| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51 | Low | 79.5 | Confident | 233 Ų | 233 | 114.2 Ų | 114.2 | 100% | 1.148 | 60% | 0.596 | S | S | * | * | 0 | 64.1 | 0 | -58.4 | -51.1 | -174.5 | 0 | 0 | 110.8 | |||||
| 2 | S | 60 | Low | 80.7 | Confident | 83 Ų | 83 | 119 Ų | 119 | 58% | 0.58 | 60% | 0.6 | S | S | * | * | trans | -149 | 2 | 176.9 | -170.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3 | T | 64.8 | Low | 81.7 | Confident | 88 Ų | 88 | 117.4 Ų | 117.4 | 54% | 0.54 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.7 | -39.2 | 176.6 | 42 | 0 | 0 | 0 | 0 | 111 | L5 T6 D7 | T3-L5 VanDerWaalsContact C-N 3.35Å; T3-L5 PolarHBondContact O-N 3.31Å; T3-T6 PolarHBondContact O-N 3.36Å; T3-T6 PolarHBondContact O-OG1 3.41Å; T3-D7 PolarHBondContact O-N 2.8Å |
| 4 | D | 74.6 | Confident | 82.7 | Confident | 113 Ų | 113 | 119.4 Ų | 119.4 | 60% | 0.604 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.4 | -37.3 | -172.9 | -55 | -1.3 | 0 | 0 | 0 | 112.3 | D7 V8 | D4-D7 PolarHBondContact O-N 3.44Å; D4-V8 WeakPolarHBondContact O-CG2 3.16Å; D4-V8 PolarHBondContact O-N 3.13Å |
| 5 | L | 84.6 | Confident | 83.6 | Confident | 114 Ų | 114 | 121 Ų | 121 | 60% | 0.597 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.3 | -38.4 | 175.5 | -176.1 | 66.1 | 0 | 0 | 0 | 111.7 | T3 D7 L9 | T3-L5 VanDerWaalsContact C-N 3.35Å; T3-L5 PolarHBondContact O-N 3.31Å; L5-D7 VanDerWaalsContact C-N 3.32Å; L5-L9 HydrophobicContact CG-CD1 4.48Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.34Å; L5-L9 PolarHBondContact O-N 2.98Å; L5-L9 VanDerWaalsContact O-N 3.07Å |
| 6 | T | 86.2 | Confident | 84.3 | Confident | 63 Ų | 63 | 118.1 Ų | 118.1 | 39% | 0.387 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.7 | -33.4 | 177.8 | 55.6 | 0 | 0 | 0 | 0 | 112 | T3 L9 R10 | T3-T6 PolarHBondContact O-N 3.36Å; T3-T6 PolarHBondContact O-OG1 3.41Å; T6-L9 PolarHBondContact O-N 2.93Å; T6-R10 VanDerWaalsContact O-CG 3.26Å; T6-R10 WeakPolarHBondContact O-CG 3.43Å; T6-R10 PolarHBondContact O-N 3.49Å |
| 7 | D | 89.1 | Confident | 85 | Confident | 74 Ų | 74 | 118 Ų | 118 | 40% | 0.396 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.7 | -40.2 | 177.4 | -66.2 | -33.5 | 0 | 0 | 0 | 111.3 | T3 D4 L5 L9 R10 E11 | T3-D7 PolarHBondContact O-N 2.8Å; D4-D7 PolarHBondContact O-N 3.44Å; L5-D7 VanDerWaalsContact C-N 3.32Å; D7-L9 VanDerWaalsContact C-N 3.3Å; D7-L9 PolarHBondContact O-N 3.41Å; D7-R10 WeakPolarHBondContact O-CB 3.46Å; D7-R10 PolarHBondContact O-N 3.46Å; D7-R10 VanDerWaalsContact O-N 3.12Å; D7-E11 PolarHBondContact O-N 3.15Å |
| 8 | V | 91 | Very high | 85.6 | Confident | 88 Ų | 88 | 118.2 Ų | 118.2 | 53% | 0.533 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.5 | -40.6 | 171.3 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | D4 E11 R12 | D4-V8 WeakPolarHBondContact O-CG2 3.16Å; D4-V8 PolarHBondContact O-N 3.13Å; V8-E11 PolarHBondContact O-N 2.78Å; V8-R12 WeakPolarHBondContact O-CB 3.5Å; V8-R12 PolarHBondContact O-N 3.2Å |
| 9 | L | 89.2 | Confident | 86.1 | Confident | 88 Ų | 88 | 115.9 Ų | 115.9 | 46% | 0.461 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.9 | -35.1 | 176.1 | -71.7 | 172.4 | 0 | 0 | 0 | 112.5 | L5 T6 D7 R12 N13 | L5-L9 HydrophobicContact CG-CD1 4.48Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.34Å; L5-L9 PolarHBondContact O-N 2.98Å; L5-L9 VanDerWaalsContact O-N 3.07Å; T6-L9 PolarHBondContact O-N 2.93Å; D7-L9 VanDerWaalsContact C-N 3.3Å; D7-L9 PolarHBondContact O-N 3.41Å; L9-R12 PolarHBondContact O-N 2.87Å; L9-N13 WeakPolarHBondContact O-CB 3.49Å; L9-N13 PolarHBondContact O-N 2.91Å; L9-N13 PolarHBondContact O-ND2 3.49Å |
| 10 | R | 91.2 | Very high | 86.5 | Confident | 170 Ų | 170 | 115.5 Ų | 115.5 | 64% | 0.642 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66 | -43.7 | 174.7 | -75 | 171.2 | -173.7 | -163.3 | 3.2 | 111.4 | T6 D7 N13 K14 | T6-R10 VanDerWaalsContact O-CG 3.26Å; T6-R10 WeakPolarHBondContact O-CG 3.43Å; T6-R10 PolarHBondContact O-N 3.49Å; D7-R10 WeakPolarHBondContact O-CB 3.46Å; D7-R10 PolarHBondContact O-N 3.46Å; D7-R10 VanDerWaalsContact O-N 3.12Å; R10-N13 PolarHBondContact O-N 3.34Å; R10-K14 WeakPolarHBondContact O-CB 3.47Å; R10-K14 PolarHBondContact O-N 3.36Å |
| 11 | E | 93.3 | Very high | 86.8 | Confident | 142 Ų | 142 | 118.9 Ų | 118.9 | 66% | 0.664 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.2 | -43 | 175.5 | -74 | -171.9 | 162.9 | 0 | 0 | 111.8 | D7 V8 N13 K14 Y15 | D7-E11 PolarHBondContact O-N 3.15Å; V8-E11 PolarHBondContact O-N 2.78Å; E11-N13 PolarHBondContact O-N 2.76Å; E11-K14 WeakPolarHBondContact O-CB 3.41Å; E11-K14 PolarHBondContact O-N 3.41Å; E11-Y15 PolarHBondContact O-N 3.41Å |
| 12 | R | 93.3 | Very high | 88.8 | Confident | 172 Ų | 172 | 112.4 Ų | 112.4 | 65% | 0.649 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 175.8 | -172 | 174.3 | -179.9 | 174.3 | 0.2 | 112.1 | V8 L9 K14 Y15 L16 | V8-R12 WeakPolarHBondContact O-CB 3.5Å; V8-R12 PolarHBondContact O-N 3.2Å; L9-R12 PolarHBondContact O-N 2.87Å; R12-K14 VanDerWaalsContact C-N 3.34Å; R12-Y15 PolarHBondContact O-N 3.29Å; R12-L16 HydrophobicContact CG-CD1 4.37Å; R12-L16 VanDerWaalsContact O-CG 3.31Å; R12-L16 WeakPolarHBondContact O-CG 3.29Å; R12-L16 PolarHBondContact O-N 3.01Å |
| 13 | N | 94.1 | Very high | 90.3 | Very high | 98 Ų | 98 | 114.6 Ų | 114.6 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 175.7 | -82 | -26.3 | 0 | 0 | 0 | 112 | L9 R10 E11 L16 L17 | L9-N13 WeakPolarHBondContact O-CB 3.49Å; L9-N13 PolarHBondContact O-N 2.91Å; L9-N13 PolarHBondContact O-ND2 3.49Å; R10-N13 PolarHBondContact O-N 3.34Å; E11-N13 PolarHBondContact O-N 2.76Å; N13-L16 PolarHBondContact O-N 2.93Å; N13-L17 VanDerWaalsContact O-CG 3.29Å; N13-L17 WeakPolarHBondContact O-CG 3.24Å; N13-L17 PolarHBondContact O-N 3.22Å |
| 14 | K | 95.9 | Very high | 91.5 | Very high | 145 Ų | 145 | 118.5 Ų | 118.5 | 63% | 0.63 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60 | -47 | 174.8 | -173.6 | -178.1 | 176.9 | -173.8 | 0 | 111.1 | R10 E11 R12 L16 L17 E18 | R10-K14 WeakPolarHBondContact O-CB 3.47Å; R10-K14 PolarHBondContact O-N 3.36Å; E11-K14 WeakPolarHBondContact O-CB 3.41Å; E11-K14 PolarHBondContact O-N 3.41Å; R12-K14 VanDerWaalsContact C-N 3.34Å; K14-L16 PolarHBondContact O-N 3.49Å; K14-L17 PolarHBondContact O-N 2.88Å; K14-E18 PolarHBondContact O-N 3.07Å |
| 15 | Y | 95.5 | Very high | 92.2 | Very high | 144 Ų | 144 | 117.3 Ų | 117.3 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 177.1 | -178.7 | -100.9 | 0 | 0 | 0 | 112.6 | E11 R12 L17 E18 Q19 | E11-Y15 PolarHBondContact O-N 3.41Å; R12-Y15 PolarHBondContact O-N 3.29Å; Y15-L17 PolarHBondContact O-N 3.32Å; Y15-E18 PolarHBondContact O-N 2.98Å; Y15-Q19 HydrophobicContact CD1-CG 4.33Å; Y15-Q19 HydrophobicContact CE1-CG 3.91Å; Y15-Q19 PolarHBondContact O-N 3.21Å; Y15-Q19 PolarHBondContact OH-NE2 3.26Å |
| 16 | L | 95.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 116.5 Ų | 116.5 | 39% | 0.387 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 177.2 | -71.3 | 171.8 | 0 | 0 | 0 | 112.4 | R12 N13 K14 E18 Q19 L20 | R12-L16 HydrophobicContact CG-CD1 4.37Å; R12-L16 VanDerWaalsContact O-CG 3.31Å; R12-L16 WeakPolarHBondContact O-CG 3.29Å; R12-L16 PolarHBondContact O-N 3.01Å; N13-L16 PolarHBondContact O-N 2.93Å; K14-L16 PolarHBondContact O-N 3.49Å; L16-E18 VanDerWaalsContact C-N 3.31Å; L16-Q19 PolarHBondContact O-N 2.88Å; L16-L20 WeakPolarHBondContact O-CG 3.3Å; L16-L20 PolarHBondContact O-N 3.33Å |
| 17 | L | 94.9 | Very high | 92.4 | Very high | 117 Ų | 117 | 119.2 Ų | 119.2 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.2 | -37.3 | 175.5 | -72.5 | 171 | 0 | 0 | 0 | 111.9 | N13 K14 Y15 L20 R21 | N13-L17 VanDerWaalsContact O-CG 3.29Å; N13-L17 WeakPolarHBondContact O-CG 3.24Å; N13-L17 PolarHBondContact O-N 3.22Å; K14-L17 PolarHBondContact O-N 2.88Å; Y15-L17 PolarHBondContact O-N 3.32Å; L17-L20 PolarHBondContact O-N 3.38Å; L17-R21 PolarHBondContact O-N 3.28Å |
| 18 | E | 95.8 | Very high | 92.2 | Very high | 121 Ų | 121 | 121.1 Ų | 121.1 | 57% | 0.565 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.3 | -42.5 | 176.7 | -158.5 | 133.3 | -142.7 | 0 | 0 | 111.3 | K14 Y15 L16 L20 R21 E22 | K14-E18 PolarHBondContact O-N 3.07Å; Y15-E18 PolarHBondContact O-N 2.98Å; L16-E18 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 3.48Å; E18-R21 PolarHBondContact O-N 3.35Å; E18-E22 PolarHBondContact O-N 2.89Å |
| 19 | Q | 95 | Very high | 91.6 | Very high | 75 Ų | 75 | 124.5 Ų | 124.5 | 35% | 0.35 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.9 | -42.4 | 172.3 | -74.7 | -169.3 | -33.9 | 0 | 0 | 112.7 | Y15 L16 R21 E22 Q23 | Y15-Q19 HydrophobicContact CD1-CG 4.33Å; Y15-Q19 HydrophobicContact CE1-CG 3.91Å; Y15-Q19 PolarHBondContact O-N 3.21Å; Y15-Q19 PolarHBondContact OH-NE2 3.26Å; L16-Q19 PolarHBondContact O-N 2.88Å; Q19-R21 VanDerWaalsContact C-N 3.32Å; Q19-R21 PolarHBondContact O-N 3.19Å; Q19-E22 PolarHBondContact O-N 3.14Å; Q19-Q23 WeakPolarHBondContact O-CG 3.18Å; Q19-Q23 PolarHBondContact O-N 3.38Å |
| 20 | L | 94.2 | Very high | 91 | Very high | 107 Ų | 107 | 126.5 Ų | 126.5 | 56% | 0.56 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.2 | -36.9 | 177.1 | -74.8 | 173.6 | 0 | 0 | 0 | 112.1 | L16 L17 E18 Q23 R24 | L16-L20 WeakPolarHBondContact O-CG 3.3Å; L16-L20 PolarHBondContact O-N 3.33Å; L17-L20 PolarHBondContact O-N 3.38Å; E18-L20 PolarHBondContact O-N 3.48Å; L20-Q23 PolarHBondContact O-N 2.87Å; L20-R24 WeakPolarHBondContact O-CB 3.4Å; L20-R24 PolarHBondContact O-N 3.22Å |
| 21 | R | 92.8 | Very high | 90.2 | Very high | 187 Ų | 187 | 121.5 Ų | 121.5 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65 | -43.9 | 174.5 | -175.8 | -178.8 | -107.5 | -175.9 | -5.9 | 111 | L17 E18 Q19 R24 E25 | L17-R21 PolarHBondContact O-N 3.28Å; E18-R21 PolarHBondContact O-N 3.35Å; Q19-R21 VanDerWaalsContact C-N 3.32Å; Q19-R21 PolarHBondContact O-N 3.19Å; R21-R24 PolarHBondContact O-N 3.08Å; R21-E25 PolarHBondContact O-N 2.96Å |
