HydrophobicContact CD1-CG2 4.34Å; S125-I161 WeakPolarHBondContact O-CA 3.38Å; L142-I161 HydrophobicContact CD1-CD1 4.23Å; I161-T176 CarbonylContact O-C 3.23Å; I161-T176 VanDerWaalsContact O-CA 3.27Å; I161-T176 WeakPolarHBondContact O-CA 3.44Å; I161-T177 HydrophobicContact CB-CG2 4.19Å; I161-T177 PolarHBondContact N-O 2.99Å; I161-T177 PolarHBondContact O-N 3.49Å; I161-V179 HydrophobicContact CD1-CB 4.38Å; I161-V179 HydrophobicContact CD1-CG2 3.36Å; I161-V179 HydrophobicContact CG1-CG2 3.92Å |
| 162 | Q | 93.1 | Very high | 89.8 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 19% | 0.187 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.5 | 173.7 | -175.2 | 177.1 | 63.2 | 0 | 0 | 109.5 | Y124 S125 I127 S174 G175 T176 | Y124-Q162 CarbonylContact C-O 3.45Å; Y124-Q162 WeakPolarHBondContact CA-O 3.31Å; S125-Q162 PolarHBondContact N-O 3.05Å; S125-Q162 PolarHBondContact O-N 2.87Å; I127-Q162 HydrophobicContact CD1-CB 4.16Å; I127-Q162 HydrophobicContact CG1-CB 4.22Å; I127-Q162 HydrophobicContact CG2-CB 3.66Å; I127-Q162 HydrophobicContact CG2-CG 4.44Å; Q162-S174 PolarHBondContact NE2-OG 3.11Å; Q162-G175 WeakPolarHBondContact CA-O 3.39Å; Q162-T176 HydrophobicContact CB-CG2 4.21Å; Q162-T176 HydrophobicContact CG-CG2 4.19Å |
| 163 | A | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 118.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | P82 F84 A108 V122 Y124 S174 G175 | P82-A163 HydrophobicContact CB-CB 3.79Å; F84-A163 HydrophobicContact CE1-CB 4.3Å; F84-A163 HydrophobicContact CE2-CB 3.57Å; F84-A163 HydrophobicContact CZ-CB 3.43Å; F84-A163 VanDerWaalsContact CZ-CB 3.43Å; A108-A163 HydrophobicContact CB-CB 3.51Å; V122-A163 HydrophobicContact CG1-CB 3.51Å; Y124-A163 HydrophobicContact CD1-CB 4.11Å; Y124-A163 HydrophobicContact CE1-CB 3.91Å; A163-S174 CarbonylContact O-C 3.54Å; A163-S174 WeakPolarHBondContact O-CA 3.37Å; A163-G175 PolarHBondContact N-O 3.25Å; A163-G175 PolarHBondContact O-N 3.13Å |
| 164 | K | 91.6 | Very high | 89.6 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 22% | 0.222 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.8 | -179.7 | -169.4 | 175.4 | 175.3 | -161.4 | 0 | 110.5 | V122 V123 G168 Q169 L173 | V122-K164 CarbonylContact C-O 3.29Å; V122-K164 WeakPolarHBondContact CA-O 3.21Å; V123-K164 PolarHBondContact N-O 2.78Å; V123-K164 PolarHBondContact O-N 3.47Å; K164-G168 PolarHBondContact NZ-O 3.16Å; K164-Q169 VanDerWaalsContact CE-O 3.23Å; K164-Q169 WeakPolarHBondContact CE-O 3.46Å; K164-Q169 PolarHBondContact NZ-O 3.3Å; K164-L173 WeakPolarHBondContact CA-O 3.48Å |
| 165 | D | 90.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -73.4 | -174.6 | -179.4 | 76.5 | 13.6 | 0 | 0 | 0 | 111.6 | N78 P82 S119 R121 V167 G168 G172 L173 | N78-D165 PolarHBondContact ND2-OD2 2.8Å; N78-D165 PolarHBondContact OD1-OD2 2.86Å; P82-D165 HydrophobicContact CG-CB 3.75Å; S119-D165 VanDerWaalsContact O-CB 3.3Å; S119-D165 WeakPolarHBondContact O-CB 3.43Å; R121-D165 CarbonylContact O-C 3.57Å; D165-V167 PolarHBondContact O-N 2.86Å; D165-G168 PolarHBondContact O-N 3.36Å; D165-G172 WeakPolarHBondContact OD1-CA 3.45Å; D165-L173 PolarHBondContact N-O 3.45Å; D165-L173 PolarHBondContact OD1-N 2.82Å; D165-L173 WeakPolarHBondContact OD2-CA 3.06Å; D165-L173 WeakPolarHBondContact OD2-CB 3.4Å; D165-L173 PolarHBondContact OD2-N 2.8Å |
| 166 | M | 85.7 | Confident | 89.6 | Confident | 45 Ų | 45 | 50.2 Ų | 50.2 | 22% | 0.222 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | 51.7 | 32.7 | 179.5 | -67.6 | -164 | 158 | 0 | 0 | 114.2 | N78 N118 S119 R121 G168 Q169 | N78-M166 HydrophobicContact CB-CE 3.35Å; N118-M166 WeakPolarHBondContact O-CA 3.45Å; N118-M166 PolarHBondContact O-N 2.78Å; S119-M166 PolarHBondContact O-N 2.85Å; R121-M166 PolarHBondContact O-N 2.86Å; M166-G168 PolarHBondContact O-N 3.17Å; M166-G168 VanDerWaalsContact O-N 3.14Å; M166-Q169 HydrophobicContact CB-CB 4.43Å; M166-Q169 WeakPolarHBondContact O-CB 3.09Å; M166-Q169 VanDerWaalsContact O-CG 3.27Å; M166-Q169 WeakPolarHBondContact O-CG 3.3Å; M166-Q169 PolarHBondContact O-N 3.24Å; M166-Q169 VanDerWaalsContact O-N 3.13Å |
| 167 | V | 83.9 | Confident | 89.5 | Confident | 71 Ų | 71 | 46.6 Ų | 46.6 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | 55.8 | 29.3 | -175.7 | -157.6 | 0 | 0 | 0 | 0 | 112.3 | N118 R121 V123 D165 | N118-V167 HydrophobicContact CB-CG2 3.79Å; R121-V167 HydrophobicContact CB-CG2 4.05Å; R121-V167 PolarHBondContact O-N 2.93Å; V123-V167 HydrophobicContact CG2-CB 4.43Å; V123-V167 HydrophobicContact CG2-CG1 3.87Å; D165-V167 PolarHBondContact O-N 2.86Å |
| 168 | G | 80.2 | Confident | 89.5 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | 79.8 | 8.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K164 D165 M166 | K164-G168 PolarHBondContact NZ-O 3.16Å; D165-G168 PolarHBondContact O-N 3.36Å; M166-G168 PolarHBondContact O-N 3.17Å; M166-G168 VanDerWaalsContact O-N 3.14Å |
| 169 | Q | 83.8 | Confident | 89.5 | Confident | 122 Ų | 122 | 44.7 Ų | 44.7 | 57% | 0.57 | 27% | 0.269 | S | S | * | . | trans | -66 | 166.4 | -176.9 | -69.6 | -176.7 | 4.7 | 0 | 0 | 113.9 | K164 M166 G171 G172 | K164-Q169 VanDerWaalsContact CE-O 3.23Å; K164-Q169 WeakPolarHBondContact CE-O 3.46Å; K164-Q169 PolarHBondContact NZ-O 3.3Å; M166-Q169 HydrophobicContact CB-CB 4.43Å; M166-Q169 WeakPolarHBondContact O-CB 3.09Å; M166-Q169 VanDerWaalsContact O-CG 3.27Å; M166-Q169 WeakPolarHBondContact O-CG 3.3Å; M166-Q169 PolarHBondContact O-N 3.24Å; M166-Q169 VanDerWaalsContact O-N 3.13Å; Q169-G171 PolarHBondContact O-N 3.34Å; Q169-G172 PolarHBondContact O-N 2.83Å | ||
| 170 | M | 77.3 | Confident | 89.6 | Confident | 200 Ų | 200 | 45.9 Ų | 45.9 | 99% | 0.985 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 117.1 | 177 | -165.9 | 173.3 | -169.2 | 0 | 0 | 109.2 | ||
| 171 | G | 78.5 | Confident | 89.7 | Confident | 64 Ų | 64 | 44 Ų | 44 | 66% | 0.66 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.9 | -14.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q169 | Q169-G171 PolarHBondContact O-N 3.34Š|
| 172 | G | 85.9 | Confident | 89.8 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 17% | 0.165 | 28% | 0.282 | C | S | . | . | trans | -76 | 148.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D165 Q169 | D165-G172 WeakPolarHBondContact OD1-CA 3.45Å; Q169-G172 PolarHBondContact O-N 2.83Å | ||
| 173 | L | 91.1 | Very high | 89.9 | Confident | 64 Ų | 64 | 45.5 Ų | 45.5 | 34% | 0.335 | 28% | 0.276 | S | S | . | . | trans | -83.4 | 159.2 | 175.8 | -53.3 | 172.9 | 0 | 0 | 0 | 110.8 | E81 K164 D165 | E81-L173 HydrophobicContact CB-CB 3.74Å; E81-L173 HydrophobicContact CB-CD1 4.31Å; K164-L173 WeakPolarHBondContact CA-O 3.48Å; D165-L173 PolarHBondContact N-O 3.45Å; D165-L173 PolarHBondContact OD1-N 2.82Å; D165-L173 WeakPolarHBondContact OD2-CA 3.06Å; D165-L173 WeakPolarHBondContact OD2-CB 3.4Å; D165-L173 PolarHBondContact OD2-N 2.8Å | ||
| 174 | S | 92.9 | Very high | 89.9 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 128.4 | -174.4 | 69.9 | 0 | 0 | 0 | 0 | 113.2 | Q162 A163 | Q162-S174 PolarHBondContact NE2-OG 3.11Å; A163-S174 CarbonylContact O-C 3.54Å; A163-S174 WeakPolarHBondContact O-CA 3.37Å |
| 175 | G | 92.8 | Very high | 90 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 9% | 0.093 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 153.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P82 Q162 A163 | P82-G175 VanDerWaalsContact O-CA 3.3Å; P82-G175 WeakPolarHBondContact O-CA 3.38Å; Q162-G175 WeakPolarHBondContact CA-O 3.39Å; A163-G175 PolarHBondContact N-O 3.25Å; A163-G175 PolarHBondContact O-N 3.13Å |
| 176 | T | 94.1 | Very high | 89.9 | Confident | 83 Ų | 83 | 48.5 Ų | 48.5 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146 | 176.5 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | I127 V160 I161 Q162 | I127-T176 HydrophobicContact CD1-CG2 3.82Å; V160-T176 HydrophobicContact CG1-CG2 4.5Å; I161-T176 CarbonylContact O-C 3.23Å; I161-T176 VanDerWaalsContact O-CA 3.27Å; I161-T176 WeakPolarHBondContact O-CA 3.44Å; Q162-T176 HydrophobicContact CB-CG2 4.21Å; Q162-T176 HydrophobicContact CG-CG2 4.19Å |
| 177 | T | 94.4 | Very high | 90.1 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 9% | 0.086 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 154.5 | 171.7 | -169.7 | 0 | 0 | 0 | 0 | 110.5 | F84 G87 Y89 V160 I161 | F84-T177 HydrophobicContact CB-CG2 4.36Å; F84-T177 HydrophobicContact CD1-CG2 3.54Å; F84-T177 HydrophobicContact CD2-CG2 3.73Å; F84-T177 HydrophobicContact CE1-CG2 3.57Å; F84-T177 HydrophobicContact CE2-CG2 3.76Å; F84-T177 HydrophobicContact CG-CG2 3.61Å; F84-T177 HydrophobicContact CZ-CG2 3.67Å; G87-T177 WeakPolarHBondContact CA-OG1 3.36Å; Y89-T177 HydrophobicContact CD2-CG2 4.01Å; Y89-T177 HydrophobicContact CE2-CG2 3.89Å; V160-T177 WeakPolarHBondContact CA-O 3.35Å; I161-T177 HydrophobicContact CB-CG2 4.19Å; I161-T177 PolarHBondContact N-O 2.99Å; I161-T177 PolarHBondContact O-N 3.49Å |
| 178 | S | 94.6 | Very high | 90.2 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139.1 | 172.7 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | P88 Y89 L159 | P88-S178 WeakPolarHBondContact CB-OG 3.43Å; Y89-S178 PolarHBondContact N-O 2.99Å; L159-S178 CarbonylContact O-C 3.58Å; L159-S178 VanDerWaalsContact O-CA 3.31Å; L159-S178 WeakPolarHBondContact O-CA 3.26Å |
| 179 | V | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.2 | 169.7 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | Y89 V104 V106 L142 L159 I161 V181 | Y89-V179 HydrophobicContact CD2-CG2 4.25Å; Y89-V179 HydrophobicContact CG-CG2 4.49Å; Y89-V179 WeakPolarHBondContact O-CA 3.35Å; V104-V179 HydrophobicContact CG1-CG1 3.85Å; V106-V179 HydrophobicContact CG1-CG2 3.94Å; L142-V179 HydrophobicContact CD2-CG1 4.25Å; L159-V179 HydrophobicContact CB-CB 4.41Å; L159-V179 PolarHBondContact N-O 2.87Å; L159-V179 PolarHBondContact O-N 2.79Å; I161-V179 HydrophobicContact CD1-CB 4.38Å; I161-V179 HydrophobicContact CD1-CG2 3.36Å; I161-V179 HydrophobicContact CG1-CG2 3.92Å; V179-V181 HydrophobicContact CG1-CG2 4.06Å |
| 180 | T | 96.1 | Very high | 90.9 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 15% | 0.153 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 114.5 | 172.9 | -59.3 | 0 | 0 | 0 | 0 | 108.6 | Y89 L90 A91 Q156 Y157 V158 | Y89-T180 PolarHBondContact O-N 3.45Å; L90-T180 HydrophobicContact CD2-CG2 4.43Å; A91-T180 PolarHBondContact N-O 3.12Å; Q156-T180 VanDerWaalsContact CD-CG2 3.45Å; Q156-T180 HydrophobicContact CG-CG2 3.59Å; Y157-T180 WeakPolarHBondContact O-CA 3.19Å; V158-T180 HydrophobicContact CG2-CG2 4.33Å |
| 181 | V | 95.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.5 | 178.1 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | A91 V93 V103 F133 L142 Q156 Y157 L159 V179 | A91-V181 CarbonylContact O-C 3.55Å; A91-V181 WeakPolarHBondContact O-CA 3.3Å; V93-V181 HydrophobicContact CG1-CG1 3.76Å; V103-V181 HydrophobicContact CG1-CG1 3.9Å; V103-V181 HydrophobicContact CG1-CG2 3.97Å; F133-V181 HydrophobicContact CE1-CB 4.22Å; F133-V181 HydrophobicContact CE1-CG1 3.84Å; F133-V181 HydrophobicContact CE1-CG2 4.03Å; F133-V181 HydrophobicContact CZ-CB 3.88Å; F133-V181 HydrophobicContact CZ-CG1 3.77Å; F133-V181 HydrophobicContact CZ-CG2 4.01Å; L142-V181 HydrophobicContact CD2-CG2 4.29Å; Q156-V181 WeakPolarHBondContact CA-O 3.43Å; Y157-V181 PolarHBondContact N-O 3.05Å; Y157-V181 PolarHBondContact O-N 2.77Å; L159-V181 HydrophobicContact CD1-CG2 4.11Å; V179-V181 HydrophobicContact CG1-CG2 4.06Å |
| 182 | T | 96.1 | Very high | 92.4 | Very high | 58 Ų | 58 | 33 Ų | 33 | 36% | 0.356 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128.7 | 172.1 | 52.7 | 0 | 0 | 0 | 0 | 109.6 | A91 G92 V93 D155 Q156 | A91-T182 PolarHBondContact O-N 3.32Å; A91-T182 PolarHBondContact O-OG1 2.86Å; G92-T182 VanDerWaalsContact CA-O 3.31Å; G92-T182 WeakPolarHBondContact CA-O 3.23Å; V93-T182 PolarHBondContact N-O 3.2Å; V93-T182 VanDerWaalsContact N-O 3.1Å; D155-T182 CarbonylContact O-C 3.26Å; D155-T182 WeakPolarHBondContact O-CA 3.26Å; Q156-T182 HydrophobicContact CG-CG2 4.26Å |
| 183 | L | 95.6 | Very high | 92.9 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 129.2 | 171.1 | -66.3 | -172.4 | 0 | 0 | 0 | 109.7 | V93 E95 M149 R151 K154 D155 Y157 | V93-L183 HydrophobicContact CG1-CD2 3.63Å; V93-L183 CarbonylContact O-C 3.59Å; V93-L183 VanDerWaalsContact O-CA 3.27Å; V93-L183 WeakPolarHBondContact O-CA 3.3Å; E95-L183 HydrophobicContact CB-CD1 4.2Å; M149-L183 HydrophobicContact CB-CD1 4.01Å; M149-L183 HydrophobicContact CB-CD2 4.47Å; M149-L183 HydrophobicContact CE-CD1 4.28Å; M149-L183 HydrophobicContact CE-CD2 3.6Å; M149-L183 HydrophobicContact CE-CG 4.29Å; R151-L183 HydrophobicContact CB-CB 4.03Å; R151-L183 HydrophobicContact CB-CD1 4.4Å; R151-L183 HydrophobicContact CG-CB 4.06Å; K154-L183 WeakPolarHBondContact O-CD1 3.42Å; D155-L183 PolarHBondContact O-N 3.38Å; Y157-L183 HydrophobicContact CD2-CG 4.48Å; Y157-L183 HydrophobicContact CE2-CD1 3.87Å; Y157-L183 HydrophobicContact CE2-CG 4.08Å |
| 184 | T | 93.7 | Very high | 93.1 | Very high | 65 Ų | 65 | 34 Ų | 34 | 40% | 0.399 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 136.2 | 169.6 | 61.4 | 0 | 0 | 0 | 0 | 109.1 | V93 P94 E95 | V93-T184 PolarHBondContact O-N 3.09Å; P94-T184 WeakPolarHBondContact CA-O 3.1Å; P94-T184 WeakPolarHBondContact CA-OG1 3.24Å; E95-T184 PolarHBondContact N-O 2.96Å; E95-T184 VanDerWaalsContact N-O 3.1Å |
| 185 | D | 92.3 | Very high | 93.2 | Very high | 29 Ų | 29 | 37.3 Ų | 37.3 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 140.5 | -176.4 | -164.3 | 73.1 | 0 | 0 | 0 | 112.8 | E95 R151 I222 N225 | E95-D185 WeakPolarHBondContact OE1-CA 3.3Å; R151-D185 WeakPolarHBondContact CD-OD1 3.04Å; R151-D185 IonicContact CZ-OD1 3.49Å; R151-D185 IonicContact NE-OD1 3.1Å; R151-D185 PolarHBondContact NE-OD1 3.05Å; R151-D185 IonicContact NH2-OD1 2.64Å; D185-I222 HydrophobicContact CB-CD1 4.11Å; D185-I222 HydrophobicContact CB-CG1 3.54Å; D185-I222 VanDerWaalsContact CG-CG1 3.4Å; D185-I222 WeakPolarHBondContact OD1-CG1 3.3Å; D185-I222 PolarHBondContact OD1-N 2.72Å; D185-I222 PolarHBondContact OD2-N 3.05Å; D185-N225 VanDerWaalsContact OD2-CB 3.29Å; D185-N225 WeakPolarHBondContact OD2-CB 3.4Å; D185-N225 PolarHBondContact OD2-ND2 2.69Å |
| 186 | V | 89.3 | Confident | 93.3 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 12% | 0.121 | 25% | 0.251 | C | S | . | . | trans | -126.1 | 144.1 | 172.6 | 174.4 | 0 | 0 | 0 | 0 | 108 | P94 E95 D188 F283 | P94-V186 HydrophobicContact CB-CG2 3.94Å; E95-V186 HydrophobicContact CG-CB 3.77Å; E95-V186 HydrophobicContact CG-CG2 3.83Å; E95-V186 PolarHBondContact OE1-N 2.81Å; V186-D188 VanDerWaalsContact C-N 3.29Å; V186-D188 PolarHBondContact O-N 3.08Å; V186-F283 HydrophobicContact CG1-CD2 3.86Å; V186-F283 HydrophobicContact CG1-CE1 4.05Å; V186-F283 HydrophobicContact CG1-CE2 3.07Å; V186-F283 HydrophobicContact CG1-CZ 3.2Å | ||
| 187 | N | 89.3 | Confident | 93.3 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -77.5 | 78.9 | -178.7 | -170.1 | -14.7 | 0 | 0 | 0 | 111.7 | N189 D221 N225 N278 F289 | N187-N189 PolarHBondContact OD1-O 3.37Å; N187-D221 VanDerWaalsContact CA-OD2 3.26Å; N187-D221 WeakPolarHBondContact CA-OD2 3.3Å; N187-D221 PolarHBondContact OD1-OD2 3.17Å; N187-D221 VanDerWaalsContact OD1-OD2 3.04Å; N187-N225 HydrophobicContact CB-CB 3.88Å; N187-N278 PolarHBondContact ND2-O 1.97Å; N187-F289 WeakPolarHBondContact O-CE1 3.31Å; N187-F289 WeakPolarHBondContact OD1-CE1 3.09Å |
| 188 | D | 87.2 | Confident | 93.5 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | trans | -109.8 | -9 | 177.3 | 78.5 | -36.1 | 0 | 0 | 0 | 113.3 | M96 V186 F283 L286 | M96-D188 HydrophobicContact SD-CB 3.97Å; V186-D188 VanDerWaalsContact C-N 3.29Å; V186-D188 PolarHBondContact O-N 3.08Å; D188-F283 HydrophobicContact CB-CD1 4.07Å; D188-F283 HydrophobicContact CB-CG 4.37Å; D188-L286 HydrophobicContact CB-CD1 4.16Å | ||
| 189 | N | 88.1 | Confident | 93.6 | Very high | 47 Ų | 47 | 51 Ų | 51 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | trans | -106.5 | 126.8 | 174.5 | -61.8 | -82.1 | 0 | 0 | 0 | 112.2 | N187 A220 D221 | N187-N189 PolarHBondContact OD1-O 3.37Å; N189-A220 HydrophobicContact CB-CB 3.97Å; N189-D221 VanDerWaalsContact CB-OD1 3.25Å; N189-D221 WeakPolarHBondContact CB-OD1 3.49Å; N189-D221 PolarHBondContact N-OD1 3.04Å; N189-D221 PolarHBondContact N-OD2 3.38Å; N189-D221 PolarHBondContact ND2-OD1 2.82Å | ||
| 190 | P | 89.9 | Confident | 93.7 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | trans | -89.4 | 158.4 | 175 | 36 | -37.2 | 0 | 0 | 0 | 112.3 | R192 F289 | P190-R192 PolarHBondContact O-N 2.98Å; P190-F289 HydrophobicContact CB-CD1 4.31Å | ||
| 191 | P | 93.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -64.5 | 135.8 | 177.8 | 26.9 | -36.8 | 0 | 0 | 0 | 110 | A217 A218 D219 M228 A274 N276 D291 | P191-A217 HydrophobicContact CB-CB 3.85Å; P191-A218 WeakPolarHBondContact CA-O 3.4Å; P191-D219 WeakPolarHBondContact CD-OD2 3.31Å; P191-M228 HydrophobicContact CB-CB 4.5Å; P191-M228 HydrophobicContact CB-CE 4.31Å; P191-M228 HydrophobicContact CB-SD 4.18Å; P191-A274 HydrophobicContact CB-CB 4.2Å; P191-A274 HydrophobicContact CG-CB 4.24Å; P191-N276 VanDerWaalsContact CD-CG 3.48Å; P191-N276 WeakPolarHBondContact CD-OD1 3.3Å; P191-D291 WeakPolarHBondContact O-CB 3.44Å | ||
| 192 | R | 94 | Very high | 93.8 | Very high | 104 Ų | 104 | 58.3 Ų | 58.3 | 39% | 0.392 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.4 | 179.4 | -64.5 | -59.4 | 179.8 | -156.4 | -7.5 | 112 | P190 A217 A218 S290 D291 | P190-R192 PolarHBondContact O-N 2.98Å; R192-A217 CarbonylContact O-C 3.5Å; R192-A217 WeakPolarHBondContact O-CA 3.37Å; R192-A218 PolarHBondContact N-O 3.46Å; R192-A218 PolarHBondContact O-N 3.22Å; R192-S290 PolarHBondContact NH1-O 3.35Å; R192-D291 IonicContact NH1-OD1 3.17Å |
| 193 | F | 96.1 | Very high | 93.8 | Very high | 19 Ų | 19 | 60 Ų | 60 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 137.9 | 172 | -71.8 | -75.2 | 0 | 0 | 0 | 110.8 | H195 Y198 I215 A217 Y230 A274 D291 T293 | F193-H195 PolarHBondContact O-N 3.38Å; F193-Y198 HydrophobicContact CB-CE2 4.5Å; F193-Y198 HydrophobicContact CD1-CE2 4.2Å; F193-I215 HydrophobicContact CE1-CB 4.49Å; F193-I215 HydrophobicContact CE1-CD1 3.96Å; F193-I215 HydrophobicContact CZ-CD1 4.25Å; F193-A217 HydrophobicContact CD1-CB 3.96Å; F193-A217 HydrophobicContact CD2-CB 4.47Å; F193-A217 HydrophobicContact CE1-CB 3.94Å; F193-A217 HydrophobicContact CE2-CB 4.45Å; F193-A217 HydrophobicContact CG-CB 4.24Å; F193-A217 HydrophobicContact CZ-CB 4.2Å; F193-Y230 HydrophobicContact CE1-CD1 4.49Å; F193-Y230 AromaticContact CE1-CE1 3.84Å; F193-Y230 HydrophobicContact CE1-CE1 3.84Å; F193-Y230 HydrophobicContact CZ-CD1 4.13Å; F193-Y230 AromaticContact CZ-CE1 3.82Å; F193-Y230 HydrophobicContact CZ-CE1 3.82Å; F193-A274 HydrophobicContact CE2-CB 3.72Å; F193-A274 HydrophobicContact CZ-CB 3.6Å; F193-D291 HydrophobicContact CD2-CB 4.11Å; F193-D291 WeakPolarHBondContact CE2-O 3.22Å; F193-D291 PolarHBondContact N-OD2 2.77Å; F193-T293 HydrophobicContact CD1-CG2 3.73Å; F193-T293 HydrophobicContact CD2-CG2 3.78Å; F193-T293 HydrophobicContact CE1-CG2 3.7Å; F193-T293 HydrophobicContact CE2-CG2 3.74Å; F193-T293 HydrophobicContact CG-CG2 3.76Å; F193-T293 HydrophobicContact CZ-CG2 3.7Å |
| 194 | A | 95.2 | Very high | 93.8 | Very high | 83 Ų | 83 | 59.9 Ų | 59.9 | 69% | 0.686 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -64.5 | -29.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y198 | A194-Y198 PolarHBondContact N-OH 3.07Š|
| 195 | H | 95.1 | Very high | 93.8 | Very high | 113 Ų | 113 | 60.3 Ų | 60.3 | 52% | 0.523 | 32% | 0.318 | S | S | . | . | trans | -130.6 | 143.4 | -178.9 | -52.9 | 87.1 | 0 | 0 | 0 | 111.7 | F193 S197 Y198 T293 | F193-H195 PolarHBondContact O-N 3.38Å; H195-S197 PolarHBondContact O-N 2.82Å; H195-Y198 HydrophobicContact CB-CE1 4.11Å; H195-Y198 HydrophobicContact CB-CE2 3.98Å; H195-Y198 PolarHBondContact N-OH 3.22Å; H195-Y198 AromaticContact ND1-CE1 3.52Å; H195-Y198 AromaticContact ND1-CZ 3.7Å; H195-Y198 WeakPolarHBondContact O-CE2 3.37Å; H195-T293 PolarHBondContact O-OG1 3.16Å | ||
| 196 | K | 93.8 | Very high | 94 | Very high | 195 Ų | 195 | 60.9 Ų | 60.9 | 85% | 0.848 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -70 | -22.1 | 173.8 | -65 | -173.5 | 177.1 | -176.6 | 0 | 113.3 | T293 S294 | K196-T293 VanDerWaalsContact C-OG1 3.26Å; K196-T293 PolarHBondContact O-OG1 3.5Å; K196-S294 PolarHBondContact O-N 3.38Å; K196-S294 VanDerWaalsContact O-N 3.08Å |
| 197 | S | 96 | Very high | 94.4 | Very high | 70 Ų | 70 | 64 Ų | 64 | 49% | 0.49 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 140.1 | 173.6 | 63.4 | 0 | 0 | 0 | 0 | 112.4 | H195 S294 | H195-S197 PolarHBondContact O-N 2.82Å; S197-S294 CarbonylContact C-O 3.57Å; S197-S294 WeakPolarHBondContact CA-O 3.46Å; S197-S294 WeakPolarHBondContact CB-O 3.01Å |
| 198 | Y | 96.6 | Very high | 94.7 | Very high | 35 Ų | 35 | 66.9 Ų | 66.9 | 14% | 0.137 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 147.6 | 172.3 | -62 | -96 | 0 | 0 | 0 | 109.7 | F193 A194 H195 Y200 I215 T293 S294 V295 K296 | F193-Y198 HydrophobicContact CB-CE2 4.5Å; F193-Y198 HydrophobicContact CD1-CE2 4.2Å; A194-Y198 PolarHBondContact N-OH 3.07Å; H195-Y198 HydrophobicContact CB-CE1 4.11Å; H195-Y198 HydrophobicContact CB-CE2 3.98Å; H195-Y198 PolarHBondContact N-OH 3.22Å; H195-Y198 AromaticContact ND1-CE1 3.52Å; H195-Y198 AromaticContact ND1-CZ 3.7Å; H195-Y198 WeakPolarHBondContact O-CE2 3.37Å; Y198-Y200 HydrophobicContact CG-CE2 4.44Å; Y198-I215 HydrophobicContact CD2-CG2 4.26Å; Y198-I215 HydrophobicContact CG-CG2 4.22Å; Y198-T293 HydrophobicContact CD2-CG2 4.11Å; Y198-T293 HydrophobicContact CE2-CG2 4.07Å; Y198-S294 PolarHBondContact N-O 2.76Å; Y198-V295 HydrophobicContact CD2-CG2 4.49Å; Y198-V295 WeakPolarHBondContact O-CA 3.41Å; Y198-K296 PolarHBondContact O-N 2.77Å |
| 199 | Q | 96.8 | Very high | 95.2 | Very high | 139 Ų | 139 | 71.1 Ų | 71.1 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129 | 175.7 | -175.6 | 172.7 | -10.1 | 0 | 0 | 109.7 | K296 | Q199-K296 CarbonylContact C-O 3.43Å; Q199-K296 VanDerWaalsContact CA-O 3.3Å; Q199-K296 WeakPolarHBondContact CA-O 3.33Å; Q199-K296 HydrophobicContact CG-CB 4.4Å |
| 200 | Y | 96.8 | Very high | 95.6 | Very high | 68 Ų | 68 | 70.4 Ų | 70.4 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.6 | 177.1 | -63.3 | -79.2 | 0 | 0 | 0 | 109.4 | Y198 A213 R214 I215 V295 K296 V297 A298 | Y198-Y200 HydrophobicContact CG-CE2 4.44Å; Y200-A213 HydrophobicContact CD1-CB 4.12Å; Y200-A213 HydrophobicContact CD2-CB 3.42Å; Y200-A213 VanDerWaalsContact CD2-CB 3.42Å; Y200-A213 HydrophobicContact CE1-CB 4.27Å; Y200-A213 HydrophobicContact CE2-CB 3.57Å; Y200-A213 HydrophobicContact CG-CB 3.71Å; Y200-R214 PolarHBondContact OH-O 3.09Å; Y200-I215 HydrophobicContact CE2-CG2 4.09Å; Y200-V295 HydrophobicContact CD2-CG1 3.76Å; Y200-V295 HydrophobicContact CE2-CG1 4.05Å; Y200-K296 PolarHBondContact N-O 3.31Å; Y200-V297 CarbonylContact O-C 3.56Å; Y200-V297 WeakPolarHBondContact O-CA 3.19Å; Y200-A298 PolarHBondContact O-N 3.39Å |
| 201 | T | 97.3 | Very high | 95.9 | Very high | 96 Ų | 96 | 72.4 Ų | 72.4 | 59% | 0.589 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.1 | 174.7 | -59.8 | 0 | 0 | 0 | 0 | 108.7 | A298 A300 | T201-A298 VanDerWaalsContact CA-O 3.28Å; T201-A298 WeakPolarHBondContact CA-O 3.43Å; T201-A300 HydrophobicContact CG2-CB 3.91Å |
| 202 | V | 97 | Very high | 96.1 | Very high | 15 Ų | 15 | 73 Ų | 73 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148 | 175.8 | -66.2 | 0 | 0 | 0 | 0 | 109.5 | L206 V212 L260 V297 A298 V299 A300 | V202-L206 HydrophobicContact CB-CD2 4.03Å; V202-L206 HydrophobicContact CG1-CD2 4.03Å; V202-V212 HydrophobicContact CG1-CG1 3.95Å; V202-L260 HydrophobicContact CG2-CD1 3.57Å; V202-V297 HydrophobicContact CG2-CG1 3.6Å; V202-A298 PolarHBondContact N-O 2.87Å; V202-V299 CarbonylContact O-C 3.53Å; V202-V299 WeakPolarHBondContact O-CA 3.49Å; V202-A300 PolarHBondContact O-N 3.38Å |
| 203 | L | 96.6 | Very high | 96.2 | Very high | 94 Ų | 94 | 68.2 Ų | 68.2 | 49% | 0.492 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 148.6 | 172.9 | -60.1 | 172.6 | 0 | 0 | 0 | 109.5 | S205 L206 A300 V302 | L203-S205 PolarHBondContact O-N 3.14Å; L203-L206 WeakPolarHBondContact O-CB 3.26Å; L203-L206 PolarHBondContact O-N 3.13Å; L203-L206 VanDerWaalsContact O-N 3.17Å; L203-A300 HydrophobicContact CD2-CB 4.03Å; L203-V302 HydrophobicContact CB-CG2 3.92Å; L203-V302 HydrophobicContact CD2-CG2 3.84Å; L203-V302 HydrophobicContact CG-CG2 4.32Å |
| 204 | E | 95.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 5% | 0.047 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -29.7 | 174.2 | 75.3 | -169.9 | 116 | 0 | 0 | 113.1 | L206 L260 F262 V299 A300 D301 V302 | E204-L206 PolarHBondContact O-N 3Å; E204-L260 HydrophobicContact CB-CB 4.19Å; E204-F262 HydrophobicContact CB-CB 4.38Å; E204-F262 VanDerWaalsContact OE2-CB 3.3Å; E204-F262 WeakPolarHBondContact OE2-CB 3.28Å; E204-F262 PolarHBondContact OE2-N 3.09Å; E204-V299 HydrophobicContact CB-CG1 3.61Å; E204-A300 PolarHBondContact N-O 3.15Å; E204-D301 WeakPolarHBondContact OE1-CA 3.11Å; E204-V302 HydrophobicContact CG-CB 4.08Å; E204-V302 HydrophobicContact CG-CG2 4.28Å; E204-V302 PolarHBondContact OE1-N 3.38Å |
| 205 | S | 94.5 | Very high | 96.3 | Very high | 74 Ų | 74 | 68.9 Ų | 68.9 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 4.1 | 174.1 | 62.3 | 0 | 0 | 0 | 0 | 114 | L203 P207 | L203-S205 PolarHBondContact O-N 3.14Å; S205-P207 VanDerWaalsContact O-CD 3.3Å; S205-P207 WeakPolarHBondContact O-CD 3.47Å |
| 206 | L | 96.5 | Very high | 96.3 | Very high | 41 Ų | 41 | 68.3 Ų | 68.3 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 120.5 | 176.8 | -174.3 | 70.3 | 0 | 0 | 0 | 110.1 | V202 L203 E204 V212 L256 | V202-L206 HydrophobicContact CB-CD2 4.03Å; V202-L206 HydrophobicContact CG1-CD2 4.03Å; L203-L206 WeakPolarHBondContact O-CB 3.26Å; L203-L206 PolarHBondContact O-N 3.13Å; L203-L206 VanDerWaalsContact O-N 3.17Å; E204-L206 PolarHBondContact O-N 3Å; L206-V212 HydrophobicContact CD2-CG2 4Å; L206-L256 HydrophobicContact CB-CD2 4.38Å; L206-L256 HydrophobicContact CD2-CD2 4.27Å; L206-L256 HydrophobicContact CG-CD2 4.36Å; L206-L256 WeakPolarHBondContact O-CD2 3.44Å |
| 207 | P | 96.6 | Very high | 96.3 | Very high | 86 Ų | 86 | 59.1 Ų | 59.1 | 56% | 0.558 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 146.5 | -178.2 | -24.3 | 34.3 | 0 | 0 | 0 | 112.6 | S205 S210 | S205-P207 VanDerWaalsContact O-CD 3.3Å; S205-P207 WeakPolarHBondContact O-CD 3.47Å; P207-S210 WeakPolarHBondContact O-CB 3.43Å; P207-S210 PolarHBondContact O-N 2.84Å; P207-S210 VanDerWaalsContact O-N 3.11Å; P207-S210 PolarHBondContact O-OG 3.17Å |
| 208 | V | 96.3 | Very high | 96.2 | Very high | 63 Ų | 63 | 59 Ų | 59 | 38% | 0.382 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 146.2 | 171.5 | -178.8 | 0 | 0 | 0 | 0 | 110 | S210 Q257 P259 | V208-S210 PolarHBondContact O-N 2.9Å; V208-Q257 VanDerWaalsContact CG1-O 3.3Å; V208-Q257 WeakPolarHBondContact CG1-O 3.44Å; V208-P259 HydrophobicContact CG2-CB 4.5Å |
| 209 | Q | 96.4 | Very high | 96.1 | Very high | 117 Ų | 117 | 58.6 Ų | 58.6 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 4.7 | -169.8 | -53.2 | -58.2 | -34.3 | 0 | 0 | 115.7 | L256 | Q209-L256 WeakPolarHBondContact CA-O 3.37Å; Q209-L256 PolarHBondContact N-O 3.38Å |
| 210 | S | 96.9 | Very high | 95.9 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | trans | -74.5 | 153.2 | 171.4 | -57 | 0 | 0 | 0 | 0 | 112.1 | P207 V208 V212 I255 L256 | P207-S210 WeakPolarHBondContact O-CB 3.43Å; P207-S210 PolarHBondContact O-N 2.84Å; P207-S210 VanDerWaalsContact O-N 3.11Å; P207-S210 PolarHBondContact O-OG 3.17Å; V208-S210 PolarHBondContact O-N 2.9Å; S210-V212 PolarHBondContact O-N 2.63Å; S210-I255 WeakPolarHBondContact O-CA 3.49Å; S210-L256 PolarHBondContact O-N 3.33Å | ||
| 211 | V | 97.3 | Very high | 95.7 | Very high | 67 Ų | 67 | 51.6 Ų | 51.6 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 122.6 | 172.6 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | R214 V253 | V211-R214 HydrophobicContact CG1-CG 4.16Å; V211-V253 HydrophobicContact CB-CG1 4.35Å; V211-V253 HydrophobicContact CG1-CG1 3.72Å; V211-V253 HydrophobicContact CG2-CG1 3.76Å |
| 212 | V | 97.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -44.1 | 178.4 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | V202 L206 S210 F241 I254 L256 V297 | V202-V212 HydrophobicContact CG1-CG1 3.95Å; L206-V212 HydrophobicContact CD2-CG2 4Å; S210-V212 PolarHBondContact O-N 2.63Å; V212-F241 HydrophobicContact CG1-CE1 4.22Å; V212-F241 HydrophobicContact CG2-CD1 4.11Å; V212-F241 HydrophobicContact CG2-CE1 4.02Å; V212-I254 HydrophobicContact CB-CB 4.48Å; V212-I254 HydrophobicContact CB-CG2 4.3Å; V212-I254 PolarHBondContact N-O 3.4Å; V212-L256 HydrophobicContact CG2-CB 3.81Å; V212-V297 HydrophobicContact CG1-CG1 3.76Å; V212-V297 HydrophobicContact CG1-CG2 3.89Å |
| 213 | A | 96.1 | Very high | 95 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 156.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y200 I254 | Y200-A213 HydrophobicContact CD1-CB 4.12Å; Y200-A213 HydrophobicContact CD2-CB 3.42Å; Y200-A213 VanDerWaalsContact CD2-CB 3.42Å; Y200-A213 HydrophobicContact CE1-CB 4.27Å; Y200-A213 HydrophobicContact CE2-CB 3.57Å; Y200-A213 HydrophobicContact CG-CB 3.71Å; A213-I254 HydrophobicContact CB-CB 4.4Å; A213-I254 HydrophobicContact CB-CD1 4.11Å; A213-I254 HydrophobicContact CB-CG1 4.46Å; A213-I254 PolarHBondContact O-N 3.46Å |
| 214 | R | 96.3 | Very high | 94.7 | Very high | 112 Ų | 112 | 52.1 Ų | 52.1 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.3 | 170 | -67.1 | 173.9 | 176.1 | -85.5 | -4.1 | 108 | Y200 V211 D246 E251 G252 V253 | Y200-R214 PolarHBondContact OH-O 3.09Å; V211-R214 HydrophobicContact CG1-CG 4.16Å; R214-D246 IonicContact NH1-OD2 3.68Å; R214-E251 WeakPolarHBondContact CD-OE2 3.32Å; R214-E251 IonicContact NH1-OE2 3.27Å; R214-G252 WeakPolarHBondContact CA-O 3.34Å; R214-V253 HydrophobicContact CG-CG2 4.48Å |
| 215 | I | 96.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 145.5 | 177.5 | 51.7 | 159.3 | 0 | 0 | 0 | 109.5 | F193 Y198 Y200 Y230 I243 E251 G252 I272 T293 V295 | F193-I215 HydrophobicContact CE1-CB 4.49Å; F193-I215 HydrophobicContact CE1-CD1 3.96Å; F193-I215 HydrophobicContact CZ-CD1 4.25Å; Y198-I215 HydrophobicContact CD2-CG2 4.26Å; Y198-I215 HydrophobicContact CG-CG2 4.22Å; Y200-I215 HydrophobicContact CE2-CG2 4.09Å; I215-Y230 HydrophobicContact CD1-CD1 4.23Å; I215-Y230 HydrophobicContact CD1-CE1 4.41Å; I215-I243 HydrophobicContact CD1-CD1 4.18Å; I215-E251 CarbonylContact O-C 3.58Å; I215-E251 WeakPolarHBondContact O-CA 3.36Å; I215-G252 WeakPolarHBondContact CG1-O 3.18Å; I215-G252 PolarHBondContact N-O 2.76Å; I215-G252 PolarHBondContact O-N 3.09Å; I215-I272 HydrophobicContact CD1-CB 3.99Å; I215-I272 HydrophobicContact CD1-CD1 3.59Å; I215-I272 HydrophobicContact CD1-CG1 4.39Å; I215-I272 HydrophobicContact CD1-CG2 3.45Å; I215-I272 VanDerWaalsContact CD1-CG2 3.45Å; I215-T293 HydrophobicContact CD1-CG2 4.48Å; I215-V295 HydrophobicContact CD1-CG2 4.32Å; I215-V295 HydrophobicContact CG2-CG2 4.02Å |
| 216 | K | 94.9 | Very high | 94.2 | Very high | 102 Ų | 102 | 50.4 Ų | 50.4 | 44% | 0.443 | 30% | 0.303 | S | S | . | . | trans | -133.2 | 125.2 | -179 | -169 | 164.8 | 178.1 | 159.8 | 0 | 110.5 | Y230 T249 E251 | K216-Y230 WeakPolarHBondContact CA-OH 3.42Å; K216-T249 WeakPolarHBondContact CE-O 3.41Å; K216-T249 PolarHBondContact NZ-O 3.49Å; K216-E251 HydrophobicContact CB-CG 4.17Å; K216-E251 HydrophobicContact CD-CG 3.96Å; K216-E251 HydrophobicContact CG-CG 4.33Å | ||
| 217 | A | 95.3 | Very high | 94 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 147.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P191 R192 F193 M228 Y230 A274 | P191-A217 HydrophobicContact CB-CB 3.85Å; R192-A217 CarbonylContact O-C 3.5Å; R192-A217 WeakPolarHBondContact O-CA 3.37Å; F193-A217 HydrophobicContact CD1-CB 3.96Å; F193-A217 HydrophobicContact CD2-CB 4.47Å; F193-A217 HydrophobicContact CE1-CB 3.94Å; F193-A217 HydrophobicContact CE2-CB 4.45Å; F193-A217 HydrophobicContact CG-CB 4.24Å; F193-A217 HydrophobicContact CZ-CB 4.2Å; A217-M228 HydrophobicContact CB-SD 3.85Å; A217-M228 WeakPolarHBondContact O-CE 3.48Å; A217-Y230 HydrophobicContact CB-CE1 4.48Å; A217-Y230 PolarHBondContact N-OH 3.41Å; A217-A274 HydrophobicContact CB-CB 3.78Å |
| 218 | A | 93.9 | Very high | 93.7 | Very high | 68 Ų | 68 | 47.8 Ų | 47.8 | 56% | 0.562 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109 | P191 R192 | P191-A218 WeakPolarHBondContact CA-O 3.4Å; R192-A218 PolarHBondContact N-O 3.46Å; R192-A218 PolarHBondContact O-N 3.22Å |
| 219 | D | 93.2 | Very high | 93.6 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | trans | -119.6 | 138.6 | 172.4 | -159.2 | -51.2 | 0 | 0 | 0 | 107.9 | P191 D221 A226 M228 N276 | P191-D219 WeakPolarHBondContact CD-OD2 3.31Å; D219-D221 WeakPolarHBondContact OD1-CB 3.39Å; D219-D221 PolarHBondContact OD1-N 3.31Å; D219-D221 VanDerWaalsContact OD1-N 3.07Å; D219-A226 HydrophobicContact CB-CB 3.96Å; D219-M228 HydrophobicContact CB-CE 3.78Å; D219-N276 PolarHBondContact OD2-ND2 2.81Å | ||
| 220 | A | 92.5 | Very high | 93.6 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -86.6 | -19 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R151 E152 N189 | R151-A220 PolarHBondContact NH2-O 3.26Å; E152-A220 HydrophobicContact CG-CB 3.77Å; N189-A220 HydrophobicContact CB-CB 3.97Å |
| 221 | D | 92.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -69.2 | 179.3 | 179.2 | -62.6 | -12 | 0 | 0 | 0 | 111.2 | N187 N189 D219 N225 A226 | N187-D221 VanDerWaalsContact CA-OD2 3.26Å; N187-D221 WeakPolarHBondContact CA-OD2 3.3Å; N187-D221 PolarHBondContact OD1-OD2 3.17Å; N187-D221 VanDerWaalsContact OD1-OD2 3.04Å; N189-D221 VanDerWaalsContact CB-OD1 3.25Å; N189-D221 WeakPolarHBondContact CB-OD1 3.49Å; N189-D221 PolarHBondContact N-OD1 3.04Å; N189-D221 PolarHBondContact N-OD2 3.38Å; N189-D221 PolarHBondContact ND2-OD1 2.82Å; D219-D221 WeakPolarHBondContact OD1-CB 3.39Å; D219-D221 PolarHBondContact OD1-N 3.31Å; D219-D221 VanDerWaalsContact OD1-N 3.07Å; D221-N225 HydrophobicContact CB-CB 3.73Å; D221-A226 HydrophobicContact CB-CB 4.25Å; D221-A226 VanDerWaalsContact O-CB 3.28Å; D221-A226 WeakPolarHBondContact O-CB 3.11Å |
| 222 | I | 91.5 | Very high | 93.4 | Very high | 92 Ų | 92 | 45.9 Ų | 45.9 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | trans | -126.8 | 156.1 | 179 | 59.5 | 164.3 | 0 | 0 | 0 | 114 | D185 S224 N225 | D185-I222 HydrophobicContact CB-CD1 4.11Å; D185-I222 HydrophobicContact CB-CG1 3.54Å; D185-I222 VanDerWaalsContact CG-CG1 3.4Å; D185-I222 WeakPolarHBondContact OD1-CG1 3.3Å; D185-I222 PolarHBondContact OD1-N 2.72Å; D185-I222 PolarHBondContact OD2-N 3.05Å; I222-S224 PolarHBondContact O-N 3.13Å; I222-N225 PolarHBondContact O-N 2.89Å | ||
| 223 | G | 89.5 | Confident | 93.2 | Very high | 61 Ų | 61 | 49.5 Ų | 49.5 | 63% | 0.629 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | -128.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N225 A226 | G223-N225 PolarHBondContact O-N 2.95Å; G223-A226 PolarHBondContact O-N 2.87Å |
| 224 | S | 88.7 | Confident | 92.9 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 44% | 0.441 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -18.3 | -176.2 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | I222 N278 | I222-S224 PolarHBondContact O-N 3.13Å; S224-N278 PolarHBondContact O-ND2 3.18Å |