| 22 | E | 93.8 | Very high | 88.9 | Confident | 97 Ų | 97 | 118 Ų | 118 | 45% | 0.453 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.7 | -39.3 | 177.5 | -162.9 | -167.7 | 164.1 | 0 | 0 | 111.9 | E18 Q19 E25 K26 | E18-E22 PolarHBondContact O-N 2.89Å; Q19-E22 PolarHBondContact O-N 3.14Å; E22-E25 PolarHBondContact O-N 3.37Å; E22-K26 HydrophobicContact CG-CD 4.47Å; E22-K26 WeakPolarHBondContact O-CB 3.38Å; E22-K26 VanDerWaalsContact O-CG 3.31Å; E22-K26 WeakPolarHBondContact O-CG 3.35Å; E22-K26 PolarHBondContact O-N 2.99Å; E22-K26 WeakPolarHBondContact OE1-CE 3.47Å; E22-K26 IonicContact OE1-NZ 3.45Å; E22-K26 PolarHBondContact OE1-NZ 3.34Å; E22-K26 IonicContact OE2-NZ 2.67Å |
| 23 | Q | 91.6 | Very high | 86.9 | Confident | 129 Ų | 129 | 113.9 Ų | 113.9 | 60% | 0.603 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.1 | -42 | 174.4 | -76.6 | -163.4 | -14.3 | 0 | 0 | 112.2 | Q19 L20 E25 K26 L27 | Q19-Q23 WeakPolarHBondContact O-CG 3.18Å; Q19-Q23 PolarHBondContact O-N 3.38Å; L20-Q23 PolarHBondContact O-N 2.87Å; Q23-E25 VanDerWaalsContact C-N 3.33Å; Q23-E25 PolarHBondContact O-N 3.49Å; Q23-K26 PolarHBondContact O-N 2.87Å; Q23-L27 VanDerWaalsContact O-CB 3.26Å; Q23-L27 WeakPolarHBondContact O-CB 3.26Å; Q23-L27 PolarHBondContact O-N 3.42Å |
| 24 | R | 89.8 | Confident | 84.8 | Confident | 170 Ų | 170 | 114.3 Ų | 114.3 | 64% | 0.642 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.1 | -47.4 | 172.9 | 174.2 | -169.6 | -77.5 | -111 | 1.7 | 110.7 | L20 R21 L27 E28 | L20-R24 WeakPolarHBondContact O-CB 3.4Å; L20-R24 PolarHBondContact O-N 3.22Å; R21-R24 PolarHBondContact O-N 3.08Å; R24-L27 CarbonylContact O-C 3.49Å; R24-L27 PolarHBondContact O-N 3.03Å; R24-E28 HydrophobicContact CG-CG 4.42Å; R24-E28 WeakPolarHBondContact CG-OE1 3.36Å; R24-E28 WeakPolarHBondContact O-CB 3.38Å; R24-E28 WeakPolarHBondContact O-CG 3.42Å; R24-E28 PolarHBondContact O-N 2.77Å |
| 25 | E | 90.2 | Very high | 82.7 | Confident | 89 Ų | 89 | 115.5 Ų | 115.5 | 42% | 0.416 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.4 | -41 | -178.5 | -162.1 | -169.5 | 158.5 | 0 | 0 | 111.8 | R21 E22 Q23 L27 E28 R29 | R21-E25 PolarHBondContact O-N 2.96Å; E22-E25 PolarHBondContact O-N 3.37Å; Q23-E25 VanDerWaalsContact C-N 3.33Å; Q23-E25 PolarHBondContact O-N 3.49Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 2.87Å; E25-E28 PolarHBondContact O-N 3.21Å; E25-R29 WeakPolarHBondContact O-CB 3.4Å; E25-R29 WeakPolarHBondContact O-CG 3.5Å; E25-R29 PolarHBondContact O-N 2.78Å; E25-R29 IonicContact OE1-CZ 3.03Å; E25-R29 IonicContact OE1-NE 3.36Å; E25-R29 PolarHBondContact OE1-NE 2.98Å; E25-R29 IonicContact OE1-NH2 2.76Å; E25-R29 PolarHBondContact OE1-NH2 3.03Å; E25-R29 IonicContact OE2-NH2 3.05Å; E25-R29 PolarHBondContact OE2-NH2 3.47Å |
| 26 | K | 89.8 | Confident | 80.5 | Confident | 96 Ų | 96 | 113.9 Ų | 113.9 | 42% | 0.417 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.7 | -42.1 | 172 | -76 | 172.9 | -177.4 | 167.8 | 0 | 111.3 | E22 Q23 R29 V30 | E22-K26 HydrophobicContact CG-CD 4.47Å; E22-K26 WeakPolarHBondContact O-CB 3.38Å; E22-K26 VanDerWaalsContact O-CG 3.31Å; E22-K26 WeakPolarHBondContact O-CG 3.35Å; E22-K26 PolarHBondContact O-N 2.99Å; E22-K26 WeakPolarHBondContact OE1-CE 3.47Å; E22-K26 IonicContact OE1-NZ 3.45Å; E22-K26 PolarHBondContact OE1-NZ 3.34Å; E22-K26 IonicContact OE2-NZ 2.67Å; Q23-K26 PolarHBondContact O-N 2.87Å; K26-R29 PolarHBondContact O-N 3.44Å; K26-V30 WeakPolarHBondContact O-CB 3.4Å; K26-V30 VanDerWaalsContact O-CG2 3.23Å; K26-V30 WeakPolarHBondContact O-CG2 3.27Å; K26-V30 PolarHBondContact O-N 2.93Å |
| 27 | L | 85.5 | Confident | 78.3 | Confident | 120 Ų | 120 | 122.5 Ų | 122.5 | 63% | 0.628 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.1 | -39 | 179 | -159.1 | 143 | 0 | 0 | 0 | 111.4 | Q23 R24 E25 V30 S31 | Q23-L27 VanDerWaalsContact O-CB 3.26Å; Q23-L27 WeakPolarHBondContact O-CB 3.26Å; Q23-L27 PolarHBondContact O-N 3.42Å; R24-L27 CarbonylContact O-C 3.49Å; R24-L27 PolarHBondContact O-N 3.03Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 2.87Å; L27-V30 PolarHBondContact O-N 3.23Å; L27-S31 WeakPolarHBondContact O-CB 3.35Å; L27-S31 PolarHBondContact O-N 3.07Å; L27-S31 PolarHBondContact O-OG 3.06Å; L27-S31 VanDerWaalsContact O-OG 3.14Å |
| 28 | E | 83.4 | Confident | 75.8 | Confident | 115 Ų | 115 | 126.8 Ų | 126.8 | 54% | 0.537 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.5 | -36.2 | 173.5 | -76.3 | 177.4 | -171.4 | 0 | 0 | 112.3 | R24 E25 | R24-E28 HydrophobicContact CG-CG 4.42Å; R24-E28 WeakPolarHBondContact CG-OE1 3.36Å; R24-E28 WeakPolarHBondContact O-CB 3.38Å; R24-E28 WeakPolarHBondContact O-CG 3.42Å; R24-E28 PolarHBondContact O-N 2.77Å; E25-E28 PolarHBondContact O-N 3.21Å |
| 29 | R | 78.7 | Confident | 73.5 | Confident | 158 Ų | 158 | 132.3 Ų | 132.3 | 60% | 0.596 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.2 | -35 | 173 | -71.2 | -172.7 | -134.8 | 132.6 | -6.3 | 112.5 | E25 K26 | E25-R29 WeakPolarHBondContact O-CB 3.4Å; E25-R29 WeakPolarHBondContact O-CG 3.5Å; E25-R29 PolarHBondContact O-N 2.78Å; E25-R29 IonicContact OE1-CZ 3.03Å; E25-R29 IonicContact OE1-NE 3.36Å; E25-R29 PolarHBondContact OE1-NE 2.98Å; E25-R29 IonicContact OE1-NH2 2.76Å; E25-R29 PolarHBondContact OE1-NH2 3.03Å; E25-R29 IonicContact OE2-NH2 3.05Å; E25-R29 PolarHBondContact OE2-NH2 3.47Å; K26-R29 PolarHBondContact O-N 3.44Å |
| 30 | V | 77.5 | Confident | 70.9 | Confident | 131 Ų | 131 | 130.6 Ų | 130.6 | 79% | 0.794 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.5 | -32.9 | 179 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | K26 L27 G32 | K26-V30 WeakPolarHBondContact O-CB 3.4Å; K26-V30 VanDerWaalsContact O-CG2 3.23Å; K26-V30 WeakPolarHBondContact O-CG2 3.27Å; K26-V30 PolarHBondContact O-N 2.93Å; L27-V30 PolarHBondContact O-N 3.23Å; V30-G32 VanDerWaalsContact C-N 3.33Å; V30-G32 PolarHBondContact O-N 3.06Å |
| 31 | S | 72.9 | Confident | 68.5 | Low | 65 Ų | 65 | 136.2 Ų | 136.2 | 46% | 0.455 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -83.1 | -5.8 | -174.7 | 76.7 | 0 | 0 | 0 | 0 | 114.4 | L27 S33 | L27-S31 WeakPolarHBondContact O-CB 3.35Å; L27-S31 PolarHBondContact O-N 3.07Å; L27-S31 PolarHBondContact O-OG 3.06Å; L27-S31 VanDerWaalsContact O-OG 3.14Å; S31-S33 VanDerWaalsContact C-N 3.25Å; S31-S33 PolarHBondContact O-N 3.44Å |
| 32 | G | 66.2 | Low | 66.2 | Low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | trans | 44 | 35.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | V30 | V30-G32 VanDerWaalsContact C-N 3.33Å; V30-G32 PolarHBondContact O-N 3.06Å | ||
| 33 | S | 51.8 | Low | 63.9 | Low | 87 Ų | 87 | 134.5 Ų | 134.5 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | trans | -174.2 | 119.6 | 169.1 | 83.6 | 0 | 0 | 0 | 0 | 109.4 | S31 | S31-S33 VanDerWaalsContact C-N 3.25Å; S31-S33 PolarHBondContact O-N 3.44Å | ||
| 34 | S | 50.9 | Low | 61.7 | Low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | 100.1 | 36.4 | 82.7 | 69.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 35 | L | 50 | Low | 59.6 | Low | 170 Ų | 170 | 134.9 Ų | 134.9 | 89% | 0.89 | 69% | 0.686 | S | S | * | * | trans | -122.1 | 5.4 | 171.1 | -73.9 | 172.1 | 0 | 0 | 0 | 116.5 | ||||
| 36 | S | 50.8 | Low | 57.5 | Low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -89.3 | -16.2 | -174.7 | -178.2 | 0 | 0 | 0 | 0 | 115.6 | K38 | S36-K38 VanDerWaalsContact C-N 3.26Å; S36-K38 PolarHBondContact O-N 3.49Å; S36-K38 VanDerWaalsContact O-N 3.1Å |
| 37 | R | 48.1 | Very low | 55.4 | Low | 255 Ų | 255 | 141.5 Ų | 141.5 | 96% | 0.962 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -75.6 | 0.6 | -173.6 | -76.8 | -171.2 | -178.2 | 170.9 | 1.9 | 116.4 | ||
| 38 | K | 44 | Very low | 53.3 | Low | 207 Ų | 207 | 144.1 Ų | 144.1 | 90% | 0.9 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -110.9 | 5.4 | -175.5 | -144.9 | 172.7 | -178.5 | 178.8 | 0 | 115.7 | S36 | S36-K38 VanDerWaalsContact C-N 3.26Å; S36-K38 PolarHBondContact O-N 3.49Å; S36-K38 VanDerWaalsContact O-N 3.1Å |
| 39 | R | 46.7 | Very low | 51.4 | Low | 236 Ų | 236 | 146.8 Ų | 146.8 | 89% | 0.891 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -128.9 | 24.1 | -179.5 | -141.1 | -176.6 | -133.7 | -161.4 | 3 | 114.7 | ||
| 40 | G | 39.4 | Very low | 49.8 | Very low | 40 Ų | 40 | 147.6 Ų | 147.6 | 41% | 0.412 | 75% | 0.747 | S | S | . | * | S | Bend | trans | -105 | -4.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 41 | R | 43.9 | Very low | 48.2 | Very low | 225 Ų | 225 | 152.4 Ų | 152.4 | 85% | 0.849 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -95.1 | -9 | -173.8 | -94.9 | -169.7 | -173.3 | -150.3 | 1.6 | 116.2 | ||
| 42 | E | 45.3 | Very low | 46.6 | Very low | 180 Ų | 180 | 160.3 Ų | 160.3 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -105.7 | -7.9 | -177.3 | -66.8 | 178.2 | -179.5 | 0 | 0 | 113.1 | ||
| 43 | A | 44.6 | Very low | 45.2 | Very low | 67 Ų | 67 | 166 Ų | 166 | 55% | 0.554 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -100.6 | -19.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 44 | E | 45.8 | Very low | 44.6 | Very low | 149 Ų | 149 | 167.2 Ų | 167.2 | 70% | 0.696 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -12.7 | -177.5 | -66.5 | -172.3 | 177.4 | 0 | 0 | 113.8 | ||
| 45 | E | 46.5 | Very low | 43.8 | Very low | 159 Ų | 159 | 171.5 Ų | 171.5 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -26.9 | 174.2 | -76.3 | -172.6 | 164.4 | 0 | 0 | 112.6 | ||
| 46 | E | 45.9 | Very low | 43.3 | Very low | 164 Ų | 164 | 169.4 Ų | 169.4 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -30.4 | -178 | -147.3 | 173.1 | -165.1 | 0 | 0 | 112.4 | ||
| 47 | E | 45.9 | Very low | 42.4 | Very low | 160 Ų | 160 | 172.9 Ų | 172.9 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -13.6 | -178.5 | -148.6 | -177.4 | -175.8 | 0 | 0 | 113.6 | ||
| 48 | K | 41.9 | Very low | 41.9 | Very low | 174 Ų | 174 | 166 Ų | 166 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -16.4 | -179.1 | -116.8 | 178.9 | -176.1 | 173.9 | 0 | 114.1 | ||
| 49 | E | 43.1 | Very low | 41.3 | Very low | 172 Ų | 172 | 162.6 Ų | 162.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -17.8 | -178.5 | -163.1 | 149.8 | -171 | 0 | 0 | 112.9 | R51 | E49-R51 PolarHBondContact O-N 3.15Š|