| 225 | N | 89.1 | Confident | 92.5 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -77.4 | -36.3 | -179.7 | -66 | -16.3 | 0 | 0 | 0 | 110.6 | D185 N187 D221 I222 G223 E227 N276 | D185-N225 VanDerWaalsContact OD2-CB 3.29Å; D185-N225 WeakPolarHBondContact OD2-CB 3.4Å; D185-N225 PolarHBondContact OD2-ND2 2.69Å; N187-N225 HydrophobicContact CB-CB 3.88Å; D221-N225 HydrophobicContact CB-CB 3.73Å; I222-N225 PolarHBondContact O-N 2.89Å; G223-N225 PolarHBondContact O-N 2.95Å; N225-E227 VanDerWaalsContact C-N 3.33Å; N225-E227 PolarHBondContact O-N 2.78Å; N225-N276 PolarHBondContact O-ND2 2.81Å |
| 226 | A | 90.8 | Very high | 92 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -82 | 0.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | D219 D221 G223 M228 | D219-A226 HydrophobicContact CB-CB 3.96Å; D221-A226 HydrophobicContact CB-CB 4.25Å; D221-A226 VanDerWaalsContact O-CB 3.28Å; D221-A226 WeakPolarHBondContact O-CB 3.11Å; G223-A226 PolarHBondContact O-N 2.87Å; A226-M228 WeakPolarHBondContact O-CE 3.36Å; A226-M228 PolarHBondContact O-N 2.9Å |
| 227 | E | 92.1 | Very high | 91.5 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | trans | -69.8 | 129.4 | 173.7 | -78.8 | -174.1 | -157.7 | 0 | 0 | 110.7 | N225 N276 R277 | N225-E227 VanDerWaalsContact C-N 3.33Å; N225-E227 PolarHBondContact O-N 2.78Å; E227-N276 WeakPolarHBondContact O-CA 3.18Å; E227-R277 HydrophobicContact CB-CB 4.34Å; E227-R277 PolarHBondContact O-N 2.93Å; E227-R277 IonicContact OE2-CZ 3.97Å; E227-R277 IonicContact OE2-NH1 3.02Å; E227-R277 PolarHBondContact OE2-NH1 2.85Å; E227-R277 VanDerWaalsContact OE2-NH1 3.08Å | ||
| 228 | M | 91.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.034 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 143.8 | -175.5 | 64.5 | -168.7 | 77.2 | 0 | 0 | 112.6 | P191 A217 D219 A226 Y230 T245 Q250 T275 | P191-M228 HydrophobicContact CB-CB 4.5Å; P191-M228 HydrophobicContact CB-CE 4.31Å; P191-M228 HydrophobicContact CB-SD 4.18Å; A217-M228 HydrophobicContact CB-SD 3.85Å; A217-M228 WeakPolarHBondContact O-CE 3.48Å; D219-M228 HydrophobicContact CB-CE 3.78Å; A226-M228 WeakPolarHBondContact O-CE 3.36Å; A226-M228 PolarHBondContact O-N 2.9Å; M228-Y230 HydrophobicContact CG-CE2 3.73Å; M228-Y230 HydrophobicContact SD-CE2 4.03Å; M228-Y230 PolarHBondContact SD-OH 3.26Å; M228-T245 WeakPolarHBondContact O-CG2 3.43Å; M228-Q250 VanDerWaalsContact N-OE1 3.1Å; M228-T275 CarbonylContact C-O 3.39Å; M228-T275 VanDerWaalsContact CA-O 3.28Å; M228-T275 WeakPolarHBondContact CA-O 3.22Å |
| 229 | D | 93.6 | Very high | 91 | Very high | 52 Ų | 52 | 53 Ų | 53 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.7 | 174.6 | -72.5 | -47.6 | 0 | 0 | 0 | 109.3 | T275 R277 | D229-T275 PolarHBondContact N-O 3.42Å; D229-T275 PolarHBondContact O-N 3.03Å; D229-T275 PolarHBondContact O-OG1 3.27Å; D229-R277 IonicContact OD1-CZ 2.82Å; D229-R277 IonicContact OD1-NE 3.08Å; D229-R277 IonicContact OD1-NH2 3.99Å; D229-R277 PolarHBondContact OD1-NH2 2.77Å; D229-R277 IonicContact OD2-CZ 3.03Å; D229-R277 IonicContact OD2-NE 3.73Å; D229-R277 PolarHBondContact OD2-NE 2.83Å; D229-R277 VanDerWaalsContact OD2-NE 3.17Å; D229-R277 IonicContact OD2-NH2 3.61Å |
| 230 | Y | 96 | Very high | 91 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 6% | 0.059 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 142.2 | 179.1 | -65.8 | -98 | 0 | 0 | 0 | 111.4 | F193 I215 K216 A217 M228 I243 T245 Q250 G252 I272 E273 A274 | F193-Y230 HydrophobicContact CE1-CD1 4.49Å; F193-Y230 AromaticContact CE1-CE1 3.84Å; F193-Y230 HydrophobicContact CE1-CE1 3.84Å; F193-Y230 HydrophobicContact CZ-CD1 4.13Å; F193-Y230 AromaticContact CZ-CE1 3.82Å; F193-Y230 HydrophobicContact CZ-CE1 3.82Å; I215-Y230 HydrophobicContact CD1-CD1 4.23Å; I215-Y230 HydrophobicContact CD1-CE1 4.41Å; K216-Y230 WeakPolarHBondContact CA-OH 3.42Å; A217-Y230 HydrophobicContact CB-CE1 4.48Å; A217-Y230 PolarHBondContact N-OH 3.41Å; M228-Y230 HydrophobicContact CG-CE2 3.73Å; M228-Y230 HydrophobicContact SD-CE2 4.03Å; M228-Y230 PolarHBondContact SD-OH 3.26Å; Y230-I243 HydrophobicContact CD1-CD1 4.38Å; Y230-I243 HydrophobicContact CG-CD1 4.25Å; Y230-T245 HydrophobicContact CD2-CG2 4.09Å; Y230-T245 HydrophobicContact CE2-CG2 4.24Å; Y230-T245 PolarHBondContact N-OG1 3.13Å; Y230-Q250 WeakPolarHBondContact CE2-O 3.28Å; Y230-Q250 PolarHBondContact OH-O 2.82Å; Y230-G252 VanDerWaalsContact CE2-N 3.28Å; Y230-I272 HydrophobicContact CD1-CG2 4.3Å; Y230-E273 WeakPolarHBondContact CA-O 3.36Å; Y230-A274 HydrophobicContact CD1-CB 3.92Å; Y230-A274 HydrophobicContact CE1-CB 3.75Å |
| 231 | R | 95.3 | Very high | 91.2 | Very high | 123 Ų | 123 | 51.5 Ų | 51.5 | 46% | 0.464 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 142.9 | 173.6 | 65.1 | -178.4 | -176.2 | -174.6 | 0.6 | 112.7 | M233 I272 E273 | R231-M233 HydrophobicContact CG-CG 4.38Å; R231-M233 HydrophobicContact CG-SD 4.14Å; R231-M233 PolarHBondContact NE-SD 2.96Å; R231-M233 PolarHBondContact O-N 3.17Å; R231-I272 WeakPolarHBondContact O-CA 3.49Å; R231-E273 HydrophobicContact CG-CB 3.96Å; R231-E273 IonicContact CZ-OE2 3.85Å; R231-E273 PolarHBondContact N-O 3.37Å; R231-E273 IonicContact NE-OE2 3.28Å; R231-E273 PolarHBondContact NE-OE2 2.78Å; R231-E273 VanDerWaalsContact NH2-CD 3.34Å; R231-E273 IonicContact NH2-OE1 2.86Å; R231-E273 PolarHBondContact NH2-OE1 3.49Å; R231-E273 IonicContact NH2-OE2 3.87Å; R231-E273 PolarHBondContact NH2-OE2 2.89Å; R231-E273 PolarHBondContact O-N 3.44Å |
| 232 | I | 95.8 | Very high | 91.4 | Very high | 50 Ų | 50 | 54.7 Ų | 54.7 | 26% | 0.256 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 114.4 | 166.6 | -62.2 | 164.7 | 0 | 0 | 0 | 106.6 | F241 I243 I272 | I232-F241 HydrophobicContact CD1-CB 4.02Å; I232-I243 HydrophobicContact CD1-CB 4.08Å; I232-I243 HydrophobicContact CD1-CG2 4.17Å; I232-I243 HydrophobicContact CG1-CB 3.99Å; I232-I243 HydrophobicContact CG1-CG2 3.72Å; I232-I272 HydrophobicContact CG1-CG1 4.4Å |
| 233 | M | 93.1 | Very high | 91.6 | Very high | 86 Ų | 86 | 51 Ų | 51 | 42% | 0.424 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -51.3 | -178.2 | -75.8 | -67.8 | -85.3 | 0 | 0 | 111.2 | R231 R271 E273 | R231-M233 HydrophobicContact CG-CG 4.38Å; R231-M233 HydrophobicContact CG-SD 4.14Å; R231-M233 PolarHBondContact NE-SD 2.96Å; R231-M233 PolarHBondContact O-N 3.17Å; M233-R271 PolarHBondContact N-O 3.17Å; M233-E273 WeakPolarHBondContact CE-OE2 2.94Å; M233-E273 HydrophobicContact CG-CB 3.78Å; M233-E273 HydrophobicContact SD-CB 4.48Å |
| 234 | D | 89.3 | Confident | 91.9 | Very high | 76 Ų | 76 | 50.8 Ų | 50.8 | 41% | 0.406 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 176.1 | 172.2 | 65.4 | -1.5 | 0 | 0 | 0 | 109.6 | R271 | D234-R271 PolarHBondContact O-N 2.95Å; D234-R271 WeakPolarHBondContact OD1-CB 3.48Å; D234-R271 WeakPolarHBondContact OD1-CG 3.06Å; D234-R271 IonicContact OD1-CZ 3.64Å; D234-R271 IonicContact OD1-NE 3.38Å; D234-R271 PolarHBondContact OD1-NE 3.04Å; D234-R271 IonicContact OD1-NH2 3.76Å; D234-R271 PolarHBondContact OD1-NH2 2.64Å; D234-R271 VanDerWaalsContact OD1-NH2 3.1Å; D234-R271 IonicContact OD2-CZ 3.26Å; D234-R271 IonicContact OD2-NE 3.83Å; D234-R271 PolarHBondContact OD2-NE 3.4Å; D234-R271 IonicContact OD2-NH2 3.5Å; D234-R271 PolarHBondContact OD2-NH2 2.01Å |
| 235 | G | 87 | Confident | 92.3 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.2 | -178.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | A269 | G235-A269 CarbonylContact C-O 3.55Å; G235-A269 WeakPolarHBondContact CA-O 3.45Å |
| 236 | D | 87.1 | Confident | 92.6 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -70 | 142.6 | 173.7 | -66.3 | -49.9 | 0 | 0 | 0 | 111.2 | R265 F268 A269 | D236-R265 IonicContact OD1-NH1 3.07Å; D236-F268 HydrophobicContact CB-CB 4.2Å; D236-F268 HydrophobicContact CB-CD1 3.8Å; D236-F268 HydrophobicContact CB-CG 4.44Å; D236-A269 PolarHBondContact N-O 2.79Å; D236-A269 PolarHBondContact OD2-N 3.36Å |
| 237 | G | 83.1 | Confident | 92.6 | Very high | 16 Ų | 16 | 58.1 Ų | 58.1 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 73 | 70.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G239 M240 | G237-G239 PolarHBondContact O-N 2.85Å; G237-M240 WeakPolarHBondContact O-CB 3.29Å; G237-M240 VanDerWaalsContact O-CG 3.25Å; G237-M240 WeakPolarHBondContact O-CG 3.16Å; G237-M240 PolarHBondContact O-N 2.84Å |
| 238 | P | 87.7 | Confident | 92.5 | Very high | 118 Ų | 118 | 62.4 Ų | 62.4 | 77% | 0.766 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 124.4 | 178.6 | 24.3 | -33.6 | 0 | 0 | 0 | 111.3 | M240 | P238-M240 VanDerWaalsContact C-N 3.27Å; P238-M240 PolarHBondContact O-N 3.41Å |
| 239 | G | 90.5 | Very high | 92.6 | Very high | 48 Ų | 48 | 64.6 Ų | 64.6 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 11.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G237 Q257 | G237-G239 PolarHBondContact O-N 2.85Å; G239-Q257 WeakPolarHBondContact O-CB 3.43Å |
| 240 | M | 94.3 | Very high | 92.5 | Very high | 28 Ų | 28 | 64.1 Ų | 64.1 | 14% | 0.138 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -33.6 | 169.4 | -66.1 | -68.6 | -64.9 | 0 | 0 | 111.6 | G237 P238 Q257 K258 P259 L260 F268 | G237-M240 WeakPolarHBondContact O-CB 3.29Å; G237-M240 VanDerWaalsContact O-CG 3.25Å; G237-M240 WeakPolarHBondContact O-CG 3.16Å; G237-M240 PolarHBondContact O-N 2.84Å; P238-M240 VanDerWaalsContact C-N 3.27Å; P238-M240 PolarHBondContact O-N 3.41Å; M240-Q257 PolarHBondContact O-N 2.96Å; M240-K258 HydrophobicContact CE-CB 3.99Å; M240-K258 HydrophobicContact SD-CB 3.54Å; M240-K258 VanDerWaalsContact SD-CB 3.54Å; M240-K258 HydrophobicContact SD-CD 3.64Å; M240-K258 HydrophobicContact SD-CG 4.19Å; M240-P259 WeakPolarHBondContact CE-O 3.14Å; M240-L260 HydrophobicContact CE-CD2 4.05Å; M240-F268 HydrophobicContact CE-CE1 4.46Å; M240-F268 HydrophobicContact CE-CZ 4.1Å; M240-F268 HydrophobicContact CG-CE1 4.23Å |
| 241 | F | 96.5 | Very high | 92.5 | Very high | 17 Ų | 17 | 65.8 Ų | 65.8 | 8% | 0.075 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 146.9 | -177.9 | -54 | -81.9 | 0 | 0 | 0 | 110.7 | V212 I232 I254 I255 L256 L260 F268 L270 | V212-F241 HydrophobicContact CG1-CE1 4.22Å; V212-F241 HydrophobicContact CG2-CD1 4.11Å; V212-F241 HydrophobicContact CG2-CE1 4.02Å; I232-F241 HydrophobicContact CD1-CB 4.02Å; F241-I254 HydrophobicContact CB-CG2 4.01Å; F241-I254 HydrophobicContact CD1-CG2 4.09Å; F241-I254 HydrophobicContact CG-CG2 4.34Å; F241-I255 WeakPolarHBondContact CA-O 3.29Å; F241-L256 HydrophobicContact CD1-CD1 4.11Å; F241-L256 HydrophobicContact CE1-CD1 3.73Å; F241-L256 HydrophobicContact CZ-CD1 4.4Å; F241-L260 HydrophobicContact CZ-CD2 4.16Å; F241-F268 HydrophobicContact CE2-CB 3.83Å; F241-F268 AromaticContact CE2-CD1 3.72Å; F241-F268 HydrophobicContact CE2-CD1 3.72Å; F241-F268 HydrophobicContact CE2-CD2 4.04Å; F241-F268 HydrophobicContact CE2-CE1 4.28Å; F241-F268 AromaticContact CE2-CG 3.58Å; F241-F268 HydrophobicContact CE2-CG 3.58Å; F241-F268 HydrophobicContact CZ-CB 4.22Å; F241-F268 HydrophobicContact CZ-CD1 4.36Å; F241-F268 AromaticContact CZ-CD2 3.85Å; F241-F268 HydrophobicContact CZ-CD2 3.85Å; F241-F268 HydrophobicContact CZ-CE2 4.34Å; F241-F268 AromaticContact CZ-CG 3.88Å; F241-F268 HydrophobicContact CZ-CG 3.88Å; F241-L270 HydrophobicContact CB-CD1 4.16Å; F241-L270 HydrophobicContact CD2-CD1 3.9Å; F241-L270 HydrophobicContact CD2-CD2 3.82Å; F241-L270 HydrophobicContact CD2-CG 4.4Å; F241-L270 HydrophobicContact CE2-CD1 4.48Å; F241-L270 HydrophobicContact CE2-CD2 4.32Å; F241-L270 HydrophobicContact CG-CD1 3.95Å |
| 242 | N | 96.2 | Very high | 92.6 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 155.9 | 166.7 | -173.2 | 27.4 | 0 | 0 | 0 | 109 | I254 I255 Q257 | N242-I254 CarbonylContact O-C 3.52Å; N242-I254 WeakPolarHBondContact O-CA 3.4Å; N242-I255 PolarHBondContact N-O 3.47Å; N242-I255 PolarHBondContact O-N 3.34Å; N242-Q257 HydrophobicContact CB-CG 3.78Å |
| 243 | I | 96.9 | Very high | 92.7 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137.7 | 171.6 | -168.9 | 164.4 | 0 | 0 | 0 | 110.3 | I215 Y230 I232 V253 I254 I272 | I215-I243 HydrophobicContact CD1-CD1 4.18Å; Y230-I243 HydrophobicContact CD1-CD1 4.38Å; Y230-I243 HydrophobicContact CG-CD1 4.25Å; I232-I243 HydrophobicContact CD1-CB 4.08Å; I232-I243 HydrophobicContact CD1-CG2 4.17Å; I232-I243 HydrophobicContact CG1-CB 3.99Å; I232-I243 HydrophobicContact CG1-CG2 3.72Å; I243-V253 WeakPolarHBondContact CA-O 3.38Å; I243-I254 HydrophobicContact CD1-CG1 4.06Å; I243-I254 HydrophobicContact CG1-CG1 4.32Å; I243-I272 HydrophobicContact CD1-CD1 4.18Å; I243-I272 HydrophobicContact CD1-CG2 3.7Å |
| 244 | T | 96.1 | Very high | 92.9 | Very high | 57 Ų | 57 | 53.8 Ų | 53.8 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142.8 | 175.6 | 56.6 | 0 | 0 | 0 | 0 | 110.1 | V253 I255 | T244-V253 PolarHBondContact N-O 3.44Å; T244-V253 PolarHBondContact O-N 3.46Å; T244-I255 HydrophobicContact CG2-CD1 4.3Å |
| 245 | T | 96.1 | Very high | 93.3 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.9 | 171 | -48.6 | 0 | 0 | 0 | 0 | 110.2 | M228 Y230 E251 | M228-T245 WeakPolarHBondContact O-CG2 3.43Å; Y230-T245 HydrophobicContact CD2-CG2 4.09Å; Y230-T245 HydrophobicContact CE2-CG2 4.24Å; Y230-T245 PolarHBondContact N-OG1 3.13Å; T245-E251 WeakPolarHBondContact CA-O 3.37Å |
| 246 | D | 95 | Very high | 93.7 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 24% | 0.235 | 28% | 0.279 | C | S | . | . | trans | -73.1 | 122.4 | 168.7 | -174.3 | -67.7 | 0 | 0 | 0 | 109.8 | R214 D248 T249 Q250 E251 V253 | R214-D246 IonicContact NH1-OD2 3.68Å; D246-D248 VanDerWaalsContact C-N 3.32Å; D246-D248 PolarHBondContact O-N 3.24Å; D246-D248 PolarHBondContact OD1-N 3.47Å; D246-D248 VanDerWaalsContact OD1-N 3.13Å; D246-T249 VanDerWaalsContact CB-OG1 3.27Å; D246-T249 WeakPolarHBondContact CB-OG1 3.3Å; D246-T249 PolarHBondContact OD1-N 3.48Å; D246-T249 PolarHBondContact OD1-OG1 2.97Å; D246-Q250 VanDerWaalsContact O-CA 3.25Å; D246-Q250 WeakPolarHBondContact O-CA 3.17Å; D246-Q250 PolarHBondContact O-N 2.58Å; D246-E251 HydrophobicContact CB-CB 4.47Å; D246-E251 PolarHBondContact N-O 2.93Å; D246-V253 HydrophobicContact CB-CG2 4Å | ||
| 247 | K | 90.9 | Very high | 94.2 | Very high | 184 Ų | 184 | 49.3 Ų | 49.3 | 80% | 0.8 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -32.9 | -171.2 | -68.8 | -177.2 | 179.9 | 177.7 | 0 | 113.1 | Q250 | K247-Q250 PolarHBondContact O-NE2 3.11Å; K247-Q250 VanDerWaalsContact O-NE2 3.11Å |
| 248 | D | 90.8 | Very high | 94.8 | Very high | 155 Ų | 155 | 53.4 Ų | 53.4 | 83% | 0.829 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -39.5 | -173.1 | -59.2 | -43.1 | 0 | 0 | 0 | 110.9 | D246 | D246-D248 VanDerWaalsContact C-N 3.32Å; D246-D248 PolarHBondContact O-N 3.24Å; D246-D248 PolarHBondContact OD1-N 3.47Å; D246-D248 VanDerWaalsContact OD1-N 3.13Å |
| 249 | T | 92.8 | Very high | 95.2 | Very high | 53 Ų | 53 | 52.3 Ų | 52.3 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -14.7 | -174.8 | 61 | 0 | 0 | 0 | 0 | 114.1 | K216 D246 E251 | K216-T249 WeakPolarHBondContact CE-O 3.41Å; K216-T249 PolarHBondContact NZ-O 3.49Å; D246-T249 VanDerWaalsContact CB-OG1 3.27Å; D246-T249 WeakPolarHBondContact CB-OG1 3.3Å; D246-T249 PolarHBondContact OD1-N 3.48Å; D246-T249 PolarHBondContact OD1-OG1 2.97Å; T249-E251 PolarHBondContact O-N 2.88Å |
| 250 | Q | 93.1 | Very high | 95.4 | Very high | 42 Ų | 42 | 50.6 Ų | 50.6 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | trans | 56.7 | 29.8 | -171.7 | -62.4 | -67.1 | -60.4 | 0 | 0 | 113 | M228 Y230 D246 K247 | M228-Q250 VanDerWaalsContact N-OE1 3.1Å; Y230-Q250 WeakPolarHBondContact CE2-O 3.28Å; Y230-Q250 PolarHBondContact OH-O 2.82Å; D246-Q250 VanDerWaalsContact O-CA 3.25Å; D246-Q250 WeakPolarHBondContact O-CA 3.17Å; D246-Q250 PolarHBondContact O-N 2.58Å; K247-Q250 PolarHBondContact O-NE2 3.11Å; K247-Q250 VanDerWaalsContact O-NE2 3.11Å | ||
| 251 | E | 95.6 | Very high | 95.3 | Very high | 50 Ų | 50 | 52.4 Ų | 52.4 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | trans | -89.3 | 141.5 | 173.9 | -65.8 | -175.5 | 161.9 | 0 | 0 | 111.2 | R214 I215 K216 T245 D246 T249 V253 | R214-E251 WeakPolarHBondContact CD-OE2 3.32Å; R214-E251 IonicContact NH1-OE2 3.27Å; I215-E251 CarbonylContact O-C 3.58Å; I215-E251 WeakPolarHBondContact O-CA 3.36Å; K216-E251 HydrophobicContact CB-CG 4.17Å; K216-E251 HydrophobicContact CD-CG 3.96Å; K216-E251 HydrophobicContact CG-CG 4.33Å; T245-E251 WeakPolarHBondContact CA-O 3.37Å; D246-E251 HydrophobicContact CB-CB 4.47Å; D246-E251 PolarHBondContact N-O 2.93Å; T249-E251 PolarHBondContact O-N 2.88Å; E251-V253 PolarHBondContact O-N 2.74Å | ||
| 252 | G | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 110.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | R214 I215 Y230 | R214-G252 WeakPolarHBondContact CA-O 3.34Å; I215-G252 WeakPolarHBondContact CG1-O 3.18Å; I215-G252 PolarHBondContact N-O 2.76Å; I215-G252 PolarHBondContact O-N 3.09Å; Y230-G252 VanDerWaalsContact CE2-N 3.28Å |
| 253 | V | 97.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 114.5 | 179.5 | -172.6 | 0 | 0 | 0 | 0 | 109.1 | V211 R214 I243 T244 D246 E251 I255 | V211-V253 HydrophobicContact CB-CG1 4.35Å; V211-V253 HydrophobicContact CG1-CG1 3.72Å; V211-V253 HydrophobicContact CG2-CG1 3.76Å; R214-V253 HydrophobicContact CG-CG2 4.48Å; I243-V253 WeakPolarHBondContact CA-O 3.38Å; T244-V253 PolarHBondContact N-O 3.44Å; T244-V253 PolarHBondContact O-N 3.46Å; D246-V253 HydrophobicContact CB-CG2 4Å; E251-V253 PolarHBondContact O-N 2.74Å; V253-I255 HydrophobicContact CG1-CG1 4.14Å |
| 254 | I | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.7 | 177.3 | -52.1 | -179.9 | 0 | 0 | 0 | 108.7 | V212 A213 F241 N242 I243 L270 I272 V295 | V212-I254 HydrophobicContact CB-CB 4.48Å; V212-I254 HydrophobicContact CB-CG2 4.3Å; V212-I254 PolarHBondContact N-O 3.4Å; A213-I254 HydrophobicContact CB-CB 4.4Å; A213-I254 HydrophobicContact CB-CD1 4.11Å; A213-I254 HydrophobicContact CB-CG1 4.46Å; A213-I254 PolarHBondContact O-N 3.46Å; F241-I254 HydrophobicContact CB-CG2 4.01Å; F241-I254 HydrophobicContact CD1-CG2 4.09Å; F241-I254 HydrophobicContact CG-CG2 4.34Å; N242-I254 CarbonylContact O-C 3.52Å; N242-I254 WeakPolarHBondContact O-CA 3.4Å; I243-I254 HydrophobicContact CD1-CG1 4.06Å; I243-I254 HydrophobicContact CG1-CG1 4.32Å; I254-L270 HydrophobicContact CD1-CD1 4.41Å; I254-L270 HydrophobicContact CG2-CD1 4.28Å; I254-I272 HydrophobicContact CD1-CD1 3.29Å; I254-I272 HydrophobicContact CG1-CD1 4.12Å; I254-V295 HydrophobicContact CD1-CB 4.35Å; I254-V295 HydrophobicContact CD1-CG1 4Å; I254-V295 HydrophobicContact CD1-CG2 4.34Å |
| 255 | I | 97.1 | Very high | 94.5 | Very high | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.138 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134 | -173.4 | -56.6 | 170.3 | 0 | 0 | 0 | 109.5 | S210 F241 N242 T244 V253 | S210-I255 WeakPolarHBondContact O-CA 3.49Å; F241-I255 WeakPolarHBondContact CA-O 3.29Å; N242-I255 PolarHBondContact N-O 3.47Å; N242-I255 PolarHBondContact O-N 3.34Å; T244-I255 HydrophobicContact CG2-CD1 4.3Å; V253-I255 HydrophobicContact CG1-CG1 4.14Å |
| 256 | L | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 130.9 | 176.4 | -171.8 | 66.1 | 0 | 0 | 0 | 111.3 | L206 Q209 S210 V212 F241 K258 L260 | L206-L256 HydrophobicContact CB-CD2 4.38Å; L206-L256 HydrophobicContact CD2-CD2 4.27Å; L206-L256 HydrophobicContact CG-CD2 4.36Å; L206-L256 WeakPolarHBondContact O-CD2 3.44Å; Q209-L256 WeakPolarHBondContact CA-O 3.37Å; Q209-L256 PolarHBondContact N-O 3.38Å; S210-L256 PolarHBondContact O-N 3.33Å; V212-L256 HydrophobicContact CG2-CB 3.81Å; F241-L256 HydrophobicContact CD1-CD1 4.11Å; F241-L256 HydrophobicContact CE1-CD1 3.73Å; F241-L256 HydrophobicContact CZ-CD1 4.4Å; L256-K258 WeakPolarHBondContact CD1-O 3.37Å; L256-K258 WeakPolarHBondContact CG-O 3.15Å; L256-L260 HydrophobicContact CD1-CD1 4.22Å; L256-L260 HydrophobicContact CD1-CD2 3.72Å; L256-L260 HydrophobicContact CD1-CG 3.78Å; L256-L260 HydrophobicContact CD2-CD1 4.17Å; L256-L260 HydrophobicContact CD2-CG 3.97Å |
| 257 | Q | 96.4 | Very high | 94.4 | Very high | 62 Ų | 62 | 61.8 Ų | 61.8 | 29% | 0.29 | 32% | 0.321 | S | S | . | . | trans | -110.8 | -18.8 | -179 | -64.3 | -58.9 | -47.7 | 0 | 0 | 113.9 | V208 G239 M240 N242 | V208-Q257 VanDerWaalsContact CG1-O 3.3Å; V208-Q257 WeakPolarHBondContact CG1-O 3.44Å; G239-Q257 WeakPolarHBondContact O-CB 3.43Å; M240-Q257 PolarHBondContact O-N 2.96Å; N242-Q257 HydrophobicContact CB-CG 3.78Å | ||
| 258 | K | 95.6 | Very high | 94.6 | Very high | 103 Ų | 103 | 53.8 Ų | 53.8 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -137.6 | 151 | 179.3 | -70.9 | 179.3 | -179 | 175.8 | 0 | 109.3 | M240 L256 | M240-K258 HydrophobicContact CE-CB 3.99Å; M240-K258 HydrophobicContact SD-CB 3.54Å; M240-K258 VanDerWaalsContact SD-CB 3.54Å; M240-K258 HydrophobicContact SD-CD 3.64Å; M240-K258 HydrophobicContact SD-CG 4.19Å; L256-K258 WeakPolarHBondContact CD1-O 3.37Å; L256-K258 WeakPolarHBondContact CG-O 3.15Å |
| 259 | P | 95.5 | Very high | 94.8 | Very high | 95 Ų | 95 | 48.1 Ų | 48.1 | 62% | 0.617 | 26% | 0.261 | S | S | * | . | trans | -59 | 145.2 | 178.3 | 26 | -34.3 | 0 | 0 | 0 | 110.7 | V208 M240 | V208-P259 HydrophobicContact CG2-CB 4.5Å; M240-P259 WeakPolarHBondContact CE-O 3.14Å | ||
| 260 | L | 95.1 | Very high | 95 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | trans | -87.3 | 153.2 | 172 | -62.6 | 172.2 | 0 | 0 | 0 | 108.7 | V202 E204 M240 F241 L256 F268 V299 | V202-L260 HydrophobicContact CG2-CD1 3.57Å; E204-L260 HydrophobicContact CB-CB 4.19Å; M240-L260 HydrophobicContact CE-CD2 4.05Å; F241-L260 HydrophobicContact CZ-CD2 4.16Å; L256-L260 HydrophobicContact CD1-CD1 4.22Å; L256-L260 HydrophobicContact CD1-CD2 3.72Å; L256-L260 HydrophobicContact CD1-CG 3.78Å; L256-L260 HydrophobicContact CD2-CD1 4.17Å; L256-L260 HydrophobicContact CD2-CG 3.97Å; L260-F268 HydrophobicContact CD2-CD2 4.47Å; L260-F268 HydrophobicContact CD2-CE2 3.73Å; L260-F268 HydrophobicContact CD2-CZ 4.19Å; L260-V299 HydrophobicContact CB-CG1 4.28Å; L260-V299 HydrophobicContact CD1-CG2 4.3Å; L260-V299 HydrophobicContact CD2-CG2 4.28Å | ||
| 261 | D | 93.1 | Very high | 95.2 | Very high | 66 Ų | 66 | 49 Ų | 49 | 35% | 0.353 | 26% | 0.257 | S | S | . | . | trans | -149.1 | 110.1 | -179.4 | 166.6 | -16.2 | 0 | 0 | 0 | 105.6 | E263 T264 R265 | D261-E263 WeakPolarHBondContact OD1-CB 3.3Å; D261-E263 PolarHBondContact OD1-N 2.71Å; D261-E263 VanDerWaalsContact OD1-N 3.12Å; D261-T264 VanDerWaalsContact CG-OG1 3.25Å; D261-T264 PolarHBondContact OD1-N 3.01Å; D261-T264 PolarHBondContact OD1-OG1 2.83Å; D261-T264 WeakPolarHBondContact OD2-CB 3.08Å; D261-T264 PolarHBondContact OD2-OG1 2.97Å; D261-R265 CarbonylContact O-C 3.56Å; D261-R265 PolarHBondContact O-N 2.91Å | ||
| 262 | F | 93.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 26% | 0.263 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -41.7 | -174.6 | 175.3 | -94.2 | 0 | 0 | 0 | 111.2 | E204 T264 R265 S266 V299 D301 | E204-F262 HydrophobicContact CB-CB 4.38Å; E204-F262 VanDerWaalsContact OE2-CB 3.3Å; E204-F262 WeakPolarHBondContact OE2-CB 3.28Å; E204-F262 PolarHBondContact OE2-N 3.09Å; F262-T264 VanDerWaalsContact C-N 3.29Å; F262-T264 PolarHBondContact O-N 2.93Å; F262-R265 CarbonylContact O-C 3.57Å; F262-R265 VanDerWaalsContact O-C 3.29Å; F262-R265 PolarHBondContact O-N 2.87Å; F262-R265 VanDerWaalsContact O-N 3.16Å; F262-S266 PolarHBondContact O-N 2.8Å; F262-V299 HydrophobicContact CB-CG1 4.18Å; F262-V299 HydrophobicContact CD2-CB 4.35Å; F262-V299 HydrophobicContact CD2-CG1 4.37Å; F262-V299 VanDerWaalsContact CD2-O 3.26Å; F262-V299 WeakPolarHBondContact CD2-O 3.35Å; F262-V299 WeakPolarHBondContact CE2-O 3.17Å; F262-D301 HydrophobicContact CB-CB 4.43Å; F262-D301 HydrophobicContact CD1-CB 3.58Å; F262-D301 HydrophobicContact CD2-CB 3.94Å; F262-D301 HydrophobicContact CE1-CB 3.68Å; F262-D301 HydrophobicContact CE2-CB 4.01Å; F262-D301 HydrophobicContact CG-CB 3.72Å; F262-D301 HydrophobicContact CZ-CB 3.9Å |
| 263 | E | 91 | Very high | 95.2 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -39.6 | -179.2 | -71.9 | 54.6 | -120.6 | 0 | 0 | 110.9 | D261 P335 | D261-E263 WeakPolarHBondContact OD1-CB 3.3Å; D261-E263 PolarHBondContact OD1-N 2.71Å; D261-E263 VanDerWaalsContact OD1-N 3.12Å; E263-P335 HydrophobicContact CG-CB 4.11Å; E263-P335 WeakPolarHBondContact CG-O 3.36Å |
| 264 | T | 90.9 | Very high | 95.1 | Very high | 108 Ų | 108 | 46.9 Ų | 46.9 | 66% | 0.663 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -47.7 | 173.4 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | D261 F262 | D261-T264 VanDerWaalsContact CG-OG1 3.25Å; D261-T264 PolarHBondContact OD1-N 3.01Å; D261-T264 PolarHBondContact OD1-OG1 2.83Å; D261-T264 WeakPolarHBondContact OD2-CB 3.08Å; D261-T264 PolarHBondContact OD2-OG1 2.97Å; F262-T264 VanDerWaalsContact C-N 3.29Å; F262-T264 PolarHBondContact O-N 2.93Å |
| 265 | R | 92.3 | Very high | 94.8 | Very high | 112 Ų | 112 | 48.2 Ų | 48.2 | 42% | 0.423 | 26% | 0.255 | S | S | . | . | trans | -157.7 | 109.9 | -178 | -168.4 | 172.9 | -65.4 | -159 | -1.2 | 113.5 | D236 D261 F262 G267 F268 | D236-R265 IonicContact OD1-NH1 3.07Å; D261-R265 CarbonylContact O-C 3.56Å; D261-R265 PolarHBondContact O-N 2.91Å; F262-R265 CarbonylContact O-C 3.57Å; F262-R265 VanDerWaalsContact O-C 3.29Å; F262-R265 PolarHBondContact O-N 2.87Å; F262-R265 VanDerWaalsContact O-N 3.16Å; R265-G267 VanDerWaalsContact C-N 3.27Å; R265-G267 WeakPolarHBondContact CD-O 3.3Å; R265-G267 VanDerWaalsContact CG-O 3.3Å; R265-G267 WeakPolarHBondContact CG-O 3.05Å; R265-G267 PolarHBondContact O-N 2.92Å; R265-F268 HydrophobicContact CB-CZ 4.27Å; R265-F268 HydrophobicContact CG-CE1 4.46Å; R265-F268 HydrophobicContact CG-CZ 4.23Å | ||
| 266 | S | 93.6 | Very high | 94.4 | Very high | 69 Ų | 69 | 47.1 Ų | 47.1 | 48% | 0.483 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -76.5 | 3 | 179.3 | 70.3 | 0 | 0 | 0 | 0 | 116.5 | F262 V299 | F262-S266 PolarHBondContact O-N 2.8Å; S266-V299 PolarHBondContact O-N 2.77Å |
| 267 | G | 94.8 | Very high | 93.8 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 27% | 0.268 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | 156.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | R265 V297 | R265-G267 VanDerWaalsContact C-N 3.27Å; R265-G267 WeakPolarHBondContact CD-O 3.3Å; R265-G267 VanDerWaalsContact CG-O 3.3Å; R265-G267 WeakPolarHBondContact CG-O 3.05Å; R265-G267 PolarHBondContact O-N 2.92Å; G267-V297 CarbonylContact C-O 3.56Å; G267-V297 WeakPolarHBondContact CA-O 3.42Å |
| 268 | F | 96 | Very high | 93 | Very high | 16 Ų | 16 | 54.1 Ų | 54.1 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.7 | -176.6 | -60.5 | -95.5 | 0 | 0 | 0 | 110.5 | D236 M240 F241 L260 R265 K296 V297 V299 | D236-F268 HydrophobicContact CB-CB 4.2Å; D236-F268 HydrophobicContact CB-CD1 3.8Å; D236-F268 HydrophobicContact CB-CG 4.44Å; M240-F268 HydrophobicContact CE-CE1 4.46Å; M240-F268 HydrophobicContact CE-CZ 4.1Å; M240-F268 HydrophobicContact CG-CE1 4.23Å; F241-F268 HydrophobicContact CE2-CB 3.83Å; F241-F268 AromaticContact CE2-CD1 3.72Å; F241-F268 HydrophobicContact CE2-CD1 3.72Å; F241-F268 HydrophobicContact CE2-CD2 4.04Å; F241-F268 HydrophobicContact CE2-CE1 4.28Å; F241-F268 AromaticContact CE2-CG 3.58Å; F241-F268 HydrophobicContact CE2-CG 3.58Å; F241-F268 HydrophobicContact CZ-CB 4.22Å; F241-F268 HydrophobicContact CZ-CD1 4.36Å; F241-F268 AromaticContact CZ-CD2 3.85Å; F241-F268 HydrophobicContact CZ-CD2 3.85Å; F241-F268 HydrophobicContact CZ-CE2 4.34Å; F241-F268 AromaticContact CZ-CG 3.88Å; F241-F268 HydrophobicContact CZ-CG 3.88Å; L260-F268 HydrophobicContact CD2-CD2 4.47Å; L260-F268 HydrophobicContact CD2-CE2 3.73Å; L260-F268 HydrophobicContact CD2-CZ 4.19Å; R265-F268 HydrophobicContact CB-CZ 4.27Å; R265-F268 HydrophobicContact CG-CE1 4.46Å; R265-F268 HydrophobicContact CG-CZ 4.23Å; F268-K296 CarbonylContact O-C 3.57Å; F268-K296 WeakPolarHBondContact O-CA 3.4Å; F268-V297 HydrophobicContact CB-CB 4.38Å; F268-V297 PolarHBondContact N-O 3.1Å; F268-V297 PolarHBondContact O-N 3.5Å; F268-V299 HydrophobicContact CD2-CG2 4.02Å; F268-V299 HydrophobicContact CE2-CG2 3.76Å |
| 269 | A | 96.2 | Very high | 92.1 | Very high | 36 Ų | 36 | 53.6 Ų | 53.6 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G235 D236 | G235-A269 CarbonylContact C-O 3.55Å; G235-A269 WeakPolarHBondContact CA-O 3.45Å; D236-A269 PolarHBondContact N-O 2.79Å; D236-A269 PolarHBondContact OD2-N 3.36Å |
| 270 | L | 96.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.8 | 177.1 | -52.3 | 177.8 | 0 | 0 | 0 | 109.2 | F241 I254 I272 S294 V295 V297 | F241-L270 HydrophobicContact CB-CD1 4.16Å; F241-L270 HydrophobicContact CD2-CD1 3.9Å; F241-L270 HydrophobicContact CD2-CD2 3.82Å; F241-L270 HydrophobicContact CD2-CG 4.4Å; F241-L270 HydrophobicContact CE2-CD1 4.48Å; F241-L270 HydrophobicContact CE2-CD2 4.32Å; F241-L270 HydrophobicContact CG-CD1 3.95Å; I254-L270 HydrophobicContact CD1-CD1 4.41Å; I254-L270 HydrophobicContact CG2-CD1 4.28Å; L270-I272 HydrophobicContact CB-CD1 4.46Å; L270-I272 HydrophobicContact CB-CG1 4.29Å; L270-S294 CarbonylContact O-C 3.55Å; L270-S294 WeakPolarHBondContact O-CA 3.31Å; L270-V295 HydrophobicContact CB-CB 4.46Å; L270-V295 PolarHBondContact N-O 2.83Å; L270-V295 PolarHBondContact O-N 2.97Å; L270-V297 HydrophobicContact CD1-CG2 4.48Å |
| 271 | R | 96.4 | Very high | 90.3 | Very high | 111 Ų | 111 | 55.1 Ų | 55.1 | 42% | 0.419 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 123.3 | 165.5 | -65.8 | -161.5 | -65.8 | 141.7 | -0.7 | 109.3 | M233 D234 I292 | M233-R271 PolarHBondContact N-O 3.17Å; D234-R271 PolarHBondContact O-N 2.95Å; D234-R271 WeakPolarHBondContact OD1-CB 3.48Å; D234-R271 WeakPolarHBondContact OD1-CG 3.06Å; D234-R271 IonicContact OD1-CZ 3.64Å; D234-R271 IonicContact OD1-NE 3.38Å; D234-R271 PolarHBondContact OD1-NE 3.04Å; D234-R271 IonicContact OD1-NH2 3.76Å; D234-R271 PolarHBondContact OD1-NH2 2.64Å; D234-R271 VanDerWaalsContact OD1-NH2 3.1Å; D234-R271 IonicContact OD2-CZ 3.26Å; D234-R271 IonicContact OD2-NE 3.83Å; D234-R271 PolarHBondContact OD2-NE 3.4Å; D234-R271 IonicContact OD2-NH2 3.5Å; D234-R271 PolarHBondContact OD2-NH2 2.01Å; R271-I292 HydrophobicContact CB-CG2 4.45Å |
| 272 | I | 96.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.3 | -172.7 | -57.1 | 179.6 | 0 | 0 | 0 | 108.6 | I215 Y230 R231 I232 I243 I254 L270 I292 T293 V295 | I215-I272 HydrophobicContact CD1-CB 3.99Å; I215-I272 HydrophobicContact CD1-CD1 3.59Å; I215-I272 HydrophobicContact CD1-CG1 4.39Å; I215-I272 HydrophobicContact CD1-CG2 3.45Å; I215-I272 VanDerWaalsContact CD1-CG2 3.45Å; Y230-I272 HydrophobicContact CD1-CG2 4.3Å; R231-I272 WeakPolarHBondContact O-CA 3.49Å; I232-I272 HydrophobicContact CG1-CG1 4.4Å; I243-I272 HydrophobicContact CD1-CD1 4.18Å; I243-I272 HydrophobicContact CD1-CG2 3.7Å; I254-I272 HydrophobicContact CD1-CD1 3.29Å; I254-I272 HydrophobicContact CG1-CD1 4.12Å; L270-I272 HydrophobicContact CB-CD1 4.46Å; L270-I272 HydrophobicContact CB-CG1 4.29Å; I272-I292 CarbonylContact O-C 3.56Å; I272-I292 VanDerWaalsContact O-CA 3.31Å; I272-I292 WeakPolarHBondContact O-CA 3.37Å; I272-T293 HydrophobicContact CB-CG2 4.39Å; I272-T293 PolarHBondContact N-O 2.82Å; I272-T293 PolarHBondContact O-N 3.36Å; I272-V295 HydrophobicContact CD1-CB 3.89Å; I272-V295 HydrophobicContact CD1-CG2 3.42Å; I272-V295 VanDerWaalsContact CD1-CG2 3.42Å; I272-V295 HydrophobicContact CG1-CG2 4.25Å |
| 273 | E | 95.8 | Very high | 88.8 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 135.9 | 174.8 | -172.1 | 177.2 | -169.4 | 0 | 0 | 109.8 | Y230 R231 M233 T275 S290 D291 I292 | Y230-E273 WeakPolarHBondContact CA-O 3.36Å; R231-E273 HydrophobicContact CG-CB 3.96Å; R231-E273 IonicContact CZ-OE2 3.85Å; R231-E273 PolarHBondContact N-O 3.37Å; R231-E273 IonicContact NE-OE2 3.28Å; R231-E273 PolarHBondContact NE-OE2 2.78Å; R231-E273 VanDerWaalsContact NH2-CD 3.34Å; R231-E273 IonicContact NH2-OE1 2.86Å; R231-E273 PolarHBondContact NH2-OE1 3.49Å; R231-E273 IonicContact NH2-OE2 3.87Å; R231-E273 PolarHBondContact NH2-OE2 2.89Å; R231-E273 PolarHBondContact O-N 3.44Å; M233-E273 WeakPolarHBondContact CE-OE2 2.94Å; M233-E273 HydrophobicContact CG-CB 3.78Å; M233-E273 HydrophobicContact SD-CB 4.48Å; E273-T275 HydrophobicContact CG-CG2 3.75Å; E273-S290 WeakPolarHBondContact OE1-CB 3Å; E273-S290 PolarHBondContact OE1-OG 3.31Å; E273-D291 VanDerWaalsContact CA-O 3.31Å; E273-D291 WeakPolarHBondContact CA-O 3.2Å; E273-I292 HydrophobicContact CB-CG1 4.07Å; E273-I292 HydrophobicContact CG-CG1 3.92Å |
| 274 | A | 95.6 | Very high | 88 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.2 | 164 | 0 | 0 | 0 | 0 | 0 | 108.1 | P191 F193 A217 Y230 S290 D291 | P191-A274 HydrophobicContact CB-CB 4.2Å; P191-A274 HydrophobicContact CG-CB 4.24Å; F193-A274 HydrophobicContact CE2-CB 3.72Å; F193-A274 HydrophobicContact CZ-CB 3.6Å; A217-A274 HydrophobicContact CB-CB 3.78Å; Y230-A274 HydrophobicContact CD1-CB 3.92Å; Y230-A274 HydrophobicContact CE1-CB 3.75Å; A274-S290 WeakPolarHBondContact O-CA 3.08Å; A274-S290 VanDerWaalsContact O-CB 3.32Å; A274-S290 WeakPolarHBondContact O-CB 3.36Å; A274-D291 PolarHBondContact N-O 3.49Å; A274-D291 PolarHBondContact O-N 3.2Å |
| 275 | T | 91.9 | Very high | 87.3 | Confident | 29 Ų | 29 | 57.5 Ų | 57.5 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.6 | -179.7 | 60.8 | 0 | 0 | 0 | 0 | 109.4 | M228 D229 E273 R277 | M228-T275 CarbonylContact C-O 3.39Å; M228-T275 VanDerWaalsContact CA-O 3.28Å; M228-T275 WeakPolarHBondContact CA-O 3.22Å; D229-T275 PolarHBondContact N-O 3.42Å; D229-T275 PolarHBondContact O-N 3.03Å; D229-T275 PolarHBondContact O-OG1 3.27Å; E273-T275 HydrophobicContact CG-CG2 3.75Å; T275-R277 PolarHBondContact O-N 2.8Å |
| 276 | N | 89.2 | Confident | 86.3 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 141.2 | 167.7 | -64.9 | 99.7 | 0 | 0 | 0 | 109.8 | P191 D219 N225 E227 N278 F289 | P191-N276 VanDerWaalsContact CD-CG 3.48Å; P191-N276 WeakPolarHBondContact CD-OD1 3.3Å; D219-N276 PolarHBondContact OD2-ND2 2.81Å; N225-N276 PolarHBondContact O-ND2 2.81Å; E227-N276 WeakPolarHBondContact O-CA 3.18Å; N276-N278 VanDerWaalsContact C-N 3.33Å; N276-F289 PolarHBondContact N-O 2.74Å |
| 277 | R | 83.3 | Confident | 85.2 | Confident | 137 Ų | 137 | 55.1 Ų | 55.1 | 52% | 0.517 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -66.7 | -38.5 | 173.1 | 173.9 | 173.4 | -84.8 | 172.8 | -6.6 | 111.7 | E227 D229 T275 | E227-R277 HydrophobicContact CB-CB 4.34Å; E227-R277 PolarHBondContact O-N 2.93Å; E227-R277 IonicContact OE2-CZ 3.97Å; E227-R277 IonicContact OE2-NH1 3.02Å; E227-R277 PolarHBondContact OE2-NH1 2.85Å; E227-R277 VanDerWaalsContact OE2-NH1 3.08Å; D229-R277 IonicContact OD1-CZ 2.82Å; D229-R277 IonicContact OD1-NE 3.08Å; D229-R277 IonicContact OD1-NH2 3.99Å; D229-R277 PolarHBondContact OD1-NH2 2.77Å; D229-R277 IonicContact OD2-CZ 3.03Å; D229-R277 IonicContact OD2-NE 3.73Å; D229-R277 PolarHBondContact OD2-NE 2.83Å; D229-R277 VanDerWaalsContact OD2-NE 3.17Å; D229-R277 IonicContact OD2-NH2 3.61Å; T275-R277 PolarHBondContact O-N 2.8Å |
| 278 | N | 80.8 | Confident | 84.4 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -111.5 | 82.7 | -171.6 | -64.3 | -49.1 | 0 | 0 | 0 | 111.2 | N187 S224 N276 D280 | N187-N278 PolarHBondContact ND2-O 1.97Å; S224-N278 PolarHBondContact O-ND2 3.18Å; N276-N278 VanDerWaalsContact C-N 3.33Å; N278-D280 PolarHBondContact O-N 2.85Å |
| 279 | I | 76.2 | Confident | 83.8 | Confident | 93 Ų | 93 | 57.7 Ų | 57.7 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | trans | -79.2 | 120.4 | -179.9 | -56.7 | 173.5 | 0 | 0 | 0 | 110.1 | L284 F289 | I279-L284 HydrophobicContact CG2-CD2 3.57Å; I279-L284 HydrophobicContact CG2-CG 4.4Å; I279-F289 HydrophobicContact CD1-CB 4.44Å; I279-F289 HydrophobicContact CG1-CB 4.21Å; I279-F289 HydrophobicContact CG2-CB 4.31Å; I279-F289 HydrophobicContact CG2-CD2 4.35Å; I279-F289 HydrophobicContact CG2-CG 4.22Å | ||
| 280 | D | 75.4 | Confident | 83.5 | Confident | 51 Ų | 51 | 57.1 Ų | 57.1 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | trans | -87.2 | 121.9 | 171 | -175.2 | -11.9 | 0 | 0 | 0 | 111.1 | N278 N282 F283 | N278-D280 PolarHBondContact O-N 2.85Å; D280-N282 PolarHBondContact O-N 2.96Å; D280-N282 WeakPolarHBondContact OD1-CB 2.89Å; D280-N282 PolarHBondContact OD1-N 2.99Å; D280-N282 PolarHBondContact OD1-ND2 2.7Å; D280-N282 PolarHBondContact OD2-ND2 3.43Å; D280-F283 HydrophobicContact CB-CD2 3.86Å; D280-F283 HydrophobicContact CB-CE2 4.44Å; D280-F283 PolarHBondContact O-N 2.73Å; D280-F283 VanDerWaalsContact O-N 3.17Å; D280-F283 WeakPolarHBondContact OD2-CE2 3.05Å | ||
| 281 | S | 78 | Confident | 83.4 | Confident | 87 Ų | 87 | 58.9 Ų | 58.9 | 61% | 0.608 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.4 | 177.7 | 57.9 | 0 | 0 | 0 | 0 | 114.9 | F283 | S281-F283 VanDerWaalsContact C-N 3.26Å; S281-F283 PolarHBondContact O-N 3.46Å |
| 282 | N | 77.3 | Confident | 83.4 | Confident | 114 Ų | 114 | 57.1 Ų | 57.1 | 61% | 0.61 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -28.6 | -179.1 | -63.3 | -44.9 | 0 | 0 | 0 | 112.1 | D280 | D280-N282 PolarHBondContact O-N 2.96Å; D280-N282 WeakPolarHBondContact OD1-CB 2.89Å; D280-N282 PolarHBondContact OD1-N 2.99Å; D280-N282 PolarHBondContact OD1-ND2 2.7Å; D280-N282 PolarHBondContact OD2-ND2 3.43Å |
| 283 | F | 77 | Confident | 83.4 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 13% | 0.132 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -3 | -173.8 | -58 | -75.6 | 0 | 0 | 0 | 113.5 | M96 V186 D188 D280 S281 S285 L286 F289 | M96-F283 HydrophobicContact CE-CE1 4.2Å; M96-F283 HydrophobicContact SD-CD1 4.21Å; M96-F283 HydrophobicContact SD-CE1 3.68Å; V186-F283 HydrophobicContact CG1-CD2 3.86Å; V186-F283 HydrophobicContact CG1-CE1 4.05Å; V186-F283 HydrophobicContact CG1-CE2 3.07Å; V186-F283 HydrophobicContact CG1-CZ 3.2Å; D188-F283 HydrophobicContact CB-CD1 4.07Å; D188-F283 HydrophobicContact CB-CG 4.37Å; D280-F283 HydrophobicContact CB-CD2 3.86Å; D280-F283 HydrophobicContact CB-CE2 4.44Å; D280-F283 PolarHBondContact O-N 2.73Å; D280-F283 VanDerWaalsContact O-N 3.17Å; D280-F283 WeakPolarHBondContact OD2-CE2 3.05Å; S281-F283 VanDerWaalsContact C-N 3.26Å; S281-F283 PolarHBondContact O-N 3.46Å; F283-S285 PolarHBondContact O-N 2.66Å; F283-L286 HydrophobicContact CB-CD1 4.17Å; F283-L286 HydrophobicContact CD1-CD1 3.85Å; F283-L286 HydrophobicContact CG-CD1 4.48Å; F283-L286 VanDerWaalsContact O-CB 3.31Å; F283-L286 WeakPolarHBondContact O-CB 3.25Å; F283-L286 PolarHBondContact O-N 3.31Å; F283-F289 VanDerWaalsContact C-CE2 3.49Å; F283-F289 HydrophobicContact CB-CE2 4.16Å; F283-F289 HydrophobicContact CB-CZ 3.56Å; F283-F289 VanDerWaalsContact O-CE2 3.28Å; F283-F289 WeakPolarHBondContact O-CE2 3.41Å |
| 284 | L | 74.8 | Confident | 83.4 | Confident | 95 Ų | 95 | 58.2 Ų | 58.2 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -51.4 | -24.3 | 175.3 | -72.8 | 175.1 | 0 | 0 | 0 | 114.5 | I279 L286 F289 | I279-L284 HydrophobicContact CG2-CD2 3.57Å; I279-L284 HydrophobicContact CG2-CG 4.4Å; L284-L286 VanDerWaalsContact C-N 3.28Å; L284-L286 PolarHBondContact O-N 2.7Å; L284-F289 HydrophobicContact CD2-CD2 4.16Å |
| 285 | S | 75.2 | Confident | 83.5 | Confident | 110 Ų | 110 | 58.2 Ų | 58.2 | 77% | 0.769 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -72.7 | -17.2 | 176.8 | 66.7 | 0 | 0 | 0 | 0 | 114.2 | F283 G287 | F283-S285 PolarHBondContact O-N 2.66Å; S285-G287 VanDerWaalsContact C-N 3.35Å |
| 286 | L | 71.1 | Confident | 83.7 | Confident | 103 Ų | 103 | 62 Ų | 62 | 54% | 0.539 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -79.8 | -15.1 | 179.7 | -63.1 | 178.7 | 0 | 0 | 0 | 113.2 | D188 F283 L284 | D188-L286 HydrophobicContact CB-CD1 4.16Å; F283-L286 HydrophobicContact CB-CD1 4.17Å; F283-L286 HydrophobicContact CD1-CD1 3.85Å; F283-L286 HydrophobicContact CG-CD1 4.48Å; F283-L286 VanDerWaalsContact O-CB 3.31Å; F283-L286 WeakPolarHBondContact O-CB 3.25Å; F283-L286 PolarHBondContact O-N 3.31Å; L284-L286 VanDerWaalsContact C-N 3.28Å; L284-L286 PolarHBondContact O-N 2.7Å |
| 287 | G | 71.2 | Confident | 84.1 | Confident | 28 Ų | 28 | 62 Ų | 62 | 29% | 0.289 | 34% | 0.342 | S | S | . | . | trans | 142.9 | -173.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S285 F289 | S285-G287 VanDerWaalsContact C-N 3.35Å; G287-F289 PolarHBondContact O-N 3.23Å | ||
| 288 | P | 77.9 | Confident | 84.7 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | trans | -68.3 | 127.5 | 173.8 | 27.9 | -31.7 | 0 | 0 | 0 | 110.3 | S290 | P288-S290 PolarHBondContact O-N 3.41Š| ||
| 289 | F | 84.1 | Confident | 85.5 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -76.3 | 34.7 | 170.3 | -78 | -96.8 | 0 | 0 | 0 | 112.7 | N187 P190 N276 I279 F283 L284 G287 | N187-F289 WeakPolarHBondContact O-CE1 3.31Å; N187-F289 WeakPolarHBondContact OD1-CE1 3.09Å; P190-F289 HydrophobicContact CB-CD1 4.31Å; N276-F289 PolarHBondContact N-O 2.74Å; I279-F289 HydrophobicContact CD1-CB 4.44Å; I279-F289 HydrophobicContact CG1-CB 4.21Å; I279-F289 HydrophobicContact CG2-CB 4.31Å; I279-F289 HydrophobicContact CG2-CD2 4.35Å; I279-F289 HydrophobicContact CG2-CG 4.22Å; F283-F289 VanDerWaalsContact C-CE2 3.49Å; F283-F289 HydrophobicContact CB-CE2 4.16Å; F283-F289 HydrophobicContact CB-CZ 3.56Å; F283-F289 VanDerWaalsContact O-CE2 3.28Å; F283-F289 WeakPolarHBondContact O-CE2 3.41Å; L284-F289 HydrophobicContact CD2-CD2 4.16Å; G287-F289 PolarHBondContact O-N 3.23Å |
| 290 | S | 90.3 | Very high | 86.4 | Confident | 25 Ų | 25 | 50.6 Ų | 50.6 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 157.3 | 178.5 | 72.8 | 0 | 0 | 0 | 0 | 111.3 | R192 E273 A274 P288 | R192-S290 PolarHBondContact NH1-O 3.35Å; E273-S290 WeakPolarHBondContact OE1-CB 3Å; E273-S290 PolarHBondContact OE1-OG 3.31Å; A274-S290 WeakPolarHBondContact O-CA 3.08Å; A274-S290 VanDerWaalsContact O-CB 3.32Å; A274-S290 WeakPolarHBondContact O-CB 3.36Å; P288-S290 PolarHBondContact O-N 3.41Å |
| 291 | D | 94.3 | Very high | 87.2 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 22% | 0.219 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 152.4 | 172.4 | -166.9 | 22.5 | 0 | 0 | 0 | 109.9 | P191 R192 F193 E273 A274 | P191-D291 WeakPolarHBondContact O-CB 3.44Å; R192-D291 IonicContact NH1-OD1 3.17Å; F193-D291 HydrophobicContact CD2-CB 4.11Å; F193-D291 WeakPolarHBondContact CE2-O 3.22Å; F193-D291 PolarHBondContact N-OD2 2.77Å; E273-D291 VanDerWaalsContact CA-O 3.31Å; E273-D291 WeakPolarHBondContact CA-O 3.2Å; A274-D291 PolarHBondContact N-O 3.49Å; A274-D291 PolarHBondContact O-N 3.2Å |
| 292 | I | 95.4 | Very high | 87.8 | Confident | 74 Ų | 74 | 49.5 Ų | 49.5 | 38% | 0.379 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 131.8 | -173.9 | -58 | 173.1 | 0 | 0 | 0 | 109.1 | R271 I272 E273 | R271-I292 HydrophobicContact CB-CG2 4.45Å; I272-I292 CarbonylContact O-C 3.56Å; I272-I292 VanDerWaalsContact O-CA 3.31Å; I272-I292 WeakPolarHBondContact O-CA 3.37Å; E273-I292 HydrophobicContact CB-CG1 4.07Å; E273-I292 HydrophobicContact CG-CG1 3.92Å |
| 293 | T | 96.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 159 | 173.2 | -166 | 0 | 0 | 0 | 0 | 111.3 | F193 H195 K196 Y198 I215 I272 V295 | F193-T293 HydrophobicContact CD1-CG2 3.73Å; F193-T293 HydrophobicContact CD2-CG2 3.78Å; F193-T293 HydrophobicContact CE1-CG2 3.7Å; F193-T293 HydrophobicContact CE2-CG2 3.74Å; F193-T293 HydrophobicContact CG-CG2 3.76Å; F193-T293 HydrophobicContact CZ-CG2 3.7Å; H195-T293 PolarHBondContact O-OG1 3.16Å; K196-T293 VanDerWaalsContact C-OG1 3.26Å; K196-T293 PolarHBondContact O-OG1 3.5Å; Y198-T293 HydrophobicContact CD2-CG2 4.11Å; Y198-T293 HydrophobicContact CE2-CG2 4.07Å; I215-T293 HydrophobicContact CD1-CG2 4.48Å; I272-T293 HydrophobicContact CB-CG2 4.39Å; I272-T293 PolarHBondContact N-O 2.82Å; I272-T293 PolarHBondContact O-N 3.36Å; T293-V295 HydrophobicContact CG2-CG2 4.44Å |
| 294 | S | 96.6 | Very high | 88.9 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.8 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 111 | K196 S197 Y198 L270 | K196-S294 PolarHBondContact O-N 3.38Å; K196-S294 VanDerWaalsContact O-N 3.08Å; S197-S294 CarbonylContact C-O 3.57Å; S197-S294 WeakPolarHBondContact CA-O 3.46Å; S197-S294 WeakPolarHBondContact CB-O 3.01Å; Y198-S294 PolarHBondContact N-O 2.76Å; L270-S294 CarbonylContact O-C 3.55Å; L270-S294 WeakPolarHBondContact O-CA 3.31Å |
| 295 | V | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118 | 174 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | Y198 Y200 I215 I254 L270 I272 T293 V297 | Y198-V295 HydrophobicContact CD2-CG2 4.49Å; Y198-V295 WeakPolarHBondContact O-CA 3.41Å; Y200-V295 HydrophobicContact CD2-CG1 3.76Å; Y200-V295 HydrophobicContact CE2-CG1 4.05Å; I215-V295 HydrophobicContact CD1-CG2 4.32Å; I215-V295 HydrophobicContact CG2-CG2 4.02Å; I254-V295 HydrophobicContact CD1-CB 4.35Å; I254-V295 HydrophobicContact CD1-CG1 4Å; I254-V295 HydrophobicContact CD1-CG2 4.34Å; L270-V295 HydrophobicContact CB-CB 4.46Å; L270-V295 PolarHBondContact N-O 2.83Å; L270-V295 PolarHBondContact O-N 2.97Å; I272-V295 HydrophobicContact CD1-CB 3.89Å; I272-V295 HydrophobicContact CD1-CG2 3.42Å; I272-V295 VanDerWaalsContact CD1-CG2 3.42Å; I272-V295 HydrophobicContact CG1-CG2 4.25Å; T293-V295 HydrophobicContact CG2-CG2 4.44Å; V295-V297 HydrophobicContact CG1-CG2 4.26Å |
| 296 | K | 96.6 | Very high | 90.5 | Very high | 109 Ų | 109 | 42.1 Ų | 42.1 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 118.4 | 174 | -65.2 | -177.1 | -178.8 | 179.9 | 0 | 109.1 | Y198 Q199 Y200 F268 | Y198-K296 PolarHBondContact O-N 2.77Å; Q199-K296 CarbonylContact C-O 3.43Å; Q199-K296 VanDerWaalsContact CA-O 3.3Å; Q199-K296 WeakPolarHBondContact CA-O 3.33Å; Q199-K296 HydrophobicContact CG-CB 4.4Å; Y200-K296 PolarHBondContact N-O 3.31Å; F268-K296 CarbonylContact O-C 3.57Å; F268-K296 WeakPolarHBondContact O-CA 3.4Å |
| 297 | V | 97 | Very high | 91.6 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 110.8 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 107.2 | Y200 V202 V212 G267 F268 L270 V295 | Y200-V297 CarbonylContact O-C 3.56Å; Y200-V297 WeakPolarHBondContact O-CA 3.19Å; V202-V297 HydrophobicContact CG2-CG1 3.6Å; V212-V297 HydrophobicContact CG1-CG1 3.76Å; V212-V297 HydrophobicContact CG1-CG2 3.89Å; G267-V297 CarbonylContact C-O 3.56Å; G267-V297 WeakPolarHBondContact CA-O 3.42Å; F268-V297 HydrophobicContact CB-CB 4.38Å; F268-V297 PolarHBondContact N-O 3.1Å; F268-V297 PolarHBondContact O-N 3.5Å; L270-V297 HydrophobicContact CD1-CG2 4.48Å; V295-V297 HydrophobicContact CG1-CG2 4.26Å |
| 298 | A | 96.8 | Very high | 92.7 | Very high | 27 Ų | 27 | 40.8 Ų | 40.8 | 22% | 0.223 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 127.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y200 T201 V202 | Y200-A298 PolarHBondContact O-N 3.39Å; T201-A298 VanDerWaalsContact CA-O 3.28Å; T201-A298 WeakPolarHBondContact CA-O 3.43Å; V202-A298 PolarHBondContact N-O 2.87Å |
| 299 | V | 96.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130.6 | 172 | -173.4 | 0 | 0 | 0 | 0 | 107.4 | V202 E204 L260 F262 S266 F268 | V202-V299 CarbonylContact O-C 3.53Å; V202-V299 WeakPolarHBondContact O-CA 3.49Å; E204-V299 HydrophobicContact CB-CG1 3.61Å; L260-V299 HydrophobicContact CB-CG1 4.28Å; L260-V299 HydrophobicContact CD1-CG2 4.3Å; L260-V299 HydrophobicContact CD2-CG2 4.28Å; F262-V299 HydrophobicContact CB-CG1 4.18Å; F262-V299 HydrophobicContact CD2-CB 4.35Å; F262-V299 HydrophobicContact CD2-CG1 4.37Å; F262-V299 VanDerWaalsContact CD2-O 3.26Å; F262-V299 WeakPolarHBondContact CD2-O 3.35Å; F262-V299 WeakPolarHBondContact CE2-O 3.17Å; S266-V299 PolarHBondContact O-N 2.77Å; F268-V299 HydrophobicContact CD2-CG2 4.02Å; F268-V299 HydrophobicContact CE2-CG2 3.76Å |
| 300 | A | 94.9 | Very high | 93.7 | Very high | 29 Ų | 29 | 43 Ų | 43 | 24% | 0.24 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | T201 V202 L203 E204 | T201-A300 HydrophobicContact CG2-CB 3.91Å; V202-A300 PolarHBondContact O-N 3.38Å; L203-A300 HydrophobicContact CD2-CB 4.03Å; E204-A300 PolarHBondContact N-O 3.15Å |
| 301 | D | 92.9 | Very high | 93.5 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 38% | 0.38 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 133.3 | 174.3 | -173.5 | -20 | 0 | 0 | 0 | 110.9 | E204 F262 | E204-D301 WeakPolarHBondContact OE1-CA 3.11Å; F262-D301 HydrophobicContact CB-CB 4.43Å; F262-D301 HydrophobicContact CD1-CB 3.58Å; F262-D301 HydrophobicContact CD2-CB 3.94Å; F262-D301 HydrophobicContact CE1-CB 3.68Å; F262-D301 HydrophobicContact CE2-CB 4.01Å; F262-D301 HydrophobicContact CG-CB 3.72Å; F262-D301 HydrophobicContact CZ-CB 3.9Å |
| 302 | V | 91.3 | Very high | 93.5 | Very high | 45 Ų | 45 | 49 Ų | 49 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | trans | -128.9 | 116.7 | 175.1 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | L203 E204 E304 | L203-V302 HydrophobicContact CB-CG2 3.92Å; L203-V302 HydrophobicContact CD2-CG2 3.84Å; L203-V302 HydrophobicContact CG-CG2 4.32Å; E204-V302 HydrophobicContact CG-CB 4.08Å; E204-V302 HydrophobicContact CG-CG2 4.28Å; E204-V302 PolarHBondContact OE1-N 3.38Å; V302-E304 VanDerWaalsContact O-CG 3.32Å; V302-E304 WeakPolarHBondContact O-CG 3.44Å; V302-E304 PolarHBondContact O-N 2.8Å; V302-E304 VanDerWaalsContact O-N 3.11Å | ||
| 303 | N | 88 | Confident | 93.5 | Very high | 66 Ų | 66 | 46 Ų | 46 | 35% | 0.353 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -48.1 | 116.8 | -177.1 | -162.4 | 113.5 | 0 | 0 | 0 | 113.5 | D336 E387 Q393 | N303-D336 WeakPolarHBondContact CA-OD2 3.3Å; N303-D336 PolarHBondContact ND2-OD2 2.87Å; N303-D336 PolarHBondContact OD1-OD2 3.41Å; N303-E387 PolarHBondContact ND2-OE2 3.12Å; N303-Q393 WeakPolarHBondContact ND2-CG 3.27Å; N303-Q393 PolarHBondContact ND2-NE2 3.31Å; N303-Q393 PolarHBondContact O-NE2 3.45Å |
| 304 | E | 89.3 | Confident | 93.5 | Very high | 74 Ų | 74 | 53.1 Ų | 53.1 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -99.7 | 158.4 | -177.5 | -65.2 | -162 | 106.5 | 0 | 0 | 112.3 | V302 P335 D336 | V302-E304 VanDerWaalsContact O-CG 3.32Å; V302-E304 WeakPolarHBondContact O-CG 3.44Å; V302-E304 PolarHBondContact O-N 2.8Å; V302-E304 VanDerWaalsContact O-N 3.11Å; E304-P335 HydrophobicContact CB-CG 4.28Å; E304-D336 VanDerWaalsContact N-CG 3.34Å; E304-D336 PolarHBondContact N-OD1 2.79Å; E304-D336 PolarHBondContact N-OD2 2.88Å |
| 305 | P | 91.2 | Very high | 93.5 | Very high | 52 Ų | 52 | 53 Ų | 53 | 34% | 0.338 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 152.1 | 174.9 | 28.6 | -33.9 | 0 | 0 | 0 | 112.1 | I307 Q393 | P305-I307 PolarHBondContact O-N 3.44Å; P305-Q393 HydrophobicContact CB-CB 4.47Å; P305-Q393 VanDerWaalsContact N-OE1 3.17Å |
| 306 | P | 92.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.013 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 139 | 176.9 | -26 | 32.5 | 0 | 0 | 0 | 113.6 | I342 A385 E387 G395 | P306-I342 HydrophobicContact CB-CD1 4.1Å; P306-I342 HydrophobicContact CB-CG1 4.32Å; P306-I342 HydrophobicContact CB-CG2 4.43Å; P306-I342 HydrophobicContact CG-CG1 4.26Å; P306-A385 HydrophobicContact CB-CB 4.02Å; P306-E387 HydrophobicContact CG-CB 4.33Å; P306-G395 WeakPolarHBondContact O-CA 3.5Å |
| 307 | I | 92.8 | Very high | 93.4 | Very high | 81 Ų | 81 | 52.9 Ų | 52.9 | 42% | 0.415 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 135 | 179.2 | 61.5 | 169.8 | 0 | 0 | 0 | 112.1 | P305 A332 H333 P335 | P305-I307 PolarHBondContact O-N 3.44Å; I307-A332 CarbonylContact O-C 3.56Å; I307-A332 WeakPolarHBondContact O-CA 3.42Å; I307-A332 WeakPolarHBondContact O-CB 3.34Å; I307-H333 VanDerWaalsContact CG1-CE1 3.46Å; I307-H333 WeakPolarHBondContact CG1-CE1 3.35Å; I307-H333 WeakPolarHBondContact CG1-O 3.16Å; I307-H333 PolarHBondContact N-O 2.83Å; I307-H333 PolarHBondContact O-N 3.16Å; I307-H333 PolarHBondContact O-ND1 3.18Å; I307-P335 HydrophobicContact CD1-CG 4.03Å; I307-P335 HydrophobicContact CG1-CG 3.95Å; I307-P335 HydrophobicContact CG2-CG 4.07Å |
| 308 | F | 94.2 | Very high | 93.3 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 9% | 0.092 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 131.6 | 176.7 | -77.7 | -93.1 | 0 | 0 | 0 | 110.8 | T310 V330 S331 A332 Y344 I383 A385 K396 | F308-T310 PolarHBondContact O-N 3.11Å; F308-V330 HydrophobicContact CD1-CB 4.35Å; F308-V330 HydrophobicContact CE1-CB 4.14Å; F308-V330 HydrophobicContact CE1-CG2 4.05Å; F308-S331 WeakPolarHBondContact CA-O 3.47Å; F308-A332 HydrophobicContact CD1-CB 4.12Å; F308-A332 HydrophobicContact CD2-CB 4.45Å; F308-A332 HydrophobicContact CE1-CB 4.34Å; F308-A332 HydrophobicContact CG-CB 4.19Å; F308-Y344 HydrophobicContact CE1-CD1 4.17Å; F308-Y344 HydrophobicContact CE1-CE1 4.06Å; F308-Y344 HydrophobicContact CZ-CD1 4.31Å; F308-Y344 HydrophobicContact CZ-CE1 4.43Å; F308-I383 HydrophobicContact CE1-CB 4.22Å; F308-I383 HydrophobicContact CE1-CG2 4.13Å; F308-I383 WeakPolarHBondContact CE2-O 3.24Å; F308-I383 HydrophobicContact CZ-CB 3.98Å; F308-I383 HydrophobicContact CZ-CG2 3.91Å; F308-I383 WeakPolarHBondContact CZ-O 3.18Å; F308-A385 HydrophobicContact CD2-CB 4.37Å; F308-A385 HydrophobicContact CE1-CB 4.42Å; F308-A385 HydrophobicContact CE2-CB 3.56Å; F308-A385 HydrophobicContact CZ-CB 3.6Å; F308-K396 VanDerWaalsContact CD2-C 3.5Å |
| 309 | S | 92 | Very high | 93.1 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 48% | 0.483 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -61.3 | -28.8 | 177.9 | -51.7 | 0 | 0 | 0 | 0 | 112.4 | S331 | S309-S331 PolarHBondContact N-O 3.01Å; S309-S331 PolarHBondContact OG-O 2.7Å |
| 310 | T | 91.3 | Very high | 92.9 | Very high | 73 Ų | 73 | 58.7 Ų | 58.7 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -129.7 | 105.9 | 173.3 | 48.6 | 0 | 0 | 0 | 0 | 109.3 | F308 L312 S313 | F308-T310 PolarHBondContact O-N 3.11Å; T310-L312 VanDerWaalsContact C-N 3.29Å; T310-L312 PolarHBondContact O-N 3.26Å; T310-S313 PolarHBondContact O-OG 2.91Å; T310-S313 PolarHBondContact OG1-OG 3.49Å |
| 311 | P | 87 | Confident | 92.9 | Very high | 101 Ų | 101 | 58 Ų | 58 | 66% | 0.656 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -66.6 | -29.2 | -172.6 | 23.5 | -33.2 | 0 | 0 | 0 | 113.5 | I398 | P311-I398 PolarHBondContact O-N 3.44Š|
| 312 | L | 94.4 | Very high | 93 | Very high | 91 Ų | 91 | 64.7 Ų | 64.7 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 106.3 | 171.2 | 179.9 | 64.9 | 0 | 0 | 0 | 109.9 | T310 I398 L400 | T310-L312 VanDerWaalsContact C-N 3.29Å; T310-L312 PolarHBondContact O-N 3.26Å; L312-I398 CarbonylContact C-O 3.58Å; L312-I398 WeakPolarHBondContact CA-O 3.11Å; L312-I398 HydrophobicContact CD1-CB 4.04Å; L312-I398 HydrophobicContact CD1-CG2 3.68Å; L312-L400 HydrophobicContact CD1-CB 4.38Å |
| 313 | S | 95.1 | Very high | 93.2 | Very high | 13 Ų | 13 | 67 Ų | 67 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 121 | 177 | -60.5 | 0 | 0 | 0 | 0 | 109.7 | T310 I398 T399 L400 | T310-S313 PolarHBondContact O-OG 2.91Å; T310-S313 PolarHBondContact OG1-OG 3.49Å; S313-I398 PolarHBondContact N-O 2.98Å; S313-T399 CarbonylContact O-C 3.58Å; S313-T399 VanDerWaalsContact O-CA 3.3Å; S313-T399 WeakPolarHBondContact O-CA 3.44Å; S313-L400 PolarHBondContact O-N 3.32Å |
| 314 | K | 95.9 | Very high | 93.4 | Very high | 151 Ų | 151 | 66.1 Ų | 66.1 | 66% | 0.657 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.8 | 176.8 | -64.2 | -176.2 | -178.7 | -177.3 | 0 | 109.5 | L400 | K314-L400 WeakPolarHBondContact CA-O 3.42Å |
| 315 | L | 95.7 | Very high | 93.7 | Very high | 28 Ų | 28 | 65.2 Ų | 65.2 | 15% | 0.147 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148 | -177.1 | -62.1 | -178.6 | 0 | 0 | 0 | 109.8 | I327 I365 T399 L400 I401 T402 | L315-I327 HydrophobicContact CB-CG2 3.8Å; L315-I327 HydrophobicContact CD1-CG2 4.15Å; L315-I365 HydrophobicContact CD1-CD1 4.1Å; L315-T399 HydrophobicContact CD1-CG2 3.67Å; L315-T399 HydrophobicContact CG-CG2 4.08Å; L315-L400 PolarHBondContact N-O 2.91Å; L315-I401 HydrophobicContact CB-CG1 4.33Å; L315-I401 CarbonylContact O-C 3.52Å; L315-I401 VanDerWaalsContact O-CA 3.31Å; L315-I401 WeakPolarHBondContact O-CA 3.31Å; L315-T402 PolarHBondContact O-N 2.96Å |
| 316 | N | 96.1 | Very high | 93.9 | Very high | 99 Ų | 99 | 66.8 Ų | 66.8 | 53% | 0.529 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139.7 | 177.7 | -62.1 | -4.7 | 0 | 0 | 0 | 109.3 | T402 L404 | N316-T402 WeakPolarHBondContact CA-O 3.32Å; N316-L404 HydrophobicContact CB-CD1 4.12Å; N316-L404 HydrophobicContact CB-CD2 4.28Å; N316-L404 HydrophobicContact CB-CG 4.19Å |
| 317 | V | 96.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.048 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 140.1 | 178 | 64.2 | 0 | 0 | 0 | 0 | 109 | A321 I327 T367 L371 I401 T402 V403 L404 | V317-A321 HydrophobicContact CG2-CB 3.73Å; V317-I327 HydrophobicContact CB-CD1 4.12Å; V317-I327 HydrophobicContact CB-CG1 4.19Å; V317-I327 HydrophobicContact CB-CG2 4.05Å; V317-I327 HydrophobicContact CG1-CD1 4.37Å; V317-I327 HydrophobicContact CG2-CD1 4.1Å; V317-I327 HydrophobicContact CG2-CG1 3.98Å; V317-T367 HydrophobicContact CG2-CG2 3.96Å; V317-L371 HydrophobicContact CB-CD1 4.33Å; V317-L371 HydrophobicContact CG1-CD1 3.39Å; V317-L371 HydrophobicContact CG2-CD1 3.96Å; V317-I401 HydrophobicContact CB-CG2 4.37Å; V317-I401 HydrophobicContact CG1-CG2 3.52Å; V317-T402 PolarHBondContact N-O 3.05Å; V317-V403 HydrophobicContact CG1-CG2 4.27Å; V317-V403 CarbonylContact O-C 3.6Å; V317-V403 VanDerWaalsContact O-CA 3.27Å; V317-V403 WeakPolarHBondContact O-CA 3.38Å; V317-L404 PolarHBondContact O-N 2.98Å |
| 318 | S | 94.2 | Very high | 94.1 | Very high | 35 Ų | 35 | 65.1 Ų | 65.1 | 25% | 0.245 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 144.4 | 173.7 | -169.7 | 0 | 0 | 0 | 0 | 110.3 | D320 A321 V406 | S318-D320 VanDerWaalsContact C-N 3.25Å; S318-D320 WeakPolarHBondContact CB-OD1 3.3Å; S318-D320 PolarHBondContact O-N 2.96Å; S318-D320 PolarHBondContact OG-OD1 3.11Å; S318-A321 WeakPolarHBondContact O-CB 3.29Å; S318-A321 PolarHBondContact O-N 3.31Å; S318-V406 VanDerWaalsContact OG-CG2 3.28Å; S318-V406 WeakPolarHBondContact OG-CG2 3.25Å |
| 319 | E | 93.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.056 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -27.5 | 176.5 | 72 | -166.6 | 128.7 | 0 | 0 | 113.5 | A321 R373 V403 L404 D405 V406 | E319-A321 PolarHBondContact O-N 3.36Å; E319-A321 VanDerWaalsContact O-N 3.15Å; E319-R373 HydrophobicContact CB-CB 4.4Å; E319-R373 WeakPolarHBondContact OE2-CB 3.29Å; E319-R373 PolarHBondContact OE2-N 2.63Å; E319-V403 HydrophobicContact CB-CG1 3.64Å; E319-L404 PolarHBondContact N-O 2.96Å; E319-L404 VanDerWaalsContact N-O 3.14Å; E319-D405 WeakPolarHBondContact OE1-CA 3.49Å; E319-V406 HydrophobicContact CG-CB 3.87Å; E319-V406 HydrophobicContact CG-CG2 3.98Å; E319-V406 PolarHBondContact OE1-N 3.19Å |
| 320 | D | 92.3 | Very high | 94.3 | Very high | 111 Ų | 111 | 68.6 Ų | 68.6 | 59% | 0.594 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -0.2 | 172.1 | 80.8 | -22.6 | 0 | 0 | 0 | 113.7 | S318 R322 V406 | S318-D320 VanDerWaalsContact C-N 3.25Å; S318-D320 WeakPolarHBondContact CB-OD1 3.3Å; S318-D320 PolarHBondContact O-N 2.96Å; S318-D320 PolarHBondContact OG-OD1 3.11Å; D320-R322 PolarHBondContact O-N 2.79Å; D320-V406 HydrophobicContact CB-CG1 4.39Å; D320-V406 HydrophobicContact CB-CG2 4.04Å |
| 321 | A | 94.2 | Very high | 94.4 | Very high | 15 Ų | 15 | 67.6 Ų | 67.6 | 12% | 0.124 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 124.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V317 S318 E319 T325 T367 | V317-A321 HydrophobicContact CG2-CB 3.73Å; S318-A321 WeakPolarHBondContact O-CB 3.29Å; S318-A321 PolarHBondContact O-N 3.31Å; E319-A321 PolarHBondContact O-N 3.36Å; E319-A321 VanDerWaalsContact O-N 3.15Å; A321-T325 HydrophobicContact CB-CG2 4.29Å; A321-T367 HydrophobicContact CB-CG2 4.49Å |
| 322 | R | 95.1 | Very high | 94.7 | Very high | 211 Ų | 211 | 63.1 Ų | 63.1 | 80% | 0.796 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 150.8 | 176.3 | -63.2 | -177.7 | -176.3 | 168.6 | 2.2 | 110.5 | D320 G324 T325 T367 | D320-R322 PolarHBondContact O-N 2.79Å; R322-G324 PolarHBondContact O-N 3.28Å; R322-T325 PolarHBondContact N-OG1 3.07Å; R322-T325 VanDerWaalsContact O-CB 3.3Å; R322-T325 WeakPolarHBondContact O-CB 3.33Å; R322-T325 PolarHBondContact O-N 2.85Å; R322-T325 VanDerWaalsContact O-N 3.11Å; R322-T325 PolarHBondContact O-OG1 2.85Å; R322-T367 PolarHBondContact O-OG1 2.79Å |
| 323 | V | 94.7 | Very high | 94.5 | Very high | 93 Ų | 93 | 63.1 Ų | 63.1 | 56% | 0.564 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 131 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 110 | A368 | V323-A368 VanDerWaalsContact CG1-O 3.31Å; V323-A368 WeakPolarHBondContact CG1-O 3.36Å |
| 324 | G | 93.5 | Very high | 94.3 | Very high | 49 Ų | 49 | 63.4 Ų | 63.4 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | 3.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R322 S326 T367 | R322-G324 PolarHBondContact O-N 3.28Å; G324-S326 PolarHBondContact O-N 3Å; G324-T367 WeakPolarHBondContact CA-O 3.23Å; G324-T367 PolarHBondContact N-O 3.45Å; G324-T367 PolarHBondContact N-OG1 3.33Å; G324-T367 VanDerWaalsContact N-OG1 3.16Å |
| 325 | T | 95.3 | Very high | 94 | Very high | 54 Ų | 54 | 57.5 Ų | 57.5 | 33% | 0.331 | 32% | 0.316 | S | S | . | . | trans | -68 | 127.6 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | A321 R322 S366 T367 | A321-T325 HydrophobicContact CB-CG2 4.29Å; R322-T325 PolarHBondContact N-OG1 3.07Å; R322-T325 VanDerWaalsContact O-CB 3.3Å; R322-T325 WeakPolarHBondContact O-CB 3.33Å; R322-T325 PolarHBondContact O-N 2.85Å; R322-T325 VanDerWaalsContact O-N 3.11Å; R322-T325 PolarHBondContact O-OG1 2.85Å; T325-S366 CarbonylContact O-C 3.58Å; T325-S366 WeakPolarHBondContact O-CA 3.49Å; T325-S366 WeakPolarHBondContact O-CB 3.18Å; T325-T367 PolarHBondContact N-OG1 2.89Å; T325-T367 VanDerWaalsContact N-OG1 3.08Å; T325-T367 PolarHBondContact O-N 2.78Å | ||
| 326 | S | 96.1 | Very high | 93.6 | Very high | 85 Ų | 85 | 56.6 Ų | 56.6 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 122.7 | 175.8 | -52.5 | 0 | 0 | 0 | 0 | 110.4 | G324 | G324-S326 PolarHBondContact O-N 3Å |
| 327 | I | 95.8 | Very high | 92.3 | Very high | 28 Ų | 28 | 59.6 Ų | 59.6 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -46.2 | -175.2 | -51.7 | 175.1 | 0 | 0 | 0 | 110.4 | L315 V317 F356 I365 T367 I401 | L315-I327 HydrophobicContact CB-CG2 3.8Å; L315-I327 HydrophobicContact CD1-CG2 4.15Å; V317-I327 HydrophobicContact CB-CD1 4.12Å; V317-I327 HydrophobicContact CB-CG1 4.19Å; V317-I327 HydrophobicContact CB-CG2 4.05Å; V317-I327 HydrophobicContact CG1-CD1 4.37Å; V317-I327 HydrophobicContact CG2-CD1 4.1Å; V317-I327 HydrophobicContact CG2-CG1 3.98Å; I327-F356 HydrophobicContact CD1-CD1 3.61Å; I327-F356 HydrophobicContact CD1-CE1 3.57Å; I327-I365 HydrophobicContact CD1-CG2 4.39Å; I327-I365 PolarHBondContact N-O 3.45Å; I327-T367 HydrophobicContact CD1-CG2 3.89Å; I327-T367 HydrophobicContact CG1-CG2 4.2Å; I327-I401 HydrophobicContact CD1-CD1 4.09Å; I327-I401 HydrophobicContact CD1-CG2 4.46Å |
| 328 | G | 94.1 | Very high | 90.9 | Very high | 20 Ų | 20 | 61.1 Ų | 61.1 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | -179.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I364 I365 | G328-I364 CarbonylContact O-C 3.59Å; G328-I364 WeakPolarHBondContact O-CA 3.37Å; G328-I365 PolarHBondContact O-N 3Å |
| 329 | R | 94.7 | Very high | 89.6 | Confident | 163 Ų | 163 | 68 Ų | 68 | 62% | 0.615 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.3 | -179.6 | -176.9 | -177.9 | -175.9 | -168.6 | 1.3 | 110 | S362 G363 I364 | R329-S362 WeakPolarHBondContact CG-O 3.31Å; R329-S362 PolarHBondContact NE-O 2.69Å; R329-S362 PolarHBondContact NH2-O 2.92Å; R329-G363 WeakPolarHBondContact CA-O 3.2Å; R329-I364 HydrophobicContact CB-CG1 4.29Å; R329-I364 HydrophobicContact CG-CG1 4.24Å |
| 330 | V | 95.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 38% | 0.376 | C | S | . | . | trans | -100.9 | 150.2 | 166.7 | -63.8 | 0 | 0 | 0 | 0 | 109.9 | F308 Y344 G363 I365 I383 | F308-V330 HydrophobicContact CD1-CB 4.35Å; F308-V330 HydrophobicContact CE1-CB 4.14Å; F308-V330 HydrophobicContact CE1-CG2 4.05Å; V330-Y344 HydrophobicContact CG2-CD1 4.32Å; V330-G363 WeakPolarHBondContact CG2-O 3.22Å; V330-G363 PolarHBondContact N-O 3.49Å; V330-I365 HydrophobicContact CG1-CD1 3.96Å; V330-I383 HydrophobicContact CG2-CG2 4.09Å | ||
| 331 | S | 93.8 | Very high | 88.5 | Confident | 51 Ų | 51 | 65 Ų | 65 | 36% | 0.357 | 37% | 0.368 | S | S | . | . | trans | -133.9 | 140.1 | 178.3 | -167.7 | 0 | 0 | 0 | 0 | 109.4 | F308 S309 | F308-S331 WeakPolarHBondContact CA-O 3.47Å; S309-S331 PolarHBondContact N-O 3.01Å; S309-S331 PolarHBondContact OG-O 2.7Å | ||
| 332 | A | 92.9 | Very high | 88.4 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 7% | 0.066 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 154.5 | 173 | 0 | 0 | 0 | 0 | 0 | 108.4 | I307 F308 I342 Y344 A385 | I307-A332 CarbonylContact O-C 3.56Å; I307-A332 WeakPolarHBondContact O-CA 3.42Å; I307-A332 WeakPolarHBondContact O-CB 3.34Å; F308-A332 HydrophobicContact CD1-CB 4.12Å; F308-A332 HydrophobicContact CD2-CB 4.45Å; F308-A332 HydrophobicContact CE1-CB 4.34Å; F308-A332 HydrophobicContact CG-CB 4.19Å; A332-I342 HydrophobicContact CB-CD1 4.45Å; A332-I342 HydrophobicContact CB-CG2 4.45Å; A332-I342 WeakPolarHBondContact O-CD1 3.33Å; A332-Y344 HydrophobicContact CB-CE1 3.79Å; A332-Y344 PolarHBondContact N-OH 2.64Å; A332-Y344 PolarHBondContact O-OH 2.88Å; A332-A385 HydrophobicContact CB-CB 3.66Å |
| 333 | H | 90.5 | Very high | 88.3 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149.5 | 173.3 | 63.4 | -64.6 | 0 | 0 | 0 | 108.2 | I307 | I307-H333 VanDerWaalsContact CG1-CE1 3.46Å; I307-H333 WeakPolarHBondContact CG1-CE1 3.35Å; I307-H333 WeakPolarHBondContact CG1-O 3.16Å; I307-H333 PolarHBondContact N-O 2.83Å; I307-H333 PolarHBondContact O-N 3.16Å; I307-H333 PolarHBondContact O-ND1 3.18Å |
| 334 | D | 90.8 | Very high | 88.4 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | trans | -82.5 | 126.7 | 172.9 | -153.9 | -62.4 | 0 | 0 | 0 | 107.5 | D336 I342 | D334-D336 PolarHBondContact O-N 3.17Å; D334-D336 VanDerWaalsContact OD1-CB 3.25Å; D334-D336 WeakPolarHBondContact OD1-CB 3.15Å; D334-D336 VanDerWaalsContact OD1-CG 3.31Å; D334-D336 PolarHBondContact OD1-N 3.08Å; D334-I342 HydrophobicContact CB-CD1 4.48Å | ||
| 335 | P | 88.9 | Confident | 88.5 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -58.5 | -37.9 | 173.1 | -21.8 | 33.4 | 0 | 0 | 0 | 111.5 | E263 E304 I307 | E263-P335 HydrophobicContact CG-CB 4.11Å; E263-P335 WeakPolarHBondContact CG-O 3.36Å; E304-P335 HydrophobicContact CB-CG 4.28Å; I307-P335 HydrophobicContact CD1-CG 4.03Å; I307-P335 HydrophobicContact CG1-CG 3.95Å; I307-P335 HydrophobicContact CG2-CG 4.07Å |
| 336 | D | 87.4 | Confident | 88.5 | Confident | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -63.8 | 148.2 | -177.5 | -51.9 | -29.1 | 0 | 0 | 0 | 109.7 | N303 E304 D334 S338 | N303-D336 WeakPolarHBondContact CA-OD2 3.3Å; N303-D336 PolarHBondContact ND2-OD2 2.87Å; N303-D336 PolarHBondContact OD1-OD2 3.41Å; E304-D336 VanDerWaalsContact N-CG 3.34Å; E304-D336 PolarHBondContact N-OD1 2.79Å; E304-D336 PolarHBondContact N-OD2 2.88Å; D334-D336 PolarHBondContact O-N 3.17Å; D334-D336 VanDerWaalsContact OD1-CB 3.25Å; D334-D336 WeakPolarHBondContact OD1-CB 3.15Å; D334-D336 VanDerWaalsContact OD1-CG 3.31Å; D334-D336 PolarHBondContact OD1-N 3.08Å; D336-S338 PolarHBondContact O-N 2.88Å |
| 337 | N | 69.4 | Low | 88.5 | Confident | 162 Ų | 162 | 53.7 Ų | 53.7 | 87% | 0.866 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -74.5 | 27.5 | 177.6 | -150 | 4.9 | 0 | 0 | 0 | 112.9 | ||
| 338 | S | 65.9 | Low | 88.3 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | trans | -82.1 | 133.2 | 179.7 | 78.6 | 0 | 0 | 0 | 0 | 109.3 | D336 S340 | D336-S338 PolarHBondContact O-N 2.88Å; S338-S340 PolarHBondContact O-N 2.85Å; S338-S340 PolarHBondContact OG-OG 2.93Å | ||
| 339 | N | 68.5 | Low | 88.3 | Confident | 179 Ų | 179 | 63.4 Ų | 63.4 | 96% | 0.957 | 33% | 0.327 | S | S | * | . | trans | -76.8 | 26.5 | 172 | -80.1 | -55.6 | 0 | 0 | 0 | 111.7 | ||||
| 340 | S | 74.6 | Confident | 88.3 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 130.7 | -176.3 | -72.1 | 0 | 0 | 0 | 0 | 110.5 | S338 E387 L389 | S338-S340 PolarHBondContact O-N 2.85Å; S338-S340 PolarHBondContact OG-OG 2.93Å; S340-E387 WeakPolarHBondContact CB-OE1 3.41Å; S340-E387 PolarHBondContact OG-OE1 3.41Å; S340-L389 WeakPolarHBondContact OG-CD1 3.49Å |
| 341 | G | 86.4 | Confident | 88.2 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 139.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | S388 | G341-S388 WeakPolarHBondContact O-CB 3.32Å; G341-S388 PolarHBondContact O-N 3.19Å; G341-S388 PolarHBondContact O-OG 2.95Å |
| 342 | I | 92.4 | Very high | 88.1 | Confident | 28 Ų | 28 | 62.1 Ų | 62.1 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 138.4 | 177.4 | -61.5 | 164.6 | 0 | 0 | 0 | 109.9 | P306 A332 D334 Y344 A385 | P306-I342 HydrophobicContact CB-CD1 4.1Å; P306-I342 HydrophobicContact CB-CG1 4.32Å; P306-I342 HydrophobicContact CB-CG2 4.43Å; P306-I342 HydrophobicContact CG-CG1 4.26Å; A332-I342 HydrophobicContact CB-CD1 4.45Å; A332-I342 HydrophobicContact CB-CG2 4.45Å; A332-I342 WeakPolarHBondContact O-CD1 3.33Å; D334-I342 HydrophobicContact CB-CD1 4.48Å; I342-Y344 HydrophobicContact CG2-CE1 4.13Å; I342-Y344 HydrophobicContact CG2-CE2 4.46Å; I342-A385 HydrophobicContact CG2-CB 3.83Å |
| 343 | R | 94 | Very high | 88 | Confident | 130 Ų | 130 | 67.4 Ų | 67.4 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.4 | 174 | -71.7 | 178.4 | 179.1 | -93.8 | 1 | 111.8 | A360 I386 | R343-A360 CarbonylContact C-O 3.41Å; R343-A360 WeakPolarHBondContact CA-O 3.21Å; R343-I386 PolarHBondContact N-O 3.49Å; R343-I386 PolarHBondContact O-N 2.84Å |
| 344 | Y | 95.7 | Very high | 88.2 | Confident | 17 Ų | 17 | 69.8 Ų | 69.8 | 7% | 0.067 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 142.4 | 178.7 | -57.4 | -79.3 | 0 | 0 | 0 | 112.2 | F308 V330 A332 I342 A360 G363 I383 L384 A385 | F308-Y344 HydrophobicContact CE1-CD1 4.17Å; F308-Y344 HydrophobicContact CE1-CE1 4.06Å; F308-Y344 HydrophobicContact CZ-CD1 4.31Å; F308-Y344 HydrophobicContact CZ-CE1 4.43Å; V330-Y344 HydrophobicContact CG2-CD1 4.32Å; A332-Y344 HydrophobicContact CB-CE1 3.79Å; A332-Y344 PolarHBondContact N-OH 2.64Å; A332-Y344 PolarHBondContact O-OH 2.88Å; I342-Y344 HydrophobicContact CG2-CE1 4.13Å; I342-Y344 HydrophobicContact CG2-CE2 4.46Å; Y344-A360 PolarHBondContact N-O 2.97Å; Y344-A360 WeakPolarHBondContact O-CA 3.32Å; Y344-G363 VanDerWaalsContact CD2-CA 3.49Å; Y344-I383 HydrophobicContact CD1-CG2 4.48Å; Y344-L384 CarbonylContact C-O 3.56Å; Y344-L384 VanDerWaalsContact CA-O 3.31Å; Y344-L384 WeakPolarHBondContact CA-O 3.48Å; Y344-A385 HydrophobicContact CD1-CB 4.24Å; Y344-A385 HydrophobicContact CE1-CB 4.09Å |
| 345 | S | 95.4 | Very high | 88.4 | Confident | 39 Ų | 39 | 70.9 Ų | 70.9 | 27% | 0.273 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 160.4 | 169.4 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | I383 L384 | S345-I383 CarbonylContact O-C 3.59Å; S345-I383 WeakPolarHBondContact O-CA 3.49Å; S345-I383 WeakPolarHBondContact O-CG2 3.35Å; S345-L384 PolarHBondContact N-O 2.75Å; S345-L384 PolarHBondContact O-N 3.1Å |
| 346 | I | 96.3 | Very high | 88.8 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132.8 | 174.8 | -64.6 | 162.3 | 0 | 0 | 0 | 108.2 | R348 D351 F356 V358 I383 | I346-R348 PolarHBondContact O-N 2.64Å; I346-D351 HydrophobicContact CG2-CB 4.01Å; I346-F356 HydrophobicContact CD1-CB 4.06Å; I346-F356 WeakPolarHBondContact CD1-O 3.23Å; I346-V358 HydrophobicContact CD1-CB 4.09Å; I346-V358 HydrophobicContact CD1-CG1 4.18Å; I346-V358 HydrophobicContact CG1-CB 4Å; I346-V358 HydrophobicContact CG1-CG1 3.73Å; I346-I383 HydrophobicContact CG1-CD1 3.66Å |