| 50 | E | 44.7 | Very low | 40.8 | Very low | 175 Ų | 175 | 158.9 Ų | 158.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -5.9 | -178.1 | -149.9 | 178.9 | -180 | 0 | 0 | 114.4 | ||
| 51 | R | 44.8 | Very low | 40.5 | Very low | 231 Ų | 231 | 164 Ų | 164 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 13 | -173 | -95 | -172.7 | 177.8 | -171.9 | 2.1 | 117.1 | E49 | E49-R51 PolarHBondContact O-N 3.15Š|
| 52 | R | 39.2 | Very low | 40 | Very low | 231 Ų | 231 | 162.8 Ų | 162.8 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -111.8 | 96.9 | 176.1 | -68.3 | -173.4 | 178.3 | -175.8 | -0.9 | 111.6 | ||||
| 53 | Q | 35.6 | Very low | 39.4 | Very low | 188 Ų | 188 | 157.6 Ų | 157.6 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 160.3 | 160.7 | -82.2 | -153.1 | 12.4 | 0 | 0 | 111.1 | ||
| 54 | P | 40.5 | Very low | 39.1 | Very low | 112 Ų | 112 | 164.4 Ų | 164.4 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 132.3 | -139 | 35.3 | -31.6 | 0 | 0 | 0 | 113.1 | ||
| 55 | E | 33.6 | Very low | 38.7 | Very low | 197 Ų | 197 | 160.7 Ų | 160.7 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 127.8 | 159.3 | -83 | -177.8 | 164.7 | 0 | 0 | 109.8 | ||
| 56 | V | 38.6 | Very low | 38.4 | Very low | 126 Ų | 126 | 156.5 Ų | 156.5 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 121.7 | 179.4 | 171.8 | 0 | 0 | 0 | 0 | 109.7 | V58 | V56-V58 HydrophobicContact CG1-CG2 4.12Š|
| 57 | M | 31.4 | Very low | 38.7 | Very low | 183 Ų | 183 | 154.7 Ų | 154.7 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | trans | -133.8 | 114.2 | 153.2 | -98.9 | -175.7 | 63.3 | 0 | 0 | 109.4 | ||||
| 58 | V | 38.2 | Very low | 38.6 | Very low | 110 Ų | 110 | 152 Ų | 152 | 67% | 0.667 | 83% | 0.825 | S | S | * | * | trans | -79.4 | 126.3 | 176.7 | 172.9 | 0 | 0 | 0 | 0 | 109 | V56 | V56-V58 HydrophobicContact CG1-CG2 4.12Š| ||
| 59 | T | 31.1 | Very low | 38.9 | Very low | 136 Ų | 136 | 155.2 Ų | 155.2 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -139.5 | 120.9 | 142.1 | 43.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 60 | L | 37.9 | Very low | 39.1 | Very low | 158 Ų | 158 | 151.6 Ų | 151.6 | 83% | 0.827 | 83% | 0.832 | S | S | * | * | trans | -69.4 | 129.4 | 172.1 | -70 | 156.7 | 0 | 0 | 0 | 109.5 | ||||
| 61 | T | 32.5 | Very low | 39.2 | Very low | 148 Ų | 148 | 147.9 Ų | 147.9 | 91% | 0.908 | 83% | 0.831 | S | S | * | * | trans | -150.2 | 128.5 | 136.8 | 41.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 62 | E | 32.4 | Very low | 39.3 | Very low | 199 Ų | 199 | 145.2 Ų | 145.2 | 93% | 0.93 | 83% | 0.833 | S | S | * | * | trans | -77.9 | 137.5 | -177 | -178.1 | 178.6 | 178.4 | 0 | 0 | 110.8 | ||||
| 63 | G | 32.8 | Very low | 39.6 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | 164.1 | 99.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G65 | G63-G65 PolarHBondContact O-N 3.11Š| ||
| 64 | H | 38.2 | Very low | 40.4 | Very low | 209 Ų | 209 | 138.8 Ų | 138.8 | 97% | 0.968 | 83% | 0.825 | S | S | * | * | trans | -58.3 | 112.9 | -176.8 | -78 | -81.1 | 0 | 0 | 0 | 114.4 | ||||
| 65 | G | 36.8 | Very low | 40.3 | Very low | 72 Ų | 72 | 139.3 Ų | 139.3 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | -118.7 | 122 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | G63 | G63-G65 PolarHBondContact O-N 3.11Š| ||
| 66 | G | 42.1 | Very low | 40.5 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | -70.6 | 162.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A68 | G66-A68 PolarHBondContact O-N 2.92Š| ||
| 67 | P | 50.3 | Low | 40.4 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -83.9 | 106.3 | 179 | 29.9 | -30.3 | 0 | 0 | 0 | 112.2 | R69 | P67-R69 PolarHBondContact O-N 3.42Š| ||
| 68 | A | 45.3 | Very low | 40.5 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -74.7 | 63.1 | 163 | 0 | 0 | 0 | 0 | 0 | 111.2 | G66 | G66-A68 PolarHBondContact O-N 2.92Š| ||
| 69 | R | 48.4 | Very low | 40.3 | Very low | 242 Ų | 242 | 140.3 Ų | 140.3 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -149.1 | 53.9 | 170.5 | -70.8 | -162.4 | 170.2 | -163 | -2.2 | 112.5 | P67 | P67-R69 PolarHBondContact O-N 3.42Š| ||
| 70 | A | 47 | Very low | 40.4 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -124.4 | 28.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 71 | A | 45.6 | Very low | 40 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | -110.5 | 21.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 72 | L | 47.3 | Very low | 40 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -122.4 | 24.5 | 172.5 | -68.2 | 176.8 | 0 | 0 | 0 | 113.7 | K74 | L72-K74 PolarHBondContact O-N 2.88Š| ||
| 73 | A | 44.9 | Very low | 39.9 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | -80.7 | 116.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 74 | K | 52.6 | Low | 39.8 | Very low | 194 Ų | 194 | 146.4 Ų | 146.4 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -63.4 | 133.5 | 176 | -62.6 | 173 | 180 | 175.8 | 0 | 110 | L72 S76 | L72-K74 PolarHBondContact O-N 2.88Å; K74-S76 PolarHBondContact O-N 3.04Å; K74-S76 VanDerWaalsContact O-N 3.15Å | ||
| 75 | P | 39.8 | Very low | 39.5 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -73.1 | 109.4 | 170.1 | 27.6 | -29.4 | 0 | 0 | 0 | 109.6 | V77 | P75-V77 PolarHBondContact O-N 3.21Š| ||
| 76 | S | 37.4 | Very low | 39.1 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | trans | -78.5 | 103.8 | 163.3 | 171.2 | 0 | 0 | 0 | 0 | 108 | K74 R78 | K74-S76 PolarHBondContact O-N 3.04Å; K74-S76 VanDerWaalsContact O-N 3.15Å; S76-R78 PolarHBondContact O-N 2.99Å | ||
| 77 | V | 35.5 | Very low | 38.4 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | trans | -68.7 | 117.5 | 171.5 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | P75 F79 | P75-V77 PolarHBondContact O-N 3.21Å; V77-F79 HydrophobicContact CG1-CD2 4.44Å; V77-F79 HydrophobicContact CG1-CE2 4.14Å | ||
| 78 | R | 34.6 | Very low | 37.2 | Very low | 226 Ų | 226 | 152.7 Ų | 152.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -112.8 | 127 | 161.5 | -74.9 | -161.7 | 177.9 | -169.8 | 1.3 | 108.5 | S76 | S76-R78 PolarHBondContact O-N 2.99Š| ||
| 79 | F | 34.1 | Very low | 36.3 | Very low | 198 Ų | 198 | 156.3 Ų | 156.3 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -73.2 | 130.3 | 168.5 | -70.5 | -88.7 | 0 | 0 | 0 | 109.1 | V77 | V77-F79 HydrophobicContact CG1-CD2 4.44Å; V77-F79 HydrophobicContact CG1-CE2 4.14Å | ||
| 80 | T | 31.9 | Very low | 35.4 | Very low | 141 Ų | 141 | 149 Ų | 149 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | -84.3 | 116.8 | 163.7 | 48 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 81 | E | 30.9 | Very low | 34.4 | Very low | 186 Ų | 186 | 150.2 Ų | 150.2 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -124.2 | 120.8 | 157.6 | -148.6 | 168.5 | -156.9 | 0 | 0 | 107.7 | ||||
| 82 | T | 33.1 | Very low | 33.5 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -63.3 | 136.3 | -176.1 | 39.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 83 | H | 30.3 | Very low | 32.5 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | trans | -50.9 | 144.4 | 178.7 | -76.7 | -114.1 | 0 | 0 | 0 | 115.3 | ||||
| 84 | K | 29.8 | Very low | 31.6 | Very low | 208 Ų | 208 | 152.5 Ų | 152.5 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | -132.5 | 136.1 | 129.6 | -78.4 | -170.3 | 177.1 | 177.7 | 0 | 110 | |||||
| 85 | D | 30.8 | Very low | 30.3 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -55.3 | 158.9 | -177.9 | -48.3 | -66.1 | 0 | 0 | 0 | 112.7 | ||||
| 86 | S | 29.7 | Very low | 29.8 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | cis | -174.7 | 153.7 | 39.7 | 40.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 87 | H | 27.7 | Very low | 29.8 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 71 | 98.6 | 145.5 | -110.1 | -90.1 | 0 | 0 | 0 | 123.1 | ||||
| 88 | W | 24.4 | Very low | 29.4 | Very low | 187 Ų | 187 | 154.2 Ų | 154.2 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | 24.2 | 117.2 | 125.7 | 172.5 | -103.2 | 0 | 0 | 0 | 119.6 | |||||
| 89 | K | 27 | Very low | 29 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | -170.8 | 129.4 | 109.6 | -96.4 | 174.5 | -169.6 | -179.6 | 0 | 112.2 | |||||
| 90 | S | 28.4 | Very low | 28.6 | Very low | 88 Ų | 88 | 153.9 Ų | 153.9 | 62% | 0.615 | 81% | 0.805 | S | S | * | * | trans | -61.4 | 147.5 | 165.8 | -44.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 91 | S | 27.4 | Very low | 28.4 | Very low | 122 Ų | 122 | 153.5 Ų | 153.5 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | 173.3 | 152.3 | 124.7 | -73.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 92 | S | 25.1 | Very low | 28 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -68.9 | 171 | -176.6 | 51.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 93 | S | 26.7 | Very low | 27.7 | Very low | 89 Ų | 89 | 147.9 Ų | 147.9 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | trans | 84.9 | 120.6 | 143 | 36.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 94 | F | 27.3 | Very low | 27.5 | Very low | 216 Ų | 216 | 148.4 Ų | 148.4 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | trans | 50.2 | 129.2 | 137.6 | -60.4 | -71 | 0 | 0 | 0 | 121.6 | ||||
| 95 | G | 24.2 | Very low | 28 | Very low | 77 Ų | 77 | 143.3 Ų | 143.3 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 139.8 | 112.4 | 145.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 96 | N | 30.1 | Very low | 27.7 | Very low | 164 Ų | 164 | 141 Ų | 141 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -55.8 | 156.3 | 153.9 | -85.7 | -26.7 | 0 | 0 | 0 | 110.5 | ||||
| 97 | P | 36.3 | Very low | 27.6 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | -158.3 | 176.8 | 72.5 | 38.7 | -14.7 | 0 | 0 | 0 | 119.4 | |||||
| 98 | K | 28.5 | Very low | 27.5 | Very low | 197 Ų | 197 | 141.1 Ų | 141.1 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -41.7 | 149 | 174.5 | -63.3 | 163.3 | 172.1 | 174.4 | 0 | 118.5 | ||||
| 99 | H | 26.3 | Very low | 27.6 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | -167.3 | 153.2 | 116 | -127.1 | -96.1 | 0 | 0 | 0 | 114.9 | |||||
| 100 | R | 25 | Very low | 27.6 | Very low | 228 Ų | 228 | 135.4 Ų | 135.4 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -85.6 | 166.5 | -174.9 | -74 | 175.6 | 164.5 | -165.9 | -4.6 | 114.5 | ||||
| 101 | V | 27.6 | Very low | 27.6 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | 156.2 | 106.2 | 128.5 | 170.6 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 102 | A | 23.5 | Very low | 27.8 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | 81 | 108.7 | 74.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 103 | A | 26.2 | Very low | 28 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -176.4 | 126.4 | 142.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 104 | E | 25.8 | Very low | 28.4 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -115.4 | 179.1 | 170.1 | -86 | -100.2 | 164.7 | 0 | 0 | 107.4 | ||||
| 105 | P | 39.5 | Very low | 29.1 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | cis | -131.4 | 173.1 | -1 | 22.9 | 2.9 | 0 | 0 | 0 | 112.9 | ||||
| 106 | S | 26.3 | Very low | 29.4 | Very low | 92 Ų | 92 | 146.7 Ų | 146.7 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | 177.4 | 126.5 | 91.9 | -59 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 107 | T | 26.5 | Very low | 29.3 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 59 | 132.8 | 140.9 | 59.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 108 | L | 25.9 | Very low | 29 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | cis | -167.8 | 146 | 12.4 | -159.8 | 106.3 | 0 | 0 | 0 | 110 | ||||
| 109 | S | 26.8 | Very low | 29 | Very low | 91 Ų | 91 | 142.7 Ų | 142.7 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | 59.5 | 140.1 | 156 | -78.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 110 | D | 27.5 | Very low | 29.1 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | cis | -152.2 | 141.3 | 3.9 | -92.7 | -22.2 | 0 | 0 | 0 | 108.1 | ||||
| 111 | S | 27 | Very low | 29.7 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -151.9 | 133.7 | 167.8 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 112 | Y | 32 | Very low | 29.9 | Very low | 213 Ų | 213 | 135.9 Ų | 135.9 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -19.7 | 131 | 148.9 | -61.3 | -95.1 | 0 | 0 | 0 | 115.5 | ||||
| 113 | Q | 29.9 | Very low | 30.6 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | 173.5 | 150 | 100.5 | -88.3 | -174.5 | 7.9 | 0 | 0 | 111.1 | |||||
| 114 | N | 33.5 | Very low | 31 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -38 | 158.2 | 163 | -139.5 | 8.2 | 0 | 0 | 0 | 112.4 | ||||
| 115 | P | 42 | Very low | 31.3 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | -162.9 | 171.6 | 55 | 42.4 | -18.7 | 0 | 0 | 0 | 119.3 | |||||
| 116 | Q | 32.1 | Very low | 30.9 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 52.7 | 128.6 | 152.7 | -59.7 | -135.5 | -12 | 0 | 0 | 121.5 | ||||
| 117 | D | 26.7 | Very low | 31.2 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -153.2 | 144.3 | 130.7 | -98.5 | -15.3 | 0 | 0 | 0 | 111.1 | ||||
| 118 | Y | 29.5 | Very low | 31.2 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | trans | -75 | 152.9 | -177.2 | 37 | -90.4 | 0 | 0 | 0 | 112.1 | ||||
| 119 | S | 28.9 | Very low | 31.9 | Very low | 99 Ų | 99 | 148.3 Ų | 148.3 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | 156.7 | 131.1 | 117.9 | -95 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 120 | T | 28.8 | Very low | 32.1 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 84.6 | 98.2 | 140.7 | -46.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 121 | L | 36.7 | Very low | 32.1 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -52.8 | 152.2 | 151.1 | -68.1 | 167.9 | 0 | 0 | 0 | 110.7 | ||||
| 122 | P | 33.4 | Very low | 32.2 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | -140.6 | 144.9 | 94.4 | 32.1 | -15.3 | 0 | 0 | 0 | 114.7 | |||||
| 123 | D | 38.3 | Very low | 32 | Very low | 121 Ų | 121 | 149 Ų | 149 | 65% | 0.647 | 78% | 0.775 | S | S | * | * | trans | -63 | 146.8 | 159.7 | -144 | 6.8 | 0 | 0 | 0 | 110.2 | ||||
| 124 | P | 33.8 | Very low | 31.7 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -149.5 | 104.4 | 136.9 | 29.6 | -8.6 | 0 | 0 | 0 | 114.3 | ||||
| 125 | W | 32.7 | Very low | 31.5 | Very low | 225 Ų | 225 | 148.7 Ų | 148.7 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | -79 | 111.3 | 140.1 | -85.3 | -87.1 | 0 | 0 | 0 | 108.7 | ||||
| 126 | S | 31.3 | Very low | 31.4 | Very low | 105 Ų | 105 | 149 Ų | 149 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -178.2 | 125 | 144.4 | -86.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 127 | L | 31.9 | Very low | 31.1 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | 67 | 106.2 | 145.1 | -56.8 | 168.9 | 0 | 0 | 0 | 119.5 | ||||
| 128 | R | 27.1 | Very low | 31.4 | Very low | 240 Ų | 240 | 150.1 Ų | 150.1 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | -166.4 | 114.4 | 117.8 | -133.1 | 167.9 | -80 | -132 | -0.8 | 113.1 | |||||
| 129 | M | 40.4 | Very low | 31.5 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -72.2 | 144.5 | 153.6 | -70.6 | -75 | -80.8 | 0 | 0 | 109 | ||||
| 130 | P | 31.7 | Very low | 31.7 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -114.1 | 120.9 | 147.5 | 19.1 | -1.4 | 0 | 0 | 0 | 110.4 | ||||
| 131 | F | 27.2 | Very low | 31.8 | Very low | 187 Ų | 187 | 157.8 Ų | 157.8 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | trans | -76.7 | 136.8 | 154.2 | -84.6 | -89.1 | 0 | 0 | 0 | 109.4 | ||||
| 132 | S | 27.5 | Very low | 31.3 | Very low | 108 Ų | 108 | 153.2 Ų | 153.2 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -170.1 | 99.6 | 142.1 | -164.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 133 | Q | 28.2 | Very low | 31.2 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | 70.1 | 118.5 | 90.5 | -78 | -165.9 | 12.1 | 0 | 0 | 115.6 | |||||
| 134 | V | 24.1 | Very low | 30.9 | Very low | 110 Ų | 110 | 158.6 Ų | 158.6 | 67% | 0.667 | 79% | 0.794 | S | S | * | * | trans | 77.6 | 124.8 | 130.4 | 171.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 135 | R | 29.5 | Very low | 30.8 | Very low | 221 Ų | 221 | 158 Ų | 158 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | cis | -173.4 | -169.9 | 22.6 | -127.6 | -179.8 | -147.4 | -178.4 | 5.3 | 110.4 | ||||
| 136 | P | 40.1 | Very low | 30.9 | Very low | 112 Ų | 112 | 158 Ų | 158 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | -117 | -155.7 | -122.9 | 43.5 | -25.2 | 0 | 0 | 0 | 114.1 | |||||
| 137 | N | 25.5 | Very low | 30.9 | Very low | 141 Ų | 141 | 158.8 Ų | 158.8 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 96.6 | 128.5 | 161.7 | -117.3 | -1 | 0 | 0 | 0 | 113.5 | ||||
| 138 | K | 32.1 | Very low | 31.4 | Very low | 183 Ų | 183 | 159.2 Ų | 159.2 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | cis | -152.6 | 145.9 | 28.1 | -71.9 | 170.7 | 179 | 171.2 | 0 | 110.9 | ||||
| 139 | V | 32.7 | Very low | 31.6 | Very low | 121 Ų | 121 | 156 Ų | 156 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | -59.8 | 138.6 | 161.5 | 172 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 140 | K | 32.2 | Very low | 31 | Very low | 209 Ų | 209 | 157 Ų | 157 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -156.2 | 130.5 | 135.6 | -102.7 | 174.2 | -165.5 | -169.5 | 0 | 110.7 | ||||
| 141 | R | 30.9 | Very low | 31.1 | Very low | 232 Ų | 232 | 157 Ų | 157 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | trans | -67.5 | 139.6 | 178.9 | -87.9 | 170.2 | -102.1 | -158.1 | -7.5 | 111.4 | ||||
| 142 | G | 27.7 | Very low | 31.3 | Very low | 66 Ų | 66 | 156.9 Ų | 156.9 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | 80.9 | 144.6 | 113.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 143 | I | 31.1 | Very low | 31.8 | Very low | 169 Ų | 169 | 161 Ų | 161 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | 114.9 | 114 | 149.3 | -57 | 164.2 | 0 | 0 | 0 | 114.2 | ||||
| 144 | H | 31.5 | Very low | 32 | Very low | 181 Ų | 181 | 158 Ų | 158 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -47 | 140.9 | 164.1 | -62.8 | -105 | 0 | 0 | 0 | 113.1 | ||||
| 145 | S | 31.6 | Very low | 33 | Very low | 108 Ų | 108 | 161 Ų | 161 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -172.2 | 107.8 | 132.3 | 53 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 146 | R | 34.8 | Very low | 33.3 | Very low | 227 Ų | 227 | 155.2 Ų | 155.2 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | 9.9 | 114.2 | 135.8 | -164.2 | -179.3 | -166.1 | -171.8 | 4.6 | 116.7 | ||||
| 147 | V | 31.2 | Very low | 33.2 | Very low | 120 Ų | 120 | 159 Ų | 159 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -126 | 118.2 | 159.4 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | F149 | V147-F149 HydrophobicContact CG1-CD2 3.48Å; V147-F149 VanDerWaalsContact CG1-CD2 3.48Å; V147-F149 HydrophobicContact CG1-CE2 3.62Å | ||
| 148 | K | 41.6 | Very low | 33.6 | Very low | 168 Ų | 168 | 157.6 Ų | 157.6 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | -99.6 | 129.1 | 163.1 | -91.5 | -169.9 | 173.7 | -171.4 | 0 | 107.1 | ||||
| 149 | F | 31.3 | Very low | 34 | Very low | 174 Ų | 174 | 154.1 Ų | 154.1 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | -148.3 | 104.4 | 150.7 | -70.9 | -71.9 | 0 | 0 | 0 | 106.6 | V147 | V147-F149 HydrophobicContact CG1-CD2 3.48Å; V147-F149 VanDerWaalsContact CG1-CD2 3.48Å; V147-F149 HydrophobicContact CG1-CE2 3.62Å | ||
| 150 | Q | 29.6 | Very low | 34.6 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 63.9 | 106.8 | 98.3 | -69.2 | -164.2 | 42.2 | 0 | 0 | 111.7 | |||||
| 151 | S | 33.3 | Very low | 35.1 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 123.8 | 173.3 | 63.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 152 | E | 30.6 | Very low | 35.9 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 131.5 | 160.2 | -68.8 | -175.6 | -177.5 | 0 | 0 | 108.4 | ||