| 347 | D | 95.7 | Very high | 89.2 | Confident | 35 Ų | 35 | 73 Ų | 73 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | trans | -64.2 | 118.2 | 169.7 | -174 | -11 | 0 | 0 | 0 | 109.6 | N349 T350 T382 L384 | D347-N349 PolarHBondContact O-N 3.26Å; D347-N349 VanDerWaalsContact O-N 3.17Å; D347-N349 PolarHBondContact OD1-N 2.86Å; D347-T350 HydrophobicContact CB-CG2 4.41Å; D347-T350 PolarHBondContact O-N 3.27Å; D347-T350 PolarHBondContact O-OG1 2.69Å; D347-T382 HydrophobicContact CB-CG2 4.18Å; D347-T382 WeakPolarHBondContact CB-O 3.12Å; D347-T382 PolarHBondContact N-O 3.21Å; D347-L384 HydrophobicContact CB-CD1 4.41Å; D347-L384 HydrophobicContact CB-CD2 4.39Å; D347-L384 HydrophobicContact CB-CG 4.33Å | ||
| 348 | R | 92.1 | Very high | 90.5 | Very high | 123 Ų | 123 | 66.5 Ų | 66.5 | 46% | 0.464 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -60.7 | -26.7 | -176.5 | -67.3 | -61.8 | -174.6 | -168.6 | -5.5 | 113 | I346 T350 D351 L352 | I346-R348 PolarHBondContact O-N 2.64Å; R348-T350 PolarHBondContact O-N 3.42Å; R348-D351 CarbonylContact O-C 3.51Å; R348-D351 PolarHBondContact O-N 3.35Å; R348-L352 PolarHBondContact O-N 3.15Å |
| 349 | N | 93.4 | Very high | 92 | Very high | 129 Ų | 129 | 68.3 Ų | 68.3 | 69% | 0.69 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -69.8 | -21.1 | 178.5 | -63.4 | -23 | 0 | 0 | 0 | 112.2 | D347 | D347-N349 PolarHBondContact O-N 3.26Å; D347-N349 VanDerWaalsContact O-N 3.17Å; D347-N349 PolarHBondContact OD1-N 2.86Å |
| 350 | T | 94.3 | Very high | 93.2 | Very high | 44 Ų | 44 | 61.4 Ų | 61.4 | 27% | 0.27 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -96.3 | -11.5 | 179 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | D347 R348 T382 | D347-T350 HydrophobicContact CB-CG2 4.41Å; D347-T350 PolarHBondContact O-N 3.27Å; D347-T350 PolarHBondContact O-OG1 2.69Å; R348-T350 PolarHBondContact O-N 3.42Å; T350-T382 WeakPolarHBondContact CG2-OG1 3.38Å; T350-T382 PolarHBondContact OG1-N 2.68Å |
| 351 | D | 93.8 | Very high | 94 | Very high | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.027 | 34% | 0.337 | C | S | . | . | trans | -142.7 | 66.1 | 176.9 | -171 | 17.6 | 0 | 0 | 0 | 110.8 | I346 R348 E353 R354 F355 F356 L381 | I346-D351 HydrophobicContact CG2-CB 4.01Å; R348-D351 CarbonylContact O-C 3.51Å; R348-D351 PolarHBondContact O-N 3.35Å; D351-E353 PolarHBondContact O-N 3.4Å; D351-R354 PolarHBondContact O-N 2.87Å; D351-R354 VanDerWaalsContact O-N 3.11Å; D351-R354 WeakPolarHBondContact OD1-CA 3.43Å; D351-R354 PolarHBondContact OD1-N 2.77Å; D351-R354 VanDerWaalsContact OD1-N 3.1Å; D351-R354 VanDerWaalsContact OD2-CA 3.26Å; D351-R354 WeakPolarHBondContact OD2-CA 3.31Å; D351-F355 VanDerWaalsContact CG-N 3.34Å; D351-F355 PolarHBondContact OD1-N 3.47Å; D351-F355 PolarHBondContact OD2-N 2.72Å; D351-F356 PolarHBondContact OD2-N 2.84Å; D351-L381 HydrophobicContact CB-CD2 3.83Å | ||
| 352 | L | 91.4 | Very high | 94.4 | Very high | 139 Ų | 139 | 65.8 Ų | 65.8 | 73% | 0.728 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -40.1 | -177.4 | -68 | 171 | 0 | 0 | 0 | 111.8 | R348 R354 | R348-L352 PolarHBondContact O-N 3.15Å; L352-R354 VanDerWaalsContact C-N 3.33Å |
| 353 | E | 91.9 | Very high | 94.5 | Very high | 119 Ų | 119 | 64.4 Ų | 64.4 | 56% | 0.556 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -5.9 | -178.3 | -68.6 | -165.5 | -153.4 | 0 | 0 | 113.8 | D351 F355 K369 | D351-E353 PolarHBondContact O-N 3.4Å; E353-F355 HydrophobicContact CB-CD2 3.73Å; E353-F355 HydrophobicContact CB-CE2 3.36Å; E353-F355 HydrophobicContact CB-CZ 4.03Å; E353-F355 HydrophobicContact CG-CE2 4.04Å; E353-F355 WeakPolarHBondContact OE2-CE2 3.2Å; E353-F355 WeakPolarHBondContact OE2-CZ 3.09Å; E353-K369 WeakPolarHBondContact O-CE 3.49Å; E353-K369 PolarHBondContact O-NZ 2.62Å |
| 354 | R | 94 | Very high | 94.6 | Very high | 141 Ų | 141 | 61.2 Ų | 61.2 | 53% | 0.532 | 31% | 0.311 | S | S | . | . | trans | 60 | 51.2 | 178.8 | -49.8 | -176.7 | 176 | -174.9 | -2.1 | 112.3 | D351 L352 F356 A368 | D351-R354 PolarHBondContact O-N 2.87Å; D351-R354 VanDerWaalsContact O-N 3.11Å; D351-R354 WeakPolarHBondContact OD1-CA 3.43Å; D351-R354 PolarHBondContact OD1-N 2.77Å; D351-R354 VanDerWaalsContact OD1-N 3.1Å; D351-R354 VanDerWaalsContact OD2-CA 3.26Å; D351-R354 WeakPolarHBondContact OD2-CA 3.31Å; L352-R354 VanDerWaalsContact C-N 3.33Å; R354-F356 PolarHBondContact O-N 2.78Å; R354-A368 WeakPolarHBondContact O-CB 3.4Å | ||
| 355 | F | 95.3 | Very high | 94.6 | Very high | 41 Ų | 41 | 60.4 Ų | 60.4 | 18% | 0.18 | 31% | 0.308 | C | S | . | . | trans | -68.9 | -23 | 173.4 | -73.9 | -75.7 | 0 | 0 | 0 | 112.5 | D351 E353 A368 K369 L371 H379 | D351-F355 VanDerWaalsContact CG-N 3.34Å; D351-F355 PolarHBondContact OD1-N 3.47Å; D351-F355 PolarHBondContact OD2-N 2.72Å; E353-F355 HydrophobicContact CB-CD2 3.73Å; E353-F355 HydrophobicContact CB-CE2 3.36Å; E353-F355 HydrophobicContact CB-CZ 4.03Å; E353-F355 HydrophobicContact CG-CE2 4.04Å; E353-F355 WeakPolarHBondContact OE2-CE2 3.2Å; E353-F355 WeakPolarHBondContact OE2-CZ 3.09Å; F355-A368 PolarHBondContact O-N 2.92Å; F355-K369 HydrophobicContact CD1-CB 3.92Å; F355-K369 HydrophobicContact CD1-CD 4.34Å; F355-K369 HydrophobicContact CE1-CB 4.44Å; F355-K369 HydrophobicContact CE1-CD 4.47Å; F355-K369 PolarHBondContact O-N 2.8Å; F355-L371 HydrophobicContact CB-CD2 4.13Å; F355-L371 HydrophobicContact CD1-CD2 3.9Å; F355-L371 HydrophobicContact CG-CD2 4.32Å; F355-H379 AromaticContact CD2-CE1 3.73Å; F355-H379 AromaticContact CG-CE1 3.96Å | ||
| 356 | F | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 153.3 | -174.8 | -53.4 | -83 | 0 | 0 | 0 | 113.1 | I327 I346 D351 R354 I365 S366 L371 H379 L381 I401 | I327-F356 HydrophobicContact CD1-CD1 3.61Å; I327-F356 HydrophobicContact CD1-CE1 3.57Å; I346-F356 HydrophobicContact CD1-CB 4.06Å; I346-F356 WeakPolarHBondContact CD1-O 3.23Å; D351-F356 PolarHBondContact OD2-N 2.84Å; R354-F356 PolarHBondContact O-N 2.78Å; F356-I365 HydrophobicContact CB-CG2 4.32Å; F356-I365 HydrophobicContact CD1-CG2 4.49Å; F356-S366 CarbonylContact C-O 3.48Å; F356-S366 WeakPolarHBondContact CA-O 3.34Å; F356-L371 HydrophobicContact CE1-CD1 4.19Å; F356-L371 HydrophobicContact CE1-CD2 4.16Å; F356-L371 HydrophobicContact CZ-CD1 4.38Å; F356-L371 HydrophobicContact CZ-CD2 3.83Å; F356-H379 HydrophobicContact CE2-CB 3.61Å; F356-H379 AromaticContact CE2-CD2 3.85Å; F356-H379 AromaticContact CE2-CG 3.45Å; F356-H379 VanDerWaalsContact CE2-CG 3.45Å; F356-H379 AromaticContact CE2-ND1 3.64Å; F356-H379 HydrophobicContact CZ-CB 4.02Å; F356-H379 AromaticContact CZ-CD2 3.72Å; F356-H379 AromaticContact CZ-CG 3.78Å; F356-L381 HydrophobicContact CB-CD1 3.94Å; F356-L381 HydrophobicContact CD2-CD1 3.6Å; F356-L381 HydrophobicContact CD2-CD2 3.94Å; F356-L381 HydrophobicContact CD2-CG 4.27Å; F356-L381 HydrophobicContact CE2-CD1 4.26Å; F356-L381 HydrophobicContact CE2-CD2 4.39Å; F356-L381 HydrophobicContact CG-CD1 3.77Å; F356-I401 HydrophobicContact CD1-CD1 3.63Å; F356-I401 HydrophobicContact CD2-CD1 4.32Å; F356-I401 HydrophobicContact CE1-CD1 3.52Å; F356-I401 HydrophobicContact CE1-CG2 4.06Å; F356-I401 HydrophobicContact CE2-CD1 4.22Å; F356-I401 HydrophobicContact CG-CD1 4.03Å; F356-I401 HydrophobicContact CZ-CB 4.37Å; F356-I401 HydrophobicContact CZ-CD1 3.84Å; F356-I401 HydrophobicContact CZ-CG2 4.09Å |
| 357 | N | 96 | Very high | 94.7 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 144.8 | 170.1 | -76.6 | -33.4 | 0 | 0 | 0 | 109.4 | I365 S366 A368 | N357-I365 CarbonylContact O-C 3.54Å; N357-I365 WeakPolarHBondContact O-CA 3.34Å; N357-S366 PolarHBondContact N-O 3.38Å; N357-S366 PolarHBondContact O-N 3.48Å; N357-S366 PolarHBondContact O-OG 2.78Å; N357-A368 HydrophobicContact CB-CB 4.42Å; N357-A368 WeakPolarHBondContact ND2-CB 3.18Å |
| 358 | V | 96.9 | Very high | 94.7 | Very high | 26 Ų | 26 | 58.4 Ų | 58.4 | 16% | 0.158 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.6 | 168.9 | 69.4 | 0 | 0 | 0 | 0 | 109.7 | I346 A360 I364 I365 | I346-V358 HydrophobicContact CD1-CB 4.09Å; I346-V358 HydrophobicContact CD1-CG1 4.18Å; I346-V358 HydrophobicContact CG1-CB 4Å; I346-V358 HydrophobicContact CG1-CG1 3.73Å; V358-A360 PolarHBondContact O-N 2.86Å; V358-I364 CarbonylContact C-O 3.59Å; V358-I364 WeakPolarHBondContact CA-O 3.48Å; V358-I365 HydrophobicContact CB-CG1 4.43Å; V358-I365 HydrophobicContact CG2-CG1 4.07Å |
| 359 | D | 96.1 | Very high | 94.8 | Very high | 77 Ų | 77 | 56.8 Ų | 56.8 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | trans | -72.7 | 125.7 | 171.9 | 179.1 | -101.8 | 0 | 0 | 0 | 110.3 | L361 S362 G363 I364 | D359-L361 PolarHBondContact O-N 2.96Å; D359-L361 VanDerWaalsContact O-N 3.17Å; D359-L361 PolarHBondContact OD1-N 2.96Å; D359-S362 VanDerWaalsContact CB-OG 3.3Å; D359-S362 WeakPolarHBondContact CB-OG 3.26Å; D359-S362 VanDerWaalsContact CG-OG 3.23Å; D359-S362 VanDerWaalsContact OD1-CB 3.27Å; D359-S362 WeakPolarHBondContact OD1-CB 3.41Å; D359-S362 PolarHBondContact OD1-N 2.82Å; D359-S362 PolarHBondContact OD1-OG 2.87Å; D359-G363 WeakPolarHBondContact O-CA 3.17Å; D359-G363 PolarHBondContact O-N 3.42Å; D359-I364 HydrophobicContact CB-CB 4.48Å; D359-I364 PolarHBondContact N-O 2.8Å | ||
| 360 | A | 94.2 | Very high | 94.8 | Very high | 35 Ų | 35 | 54.9 Ų | 54.9 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114 | R343 Y344 V358 | R343-A360 CarbonylContact C-O 3.41Å; R343-A360 WeakPolarHBondContact CA-O 3.21Å; Y344-A360 PolarHBondContact N-O 2.97Å; Y344-A360 WeakPolarHBondContact O-CA 3.32Å; V358-A360 PolarHBondContact O-N 2.86Å |
| 361 | L | 92.8 | Very high | 94.9 | Very high | 123 Ų | 123 | 53.3 Ų | 53.3 | 64% | 0.644 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -40.2 | -176.3 | -63.1 | 174.9 | 0 | 0 | 0 | 112.4 | D359 | D359-L361 PolarHBondContact O-N 2.96Å; D359-L361 VanDerWaalsContact O-N 3.17Å; D359-L361 PolarHBondContact OD1-N 2.96Å |
| 362 | S | 93.6 | Very high | 94.9 | Very high | 29 Ų | 29 | 57 Ų | 57 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -22.1 | -177.4 | 66 | 0 | 0 | 0 | 0 | 113.2 | R329 D359 I364 | R329-S362 WeakPolarHBondContact CG-O 3.31Å; R329-S362 PolarHBondContact NE-O 2.69Å; R329-S362 PolarHBondContact NH2-O 2.92Å; D359-S362 VanDerWaalsContact CB-OG 3.3Å; D359-S362 WeakPolarHBondContact CB-OG 3.26Å; D359-S362 VanDerWaalsContact CG-OG 3.23Å; D359-S362 VanDerWaalsContact OD1-CB 3.27Å; D359-S362 WeakPolarHBondContact OD1-CB 3.41Å; D359-S362 PolarHBondContact OD1-N 2.82Å; D359-S362 PolarHBondContact OD1-OG 2.87Å; S362-I364 VanDerWaalsContact C-N 3.26Å; S362-I364 PolarHBondContact O-N 2.86Å; S362-I364 WeakPolarHBondContact OG-CG1 3.48Å; S362-I364 PolarHBondContact OG-N 2.81Å |
| 363 | G | 93.9 | Very high | 95 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | 72.4 | 17.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R329 V330 Y344 D359 | R329-G363 WeakPolarHBondContact CA-O 3.2Å; V330-G363 WeakPolarHBondContact CG2-O 3.22Å; V330-G363 PolarHBondContact N-O 3.49Å; Y344-G363 VanDerWaalsContact CD2-CA 3.49Å; D359-G363 WeakPolarHBondContact O-CA 3.17Å; D359-G363 PolarHBondContact O-N 3.42Å | ||
| 364 | I | 96.7 | Very high | 94.9 | Very high | 62 Ų | 62 | 48.4 Ų | 48.4 | 32% | 0.318 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 126.9 | 175.4 | -65 | 171.6 | 0 | 0 | 0 | 109.3 | G328 R329 V358 D359 S362 | G328-I364 CarbonylContact O-C 3.59Å; G328-I364 WeakPolarHBondContact O-CA 3.37Å; R329-I364 HydrophobicContact CB-CG1 4.29Å; R329-I364 HydrophobicContact CG-CG1 4.24Å; V358-I364 CarbonylContact C-O 3.59Å; V358-I364 WeakPolarHBondContact CA-O 3.48Å; D359-I364 HydrophobicContact CB-CB 4.48Å; D359-I364 PolarHBondContact N-O 2.8Å; S362-I364 VanDerWaalsContact C-N 3.26Å; S362-I364 PolarHBondContact O-N 2.86Å; S362-I364 WeakPolarHBondContact OG-CG1 3.48Å; S362-I364 PolarHBondContact OG-N 2.81Å |
| 365 | I | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.2 | 175.7 | -57.7 | 173 | 0 | 0 | 0 | 108.9 | L315 I327 G328 V330 F356 N357 V358 I383 T399 I401 | L315-I365 HydrophobicContact CD1-CD1 4.1Å; I327-I365 HydrophobicContact CD1-CG2 4.39Å; I327-I365 PolarHBondContact N-O 3.45Å; G328-I365 PolarHBondContact O-N 3Å; V330-I365 HydrophobicContact CG1-CD1 3.96Å; F356-I365 HydrophobicContact CB-CG2 4.32Å; F356-I365 HydrophobicContact CD1-CG2 4.49Å; N357-I365 CarbonylContact O-C 3.54Å; N357-I365 WeakPolarHBondContact O-CA 3.34Å; V358-I365 HydrophobicContact CB-CG1 4.43Å; V358-I365 HydrophobicContact CG2-CG1 4.07Å; I365-I383 HydrophobicContact CD1-CD1 4.02Å; I365-I383 HydrophobicContact CD1-CG1 4.25Å; I365-T399 HydrophobicContact CD1-CG2 3.84Å; I365-I401 HydrophobicContact CG2-CD1 4.17Å |
| 366 | S | 96.5 | Very high | 94.7 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 155.4 | -177.6 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | T325 F356 N357 | T325-S366 CarbonylContact O-C 3.58Å; T325-S366 WeakPolarHBondContact O-CA 3.49Å; T325-S366 WeakPolarHBondContact O-CB 3.18Å; F356-S366 CarbonylContact C-O 3.48Å; F356-S366 WeakPolarHBondContact CA-O 3.34Å; N357-S366 PolarHBondContact N-O 3.38Å; N357-S366 PolarHBondContact O-N 3.48Å; N357-S366 PolarHBondContact O-OG 2.78Å |
| 367 | T | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 129.3 | 175.2 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | V317 A321 R322 G324 T325 I327 L371 | V317-T367 HydrophobicContact CG2-CG2 3.96Å; A321-T367 HydrophobicContact CB-CG2 4.49Å; R322-T367 PolarHBondContact O-OG1 2.79Å; G324-T367 WeakPolarHBondContact CA-O 3.23Å; G324-T367 PolarHBondContact N-O 3.45Å; G324-T367 PolarHBondContact N-OG1 3.33Å; G324-T367 VanDerWaalsContact N-OG1 3.16Å; T325-T367 PolarHBondContact N-OG1 2.89Å; T325-T367 VanDerWaalsContact N-OG1 3.08Å; T325-T367 PolarHBondContact O-N 2.78Å; I327-T367 HydrophobicContact CD1-CG2 3.89Å; I327-T367 HydrophobicContact CG1-CG2 4.2Å; T367-L371 HydrophobicContact CG2-CD1 3.95Å |
| 368 | A | 95.3 | Very high | 94.4 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -102.7 | -23.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V323 R354 F355 N357 | V323-A368 VanDerWaalsContact CG1-O 3.31Å; V323-A368 WeakPolarHBondContact CG1-O 3.36Å; R354-A368 WeakPolarHBondContact O-CB 3.4Å; F355-A368 PolarHBondContact O-N 2.92Å; N357-A368 HydrophobicContact CB-CB 4.42Å; N357-A368 WeakPolarHBondContact ND2-CB 3.18Å |
| 369 | K | 94.4 | Very high | 94.3 | Very high | 89 Ų | 89 | 47.9 Ų | 47.9 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -132.3 | 166.6 | 173.8 | -72.6 | -179.5 | 170.8 | 179.2 | 0 | 110.5 | E353 F355 | E353-K369 WeakPolarHBondContact O-CE 3.49Å; E353-K369 PolarHBondContact O-NZ 2.62Å; F355-K369 HydrophobicContact CD1-CB 3.92Å; F355-K369 HydrophobicContact CD1-CD 4.34Å; F355-K369 HydrophobicContact CE1-CB 4.44Å; F355-K369 HydrophobicContact CE1-CD 4.47Å; F355-K369 PolarHBondContact O-N 2.8Å |
| 370 | S | 94.2 | Very high | 94.3 | Very high | 89 Ų | 89 | 48.8 Ų | 48.8 | 62% | 0.622 | 29% | 0.289 | S | S | * | . | trans | -62 | 141.2 | 166 | 49.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 371 | L | 95.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | trans | -100.8 | 151.6 | 176.2 | -58.4 | 175.1 | 0 | 0 | 0 | 108.3 | V317 F355 F356 T367 V403 | V317-L371 HydrophobicContact CB-CD1 4.33Å; V317-L371 HydrophobicContact CG1-CD1 3.39Å; V317-L371 HydrophobicContact CG2-CD1 3.96Å; F355-L371 HydrophobicContact CB-CD2 4.13Å; F355-L371 HydrophobicContact CD1-CD2 3.9Å; F355-L371 HydrophobicContact CG-CD2 4.32Å; F356-L371 HydrophobicContact CE1-CD1 4.19Å; F356-L371 HydrophobicContact CE1-CD2 4.16Å; F356-L371 HydrophobicContact CZ-CD1 4.38Å; F356-L371 HydrophobicContact CZ-CD2 3.83Å; T367-L371 HydrophobicContact CG2-CD1 3.95Å; L371-V403 HydrophobicContact CB-CG1 4.29Å; L371-V403 HydrophobicContact CD1-CG2 4.37Å | ||
| 372 | D | 93.4 | Very high | 94.6 | Very high | 83 Ų | 83 | 42.5 Ų | 42.5 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | trans | -140.6 | 110.9 | 178.3 | 171.7 | -16.2 | 0 | 0 | 0 | 105.1 | E374 A375 N376 | D372-E374 PolarHBondContact OD1-N 3.29Å; D372-E374 VanDerWaalsContact OD1-N 3.09Å; D372-A375 HydrophobicContact CB-CB 4.02Å; D372-A375 PolarHBondContact O-N 2.91Å; D372-A375 PolarHBondContact OD1-N 3.06Å; D372-N376 PolarHBondContact O-N 3.47Å | ||
| 373 | R | 93.2 | Very high | 94.7 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -36 | -173.4 | -172.3 | -154.4 | 70 | 138 | 0.5 | 111.1 | E319 A375 N376 S377 V403 D405 K439 E441 | E319-R373 HydrophobicContact CB-CB 4.4Å; E319-R373 WeakPolarHBondContact OE2-CB 3.29Å; E319-R373 PolarHBondContact OE2-N 2.63Å; R373-A375 PolarHBondContact O-N 3.07Å; R373-N376 CarbonylContact O-C 3.6Å; R373-N376 VanDerWaalsContact O-C 3.26Å; R373-N376 PolarHBondContact O-N 3.48Å; R373-S377 PolarHBondContact O-N 3.03Å; R373-S377 VanDerWaalsContact O-N 3.16Å; R373-V403 HydrophobicContact CB-CB 4.28Å; R373-V403 HydrophobicContact CB-CG1 3.85Å; R373-V403 HydrophobicContact CG-CB 4.15Å; R373-V403 HydrophobicContact CG-CG1 4.2Å; R373-D405 VanDerWaalsContact CZ-CG 3.45Å; R373-D405 IonicContact CZ-OD1 2.63Å; R373-D405 IonicContact NE-OD1 2.99Å; R373-D405 PolarHBondContact NE-OD1 2.69Å; R373-D405 IonicContact NH1-OD1 3.04Å; R373-D405 PolarHBondContact NH1-OD1 2.74Å; R373-D405 IonicContact NH2-OD1 2.69Å; R373-D405 PolarHBondContact NH2-OD1 3.35Å; R373-K439 PolarHBondContact NH2-O 2.86Å; R373-K439 VanDerWaalsContact NH2-O 3.08Å; R373-E441 IonicContact NH1-OE1 2.91Å; R373-E441 IonicContact NH1-OE2 3.66Å; R373-E441 PolarHBondContact NH1-OE2 2.99Å |
| 374 | E | 91.5 | Very high | 94.8 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.8 | 177.3 | -71.4 | 58.5 | -117.3 | 0 | 0 | 111.3 | D372 K439 | D372-E374 PolarHBondContact OD1-N 3.29Å; D372-E374 VanDerWaalsContact OD1-N 3.09Å; E374-K439 HydrophobicContact CG-CB 3.72Å; E374-K439 HydrophobicContact CG-CD 4.37Å |
| 375 | A | 91.7 | Very high | 94.7 | Very high | 79 Ų | 79 | 39.4 Ų | 39.4 | 65% | 0.653 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -50.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D372 R373 | D372-A375 HydrophobicContact CB-CB 4.02Å; D372-A375 PolarHBondContact O-N 2.91Å; D372-A375 PolarHBondContact OD1-N 3.06Å; R373-A375 PolarHBondContact O-N 3.07Å |
| 376 | N | 92.5 | Very high | 94.5 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | trans | -151.2 | 110 | 176.6 | -170.5 | 7.1 | 0 | 0 | 0 | 112.5 | D372 R373 V378 H379 | D372-N376 PolarHBondContact O-N 3.47Å; R373-N376 CarbonylContact O-C 3.6Å; R373-N376 VanDerWaalsContact O-C 3.26Å; R373-N376 PolarHBondContact O-N 3.48Å; N376-V378 PolarHBondContact ND2-O 3.16Å; N376-V378 PolarHBondContact OD1-N 2.94Å; N376-V378 VanDerWaalsContact OD1-N 3.17Å; N376-V378 PolarHBondContact OD1-O 2.94Å; N376-H379 PolarHBondContact ND2-CE1 3.4Å | ||
| 377 | S | 92.3 | Very high | 94.3 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -80.2 | -16 | -179.1 | 60.4 | 0 | 0 | 0 | 0 | 114 | R373 V403 | R373-S377 PolarHBondContact O-N 3.03Å; R373-S377 VanDerWaalsContact O-N 3.16Å; S377-V403 PolarHBondContact O-N 3.31Å |
| 378 | V | 95 | Very high | 93.8 | Very high | 59 Ų | 59 | 42.9 Ų | 42.9 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 121.5 | -175.3 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | N376 L400 I401 | N376-V378 PolarHBondContact ND2-O 3.16Å; N376-V378 PolarHBondContact OD1-N 2.94Å; N376-V378 VanDerWaalsContact OD1-N 3.17Å; N376-V378 PolarHBondContact OD1-O 2.94Å; V378-L400 HydrophobicContact CG1-CD1 3.34Å; V378-L400 HydrophobicContact CG1-CG 3.99Å; V378-I401 WeakPolarHBondContact CA-O 3.41Å |
| 379 | H | 95 | Very high | 93.3 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123.6 | 172.5 | -63.3 | -97.2 | 0 | 0 | 0 | 110.7 | F355 F356 N376 L381 I401 | F355-H379 AromaticContact CD2-CE1 3.73Å; F355-H379 AromaticContact CG-CE1 3.96Å; F356-H379 HydrophobicContact CE2-CB 3.61Å; F356-H379 AromaticContact CE2-CD2 3.85Å; F356-H379 AromaticContact CE2-CG 3.45Å; F356-H379 VanDerWaalsContact CE2-CG 3.45Å; F356-H379 AromaticContact CE2-ND1 3.64Å; F356-H379 HydrophobicContact CZ-CB 4.02Å; F356-H379 AromaticContact CZ-CD2 3.72Å; F356-H379 AromaticContact CZ-CG 3.78Å; N376-H379 PolarHBondContact ND2-CE1 3.4Å; H379-L381 HydrophobicContact CB-CD2 4.49Å; H379-I401 HydrophobicContact CB-CB 4.31Å; H379-I401 PolarHBondContact N-O 3.38Å; H379-I401 PolarHBondContact O-N 3.02Å |
| 380 | N | 96 | Very high | 92.8 | Very high | 95 Ų | 95 | 46.6 Ų | 46.6 | 51% | 0.508 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 100.4 | 175.2 | -176.9 | 13 | 0 | 0 | 0 | 109.7 | I398 L400 | N380-I398 WeakPolarHBondContact OD1-CG2 3.26Å; N380-L400 HydrophobicContact CB-CD1 4.4Å |
| 381 | L | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 136.8 | -176.9 | -55.8 | -176.8 | 0 | 0 | 0 | 111 | D351 F356 H379 I383 T399 I401 | D351-L381 HydrophobicContact CB-CD2 3.83Å; F356-L381 HydrophobicContact CB-CD1 3.94Å; F356-L381 HydrophobicContact CD2-CD1 3.6Å; F356-L381 HydrophobicContact CD2-CD2 3.94Å; F356-L381 HydrophobicContact CD2-CG 4.27Å; F356-L381 HydrophobicContact CE2-CD1 4.26Å; F356-L381 HydrophobicContact CE2-CD2 4.39Å; F356-L381 HydrophobicContact CG-CD1 3.77Å; H379-L381 HydrophobicContact CB-CD2 4.49Å; L381-I383 HydrophobicContact CB-CD1 4.23Å; L381-T399 PolarHBondContact N-O 2.91Å; L381-T399 PolarHBondContact O-N 3.01Å; L381-I401 HydrophobicContact CD1-CD1 3.48Å; L381-I401 VanDerWaalsContact CD1-CD1 3.48Å; L381-I401 HydrophobicContact CD1-CG1 4.27Å; L381-I401 HydrophobicContact CG-CD1 4.34Å |
| 382 | T | 96.5 | Very high | 92.1 | Very high | 26 Ų | 26 | 52.5 Ų | 52.5 | 16% | 0.16 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.4 | 164.2 | -63.8 | 0 | 0 | 0 | 0 | 109 | D347 T350 L384 K396 G397 | D347-T382 HydrophobicContact CB-CG2 4.18Å; D347-T382 WeakPolarHBondContact CB-O 3.12Å; D347-T382 PolarHBondContact N-O 3.21Å; T350-T382 WeakPolarHBondContact CG2-OG1 3.38Å; T350-T382 PolarHBondContact OG1-N 2.68Å; T382-L384 HydrophobicContact CG2-CD2 4.15Å; T382-K396 HydrophobicContact CG2-CB 4.27Å; T382-K396 HydrophobicContact CG2-CD 4.46Å; T382-G397 WeakPolarHBondContact CA-O 3.3Å |
| 383 | I | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.6 | 174 | -46.5 | -59.5 | 0 | 0 | 0 | 108.5 | F308 V330 Y344 S345 I346 I365 L381 G397 T399 | F308-I383 HydrophobicContact CE1-CB 4.22Å; F308-I383 HydrophobicContact CE1-CG2 4.13Å; F308-I383 WeakPolarHBondContact CE2-O 3.24Å; F308-I383 HydrophobicContact CZ-CB 3.98Å; F308-I383 HydrophobicContact CZ-CG2 3.91Å; F308-I383 WeakPolarHBondContact CZ-O 3.18Å; V330-I383 HydrophobicContact CG2-CG2 4.09Å; Y344-I383 HydrophobicContact CD1-CG2 4.48Å; S345-I383 CarbonylContact O-C 3.59Å; S345-I383 WeakPolarHBondContact O-CA 3.49Å; S345-I383 WeakPolarHBondContact O-CG2 3.35Å; I346-I383 HydrophobicContact CG1-CD1 3.66Å; I365-I383 HydrophobicContact CD1-CD1 4.02Å; I365-I383 HydrophobicContact CD1-CG1 4.25Å; L381-I383 HydrophobicContact CB-CD1 4.23Å; I383-G397 PolarHBondContact N-O 2.99Å; I383-G397 PolarHBondContact O-N 2.85Å; I383-T399 WeakPolarHBondContact CG1-OG1 3.31Å |
| 384 | L | 95.6 | Very high | 92 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 14% | 0.141 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.8 | 175.8 | -51.3 | 179 | 0 | 0 | 0 | 109.1 | Y344 S345 D347 T382 I386 I394 G395 K396 | Y344-L384 CarbonylContact C-O 3.56Å; Y344-L384 VanDerWaalsContact CA-O 3.31Å; Y344-L384 WeakPolarHBondContact CA-O 3.48Å; S345-L384 PolarHBondContact N-O 2.75Å; S345-L384 PolarHBondContact O-N 3.1Å; D347-L384 HydrophobicContact CB-CD1 4.41Å; D347-L384 HydrophobicContact CB-CD2 4.39Å; D347-L384 HydrophobicContact CB-CG 4.33Å; T382-L384 HydrophobicContact CG2-CD2 4.15Å; L384-I386 HydrophobicContact CB-CG1 4.34Å; L384-I394 HydrophobicContact CB-CG2 4.12Å; L384-I394 HydrophobicContact CD2-CG2 4.11Å; L384-G395 CarbonylContact C-O 3.57Å; L384-G395 VanDerWaalsContact CA-O 3.3Å; L384-G395 WeakPolarHBondContact CA-O 3.4Å; L384-K396 HydrophobicContact CD2-CD 4.32Å; L384-K396 HydrophobicContact CD2-CG 3.78Å |
| 385 | A | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 118.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | P306 F308 A332 I342 Y344 I394 G395 | P306-A385 HydrophobicContact CB-CB 4.02Å; F308-A385 HydrophobicContact CD2-CB 4.37Å; F308-A385 HydrophobicContact CE1-CB 4.42Å; F308-A385 HydrophobicContact CE2-CB 3.56Å; F308-A385 HydrophobicContact CZ-CB 3.6Å; A332-A385 HydrophobicContact CB-CB 3.66Å; I342-A385 HydrophobicContact CG2-CB 3.83Å; Y344-A385 HydrophobicContact CD1-CB 4.24Å; Y344-A385 HydrophobicContact CE1-CB 4.09Å; A385-I394 CarbonylContact O-C 3.58Å; A385-I394 WeakPolarHBondContact O-CA 3.36Å; A385-G395 PolarHBondContact N-O 3.3Å; A385-G395 PolarHBondContact O-N 2.82Å |
| 386 | I | 92.9 | Very high | 92.2 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 131.7 | -171.5 | -52.6 | 172.1 | 0 | 0 | 0 | 108.3 | R343 L384 Q393 I394 | R343-I386 PolarHBondContact N-O 3.49Å; R343-I386 PolarHBondContact O-N 2.84Å; L384-I386 HydrophobicContact CB-CG1 4.34Å; I386-Q393 WeakPolarHBondContact CA-O 3.47Å; I386-I394 HydrophobicContact CG1-CG1 4.29Å; I386-I394 HydrophobicContact CG1-CG2 4.28Å; I386-I394 HydrophobicContact CG2-CG1 4.48Å |
| 387 | E | 91.6 | Very high | 92.3 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 136.3 | 174.2 | -160.3 | -167.8 | 164.5 | 0 | 0 | 110.6 | N303 P306 S340 L389 D390 Q393 | N303-E387 PolarHBondContact ND2-OE2 3.12Å; P306-E387 HydrophobicContact CG-CB 4.33Å; S340-E387 WeakPolarHBondContact CB-OE1 3.41Å; S340-E387 PolarHBondContact OG-OE1 3.41Å; E387-L389 VanDerWaalsContact C-N 3.31Å; E387-L389 PolarHBondContact O-N 2.81Å; E387-D390 CarbonylContact O-C 3.58Å; E387-Q393 HydrophobicContact CB-CB 3.94Å; E387-Q393 PolarHBondContact N-O 3.29Å; E387-Q393 VanDerWaalsContact N-O 3.17Å |
| 388 | S | 86.4 | Confident | 92.5 | Very high | 50 Ų | 50 | 51.5 Ų | 51.5 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -71.4 | -25 | -177.2 | -68.5 | 0 | 0 | 0 | 0 | 113.8 | G341 | G341-S388 WeakPolarHBondContact O-CB 3.32Å; G341-S388 PolarHBondContact O-N 3.19Å; G341-S388 PolarHBondContact O-OG 2.95Å |
| 389 | L | 84.9 | Confident | 92.6 | Very high | 141 Ų | 141 | 48.7 Ų | 48.7 | 74% | 0.738 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -94.5 | -31.3 | -178 | -64.4 | -176.3 | 0 | 0 | 0 | 112.5 | S340 E387 | S340-L389 WeakPolarHBondContact OG-CD1 3.49Å; E387-L389 VanDerWaalsContact C-N 3.31Å; E387-L389 PolarHBondContact O-N 2.81Å |
| 390 | D | 85 | Confident | 92.6 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | trans | -124.2 | 99.4 | 172.2 | -168.5 | -9.1 | 0 | 0 | 0 | 111.9 | E387 N392 Q393 | E387-D390 CarbonylContact O-C 3.58Å; D390-N392 PolarHBondContact O-N 2.82Å; D390-N392 VanDerWaalsContact OD1-CB 3.31Å; D390-N392 WeakPolarHBondContact OD1-CB 3.39Å; D390-N392 PolarHBondContact OD1-N 2.9Å; D390-N392 PolarHBondContact OD1-ND2 3.19Å; D390-Q393 HydrophobicContact CB-CG 3.94Å; D390-Q393 PolarHBondContact O-N 2.75Å; D390-Q393 VanDerWaalsContact O-N 3.07Å | ||
| 391 | P | 85.7 | Confident | 92.7 | Very high | 87 Ų | 87 | 45.8 Ų | 45.8 | 57% | 0.565 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -12 | 178.5 | -22.7 | 34 | 0 | 0 | 0 | 115.1 | Q393 | P391-Q393 VanDerWaalsContact C-N 3.3Š|
| 392 | N | 88.3 | Confident | 92.7 | Very high | 138 Ų | 138 | 48 Ų | 48 | 74% | 0.738 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -16.5 | 176.8 | -57.1 | -44.6 | 0 | 0 | 0 | 112.2 | D390 I394 | D390-N392 PolarHBondContact O-N 2.82Å; D390-N392 VanDerWaalsContact OD1-CB 3.31Å; D390-N392 WeakPolarHBondContact OD1-CB 3.39Å; D390-N392 PolarHBondContact OD1-N 2.9Å; D390-N392 PolarHBondContact OD1-ND2 3.19Å; N392-I394 PolarHBondContact O-N 2.94Å |
| 393 | Q | 90.9 | Very high | 92.7 | Very high | 36 Ų | 36 | 47 Ų | 47 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | trans | -86.3 | 98 | 178.5 | -64.5 | -66.9 | 0.5 | 0 | 0 | 110 | N303 P305 I386 E387 D390 P391 | N303-Q393 WeakPolarHBondContact ND2-CG 3.27Å; N303-Q393 PolarHBondContact ND2-NE2 3.31Å; N303-Q393 PolarHBondContact O-NE2 3.45Å; P305-Q393 HydrophobicContact CB-CB 4.47Å; P305-Q393 VanDerWaalsContact N-OE1 3.17Å; I386-Q393 WeakPolarHBondContact CA-O 3.47Å; E387-Q393 HydrophobicContact CB-CB 3.94Å; E387-Q393 PolarHBondContact N-O 3.29Å; E387-Q393 VanDerWaalsContact N-O 3.17Å; D390-Q393 HydrophobicContact CB-CG 3.94Å; D390-Q393 PolarHBondContact O-N 2.75Å; D390-Q393 VanDerWaalsContact O-N 3.07Å; P391-Q393 VanDerWaalsContact C-N 3.3Å | ||
| 394 | I | 93.2 | Very high | 92.5 | Very high | 72 Ų | 72 | 50.8 Ų | 50.8 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 108.9 | -171.7 | -52.4 | 177.1 | 0 | 0 | 0 | 110.7 | L384 A385 I386 N392 | L384-I394 HydrophobicContact CB-CG2 4.12Å; L384-I394 HydrophobicContact CD2-CG2 4.11Å; A385-I394 CarbonylContact O-C 3.58Å; A385-I394 WeakPolarHBondContact O-CA 3.36Å; I386-I394 HydrophobicContact CG1-CG1 4.29Å; I386-I394 HydrophobicContact CG1-CG2 4.28Å; I386-I394 HydrophobicContact CG2-CG1 4.48Å; N392-I394 PolarHBondContact O-N 2.94Å |
| 395 | G | 93.5 | Very high | 92.3 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 145.6 | 165 | 0 | 0 | 0 | 0 | 0 | 112.8 | P306 L384 A385 | P306-G395 WeakPolarHBondContact O-CA 3.5Å; L384-G395 CarbonylContact C-O 3.57Å; L384-G395 VanDerWaalsContact CA-O 3.3Å; L384-G395 WeakPolarHBondContact CA-O 3.4Å; A385-G395 PolarHBondContact N-O 3.3Å; A385-G395 PolarHBondContact O-N 2.82Å |
| 396 | K | 94.8 | Very high | 92.1 | Very high | 151 Ų | 151 | 53.2 Ų | 53.2 | 66% | 0.657 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.4 | 174.2 | -60.4 | -172.2 | 179.6 | -179.1 | 0 | 110.8 | F308 T382 L384 | F308-K396 VanDerWaalsContact CD2-C 3.5Å; T382-K396 HydrophobicContact CG2-CB 4.27Å; T382-K396 HydrophobicContact CG2-CD 4.46Å; L384-K396 HydrophobicContact CD2-CD 4.32Å; L384-K396 HydrophobicContact CD2-CG 3.78Å |
| 397 | G | 94.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 143.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T382 I383 | T382-G397 WeakPolarHBondContact CA-O 3.3Å; I383-G397 PolarHBondContact N-O 2.99Å; I383-G397 PolarHBondContact O-N 2.85Å |
| 398 | I | 95.8 | Very high | 91.8 | Very high | 77 Ų | 77 | 55.9 Ų | 55.9 | 40% | 0.395 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.2 | -179.3 | -59.9 | 176 | 0 | 0 | 0 | 108.8 | P311 L312 S313 N380 | P311-I398 PolarHBondContact O-N 3.44Å; L312-I398 CarbonylContact C-O 3.58Å; L312-I398 WeakPolarHBondContact CA-O 3.11Å; L312-I398 HydrophobicContact CD1-CB 4.04Å; L312-I398 HydrophobicContact CD1-CG2 3.68Å; S313-I398 PolarHBondContact N-O 2.98Å; N380-I398 WeakPolarHBondContact OD1-CG2 3.26Å |
| 399 | T | 96.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 114.7 | 174.5 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | S313 L315 I365 L381 I383 I401 | S313-T399 CarbonylContact O-C 3.58Å; S313-T399 VanDerWaalsContact O-CA 3.3Å; S313-T399 WeakPolarHBondContact O-CA 3.44Å; L315-T399 HydrophobicContact CD1-CG2 3.67Å; L315-T399 HydrophobicContact CG-CG2 4.08Å; I365-T399 HydrophobicContact CD1-CG2 3.84Å; L381-T399 PolarHBondContact N-O 2.91Å; L381-T399 PolarHBondContact O-N 3.01Å; I383-T399 WeakPolarHBondContact CG1-OG1 3.31Å; T399-I401 HydrophobicContact CG2-CG1 4.05Å |
| 400 | L | 96.8 | Very high | 92.2 | Very high | 47 Ų | 47 | 50.3 Ų | 50.3 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 114.3 | 175.4 | -168.9 | 72.1 | 0 | 0 | 0 | 108.8 | L312 S313 K314 L315 V378 N380 | L312-L400 HydrophobicContact CD1-CB 4.38Å; S313-L400 PolarHBondContact O-N 3.32Å; K314-L400 WeakPolarHBondContact CA-O 3.42Å; L315-L400 PolarHBondContact N-O 2.91Å; V378-L400 HydrophobicContact CG1-CD1 3.34Å; V378-L400 HydrophobicContact CG1-CG 3.99Å; N380-L400 HydrophobicContact CB-CD1 4.4Å |
| 401 | I | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.2 | 176.1 | -54.9 | -176.6 | 0 | 0 | 0 | 108.4 | L315 V317 I327 F356 I365 V378 H379 L381 T399 | L315-I401 HydrophobicContact CB-CG1 4.33Å; L315-I401 CarbonylContact O-C 3.52Å; L315-I401 VanDerWaalsContact O-CA 3.31Å; L315-I401 WeakPolarHBondContact O-CA 3.31Å; V317-I401 HydrophobicContact CB-CG2 4.37Å; V317-I401 HydrophobicContact CG1-CG2 3.52Å; I327-I401 HydrophobicContact CD1-CD1 4.09Å; I327-I401 HydrophobicContact CD1-CG2 4.46Å; F356-I401 HydrophobicContact CD1-CD1 3.63Å; F356-I401 HydrophobicContact CD2-CD1 4.32Å; F356-I401 HydrophobicContact CE1-CD1 3.52Å; F356-I401 HydrophobicContact CE1-CG2 4.06Å; F356-I401 HydrophobicContact CE2-CD1 4.22Å; F356-I401 HydrophobicContact CG-CD1 4.03Å; F356-I401 HydrophobicContact CZ-CB 4.37Å; F356-I401 HydrophobicContact CZ-CD1 3.84Å; F356-I401 HydrophobicContact CZ-CG2 4.09Å; I365-I401 HydrophobicContact CG2-CD1 4.17Å; V378-I401 WeakPolarHBondContact CA-O 3.41Å; H379-I401 HydrophobicContact CB-CB 4.31Å; H379-I401 PolarHBondContact N-O 3.38Å; H379-I401 PolarHBondContact O-N 3.02Å; L381-I401 HydrophobicContact CD1-CD1 3.48Å; L381-I401 VanDerWaalsContact CD1-CD1 3.48Å; L381-I401 HydrophobicContact CD1-CG1 4.27Å; L381-I401 HydrophobicContact CG-CD1 4.34Å; T399-I401 HydrophobicContact CG2-CG1 4.05Å |
| 402 | T | 96.1 | Very high | 92.6 | Very high | 48 Ų | 48 | 46.9 Ų | 46.9 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.6 | 172.7 | -58.5 | 0 | 0 | 0 | 0 | 109.4 | L315 N316 V317 | L315-T402 PolarHBondContact O-N 2.96Å; N316-T402 WeakPolarHBondContact CA-O 3.32Å; V317-T402 PolarHBondContact N-O 3.05Å |
| 403 | V | 95.5 | Very high | 92.8 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 123.9 | 175.5 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | V317 E319 L371 R373 S377 | V317-V403 HydrophobicContact CG1-CG2 4.27Å; V317-V403 CarbonylContact O-C 3.6Å; V317-V403 VanDerWaalsContact O-CA 3.27Å; V317-V403 WeakPolarHBondContact O-CA 3.38Å; E319-V403 HydrophobicContact CB-CG1 3.64Å; L371-V403 HydrophobicContact CB-CG1 4.29Å; L371-V403 HydrophobicContact CD1-CG2 4.37Å; R373-V403 HydrophobicContact CB-CB 4.28Å; R373-V403 HydrophobicContact CB-CG1 3.85Å; R373-V403 HydrophobicContact CG-CB 4.15Å; R373-V403 HydrophobicContact CG-CG1 4.2Å; S377-V403 PolarHBondContact O-N 3.31Å |
| 404 | L | 93.3 | Very high | 92.6 | Very high | 79 Ų | 79 | 41.1 Ų | 41.1 | 41% | 0.414 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 137.2 | 177.8 | -56.3 | 177.7 | 0 | 0 | 0 | 109.3 | N316 V317 E319 | N316-L404 HydrophobicContact CB-CD1 4.12Å; N316-L404 HydrophobicContact CB-CD2 4.28Å; N316-L404 HydrophobicContact CB-CG 4.19Å; V317-L404 PolarHBondContact O-N 2.98Å; E319-L404 PolarHBondContact N-O 2.96Å; E319-L404 VanDerWaalsContact N-O 3.14Å |
| 405 | D | 90.9 | Very high | 92.4 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 139.1 | -179.9 | -172.7 | 64 | 0 | 0 | 0 | 113.5 | E319 R373 E441 | E319-D405 WeakPolarHBondContact OE1-CA 3.49Å; R373-D405 VanDerWaalsContact CZ-CG 3.45Å; R373-D405 IonicContact CZ-OD1 2.63Å; R373-D405 IonicContact NE-OD1 2.99Å; R373-D405 PolarHBondContact NE-OD1 2.69Å; R373-D405 IonicContact NH1-OD1 3.04Å; R373-D405 PolarHBondContact NH1-OD1 2.74Å; R373-D405 IonicContact NH2-OD1 2.69Å; R373-D405 PolarHBondContact NH2-OD1 3.35Å; D405-E441 HydrophobicContact CB-CB 4.24Å; D405-E441 VanDerWaalsContact CG-N 3.34Å; D405-E441 PolarHBondContact OD1-N 3.42Å; D405-E441 PolarHBondContact OD2-N 3.19Å |
| 406 | V | 90.4 | Very high | 92.1 | Very high | 34 Ų | 34 | 49.8 Ų | 49.8 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | trans | -130.7 | 131.6 | 171 | 175.5 | 0 | 0 | 0 | 0 | 107.1 | S318 E319 D320 D408 | S318-V406 VanDerWaalsContact OG-CG2 3.28Å; S318-V406 WeakPolarHBondContact OG-CG2 3.25Å; E319-V406 HydrophobicContact CG-CB 3.87Å; E319-V406 HydrophobicContact CG-CG2 3.98Å; E319-V406 PolarHBondContact OE1-N 3.19Å; D320-V406 HydrophobicContact CB-CG1 4.39Å; D320-V406 HydrophobicContact CB-CG2 4.04Å; V406-D408 VanDerWaalsContact C-N 3.31Å; V406-D408 PolarHBondContact O-N 3.42Å | ||
| 407 | N | 89.2 | Confident | 91.7 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.059 | 25% | 0.245 | C | C | . | . | trans | -69.4 | 85 | -177.8 | -170.5 | 106 | 0 | 0 | 0 | 111.9 | D440 D497 G499 P501 L503 | N407-D440 WeakPolarHBondContact CA-OD2 3.49Å; N407-D440 PolarHBondContact OD1-OD2 3.26Å; N407-D497 PolarHBondContact ND2-OD2 2.94Å; N407-G499 WeakPolarHBondContact OD1-CA 3.31Å; N407-P501 PolarHBondContact ND2-O 3.3Å; N407-P501 VanDerWaalsContact ND2-O 3.08Å; N407-L503 WeakPolarHBondContact O-CD1 3.36Å | ||
| 408 | D | 89.3 | Confident | 91.3 | Very high | 93 Ų | 93 | 49.2 Ų | 49.2 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | trans | -114.4 | -7.7 | -177.2 | 89 | -19.3 | 0 | 0 | 0 | 113.3 | V406 D440 L503 | V406-D408 VanDerWaalsContact C-N 3.31Å; V406-D408 PolarHBondContact O-N 3.42Å; D408-D440 PolarHBondContact N-OD2 3.31Å; D408-D440 VanDerWaalsContact N-OD2 3.12Å; D408-L503 WeakPolarHBondContact O-CD1 3.49Å | ||
| 409 | N | 89.4 | Confident | 90.9 | Very high | 40 Ų | 40 | 46 Ų | 46 | 21% | 0.214 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -99.7 | 141.7 | 171.1 | -64.3 | -83.6 | 0 | 0 | 0 | 110.6 | K439 D440 L503 | N409-K439 HydrophobicContact CB-CB 4.15Å; N409-D440 VanDerWaalsContact CB-OD1 3.3Å; N409-D440 WeakPolarHBondContact CB-OD1 3.27Å; N409-D440 PolarHBondContact N-OD1 3.19Å; N409-D440 PolarHBondContact N-OD2 3.3Å; N409-D440 PolarHBondContact ND2-OD1 3.39Å; N409-L503 WeakPolarHBondContact O-CD1 3.4Å |
| 410 | A | 89.7 | Confident | 90.4 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 144 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V412 L503 | A410-V412 PolarHBondContact O-N 3.08Å; A410-L503 HydrophobicContact CB-CB 3.91Å |
| 411 | P | 90.8 | Very high | 90 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 132.5 | -178.6 | 27.5 | -35.5 | 0 | 0 | 0 | 110.8 | V437 D438 F448 I495 D497 S505 | P411-V437 WeakPolarHBondContact CA-O 3.18Å; P411-D438 HydrophobicContact CB-CB 4.34Å; P411-D438 WeakPolarHBondContact CB-OD2 3.42Å; P411-D438 WeakPolarHBondContact CD-OD2 3.43Å; P411-F448 HydrophobicContact CB-CD1 3.51Å; P411-F448 HydrophobicContact CB-CE1 3.43Å; P411-F448 VanDerWaalsContact CB-CE1 3.43Å; P411-F448 HydrophobicContact CB-CG 4.35Å; P411-F448 HydrophobicContact CB-CZ 4.19Å; P411-F448 HydrophobicContact CG-CD1 3.94Å; P411-F448 HydrophobicContact CG-CE1 4.21Å; P411-I495 HydrophobicContact CB-CG2 3.94Å; P411-I495 HydrophobicContact CG-CB 4.28Å; P411-I495 HydrophobicContact CG-CG2 3.79Å; P411-D497 HydrophobicContact CG-CB 3.98Å; P411-S505 WeakPolarHBondContact O-CB 3.33Å; P411-S505 PolarHBondContact O-OG 3.38Å |
| 412 | V | 89.7 | Confident | 89.4 | Confident | 65 Ų | 65 | 47.8 Ų | 47.8 | 39% | 0.394 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 163.6 | -179.2 | -66 | 0 | 0 | 0 | 0 | 111.2 | A410 A414 A436 V437 | A410-V412 PolarHBondContact O-N 3.08Å; V412-A414 PolarHBondContact O-N 3Å; V412-A436 CarbonylContact O-C 3.56Å; V412-A436 WeakPolarHBondContact O-CA 3.45Å; V412-A436 VanDerWaalsContact O-CB 3.3Å; V412-A436 WeakPolarHBondContact O-CB 3.47Å; V412-V437 HydrophobicContact CG2-CG2 4.04Å; V412-V437 PolarHBondContact N-O 3.04Å; V412-V437 PolarHBondContact O-N 3.48Å |
| 413 | F | 91.2 | Very high | 88.8 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 136.8 | 171.7 | -73.9 | -22 | 0 | 0 | 0 | 111.3 | I415 Y417 I434 V493 I495 N507 | F413-I415 VanDerWaalsContact CB-O 3.23Å; F413-I415 WeakPolarHBondContact CB-O 3.49Å; F413-I415 PolarHBondContact O-N 3.19Å; F413-Y417 HydrophobicContact CB-CD2 4.09Å; F413-Y417 HydrophobicContact CB-CE2 4.03Å; F413-Y417 HydrophobicContact CD1-CD2 4.23Å; F413-Y417 HydrophobicContact CD1-CE2 4.28Å; F413-Y417 AromaticContact CD2-CD2 3.77Å; F413-Y417 HydrophobicContact CD2-CD2 3.77Å; F413-Y417 HydrophobicContact CD2-CE2 4.48Å; F413-Y417 HydrophobicContact CE2-CD2 4.21Å; F413-Y417 AromaticContact CG-CD2 3.81Å; F413-Y417 HydrophobicContact CG-CD2 3.81Å; F413-Y417 HydrophobicContact CG-CE2 4.06Å; F413-I434 HydrophobicContact CE1-CB 4.44Å; F413-I434 HydrophobicContact CE1-CD1 3.78Å; F413-I434 HydrophobicContact CZ-CD1 4.15Å; F413-V493 HydrophobicContact CE1-CB 4.21Å; F413-V493 HydrophobicContact CE1-CG1 4.37Å; F413-V493 HydrophobicContact CZ-CB 3.9Å; F413-V493 HydrophobicContact CZ-CG2 4.11Å; F413-I495 HydrophobicContact CD1-CD1 3.38Å; F413-I495 HydrophobicContact CE1-CD1 3.57Å; F413-I495 HydrophobicContact CE1-CG1 4.27Å; F413-I495 HydrophobicContact CG-CD1 4.39Å; F413-N507 HydrophobicContact CD1-CB 4.01Å; F413-N507 HydrophobicContact CD2-CB 3.38Å; F413-N507 HydrophobicContact CE1-CB 3.95Å; F413-N507 HydrophobicContact CE2-CB 3.33Å; F413-N507 HydrophobicContact CG-CB 3.71Å; F413-N507 HydrophobicContact CZ-CB 3.62Å; F413-N507 PolarHBondContact N-ND2 3.04Å |
| 414 | A | 88.2 | Confident | 88.1 | Confident | 38 Ų | 38 | 52.5 Ų | 52.5 | 31% | 0.314 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -58.5 | -33 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | V412 S435 V437 | V412-A414 PolarHBondContact O-N 3Å; A414-S435 VanDerWaalsContact CB-OG 3.3Å; A414-S435 WeakPolarHBondContact CB-OG 3.5Å; A414-S435 PolarHBondContact N-O 2.91Å; A414-V437 HydrophobicContact CB-CG1 3.8Å |
| 415 | I | 88.4 | Confident | 87.7 | Confident | 105 Ų | 105 | 48.9 Ų | 48.9 | 54% | 0.538 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -147.5 | 162.7 | 175.3 | 58.2 | 172 | 0 | 0 | 0 | 110.1 | F413 Y417 | F413-I415 VanDerWaalsContact CB-O 3.23Å; F413-I415 WeakPolarHBondContact CB-O 3.49Å; F413-I415 PolarHBondContact O-N 3.19Å; I415-Y417 HydrophobicContact CD1-CD1 4.13Å; I415-Y417 HydrophobicContact CD1-CE1 3.69Å; I415-Y417 HydrophobicContact CG1-CD1 4.01Å; I415-Y417 HydrophobicContact CG1-CD2 4.35Å; I415-Y417 HydrophobicContact CG1-CE1 3.55Å; I415-Y417 HydrophobicContact CG1-CE2 3.93Å; I415-Y417 HydrophobicContact CG1-CG 4.37Å; I415-Y417 VanDerWaalsContact CG1-CZ 3.48Å; I415-Y417 WeakPolarHBondContact O-CD2 3.47Å; I415-Y417 WeakPolarHBondContact O-CE2 3.41Å; I415-Y417 PolarHBondContact O-N 3.03Å; I415-Y417 VanDerWaalsContact O-N 3.13Å |
| 416 | D | 87 | Confident | 87.3 | Confident | 155 Ų | 155 | 53.5 Ų | 53.5 | 83% | 0.829 | 29% | 0.288 | S | S | * | . | trans | -68.3 | 110.4 | 168.7 | -71.2 | -37.9 | 0 | 0 | 0 | 110.5 | ||||
| 417 | Y | 87.1 | Confident | 87.1 | Confident | 24 Ų | 24 | 56 Ų | 56 | 9% | 0.094 | 31% | 0.305 | C | S | . | . | trans | -86.9 | 122.7 | 178.4 | -66.1 | -78 | 0 | 0 | 0 | 111.7 | F413 I415 Q432 I434 S435 L509 | F413-Y417 HydrophobicContact CB-CD2 4.09Å; F413-Y417 HydrophobicContact CB-CE2 4.03Å; F413-Y417 HydrophobicContact CD1-CD2 4.23Å; F413-Y417 HydrophobicContact CD1-CE2 4.28Å; F413-Y417 AromaticContact CD2-CD2 3.77Å; F413-Y417 HydrophobicContact CD2-CD2 3.77Å; F413-Y417 HydrophobicContact CD2-CE2 4.48Å; F413-Y417 HydrophobicContact CE2-CD2 4.21Å; F413-Y417 AromaticContact CG-CD2 3.81Å; F413-Y417 HydrophobicContact CG-CD2 3.81Å; F413-Y417 HydrophobicContact CG-CE2 4.06Å; I415-Y417 HydrophobicContact CD1-CD1 4.13Å; I415-Y417 HydrophobicContact CD1-CE1 3.69Å; I415-Y417 HydrophobicContact CG1-CD1 4.01Å; I415-Y417 HydrophobicContact CG1-CD2 4.35Å; I415-Y417 HydrophobicContact CG1-CE1 3.55Å; I415-Y417 HydrophobicContact CG1-CE2 3.93Å; I415-Y417 HydrophobicContact CG1-CG 4.37Å; I415-Y417 VanDerWaalsContact CG1-CZ 3.48Å; I415-Y417 WeakPolarHBondContact O-CD2 3.47Å; I415-Y417 WeakPolarHBondContact O-CE2 3.41Å; I415-Y417 PolarHBondContact O-N 3.03Å; I415-Y417 VanDerWaalsContact O-N 3.13Å; Y417-Q432 HydrophobicContact CD1-CG 4.38Å; Y417-I434 HydrophobicContact CD1-CG2 4.1Å; Y417-I434 HydrophobicContact CD2-CB 3.99Å; Y417-I434 HydrophobicContact CD2-CG2 3.66Å; Y417-I434 HydrophobicContact CE1-CG2 4.42Å; Y417-I434 HydrophobicContact CE2-CB 3.85Å; Y417-I434 HydrophobicContact CE2-CG2 4.01Å; Y417-I434 HydrophobicContact CG-CB 4.47Å; Y417-I434 HydrophobicContact CG-CG2 3.72Å; Y417-S435 PolarHBondContact OH-N 3.42Å; Y417-S435 PolarHBondContact OH-OG 2.79Å; Y417-L509 VanDerWaalsContact CB-CD1 3.46Å; Y417-L509 WeakPolarHBondContact O-CD1 3.36Å | ||
| 418 | E | 85.9 | Confident | 86.9 | Confident | 117 Ų | 117 | 57.8 Ų | 57.8 | 55% | 0.547 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.9 | 158.6 | -64.3 | -156.6 | 166.3 | 0 | 0 | 108.8 | R512 | E418-R512 IonicContact OE1-NH2 3.42Å; E418-R512 IonicContact OE2-CZ 3.37Å; E418-R512 IonicContact OE2-NE 3.93Å; E418-R512 IonicContact OE2-NH2 3.73Å; E418-R512 PolarHBondContact OE2-NH2 3.1Å |
| 419 | T | 86.8 | Confident | 86.8 | Confident | 9 Ų | 9 | 56.9 Ų | 56.9 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 152.8 | 178.7 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | I431 Q432 L509 S510 V511 R512 | T419-I431 HydrophobicContact CG2-CD1 4.44Å; T419-I431 PolarHBondContact OG1-O 3.33Å; T419-Q432 HydrophobicContact CG2-CB 3.96Å; T419-Q432 HydrophobicContact CG2-CG 4.48Å; T419-Q432 PolarHBondContact OG1-OE1 2.91Å; T419-L509 HydrophobicContact CG2-CD1 4.1Å; T419-L509 HydrophobicContact CG2-CD2 4.39Å; T419-L509 HydrophobicContact CG2-CG 4.42Å; T419-S510 PolarHBondContact N-O 2.8Å; T419-V511 HydrophobicContact CG2-CB 4.14Å; T419-V511 HydrophobicContact CG2-CG1 4.11Å; T419-V511 HydrophobicContact CG2-CG2 3.69Å; T419-V511 CarbonylContact O-C 3.46Å; T419-V511 WeakPolarHBondContact O-CA 3.21Å; T419-R512 PolarHBondContact O-N 2.87Å |
| 420 | L | 86.5 | Confident | 86.8 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 42% | 0.424 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.8 | -179.7 | -55.4 | -177.9 | 0 | 0 | 0 | 109.1 | R512 A522 | L420-R512 CarbonylContact C-O 3.59Å; L420-R512 WeakPolarHBondContact CA-O 3.37Å; L420-R512 HydrophobicContact CD2-CB 3.98Å; L420-A522 HydrophobicContact CB-CB 3.86Å |
| 421 | L | 87.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128 | 177.1 | 178.4 | 67.9 | 0 | 0 | 0 | 109.5 | S425 I431 F462 T476 F481 V511 R512 V513 C514 | L421-S425 WeakPolarHBondContact CD1-OG 3.49Å; L421-I431 HydrophobicContact CD1-CD1 4.48Å; L421-I431 HydrophobicContact CD1-CG2 3.7Å; L421-F462 HydrophobicContact CD2-CE1 3.74Å; L421-F462 HydrophobicContact CD2-CZ 3.68Å; L421-T476 HydrophobicContact CD1-CG2 3.74Å; L421-F481 HydrophobicContact CD1-CD2 4.35Å; L421-F481 HydrophobicContact CD1-CE2 4.39Å; L421-F481 HydrophobicContact CD2-CB 4.08Å; L421-F481 HydrophobicContact CD2-CD1 3.54Å; L421-F481 HydrophobicContact CD2-CD2 3.67Å; L421-F481 HydrophobicContact CD2-CE1 3.78Å; L421-F481 HydrophobicContact CD2-CE2 3.9Å; L421-F481 HydrophobicContact CD2-CG 3.48Å; L421-F481 VanDerWaalsContact CD2-CG 3.48Å; L421-F481 HydrophobicContact CD2-CZ 3.96Å; L421-F481 HydrophobicContact CG-CD2 4.22Å; L421-F481 HydrophobicContact CG-CG 4.29Å; L421-V511 HydrophobicContact CB-CG1 3.55Å; L421-V511 HydrophobicContact CD2-CG1 4.13Å; L421-V511 HydrophobicContact CG-CG1 4.44Å; L421-R512 PolarHBondContact N-O 3.26Å; L421-V513 HydrophobicContact CD2-CG2 4.24Å; L421-V513 CarbonylContact O-C 3.54Å; L421-V513 VanDerWaalsContact O-CA 3.28Å; L421-V513 WeakPolarHBondContact O-CA 3.41Å; L421-C514 PolarHBondContact O-N 2.82Å |
| 422 | C | 84.8 | Confident | 86.7 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.034 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 138.6 | 176.4 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | N424 S425 C516 | C422-N424 PolarHBondContact O-N 2.75Å; C422-N424 PolarHBondContact SG-N 3.48Å; C422-N424 PolarHBondContact SG-OD1 2.84Å; C422-S425 VanDerWaalsContact O-CB 3.29Å; C422-S425 WeakPolarHBondContact O-CB 3.34Å; C422-S425 PolarHBondContact O-N 3.41Å; C422-S425 VanDerWaalsContact O-N 3.11Å; C422-S425 PolarHBondContact O-OG 2.9Å; C422-C516 VanDerWaalsContact C-SG 3.57Å; C422-C516 WeakPolarHBondContact CA-SG 3.32Å; C422-C516 HydrophobicContact CB-CB 4.02Å; C422-C516 WeakPolarHBondContact CB-SG 3.47Å; C422-C516 WeakPolarHBondContact SG-CB 3.41Å; C422-C516 CovalentContact SG-SG 1.97Å; C422-C516 PolarHBondContact SG-SG 2.85Å |
| 423 | E | 83 | Confident | 86.8 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 28% | 0.276 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -33.7 | 177.3 | -72.5 | -160.8 | 145.3 | 0 | 0 | 113.5 | S425 F481 R483 V513 C514 C516 | E423-S425 VanDerWaalsContact C-N 3.31Å; E423-S425 PolarHBondContact O-N 2.68Å; E423-F481 CarbonylContact C-O 3.59Å; E423-F481 WeakPolarHBondContact CA-O 3.45Å; E423-F481 WeakPolarHBondContact CB-O 3.25Å; E423-F481 VanDerWaalsContact CG-O 3.29Å; E423-F481 WeakPolarHBondContact CG-O 3.05Å; E423-F481 PolarHBondContact O-N 3.04Å; E423-R483 WeakPolarHBondContact OE1-CB 3.4Å; E423-R483 PolarHBondContact OE1-N 3.5Å; E423-V513 HydrophobicContact CG-CG1 3.7Å; E423-C514 PolarHBondContact N-O 2.94Å; E423-C514 VanDerWaalsContact N-O 3.13Å; E423-C516 PolarHBondContact N-SG 3.13Å |
| 424 | N | 80.8 | Confident | 86.9 | Confident | 93 Ų | 93 | 58.9 Ų | 58.9 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 7.1 | -179.7 | 79.9 | 17 | 0 | 0 | 0 | 114.2 | C422 M426 | C422-N424 PolarHBondContact O-N 2.75Å; C422-N424 PolarHBondContact SG-N 3.48Å; C422-N424 PolarHBondContact SG-OD1 2.84Å; N424-M426 PolarHBondContact O-N 3.46Å |
| 425 | S | 84.1 | Confident | 87 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 133.4 | -178 | -73.4 | 0 | 0 | 0 | 0 | 112.7 | L421 C422 E423 Q429 G479 | L421-S425 WeakPolarHBondContact CD1-OG 3.49Å; C422-S425 VanDerWaalsContact O-CB 3.29Å; C422-S425 WeakPolarHBondContact O-CB 3.34Å; C422-S425 PolarHBondContact O-N 3.41Å; C422-S425 VanDerWaalsContact O-N 3.11Å; C422-S425 PolarHBondContact O-OG 2.9Å; E423-S425 VanDerWaalsContact C-N 3.31Å; E423-S425 PolarHBondContact O-N 2.68Å; S425-Q429 PolarHBondContact OG-OE1 2.82Å; S425-G479 VanDerWaalsContact O-CA 3.26Å; S425-G479 WeakPolarHBondContact O-CA 3.39Å |
| 426 | M | 83.7 | Confident | 87 | Confident | 139 Ų | 139 | 54.3 Ų | 54.3 | 69% | 0.685 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 154.9 | -179.9 | -56.6 | -170.2 | -157.6 | 0 | 0 | 110.9 | N424 G428 Q429 T476 | N424-M426 PolarHBondContact O-N 3.46Å; M426-G428 PolarHBondContact O-N 2.89Å; M426-Q429 WeakPolarHBondContact O-CB 2.89Å; M426-Q429 PolarHBondContact O-N 3.17Å; M426-T476 PolarHBondContact O-OG1 3.5Å |
| 427 | P | 86.7 | Confident | 87.1 | Confident | 86 Ų | 86 | 50.4 Ų | 50.4 | 56% | 0.558 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 136 | 169.7 | -19.9 | 31 | 0 | 0 | 0 | 111.6 | ||
| 428 | G | 83.8 | Confident | 87.2 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 51% | 0.505 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | M426 L475 T476 | M426-G428 PolarHBondContact O-N 2.89Å; G428-L475 WeakPolarHBondContact O-CD2 3.38Å; G428-T476 WeakPolarHBondContact CA-O 3.42Å; G428-T476 PolarHBondContact N-O 2.92Å; G428-T476 PolarHBondContact N-OG1 3.18Å |
| 429 | Q | 87.3 | Confident | 87.4 | Confident | 74 Ų | 74 | 52 Ų | 52 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | trans | -75.5 | 131.6 | 177.4 | -175.9 | 176.2 | -6.4 | 0 | 0 | 110.7 | S425 M426 L475 T476 | S425-Q429 PolarHBondContact OG-OE1 2.82Å; M426-Q429 WeakPolarHBondContact O-CB 2.89Å; M426-Q429 PolarHBondContact O-N 3.17Å; Q429-L475 WeakPolarHBondContact O-CA 3.47Å; Q429-T476 PolarHBondContact N-OG1 2.8Å; Q429-T476 PolarHBondContact O-N 3.44Å; Q429-T476 VanDerWaalsContact O-N 3.09Å; Q429-T476 PolarHBondContact O-OG1 3.5Å | ||
| 430 | V | 89.2 | Confident | 87.5 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 124.5 | 171 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | I474 L475 | V430-I474 WeakPolarHBondContact CA-O 3.47Å; V430-L475 HydrophobicContact CG2-CD2 3.75Å; V430-L475 HydrophobicContact CG2-CG 3.94Å |
| 431 | I | 88.8 | Confident | 87.4 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -28.6 | -176.4 | 61 | 169.4 | 0 | 0 | 0 | 112.9 | T419 L421 F462 I474 T476 V511 | T419-I431 HydrophobicContact CG2-CD1 4.44Å; T419-I431 PolarHBondContact OG1-O 3.33Å; L421-I431 HydrophobicContact CD1-CD1 4.48Å; L421-I431 HydrophobicContact CD1-CG2 3.7Å; I431-F462 HydrophobicContact CD1-CD1 3.72Å; I431-F462 HydrophobicContact CD1-CE1 3.58Å; I431-I474 HydrophobicContact CD1-CB 4.5Å; I431-I474 HydrophobicContact CD1-CG2 3.87Å; I431-I474 HydrophobicContact CG1-CB 4.04Å; I431-I474 HydrophobicContact CG1-CG2 3.91Å; I431-I474 WeakPolarHBondContact CG1-O 3.36Å; I431-I474 PolarHBondContact N-O 3.36Å; I431-T476 HydrophobicContact CG2-CG2 3.86Å; I431-V511 HydrophobicContact CD1-CG1 4.08Å; I431-V511 HydrophobicContact CD1-CG2 4.28Å |
| 432 | Q | 89.9 | Confident | 86.7 | Confident | 51 Ų | 51 | 56 Ų | 56 | 24% | 0.238 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 141.3 | 177.8 | -172.5 | 59.2 | 36.2 | 0 | 0 | 109.3 | Y417 T419 I434 I474 L509 | Y417-Q432 HydrophobicContact CD1-CG 4.38Å; T419-Q432 HydrophobicContact CG2-CB 3.96Å; T419-Q432 HydrophobicContact CG2-CG 4.48Å; T419-Q432 PolarHBondContact OG1-OE1 2.91Å; Q432-I434 HydrophobicContact CG-CG2 4.06Å; Q432-I474 PolarHBondContact O-N 3.28Å; Q432-L509 HydrophobicContact CG-CD1 4.46Å |
| 433 | T | 92.3 | Very high | 85.7 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 39% | 0.393 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.5 | 163.6 | -55.5 | 0 | 0 | 0 | 0 | 108.1 | T471 A472 | T433-T471 HydrophobicContact CG2-CG2 4.48Å; T433-A472 CarbonylContact C-O 3.53Å; T433-A472 WeakPolarHBondContact CA-O 3.32Å |
| 434 | I | 92.1 | Very high | 84.5 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 146.8 | 177.8 | 57.5 | 170.1 | 0 | 0 | 0 | 109.5 | F413 Y417 Q432 F450 L464 T471 A472 I474 V493 | F413-I434 HydrophobicContact CE1-CB 4.44Å; F413-I434 HydrophobicContact CE1-CD1 3.78Å; F413-I434 HydrophobicContact CZ-CD1 4.15Å; Y417-I434 HydrophobicContact CD1-CG2 4.1Å; Y417-I434 HydrophobicContact CD2-CB 3.99Å; Y417-I434 HydrophobicContact CD2-CG2 3.66Å; Y417-I434 HydrophobicContact CE1-CG2 4.42Å; Y417-I434 HydrophobicContact CE2-CB 3.85Å; Y417-I434 HydrophobicContact CE2-CG2 4.01Å; Y417-I434 HydrophobicContact CG-CB 4.47Å; Y417-I434 HydrophobicContact CG-CG2 3.72Å; Q432-I434 HydrophobicContact CG-CG2 4.06Å; I434-F450 HydrophobicContact CD1-CD1 4.05Å; I434-F450 HydrophobicContact CD1-CE1 4.34Å; I434-L464 HydrophobicContact CD1-CD1 4.46Å; I434-T471 CarbonylContact O-C 3.56Å; I434-T471 VanDerWaalsContact O-CA 3.22Å; I434-T471 WeakPolarHBondContact O-CA 3.16Å; I434-T471 WeakPolarHBondContact O-CB 3.19Å; I434-A472 HydrophobicContact CD1-CB 4.21Å; I434-A472 HydrophobicContact CG1-CB 3.89Å; I434-A472 VanDerWaalsContact CG1-O 3.3Å; I434-A472 WeakPolarHBondContact CG1-O 3.49Å; I434-A472 PolarHBondContact N-O 3.49Å; I434-A472 PolarHBondContact O-N 2.84Å; I434-I474 HydrophobicContact CD1-CD1 4.24Å; I434-V493 HydrophobicContact CD1-CB 4.43Å; I434-V493 HydrophobicContact CD1-CG1 3.85Å; I434-V493 HydrophobicContact CD1-CG2 4.15Å |
| 435 | S | 91.4 | Very high | 83.6 | Confident | 36 Ų | 36 | 65 Ų | 65 | 25% | 0.252 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 158.8 | 172.1 | 63.8 | 0 | 0 | 0 | 0 | 110.2 | A414 Y417 | A414-S435 VanDerWaalsContact CB-OG 3.3Å; A414-S435 WeakPolarHBondContact CB-OG 3.5Å; A414-S435 PolarHBondContact N-O 2.91Å; Y417-S435 PolarHBondContact OH-N 3.42Å; Y417-S435 PolarHBondContact OH-OG 2.79Å |
| 436 | A | 88.8 | Confident | 83 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 157.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V412 F448 F450 I495 | V412-A436 CarbonylContact O-C 3.56Å; V412-A436 WeakPolarHBondContact O-CA 3.45Å; V412-A436 VanDerWaalsContact O-CB 3.3Å; V412-A436 WeakPolarHBondContact O-CB 3.47Å; A436-F448 HydrophobicContact CB-CD2 3.66Å; A436-F448 HydrophobicContact CB-CE2 3.95Å; A436-F448 HydrophobicContact CB-CG 4.1Å; A436-F448 VanDerWaalsContact O-CE2 3.31Å; A436-F448 WeakPolarHBondContact O-CE2 3.47Å; A436-F450 HydrophobicContact CB-CE1 3.93Å; A436-F450 HydrophobicContact CB-CZ 3.76Å; A436-I495 HydrophobicContact CB-CD1 4.04Å; A436-I495 HydrophobicContact CB-CG2 3.85Å |
| 437 | V | 88.7 | Confident | 83 | Confident | 74 Ų | 74 | 64.4 Ų | 64.4 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 146.7 | 172 | -65.5 | 0 | 0 | 0 | 0 | 108.6 | P411 V412 A414 | P411-V437 WeakPolarHBondContact CA-O 3.18Å; V412-V437 HydrophobicContact CG2-CG2 4.04Å; V412-V437 PolarHBondContact N-O 3.04Å; V412-V437 PolarHBondContact O-N 3.48Å; A414-V437 HydrophobicContact CB-CG1 3.8Å |
| 438 | D | 89.8 | Confident | 83.1 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 13% | 0.134 | 33% | 0.33 | C | S | . | . | trans | -126.5 | 150.3 | 174.2 | -150 | -38 | 0 | 0 | 0 | 108.2 | P411 D440 F448 | P411-D438 HydrophobicContact CB-CB 4.34Å; P411-D438 WeakPolarHBondContact CB-OD2 3.42Å; P411-D438 WeakPolarHBondContact CD-OD2 3.43Å; D438-D440 PolarHBondContact OD1-N 3.03Å; D438-F448 HydrophobicContact CB-CE1 3.77Å; D438-F448 HydrophobicContact CB-CZ 3.74Å | ||
| 439 | K | 88.4 | Confident | 83.3 | Confident | 148 Ų | 148 | 62.1 Ų | 62.1 | 64% | 0.643 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -87.5 | -21.8 | 178.6 | -67 | -175.6 | 177.4 | 179.2 | 0 | 112.2 | R373 E374 N409 | R373-K439 PolarHBondContact NH2-O 2.86Å; R373-K439 VanDerWaalsContact NH2-O 3.08Å; E374-K439 HydrophobicContact CG-CB 3.72Å; E374-K439 HydrophobicContact CG-CD 4.37Å; N409-K439 HydrophobicContact CB-CB 4.15Å |
| 440 | D | 89.4 | Confident | 83.5 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -71 | 159.1 | -179.1 | -57.5 | -16.3 | 0 | 0 | 0 | 111.5 | N407 D408 N409 D438 | N407-D440 WeakPolarHBondContact CA-OD2 3.49Å; N407-D440 PolarHBondContact OD1-OD2 3.26Å; D408-D440 PolarHBondContact N-OD2 3.31Å; D408-D440 VanDerWaalsContact N-OD2 3.12Å; N409-D440 VanDerWaalsContact CB-OD1 3.3Å; N409-D440 WeakPolarHBondContact CB-OD1 3.27Å; N409-D440 PolarHBondContact N-OD1 3.19Å; N409-D440 PolarHBondContact N-OD2 3.3Å; N409-D440 PolarHBondContact ND2-OD1 3.39Å; D438-D440 PolarHBondContact OD1-N 3.03Å |
| 441 | E | 84.1 | Confident | 83.4 | Confident | 101 Ų | 101 | 57.9 Ų | 57.9 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -84.2 | 141.4 | 179.1 | -104.5 | 178.9 | -179.1 | 0 | 0 | 113.7 | R373 D405 H446 | R373-E441 IonicContact NH1-OE1 2.91Å; R373-E441 IonicContact NH1-OE2 3.66Å; R373-E441 PolarHBondContact NH1-OE2 2.99Å; D405-E441 HydrophobicContact CB-CB 4.24Å; D405-E441 VanDerWaalsContact CG-N 3.34Å; D405-E441 PolarHBondContact OD1-N 3.42Å; D405-E441 PolarHBondContact OD2-N 3.19Å; E441-H446 PolarHBondContact O-CE1 3.11Å; E441-H446 PolarHBondContact O-NE2 3.39Å |
| 442 | P | 73.2 | Confident | 83.3 | Confident | 70 Ų | 70 | 58.2 Ų | 58.2 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | cis | -88 | 153.7 | 22.3 | 31.1 | -34.7 | 0 | 0 | 0 | 114.5 | D444 G445 | P442-D444 PolarHBondContact O-N 3.23Å; P442-D444 VanDerWaalsContact O-N 3.09Å; P442-G445 VanDerWaalsContact O-CA 3.3Å; P442-G445 WeakPolarHBondContact O-CA 3.42Å; P442-G445 PolarHBondContact O-N 3Å |
| 443 | L | 63.8 | Low | 83.1 | Confident | 164 Ų | 164 | 57.3 Ų | 57.3 | 86% | 0.859 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.4 | 176.9 | -75.8 | 156.1 | 0 | 0 | 0 | 114.6 | G445 | L443-G445 PolarHBondContact O-N 3.31Š|
| 444 | D | 59.3 | Low | 82.3 | Confident | 161 Ų | 161 | 58.5 Ų | 58.5 | 86% | 0.861 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 2.6 | 173.6 | -68.6 | -32.9 | 0 | 0 | 0 | 113.2 | P442 | P442-D444 PolarHBondContact O-N 3.23Å; P442-D444 VanDerWaalsContact O-N 3.09Å |
| 445 | G | 61.2 | Low | 81.4 | Confident | 22 Ų | 22 | 64 Ų | 64 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | trans | 85.3 | 146.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P442 L443 | P442-G445 VanDerWaalsContact O-CA 3.3Å; P442-G445 WeakPolarHBondContact O-CA 3.42Å; P442-G445 PolarHBondContact O-N 3Å; L443-G445 PolarHBondContact O-N 3.31Å | ||
| 446 | H | 72.1 | Confident | 80.6 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 10% | 0.102 | 36% | 0.355 | C | S | . | . | trans | -60.1 | 159.7 | 163.8 | -71.9 | -65.1 | 0 | 0 | 0 | 111.9 | E441 F448 N470 D497 N498 | E441-H446 PolarHBondContact O-CE1 3.11Å; E441-H446 PolarHBondContact O-NE2 3.39Å; H446-F448 HydrophobicContact CB-CD1 4.45Å; H446-F448 HydrophobicContact CB-CE1 3.86Å; H446-F448 HydrophobicContact CB-CZ 4.5Å; H446-F448 WeakPolarHBondContact O-CZ 3.25Å; H446-F448 PolarHBondContact O-N 3.06Å; H446-N470 PolarHBondContact O-ND2 2.88Å; H446-N470 PolarHBondContact O-OD1 2.86Å; H446-D497 HydrophobicContact CB-CB 4.3Å; H446-N498 VanDerWaalsContact CB-OD1 3.26Å; H446-N498 WeakPolarHBondContact CB-OD1 3.25Å; H446-N498 PolarHBondContact ND1-OD1 3.36Å | ||
| 447 | R | 83.7 | Confident | 79.4 | Confident | 107 Ų | 107 | 66.2 Ų | 66.2 | 40% | 0.404 | 38% | 0.377 | S | S | . | . | trans | -77.1 | 112.1 | 173.7 | -171.6 | -177.2 | -168.6 | -73.6 | -9.1 | 108.7 | D466 N470 N498 | R447-D466 IonicContact CZ-OD2 2.77Å; R447-D466 IonicContact NH1-OD2 3.23Å; R447-D466 PolarHBondContact NH1-OD2 3.02Å; R447-D466 IonicContact NH2-OD2 2.94Å; R447-D466 PolarHBondContact NH2-OD2 2.82Å; R447-N470 WeakPolarHBondContact CA-OD1 3.21Å; R447-N498 HydrophobicContact CB-CB 4.5Å; R447-N498 PolarHBondContact N-OD1 3.1Å | ||
| 448 | F | 88 | Confident | 78.2 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.009 | 39% | 0.388 | C | S | . | . | trans | -84.1 | 141.8 | 179.6 | -50.6 | -51.7 | 0 | 0 | 0 | 112 | P411 A436 D438 H446 F450 N470 I495 T496 D497 | P411-F448 HydrophobicContact CB-CD1 3.51Å; P411-F448 HydrophobicContact CB-CE1 3.43Å; P411-F448 VanDerWaalsContact CB-CE1 3.43Å; P411-F448 HydrophobicContact CB-CG 4.35Å; P411-F448 HydrophobicContact CB-CZ 4.19Å; P411-F448 HydrophobicContact CG-CD1 3.94Å; P411-F448 HydrophobicContact CG-CE1 4.21Å; A436-F448 HydrophobicContact CB-CD2 3.66Å; A436-F448 HydrophobicContact CB-CE2 3.95Å; A436-F448 HydrophobicContact CB-CG 4.1Å; A436-F448 VanDerWaalsContact O-CE2 3.31Å; A436-F448 WeakPolarHBondContact O-CE2 3.47Å; D438-F448 HydrophobicContact CB-CE1 3.77Å; D438-F448 HydrophobicContact CB-CZ 3.74Å; H446-F448 HydrophobicContact CB-CD1 4.45Å; H446-F448 HydrophobicContact CB-CE1 3.86Å; H446-F448 HydrophobicContact CB-CZ 4.5Å; H446-F448 WeakPolarHBondContact O-CZ 3.25Å; H446-F448 PolarHBondContact O-N 3.06Å; F448-F450 HydrophobicContact CB-CD2 4.39Å; F448-F450 HydrophobicContact CB-CE2 3.76Å; F448-F450 HydrophobicContact CB-CZ 4.02Å; F448-N470 HydrophobicContact CD2-CB 3.9Å; F448-N470 HydrophobicContact CE2-CB 4.34Å; F448-N470 PolarHBondContact N-OD1 3.36Å; F448-N470 VanDerWaalsContact N-OD1 3.08Å; F448-I495 HydrophobicContact CB-CG2 4Å; F448-I495 HydrophobicContact CG-CG2 4.34Å; F448-T496 CarbonylContact C-O 3.59Å; F448-T496 WeakPolarHBondContact CA-O 3.27Å; F448-D497 HydrophobicContact CD1-CB 4.49Å | ||
| 449 | N | 88.9 | Confident | 77.5 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.8 | 168.3 | -174.2 | 23.7 | 0 | 0 | 0 | 109.1 | I495 T496 | N449-I495 WeakPolarHBondContact O-CA 3.41Å; N449-T496 PolarHBondContact N-O 3.28Å; N449-T496 PolarHBondContact O-N 3.43Å |
| 450 | F | 89.7 | Confident | 76.9 | Confident | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.035 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 128.7 | 179.3 | -63.4 | -91.1 | 0 | 0 | 0 | 109.9 | I434 A436 F448 L464 A472 V493 I495 | I434-F450 HydrophobicContact CD1-CD1 4.05Å; I434-F450 HydrophobicContact CD1-CE1 4.34Å; A436-F450 HydrophobicContact CB-CE1 3.93Å; A436-F450 HydrophobicContact CB-CZ 3.76Å; F448-F450 HydrophobicContact CB-CD2 4.39Å; F448-F450 HydrophobicContact CB-CE2 3.76Å; F448-F450 HydrophobicContact CB-CZ 4.02Å; F450-L464 HydrophobicContact CB-CD1 3.89Å; F450-L464 HydrophobicContact CB-CD2 3.68Å; F450-L464 HydrophobicContact CB-CG 4.42Å; F450-L464 WeakPolarHBondContact O-CD2 3.28Å; F450-A472 HydrophobicContact CB-CB 3.71Å; F450-A472 HydrophobicContact CD1-CB 4.05Å; F450-A472 HydrophobicContact CD2-CB 3.71Å; F450-A472 HydrophobicContact CE2-CB 4.32Å; F450-A472 HydrophobicContact CG-CB 3.56Å; F450-V493 HydrophobicContact CD1-CG1 4.19Å; F450-I495 HydrophobicContact CD1-CG1 3.96Å; F450-I495 HydrophobicContact CD1-CG2 4.15Å; F450-I495 HydrophobicContact CE1-CD1 4.14Å; F450-I495 HydrophobicContact CE1-CG1 4.01Å; F450-I495 HydrophobicContact CE1-CG2 3.88Å; F450-I495 HydrophobicContact CZ-CG2 4.34Å |
| 451 | A | 88.8 | Confident | 76.7 | Confident | 37 Ų | 37 | 65.8 Ų | 65.8 | 31% | 0.306 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 153.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V493 L494 | A451-V493 CarbonylContact O-C 3.5Å; A451-V493 WeakPolarHBondContact O-CA 3.49Å; A451-L494 PolarHBondContact N-O 3.07Å; A451-L494 PolarHBondContact O-N 3.08Å |
| 452 | L | 86.9 | Confident | 76.9 | Confident | 29 Ų | 29 | 61 Ų | 61 | 15% | 0.152 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 135.6 | 163.8 | -67.2 | 175.1 | 0 | 0 | 0 | 108 | N459 L464 V493 | L452-N459 HydrophobicContact CD1-CB 4.5Å; L452-L464 HydrophobicContact CG-CB 4.26Å; L452-V493 HydrophobicContact CD2-CG2 4.4Å |
| 453 | D | 84.3 | Confident | 77.7 | Confident | 32 Ų | 32 | 60 Ų | 60 | 17% | 0.171 | 36% | 0.364 | C | S | . | . | trans | -54.5 | 150.9 | 179.1 | -178.3 | -94.9 | 0 | 0 | 0 | 111.4 | T455 V456 A457 P492 T506 | D453-T455 PolarHBondContact O-N 3.39Å; D453-T455 VanDerWaalsContact OD1-CB 3.29Å; D453-T455 WeakPolarHBondContact OD1-CB 3.36Å; D453-T455 VanDerWaalsContact OD1-CG2 3.27Å; D453-T455 WeakPolarHBondContact OD1-CG2 3.31Å; D453-T455 PolarHBondContact OD1-N 3.43Å; D453-T455 PolarHBondContact OD1-OG1 2.84Å; D453-V456 CarbonylContact O-C 3.54Å; D453-V456 WeakPolarHBondContact O-CA 3.42Å; D453-V456 PolarHBondContact O-N 3.31Å; D453-A457 PolarHBondContact O-N 2.73Å; D453-P492 HydrophobicContact CB-CB 3.73Å; D453-P492 HydrophobicContact CB-CG 3.83Å; D453-P492 WeakPolarHBondContact CB-O 3.45Å; D453-P492 PolarHBondContact N-O 3.43Å; D453-T506 HydrophobicContact CB-CG2 4.22Å | ||
| 454 | A | 75.2 | Confident | 78.9 | Confident | 90 Ų | 90 | 53.6 Ų | 53.6 | 74% | 0.744 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -55.3 | -30.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V456 A457 | A454-V456 PolarHBondContact O-N 3.04Å; A454-A457 PolarHBondContact O-N 3.36Å |
| 455 | T | 73.6 | Confident | 80.4 | Confident | 116 Ų | 116 | 52 Ų | 52 | 71% | 0.712 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -62.7 | -22.4 | 174.8 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | D453 | D453-T455 PolarHBondContact O-N 3.39Å; D453-T455 VanDerWaalsContact OD1-CB 3.29Å; D453-T455 WeakPolarHBondContact OD1-CB 3.36Å; D453-T455 VanDerWaalsContact OD1-CG2 3.27Å; D453-T455 WeakPolarHBondContact OD1-CG2 3.31Å; D453-T455 PolarHBondContact OD1-N 3.43Å; D453-T455 PolarHBondContact OD1-OG1 2.84Å |
| 456 | V | 75.6 | Confident | 81.6 | Confident | 27 Ų | 27 | 53 Ų | 53 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -126.1 | 9.3 | -174.6 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | D453 A454 G458 N459 L491 P492 | D453-V456 CarbonylContact O-C 3.54Å; D453-V456 WeakPolarHBondContact O-CA 3.42Å; D453-V456 PolarHBondContact O-N 3.31Å; A454-V456 PolarHBondContact O-N 3.04Å; V456-G458 PolarHBondContact O-N 3.47Å; V456-N459 HydrophobicContact CG1-CB 3.58Å; V456-N459 WeakPolarHBondContact CG1-ND2 3.28Å; V456-N459 WeakPolarHBondContact O-CB 3.38Å; V456-N459 PolarHBondContact O-N 3.08Å; V456-L491 HydrophobicContact CG1-CD2 4.21Å; V456-P492 HydrophobicContact CB-CG 4.26Å; V456-P492 HydrophobicContact CG2-CG 3.58Å |
| 457 | A | 61.9 | Low | 82.4 | Confident | 67 Ų | 67 | 54 Ų | 54 | 55% | 0.554 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D453 A454 | D453-A457 PolarHBondContact O-N 2.73Å; A454-A457 PolarHBondContact O-N 3.36Å |
| 458 | G | 65.4 | Low | 82.3 | Confident | 65 Ų | 65 | 57 Ų | 57 | 67% | 0.67 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 14.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V456 L460 | V456-G458 PolarHBondContact O-N 3.47Å; G458-L460 PolarHBondContact O-N 2.89Å |
| 459 | N | 74.4 | Confident | 82.1 | Confident | 25 Ų | 25 | 61.7 Ų | 61.7 | 13% | 0.134 | 36% | 0.36 | C | S | . | . | trans | -56 | 123.4 | -175.3 | -163.2 | -37 | 0 | 0 | 0 | 111.3 | L452 V456 N461 F462 K477 L491 | L452-N459 HydrophobicContact CD1-CB 4.5Å; V456-N459 HydrophobicContact CG1-CB 3.58Å; V456-N459 WeakPolarHBondContact CG1-ND2 3.28Å; V456-N459 WeakPolarHBondContact O-CB 3.38Å; V456-N459 PolarHBondContact O-N 3.08Å; N459-N461 VanDerWaalsContact OD1-CA 3.32Å; N459-N461 WeakPolarHBondContact OD1-CA 3.3Å; N459-N461 WeakPolarHBondContact OD1-CB 3.29Å; N459-N461 PolarHBondContact OD1-N 2.69Å; N459-F462 PolarHBondContact OD1-N 3.17Å; N459-F462 VanDerWaalsContact OD1-N 3.1Å; N459-K477 WeakPolarHBondContact O-CD 3.34Å; N459-K477 WeakPolarHBondContact O-CE 3.28Å; N459-K477 PolarHBondContact O-NZ 3Å; N459-L491 WeakPolarHBondContact ND2-CD2 3.41Å | ||
| 460 | L | 76.3 | Confident | 82 | Confident | 131 Ų | 131 | 59.4 Ų | 59.4 | 69% | 0.686 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -87.4 | -10.6 | 178 | -64.5 | 173.1 | 0 | 0 | 0 | 112.6 | G458 K477 | G458-L460 PolarHBondContact O-N 2.89Å; L460-K477 WeakPolarHBondContact O-CB 3.41Å |
| 461 | N | 84.9 | Confident | 81.9 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 11% | 0.112 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -98.6 | -39.6 | -173.7 | -62 | -8.4 | 0 | 0 | 0 | 111.9 | N459 T476 K477 R478 F481 Y489 | N459-N461 VanDerWaalsContact OD1-CA 3.32Å; N459-N461 WeakPolarHBondContact OD1-CA 3.3Å; N459-N461 WeakPolarHBondContact OD1-CB 3.29Å; N459-N461 PolarHBondContact OD1-N 2.69Å; N461-T476 CarbonylContact O-C 3.46Å; N461-T476 WeakPolarHBondContact O-CA 3.26Å; N461-K477 PolarHBondContact O-N 3.45Å; N461-R478 VanDerWaalsContact OD1-CD 3.27Å; N461-R478 WeakPolarHBondContact OD1-CD 3.45Å; N461-R478 PolarHBondContact OD1-NE 3.32Å; N461-R478 PolarHBondContact OD1-NH1 3.3Å; N461-F481 HydrophobicContact CB-CE1 3.9Å; N461-F481 HydrophobicContact CB-CZ 4.3Å; N461-Y489 WeakPolarHBondContact ND2-CE1 3.45Å |
| 462 | F | 88.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 155.3 | -175.4 | -52.5 | -81.7 | 0 | 0 | 0 | 112.6 | L421 I431 N459 I474 L475 T476 K477 F481 Y489 L491 V511 | L421-F462 HydrophobicContact CD2-CE1 3.74Å; L421-F462 HydrophobicContact CD2-CZ 3.68Å; I431-F462 HydrophobicContact CD1-CD1 3.72Å; I431-F462 HydrophobicContact CD1-CE1 3.58Å; N459-F462 PolarHBondContact OD1-N 3.17Å; N459-F462 VanDerWaalsContact OD1-N 3.1Å; F462-I474 HydrophobicContact CB-CG2 4.35Å; F462-I474 HydrophobicContact CD1-CG2 4.4Å; F462-L475 CarbonylContact C-O 3.54Å; F462-L475 VanDerWaalsContact CA-O 3.26Å; F462-L475 WeakPolarHBondContact CA-O 3.33Å; F462-T476 HydrophobicContact CD1-CG2 4.45Å; F462-T476 HydrophobicContact CE1-CG2 4.33Å; F462-K477 WeakPolarHBondContact O-CE 3.42Å; F462-F481 HydrophobicContact CE1-CE1 4.3Å; F462-F481 HydrophobicContact CE1-CZ 4.14Å; F462-F481 HydrophobicContact CE2-CE1 4.39Å; F462-F481 AromaticContact CZ-CE1 3.9Å; F462-F481 HydrophobicContact CZ-CE1 3.9Å; F462-F481 HydrophobicContact CZ-CZ 4.22Å; F462-Y489 AromaticContact CE2-CD1 3.97Å; F462-Y489 HydrophobicContact CE2-CD1 3.97Å; F462-Y489 AromaticContact CE2-CD2 4Å; F462-Y489 HydrophobicContact CE2-CD2 4Å; F462-Y489 AromaticContact CE2-CG 3.65Å; F462-Y489 HydrophobicContact CE2-CG 3.65Å; F462-Y489 AromaticContact CZ-CD2 3.97Å; F462-Y489 HydrophobicContact CZ-CD2 3.97Å; F462-Y489 HydrophobicContact CZ-CG 4.09Å; F462-L491 HydrophobicContact CB-CD1 4Å; F462-L491 HydrophobicContact CB-CD2 4.3Å; F462-L491 HydrophobicContact CD1-CD1 4.26Å; F462-L491 HydrophobicContact CD2-CD1 3.76Å; F462-L491 HydrophobicContact CD2-CD2 3.66Å; F462-L491 HydrophobicContact CD2-CG 4.21Å; F462-L491 HydrophobicContact CE2-CD1 4.26Å; F462-L491 HydrophobicContact CE2-CD2 4.34Å; F462-L491 HydrophobicContact CG-CD1 3.72Å; F462-L491 HydrophobicContact CG-CD2 4.25Å; F462-V511 HydrophobicContact CE1-CG1 4.18Å; F462-V511 HydrophobicContact CZ-CB 4.44Å; F462-V511 HydrophobicContact CZ-CG1 3.99Å |