| 153 | E | 38.5 | Very low | 37 | Very low | 193 Ų | 193 | 154.1 Ų | 154.1 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 121.1 | -177.3 | -176.1 | 156.8 | -176.3 | 0 | 0 | 110.4 | ||
| 154 | S | 32.2 | Very low | 37.9 | Very low | 105 Ų | 105 | 154.4 Ų | 154.4 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -129.2 | 100.6 | 164 | 69.3 | 0 | 0 | 0 | 0 | 109.2 | S156 | S154-S156 PolarHBondContact O-N 3.42Å; S154-S156 VanDerWaalsContact O-N 3.13Å | ||
| 155 | E | 44.2 | Very low | 39.2 | Very low | 173 Ų | 173 | 151 Ų | 151 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -52.7 | 105.3 | 171.3 | -160.1 | 177.8 | -167.4 | 0 | 0 | 110.5 | ||||
| 156 | S | 35.8 | Very low | 40.4 | Very low | 99 Ų | 99 | 153.5 Ų | 153.5 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -141.7 | 103.6 | 158.3 | 58.7 | 0 | 0 | 0 | 0 | 108 | S154 P158 | S154-S156 PolarHBondContact O-N 3.42Å; S154-S156 VanDerWaalsContact O-N 3.13Å; S156-P158 WeakPolarHBondContact O-CD 3.39Å | ||
| 157 | K | 38.8 | Very low | 41.4 | Very low | 191 Ų | 191 | 148.1 Ų | 148.1 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | -63.5 | 122.9 | 171.7 | -75.4 | 168.1 | 176.4 | 160.3 | 0 | 108.9 | ||||
| 158 | P | 35.1 | Very low | 42.8 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | -83 | 133.9 | 143 | 31.7 | -27.4 | 0 | 0 | 0 | 107.9 | S156 S160 | S156-P158 WeakPolarHBondContact O-CD 3.39Å; P158-S160 VanDerWaalsContact C-N 3.25Å; P158-S160 PolarHBondContact O-N 3.16Å | ||
| 159 | A | 40.4 | Very low | 43.7 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | trans | -57.7 | 89.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 160 | S | 44.9 | Very low | 45.2 | Very low | 80 Ų | 80 | 144 Ų | 144 | 56% | 0.559 | 78% | 0.776 | S | S | * | * | trans | -111.2 | 60 | 170.3 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | P158 R162 | P158-S160 VanDerWaalsContact C-N 3.25Å; P158-S160 PolarHBondContact O-N 3.16Å; S160-R162 PolarHBondContact O-N 2.64Å | ||
| 161 | D | 43.2 | Very low | 47.1 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | trans | -83.1 | 43.8 | 157.1 | -166.9 | 23.1 | 0 | 0 | 0 | 109.7 | R163 | D161-R163 VanDerWaalsContact C-N 3.3Å; D161-R163 PolarHBondContact O-N 3.38Å | ||
| 162 | R | 47.1 | Very low | 48.9 | Very low | 216 Ų | 216 | 140.7 Ų | 140.7 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | trans | -85.9 | 90.7 | 155.3 | -79 | -173.3 | 169.8 | -171 | -4.6 | 104.6 | S160 H164 | S160-R162 PolarHBondContact O-N 2.64Å; R162-H164 PolarHBondContact O-N 3.37Å | ||
| 163 | R | 49.6 | Very low | 50.9 | Low | 201 Ų | 201 | 141.6 Ų | 141.6 | 76% | 0.758 | 74% | 0.74 | S | S | * | * | trans | -40.3 | 106.6 | 175.2 | -62.4 | -179.6 | -172.2 | -179.2 | 3 | 108.4 | D161 V165 | D161-R163 VanDerWaalsContact C-N 3.3Å; D161-R163 PolarHBondContact O-N 3.38Å; R163-V165 PolarHBondContact O-N 3.47Å | ||
| 164 | H | 51.8 | Low | 52.1 | Low | 175 Ų | 175 | 136.3 Ų | 136.3 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | trans | -65.3 | 90.3 | 164.9 | -76.2 | -81.7 | 0 | 0 | 0 | 105.6 | R162 Q166 | R162-H164 PolarHBondContact O-N 3.37Å; H164-Q166 PolarHBondContact O-N 2.93Å | ||
| 165 | V | 57 | Low | 53.9 | Low | 111 Ų | 111 | 132.5 Ų | 132.5 | 67% | 0.673 | 69% | 0.692 | S | S | * | * | trans | -62 | 113 | 172.3 | -178.6 | 0 | 0 | 0 | 0 | 105.3 | R163 | R163-V165 PolarHBondContact O-N 3.47Š| ||
| 166 | Q | 57.3 | Low | 55.1 | Low | 160 Ų | 160 | 125.7 Ų | 125.7 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | trans | -53.1 | 127.7 | 177.1 | -172.9 | 169.3 | 6.7 | 0 | 0 | 107.9 | H164 L168 | H164-Q166 PolarHBondContact O-N 2.93Å; Q166-L168 WeakPolarHBondContact O-CD1 3.48Å; Q166-L168 PolarHBondContact O-N 2.76Å | ||
| 167 | P | 56.1 | Low | 56.5 | Low | 113 Ų | 113 | 123.6 Ų | 123.6 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | trans | -63.9 | 106.3 | -178.2 | 22.6 | -30.3 | 0 | 0 | 0 | 108.6 | L169 | P167-L169 PolarHBondContact O-N 2.74Š| ||
| 168 | L | 61 | Low | 57.7 | Low | 107 Ų | 107 | 118.2 Ų | 118.2 | 56% | 0.56 | 63% | 0.631 | S | S | * | * | trans | -64.4 | 132.8 | 169.8 | -90 | 79.2 | 0 | 0 | 0 | 107.6 | Q166 G170 Y171 | Q166-L168 WeakPolarHBondContact O-CD1 3.48Å; Q166-L168 PolarHBondContact O-N 2.76Å; L168-G170 PolarHBondContact O-N 3.11Å; L168-Y171 HydrophobicContact CB-CD2 3.89Å; L168-Y171 HydrophobicContact CB-CG 4.43Å; L168-Y171 PolarHBondContact O-N 3.18Å | ||
| 169 | L | 59.6 | Low | 59.2 | Low | 191 Ų | 191 | 117.5 Ų | 117.5 | 100% | 1 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 107.1 | 177.3 | -172.4 | 69.9 | 0 | 0 | 0 | 109.3 | P167 | P167-L169 PolarHBondContact O-N 2.74Š|
| 170 | G | 63.3 | Low | 60.4 | Low | 79 Ų | 79 | 116.9 Ų | 116.9 | 81% | 0.814 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.4 | -10.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | L168 | L168-G170 PolarHBondContact O-N 3.11Š|
| 171 | Y | 69 | Low | 61.1 | Low | 139 Ų | 139 | 117 Ų | 117 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | trans | -84.1 | 109.8 | 162.5 | -94.6 | -101.8 | 0 | 0 | 0 | 108.1 | L168 A175 | L168-Y171 HydrophobicContact CB-CD2 3.89Å; L168-Y171 HydrophobicContact CB-CG 4.43Å; L168-Y171 PolarHBondContact O-N 3.18Å; Y171-A175 HydrophobicContact CD1-CB 4Å; Y171-A175 HydrophobicContact CE1-CB 4.45Å | ||
| 172 | D | 71.9 | Confident | 61.6 | Low | 86 Ų | 86 | 116 Ų | 116 | 46% | 0.46 | 59% | 0.593 | S | S | . | * | trans | -70.4 | 151.7 | 172.1 | 63.2 | 2.3 | 0 | 0 | 0 | 109.9 | I174 A175 G176 | D172-I174 PolarHBondContact O-N 3.24Å; D172-A175 PolarHBondContact O-N 2.83Å; D172-A175 WeakPolarHBondContact OD1-CB 3.41Å; D172-A175 PolarHBondContact OD1-N 3.37Å; D172-G176 PolarHBondContact O-N 2.81Å; D172-G176 VanDerWaalsContact O-N 3.1Å | ||
| 173 | W | 71.6 | Confident | 62 | Low | 203 Ų | 203 | 110.7 Ų | 110.7 | 77% | 0.769 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -54.8 | -25 | 177 | 66 | -71.8 | 0 | 0 | 0 | 112.3 | G176 V177 | W173-G176 PolarHBondContact O-N 3.27Å; W173-V177 WeakPolarHBondContact O-CB 3.37Å; W173-V177 VanDerWaalsContact O-CG2 3.24Å; W173-V177 WeakPolarHBondContact O-CG2 3.37Å; W173-V177 PolarHBondContact O-N 3.05Å |
| 174 | I | 63.6 | Low | 62.3 | Low | 82 Ų | 82 | 105.9 Ų | 105.9 | 42% | 0.421 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68 | -48.8 | 175.6 | -56.2 | 175.5 | 0 | 0 | 0 | 110.1 | D172 G176 V177 L178 | D172-I174 PolarHBondContact O-N 3.24Å; I174-G176 VanDerWaalsContact C-N 3.31Å; I174-G176 PolarHBondContact O-N 2.9Å; I174-V177 PolarHBondContact O-N 3.28Å; I174-L178 HydrophobicContact CG2-CD1 3.98Å; I174-L178 HydrophobicContact CG2-CG 4.43Å; I174-L178 WeakPolarHBondContact O-CB 3.48Å; I174-L178 VanDerWaalsContact O-CG 3.24Å; I174-L178 WeakPolarHBondContact O-CG 3.48Å; I174-L178 PolarHBondContact O-N 3.23Å |
| 175 | A | 70.6 | Confident | 62.7 | Low | 24 Ų | 24 | 102.3 Ų | 102.3 | 20% | 0.198 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -59.4 | -42.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y171 D172 V177 L178 D179 | Y171-A175 HydrophobicContact CD1-CB 4Å; Y171-A175 HydrophobicContact CE1-CB 4.45Å; D172-A175 PolarHBondContact O-N 2.83Å; D172-A175 WeakPolarHBondContact OD1-CB 3.41Å; D172-A175 PolarHBondContact OD1-N 3.37Å; A175-V177 VanDerWaalsContact C-N 3.33Å; A175-V177 PolarHBondContact O-N 3.25Å; A175-L178 PolarHBondContact O-N 2.97Å; A175-D179 WeakPolarHBondContact O-CB 3.45Å; A175-D179 PolarHBondContact O-N 3.14Å |
| 176 | G | 69.6 | Low | 63 | Low | 31 Ų | 31 | 105.5 Ų | 105.5 | 32% | 0.32 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.8 | -34.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | D172 W173 I174 T180 | D172-G176 PolarHBondContact O-N 2.81Å; D172-G176 VanDerWaalsContact O-N 3.1Å; W173-G176 PolarHBondContact O-N 3.27Å; I174-G176 VanDerWaalsContact C-N 3.31Å; I174-G176 PolarHBondContact O-N 2.9Å; G176-T180 VanDerWaalsContact O-CG2 3.31Å; G176-T180 WeakPolarHBondContact O-CG2 3.26Å; G176-T180 PolarHBondContact O-N 3.43Å; G176-T180 PolarHBondContact O-OG1 2.76Å |
| 177 | V | 65.9 | Low | 63.8 | Low | 55 Ų | 55 | 101.3 Ų | 101.3 | 33% | 0.333 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -73.7 | -43.8 | 174 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | W173 I174 A175 D179 T180 E181 | W173-V177 WeakPolarHBondContact O-CB 3.37Å; W173-V177 VanDerWaalsContact O-CG2 3.24Å; W173-V177 WeakPolarHBondContact O-CG2 3.37Å; W173-V177 PolarHBondContact O-N 3.05Å; I174-V177 PolarHBondContact O-N 3.28Å; A175-V177 VanDerWaalsContact C-N 3.33Å; A175-V177 PolarHBondContact O-N 3.25Å; V177-D179 PolarHBondContact O-N 3.06Å; V177-T180 WeakPolarHBondContact CA-OG1 3.38Å; V177-T180 PolarHBondContact O-N 3.16Å; V177-T180 PolarHBondContact O-OG1 3.09Å; V177-T180 VanDerWaalsContact O-OG1 3.06Å; V177-E181 VanDerWaalsContact CG1-CD 3.44Å; V177-E181 HydrophobicContact CG1-CG 4.02Å; V177-E181 WeakPolarHBondContact O-CB 3.2Å; V177-E181 VanDerWaalsContact O-CG 3.26Å; V177-E181 WeakPolarHBondContact O-CG 3.31Å; V177-E181 PolarHBondContact O-N 2.93Å |
| 178 | L | 63.4 | Low | 65 | Low | 78 Ų | 78 | 99.2 Ų | 99.2 | 41% | 0.408 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 177.3 | -69.2 | 171.6 | 0 | 0 | 0 | 111.9 | I174 A175 T180 E181 D182 L185 | I174-L178 HydrophobicContact CG2-CD1 3.98Å; I174-L178 HydrophobicContact CG2-CG 4.43Å; I174-L178 WeakPolarHBondContact O-CB 3.48Å; I174-L178 VanDerWaalsContact O-CG 3.24Å; I174-L178 WeakPolarHBondContact O-CG 3.48Å; I174-L178 PolarHBondContact O-N 3.23Å; A175-L178 PolarHBondContact O-N 2.97Å; L178-T180 PolarHBondContact O-N 2.94Å; L178-E181 CarbonylContact O-C 3.57Å; L178-E181 PolarHBondContact O-N 3.02Å; L178-D182 PolarHBondContact O-N 2.87Å; L178-L185 HydrophobicContact CD2-CD1 3.71Å |
| 179 | D | 65.4 | Low | 65.8 | Low | 96 Ų | 96 | 100.3 Ų | 100.3 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.3 | -21.6 | 179.9 | -66.3 | -21.5 | 0 | 0 | 0 | 113.1 | A175 V177 | A175-D179 WeakPolarHBondContact O-CB 3.45Å; A175-D179 PolarHBondContact O-N 3.14Å; V177-D179 PolarHBondContact O-N 3.06Å |