| 463 | T | 88.6 | Confident | 82.3 | Confident | 48 Ų | 48 | 57.4 Ų | 57.4 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.8 | 174.5 | 176.4 | 0 | 0 | 0 | 0 | 108.8 | L475 K477 | T463-L475 HydrophobicContact CG2-CB 3.85Å; T463-L475 HydrophobicContact CG2-CD1 4.43Å; T463-L475 PolarHBondContact N-O 3.42Å; T463-L475 PolarHBondContact O-N 3.06Å; T463-K477 VanDerWaalsContact CB-CE 3.49Å; T463-K477 HydrophobicContact CG2-CG 3.65Å |
| 464 | L | 89.8 | Confident | 82.7 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140.7 | 177.4 | -172.4 | 150.6 | 0 | 0 | 0 | 109.3 | I434 F450 L452 A472 I474 V493 | I434-L464 HydrophobicContact CD1-CD1 4.46Å; F450-L464 HydrophobicContact CB-CD1 3.89Å; F450-L464 HydrophobicContact CB-CD2 3.68Å; F450-L464 HydrophobicContact CB-CG 4.42Å; F450-L464 WeakPolarHBondContact O-CD2 3.28Å; L452-L464 HydrophobicContact CG-CB 4.26Å; L464-A472 HydrophobicContact CD1-CB 4.17Å; L464-A472 HydrophobicContact CD2-CB 3.81Å; L464-A472 HydrophobicContact CG-CB 4.01Å; L464-I474 HydrophobicContact CB-CD1 4.15Å; L464-I474 HydrophobicContact CD1-CD1 3.62Å; L464-I474 HydrophobicContact CG-CD1 3.86Å; L464-V493 HydrophobicContact CD1-CG1 3.83Å |
| 465 | R | 89.7 | Confident | 83.4 | Confident | 126 Ų | 126 | 52.5 Ų | 52.5 | 48% | 0.475 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 117.5 | 171.6 | -177.2 | -177 | 72.5 | -168.4 | -0.1 | 109.3 | N467 A472 S473 L475 | R465-N467 PolarHBondContact NE-OD1 3.3Å; R465-N467 PolarHBondContact O-N 3.17Å; R465-A472 CarbonylContact O-C 3.5Å; R465-A472 WeakPolarHBondContact O-CA 3.48Å; R465-S473 PolarHBondContact N-O 2.85Å; R465-S473 PolarHBondContact NH2-OG 2.85Å; R465-S473 PolarHBondContact O-N 2.67Å; R465-L475 HydrophobicContact CB-CD1 3.51Å |
| 466 | D | 87 | Confident | 84.1 | Confident | 44 Ų | 44 | 47 Ų | 47 | 24% | 0.235 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 121.9 | 168.1 | 178.7 | 10.2 | 0 | 0 | 0 | 108.9 | R447 K468 | R447-D466 IonicContact CZ-OD2 2.77Å; R447-D466 IonicContact NH1-OD2 3.23Å; R447-D466 PolarHBondContact NH1-OD2 3.02Å; R447-D466 IonicContact NH2-OD2 2.94Å; R447-D466 PolarHBondContact NH2-OD2 2.82Å; D466-K468 VanDerWaalsContact C-N 3.26Å; D466-K468 WeakPolarHBondContact OD1-CA 3.47Å; D466-K468 PolarHBondContact OD1-N 3.26Å |
| 467 | N | 88.8 | Confident | 84.6 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 24% | 0.235 | 28% | 0.275 | C | S | . | . | trans | -83.4 | -4.5 | 178.7 | -65.1 | -28.3 | 0 | 0 | 0 | 112.2 | R465 D469 T471 S473 | R465-N467 PolarHBondContact NE-OD1 3.3Å; R465-N467 PolarHBondContact O-N 3.17Å; N467-D469 VanDerWaalsContact C-N 3.25Å; N467-D469 WeakPolarHBondContact CB-OD1 3.21Å; N467-D469 PolarHBondContact O-N 3.04Å; N467-T471 WeakPolarHBondContact CB-O 3.02Å; N467-T471 WeakPolarHBondContact CB-OG1 3.42Å; N467-T471 PolarHBondContact N-O 3.25Å; N467-T471 PolarHBondContact ND2-OG1 3.02Å; N467-S473 VanDerWaalsContact CG-OG 3.25Å; N467-S473 PolarHBondContact ND2-OG 3.5Å; N467-S473 PolarHBondContact OD1-OG 3.17Å | ||
| 468 | K | 82.4 | Confident | 85.7 | Confident | 169 Ų | 169 | 52 Ų | 52 | 74% | 0.735 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 66.2 | 18.4 | 179.8 | -51.9 | -178.2 | 177.2 | -178.8 | 0 | 115.3 | D466 | D466-K468 VanDerWaalsContact C-N 3.26Å; D466-K468 WeakPolarHBondContact OD1-CA 3.47Å; D466-K468 PolarHBondContact OD1-N 3.26Å |
| 469 | D | 84.3 | Confident | 86.4 | Confident | 100 Ų | 100 | 50.3 Ų | 50.3 | 54% | 0.535 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -128.9 | 33.2 | -179.2 | 61.7 | -3.5 | 0 | 0 | 0 | 111.3 | N467 T471 | N467-D469 VanDerWaalsContact C-N 3.25Å; N467-D469 WeakPolarHBondContact CB-OD1 3.21Å; N467-D469 PolarHBondContact O-N 3.04Å; D469-T471 PolarHBondContact O-N 3.5Å; D469-T471 VanDerWaalsContact O-N 3.13Å; D469-T471 WeakPolarHBondContact OD1-CB 3.32Å; D469-T471 PolarHBondContact OD1-N 3.4Å; D469-T471 VanDerWaalsContact OD1-N 3.14Å; D469-T471 PolarHBondContact OD1-OG1 3.37Å |
| 470 | N | 85.1 | Confident | 86.7 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 59.1 | 17.2 | -172.1 | -73.4 | -12 | 0 | 0 | 0 | 114.5 | H446 R447 F448 | H446-N470 PolarHBondContact O-ND2 2.88Å; H446-N470 PolarHBondContact O-OD1 2.86Å; R447-N470 WeakPolarHBondContact CA-OD1 3.21Å; F448-N470 HydrophobicContact CD2-CB 3.9Å; F448-N470 HydrophobicContact CE2-CB 4.34Å; F448-N470 PolarHBondContact N-OD1 3.36Å; F448-N470 VanDerWaalsContact N-OD1 3.08Å |
| 471 | T | 89.3 | Confident | 87.1 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 17% | 0.172 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 155 | 168.1 | 79.3 | 0 | 0 | 0 | 0 | 111.6 | T433 I434 N467 D469 | T433-T471 HydrophobicContact CG2-CG2 4.48Å; I434-T471 CarbonylContact O-C 3.56Å; I434-T471 VanDerWaalsContact O-CA 3.22Å; I434-T471 WeakPolarHBondContact O-CA 3.16Å; I434-T471 WeakPolarHBondContact O-CB 3.19Å; N467-T471 WeakPolarHBondContact CB-O 3.02Å; N467-T471 WeakPolarHBondContact CB-OG1 3.42Å; N467-T471 PolarHBondContact N-O 3.25Å; N467-T471 PolarHBondContact ND2-OG1 3.02Å; D469-T471 PolarHBondContact O-N 3.5Å; D469-T471 VanDerWaalsContact O-N 3.13Å; D469-T471 WeakPolarHBondContact OD1-CB 3.32Å; D469-T471 PolarHBondContact OD1-N 3.4Å; D469-T471 VanDerWaalsContact OD1-N 3.14Å; D469-T471 PolarHBondContact OD1-OG1 3.37Å |
| 472 | A | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 136.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T433 I434 F450 L464 R465 | T433-A472 CarbonylContact C-O 3.53Å; T433-A472 WeakPolarHBondContact CA-O 3.32Å; I434-A472 HydrophobicContact CD1-CB 4.21Å; I434-A472 HydrophobicContact CG1-CB 3.89Å; I434-A472 VanDerWaalsContact CG1-O 3.3Å; I434-A472 WeakPolarHBondContact CG1-O 3.49Å; I434-A472 PolarHBondContact N-O 3.49Å; I434-A472 PolarHBondContact O-N 2.84Å; F450-A472 HydrophobicContact CB-CB 3.71Å; F450-A472 HydrophobicContact CD1-CB 4.05Å; F450-A472 HydrophobicContact CD2-CB 3.71Å; F450-A472 HydrophobicContact CE2-CB 4.32Å; F450-A472 HydrophobicContact CG-CB 3.56Å; L464-A472 HydrophobicContact CD1-CB 4.17Å; L464-A472 HydrophobicContact CD2-CB 3.81Å; L464-A472 HydrophobicContact CG-CB 4.01Å; R465-A472 CarbonylContact O-C 3.5Å; R465-A472 WeakPolarHBondContact O-CA 3.48Å |
| 473 | S | 92.2 | Very high | 86.4 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.2 | 172.5 | -56.8 | 0 | 0 | 0 | 0 | 109.9 | R465 N467 L475 | R465-S473 PolarHBondContact N-O 2.85Å; R465-S473 PolarHBondContact NH2-OG 2.85Å; R465-S473 PolarHBondContact O-N 2.67Å; N467-S473 VanDerWaalsContact CG-OG 3.25Å; N467-S473 PolarHBondContact ND2-OG 3.5Å; N467-S473 PolarHBondContact OD1-OG 3.17Å; S473-L475 WeakPolarHBondContact O-CD1 3.4Å |
| 474 | I | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.1 | 169.4 | -53.2 | -59.5 | 0 | 0 | 0 | 108.5 | V430 I431 Q432 I434 F462 L464 L491 L509 | V430-I474 WeakPolarHBondContact CA-O 3.47Å; I431-I474 HydrophobicContact CD1-CB 4.5Å; I431-I474 HydrophobicContact CD1-CG2 3.87Å; I431-I474 HydrophobicContact CG1-CB 4.04Å; I431-I474 HydrophobicContact CG1-CG2 3.91Å; I431-I474 WeakPolarHBondContact CG1-O 3.36Å; I431-I474 PolarHBondContact N-O 3.36Å; Q432-I474 PolarHBondContact O-N 3.28Å; I434-I474 HydrophobicContact CD1-CD1 4.24Å; F462-I474 HydrophobicContact CB-CG2 4.35Å; F462-I474 HydrophobicContact CD1-CG2 4.4Å; L464-I474 HydrophobicContact CB-CD1 4.15Å; L464-I474 HydrophobicContact CD1-CD1 3.62Å; L464-I474 HydrophobicContact CG-CD1 3.86Å; I474-L491 HydrophobicContact CG2-CD1 4.14Å; I474-L509 HydrophobicContact CB-CD2 4.42Å; I474-L509 HydrophobicContact CG1-CD2 3.7Å; I474-L509 HydrophobicContact CG2-CD2 4.47Å |
| 475 | L | 90.3 | Very high | 85.3 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 152.2 | 179.4 | -45.3 | 89.3 | 0 | 0 | 0 | 111.9 | G428 Q429 V430 F462 T463 R465 S473 | G428-L475 WeakPolarHBondContact O-CD2 3.38Å; Q429-L475 WeakPolarHBondContact O-CA 3.47Å; V430-L475 HydrophobicContact CG2-CD2 3.75Å; V430-L475 HydrophobicContact CG2-CG 3.94Å; F462-L475 CarbonylContact C-O 3.54Å; F462-L475 VanDerWaalsContact CA-O 3.26Å; F462-L475 WeakPolarHBondContact CA-O 3.33Å; T463-L475 HydrophobicContact CG2-CB 3.85Å; T463-L475 HydrophobicContact CG2-CD1 4.43Å; T463-L475 PolarHBondContact N-O 3.42Å; T463-L475 PolarHBondContact O-N 3.06Å; R465-L475 HydrophobicContact CB-CD1 3.51Å; S473-L475 WeakPolarHBondContact O-CD1 3.4Å |
| 476 | T | 89.4 | Confident | 85 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 133.6 | 172.1 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | L421 M426 G428 Q429 I431 N461 F462 F481 | L421-T476 HydrophobicContact CD1-CG2 3.74Å; M426-T476 PolarHBondContact O-OG1 3.5Å; G428-T476 WeakPolarHBondContact CA-O 3.42Å; G428-T476 PolarHBondContact N-O 2.92Å; G428-T476 PolarHBondContact N-OG1 3.18Å; Q429-T476 PolarHBondContact N-OG1 2.8Å; Q429-T476 PolarHBondContact O-N 3.44Å; Q429-T476 VanDerWaalsContact O-N 3.09Å; Q429-T476 PolarHBondContact O-OG1 3.5Å; I431-T476 HydrophobicContact CG2-CG2 3.86Å; N461-T476 CarbonylContact O-C 3.46Å; N461-T476 WeakPolarHBondContact O-CA 3.26Å; F462-T476 HydrophobicContact CD1-CG2 4.45Å; F462-T476 HydrophobicContact CE1-CG2 4.33Å; T476-F481 HydrophobicContact CG2-CE2 3.69Å; T476-F481 HydrophobicContact CG2-CZ 4.08Å |
| 477 | K | 86.2 | Confident | 84.7 | Confident | 100 Ų | 100 | 66.8 Ų | 66.8 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -89.7 | -26 | 171.6 | -81.1 | -169.2 | -173.1 | 172.4 | 0 | 113.1 | N459 L460 N461 F462 T463 | N459-K477 WeakPolarHBondContact O-CD 3.34Å; N459-K477 WeakPolarHBondContact O-CE 3.28Å; N459-K477 PolarHBondContact O-NZ 3Å; L460-K477 WeakPolarHBondContact O-CB 3.41Å; N461-K477 PolarHBondContact O-N 3.45Å; F462-K477 WeakPolarHBondContact O-CE 3.42Å; T463-K477 VanDerWaalsContact CB-CE 3.49Å; T463-K477 HydrophobicContact CG2-CG 3.65Å |
| 478 | R | 84.1 | Confident | 84.7 | Confident | 98 Ų | 98 | 67 Ų | 67 | 37% | 0.37 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -132.4 | 164.5 | 179.4 | 77.3 | -178.7 | -161 | 174.3 | -0.4 | 110 | N461 F481 | N461-R478 VanDerWaalsContact OD1-CD 3.27Å; N461-R478 WeakPolarHBondContact OD1-CD 3.45Å; N461-R478 PolarHBondContact OD1-NE 3.32Å; N461-R478 PolarHBondContact OD1-NH1 3.3Å; R478-F481 HydrophobicContact CG-CE1 4.49Å; R478-F481 HydrophobicContact CG-CZ 4.1Å; R478-F481 WeakPolarHBondContact O-CE2 3.28Å; R478-F481 WeakPolarHBondContact O-CZ 3.47Å |
| 479 | G | 80.2 | Confident | 84.9 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | trans | -105.4 | -172.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | S425 | S425-G479 VanDerWaalsContact O-CA 3.26Å; S425-G479 WeakPolarHBondContact O-CA 3.39Å | ||
| 480 | G | 80.3 | Confident | 85.1 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 50% | 0.495 | 30% | 0.301 | S | S | . | . | trans | 74.4 | 38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R482 | G480-R482 PolarHBondContact O-N 2.97Š| ||
| 481 | F | 84.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | trans | -68.1 | 124.1 | 173.6 | -66.2 | -82.4 | 0 | 0 | 0 | 109.2 | L421 E423 N461 F462 T476 R478 Y489 V513 | L421-F481 HydrophobicContact CD1-CD2 4.35Å; L421-F481 HydrophobicContact CD1-CE2 4.39Å; L421-F481 HydrophobicContact CD2-CB 4.08Å; L421-F481 HydrophobicContact CD2-CD1 3.54Å; L421-F481 HydrophobicContact CD2-CD2 3.67Å; L421-F481 HydrophobicContact CD2-CE1 3.78Å; L421-F481 HydrophobicContact CD2-CE2 3.9Å; L421-F481 HydrophobicContact CD2-CG 3.48Å; L421-F481 VanDerWaalsContact CD2-CG 3.48Å; L421-F481 HydrophobicContact CD2-CZ 3.96Å; L421-F481 HydrophobicContact CG-CD2 4.22Å; L421-F481 HydrophobicContact CG-CG 4.29Å; E423-F481 CarbonylContact C-O 3.59Å; E423-F481 WeakPolarHBondContact CA-O 3.45Å; E423-F481 WeakPolarHBondContact CB-O 3.25Å; E423-F481 VanDerWaalsContact CG-O 3.29Å; E423-F481 WeakPolarHBondContact CG-O 3.05Å; E423-F481 PolarHBondContact O-N 3.04Å; N461-F481 HydrophobicContact CB-CE1 3.9Å; N461-F481 HydrophobicContact CB-CZ 4.3Å; F462-F481 HydrophobicContact CE1-CE1 4.3Å; F462-F481 HydrophobicContact CE1-CZ 4.14Å; F462-F481 HydrophobicContact CE2-CE1 4.39Å; F462-F481 AromaticContact CZ-CE1 3.9Å; F462-F481 HydrophobicContact CZ-CE1 3.9Å; F462-F481 HydrophobicContact CZ-CZ 4.22Å; T476-F481 HydrophobicContact CG2-CE2 3.69Å; T476-F481 HydrophobicContact CG2-CZ 4.08Å; R478-F481 HydrophobicContact CG-CE1 4.49Å; R478-F481 HydrophobicContact CG-CZ 4.1Å; R478-F481 WeakPolarHBondContact O-CE2 3.28Å; R478-F481 WeakPolarHBondContact O-CZ 3.47Å; F481-Y489 HydrophobicContact CD1-CE2 4.01Å; F481-Y489 HydrophobicContact CE1-CE2 4.42Å; F481-V513 HydrophobicContact CB-CG1 4.11Å | ||
| 482 | R | 80.7 | Confident | 85.3 | Confident | 151 Ų | 151 | 61.9 Ų | 61.9 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | trans | -115.9 | 122.7 | 176.4 | -69.7 | 174.7 | 179.1 | 168.9 | -1.1 | 110.2 | G480 R484 E485 Q486 | G480-R482 PolarHBondContact O-N 2.97Å; R482-R484 PolarHBondContact O-N 3.1Å; R482-E485 HydrophobicContact CB-CB 4.29Å; R482-E485 HydrophobicContact CB-CG 4Å; R482-E485 VanDerWaalsContact CD-OE1 3.24Å; R482-E485 WeakPolarHBondContact CD-OE1 3.5Å; R482-E485 IonicContact CZ-OE1 3.56Å; R482-E485 IonicContact NH1-OE1 3.89Å; R482-E485 PolarHBondContact NH1-OE1 3.47Å; R482-E485 PolarHBondContact O-N 2.74Å; R482-Q486 PolarHBondContact O-N 3.43Å; R482-Q486 VanDerWaalsContact O-N 3.13Å | ||
| 483 | R | 78.1 | Confident | 85.3 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -34.2 | 176.8 | -175.8 | 178.9 | 178.6 | -165.7 | -0.3 | 112.2 | E423 E485 A487 V513 D515 G526 | E423-R483 WeakPolarHBondContact OE1-CB 3.4Å; E423-R483 PolarHBondContact OE1-N 3.5Å; R483-E485 VanDerWaalsContact C-N 3.29Å; R483-E485 PolarHBondContact O-N 2.83Å; R483-A487 HydrophobicContact CG-CB 4.36Å; R483-A487 PolarHBondContact O-N 3.47Å; R483-V513 HydrophobicContact CB-CB 4.38Å; R483-V513 HydrophobicContact CB-CG1 4.17Å; R483-V513 WeakPolarHBondContact CD-O 3.47Å; R483-V513 WeakPolarHBondContact CG-O 3.27Å; R483-D515 IonicContact NH1-OD2 3.89Å; R483-D515 PolarHBondContact NH1-OD2 3.5Å; R483-G526 PolarHBondContact NH2-O 3.14Å |
| 484 | R | 75.2 | Confident | 85.2 | Confident | 250 Ų | 250 | 63.8 Ų | 63.8 | 94% | 0.943 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27.2 | 175.9 | -65.4 | -175 | -175.6 | -174.7 | 1.6 | 113.7 | R482 | R482-R484 PolarHBondContact O-N 3.1Š|
| 485 | E | 81.9 | Confident | 85.2 | Confident | 111 Ų | 111 | 63.8 Ų | 63.8 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -48.1 | -179.8 | -67.1 | 176.7 | -172.7 | 0 | 0 | 110.7 | R482 R483 | R482-E485 HydrophobicContact CB-CB 4.29Å; R482-E485 HydrophobicContact CB-CG 4Å; R482-E485 VanDerWaalsContact CD-OE1 3.24Å; R482-E485 WeakPolarHBondContact CD-OE1 3.5Å; R482-E485 IonicContact CZ-OE1 3.56Å; R482-E485 IonicContact NH1-OE1 3.89Å; R482-E485 PolarHBondContact NH1-OE1 3.47Å; R482-E485 PolarHBondContact O-N 2.74Å; R483-E485 VanDerWaalsContact C-N 3.29Å; R483-E485 PolarHBondContact O-N 2.83Å |
| 486 | Q | 81.9 | Confident | 85.2 | Confident | 96 Ų | 96 | 64.6 Ų | 64.6 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | trans | -150.2 | 111.2 | 176.4 | -173.6 | 72.6 | 33.2 | 0 | 0 | 109.4 | R482 V488 Y489 V513 | R482-Q486 PolarHBondContact O-N 3.43Å; R482-Q486 VanDerWaalsContact O-N 3.13Å; Q486-V488 PolarHBondContact NE2-O 3.11Å; Q486-Y489 HydrophobicContact CB-CE1 4.07Å; Q486-Y489 HydrophobicContact CB-CE2 4.14Å; Q486-Y489 HydrophobicContact CG-CD1 3.98Å; Q486-Y489 HydrophobicContact CG-CD2 4.33Å; Q486-Y489 HydrophobicContact CG-CE1 3.6Å; Q486-Y489 HydrophobicContact CG-CE2 3.98Å; Q486-Y489 HydrophobicContact CG-CG 4.33Å; Q486-V513 WeakPolarHBondContact O-CG2 3.37Å | ||
| 487 | A | 82.2 | Confident | 85.2 | Confident | 46 Ų | 46 | 65 Ų | 65 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -80.4 | -28.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R483 R512 V513 | R483-A487 HydrophobicContact CG-CB 4.36Å; R483-A487 PolarHBondContact O-N 3.47Å; A487-R512 WeakPolarHBondContact O-CA 3.31Å; A487-V513 PolarHBondContact O-N 3.48Å |
| 488 | V | 87.1 | Confident | 85.3 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 30% | 0.297 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 129 | -178.5 | -174.3 | 0 | 0 | 0 | 0 | 110 | Q486 V511 R512 | Q486-V488 PolarHBondContact NE2-O 3.11Å; V488-V511 CarbonylContact C-O 3.33Å; V488-V511 WeakPolarHBondContact CA-O 3.42Å; V488-R512 HydrophobicContact CG1-CG 4.43Å; V488-R512 HydrophobicContact CG2-CG 4.13Å |
| 489 | Y | 87 | Confident | 85.2 | Confident | 28 Ų | 28 | 60.5 Ų | 60.5 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.9 | 168.4 | -62.9 | -89 | 0 | 0 | 0 | 109.3 | N461 F462 F481 Q486 V511 V513 | N461-Y489 WeakPolarHBondContact ND2-CE1 3.45Å; F462-Y489 AromaticContact CE2-CD1 3.97Å; F462-Y489 HydrophobicContact CE2-CD1 3.97Å; F462-Y489 AromaticContact CE2-CD2 4Å; F462-Y489 HydrophobicContact CE2-CD2 4Å; F462-Y489 AromaticContact CE2-CG 3.65Å; F462-Y489 HydrophobicContact CE2-CG 3.65Å; F462-Y489 AromaticContact CZ-CD2 3.97Å; F462-Y489 HydrophobicContact CZ-CD2 3.97Å; F462-Y489 HydrophobicContact CZ-CG 4.09Å; F481-Y489 HydrophobicContact CD1-CE2 4.01Å; F481-Y489 HydrophobicContact CE1-CE2 4.42Å; Q486-Y489 HydrophobicContact CB-CE1 4.07Å; Q486-Y489 HydrophobicContact CB-CE2 4.14Å; Q486-Y489 HydrophobicContact CG-CD1 3.98Å; Q486-Y489 HydrophobicContact CG-CD2 4.33Å; Q486-Y489 HydrophobicContact CG-CE1 3.6Å; Q486-Y489 HydrophobicContact CG-CE2 3.98Å; Q486-Y489 HydrophobicContact CG-CG 4.33Å; Y489-V511 PolarHBondContact N-O 3.28Å; Y489-V511 PolarHBondContact O-N 2.86Å; Y489-V513 HydrophobicContact CD2-CG2 3.94Å; Y489-V513 HydrophobicContact CE2-CG2 3.6Å |
| 490 | R | 88.3 | Confident | 85.2 | Confident | 180 Ų | 180 | 68.3 Ų | 68.3 | 68% | 0.679 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.9 | 173.1 | -66.8 | 177.5 | 179.7 | -107.1 | 0.7 | 107.9 | P492 | R490-P492 WeakPolarHBondContact O-CD 3.28Å |
| 491 | L | 89.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 95.8 | -177.4 | -64.7 | 175.5 | 0 | 0 | 0 | 108.9 | V456 N459 F462 I474 V493 T508 L509 V511 | V456-L491 HydrophobicContact CG1-CD2 4.21Å; N459-L491 WeakPolarHBondContact ND2-CD2 3.41Å; F462-L491 HydrophobicContact CB-CD1 4Å; F462-L491 HydrophobicContact CB-CD2 4.3Å; F462-L491 HydrophobicContact CD1-CD1 4.26Å; F462-L491 HydrophobicContact CD2-CD1 3.76Å; F462-L491 HydrophobicContact CD2-CD2 3.66Å; F462-L491 HydrophobicContact CD2-CG 4.21Å; F462-L491 HydrophobicContact CE2-CD1 4.26Å; F462-L491 HydrophobicContact CE2-CD2 4.34Å; F462-L491 HydrophobicContact CG-CD1 3.72Å; F462-L491 HydrophobicContact CG-CD2 4.25Å; I474-L491 HydrophobicContact CG2-CD1 4.14Å; L491-V493 PolarHBondContact O-N 3.32Å; L491-T508 CarbonylContact O-C 3.55Å; L491-T508 WeakPolarHBondContact O-CA 3.47Å; L491-L509 HydrophobicContact CB-CB 4.23Å; L491-L509 HydrophobicContact CD1-CD2 4.33Å; L491-L509 PolarHBondContact N-O 3.06Å; L491-L509 PolarHBondContact O-N 2.95Å; L491-V511 HydrophobicContact CD1-CG2 3.6Å; L491-V511 HydrophobicContact CG-CG2 4.27Å |
| 492 | P | 90.5 | Very high | 85.8 | Confident | 17 Ų | 17 | 73.2 Ų | 73.2 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 117.2 | 168 | 27.1 | -32.3 | 0 | 0 | 0 | 109.5 | D453 V456 R490 T506 T508 | D453-P492 HydrophobicContact CB-CB 3.73Å; D453-P492 HydrophobicContact CB-CG 3.83Å; D453-P492 WeakPolarHBondContact CB-O 3.45Å; D453-P492 PolarHBondContact N-O 3.43Å; V456-P492 HydrophobicContact CB-CG 4.26Å; V456-P492 HydrophobicContact CG2-CG 3.58Å; R490-P492 WeakPolarHBondContact O-CD 3.28Å; P492-T506 HydrophobicContact CB-CG2 3.64Å; P492-T508 HydrophobicContact CB-CG2 4.02Å |
| 493 | V | 90.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120 | 174.9 | -177.1 | 0 | 0 | 0 | 0 | 107.3 | F413 I434 F450 A451 L452 L464 L491 I495 T506 N507 | F413-V493 HydrophobicContact CE1-CB 4.21Å; F413-V493 HydrophobicContact CE1-CG1 4.37Å; F413-V493 HydrophobicContact CZ-CB 3.9Å; F413-V493 HydrophobicContact CZ-CG2 4.11Å; I434-V493 HydrophobicContact CD1-CB 4.43Å; I434-V493 HydrophobicContact CD1-CG1 3.85Å; I434-V493 HydrophobicContact CD1-CG2 4.15Å; F450-V493 HydrophobicContact CD1-CG1 4.19Å; A451-V493 CarbonylContact O-C 3.5Å; A451-V493 WeakPolarHBondContact O-CA 3.49Å; L452-V493 HydrophobicContact CD2-CG2 4.4Å; L464-V493 HydrophobicContact CD1-CG1 3.83Å; L491-V493 PolarHBondContact O-N 3.32Å; V493-I495 HydrophobicContact CG1-CG1 4.4Å; V493-T506 CarbonylContact O-C 3.44Å; V493-T506 WeakPolarHBondContact O-CA 3.45Å; V493-N507 PolarHBondContact N-O 2.77Å; V493-N507 PolarHBondContact O-N 3.21Å |
| 494 | L | 91.3 | Very high | 86.9 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 126.4 | 170.3 | -178.5 | 71.9 | 0 | 0 | 0 | 108.4 | A451 S505 T506 | A451-L494 PolarHBondContact N-O 3.07Å; A451-L494 PolarHBondContact O-N 3.08Å; L494-S505 WeakPolarHBondContact CA-O 3.43Å; L494-T506 WeakPolarHBondContact CD1-OG1 3.34Å |
| 495 | I | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.8 | 176 | -44.3 | 171.8 | 0 | 0 | 0 | 106.1 | P411 F413 A436 F448 N449 F450 V493 S504 S505 | P411-I495 HydrophobicContact CB-CG2 3.94Å; P411-I495 HydrophobicContact CG-CB 4.28Å; P411-I495 HydrophobicContact CG-CG2 3.79Å; F413-I495 HydrophobicContact CD1-CD1 3.38Å; F413-I495 HydrophobicContact CE1-CD1 3.57Å; F413-I495 HydrophobicContact CE1-CG1 4.27Å; F413-I495 HydrophobicContact CG-CD1 4.39Å; A436-I495 HydrophobicContact CB-CD1 4.04Å; A436-I495 HydrophobicContact CB-CG2 3.85Å; F448-I495 HydrophobicContact CB-CG2 4Å; F448-I495 HydrophobicContact CG-CG2 4.34Å; N449-I495 WeakPolarHBondContact O-CA 3.41Å; F450-I495 HydrophobicContact CD1-CG1 3.96Å; F450-I495 HydrophobicContact CD1-CG2 4.15Å; F450-I495 HydrophobicContact CE1-CD1 4.14Å; F450-I495 HydrophobicContact CE1-CG1 4.01Å; F450-I495 HydrophobicContact CE1-CG2 3.88Å; F450-I495 HydrophobicContact CZ-CG2 4.34Å; V493-I495 HydrophobicContact CG1-CG1 4.4Å; I495-S504 CarbonylContact O-C 3.52Å; I495-S504 WeakPolarHBondContact O-CA 3.48Å; I495-S504 WeakPolarHBondContact O-CB 3.5Å; I495-S505 PolarHBondContact N-O 3.49Å; I495-S505 PolarHBondContact O-N 3.18Å |
| 496 | T | 90.3 | Very high | 88.1 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.8 | 178.8 | -49.5 | 0 | 0 | 0 | 0 | 108.8 | F448 N449 A502 L503 S504 | F448-T496 CarbonylContact C-O 3.59Å; F448-T496 WeakPolarHBondContact CA-O 3.27Å; N449-T496 PolarHBondContact N-O 3.28Å; N449-T496 PolarHBondContact O-N 3.43Å; T496-A502 HydrophobicContact CG2-CB 4.32Å; T496-L503 WeakPolarHBondContact CA-O 3.44Å; T496-L503 WeakPolarHBondContact CG2-O 3.47Å; T496-S504 WeakPolarHBondContact OG1-CB 3.41Å |
| 497 | D | 89.9 | Confident | 88.5 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | trans | -74.1 | 178.7 | 173.2 | 64.3 | 45.9 | 0 | 0 | 0 | 111 | N407 P411 H446 F448 G499 A502 L503 | N407-D497 PolarHBondContact ND2-OD2 2.94Å; P411-D497 HydrophobicContact CG-CB 3.98Å; H446-D497 HydrophobicContact CB-CB 4.3Å; F448-D497 HydrophobicContact CD1-CB 4.49Å; D497-G499 WeakPolarHBondContact OD1-CA 3.15Å; D497-G499 PolarHBondContact OD1-N 3.11Å; D497-A502 WeakPolarHBondContact OD1-CA 3.24Å; D497-L503 VanDerWaalsContact CG-N 3.32Å; D497-L503 PolarHBondContact N-O 3.35Å; D497-L503 PolarHBondContact OD1-N 3.41Å; D497-L503 VanDerWaalsContact OD2-CA 3.3Å; D497-L503 WeakPolarHBondContact OD2-CA 3.36Å; D497-L503 VanDerWaalsContact OD2-CB 3.24Å; D497-L503 WeakPolarHBondContact OD2-CB 3.44Å; D497-L503 PolarHBondContact OD2-N 2.9Å | ||
| 498 | N | 86.5 | Confident | 88.9 | Confident | 92 Ų | 92 | 53.9 Ų | 53.9 | 49% | 0.492 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -109 | 17.6 | 171.4 | 70.9 | -19.7 | 0 | 0 | 0 | 112.6 | H446 R447 | H446-N498 VanDerWaalsContact CB-OD1 3.26Å; H446-N498 WeakPolarHBondContact CB-OD1 3.25Å; H446-N498 PolarHBondContact ND1-OD1 3.36Å; R447-N498 HydrophobicContact CB-CB 4.5Å; R447-N498 PolarHBondContact N-OD1 3.1Å |
| 499 | G | 82.1 | Confident | 89 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 13% | 0.134 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -68.3 | 175.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | N407 D497 P501 A502 | N407-G499 WeakPolarHBondContact OD1-CA 3.31Å; D497-G499 WeakPolarHBondContact OD1-CA 3.15Å; D497-G499 PolarHBondContact OD1-N 3.11Å; G499-P501 CarbonylContact C-O 3.45Å; G499-P501 CarbonylContact O-C 3.57Å; G499-A502 WeakPolarHBondContact O-CA 3.44Å; G499-A502 PolarHBondContact O-N 3.02Å |
| 500 | K | 81.1 | Confident | 89.1 | Confident | 193 Ų | 193 | 51 Ų | 51 | 84% | 0.839 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -132.5 | 108.4 | 176.7 | -70.7 | -176.1 | -176.4 | 174.1 | 0 | 109.7 | ||
| 501 | P | 88.1 | Confident | 89.2 | Confident | 92 Ų | 92 | 42.4 Ų | 42.4 | 60% | 0.597 | 25% | 0.249 | S | C | * | . | S | Bend | cis | -66.1 | 151.9 | -3.6 | 31 | -35.5 | 0 | 0 | 0 | 111.8 | N407 G499 | N407-P501 PolarHBondContact ND2-O 3.3Å; N407-P501 VanDerWaalsContact ND2-O 3.08Å; G499-P501 CarbonylContact C-O 3.45Å; G499-P501 CarbonylContact O-C 3.57Å |
| 502 | A | 88.5 | Confident | 89.1 | Confident | 60 Ų | 60 | 47.3 Ų | 47.3 | 50% | 0.496 | 27% | 0.268 | S | S | . | . | trans | -76 | 127.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | T496 D497 G499 | T496-A502 HydrophobicContact CG2-CB 4.32Å; D497-A502 WeakPolarHBondContact OD1-CA 3.24Å; G499-A502 WeakPolarHBondContact O-CA 3.44Å; G499-A502 PolarHBondContact O-N 3.02Å | ||
| 503 | L | 91.3 | Very high | 88.9 | Confident | 50 Ų | 50 | 46.5 Ų | 46.5 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | trans | -105.3 | 157.1 | 177.2 | -58.1 | 177.4 | 0 | 0 | 0 | 110.6 | N407 D408 N409 A410 T496 D497 | N407-L503 WeakPolarHBondContact O-CD1 3.36Å; D408-L503 WeakPolarHBondContact O-CD1 3.49Å; N409-L503 WeakPolarHBondContact O-CD1 3.4Å; A410-L503 HydrophobicContact CB-CB 3.91Å; T496-L503 WeakPolarHBondContact CA-O 3.44Å; T496-L503 WeakPolarHBondContact CG2-O 3.47Å; D497-L503 VanDerWaalsContact CG-N 3.32Å; D497-L503 PolarHBondContact N-O 3.35Å; D497-L503 PolarHBondContact OD1-N 3.41Å; D497-L503 VanDerWaalsContact OD2-CA 3.3Å; D497-L503 WeakPolarHBondContact OD2-CA 3.36Å; D497-L503 VanDerWaalsContact OD2-CB 3.24Å; D497-L503 WeakPolarHBondContact OD2-CB 3.44Å; D497-L503 PolarHBondContact OD2-N 2.9Å | ||
| 504 | S | 91.4 | Very high | 88.5 | Confident | 65 Ų | 65 | 46.5 Ų | 46.5 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 143.9 | -178.3 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | I495 T496 | I495-S504 CarbonylContact O-C 3.52Å; I495-S504 WeakPolarHBondContact O-CA 3.48Å; I495-S504 WeakPolarHBondContact O-CB 3.5Å; T496-S504 WeakPolarHBondContact OG1-CB 3.41Å |
| 505 | S | 91.8 | Very high | 87.8 | Confident | 21 Ų | 21 | 48.2 Ų | 48.2 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 155.1 | 172.3 | 86.1 | 0 | 0 | 0 | 0 | 110.4 | P411 L494 I495 N507 | P411-S505 WeakPolarHBondContact O-CB 3.33Å; P411-S505 PolarHBondContact O-OG 3.38Å; L494-S505 WeakPolarHBondContact CA-O 3.43Å; I495-S505 PolarHBondContact N-O 3.49Å; I495-S505 PolarHBondContact O-N 3.18Å; S505-N507 PolarHBondContact OG-OD1 3.01Å |
| 506 | T | 91.4 | Very high | 87 | Confident | 70 Ų | 70 | 50 Ų | 50 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 112 | 172.9 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | D453 P492 V493 L494 | D453-T506 HydrophobicContact CB-CG2 4.22Å; P492-T506 HydrophobicContact CB-CG2 3.64Å; V493-T506 CarbonylContact O-C 3.44Å; V493-T506 WeakPolarHBondContact O-CA 3.45Å; L494-T506 WeakPolarHBondContact CD1-OG1 3.34Å |
| 507 | N | 90.1 | Very high | 85.9 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136.7 | 178.4 | -67.4 | 51.5 | 0 | 0 | 0 | 110.1 | F413 V493 S505 | F413-N507 HydrophobicContact CD1-CB 4.01Å; F413-N507 HydrophobicContact CD2-CB 3.38Å; F413-N507 HydrophobicContact CE1-CB 3.95Å; F413-N507 HydrophobicContact CE2-CB 3.33Å; F413-N507 HydrophobicContact CG-CB 3.71Å; F413-N507 HydrophobicContact CZ-CB 3.62Å; F413-N507 PolarHBondContact N-ND2 3.04Å; V493-N507 PolarHBondContact N-O 2.77Å; V493-N507 PolarHBondContact O-N 3.21Å; S505-N507 PolarHBondContact OG-OD1 3.01Å |
| 508 | T | 89.8 | Confident | 84.7 | Confident | 78 Ų | 78 | 55.6 Ų | 55.6 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 113.2 | -175.9 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | L491 P492 | L491-T508 CarbonylContact O-C 3.55Å; L491-T508 WeakPolarHBondContact O-CA 3.47Å; P492-T508 HydrophobicContact CB-CG2 4.02Å |
| 509 | L | 90.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 127 | 169.4 | 171.5 | 68.3 | 0 | 0 | 0 | 110.4 | Y417 T419 Q432 I474 L491 V511 | Y417-L509 VanDerWaalsContact CB-CD1 3.46Å; Y417-L509 WeakPolarHBondContact O-CD1 3.36Å; T419-L509 HydrophobicContact CG2-CD1 4.1Å; T419-L509 HydrophobicContact CG2-CD2 4.39Å; T419-L509 HydrophobicContact CG2-CG 4.42Å; Q432-L509 HydrophobicContact CG-CD1 4.46Å; I474-L509 HydrophobicContact CB-CD2 4.42Å; I474-L509 HydrophobicContact CG1-CD2 3.7Å; I474-L509 HydrophobicContact CG2-CD2 4.47Å; L491-L509 HydrophobicContact CB-CB 4.23Å; L491-L509 HydrophobicContact CD1-CD2 4.33Å; L491-L509 PolarHBondContact N-O 3.06Å; L491-L509 PolarHBondContact O-N 2.95Å; L509-V511 HydrophobicContact CD2-CG2 4.17Å; L509-V511 HydrophobicContact CG-CG2 4.11Å |
| 510 | S | 89.1 | Confident | 82.6 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 11% | 0.112 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.1 | 175.1 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | T419 | T419-S510 PolarHBondContact N-O 2.8Å |
| 511 | V | 88.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 113.5 | 178 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | T419 L421 I431 F462 V488 Y489 L491 L509 | T419-V511 HydrophobicContact CG2-CB 4.14Å; T419-V511 HydrophobicContact CG2-CG1 4.11Å; T419-V511 HydrophobicContact CG2-CG2 3.69Å; T419-V511 CarbonylContact O-C 3.46Å; T419-V511 WeakPolarHBondContact O-CA 3.21Å; L421-V511 HydrophobicContact CB-CG1 3.55Å; L421-V511 HydrophobicContact CD2-CG1 4.13Å; L421-V511 HydrophobicContact CG-CG1 4.44Å; I431-V511 HydrophobicContact CD1-CG1 4.08Å; I431-V511 HydrophobicContact CD1-CG2 4.28Å; F462-V511 HydrophobicContact CE1-CG1 4.18Å; F462-V511 HydrophobicContact CZ-CB 4.44Å; F462-V511 HydrophobicContact CZ-CG1 3.99Å; V488-V511 CarbonylContact C-O 3.33Å; V488-V511 WeakPolarHBondContact CA-O 3.42Å; Y489-V511 PolarHBondContact N-O 3.28Å; Y489-V511 PolarHBondContact O-N 2.86Å; L491-V511 HydrophobicContact CD1-CG2 3.6Å; L491-V511 HydrophobicContact CG-CG2 4.27Å; L509-V511 HydrophobicContact CD2-CG2 4.17Å; L509-V511 HydrophobicContact CG-CG2 4.11Å |
| 512 | R | 87.2 | Confident | 80.7 | Confident | 104 Ų | 104 | 50 Ų | 50 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131 | 178.8 | -56.3 | -169.9 | -173.1 | -143.7 | 2.5 | 111 | E418 T419 L420 L421 A487 V488 | E418-R512 IonicContact OE1-NH2 3.42Å; E418-R512 IonicContact OE2-CZ 3.37Å; E418-R512 IonicContact OE2-NE 3.93Å; E418-R512 IonicContact OE2-NH2 3.73Å; E418-R512 PolarHBondContact OE2-NH2 3.1Å; T419-R512 PolarHBondContact O-N 2.87Å; L420-R512 CarbonylContact C-O 3.59Å; L420-R512 WeakPolarHBondContact CA-O 3.37Å; L420-R512 HydrophobicContact CD2-CB 3.98Å; L421-R512 PolarHBondContact N-O 3.26Å; A487-R512 WeakPolarHBondContact O-CA 3.31Å; V488-R512 HydrophobicContact CG1-CG 4.43Å; V488-R512 HydrophobicContact CG2-CG 4.13Å |
| 513 | V | 86.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 120.9 | 179.1 | -171.4 | 0 | 0 | 0 | 0 | 110.4 | L421 E423 F481 R483 Q486 A487 Y489 C525 | L421-V513 HydrophobicContact CD2-CG2 4.24Å; L421-V513 CarbonylContact O-C 3.54Å; L421-V513 VanDerWaalsContact O-CA 3.28Å; L421-V513 WeakPolarHBondContact O-CA 3.41Å; E423-V513 HydrophobicContact CG-CG1 3.7Å; F481-V513 HydrophobicContact CB-CG1 4.11Å; R483-V513 HydrophobicContact CB-CB 4.38Å; R483-V513 HydrophobicContact CB-CG1 4.17Å; R483-V513 WeakPolarHBondContact CD-O 3.47Å; R483-V513 WeakPolarHBondContact CG-O 3.27Å; Q486-V513 WeakPolarHBondContact O-CG2 3.37Å; A487-V513 PolarHBondContact O-N 3.48Å; Y489-V513 HydrophobicContact CD2-CG2 3.94Å; Y489-V513 HydrophobicContact CE2-CG2 3.6Å; V513-C525 PolarHBondContact O-SG 2.88Å |
| 514 | C | 81.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 160 | -178.6 | -38.8 | 0 | 0 | 0 | 0 | 112.4 | L421 E423 C516 A522 C525 | L421-C514 PolarHBondContact O-N 2.82Å; E423-C514 PolarHBondContact N-O 2.94Å; E423-C514 VanDerWaalsContact N-O 3.13Å; C514-C516 PolarHBondContact O-SG 2.79Å; C514-A522 HydrophobicContact CB-CB 4.16Å; C514-C525 WeakPolarHBondContact CA-SG 3.22Å; C514-C525 HydrophobicContact CB-CB 3.97Å; C514-C525 WeakPolarHBondContact CB-SG 3.3Å; C514-C525 PolarHBondContact N-SG 3.42Å; C514-C525 VanDerWaalsContact N-SG 3.44Å; C514-C525 VanDerWaalsContact SG-CA 3.5Å; C514-C525 WeakPolarHBondContact SG-CB 3.43Å; C514-C525 PolarHBondContact SG-N 3.02Å; C514-C525 VanDerWaalsContact SG-N 3.37Å; C514-C525 CovalentContact SG-SG 2.01Å; C514-C525 PolarHBondContact SG-SG 3.3Å |
| 515 | D | 77.6 | Confident | 76.6 | Confident | 81 Ų | 81 | 52.7 Ų | 52.7 | 43% | 0.433 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 152.3 | 166.9 | -52.5 | -53.1 | 0 | 0 | 0 | 110 | R483 L523 | R483-D515 IonicContact NH1-OD2 3.89Å; R483-D515 PolarHBondContact NH1-OD2 3.5Å; D515-L523 PolarHBondContact O-N 3.41Å |
| 516 | C | 73.2 | Confident | 74.8 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 25% | 0.25 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 154.7 | -169.6 | -28.4 | 0 | 0 | 0 | 0 | 112.2 | C422 E423 C514 V521 | C422-C516 VanDerWaalsContact C-SG 3.57Å; C422-C516 WeakPolarHBondContact CA-SG 3.32Å; C422-C516 HydrophobicContact CB-CB 4.02Å; C422-C516 WeakPolarHBondContact CB-SG 3.47Å; C422-C516 WeakPolarHBondContact SG-CB 3.41Å; C422-C516 CovalentContact SG-SG 1.97Å; C422-C516 PolarHBondContact SG-SG 2.85Å; E423-C516 PolarHBondContact N-SG 3.13Å; C514-C516 PolarHBondContact O-SG 2.79Å; C516-V521 WeakPolarHBondContact CA-O 3.34Å |
| 517 | D | 69.1 | Low | 72.6 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | trans | -74.7 | 176.4 | 167.9 | 50 | 37.7 | 0 | 0 | 0 | 113.3 | D519 G520 V521 L523 | D517-D519 PolarHBondContact O-N 3.03Å; D517-D519 WeakPolarHBondContact OD1-CA 3.09Å; D517-D519 PolarHBondContact OD1-N 2.91Å; D517-G520 PolarHBondContact O-N 2.64Å; D517-G520 VanDerWaalsContact O-N 3.16Å; D517-G520 PolarHBondContact OD1-N 3.21Å; D517-V521 PolarHBondContact N-O 2.64Å; D517-V521 VanDerWaalsContact N-O 3.07Å; D517-V521 PolarHBondContact OD1-N 3.45Å; D517-L523 HydrophobicContact CB-CD1 3.46Å; D517-L523 VanDerWaalsContact CB-CD1 3.46Å; D517-L523 HydrophobicContact CB-CG 4.03Å; D517-L523 WeakPolarHBondContact OD2-CG 3.16Å | ||
| 518 | S | 64.4 | Low | 70.5 | Confident | 121 Ų | 121 | 58.3 Ų | 58.3 | 85% | 0.846 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -19 | 170.8 | 47 | 0 | 0 | 0 | 0 | 114.5 | ||
| 519 | D | 62.3 | Low | 67.9 | Low | 136 Ų | 136 | 57.4 Ų | 57.4 | 73% | 0.727 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 1.4 | -178.6 | -62.2 | -33.7 | 0 | 0 | 0 | 112.5 | D517 | D517-D519 PolarHBondContact O-N 3.03Å; D517-D519 WeakPolarHBondContact OD1-CA 3.09Å; D517-D519 PolarHBondContact OD1-N 2.91Å |
| 520 | G | 62.4 | Low | 65.4 | Low | 25 Ų | 25 | 67.9 Ų | 67.9 | 26% | 0.258 | 41% | 0.406 | S | S | . | . | S | Bend | trans | 79.9 | 16.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D517 | D517-G520 PolarHBondContact O-N 2.64Å; D517-G520 VanDerWaalsContact O-N 3.16Å; D517-G520 PolarHBondContact OD1-N 3.21Å |
| 521 | V | 64.8 | Low | 63.1 | Low | 87 Ų | 87 | 72.8 Ų | 72.8 | 53% | 0.527 | 44% | 0.435 | S | S | . | . | trans | -97 | 136.4 | 177.2 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | C516 D517 L523 | C516-V521 WeakPolarHBondContact CA-O 3.34Å; D517-V521 PolarHBondContact N-O 2.64Å; D517-V521 VanDerWaalsContact N-O 3.07Å; D517-V521 PolarHBondContact OD1-N 3.45Å; V521-L523 PolarHBondContact O-N 2.77Å | ||
| 522 | A | 64.2 | Low | 60.9 | Low | 24 Ų | 24 | 76.5 Ų | 76.5 | 20% | 0.198 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 112.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L420 C514 | L420-A522 HydrophobicContact CB-CB 3.86Å; C514-A522 HydrophobicContact CB-CB 4.16Å |
| 523 | L | 60.4 | Low | 59.1 | Low | 122 Ų | 122 | 77.5 Ų | 77.5 | 64% | 0.639 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -34.2 | -170.1 | -87.5 | 175.5 | 0 | 0 | 0 | 114.8 | D515 D517 V521 | D515-L523 PolarHBondContact O-N 3.41Å; D517-L523 HydrophobicContact CB-CD1 3.46Å; D517-L523 VanDerWaalsContact CB-CD1 3.46Å; D517-L523 HydrophobicContact CB-CG 4.03Å; D517-L523 WeakPolarHBondContact OD2-CG 3.16Å; V521-L523 PolarHBondContact O-N 2.77Å |
| 524 | S | 59.6 | Low | 57.6 | Low | 79 Ų | 79 | 81 Ų | 81 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 124.8 | 166.3 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | G526 | S524-G526 PolarHBondContact O-N 3.04Å; S524-G526 VanDerWaalsContact O-N 3.1Å |
| 525 | C | 63.5 | Low | 56.3 | Low | 31 Ų | 31 | 85.1 Ų | 85.1 | 21% | 0.209 | 54% | 0.541 | C | S | . | . | trans | -74.6 | 96.6 | 160 | -89 | 0 | 0 | 0 | 0 | 106.3 | V513 C514 A527 | V513-C525 PolarHBondContact O-SG 2.88Å; C514-C525 WeakPolarHBondContact CA-SG 3.22Å; C514-C525 HydrophobicContact CB-CB 3.97Å; C514-C525 WeakPolarHBondContact CB-SG 3.3Å; C514-C525 PolarHBondContact N-SG 3.42Å; C514-C525 VanDerWaalsContact N-SG 3.44Å; C514-C525 VanDerWaalsContact SG-CA 3.5Å; C514-C525 WeakPolarHBondContact SG-CB 3.43Å; C514-C525 PolarHBondContact SG-N 3.02Å; C514-C525 VanDerWaalsContact SG-N 3.37Å; C514-C525 CovalentContact SG-SG 2.01Å; C514-C525 PolarHBondContact SG-SG 3.3Å; C525-A527 PolarHBondContact O-N 2.86Å | ||
| 526 | G | 55.3 | Low | 55.7 | Low | 32 Ų | 32 | 85 Ų | 85 | 33% | 0.33 | 55% | 0.547 | S | S | . | . | trans | -38.7 | 113.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | R483 S524 V528 | R483-G526 PolarHBondContact NH2-O 3.14Å; S524-G526 PolarHBondContact O-N 3.04Å; S524-G526 VanDerWaalsContact O-N 3.1Å; G526-V528 PolarHBondContact O-N 3.45Å | ||
| 527 | A | 45.5 | Very low | 55.3 | Low | 90 Ų | 90 | 88.8 Ų | 88.8 | 74% | 0.744 | 57% | 0.569 | S | S | * | * | trans | -53 | 116.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | C525 A529 | C525-A527 PolarHBondContact O-N 2.86Å; A527-A529 PolarHBondContact O-N 3.09Å | ||
| 528 | V | 45.4 | Very low | 55.3 | Low | 123 Ų | 123 | 88.9 Ų | 88.9 | 75% | 0.745 | 58% | 0.58 | S | S | * | * | trans | -68.4 | 84.4 | 146 | -173.5 | 0 | 0 | 0 | 0 | 102.6 | G526 Y530 | G526-V528 PolarHBondContact O-N 3.45Å; V528-Y530 VanDerWaalsContact C-N 3.32Å; V528-Y530 PolarHBondContact O-N 3Å | ||
| 529 | A | 34.6 | Very low | 55.4 | Low | 59 Ų | 59 | 84.7 Ų | 84.7 | 49% | 0.488 | 55% | 0.552 | S | S | . | * | trans | -47.1 | 116.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 103.2 | A527 T531 | A527-A529 PolarHBondContact O-N 3.09Å; A529-T531 HydrophobicContact CB-CG2 4.16Å; A529-T531 PolarHBondContact O-N 2.81Å | ||
| 530 | Y | 38.9 | Very low | 55.7 | Low | 220 Ų | 220 | 83.5 Ų | 83.5 | 86% | 0.863 | 55% | 0.545 | S | S | * | . | trans | -57.9 | 86.5 | 147.7 | -75 | -89.3 | 0 | 0 | 0 | 103.9 | V528 A532 | V528-Y530 VanDerWaalsContact C-N 3.32Å; V528-Y530 PolarHBondContact O-N 3Å; Y530-A532 PolarHBondContact O-N 2.82Å | ||
| 531 | T | 41.1 | Very low | 56.3 | Low | 119 Ų | 119 | 88 Ų | 88 | 73% | 0.73 | 56% | 0.563 | S | S | * | * | trans | -65.1 | 84.3 | 151.3 | 46.3 | 0 | 0 | 0 | 0 | 102.5 | A529 T533 | A529-T531 HydrophobicContact CB-CG2 4.16Å; A529-T531 PolarHBondContact O-N 2.81Å; T531-T533 VanDerWaalsContact C-N 3.31Å; T531-T533 PolarHBondContact O-N 2.85Å | ||
| 532 | A | 41.1 | Very low | 56.8 | Low | 77 Ų | 77 | 86.4 Ų | 86.4 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | trans | -42.6 | 113.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 103.8 | Y530 G534 | Y530-A532 PolarHBondContact O-N 2.82Å; A532-G534 PolarHBondContact O-N 3.03Å; A532-G534 VanDerWaalsContact O-N 3.09Å | ||
| 533 | T | 50.3 | Low | 57.5 | Low | 125 Ų | 125 | 89.3 Ų | 89.3 | 77% | 0.767 | 57% | 0.57 | S | S | * | * | trans | -34 | 121 | 176.8 | 42.5 | 0 | 0 | 0 | 0 | 108 | T531 L535 | T531-T533 VanDerWaalsContact C-N 3.31Å; T531-T533 PolarHBondContact O-N 2.85Å; T533-L535 PolarHBondContact O-N 2.94Å | ||
| 534 | G | 53.5 | Low | 58.5 | Low | 75 Ų | 75 | 88.1 Ų | 88.1 | 77% | 0.773 | 56% | 0.564 | S | S | * | * | trans | -37.9 | 111.5 | -171 | 0 | 0 | 0 | 0 | 0 | 110.4 | A532 S536 | A532-G534 PolarHBondContact O-N 3.03Å; A532-G534 VanDerWaalsContact O-N 3.09Å; G534-S536 VanDerWaalsContact C-N 3.34Å; G534-S536 PolarHBondContact O-N 2.8Å | ||
| 535 | L | 54.2 | Low | 59.6 | Low | 85 Ų | 85 | 85.8 Ų | 85.8 | 45% | 0.445 | 55% | 0.553 | S | S | . | * | trans | -58.4 | 110.9 | 164.2 | -114.2 | 79.3 | 0 | 0 | 0 | 104.7 | T533 T537 A539 I543 | T533-L535 PolarHBondContact O-N 2.94Å; L535-T537 PolarHBondContact O-N 2.84Å; L535-A539 HydrophobicContact CB-CB 3.95Å; L535-A539 HydrophobicContact CD2-CB 3.52Å; L535-A539 HydrophobicContact CG-CB 3.44Å; L535-A539 VanDerWaalsContact CG-CB 3.44Å; L535-I543 HydrophobicContact CD2-CD1 3.25Å; L535-I543 HydrophobicContact CD2-CG1 4.19Å | ||
| 536 | S | 66.1 | Low | 60.6 | Low | 79 Ų | 79 | 88 Ų | 88 | 55% | 0.552 | 57% | 0.567 | S | S | * | * | trans | -40.9 | 144.3 | 170.3 | 166.7 | 0 | 0 | 0 | 0 | 108.4 | G534 G538 A539 L540 | G534-S536 VanDerWaalsContact C-N 3.34Å; G534-S536 PolarHBondContact O-N 2.8Å; S536-G538 CarbonylContact O-C 3.59Å; S536-G538 PolarHBondContact O-N 3.34Å; S536-G538 PolarHBondContact OG-N 3.41Å; S536-A539 WeakPolarHBondContact O-CA 3.49Å; S536-A539 WeakPolarHBondContact O-CB 3.37Å; S536-A539 PolarHBondContact O-N 3.2Å; S536-L540 PolarHBondContact O-N 2.82Å; S536-L540 VanDerWaalsContact O-N 3.11Å | ||
| 537 | T | 65.5 | Low | 62 | Low | 116 Ų | 116 | 90.6 Ų | 90.6 | 71% | 0.712 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -48.3 | -28.5 | 173.2 | 46.1 | 0 | 0 | 0 | 0 | 111.6 | L535 L541 | L535-T537 PolarHBondContact O-N 2.84Å; T537-L541 WeakPolarHBondContact O-CB 3.23Å; T537-L541 VanDerWaalsContact O-CG 3.23Å; T537-L541 WeakPolarHBondContact O-CG 3.39Å; T537-L541 PolarHBondContact O-N 2.92Å |
| 538 | G | 69 | Low | 63.9 | Low | 42 Ų | 42 | 90.7 Ų | 90.7 | 43% | 0.433 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -36.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S536 A542 | S536-G538 CarbonylContact O-C 3.59Å; S536-G538 PolarHBondContact O-N 3.34Å; S536-G538 PolarHBondContact OG-N 3.41Å; G538-A542 VanDerWaalsContact O-CB 3.29Å; G538-A542 WeakPolarHBondContact O-CB 3.21Å; G538-A542 PolarHBondContact O-N 2.86Å |
| 539 | A | 65.6 | Low | 65.7 | Low | 32 Ų | 32 | 88.9 Ų | 88.9 | 26% | 0.264 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -77.6 | -32.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L535 S536 A542 I543 | L535-A539 HydrophobicContact CB-CB 3.95Å; L535-A539 HydrophobicContact CD2-CB 3.52Å; L535-A539 HydrophobicContact CG-CB 3.44Å; L535-A539 VanDerWaalsContact CG-CB 3.44Å; S536-A539 WeakPolarHBondContact O-CA 3.49Å; S536-A539 WeakPolarHBondContact O-CB 3.37Å; S536-A539 PolarHBondContact O-N 3.2Å; A539-A542 PolarHBondContact O-N 2.97Å; A539-I543 WeakPolarHBondContact O-CG1 3.41Å; A539-I543 PolarHBondContact O-N 2.94Å |
| 540 | L | 69.3 | Low | 68.1 | Low | 111 Ų | 111 | 91.2 Ų | 91.2 | 58% | 0.581 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.3 | -41.9 | 169.4 | -105.2 | 155.9 | 0 | 0 | 0 | 111.4 | S536 A542 I543 L544 | S536-L540 PolarHBondContact O-N 2.82Å; S536-L540 VanDerWaalsContact O-N 3.11Å; L540-A542 VanDerWaalsContact C-N 3.33Å; L540-I543 PolarHBondContact O-N 3.2Å; L540-L544 VanDerWaalsContact O-CB 3.26Å; L540-L544 WeakPolarHBondContact O-CB 2.77Å; L540-L544 PolarHBondContact O-N 2.88Å |
| 541 | L | 74.6 | Confident | 70.3 | Confident | 120 Ų | 120 | 85.8 Ų | 85.8 | 63% | 0.628 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.6 | -33.3 | 172.1 | -72.1 | 170.3 | 0 | 0 | 0 | 112.5 | T537 G545 | T537-L541 WeakPolarHBondContact O-CB 3.23Å; T537-L541 VanDerWaalsContact O-CG 3.23Å; T537-L541 WeakPolarHBondContact O-CG 3.39Å; T537-L541 PolarHBondContact O-N 2.92Å; L541-G545 PolarHBondContact O-N 2.99Å |
| 542 | A | 74.7 | Confident | 72.5 | Confident | 54 Ų | 54 | 83.8 Ų | 83.8 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G538 A539 L540 G545 C546 | G538-A542 VanDerWaalsContact O-CB 3.29Å; G538-A542 WeakPolarHBondContact O-CB 3.21Å; G538-A542 PolarHBondContact O-N 2.86Å; A539-A542 PolarHBondContact O-N 2.97Å; L540-A542 VanDerWaalsContact C-N 3.33Å; A542-G545 CarbonylContact O-C 3.54Å; A542-G545 PolarHBondContact O-N 2.92Å; A542-C546 WeakPolarHBondContact O-CB 2.81Å; A542-C546 PolarHBondContact O-N 3.27Å; A542-C546 PolarHBondContact O-SG 3.2Å; A542-C546 VanDerWaalsContact O-SG 3.39Å |
| 543 | I | 78.8 | Confident | 74.4 | Confident | 84 Ų | 84 | 85.6 Ų | 85.6 | 43% | 0.431 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 174 | -69.1 | 177.9 | 0 | 0 | 0 | 110.3 | L535 A539 L540 G545 C546 I547 | L535-I543 HydrophobicContact CD2-CD1 3.25Å; L535-I543 HydrophobicContact CD2-CG1 4.19Å; A539-I543 WeakPolarHBondContact O-CG1 3.41Å; A539-I543 PolarHBondContact O-N 2.94Å; L540-I543 PolarHBondContact O-N 3.2Å; I543-G545 VanDerWaalsContact C-N 3.28Å; I543-G545 PolarHBondContact O-N 3.18Å; I543-C546 CarbonylContact O-C 3.59Å; I543-C546 PolarHBondContact O-N 3.16Å; I543-C546 VanDerWaalsContact O-N 3.15Å; I543-I547 HydrophobicContact CG2-CD1 3.72Å; I543-I547 HydrophobicContact CG2-CG1 4.3Å; I543-I547 WeakPolarHBondContact O-CB 3.27Å; I543-I547 VanDerWaalsContact O-CG1 3.29Å; I543-I547 WeakPolarHBondContact O-CG1 3.46Å; I543-I547 PolarHBondContact O-N 2.84Å |
| 544 | L | 81.2 | Confident | 76 | Confident | 97 Ų | 97 | 83.3 Ų | 83.3 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 174.8 | -158.8 | 82.7 | 0 | 0 | 0 | 110.6 | L540 I547 I548 | L540-L544 VanDerWaalsContact O-CB 3.26Å; L540-L544 WeakPolarHBondContact O-CB 2.77Å; L540-L544 PolarHBondContact O-N 2.88Å; L544-I547 PolarHBondContact O-N 3.09Å; L544-I548 HydrophobicContact CD2-CD1 4.31Å; L544-I548 HydrophobicContact CG-CD1 4.1Å; L544-I548 WeakPolarHBondContact O-CB 3.19Å; L544-I548 WeakPolarHBondContact O-CD1 3.35Å; L544-I548 WeakPolarHBondContact O-CG1 3.26Å; L544-I548 PolarHBondContact O-N 3.34Å |
| 545 | G | 83.6 | Confident | 77.2 | Confident | 31 Ų | 31 | 84.8 Ų | 84.8 | 32% | 0.32 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L541 A542 I543 I548 T549 | L541-G545 PolarHBondContact O-N 2.99Å; A542-G545 CarbonylContact O-C 3.54Å; A542-G545 PolarHBondContact O-N 2.92Å; I543-G545 VanDerWaalsContact C-N 3.28Å; I543-G545 PolarHBondContact O-N 3.18Å; G545-I548 PolarHBondContact O-N 2.74Å; G545-T549 VanDerWaalsContact O-CB 3.32Å; G545-T549 WeakPolarHBondContact O-CB 3.21Å; G545-T549 WeakPolarHBondContact O-CG2 3.38Å; G545-T549 PolarHBondContact O-N 2.63Å; G545-T549 PolarHBondContact O-OG1 2.84Å |
| 546 | C | 84.2 | Confident | 78.3 | Confident | 76 Ų | 76 | 85 Ų | 85 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 174.9 | -81 | 0 | 0 | 0 | 0 | 112 | A542 I543 T549 L550 | A542-C546 WeakPolarHBondContact O-CB 2.81Å; A542-C546 PolarHBondContact O-N 3.27Å; A542-C546 PolarHBondContact O-SG 3.2Å; A542-C546 VanDerWaalsContact O-SG 3.39Å; I543-C546 CarbonylContact O-C 3.59Å; I543-C546 PolarHBondContact O-N 3.16Å; I543-C546 VanDerWaalsContact O-N 3.15Å; C546-T549 VanDerWaalsContact CA-OG1 3.24Å; C546-T549 WeakPolarHBondContact CA-OG1 3.3Å; C546-T549 PolarHBondContact O-N 2.87Å; C546-T549 PolarHBondContact O-OG1 3.13Å; C546-L550 VanDerWaalsContact O-CB 3.3Å; C546-L550 WeakPolarHBondContact O-CB 3.49Å; C546-L550 PolarHBondContact O-N 2.92Å |
| 547 | I | 85.7 | Confident | 78.7 | Confident | 87 Ų | 87 | 85.5 Ų | 85.5 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.9 | -43.3 | 177.5 | -68.2 | 168.4 | 0 | 0 | 0 | 110.3 | I543 L544 L550 L551 | I543-I547 HydrophobicContact CG2-CD1 3.72Å; I543-I547 HydrophobicContact CG2-CG1 4.3Å; I543-I547 WeakPolarHBondContact O-CB 3.27Å; I543-I547 VanDerWaalsContact O-CG1 3.29Å; I543-I547 WeakPolarHBondContact O-CG1 3.46Å; I543-I547 PolarHBondContact O-N 2.84Å; L544-I547 PolarHBondContact O-N 3.09Å; I547-L550 PolarHBondContact O-N 2.84Å; I547-L551 HydrophobicContact CG2-CD1 4.11Å; I547-L551 WeakPolarHBondContact O-CB 3.26Å; I547-L551 PolarHBondContact O-N 3.14Å |
| 548 | I | 84.7 | Confident | 79 | Confident | 92 Ų | 92 | 83.4 Ų | 83.4 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 175.9 | -69.3 | 167 | 0 | 0 | 0 | 110.5 | L544 G545 L551 V552 | L544-I548 HydrophobicContact CD2-CD1 4.31Å; L544-I548 HydrophobicContact CG-CD1 4.1Å; L544-I548 WeakPolarHBondContact O-CB 3.19Å; L544-I548 WeakPolarHBondContact O-CD1 3.35Å; L544-I548 WeakPolarHBondContact O-CG1 3.26Å; L544-I548 PolarHBondContact O-N 3.34Å; G545-I548 PolarHBondContact O-N 2.74Å; I548-L551 PolarHBondContact O-N 2.95Å; I548-V552 HydrophobicContact CG2-CG2 4.42Å; I548-V552 WeakPolarHBondContact O-CB 3.38Å; I548-V552 WeakPolarHBondContact O-CG2 3.26Å; I548-V552 PolarHBondContact O-N 2.81Å |
| 549 | T | 82.3 | Confident | 78.8 | Confident | 86 Ų | 86 | 83.9 Ų | 83.9 | 53% | 0.528 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.7 | -34.5 | 176.4 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | G545 C546 V552 M553 | G545-T549 VanDerWaalsContact O-CB 3.32Å; G545-T549 WeakPolarHBondContact O-CB 3.21Å; G545-T549 WeakPolarHBondContact O-CG2 3.38Å; G545-T549 PolarHBondContact O-N 2.63Å; G545-T549 PolarHBondContact O-OG1 2.84Å; C546-T549 VanDerWaalsContact CA-OG1 3.24Å; C546-T549 WeakPolarHBondContact CA-OG1 3.3Å; C546-T549 PolarHBondContact O-N 2.87Å; C546-T549 PolarHBondContact O-OG1 3.13Å; T549-V552 PolarHBondContact O-N 3.45Å; T549-M553 VanDerWaalsContact O-CB 3.3Å; T549-M553 WeakPolarHBondContact O-CB 3.26Å; T549-M553 PolarHBondContact O-N 2.91Å |
| 550 | L | 86.1 | Confident | 78.7 | Confident | 108 Ų | 108 | 86.6 Ų | 86.6 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.3 | -43.1 | 170.3 | -103.7 | 160.6 | 0 | 0 | 0 | 111.8 | C546 I547 V552 M553 V554 | C546-L550 VanDerWaalsContact O-CB 3.3Å; C546-L550 WeakPolarHBondContact O-CB 3.49Å; C546-L550 PolarHBondContact O-N 2.92Å; I547-L550 PolarHBondContact O-N 2.84Å; L550-V552 VanDerWaalsContact C-N 3.35Å; L550-M553 CarbonylContact O-C 3.56Å; L550-M553 PolarHBondContact O-N 3.07Å; L550-V554 WeakPolarHBondContact O-CB 3.32Å; L550-V554 VanDerWaalsContact O-CG2 3.27Å; L550-V554 WeakPolarHBondContact O-CG2 3.26Å; L550-V554 PolarHBondContact O-N 2.99Å |
| 551 | L | 85 | Confident | 78.1 | Confident | 105 Ų | 105 | 91.1 Ų | 91.1 | 55% | 0.55 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 175 | -97.5 | 157 | 0 | 0 | 0 | 111.4 | I547 I548 V554 L555 | I547-L551 HydrophobicContact CG2-CD1 4.11Å; I547-L551 WeakPolarHBondContact O-CB 3.26Å; I547-L551 PolarHBondContact O-N 3.14Å; I548-L551 PolarHBondContact O-N 2.95Å; L551-V554 PolarHBondContact O-N 2.81Å; L551-L555 VanDerWaalsContact O-CB 3.31Å; L551-L555 WeakPolarHBondContact O-CB 3.42Å; L551-L555 PolarHBondContact O-N 2.92Å |
| 552 | V | 86.4 | Confident | 77.1 | Confident | 77 Ų | 77 | 95.6 Ų | 95.6 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -36.4 | 173.4 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | I548 T549 L550 L556 | I548-V552 HydrophobicContact CG2-CG2 4.42Å; I548-V552 WeakPolarHBondContact O-CB 3.38Å; I548-V552 WeakPolarHBondContact O-CG2 3.26Å; I548-V552 PolarHBondContact O-N 2.81Å; T549-V552 PolarHBondContact O-N 3.45Å; L550-V552 VanDerWaalsContact C-N 3.35Å; V552-L556 HydrophobicContact CG1-CD1 3.92Å; V552-L556 HydrophobicContact CG1-CG 4.49Å; V552-L556 WeakPolarHBondContact O-CB 3.49Å; V552-L556 WeakPolarHBondContact O-CG 3.41Å; V552-L556 PolarHBondContact O-N 3.35Å |
| 553 | M | 82.3 | Confident | 75.9 | Confident | 116 Ų | 116 | 103.2 Ų | 103.2 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.3 | -40.4 | 172.9 | -105.3 | -118.4 | -102.3 | 0 | 0 | 111.9 | T549 L550 L556 I557 | T549-M553 VanDerWaalsContact O-CB 3.3Å; T549-M553 WeakPolarHBondContact O-CB 3.26Å; T549-M553 PolarHBondContact O-N 2.91Å; L550-M553 CarbonylContact O-C 3.56Å; L550-M553 PolarHBondContact O-N 3.07Å; M553-L556 CarbonylContact O-C 3.56Å; M553-L556 PolarHBondContact O-N 2.84Å; M553-I557 VanDerWaalsContact O-CB 3.31Å; M553-I557 WeakPolarHBondContact O-CB 3.47Å; M553-I557 WeakPolarHBondContact O-CD1 3.41Å; M553-I557 WeakPolarHBondContact O-CG1 3.42Å; M553-I557 PolarHBondContact O-N 3.42Å; M553-I557 HydrophobicContact SD-CD1 4.45Å |
| 554 | V | 83.6 | Confident | 74.2 | Confident | 76 Ų | 76 | 108.8 Ų | 108.8 | 46% | 0.461 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | L550 L551 L556 I557 V558 | L550-V554 WeakPolarHBondContact O-CB 3.32Å; L550-V554 VanDerWaalsContact O-CG2 3.27Å; L550-V554 WeakPolarHBondContact O-CG2 3.26Å; L550-V554 PolarHBondContact O-N 2.99Å; L551-V554 PolarHBondContact O-N 2.81Å; V554-L556 VanDerWaalsContact C-N 3.33Å; V554-L556 PolarHBondContact O-N 3.04Å; V554-I557 PolarHBondContact O-N 2.86Å; V554-V558 HydrophobicContact CG1-CG2 4.37Å; V554-V558 WeakPolarHBondContact O-CB 3.36Å; V554-V558 WeakPolarHBondContact O-CG2 3.07Å; V554-V558 PolarHBondContact O-N 2.85Å |
| 555 | L | 78.2 | Confident | 72.3 | Confident | 107 Ų | 107 | 112.6 Ų | 112.6 | 56% | 0.56 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.8 | -37.8 | 171.1 | -106.7 | 147.3 | 0 | 0 | 0 | 111.8 | L551 T559 | L551-L555 VanDerWaalsContact O-CB 3.31Å; L551-L555 WeakPolarHBondContact O-CB 3.42Å; L551-L555 PolarHBondContact O-N 2.92Å; L555-T559 HydrophobicContact CD2-CG2 4.47Å; L555-T559 VanDerWaalsContact O-CB 3.23Å; L555-T559 WeakPolarHBondContact O-CB 3.43Å; L555-T559 WeakPolarHBondContact O-CG2 3.44Å; L555-T559 PolarHBondContact O-N 3.45Å; L555-T559 PolarHBondContact O-OG1 3.41Å |
| 556 | L | 76.6 | Confident | 70.2 | Confident | 89 Ų | 89 | 119.9 Ų | 119.9 | 47% | 0.466 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.4 | -37.7 | 173 | -86.6 | 164.8 | 0 | 0 | 0 | 111.6 | V552 M553 V554 T559 M560 | V552-L556 HydrophobicContact CG1-CD1 3.92Å; V552-L556 HydrophobicContact CG1-CG 4.49Å; V552-L556 WeakPolarHBondContact O-CB 3.49Å; V552-L556 WeakPolarHBondContact O-CG 3.41Å; V552-L556 PolarHBondContact O-N 3.35Å; M553-L556 CarbonylContact O-C 3.56Å; M553-L556 PolarHBondContact O-N 2.84Å; V554-L556 VanDerWaalsContact C-N 3.33Å; V554-L556 PolarHBondContact O-N 3.04Å; L556-T559 VanDerWaalsContact CA-OG1 3.31Å; L556-T559 WeakPolarHBondContact CA-OG1 3.33Å; L556-T559 PolarHBondContact O-OG1 2.78Å; L556-M560 WeakPolarHBondContact O-CA 3.25Å; L556-M560 WeakPolarHBondContact O-CB 3.35Å; L556-M560 WeakPolarHBondContact O-CG 3.44Å; L556-M560 PolarHBondContact O-N 3.23Å |
| 557 | I | 76.5 | Confident | 68.1 | Low | 90 Ų | 90 | 121.3 Ų | 121.3 | 46% | 0.462 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.4 | -37.9 | 176.3 | -72 | 161.8 | 0 | 0 | 0 | 110.1 | M553 V554 R561 | M553-I557 VanDerWaalsContact O-CB 3.31Å; M553-I557 WeakPolarHBondContact O-CB 3.47Å; M553-I557 WeakPolarHBondContact O-CD1 3.41Å; M553-I557 WeakPolarHBondContact O-CG1 3.42Å; M553-I557 PolarHBondContact O-N 3.42Å; M553-I557 HydrophobicContact SD-CD1 4.45Å; V554-I557 PolarHBondContact O-N 2.86Å; I557-R561 WeakPolarHBondContact O-CB 3.36Å; I557-R561 WeakPolarHBondContact O-CG 3.38Å; I557-R561 PolarHBondContact O-N 2.95Å |
| 558 | V | 70.8 | Confident | 65.6 | Low | 72 Ų | 72 | 125.1 Ų | 125.1 | 44% | 0.436 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.2 | -42.8 | 175.4 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | V554 R561 R562 | V554-V558 HydrophobicContact CG1-CG2 4.37Å; V554-V558 WeakPolarHBondContact O-CB 3.36Å; V554-V558 WeakPolarHBondContact O-CG2 3.07Å; V554-V558 PolarHBondContact O-N 2.85Å; V558-R561 PolarHBondContact O-N 3.01Å; V558-R562 WeakPolarHBondContact O-CB 3.49Å; V558-R562 PolarHBondContact O-N 3.36Å |
| 559 | T | 64.8 | Low | 63.1 | Low | 51 Ų | 51 | 127.4 Ų | 127.4 | 31% | 0.313 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -74.5 | -29.6 | 175.9 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | L555 L556 R562 R563 | L555-T559 HydrophobicContact CD2-CG2 4.47Å; L555-T559 VanDerWaalsContact O-CB 3.23Å; L555-T559 WeakPolarHBondContact O-CB 3.43Å; L555-T559 WeakPolarHBondContact O-CG2 3.44Å; L555-T559 PolarHBondContact O-N 3.45Å; L555-T559 PolarHBondContact O-OG1 3.41Å; L556-T559 VanDerWaalsContact CA-OG1 3.31Å; L556-T559 WeakPolarHBondContact CA-OG1 3.33Å; L556-T559 PolarHBondContact O-OG1 2.78Å; T559-R562 CarbonylContact O-C 3.57Å; T559-R562 PolarHBondContact O-N 3.3Å; T559-R563 WeakPolarHBondContact O-CA 3.12Å; T559-R563 WeakPolarHBondContact O-CB 3.21Å; T559-R563 WeakPolarHBondContact O-CG 3.4Å; T559-R563 PolarHBondContact O-N 3.36Å |
| 560 | M | 62.5 | Low | 60.6 | Low | 89 Ų | 89 | 131.4 Ų | 131.4 | 44% | 0.438 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -77.8 | -29.7 | 170.2 | -73.2 | -175 | 73.2 | 0 | 0 | 111.7 | L556 R562 R563 R564 | L556-M560 WeakPolarHBondContact O-CA 3.25Å; L556-M560 WeakPolarHBondContact O-CB 3.35Å; L556-M560 WeakPolarHBondContact O-CG 3.44Å; L556-M560 PolarHBondContact O-N 3.23Å; M560-R562 VanDerWaalsContact C-N 3.31Å; M560-R563 PolarHBondContact O-N 3.03Å; M560-R564 WeakPolarHBondContact O-CA 3.49Å; M560-R564 WeakPolarHBondContact O-CB 3.21Å; M560-R564 VanDerWaalsContact O-CG 3.31Å; M560-R564 WeakPolarHBondContact O-CG 3.43Å; M560-R564 PolarHBondContact O-N 3.35Å |
| 561 | R | 57.3 | Low | 58 | Low | 207 Ų | 207 | 134.8 Ų | 134.8 | 78% | 0.781 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.4 | -33.9 | 165.5 | -90.3 | -174.1 | 166.5 | -176.7 | -3.2 | 111.1 | I557 V558 | I557-R561 WeakPolarHBondContact O-CB 3.36Å; I557-R561 WeakPolarHBondContact O-CG 3.38Å; I557-R561 PolarHBondContact O-N 2.95Å; V558-R561 PolarHBondContact O-N 3.01Å |
| 562 | R | 54.5 | Low | 56 | Low | 213 Ų | 213 | 138.3 Ų | 138.3 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -78.8 | -26.1 | 172.3 | -80.2 | -175.4 | 171.1 | -170.3 | -2.3 | 114.1 | V558 T559 M560 | V558-R562 WeakPolarHBondContact O-CB 3.49Å; V558-R562 PolarHBondContact O-N 3.36Å; T559-R562 CarbonylContact O-C 3.57Å; T559-R562 PolarHBondContact O-N 3.3Å; M560-R562 VanDerWaalsContact C-N 3.31Å |
| 563 | R | 49.5 | Very low | 54 | Low | 215 Ų | 215 | 143.4 Ų | 143.4 | 81% | 0.811 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -103.8 | -11.1 | -178.8 | -70.3 | -177.2 | 179.6 | -164.1 | 1.2 | 114.5 | T559 M560 K565 | T559-R563 WeakPolarHBondContact O-CA 3.12Å; T559-R563 WeakPolarHBondContact O-CB 3.21Å; T559-R563 WeakPolarHBondContact O-CG 3.4Å; T559-R563 PolarHBondContact O-N 3.36Å; M560-R563 PolarHBondContact O-N 3.03Å; R563-K565 PolarHBondContact O-N 2.96Å |
| 564 | R | 43.2 | Very low | 51.7 | Low | 201 Ų | 201 | 149.5 Ų | 149.5 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -86 | 41.2 | 162.2 | -73.5 | -171 | 175.7 | -178 | 0.8 | 111.2 | M560 | M560-R564 WeakPolarHBondContact O-CA 3.49Å; M560-R564 WeakPolarHBondContact O-CB 3.21Å; M560-R564 VanDerWaalsContact O-CG 3.31Å; M560-R564 WeakPolarHBondContact O-CG 3.43Å; M560-R564 PolarHBondContact O-N 3.35Å |
| 565 | K | 40.8 | Very low | 49.6 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | trans | -126.2 | 93.6 | 151.9 | -76.4 | -166.8 | 177.1 | -173 | 0 | 106.5 | R563 | R563-K565 PolarHBondContact O-N 2.96Š| ||
| 566 | Q | 39.1 | Very low | 47.5 | Very low | 184 Ų | 184 | 154.2 Ų | 154.2 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | trans | 173.7 | 150.5 | 148.9 | -95.9 | 163.8 | 18.2 | 0 | 0 | 108.2 | ||||
| 567 | P | 40.6 | Very low | 45.7 | Very low | 105 Ų | 105 | 159.9 Ų | 159.9 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | cis | -128.1 | 140.4 | -17.7 | 35.4 | -18.9 | 0 | 0 | 0 | 111.2 | ||||
| 568 | L | 32.5 | Very low | 43.8 | Very low | 167 Ų | 167 | 164.3 Ų | 164.3 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -128.9 | 95.7 | 161.2 | -77.5 | 157.2 | 0 | 0 | 0 | 103 | ||||
| 569 | I | 32.4 | Very low | 42 | Very low | 141 Ų | 141 | 168.1 Ų | 168.1 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | 35.8 | 95.9 | 96.2 | -55.6 | 178 | 0 | 0 | 0 | 108 | E571 | I569-E571 VanDerWaalsContact C-N 3.33Å; I569-E571 PolarHBondContact O-N 3.3Å | |||
| 570 | L | 29.3 | Very low | 40.7 | Very low | 169 Ų | 169 | 173 Ų | 173 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -57.9 | 103 | 163.1 | -81.2 | 85.2 | 0 | 0 | 0 | 106.5 | ||||
| 571 | E | 31.9 | Very low | 39.5 | Very low | 180 Ų | 180 | 173.9 Ų | 173.9 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -86.1 | 126.9 | 141.1 | -82 | -177.5 | 164.2 | 0 | 0 | 106 | I569 | I569-E571 VanDerWaalsContact C-N 3.33Å; I569-E571 PolarHBondContact O-N 3.3Å | ||
| 572 | E | 43.2 | Very low | 38.5 | Very low | 179 Ų | 179 | 172.6 Ų | 172.6 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -51.5 | 152.1 | 171.9 | -72.5 | 165.5 | 143.8 | 0 | 0 | 110.3 | ||
| 573 | E | 45.4 | Very low | 37.7 | Very low | 183 Ų | 183 | 171.8 Ų | 171.8 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | 77.2 | 89.7 | 174.5 | -53.2 | 179.5 | 157.7 | 0 | 0 | 116.1 | ||||
| 574 | R | 33.7 | Very low | 37.1 | Very low | 245 Ų | 245 | 167.5 Ų | 167.5 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -160 | 100.9 | 134.3 | -109.3 | 178.5 | -70.3 | -162.7 | 2.2 | 112.1 | ||||
| 575 | D | 38.3 | Very low | 36.9 | Very low | 125 Ų | 125 | 164 Ų | 164 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | trans | 33.9 | 107 | 145.6 | -126.3 | -17.5 | 0 | 0 | 0 | 119.1 | R577 | D575-R577 VanDerWaalsContact C-N 3.3Å; D575-R577 PolarHBondContact O-N 2.92Å; D575-R577 WeakPolarHBondContact OD1-CD 3.4Å; D575-R577 WeakPolarHBondContact OD1-CG 3.4Å; D575-R577 IonicContact OD1-NE 3.48Å; D575-R577 PolarHBondContact OD1-NE 3.08Å | ||
| 576 | I | 35 | Very low | 37 | Very low | 157 Ų | 157 | 164.2 Ų | 164.2 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -90.9 | 29.4 | -178.7 | -17 | 171.6 | 0 | 0 | 0 | 112.5 | E578 | I576-E578 PolarHBondContact O-N 3.37Š| ||
| 577 | R | 37.5 | Very low | 36.8 | Very low | 207 Ų | 207 | 158.1 Ų | 158.1 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -1.2 | -170.7 | -71.6 | -177.4 | -168.4 | -123 | 1.4 | 116.1 | D575 | D575-R577 VanDerWaalsContact C-N 3.3Å; D575-R577 PolarHBondContact O-N 2.92Å; D575-R577 WeakPolarHBondContact OD1-CD 3.4Å; D575-R577 WeakPolarHBondContact OD1-CG 3.4Å; D575-R577 IonicContact OD1-NE 3.48Å; D575-R577 PolarHBondContact OD1-NE 3.08Å |
| 578 | E | 36.6 | Very low | 37.2 | Very low | 184 Ų | 184 | 157.4 Ų | 157.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 9.3 | -173.2 | -74.7 | -163.6 | 164.9 | 0 | 0 | 116.8 | I576 | I576-E578 PolarHBondContact O-N 3.37Š|
| 579 | N | 34.4 | Very low | 37.2 | Very low | 152 Ų | 152 | 152.5 Ų | 152.5 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -109.1 | 35.9 | 175.6 | -85.5 | 5 | 0 | 0 | 0 | 113.9 | ||||
| 580 | I | 37.2 | Very low | 37.7 | Very low | 153 Ų | 153 | 154.7 Ų | 154.7 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -108.7 | 93.8 | 164.5 | -58.4 | 174.4 | 0 | 0 | 0 | 106.6 | ||||
| 581 | V | 37.4 | Very low | 38.2 | Very low | 107 Ų | 107 | 155 Ų | 155 | 65% | 0.648 | 78% | 0.777 | S | S | * | * | trans | -89.4 | 129.8 | 167.6 | -178 | 0 | 0 | 0 | 0 | 106.8 | D585 | V581-D585 HydrophobicContact CG1-CB 4.05Š| ||
| 582 | R | 35.8 | Very low | 38.5 | Very low | 180 Ų | 180 | 154 Ų | 154 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | -73.4 | 144.6 | 179.5 | -73.2 | -175.3 | -175 | -136.3 | 0.6 | 109.4 | D584 D585 | R582-D584 PolarHBondContact O-N 3.42Å; R582-D585 PolarHBondContact O-N 3.39Å | ||
| 583 | Y | 37.8 | Very low | 38.4 | Very low | 196 Ų | 196 | 151.3 Ų | 151.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -55.7 | -17.4 | 177.1 | -165.3 | -102.1 | 0 | 0 | 0 | 113.4 | ||
| 584 | D | 37.8 | Very low | 38.2 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -79.1 | -19 | -179.4 | -43.9 | -39.8 | 0 | 0 | 0 | 113 | R582 | R582-D584 PolarHBondContact O-N 3.42Š|
| 585 | D | 38.1 | Very low | 38.5 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -86.1 | -11 | -173.8 | -73.8 | -28 | 0 | 0 | 0 | 113.9 | V581 R582 | V581-D585 HydrophobicContact CG1-CB 4.05Å; R582-D585 PolarHBondContact O-N 3.39Å |
| 586 | E | 42.1 | Very low | 38.5 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -104 | 11.4 | -179.9 | -110.8 | -176.6 | -165.5 | 0 | 0 | 114.8 | ||
| 587 | G | 35.3 | Very low | 38.8 | Very low | 57 Ų | 57 | 142.3 Ų | 142.3 | 59% | 0.588 | 75% | 0.746 | S | S | * | * | trans | 52.9 | 86.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G589 | G587-G589 PolarHBondContact O-N 3.09Š| ||
| 588 | G | 49.1 | Very low | 38.9 | Very low | 90 Ų | 90 | 139.5 Ų | 139.5 | 93% | 0.928 | 74% | 0.743 | S | S | * | * | trans | -29.1 | 104 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 589 | G | 33.6 | Very low | 39.2 | Very low | 64 Ų | 64 | 135.6 Ų | 135.6 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -112.4 | 112.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109.2 | G587 E591 | G587-G589 PolarHBondContact O-N 3.09Å; G589-E591 PolarHBondContact O-N 2.98Å | ||
| 590 | E | 42.1 | Very low | 39.6 | Very low | 187 Ų | 187 | 132.1 Ų | 132.1 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | trans | -70.5 | 43.2 | 168.8 | -63 | -176.9 | 151.9 | 0 | 0 | 112.3 | ||||
| 591 | E | 40.3 | Very low | 39.7 | Very low | 174 Ų | 174 | 128.6 Ų | 128.6 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | trans | -115.3 | 79.9 | 173.5 | -78.4 | -171.6 | 163.8 | 0 | 0 | 108.2 | G589 | G589-E591 PolarHBondContact O-N 2.98Š| ||
| 592 | D | 38.5 | Very low | 39.9 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | trans | 177.2 | 26.9 | 149.3 | -86 | -15.1 | 0 | 0 | 0 | 112.5 | E594 | D592-E594 VanDerWaalsContact C-N 3.25Å; D592-E594 PolarHBondContact O-N 3.08Å | ||
| 593 | T | 40.5 | Very low | 40.2 | Very low | 124 Ų | 124 | 130 Ų | 130 | 76% | 0.761 | 70% | 0.699 | S | S | * | * | trans | -88.6 | 44.5 | 174.2 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | A595 | T593-A595 PolarHBondContact O-N 2.83Š| ||
| 594 | E | 41.3 | Very low | 40.6 | Very low | 203 Ų | 203 | 127.4 Ų | 127.4 | 95% | 0.949 | 70% | 0.698 | S | S | * | * | trans | -88.7 | 22 | 164.4 | -74.9 | -157.5 | 173.6 | 0 | 0 | 112.8 | D592 | D592-E594 VanDerWaalsContact C-N 3.25Å; D592-E594 PolarHBondContact O-N 3.08Å | ||
| 595 | A | 40.8 | Very low | 40.8 | Very low | 57 Ų | 57 | 129.1 Ų | 129.1 | 47% | 0.471 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -118.8 | 119 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | T593 | T593-A595 PolarHBondContact O-N 2.83Š|
| 596 | F | 38.3 | Very low | 41.2 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 72% | 0.719 | 71% | 0.707 | S | S | * | * | trans | 90.3 | 85.9 | 164.8 | -44.7 | -69.6 | 0 | 0 | 0 | 117.3 | M598 L601 | F596-M598 PolarHBondContact O-N 3.41Å; F596-L601 HydrophobicContact CB-CD1 4.38Å | ||
| 597 | D | 39.5 | Very low | 41 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 51% | 0.513 | 70% | 0.7 | S | S | . | * | trans | -65.9 | 107.6 | 154.7 | 176.8 | 6.4 | 0 | 0 | 0 | 109.6 | V599 T600 | D597-V599 PolarHBondContact O-N 3.23Å; D597-V599 VanDerWaalsContact OD1-CB 3.28Å; D597-V599 WeakPolarHBondContact OD1-CB 3.41Å; D597-V599 WeakPolarHBondContact OD1-CG2 3.34Å; D597-V599 PolarHBondContact OD1-N 2.77Å; D597-T600 PolarHBondContact O-N 3.38Å; D597-T600 PolarHBondContact O-OG1 2.86Å | ||
| 598 | M | 40.7 | Very low | 41.3 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -59 | -15 | 179.3 | -68.7 | -166.7 | -70.2 | 0 | 0 | 114.1 | F596 | F596-M598 PolarHBondContact O-N 3.41Å |
| 599 | V | 42 | Very low | 40.5 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 61% | 0.612 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -74.4 | -31.9 | 176 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | D597 | D597-V599 PolarHBondContact O-N 3.23Å; D597-V599 VanDerWaalsContact OD1-CB 3.28Å; D597-V599 WeakPolarHBondContact OD1-CB 3.41Å; D597-V599 WeakPolarHBondContact OD1-CG2 3.34Å; D597-V599 PolarHBondContact OD1-N 2.77Å |
| 600 | T | 43 | Very low | 40.9 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 49% | 0.485 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -74.5 | -26.6 | 176.2 | 43 | 0 | 0 | 0 | 0 | 112.9 | D597 | D597-T600 PolarHBondContact O-N 3.38Å; D597-T600 PolarHBondContact O-OG1 2.86Å |
| 601 | L | 40.2 | Very low | 41 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 41% | 0.414 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -77 | -23.2 | 177.9 | -76.6 | 165.6 | 0 | 0 | 0 | 114.2 | F596 F643 | F596-L601 HydrophobicContact CB-CD1 4.38Å; L601-F643 HydrophobicContact CD2-CE2 4.48Å |
| 602 | R | 42.3 | Very low | 40.7 | Very low | 224 Ų | 224 | 133.1 Ų | 133.1 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -89.9 | -13.9 | 179.8 | -77 | -170.6 | 174.9 | -173.1 | 0.4 | 114.8 | ||
| 603 | N | 42.1 | Very low | 40.3 | Very low | 92 Ų | 92 | 137.5 Ų | 137.5 | 49% | 0.492 | 71% | 0.711 | S | S | . | * | trans | -133.4 | 60.2 | -174.5 | -83.2 | -34.1 | 0 | 0 | 0 | 113.1 | N605 | N603-N605 PolarHBondContact O-N 3Å; N603-N605 VanDerWaalsContact O-N 3.09Å | ||
| 604 | L | 44.3 | Very low | 40.5 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -11.8 | 175.9 | -91.1 | 148.6 | 0 | 0 | 0 | 114.7 | ||
| 605 | N | 43 | Very low | 40 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 0.5 | -175.9 | -76.7 | -31 | 0 | 0 | 0 | 115.6 | N603 | N603-N605 PolarHBondContact O-N 3Å; N603-N605 VanDerWaalsContact O-N 3.09Å |
| 606 | I | 45.7 | Very low | 39.6 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 68% | 0.677 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -122.1 | 24.1 | -171 | -54.3 | 170 | 0 | 0 | 0 | 114.1 | ||
| 607 | I | 38.1 | Very low | 39.3 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 70% | 0.703 | 73% | 0.733 | S | S | * | * | trans | -120.9 | 77.6 | 171.5 | -50 | 179.3 | 0 | 0 | 0 | 110 | ||||
| 608 | R | 42.4 | Very low | 39 | Very low | 251 Ų | 251 | 143.9 Ų | 143.9 | 95% | 0.947 | 75% | 0.745 | S | S | * | * | trans | -130.9 | 75.4 | 157.3 | -82.8 | -170.5 | 175.8 | -170.8 | -1.2 | 108.4 | ||||
| 609 | D | 32.7 | Very low | 38.5 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | -148.9 | 114.9 | 152.8 | -145.8 | -11.3 | 0 | 0 | 0 | 109.6 | A611 | D609-A611 VanDerWaalsContact C-N 3.27Å; D609-A611 PolarHBondContact O-N 2.98Å; D609-A611 VanDerWaalsContact O-N 3.09Å | ||
| 610 | P | 40.9 | Very low | 38 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -87.2 | 69.6 | -179 | 35.5 | -30.9 | 0 | 0 | 0 | 109.2 | ||||
| 611 | A | 43.6 | Very low | 37.6 | Very low | 78 Ų | 78 | 147 Ų | 147 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | trans | -150.8 | 119.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D609 | D609-A611 VanDerWaalsContact C-N 3.27Å; D609-A611 PolarHBondContact O-N 2.98Å; D609-A611 VanDerWaalsContact O-N 3.09Å | ||
| 612 | A | 35.6 | Very low | 37.1 | Very low | 99 Ų | 99 | 149.6 Ų | 149.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 76.7 | 98.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 613 | R | 28.9 | Very low | 36.6 | Very low | 250 Ų | 250 | 147.3 Ų | 147.3 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | -153.8 | 114.2 | 100.4 | -96.6 | 179.4 | -167 | -163.2 | 3.7 | 108.8 | |||||
| 614 | R | 44.3 | Very low | 35.9 | Very low | 236 Ų | 236 | 152.9 Ų | 152.9 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -82.8 | 121.8 | 159 | -78.4 | 176.3 | 172.2 | 177.4 | -3.4 | 104.9 | ||||