| 180 | T | 66.3 | Low | 67 | Low | 98 Ų | 98 | 98.1 Ų | 98.1 | 60% | 0.601 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -96 | -19.2 | 176.6 | 52.5 | 0 | 0 | 0 | 0 | 113 | G176 V177 L178 | G176-T180 VanDerWaalsContact O-CG2 3.31Å; G176-T180 WeakPolarHBondContact O-CG2 3.26Å; G176-T180 PolarHBondContact O-N 3.43Å; G176-T180 PolarHBondContact O-OG1 2.76Å; V177-T180 WeakPolarHBondContact CA-OG1 3.38Å; V177-T180 PolarHBondContact O-N 3.16Å; V177-T180 PolarHBondContact O-OG1 3.09Å; V177-T180 VanDerWaalsContact O-OG1 3.06Å; L178-T180 PolarHBondContact O-N 2.94Å |
| 181 | E | 59.4 | Low | 68.1 | Low | 81 Ų | 81 | 98.7 Ų | 98.7 | 38% | 0.379 | 51% | 0.511 | S | S | . | . | trans | -109.7 | 17.5 | -176.5 | -64.1 | -169.6 | 178.1 | 0 | 0 | 113.6 | V177 L178 S183 L184 L185 | V177-E181 VanDerWaalsContact CG1-CD 3.44Å; V177-E181 HydrophobicContact CG1-CG 4.02Å; V177-E181 WeakPolarHBondContact O-CB 3.2Å; V177-E181 VanDerWaalsContact O-CG 3.26Å; V177-E181 WeakPolarHBondContact O-CG 3.31Å; V177-E181 PolarHBondContact O-N 2.93Å; L178-E181 CarbonylContact O-C 3.57Å; L178-E181 PolarHBondContact O-N 3.02Å; E181-S183 PolarHBondContact O-N 2.79Å; E181-L184 HydrophobicContact CB-CB 4.26Å; E181-L184 HydrophobicContact CB-CD1 4.06Å; E181-L184 HydrophobicContact CG-CD1 3.85Å; E181-L184 WeakPolarHBondContact O-CA 3.32Å; E181-L184 WeakPolarHBondContact O-CB 3.49Å; E181-L184 PolarHBondContact O-N 3.06Å; E181-L185 PolarHBondContact O-N 3.21Å | ||
| 182 | D | 53.2 | Low | 68.9 | Low | 110 Ų | 110 | 96.5 Ų | 96.5 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -27.5 | 175.5 | -89.7 | -21.2 | 0 | 0 | 0 | 112.9 | L178 | L178-D182 PolarHBondContact O-N 2.87Š|
| 183 | S | 56.8 | Low | 69.7 | Low | 104 Ų | 104 | 97.2 Ų | 97.2 | 73% | 0.727 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -18.7 | 174.8 | -41.4 | 0 | 0 | 0 | 0 | 114.8 | E181 | E181-S183 PolarHBondContact O-N 2.79Š|
| 184 | L | 56.2 | Low | 70.6 | Confident | 100 Ų | 100 | 91.6 Ų | 91.6 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -13.6 | 179.6 | -67.7 | 172.3 | 0 | 0 | 0 | 112.8 | E181 H187 | E181-L184 HydrophobicContact CB-CB 4.26Å; E181-L184 HydrophobicContact CB-CD1 4.06Å; E181-L184 HydrophobicContact CG-CD1 3.85Å; E181-L184 WeakPolarHBondContact O-CA 3.32Å; E181-L184 WeakPolarHBondContact O-CB 3.49Å; E181-L184 PolarHBondContact O-N 3.06Å; L184-H187 PolarHBondContact O-CD2 3.44Å |
| 185 | L | 59.6 | Low | 71.8 | Confident | 100 Ų | 100 | 90.1 Ų | 90.1 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -89.6 | -14.2 | -177.3 | -65.8 | 174.9 | 0 | 0 | 0 | 113.8 | L178 E181 | L178-L185 HydrophobicContact CD2-CD1 3.71Å; E181-L185 PolarHBondContact O-N 3.21Å |
| 186 | E | 63.2 | Low | 72.4 | Confident | 179 Ų | 179 | 92.2 Ų | 92.2 | 84% | 0.836 | 50% | 0.499 | S | S | * | . | trans | -117.5 | 66.1 | -179 | -158.7 | 168.8 | -150.2 | 0 | 0 | 111.6 | ||||
| 187 | H | 74.9 | Confident | 73.4 | Confident | 71 Ų | 71 | 98.4 Ų | 98.4 | 33% | 0.329 | 51% | 0.512 | S | S | . | . | trans | -98.9 | 145.7 | 164.6 | -65.6 | -55.1 | 0 | 0 | 0 | 110.2 | L184 F191 F192 | L184-H187 PolarHBondContact O-CD2 3.44Å; H187-F191 HydrophobicContact CB-CB 4.14Å; H187-F191 HydrophobicContact CB-CD1 3.5Å; H187-F191 HydrophobicContact CB-CE1 4.12Å; H187-F191 HydrophobicContact CB-CG 3.97Å; H187-F191 AromaticContact CD2-CE1 3.83Å; H187-F191 AromaticContact CG-CD1 3.77Å; H187-F191 AromaticContact CG-CE1 3.92Å; H187-F192 HydrophobicContact CB-CE2 3.79Å; H187-F192 HydrophobicContact CB-CZ 4.01Å | ||
| 188 | S | 79.6 | Confident | 74.6 | Confident | 69 Ų | 69 | 101.8 Ų | 101.8 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | trans | -65.9 | 155.3 | 177.5 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | E190 F191 F192 | S188-E190 PolarHBondContact O-N 2.91Å; S188-E190 VanDerWaalsContact O-N 3.14Å; S188-F191 WeakPolarHBondContact O-CB 3.24Å; S188-F191 PolarHBondContact O-N 3.49Å; S188-F191 PolarHBondContact OG-N 2.88Å; S188-F192 WeakPolarHBondContact O-CD2 3.49Å; S188-F192 PolarHBondContact O-N 3.1Å | ||
| 189 | D | 79 | Confident | 75.9 | Confident | 130 Ų | 130 | 105 Ų | 105 | 70% | 0.695 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.9 | -26.9 | 174.7 | -70.2 | -23.3 | 0 | 0 | 0 | 112 | F192 N193 | D189-F192 PolarHBondContact O-N 3.26Å; D189-N193 WeakPolarHBondContact O-CB 3.47Å; D189-N193 PolarHBondContact O-N 3.36Å; D189-N193 PolarHBondContact O-ND2 3.3Å |
| 190 | E | 85.4 | Confident | 76.9 | Confident | 146 Ų | 146 | 105.3 Ų | 105.3 | 68% | 0.682 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 173.8 | -65.3 | 179.3 | 174.2 | 0 | 0 | 112.1 | S188 F192 N193 D194 | S188-E190 PolarHBondContact O-N 2.91Å; S188-E190 VanDerWaalsContact O-N 3.14Å; E190-F192 VanDerWaalsContact C-N 3.32Å; E190-F192 PolarHBondContact O-N 2.94Å; E190-N193 PolarHBondContact O-N 2.97Å; E190-D194 WeakPolarHBondContact O-CB 3.24Å; E190-D194 PolarHBondContact O-N 3.37Å |
| 191 | F | 86.4 | Confident | 78 | Confident | 91 Ų | 91 | 106.2 Ų | 106.2 | 40% | 0.399 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.7 | 172.1 | -95.8 | 0 | 0 | 0 | 111.6 | H187 S188 D194 L195 | H187-F191 HydrophobicContact CB-CB 4.14Å; H187-F191 HydrophobicContact CB-CD1 3.5Å; H187-F191 HydrophobicContact CB-CE1 4.12Å; H187-F191 HydrophobicContact CB-CG 3.97Å; H187-F191 AromaticContact CD2-CE1 3.83Å; H187-F191 AromaticContact CG-CD1 3.77Å; H187-F191 AromaticContact CG-CE1 3.92Å; S188-F191 WeakPolarHBondContact O-CB 3.24Å; S188-F191 PolarHBondContact O-N 3.49Å; S188-F191 PolarHBondContact OG-N 2.88Å; F191-D194 PolarHBondContact O-N 3.03Å; F191-L195 HydrophobicContact CZ-CD1 4.36Å; F191-L195 WeakPolarHBondContact O-CB 3.38Å; F191-L195 PolarHBondContact O-N 2.91Å |
| 192 | F | 85.9 | Confident | 79.1 | Confident | 92 Ų | 92 | 104 Ų | 104 | 40% | 0.404 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.1 | -34 | 177.8 | -68.5 | -69.5 | 0 | 0 | 0 | 112.5 | H187 S188 D189 E190 L195 C196 | H187-F192 HydrophobicContact CB-CE2 3.79Å; H187-F192 HydrophobicContact CB-CZ 4.01Å; S188-F192 WeakPolarHBondContact O-CD2 3.49Å; S188-F192 PolarHBondContact O-N 3.1Å; D189-F192 PolarHBondContact O-N 3.26Å; E190-F192 VanDerWaalsContact C-N 3.32Å; E190-F192 PolarHBondContact O-N 2.94Å; F192-L195 PolarHBondContact O-N 3.43Å; F192-C196 WeakPolarHBondContact O-CB 3.44Å; F192-C196 PolarHBondContact O-N 3.17Å; F192-C196 PolarHBondContact O-SG 3.17Å |
| 193 | N | 86.9 | Confident | 80.5 | Confident | 101 Ų | 101 | 104.7 Ų | 104.7 | 54% | 0.54 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 173.7 | -78.2 | -41.2 | 0 | 0 | 0 | 111.9 | D189 E190 C196 R197 | D189-N193 WeakPolarHBondContact O-CB 3.47Å; D189-N193 PolarHBondContact O-N 3.36Å; D189-N193 PolarHBondContact O-ND2 3.3Å; E190-N193 PolarHBondContact O-N 2.97Å; N193-C196 WeakPolarHBondContact O-CB 3.48Å; N193-C196 PolarHBondContact O-N 3.18Å; N193-R197 WeakPolarHBondContact O-CG 3.12Å; N193-R197 PolarHBondContact O-N 2.81Å |
| 194 | D | 90.9 | Very high | 81.5 | Confident | 85 Ų | 85 | 105.2 Ų | 105.2 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.1 | -37.8 | 175.7 | -79.1 | -11.5 | 0 | 0 | 0 | 111.9 | E190 F191 C196 R197 F198 | E190-D194 WeakPolarHBondContact O-CB 3.24Å; E190-D194 PolarHBondContact O-N 3.37Å; F191-D194 PolarHBondContact O-N 3.03Å; D194-C196 VanDerWaalsContact C-N 3.34Å; D194-C196 PolarHBondContact O-N 2.89Å; D194-R197 PolarHBondContact O-N 2.81Å; D194-R197 IonicContact OD1-CZ 3.63Å; D194-R197 IonicContact OD1-NH1 2.78Å; D194-R197 PolarHBondContact OD1-NH1 2.86Å; D194-F198 VanDerWaalsContact O-CB 3.29Å; D194-F198 WeakPolarHBondContact O-CB 3.42Å; D194-F198 PolarHBondContact O-N 3.03Å |
| 195 | L | 88.8 | Confident | 82.6 | Confident | 52 Ų | 52 | 107.5 Ų | 107.5 | 27% | 0.272 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 171.4 | -164.1 | 101 | 0 | 0 | 0 | 111.7 | F191 F192 F198 R199 | F191-L195 HydrophobicContact CZ-CD1 4.36Å; F191-L195 WeakPolarHBondContact O-CB 3.38Å; F191-L195 PolarHBondContact O-N 2.91Å; F192-L195 PolarHBondContact O-N 3.43Å; L195-F198 PolarHBondContact O-N 3.05Å; L195-R199 WeakPolarHBondContact O-CB 3.13Å; L195-R199 WeakPolarHBondContact O-CG 3.44Å; L195-R199 PolarHBondContact O-N 2.88Å |
| 196 | C | 84.2 | Confident | 83.1 | Confident | 68 Ų | 68 | 105.8 Ų | 105.8 | 46% | 0.459 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 174.5 | -73.6 | 0 | 0 | 0 | 0 | 111.1 | F192 N193 D194 F198 R199 L200 | F192-C196 WeakPolarHBondContact O-CB 3.44Å; F192-C196 PolarHBondContact O-N 3.17Å; F192-C196 PolarHBondContact O-SG 3.17Å; N193-C196 WeakPolarHBondContact O-CB 3.48Å; N193-C196 PolarHBondContact O-N 3.18Å; D194-C196 VanDerWaalsContact C-N 3.34Å; D194-C196 PolarHBondContact O-N 2.89Å; C196-F198 PolarHBondContact O-N 3.38Å; C196-R199 PolarHBondContact O-N 2.97Å; C196-L200 WeakPolarHBondContact O-CB 3.13Å; C196-L200 WeakPolarHBondContact O-CD1 3.28Å; C196-L200 VanDerWaalsContact O-CG 3.26Å; C196-L200 WeakPolarHBondContact O-CG 3.43Å; C196-L200 PolarHBondContact O-N 2.95Å |
| 197 | R | 90 | Very high | 83.5 | Confident | 161 Ų | 161 | 102.1 Ų | 102.1 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.4 | -45.1 | 175.2 | -78.1 | 170 | 51.1 | -159.9 | -0.2 | 111.7 | N193 D194 R199 L200 V201 | N193-R197 WeakPolarHBondContact O-CG 3.12Å; N193-R197 PolarHBondContact O-N 2.81Å; D194-R197 PolarHBondContact O-N 2.81Å; D194-R197 IonicContact OD1-CZ 3.63Å; D194-R197 IonicContact OD1-NH1 2.78Å; D194-R197 PolarHBondContact OD1-NH1 2.86Å; R197-R199 VanDerWaalsContact C-N 3.34Å; R197-R199 PolarHBondContact O-N 3.29Å; R197-L200 WeakPolarHBondContact O-CB 3.48Å; R197-L200 PolarHBondContact O-N 3.45Å; R197-L200 VanDerWaalsContact O-N 3.15Å; R197-V201 WeakPolarHBondContact O-CG2 3.47Å; R197-V201 PolarHBondContact O-N 3.49Å |
| 198 | F | 91.7 | Very high | 82.5 | Confident | 126 Ų | 126 | 107.2 Ų | 107.2 | 55% | 0.553 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.9 | -45.8 | 177.8 | 177.2 | -94.3 | 0 | 0 | 0 | 111.5 | D194 L195 C196 L200 V201 N202 | D194-F198 VanDerWaalsContact O-CB 3.29Å; D194-F198 WeakPolarHBondContact O-CB 3.42Å; D194-F198 PolarHBondContact O-N 3.03Å; L195-F198 PolarHBondContact O-N 3.05Å; C196-F198 PolarHBondContact O-N 3.38Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 2.89Å; F198-V201 PolarHBondContact O-N 2.92Å; F198-N202 WeakPolarHBondContact CE2-ND2 3.25Å; F198-N202 WeakPolarHBondContact O-CB 3.43Å; F198-N202 PolarHBondContact O-N 3.08Å; F198-N202 PolarHBondContact O-ND2 2.95Å |
| 199 | R | 89.6 | Confident | 81.4 | Confident | 146 Ų | 146 | 108.7 Ų | 108.7 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.8 | -29.7 | 176.1 | -71.8 | 176.4 | 172.7 | 173.5 | -0.5 | 113.3 | L195 C196 R197 N202 K203 | L195-R199 WeakPolarHBondContact O-CB 3.13Å; L195-R199 WeakPolarHBondContact O-CG 3.44Å; L195-R199 PolarHBondContact O-N 2.88Å; C196-R199 PolarHBondContact O-N 2.97Å; R197-R199 VanDerWaalsContact C-N 3.34Å; R197-R199 PolarHBondContact O-N 3.29Å; R199-N202 CarbonylContact O-C 3.59Å; R199-K203 WeakPolarHBondContact O-CA 3.37Å; R199-K203 WeakPolarHBondContact O-CG 3.35Å; R199-K203 PolarHBondContact O-N 3.06Å |
| 200 | L | 86.2 | Confident | 79.8 | Confident | 102 Ų | 102 | 103.8 Ų | 103.8 | 53% | 0.534 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.5 | -34.4 | 175 | -80.4 | 158.6 | 0 | 0 | 0 | 112.5 | C196 R197 F198 K203 | C196-L200 WeakPolarHBondContact O-CB 3.13Å; C196-L200 WeakPolarHBondContact O-CD1 3.28Å; C196-L200 VanDerWaalsContact O-CG 3.26Å; C196-L200 WeakPolarHBondContact O-CG 3.43Å; C196-L200 PolarHBondContact O-N 2.95Å; R197-L200 WeakPolarHBondContact O-CB 3.48Å; R197-L200 PolarHBondContact O-N 3.45Å; R197-L200 VanDerWaalsContact O-N 3.15Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 2.89Å; L200-K203 WeakPolarHBondContact O-CD 3.27Å; L200-K203 VanDerWaalsContact O-CE 3.24Å; L200-K203 WeakPolarHBondContact O-CE 3.01Å; L200-K203 VanDerWaalsContact O-CG 3.3Å; L200-K203 WeakPolarHBondContact O-CG 3.26Å |
| 201 | V | 90.1 | Very high | 77.8 | Confident | 116 Ų | 116 | 101.5 Ų | 101.5 | 70% | 0.703 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -79.6 | -35.9 | 177.8 | 173.7 | 0 | 0 | 0 | 0 | 111 | R197 F198 | R197-V201 WeakPolarHBondContact O-CG2 3.47Å; R197-V201 PolarHBondContact O-N 3.49Å; F198-V201 PolarHBondContact O-N 2.92Å |
| 202 | N | 82.9 | Confident | 76 | Confident | 35 Ų | 35 | 102.6 Ų | 102.6 | 19% | 0.187 | 55% | 0.549 | C | S | . | . | S | Bend | trans | -108.1 | 42.3 | -177.7 | -57.5 | -79.9 | 0 | 0 | 0 | 111.9 | F198 R199 D204 Q205 C206 | F198-N202 WeakPolarHBondContact CE2-ND2 3.25Å; F198-N202 WeakPolarHBondContact O-CB 3.43Å; F198-N202 PolarHBondContact O-N 3.08Å; F198-N202 PolarHBondContact O-ND2 2.95Å; R199-N202 CarbonylContact O-C 3.59Å; N202-D204 VanDerWaalsContact C-N 3.28Å; N202-D204 PolarHBondContact O-N 3.14Å; N202-Q205 PolarHBondContact O-N 3.38Å; N202-C206 VanDerWaalsContact O-CB 3.27Å; N202-C206 WeakPolarHBondContact O-CB 3.46Å; N202-C206 PolarHBondContact O-N 2.77Å; N202-C206 PolarHBondContact O-SG 2.85Å |
| 203 | K | 82.4 | Confident | 73.7 | Confident | 124 Ų | 124 | 106.1 Ų | 106.1 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.9 | -39.8 | -175.2 | -76.2 | 172.5 | -178.8 | 180 | 0 | 112.6 | R199 L200 Q205 C206 V207 | R199-K203 WeakPolarHBondContact O-CA 3.37Å; R199-K203 WeakPolarHBondContact O-CG 3.35Å; R199-K203 PolarHBondContact O-N 3.06Å; L200-K203 WeakPolarHBondContact O-CD 3.27Å; L200-K203 VanDerWaalsContact O-CE 3.24Å; L200-K203 WeakPolarHBondContact O-CE 3.01Å; L200-K203 VanDerWaalsContact O-CG 3.3Å; L200-K203 WeakPolarHBondContact O-CG 3.26Å; K203-Q205 VanDerWaalsContact C-N 3.33Å; K203-C206 PolarHBondContact O-N 2.75Å; K203-V207 WeakPolarHBondContact O-CG2 3.22Å; K203-V207 PolarHBondContact O-N 2.95Å |
| 204 | D | 77.9 | Confident | 71.4 | Confident | 116 Ų | 116 | 106 Ų | 106 | 62% | 0.62 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.8 | -33 | 178.8 | 59.1 | -41.5 | 0 | 0 | 0 | 113 | N202 | N202-D204 VanDerWaalsContact C-N 3.28Å; N202-D204 PolarHBondContact O-N 3.14Å |
| 205 | Q | 78.3 | Confident | 69.2 | Low | 148 Ų | 148 | 110.6 Ų | 110.6 | 69% | 0.692 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -91.7 | -25 | 177 | -60.9 | 178.7 | 29.9 | 0 | 0 | 113 | N202 K203 V207 | N202-Q205 PolarHBondContact O-N 3.38Å; K203-Q205 VanDerWaalsContact C-N 3.33Å; Q205-V207 VanDerWaalsContact C-N 3.32Å |
| 206 | C | 71.8 | Confident | 67.1 | Low | 63 Ų | 63 | 115.6 Ų | 115.6 | 43% | 0.426 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -78.1 | -17.9 | 177.2 | -69.7 | 0 | 0 | 0 | 0 | 113 | N202 K203 | N202-C206 VanDerWaalsContact O-CB 3.27Å; N202-C206 WeakPolarHBondContact O-CB 3.46Å; N202-C206 PolarHBondContact O-N 2.77Å; N202-C206 PolarHBondContact O-SG 2.85Å; K203-C206 PolarHBondContact O-N 2.75Å |
| 207 | V | 70.3 | Confident | 65 | Low | 102 Ų | 102 | 119.3 Ų | 119.3 | 62% | 0.618 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -93.8 | 108.3 | 167.3 | -178.8 | 0 | 0 | 0 | 0 | 106.7 | K203 Q205 S209 | K203-V207 WeakPolarHBondContact O-CG2 3.22Å; K203-V207 PolarHBondContact O-N 2.95Å; Q205-V207 VanDerWaalsContact C-N 3.32Å; V207-S209 PolarHBondContact O-N 3.2Å |
| 208 | H | 54 | Low | 62.5 | Low | 178 Ų | 178 | 116.8 Ų | 116.8 | 82% | 0.824 | 64% | 0.64 | S | S | * | * | trans | -67.4 | 85.4 | 168.5 | -172.2 | 76.8 | 0 | 0 | 0 | 108.5 | G210 | H208-G210 PolarHBondContact CD2-N 2.89Å; H208-G210 WeakPolarHBondContact NE2-CA 3.33Å; H208-G210 PolarHBondContact O-N 3.26Å | ||
| 209 | S | 55.9 | Low | 60.1 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | trans | -75 | 62 | 159.1 | 60.6 | 0 | 0 | 0 | 0 | 107.8 | V207 | V207-S209 PolarHBondContact O-N 3.2Š| ||
| 210 | G | 45.8 | Very low | 57.8 | Low | 26 Ų | 26 | 119.8 Ų | 119.8 | 27% | 0.268 | 66% | 0.659 | S | S | . | * | trans | -56.2 | 135.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | H208 A212 | H208-G210 PolarHBondContact CD2-N 2.89Å; H208-G210 WeakPolarHBondContact NE2-CA 3.33Å; H208-G210 PolarHBondContact O-N 3.26Å; G210-A212 PolarHBondContact O-N 3.31Å; G210-A212 VanDerWaalsContact O-N 3.16Å | ||
| 211 | P | 44.5 | Very low | 55.5 | Low | 99 Ų | 99 | 124.3 Ų | 124.3 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | trans | -55.5 | 130.3 | 167.7 | 25.5 | -30.7 | 0 | 0 | 0 | 106.2 | K213 | P211-K213 HydrophobicContact CB-CD 4.44Å; P211-K213 HydrophobicContact CB-CG 4.33Å; P211-K213 PolarHBondContact O-N 3.19Å | ||
| 212 | A | 47.6 | Very low | 52.6 | Low | 113 Ų | 113 | 129.9 Ų | 129.9 | 93% | 0.934 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -60.9 | 74.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G210 | G210-A212 PolarHBondContact O-N 3.31Å; G210-A212 VanDerWaalsContact O-N 3.16Å |
| 213 | K | 38.1 | Very low | 50.4 | Low | 167 Ų | 167 | 133.5 Ų | 133.5 | 73% | 0.726 | 71% | 0.708 | S | S | * | * | trans | -126.4 | 105 | 174.1 | -76.9 | -176.2 | 178 | 176.5 | 0 | 105.6 | P211 | P211-K213 HydrophobicContact CB-CD 4.44Å; P211-K213 HydrophobicContact CB-CG 4.33Å; P211-K213 PolarHBondContact O-N 3.19Å | ||
| 214 | S | 37.7 | Very low | 48.3 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | trans | 47 | 100.3 | 160.4 | 52.8 | 0 | 0 | 0 | 0 | 116.1 | E216 | S214-E216 PolarHBondContact O-N 3.42Š| ||
| 215 | L | 46 | Very low | 46.5 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 96% | 0.958 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -53.7 | 76.7 | 149.4 | -169.3 | 162 | 0 | 0 | 0 | 109.2 | ||
| 216 | E | 43.4 | Very low | 44.3 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | -151.1 | 40.7 | 177.8 | -150.1 | -174.2 | -155.4 | 0 | 0 | 111.5 | S214 | S214-E216 PolarHBondContact O-N 3.42Š| ||
| 217 | D | 41 | Very low | 42.4 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -166.6 | 44.3 | 163.8 | -108.9 | -19.6 | 0 | 0 | 0 | 114.1 | H219 | D217-H219 IonicContact OD1-CD2 3.81Å; D217-H219 IonicContact OD1-NE2 2.65Å | ||
| 218 | S | 37.1 | Very low | 40.7 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -118.1 | 66.1 | 169.6 | -153.7 | 0 | 0 | 0 | 0 | 110.2 | F220 | S218-F220 PolarHBondContact O-N 3.48Š| ||
| 219 | H | 40.8 | Very low | 39.8 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 73% | 0.731 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 46.9 | 178.1 | -75.7 | -70.3 | 0 | 0 | 0 | 114.2 | D217 | D217-H219 IonicContact OD1-CD2 3.81Å; D217-H219 IonicContact OD1-NE2 2.65Å |
| 220 | F | 41.5 | Very low | 39.1 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 77% | 0.772 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | 1.9 | 176.8 | -76.7 | -68.2 | 0 | 0 | 0 | 116.7 | S218 | S218-F220 PolarHBondContact O-N 3.48Š|
| 221 | F | 39.3 | Very low | 39 | Very low | 197 Ų | 197 | 149.4 Ų | 149.4 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -144.6 | 89.6 | 170.9 | -62.4 | -78.6 | 0 | 0 | 0 | 111.2 | ||||
| 222 | R | 28.7 | Very low | 38.8 | Very low | 233 Ų | 233 | 149.1 Ų | 149.1 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -123.1 | 102.4 | 165.6 | -171.4 | 176.2 | -178.2 | 177 | 0.4 | 109.2 | L224 | R222-L224 PolarHBondContact O-N 3.45Š| ||
| 223 | P | 37.2 | Very low | 39 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | trans | -65.3 | 123.6 | 160.6 | -17.6 | 31.9 | 0 | 0 | 0 | 108.6 | L225 | P223-L225 PolarHBondContact O-N 2.81Š| ||
| 224 | L | 36.7 | Very low | 39.7 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -63.4 | 109.5 | 168.3 | -85.6 | 143.7 | 0 | 0 | 0 | 108.6 | R222 | R222-L224 PolarHBondContact O-N 3.45Š| ||
| 225 | L | 39.9 | Very low | 40.6 | Very low | 162 Ų | 162 | 148.3 Ų | 148.3 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -119.3 | 118 | 158.9 | -68.2 | 179.4 | 0 | 0 | 0 | 108.4 | P223 | P223-L225 PolarHBondContact O-N 2.81Š| ||
| 226 | T | 33.1 | Very low | 41.6 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -58.2 | 135.4 | 163.6 | 34.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 227 | D | 32.8 | Very low | 43 | Very low | 141 Ų | 141 | 139 Ų | 139 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | 4.2 | 139.8 | 144.8 | -107.8 | 0.6 | 0 | 0 | 0 | 116.8 | ||||