| 615 | D | 31.7 | Very low | 35.2 | Very low | 156 Ų | 156 | 154.6 Ų | 154.6 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | 175.3 | 92.8 | 143 | -83.4 | -17.1 | 0 | 0 | 0 | 106.8 | ||||
| 616 | V | 32.8 | Very low | 34.5 | Very low | 141 Ų | 141 | 156.9 Ų | 156.9 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | 169.7 | 115 | 145.6 | 170.7 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 617 | T | 31.7 | Very low | 33.6 | Very low | 129 Ų | 129 | 156.5 Ų | 156.5 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -82.4 | 122.9 | 172.3 | 40 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 618 | P | 32.5 | Very low | 33.4 | Very low | 117 Ų | 117 | 156.2 Ų | 156.2 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -88.6 | 114.8 | 164.9 | 22 | -9.5 | 0 | 0 | 0 | 109.6 | T620 | P618-T620 PolarHBondContact O-N 3.45Š| ||
| 619 | D | 30.5 | Very low | 32.9 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -74.1 | 97.1 | 161.6 | -84.7 | -30.5 | 0 | 0 | 0 | 108.6 | ||||
| 620 | T | 31.5 | Very low | 33.2 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 172.8 | 134.8 | 136.2 | 29.6 | 0 | 0 | 0 | 0 | 110.4 | P618 | P618-T620 PolarHBondContact O-N 3.45Š| ||
| 621 | P | 33.8 | Very low | 33 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -94.6 | 114.5 | -179 | 33.9 | -27.3 | 0 | 0 | 0 | 110.6 | ||||
| 622 | T | 29.8 | Very low | 32.6 | Very low | 132 Ų | 132 | 152 Ų | 152 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -118.1 | 103.7 | 162.1 | 39.9 | 0 | 0 | 0 | 0 | 110.1 | Y624 | T622-Y624 PolarHBondContact O-N 2.63Š| ||
| 623 | F | 32.4 | Very low | 32.8 | Very low | 176 Ų | 176 | 152 Ų | 152 | 77% | 0.772 | 80% | 0.801 | S | S | * | * | trans | -63.6 | 115.3 | 166.1 | -100.7 | -102.4 | 0 | 0 | 0 | 109.9 | ||||
| 624 | Y | 27.6 | Very low | 33.7 | Very low | 209 Ų | 209 | 145.2 Ų | 145.2 | 82% | 0.82 | 78% | 0.776 | S | S | * | * | trans | -146.3 | 112.6 | 142.3 | -78.3 | -70.2 | 0 | 0 | 0 | 109.9 | T622 | T622-Y624 PolarHBondContact O-N 2.63Š| ||
| 625 | Q | 29.7 | Very low | 33.7 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -72.3 | 124.2 | 161.3 | -81.5 | 170 | -52 | 0 | 0 | 108.3 | ||||
| 626 | Y | 28.1 | Very low | 34.4 | Very low | 209 Ų | 209 | 140.9 Ų | 140.9 | 82% | 0.82 | 77% | 0.77 | S | S | * | * | trans | -124.8 | 135.2 | 153.8 | -88.5 | -78.9 | 0 | 0 | 0 | 111.2 | ||||
| 627 | T | 27.5 | Very low | 35.2 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | -67.2 | 139.5 | -171.2 | 44.9 | 0 | 0 | 0 | 0 | 112.8 | A629 | T627-A629 PolarHBondContact O-N 3.46Å; T627-A629 VanDerWaalsContact O-N 3.16Å | ||
| 628 | S | 33.7 | Very low | 36.2 | Very low | 131 Ų | 131 | 136 Ų | 136 | 92% | 0.916 | 74% | 0.739 | S | S | * | * | trans | -55.1 | 106.5 | 168.6 | 24.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 629 | A | 31.2 | Very low | 36.9 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 72% | 0.719 | 74% | 0.739 | S | S | * | * | trans | -110.5 | 132 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | T627 R631 | T627-A629 PolarHBondContact O-N 3.46Å; T627-A629 VanDerWaalsContact O-N 3.16Å; A629-R631 PolarHBondContact O-N 2.85Å | ||
| 630 | S | 39.4 | Very low | 37.8 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | trans | -45.5 | 115.3 | -172.9 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 631 | R | 37.7 | Very low | 38.6 | Very low | 198 Ų | 198 | 131 Ų | 131 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | trans | -82.5 | 135.4 | 164.5 | -80.9 | -179.1 | 162.5 | 171.9 | -8.3 | 110.1 | A629 E649 | A629-R631 PolarHBondContact O-N 2.85Å; R631-E649 IonicContact CZ-OE1 2.74Å; R631-E649 IonicContact NH2-OE1 3.45Å; R631-E649 PolarHBondContact NH2-OE1 2.8Å | ||
| 632 | P | 34.7 | Very low | 39.4 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 66% | 0.662 | 68% | 0.68 | S | S | * | * | trans | -70.3 | 143.2 | 174.8 | 28.7 | -31 | 0 | 0 | 0 | 110.6 | Y634 | P632-Y634 PolarHBondContact O-N 3.17Š| ||
| 633 | S | 40.3 | Very low | 40.1 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | trans | -70.3 | 107.4 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 110 | K635 | S633-K635 PolarHBondContact O-N 3.35Š| ||
| 634 | Y | 47.7 | Very low | 40.9 | Very low | 108 Ų | 108 | 126 Ų | 126 | 42% | 0.424 | 66% | 0.657 | S | S | . | * | trans | -67.9 | 80.8 | 167.9 | -78.9 | -81.3 | 0 | 0 | 0 | 110.4 | P632 L637 V642 E645 | P632-Y634 PolarHBondContact O-N 3.17Å; Y634-L637 HydrophobicContact CD1-CD1 4.04Å; Y634-L637 HydrophobicContact CE1-CD1 3.84Å; Y634-V642 HydrophobicContact CD1-CG1 4.49Å; Y634-V642 HydrophobicContact CD1-CG2 3.9Å; Y634-V642 HydrophobicContact CE1-CG2 4.47Å; Y634-E645 PolarHBondContact OH-OE2 2.82Å | ||
| 635 | K | 43.9 | Very low | 42 | Very low | 192 Ų | 192 | 120.7 Ų | 120.7 | 84% | 0.835 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -125.7 | 5.1 | 172 | -102.1 | -169.7 | 175.9 | -172 | 0 | 113.6 | S633 | S633-K635 PolarHBondContact O-N 3.35Š|
| 636 | S | 46.9 | Very low | 43 | Very low | 110 Ų | 110 | 116.6 Ų | 116.6 | 77% | 0.769 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -141.6 | 25.5 | -174.2 | 71.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 637 | L | 49 | Very low | 43.8 | Very low | 85 Ų | 85 | 110.4 Ų | 110.4 | 45% | 0.445 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -124.8 | 140 | 175.4 | -75.7 | 161.5 | 0 | 0 | 0 | 109.9 | Y634 V641 V642 | Y634-L637 HydrophobicContact CD1-CD1 4.04Å; Y634-L637 HydrophobicContact CE1-CD1 3.84Å; L637-V641 HydrophobicContact CD2-CG1 4.33Å; L637-V642 HydrophobicContact CB-CG2 4.34Å |
| 638 | P | 51.5 | Low | 45 | Very low | 82 Ų | 82 | 113.5 Ų | 113.5 | 53% | 0.532 | 60% | 0.597 | S | S | . | * | trans | -63.4 | 146.7 | 179.1 | 23.9 | -30.4 | 0 | 0 | 0 | 111.6 | N640 V641 | P638-N640 WeakPolarHBondContact CB-OD1 3.3Å; P638-N640 PolarHBondContact O-N 3.07Å; P638-N640 PolarHBondContact O-OD1 3.07Å; P638-V641 HydrophobicContact CG-CG2 3.98Å; P638-V641 WeakPolarHBondContact O-CB 3.41Å; P638-V641 PolarHBondContact O-N 3.15Å | ||
| 639 | D | 48.8 | Very low | 45.7 | Very low | 144 Ų | 144 | 111.8 Ų | 111.8 | 77% | 0.77 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -54.5 | -31.3 | -166.2 | -71 | -28.7 | 0 | 0 | 0 | 114.4 | V641 V642 F643 | D639-V641 VanDerWaalsContact C-N 3.31Å; D639-V641 PolarHBondContact O-N 3.18Å; D639-V642 PolarHBondContact O-N 3.36Å; D639-F643 PolarHBondContact O-N 3.05Å; D639-F643 VanDerWaalsContact O-N 3.14Å |
| 640 | N | 49.2 | Very low | 46.6 | Very low | 116 Ų | 116 | 115 Ų | 115 | 62% | 0.62 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.4 | -27.5 | 176 | 55.3 | -8.6 | 0 | 0 | 0 | 113.9 | P638 R644 | P638-N640 WeakPolarHBondContact CB-OD1 3.3Å; P638-N640 PolarHBondContact O-N 3.07Å; P638-N640 PolarHBondContact O-OD1 3.07Å; N640-R644 PolarHBondContact O-N 3.46Å |
| 641 | V | 47.2 | Very low | 47.2 | Very low | 32 Ų | 32 | 113.7 Ų | 113.7 | 19% | 0.194 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -81.6 | -36.7 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | L637 P638 D639 R644 E645 | L637-V641 HydrophobicContact CD2-CG1 4.33Å; P638-V641 HydrophobicContact CG-CG2 3.98Å; P638-V641 WeakPolarHBondContact O-CB 3.41Å; P638-V641 PolarHBondContact O-N 3.15Å; D639-V641 VanDerWaalsContact C-N 3.31Å; D639-V641 PolarHBondContact O-N 3.18Å; V641-R644 PolarHBondContact O-N 3.1Å; V641-E645 PolarHBondContact O-N 3.16Å; V641-E645 VanDerWaalsContact O-N 3.08Å |
| 642 | V | 51.3 | Low | 47.9 | Very low | 48 Ų | 48 | 111.3 Ų | 111.3 | 29% | 0.291 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | Y634 L637 D639 E645 F646 | Y634-V642 HydrophobicContact CD1-CG1 4.49Å; Y634-V642 HydrophobicContact CD1-CG2 3.9Å; Y634-V642 HydrophobicContact CE1-CG2 4.47Å; L637-V642 HydrophobicContact CB-CG2 4.34Å; D639-V642 PolarHBondContact O-N 3.36Å; V642-E645 PolarHBondContact O-N 3.46Å; V642-F646 WeakPolarHBondContact O-CB 3.45Å; V642-F646 PolarHBondContact O-N 3.39Å |
| 643 | F | 44.9 | Very low | 48.6 | Very low | 118 Ų | 118 | 110.8 Ų | 110.8 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 177.1 | -164.2 | -97.8 | 0 | 0 | 0 | 112.1 | L601 D639 F646 I647 | L601-F643 HydrophobicContact CD2-CE2 4.48Å; D639-F643 PolarHBondContact O-N 3.05Å; D639-F643 VanDerWaalsContact O-N 3.14Å; F643-F646 PolarHBondContact O-N 2.89Å; F643-I647 HydrophobicContact CD1-CG1 4.26Å; F643-I647 HydrophobicContact CE1-CD1 4.17Å; F643-I647 HydrophobicContact CE1-CG1 4.15Å; F643-I647 HydrophobicContact CZ-CD1 4.47Å; F643-I647 WeakPolarHBondContact O-CG1 3.35Å; F643-I647 PolarHBondContact O-N 2.96Å; F643-I647 VanDerWaalsContact O-N 3.11Å |
| 644 | R | 48.1 | Very low | 49.1 | Very low | 153 Ų | 153 | 108.8 Ų | 108.8 | 58% | 0.577 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -41.4 | 177.8 | -169.9 | 178.6 | 69.2 | -163.6 | 1.1 | 112.6 | N640 V641 W648 | N640-R644 PolarHBondContact O-N 3.46Å; V641-R644 PolarHBondContact O-N 3.1Å; R644-W648 WeakPolarHBondContact O-CB 3.31Å; R644-W648 PolarHBondContact O-N 2.86Å; R644-W648 VanDerWaalsContact O-N 3.1Å |
| 645 | E | 50.8 | Low | 49.1 | Very low | 96 Ų | 96 | 108 Ų | 108 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -39 | 176.9 | -76.2 | -122 | 176.8 | 0 | 0 | 112.1 | Y634 V641 V642 W648 E649 | Y634-E645 PolarHBondContact OH-OE2 2.82Å; V641-E645 PolarHBondContact O-N 3.16Å; V641-E645 VanDerWaalsContact O-N 3.08Å; V642-E645 PolarHBondContact O-N 3.46Å; E645-W648 PolarHBondContact O-N 3.12Å; E645-E649 WeakPolarHBondContact O-CB 3.38Å; E645-E649 PolarHBondContact O-N 2.81Å |
| 646 | F | 50.6 | Low | 49.3 | Very low | 94 Ų | 94 | 104.2 Ų | 104.2 | 41% | 0.412 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 175.7 | 177.3 | -96.9 | 0 | 0 | 0 | 112.6 | V642 F643 W648 E649 R650 | V642-F646 WeakPolarHBondContact O-CB 3.45Å; V642-F646 PolarHBondContact O-N 3.39Å; F643-F646 PolarHBondContact O-N 2.89Å; F646-W648 VanDerWaalsContact C-N 3.35Å; F646-E649 PolarHBondContact O-N 3.06Å; F646-R650 HydrophobicContact CE1-CG 4.43Å; F646-R650 HydrophobicContact CZ-CG 4.33Å; F646-R650 WeakPolarHBondContact O-CG 3.25Å; F646-R650 PolarHBondContact O-N 3.03Å |
| 647 | I | 46.1 | Very low | 49.3 | Very low | 78 Ų | 78 | 102.7 Ų | 102.7 | 40% | 0.4 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.5 | -63.6 | -88.3 | 0 | 0 | 0 | 110.1 | F643 R650 L651 | F643-I647 HydrophobicContact CD1-CG1 4.26Å; F643-I647 HydrophobicContact CE1-CD1 4.17Å; F643-I647 HydrophobicContact CE1-CG1 4.15Å; F643-I647 HydrophobicContact CZ-CD1 4.47Å; F643-I647 WeakPolarHBondContact O-CG1 3.35Å; F643-I647 PolarHBondContact O-N 2.96Å; F643-I647 VanDerWaalsContact O-N 3.11Å; I647-R650 PolarHBondContact O-N 3.38Å; I647-L651 HydrophobicContact CG2-CD1 4.44Å; I647-L651 PolarHBondContact O-N 3.32Å |
| 648 | W | 51.1 | Low | 49.2 | Very low | 191 Ų | 191 | 104.7 Ų | 104.7 | 72% | 0.723 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.6 | -39.2 | -179.8 | -99.4 | 78.2 | 0 | 0 | 0 | 113.6 | R644 E645 F646 R650 K652 | R644-W648 WeakPolarHBondContact O-CB 3.31Å; R644-W648 PolarHBondContact O-N 2.86Å; R644-W648 VanDerWaalsContact O-N 3.1Å; E645-W648 PolarHBondContact O-N 3.12Å; F646-W648 VanDerWaalsContact C-N 3.35Å; W648-R650 VanDerWaalsContact C-N 3.33Å; W648-K652 WeakPolarHBondContact O-CB 3.37Å; W648-K652 PolarHBondContact O-N 2.99Å; W648-K652 VanDerWaalsContact O-N 3.11Å |
| 649 | E | 49.5 | Very low | 48.8 | Very low | 95 Ų | 95 | 106.6 Ų | 106.6 | 44% | 0.444 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 177.3 | -149.7 | -177.9 | 179 | 0 | 0 | 110.4 | R631 E645 F646 K652 D653 | R631-E649 IonicContact CZ-OE1 2.74Å; R631-E649 IonicContact NH2-OE1 3.45Å; R631-E649 PolarHBondContact NH2-OE1 2.8Å; E645-E649 WeakPolarHBondContact O-CB 3.38Å; E645-E649 PolarHBondContact O-N 2.81Å; F646-E649 PolarHBondContact O-N 3.06Å; E649-K652 PolarHBondContact O-N 3.42Å; E649-D653 PolarHBondContact O-N 2.85Å |
| 650 | R | 50.6 | Low | 48.6 | Very low | 154 Ų | 154 | 101.7 Ų | 101.7 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.8 | -35.9 | 177.4 | -69.7 | -62.8 | -170.3 | 167.9 | 3.9 | 114.2 | F646 I647 W648 K652 D653 A654 | F646-R650 HydrophobicContact CE1-CG 4.43Å; F646-R650 HydrophobicContact CZ-CG 4.33Å; F646-R650 WeakPolarHBondContact O-CG 3.25Å; F646-R650 PolarHBondContact O-N 3.03Å; I647-R650 PolarHBondContact O-N 3.38Å; W648-R650 VanDerWaalsContact C-N 3.33Å; R650-K652 VanDerWaalsContact C-N 3.26Å; R650-K652 PolarHBondContact O-N 2.91Å; R650-D653 PolarHBondContact O-N 3.39Å; R650-A654 PolarHBondContact O-N 3.39Å |
| 651 | L | 51.8 | Low | 48.4 | Very low | 94 Ų | 94 | 101.3 Ų | 101.3 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 172 | -132.8 | 108 | 0 | 0 | 0 | 110.6 | I647 A654 D655 | I647-L651 HydrophobicContact CG2-CD1 4.44Å; I647-L651 PolarHBondContact O-N 3.32Å; L651-A654 PolarHBondContact O-N 2.83Å; L651-D655 PolarHBondContact O-N 3.24Å |
| 652 | K | 51.3 | Low | 48 | Very low | 148 Ų | 148 | 104.5 Ų | 104.5 | 64% | 0.643 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.5 | -39.1 | 177.8 | -167 | 178.5 | -178.6 | -178.6 | 0 | 112.1 | W648 E649 R650 D655 V656 | W648-K652 WeakPolarHBondContact O-CB 3.37Å; W648-K652 PolarHBondContact O-N 2.99Å; W648-K652 VanDerWaalsContact O-N 3.11Å; E649-K652 PolarHBondContact O-N 3.42Å; R650-K652 VanDerWaalsContact C-N 3.26Å; R650-K652 PolarHBondContact O-N 2.91Å; K652-D655 PolarHBondContact O-N 3.18Å; K652-V656 WeakPolarHBondContact O-CG2 3.38Å; K652-V656 PolarHBondContact O-N 2.89Å |
| 653 | D | 49.8 | Very low | 47.6 | Very low | 91 Ų | 91 | 111.4 Ų | 111.4 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.8 | -39 | 175.1 | -74.4 | -16.2 | 0 | 0 | 0 | 112 | E649 R650 D655 V656 D657 | E649-D653 PolarHBondContact O-N 2.85Å; R650-D653 PolarHBondContact O-N 3.39Å; D653-D655 VanDerWaalsContact C-N 3.33Å; D653-D655 PolarHBondContact O-N 2.92Å; D653-V656 PolarHBondContact O-N 2.77Å; D653-D657 PolarHBondContact O-N 3.04Å |
| 654 | A | 50.3 | Low | 47.3 | Very low | 55 Ų | 55 | 112 Ų | 112 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.3 | -35 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | R650 L651 V656 D657 | R650-A654 PolarHBondContact O-N 3.39Å; L651-A654 PolarHBondContact O-N 2.83Å; A654-V656 PolarHBondContact O-N 3.13Å; A654-D657 PolarHBondContact O-N 3.35Å |
| 655 | D | 48.2 | Very low | 46.8 | Very low | 92 Ų | 92 | 109 Ų | 109 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.4 | -17.6 | 176.2 | -96 | -24.9 | 0 | 0 | 0 | 114.2 | L651 K652 D653 R704 | L651-D655 PolarHBondContact O-N 3.24Å; K652-D655 PolarHBondContact O-N 3.18Å; D653-D655 VanDerWaalsContact C-N 3.33Å; D653-D655 PolarHBondContact O-N 2.92Å; D655-R704 IonicContact OD1-CZ 3.49Å; D655-R704 VanDerWaalsContact OD1-CZ 3.27Å; D655-R704 IonicContact OD1-NH1 3.19Å; D655-R704 PolarHBondContact OD1-NH1 2.81Å; D655-R704 IonicContact OD1-NH2 3.46Å; D655-R704 PolarHBondContact OD1-NH2 2.95Å |
| 656 | V | 49.1 | Very low | 46 | Very low | 113 Ų | 113 | 112 Ų | 112 | 69% | 0.685 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -4 | 176.2 | -140.5 | 0 | 0 | 0 | 0 | 112.7 | K652 D653 A654 P658 | K652-V656 WeakPolarHBondContact O-CG2 3.38Å; K652-V656 PolarHBondContact O-N 2.89Å; D653-V656 PolarHBondContact O-N 2.77Å; A654-V656 PolarHBondContact O-N 3.13Å; V656-P658 VanDerWaalsContact O-CD 3.28Å; V656-P658 WeakPolarHBondContact O-CD 3.26Å |
| 657 | D | 47 | Very low | 45.3 | Very low | 77 Ų | 77 | 114.3 Ų | 114.3 | 41% | 0.412 | 60% | 0.603 | S | S | . | * | trans | -82 | 111.1 | 178.5 | -171.9 | -16 | 0 | 0 | 0 | 110.7 | D653 A654 T659 A660 | D653-D657 PolarHBondContact O-N 3.04Å; A654-D657 PolarHBondContact O-N 3.35Å; D657-T659 PolarHBondContact O-N 3.3Å; D657-T659 VanDerWaalsContact O-N 3.17Å; D657-T659 WeakPolarHBondContact OD1-CB 3.48Å; D657-T659 PolarHBondContact OD1-N 2.8Å; D657-T659 PolarHBondContact OD1-OG1 2.92Å; D657-T659 PolarHBondContact OD2-OG1 2.95Å; D657-A660 HydrophobicContact CB-CB 4.19Å; D657-A660 PolarHBondContact O-N 3.09Å | ||
| 658 | P | 45.4 | Very low | 44.9 | Very low | 128 Ų | 128 | 116.2 Ų | 116.2 | 83% | 0.831 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -5.7 | -179 | 31.1 | -35 | 0 | 0 | 0 | 113.7 | V656 | V656-P658 VanDerWaalsContact O-CD 3.28Å; V656-P658 WeakPolarHBondContact O-CD 3.26Å |
| 659 | T | 42.9 | Very low | 44.1 | Very low | 121 Ų | 121 | 118.3 Ų | 118.3 | 74% | 0.742 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -7.3 | 176.4 | 66 | 0 | 0 | 0 | 0 | 113.6 | D657 | D657-T659 PolarHBondContact O-N 3.3Å; D657-T659 VanDerWaalsContact O-N 3.17Å; D657-T659 WeakPolarHBondContact OD1-CB 3.48Å; D657-T659 PolarHBondContact OD1-N 2.8Å; D657-T659 PolarHBondContact OD1-OG1 2.92Å; D657-T659 PolarHBondContact OD2-OG1 2.95Å |
| 660 | A | 46.5 | Very low | 43.3 | Very low | 42 Ų | 42 | 118.2 Ų | 118.2 | 35% | 0.347 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -69.8 | 140.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D657 | D657-A660 HydrophobicContact CB-CB 4.19Å; D657-A660 PolarHBondContact O-N 3.09Å |
| 661 | P | 43.9 | Very low | 42.6 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | trans | -61.8 | 144.5 | 178.7 | 23.4 | -30.6 | 0 | 0 | 0 | 111.1 | Y663 | P661-Y663 PolarHBondContact O-N 2.79Š| ||
| 662 | P | 39.5 | Very low | 41.7 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -72.4 | -2.2 | -164.5 | 25.1 | -32.9 | 0 | 0 | 0 | 115.9 | ||
| 663 | Y | 42.8 | Very low | 40.8 | Very low | 194 Ų | 194 | 121.3 Ų | 121.3 | 76% | 0.761 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -139.4 | 125.6 | 179.9 | -53.5 | -73.8 | 0 | 0 | 0 | 109 | P661 S665 | P661-Y663 PolarHBondContact O-N 2.79Å; Y663-S665 PolarHBondContact O-N 2.82Å |
| 664 | D | 38.2 | Very low | 40 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | trans | -60.2 | 117.8 | 163.5 | -91.3 | -26.8 | 0 | 0 | 0 | 107.6 | L666 | D664-L666 PolarHBondContact O-N 3.2Š| ||
| 665 | S | 37.1 | Very low | 39.5 | Very low | 88 Ų | 88 | 124.4 Ų | 124.4 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | trans | -67 | 102.6 | 164.1 | 46.3 | 0 | 0 | 0 | 0 | 106.9 | Y663 Q667 | Y663-S665 PolarHBondContact O-N 2.82Å; S665-Q667 PolarHBondContact O-N 2.93Å | ||
| 666 | L | 34.4 | Very low | 38.7 | Very low | 161 Ų | 161 | 124.9 Ų | 124.9 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | trans | -66.4 | 44.7 | 165 | -100.1 | 158.6 | 0 | 0 | 0 | 110.9 | D664 | D664-L666 PolarHBondContact O-N 3.2Š| ||
| 667 | Q | 35.9 | Very low | 38.1 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | trans | -124.5 | 38.9 | -169.8 | -150.7 | 166 | 8 | 0 | 0 | 110.9 | S665 | S665-Q667 PolarHBondContact O-N 2.93Š| ||
| 668 | T | 36.8 | Very low | 37.6 | Very low | 117 Ų | 117 | 127 Ų | 127 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -141.2 | 25.8 | 168 | -29.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 669 | Y | 34.2 | Very low | 36.9 | Very low | 235 Ų | 235 | 129.2 Ų | 129.2 | 92% | 0.922 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -144 | 59.5 | 166.5 | -78.2 | -76.5 | 0 | 0 | 0 | 111.3 | ||
| 670 | A | 34.4 | Very low | 36.5 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -156.2 | 132.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||
| 671 | F | 35.7 | Very low | 35.7 | Very low | 207 Ų | 207 | 134 Ų | 134 | 91% | 0.908 | 77% | 0.768 | S | S | * | * | trans | 84.6 | 80.1 | 173.3 | -113.9 | -95.5 | 0 | 0 | 0 | 117 | ||||
| 672 | E | 31.5 | Very low | 35.3 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | trans | -122.7 | 132.7 | 143.4 | -78 | -170.2 | 167.2 | 0 | 0 | 108.9 | ||||
| 673 | G | 33.7 | Very low | 35.1 | Very low | 60 Ų | 60 | 132.5 Ų | 132.5 | 62% | 0.619 | 76% | 0.762 | S | S | * | * | trans | -71.4 | -171.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G675 | G673-G675 PolarHBondContact O-N 3Å; G673-G675 VanDerWaalsContact O-N 3.12Å | ||
| 674 | S | 32.3 | Very low | 34.4 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 95% | 0.951 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -47.3 | 110.6 | -175.8 | 43.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 675 | G | 41 | Very low | 34.2 | Very low | 76 Ų | 76 | 132.8 Ų | 132.8 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 159.4 | -7.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | G673 | G673-G675 PolarHBondContact O-N 3Å; G673-G675 VanDerWaalsContact O-N 3.12Å | ||
| 676 | S | 30.2 | Very low | 33.9 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | -92.3 | 140.9 | -179.4 | -168.3 | 0 | 0 | 0 | 0 | 113.1 | A678 | S676-A678 VanDerWaalsContact C-N 3.29Å; S676-A678 PolarHBondContact O-N 2.66Å | ||
| 677 | V | 37.3 | Very low | 34.1 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 95% | 0.945 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -90.1 | 15.9 | -175.4 | -150 | 0 | 0 | 0 | 0 | 112.7 | ||
| 678 | A | 35.6 | Very low | 33.8 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -114.2 | 124.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | S676 | S676-A678 VanDerWaalsContact C-N 3.29Å; S676-A678 PolarHBondContact O-N 2.66Å |
| 679 | E | 31.4 | Very low | 33.9 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -59.3 | 139.9 | 179 | -68.8 | 177.6 | 154.9 | 0 | 0 | 112.1 | ||||
| 680 | S | 34.4 | Very low | 33.9 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 55% | 0.552 | 78% | 0.783 | S | S | * | * | trans | -79.1 | 140.6 | 173.9 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | S682 S683 | S680-S682 PolarHBondContact O-N 3.25Å; S680-S682 PolarHBondContact OG-OG 3.38Å; S680-S683 PolarHBondContact O-N 3.05Å; S680-S683 PolarHBondContact O-OG 3.07Å | ||
| 681 | L | 29.7 | Very low | 34.4 | Very low | 184 Ų | 184 | 129.4 Ų | 129.4 | 96% | 0.963 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 17.8 | 175.2 | -84.6 | 164.2 | 0 | 0 | 0 | 115 | ||
| 682 | S | 34.2 | Very low | 34.7 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 1.5 | 169.9 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | S680 | S680-S682 PolarHBondContact O-N 3.25Å; S680-S682 PolarHBondContact OG-OG 3.38Å |
| 683 | S | 36.2 | Very low | 35.4 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 48% | 0.483 | 76% | 0.762 | S | S | . | * | S | Bend | trans | -129.7 | 87.7 | 174.4 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | S680 | S680-S683 PolarHBondContact O-N 3.05Å; S680-S683 PolarHBondContact O-OG 3.07Å |
| 684 | L | 28.1 | Very low | 36 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -172.6 | 114.4 | 149.6 | -96.4 | 156.5 | 0 | 0 | 0 | 108.8 | ||
| 685 | E | 33.3 | Very low | 37 | Very low | 176 Ų | 176 | 123 Ų | 123 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | 73 | 78.5 | 168.3 | -55.8 | -172.8 | 168.3 | 0 | 0 | 117.2 | ||||
| 686 | S | 31.3 | Very low | 37.5 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | 69.5 | 123.4 | 89.2 | 81.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 687 | L | 38 | Very low | 38.7 | Very low | 169 Ų | 169 | 124.4 Ų | 124.4 | 89% | 0.885 | 70% | 0.7 | S | S | * | * | trans | 59.2 | 86.7 | 141 | -64.3 | 158.3 | 0 | 0 | 0 | 117.6 | ||||
| 688 | S | 30.7 | Very low | 39.3 | Very low | 120 Ų | 120 | 117.9 Ų | 117.9 | 84% | 0.839 | 66% | 0.659 | S | S | * | * | trans | -162.9 | 136.5 | 138 | 47.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 689 | T | 38.3 | Very low | 40.3 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 82% | 0.816 | 65% | 0.651 | S | S | * | * | trans | -71.1 | 141.1 | 162 | 43.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 690 | D | 35.5 | Very low | 41.1 | Very low | 149 Ų | 149 | 115.4 Ų | 115.4 | 80% | 0.797 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 67.3 | 125.7 | 167 | -76.1 | -25.6 | 0 | 0 | 0 | 119.6 | ||
| 691 | S | 43.5 | Very low | 41.7 | Very low | 95 Ų | 95 | 119.4 Ų | 119.4 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | trans | 34.8 | 105.3 | 149.4 | 61.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 692 | D | 43.4 | Very low | 42.6 | Very low | 144 Ų | 144 | 111.9 Ų | 111.9 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | 161.4 | 86.2 | 123 | -77.1 | -16.9 | 0 | 0 | 0 | 110 | |||||
| 693 | Q | 44.5 | Very low | 43.2 | Very low | 148 Ų | 148 | 112.9 Ų | 112.9 | 69% | 0.692 | 62% | 0.62 | S | S | * | * | trans | -85.3 | 114.6 | 165.3 | -67.7 | -165 | 8 | 0 | 0 | 108.4 | Y695 | Q693-Y695 HydrophobicContact CB-CD2 4.45Å; Q693-Y695 HydrophobicContact CB-CE1 4.34Å; Q693-Y695 HydrophobicContact CB-CE2 3.65Å; Q693-Y695 WeakPolarHBondContact CB-OH 3.12Å; Q693-Y695 WeakPolarHBondContact O-CD2 3.07Å; Q693-Y695 VanDerWaalsContact O-CE2 3.26Å; Q693-Y695 WeakPolarHBondContact O-CE2 3.43Å; Q693-Y695 PolarHBondContact OE1-OH 2.92Å | ||
| 694 | N | 47 | Very low | 43.6 | Very low | 108 Ų | 108 | 117.5 Ų | 117.5 | 58% | 0.578 | 63% | 0.627 | S | S | * | * | trans | -87.1 | 120.6 | 178.3 | -174.6 | -16.3 | 0 | 0 | 0 | 110.6 | D696 | N694-D696 PolarHBondContact ND2-OD2 2.92Å; N694-D696 VanDerWaalsContact ND2-OD2 3.07Å; N694-D696 VanDerWaalsContact OD1-CB 3.25Å; N694-D696 WeakPolarHBondContact OD1-CB 3.22Å; N694-D696 PolarHBondContact OD1-N 3.11Å; N694-D696 PolarHBondContact OD1-OD1 3.28Å; N694-D696 PolarHBondContact OD1-OD2 3.41Å | ||
| 695 | Y | 52.8 | Low | 44.5 | Very low | 64 Ų | 64 | 113.7 Ų | 113.7 | 25% | 0.251 | 60% | 0.604 | S | S | . | * | trans | -107.3 | 15.9 | -176.8 | -59.7 | -78.6 | 0 | 0 | 0 | 114.4 | Q693 Y697 L698 Y712 | Q693-Y695 HydrophobicContact CB-CD2 4.45Å; Q693-Y695 HydrophobicContact CB-CE1 4.34Å; Q693-Y695 HydrophobicContact CB-CE2 3.65Å; Q693-Y695 WeakPolarHBondContact CB-OH 3.12Å; Q693-Y695 WeakPolarHBondContact O-CD2 3.07Å; Q693-Y695 VanDerWaalsContact O-CE2 3.26Å; Q693-Y695 WeakPolarHBondContact O-CE2 3.43Å; Q693-Y695 PolarHBondContact OE1-OH 2.92Å; Y695-Y697 HydrophobicContact CD1-CE1 4.49Å; Y695-Y697 PolarHBondContact O-N 2.71Å; Y695-L698 WeakPolarHBondContact O-CB 3.43Å; Y695-L698 PolarHBondContact O-N 2.89Å; Y695-L698 VanDerWaalsContact O-N 3.16Å; Y695-Y712 HydrophobicContact CD2-CD1 4.3Å; Y695-Y712 HydrophobicContact CD2-CG 4.27Å; Y695-Y712 HydrophobicContact CE2-CD1 4.14Å | ||
| 696 | D | 52.5 | Low | 45.4 | Very low | 87 Ų | 87 | 111.4 Ų | 111.4 | 47% | 0.465 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -58 | -21.7 | -177.4 | -72.7 | -23.2 | 0 | 0 | 0 | 114 | N694 L698 S699 | N694-D696 PolarHBondContact ND2-OD2 2.92Å; N694-D696 VanDerWaalsContact ND2-OD2 3.07Å; N694-D696 VanDerWaalsContact OD1-CB 3.25Å; N694-D696 WeakPolarHBondContact OD1-CB 3.22Å; N694-D696 PolarHBondContact OD1-N 3.11Å; N694-D696 PolarHBondContact OD1-OD1 3.28Å; N694-D696 PolarHBondContact OD1-OD2 3.41Å; D696-L698 PolarHBondContact O-N 3.09Å; D696-S699 PolarHBondContact O-OG 3.23Å |
| 697 | Y | 54.5 | Low | 46.2 | Very low | 119 Ų | 119 | 114.9 Ų | 114.9 | 47% | 0.467 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -70.2 | -18.9 | -179.4 | 65.2 | -90.7 | 0 | 0 | 0 | 113.7 | Y695 S699 N700 W701 | Y695-Y697 HydrophobicContact CD1-CE1 4.49Å; Y695-Y697 PolarHBondContact O-N 2.71Å; Y697-S699 PolarHBondContact O-N 2.76Å; Y697-N700 WeakPolarHBondContact O-CB 3.25Å; Y697-N700 PolarHBondContact O-N 2.72Å; Y697-W701 HydrophobicContact CD2-CZ2 4.39Å; Y697-W701 HydrophobicContact CE2-CZ2 4.41Å |
| 698 | L | 49.9 | Very low | 46.7 | Very low | 18 Ų | 18 | 111.2 Ų | 111.2 | 9% | 0.094 | 58% | 0.575 | C | S | . | * | G | 310 helix | trans | -65.7 | -24.3 | -179.7 | -68.8 | 173.1 | 0 | 0 | 0 | 112.8 | Y695 D696 N700 W701 L708 A709 | Y695-L698 WeakPolarHBondContact O-CB 3.43Å; Y695-L698 PolarHBondContact O-N 2.89Å; Y695-L698 VanDerWaalsContact O-N 3.16Å; D696-L698 PolarHBondContact O-N 3.09Å; L698-N700 PolarHBondContact O-N 3.42Å; L698-W701 PolarHBondContact O-N 2.97Å; L698-L708 HydrophobicContact CD1-CD2 4.22Å; L698-A709 HydrophobicContact CB-CB 3.79Å |
| 699 | S | 56.2 | Low | 48 | Very low | 67 Ų | 67 | 105.9 Ų | 105.9 | 47% | 0.469 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -68.9 | -20.7 | 177 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | D696 Y697 W701 | D696-S699 PolarHBondContact O-OG 3.23Å; Y697-S699 PolarHBondContact O-N 2.76Å; S699-W701 VanDerWaalsContact C-N 3.3Å |
| 700 | N | 49.9 | Very low | 48.9 | Very low | 136 Ų | 136 | 104.8 Ų | 104.8 | 73% | 0.727 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -82.9 | -8.3 | -177.8 | -63.6 | -28.9 | 0 | 0 | 0 | 113 | Y697 L698 G702 | Y697-N700 WeakPolarHBondContact O-CB 3.25Å; Y697-N700 PolarHBondContact O-N 2.72Å; L698-N700 PolarHBondContact O-N 3.42Å; N700-G702 VanDerWaalsContact C-N 3.29Å; N700-G702 PolarHBondContact O-N 3.43Å |
| 701 | W | 46.8 | Very low | 49.6 | Very low | 162 Ų | 162 | 103.6 Ų | 103.6 | 61% | 0.614 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -91.2 | 7.6 | -174.7 | -68.6 | 18.9 | 0 | 0 | 0 | 113.1 | Y697 L698 S699 F705 | Y697-W701 HydrophobicContact CD2-CZ2 4.39Å; Y697-W701 HydrophobicContact CE2-CZ2 4.41Å; L698-W701 PolarHBondContact O-N 2.97Å; S699-W701 VanDerWaalsContact C-N 3.3Å; W701-F705 HydrophobicContact CB-CB 4.35Å; W701-F705 HydrophobicContact CB-CD2 3.82Å; W701-F705 HydrophobicContact CB-CE2 4.43Å; W701-F705 HydrophobicContact CB-CG 4.17Å; W701-F705 WeakPolarHBondContact O-CD2 3.26Å |
| 702 | G | 48.6 | Very low | 50 | Low | 27 Ų | 27 | 105.3 Ų | 105.3 | 28% | 0.278 | 51% | 0.513 | S | S | . | . | trans | 102 | 173.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114 | N700 R704 F705 | N700-G702 VanDerWaalsContact C-N 3.29Å; N700-G702 PolarHBondContact O-N 3.43Å; G702-R704 PolarHBondContact O-N 3.42Å; G702-F705 PolarHBondContact O-N 2.81Å; G702-F705 VanDerWaalsContact O-N 3.08Å | ||
| 703 | P | 46.8 | Very low | 50.3 | Low | 125 Ų | 125 | 99.6 Ų | 99.6 | 81% | 0.812 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.3 | -164.7 | 20.7 | -31.1 | 0 | 0 | 0 | 115 | ||
| 704 | R | 44.2 | Very low | 50.2 | Low | 166 Ų | 166 | 99.5 Ų | 99.5 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -24.5 | 176.4 | -69 | -167.7 | -176.4 | 169.8 | 11.5 | 113.5 | D655 G702 | D655-R704 IonicContact OD1-CZ 3.49Å; D655-R704 VanDerWaalsContact OD1-CZ 3.27Å; D655-R704 IonicContact OD1-NH1 3.19Å; D655-R704 PolarHBondContact OD1-NH1 2.81Å; D655-R704 IonicContact OD1-NH2 3.46Å; D655-R704 PolarHBondContact OD1-NH2 2.95Å; G702-R704 PolarHBondContact O-N 3.42Å |
| 705 | F | 47.3 | Very low | 50.2 | Low | 75 Ų | 75 | 98.9 Ų | 98.9 | 33% | 0.329 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -6.8 | -179.2 | -63.8 | -81.6 | 0 | 0 | 0 | 113.7 | W701 G702 K707 L708 A709 | W701-F705 HydrophobicContact CB-CB 4.35Å; W701-F705 HydrophobicContact CB-CD2 3.82Å; W701-F705 HydrophobicContact CB-CE2 4.43Å; W701-F705 HydrophobicContact CB-CG 4.17Å; W701-F705 WeakPolarHBondContact O-CD2 3.26Å; G702-F705 PolarHBondContact O-N 2.81Å; G702-F705 VanDerWaalsContact O-N 3.08Å; F705-K707 VanDerWaalsContact C-N 3.26Å; F705-K707 PolarHBondContact O-N 3.29Å; F705-L708 WeakPolarHBondContact O-CB 3.4Å; F705-L708 PolarHBondContact O-N 2.98Å; F705-A709 PolarHBondContact O-N 2.78Å |
| 706 | K | 51.5 | Low | 49.8 | Very low | 129 Ų | 129 | 103 Ų | 103 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -54.1 | -40.9 | -178.5 | -169.8 | 175 | -177.9 | 178.6 | 0 | 112.9 | L708 A709 D710 | K706-L708 VanDerWaalsContact C-N 3.29Å; K706-L708 PolarHBondContact O-N 3.08Å; K706-A709 PolarHBondContact O-N 3.39Å; K706-D710 WeakPolarHBondContact O-CB 3.42Å; K706-D710 PolarHBondContact O-N 3.35Å |
| 707 | K | 48.8 | Very low | 48.9 | Very low | 172 Ų | 172 | 104.1 Ų | 104.1 | 75% | 0.748 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.2 | -23.2 | -178.7 | -143.9 | -179.2 | -174.6 | -173.3 | 0 | 113.4 | F705 | F705-K707 VanDerWaalsContact C-N 3.26Å; F705-K707 PolarHBondContact O-N 3.29Å |
| 708 | L | 48.1 | Very low | 47.9 | Very low | 92 Ų | 92 | 103.6 Ų | 103.6 | 48% | 0.482 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -81.5 | -41.4 | 174.8 | -142.8 | 90.2 | 0 | 0 | 0 | 110.2 | L698 F705 K706 D710 L711 Y712 | L698-L708 HydrophobicContact CD1-CD2 4.22Å; F705-L708 WeakPolarHBondContact O-CB 3.4Å; F705-L708 PolarHBondContact O-N 2.98Å; K706-L708 VanDerWaalsContact C-N 3.29Å; K706-L708 PolarHBondContact O-N 3.08Å; L708-D710 VanDerWaalsContact C-N 3.34Å; L708-L711 WeakPolarHBondContact O-CB 3.4Å; L708-L711 PolarHBondContact O-N 3.46Å; L708-L711 VanDerWaalsContact O-N 3.15Å; L708-Y712 WeakPolarHBondContact O-CD2 3.2Å; L708-Y712 PolarHBondContact O-N 2.83Å |
| 709 | A | 57 | Low | 47.2 | Very low | 8 Ų | 8 | 113.6 Ų | 113.6 | 7% | 0.066 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -59.5 | -43.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L698 F705 K706 L711 Y712 G713 | L698-A709 HydrophobicContact CB-CB 3.79Å; F705-A709 PolarHBondContact O-N 2.78Å; K706-A709 PolarHBondContact O-N 3.39Å; A709-L711 PolarHBondContact O-N 2.91Å; A709-Y712 PolarHBondContact O-N 3.39Å; A709-G713 WeakPolarHBondContact O-CA 3.37Å; A709-G713 PolarHBondContact O-N 3.1Å |
| 710 | D | 57.9 | Low | 46 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.4 | -24.7 | 176.8 | -66.4 | -20.7 | 0 | 0 | 0 | 112.9 | K706 L708 | K706-D710 WeakPolarHBondContact O-CB 3.42Å; K706-D710 PolarHBondContact O-N 3.35Å; L708-D710 VanDerWaalsContact C-N 3.34Å |
| 711 | L | 50.5 | Low | 45.8 | Very low | 123 Ų | 123 | 117.8 Ų | 117.8 | 64% | 0.644 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -84 | -25 | -175.8 | -139.9 | 129.2 | 0 | 0 | 0 | 113.1 | L708 A709 | L708-L711 WeakPolarHBondContact O-CB 3.4Å; L708-L711 PolarHBondContact O-N 3.46Å; L708-L711 VanDerWaalsContact O-N 3.15Å; A709-L711 PolarHBondContact O-N 2.91Å |
| 712 | Y | 51.4 | Low | 45.8 | Very low | 131 Ų | 131 | 115.5 Ų | 115.5 | 51% | 0.514 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -119.5 | -9.7 | -175.9 | -72.7 | -79.9 | 0 | 0 | 0 | 113.7 | Y695 L708 A709 | Y695-Y712 HydrophobicContact CD2-CD1 4.3Å; Y695-Y712 HydrophobicContact CD2-CG 4.27Å; Y695-Y712 HydrophobicContact CE2-CD1 4.14Å; L708-Y712 WeakPolarHBondContact O-CD2 3.2Å; L708-Y712 PolarHBondContact O-N 2.83Å; A709-Y712 PolarHBondContact O-N 3.39Å |
| 713 | G | 50.1 | Low | 45.6 | Very low | 25 Ų | 25 | 120.4 Ų | 120.4 | 26% | 0.258 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -96.5 | 13.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116 | A709 | A709-G713 WeakPolarHBondContact O-CA 3.37Å; A709-G713 PolarHBondContact O-N 3.1Å |
| 714 | N | 43.1 | Very low | 45.5 | Very low | 146 Ų | 146 | 120.1 Ų | 120.1 | 78% | 0.781 | 63% | 0.63 | S | S | * | * | trans | -141.1 | 80.1 | -177.3 | -126.5 | 13.6 | 0 | 0 | 0 | 112.8 | ||||
| 715 | S | 46.6 | Very low | 45.6 | Very low | 95 Ų | 95 | 117.3 Ų | 117.3 | 66% | 0.664 | 63% | 0.63 | S | S | * | * | trans | -118.3 | 71.4 | 160.7 | 59.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 716 | D | 43.3 | Very low | 45.5 | Very low | 149 Ų | 149 | 120.1 Ų | 120.1 | 80% | 0.797 | 65% | 0.65 | S | S | * | * | trans | -164.9 | 128.5 | 152.1 | -100.5 | -23.5 | 0 | 0 | 0 | 112.3 | ||||
| 717 | S | 34.3 | Very low | 45.1 | Very low | 112 Ų | 112 | 119.4 Ų | 119.4 | 78% | 0.783 | 66% | 0.656 | S | S | * | * | trans | 72.1 | 123.1 | 176.9 | 78.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 718 | V | 34.2 | Very low | 44.8 | Very low | 108 Ų | 108 | 115.4 Ų | 115.4 | 66% | 0.655 | 65% | 0.649 | S | S | * | * | -160.5 | 115.2 | 52.7 | 171 | 0 | 0 | 0 | 0 | 110 | S720 | V718-S720 WeakPolarHBondContact CG1-O 3.16Š| |||
| 719 | F | 35.7 | Very low | 44.5 | Very low | 228 Ų | 228 | 117.3 Ų | 117.3 | 100% | 1 | 66% | 0.663 | S | S | * | * | trans | -97.2 | 102.9 | 137.6 | -100.6 | -79.2 | 0 | 0 | 0 | 106.7 | ||||
| 720 | S | 30.3 | Very low | 43.4 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 100% | 1.21 | 72% | 0.718 | S | S | * | * | trans | -173.1 | 0 | 150.4 | 56 | 0 | 0 | 0 | 0 | 108.8 | V718 | V718-S720 WeakPolarHBondContact CG1-O 3.16Š|
Retrieved 720 of 720 residues in 134.1 ms
(Link to these results)