| 228 | D | 33 | Very low | 44.6 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | cis | -171.1 | 162.1 | 19.7 | -146.6 | -20.5 | 0 | 0 | 0 | 108.2 | ||||
| 229 | S | 36 | Very low | 46.5 | Very low | 96 Ų | 96 | 133.6 Ų | 133.6 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | trans | 88.5 | 115.5 | 163.7 | 83.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 230 | K | 41.5 | Very low | 48.2 | Very low | 184 Ų | 184 | 128.5 Ų | 128.5 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 85.3 | 121.8 | 153.2 | -59.6 | 177.7 | -175.5 | 178.1 | 0 | 118.2 | A232 | K230-A232 PolarHBondContact O-N 3.08Š|
| 231 | E | 42.8 | Very low | 50 | Low | 173 Ų | 173 | 120.3 Ų | 120.3 | 81% | 0.808 | 64% | 0.642 | S | S | * | * | trans | 12.7 | 81.4 | 175 | -80.7 | 77.4 | -171 | 0 | 0 | 115.8 | N233 | E231-N233 PolarHBondContact O-N 3.37Š| ||
| 232 | A | 41.2 | Very low | 51.8 | Low | 93 Ų | 93 | 113.5 Ų | 113.5 | 77% | 0.769 | 62% | 0.619 | S | S | * | * | trans | -65.4 | 104.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | K230 I234 | K230-A232 PolarHBondContact O-N 3.08Å; A232-I234 PolarHBondContact O-N 2.99Å | ||
| 233 | N | 50.6 | Low | 54.3 | Low | 139 Ų | 139 | 103.6 Ų | 103.6 | 74% | 0.743 | 58% | 0.582 | S | S | * | * | trans | -36.6 | 112.6 | 163.3 | -83.9 | -79.1 | 0 | 0 | 0 | 109.8 | E231 D235 | E231-N233 PolarHBondContact O-N 3.37Å; N233-D235 PolarHBondContact O-N 2.73Å | ||
| 234 | I | 53.7 | Low | 56.4 | Low | 174 Ų | 174 | 106.7 Ų | 106.7 | 89% | 0.892 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 12.7 | 179.1 | -37.6 | 177.2 | 0 | 0 | 0 | 111.2 | A232 | A232-I234 PolarHBondContact O-N 2.99Š|
| 235 | D | 55.8 | Low | 58.5 | Low | 47 Ų | 47 | 100.9 Ų | 100.9 | 25% | 0.251 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -157.7 | 40.8 | -165.8 | -148.7 | 25.6 | 0 | 0 | 0 | 114.4 | N233 H237 C263 R265 | N233-D235 PolarHBondContact O-N 2.73Å; D235-H237 VanDerWaalsContact CG-CE1 3.47Å; D235-H237 PolarHBondContact O-N 3.2Å; D235-H237 IonicContact OD1-CE1 3.58Å; D235-H237 PolarHBondContact OD1-CE1 3.23Å; D235-H237 IonicContact OD1-CG 2.65Å; D235-H237 IonicContact OD1-ND1 3.99Å; D235-H237 PolarHBondContact OD1-ND1 2.87Å; D235-H237 IonicContact OD2-CE1 3.94Å; D235-H237 PolarHBondContact OD2-CE1 2.99Å; D235-H237 IonicContact OD2-ND1 3.54Å; D235-C263 WeakPolarHBondContact OD2-CB 3.29Å; D235-R265 IonicContact OD2-CZ 2.65Å; D235-R265 IonicContact OD2-NH1 2.9Å; D235-R265 PolarHBondContact OD2-NH1 2.96Å; D235-R265 IonicContact OD2-NH2 3.9Å; D235-R265 PolarHBondContact OD2-NH2 3.31Å |
| 236 | A | 67.1 | Low | 60.4 | Low | 99 Ų | 99 | 95.8 Ų | 95.8 | 82% | 0.818 | 52% | 0.522 | S | S | * | . | trans | -79.2 | 47.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 237 | H | 73.1 | Confident | 62.5 | Low | 47 Ų | 47 | 95.4 Ų | 95.4 | 22% | 0.218 | 52% | 0.524 | C | S | . | . | trans | -91.8 | 142.7 | 167 | 74.1 | -71.3 | 0 | 0 | 0 | 108.9 | D235 C239 C260 V262 C263 | D235-H237 VanDerWaalsContact CG-CE1 3.47Å; D235-H237 PolarHBondContact O-N 3.2Å; D235-H237 IonicContact OD1-CE1 3.58Å; D235-H237 PolarHBondContact OD1-CE1 3.23Å; D235-H237 IonicContact OD1-CG 2.65Å; D235-H237 IonicContact OD1-ND1 3.99Å; D235-H237 PolarHBondContact OD1-ND1 2.87Å; D235-H237 IonicContact OD2-CE1 3.94Å; D235-H237 PolarHBondContact OD2-CE1 2.99Å; D235-H237 IonicContact OD2-ND1 3.54Å; H237-C239 PolarHBondContact NE2-SG 3.31Å; H237-C239 VanDerWaalsContact NE2-SG 3.45Å; H237-C239 PolarHBondContact O-N 3.43Å; H237-C239 VanDerWaalsContact O-N 3.14Å; H237-C260 PolarHBondContact NE2-SG 2.98Å; H237-C260 VanDerWaalsContact NE2-SG 3.43Å; H237-V262 HydrophobicContact CB-CG1 4.43Å; H237-C263 WeakPolarHBondContact CE1-CB 3.35Å; H237-C263 PolarHBondContact CE1-SG 3.3Å; H237-C263 PolarHBondContact NE2-SG 3.38Å | ||
| 238 | Q | 74.6 | Confident | 64.8 | Low | 120 Ų | 120 | 98.1 Ų | 98.1 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | trans | -72 | 109.8 | 173.5 | -169.7 | 168 | 22.2 | 0 | 0 | 109.1 | T240 L279 | Q238-T240 PolarHBondContact O-N 3.05Å; Q238-T240 PolarHBondContact O-OG1 3.45Å; Q238-L279 HydrophobicContact CG-CD1 4.17Å; Q238-L279 HydrophobicContact CG-CG 4.48Å; Q238-L279 VanDerWaalsContact NE2-CD1 3.27Å; Q238-L279 VanDerWaalsContact OE1-CD1 3.23Å | ||
| 239 | C | 77.3 | Confident | 67.1 | Low | 20 Ų | 20 | 98.2 Ų | 98.2 | 14% | 0.135 | 52% | 0.524 | C | S | . | . | trans | -58.4 | 113.7 | 178.8 | -76.4 | 0 | 0 | 0 | 0 | 110.3 | H237 F241 C260 | H237-C239 PolarHBondContact NE2-SG 3.31Å; H237-C239 VanDerWaalsContact NE2-SG 3.45Å; H237-C239 PolarHBondContact O-N 3.43Å; H237-C239 VanDerWaalsContact O-N 3.14Å; C239-F241 HydrophobicContact CB-CE2 3.85Å; C239-F241 HydrophobicContact CB-CZ 4.03Å; C239-C260 HydrophobicContact CB-CB 4.28Å | ||
| 240 | T | 75.8 | Confident | 69.2 | Low | 50 Ų | 50 | 99.7 Ų | 99.7 | 31% | 0.307 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 133.9 | 176.2 | -54.9 | 0 | 0 | 0 | 0 | 109.9 | Q238 P261 R281 | Q238-T240 PolarHBondContact O-N 3.05Å; Q238-T240 PolarHBondContact O-OG1 3.45Å; T240-P261 WeakPolarHBondContact O-CD 3.31Å; T240-R281 HydrophobicContact CG2-CB 4.44Å |
| 241 | F | 79.6 | Confident | 71.1 | Confident | 5 Ų | 5 | 94.9 Ų | 94.9 | 2% | 0.022 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.2 | 178 | -58.9 | -86.4 | 0 | 0 | 0 | 110.3 | C239 Y243 E258 C260 K267 H272 A278 L279 | C239-F241 HydrophobicContact CB-CE2 3.85Å; C239-F241 HydrophobicContact CB-CZ 4.03Å; F241-Y243 HydrophobicContact CB-CD2 4.41Å; F241-Y243 HydrophobicContact CB-CE2 3.71Å; F241-E258 WeakPolarHBondContact CE1-O 3.4Å; F241-C260 HydrophobicContact CE1-CB 4.46Å; F241-K267 HydrophobicContact CD1-CB 4.03Å; F241-K267 HydrophobicContact CE1-CB 3.71Å; F241-K267 HydrophobicContact CZ-CB 4.06Å; F241-H272 AromaticContact CE2-CE1 3.48Å; F241-H272 VanDerWaalsContact CE2-CE1 3.48Å; F241-H272 WeakPolarHBondContact CE2-CE1 3.44Å; F241-H272 AromaticContact CE2-NE2 3.51Å; F241-A278 HydrophobicContact CD2-CB 4.25Å; F241-L279 PolarHBondContact N-O 3.03Å |
| 242 | S | 78.1 | Confident | 73 | Confident | 53 Ų | 53 | 89.9 Ų | 89.9 | 37% | 0.371 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.5 | -175 | -54 | 0 | 0 | 0 | 0 | 111.5 | F254 | S242-F254 PolarHBondContact O-N 3.11Å; S242-F254 VanDerWaalsContact O-N 3.14Å |
| 243 | Y | 80.7 | Confident | 74.9 | Confident | 26 Ų | 26 | 87.7 Ų | 87.7 | 10% | 0.102 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 142 | 177.9 | -67.2 | -94.1 | 0 | 0 | 0 | 110.2 | F241 P251 V252 P253 K267 I280 | F241-Y243 HydrophobicContact CB-CD2 4.41Å; F241-Y243 HydrophobicContact CB-CE2 3.71Å; Y243-P251 HydrophobicContact CD1-CB 4.05Å; Y243-P251 HydrophobicContact CG-CB 4.24Å; Y243-V252 CarbonylContact C-O 3.1Å; Y243-V252 WeakPolarHBondContact CA-O 3.3Å; Y243-P253 HydrophobicContact CD1-CG 4.32Å; Y243-P253 HydrophobicContact CE1-CG 4Å; Y243-K267 WeakPolarHBondContact OH-CD 3.49Å; Y243-K267 VanDerWaalsContact OH-CE 3.27Å; Y243-K267 WeakPolarHBondContact OH-CE 3.17Å; Y243-I280 HydrophobicContact CD2-CB 4.27Å; Y243-I280 HydrophobicContact CD2-CD1 4.09Å; Y243-I280 HydrophobicContact CD2-CG1 3.92Å; Y243-I280 HydrophobicContact CD2-CG2 3.5Å; Y243-I280 VanDerWaalsContact CD2-CG2 3.5Å; Y243-I280 HydrophobicContact CE2-CD1 3.91Å; Y243-I280 HydrophobicContact CE2-CG1 3.84Å; Y243-I280 HydrophobicContact CE2-CG2 4.31Å; Y243-I280 HydrophobicContact CG-CG2 4.19Å |
| 244 | R | 80.7 | Confident | 76 | Confident | 175 Ų | 175 | 87.4 Ų | 87.4 | 66% | 0.66 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 133.3 | 166.8 | -179.5 | 177.2 | 177.5 | 179.8 | 1.2 | 108.9 | V252 F254 | R244-V252 PolarHBondContact N-O 2.76Å; R244-V252 PolarHBondContact O-N 2.65Å; R244-F254 HydrophobicContact CB-CD2 4.4Å |
| 245 | I | 80.8 | Confident | 76.8 | Confident | 46 Ų | 46 | 84.7 Ų | 84.7 | 24% | 0.236 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 128.2 | 171.4 | -69.3 | -173.2 | 0 | 0 | 0 | 109.5 | L249 V282 L284 | I245-L249 HydrophobicContact CG2-CB 4.37Å; I245-L249 HydrophobicContact CG2-CD2 3.89Å; I245-V282 HydrophobicContact CD1-CB 4.48Å; I245-V282 HydrophobicContact CD1-CG1 3.37Å; I245-V282 HydrophobicContact CD1-CG2 4.38Å; I245-V282 HydrophobicContact CG1-CG1 3.65Å; I245-L284 HydrophobicContact CB-CD2 4.11Å; I245-L284 HydrophobicContact CD1-CD2 4.02Å; I245-L284 HydrophobicContact CG2-CD2 4.35Å |
| 246 | N | 79.9 | Confident | 77.3 | Confident | 55 Ų | 55 | 88.6 Ų | 88.6 | 29% | 0.294 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 174 | 175.6 | 73.8 | 12.5 | 0 | 0 | 0 | 112.1 | R248 L249 F250 V252 | N246-R248 PolarHBondContact O-N 3.45Å; N246-R248 VanDerWaalsContact O-N 3.08Å; N246-R248 VanDerWaalsContact OD1-C 3.26Å; N246-R248 WeakPolarHBondContact OD1-CA 3.48Å; N246-R248 PolarHBondContact OD1-N 3.34Å; N246-L249 PolarHBondContact O-N 3.14Å; N246-L249 PolarHBondContact OD1-N 3.03Å; N246-L249 VanDerWaalsContact OD1-N 3.08Å; N246-F250 PolarHBondContact N-O 2.65Å; N246-F250 PolarHBondContact OD1-N 2.99Å; N246-F250 PolarHBondContact OD1-O 3.15Å; N246-V252 HydrophobicContact CB-CG2 4.08Å |
| 247 | S | 76.6 | Confident | 77.4 | Confident | 128 Ų | 128 | 90.5 Ų | 90.5 | 90% | 0.895 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -16.2 | 179.6 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 248 | R | 82.8 | Confident | 77.4 | Confident | 199 Ų | 199 | 91.3 Ų | 91.3 | 75% | 0.751 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 13.1 | 175 | -64.5 | -176.9 | 178.7 | -173.1 | -0.5 | 112.7 | N246 F250 | N246-R248 PolarHBondContact O-N 3.45Å; N246-R248 VanDerWaalsContact O-N 3.08Å; N246-R248 VanDerWaalsContact OD1-C 3.26Å; N246-R248 WeakPolarHBondContact OD1-CA 3.48Å; N246-R248 PolarHBondContact OD1-N 3.34Å; R248-F250 VanDerWaalsContact C-N 3.29Å; R248-F250 HydrophobicContact CB-CD2 3.61Å; R248-F250 HydrophobicContact CB-CE2 3.72Å; R248-F250 WeakPolarHBondContact O-CD2 3.26Å; R248-F250 PolarHBondContact O-N 2.79Å |
| 249 | L | 79.8 | Confident | 77.6 | Confident | 134 Ų | 134 | 87.5 Ų | 87.5 | 70% | 0.702 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 65.2 | 21 | 180 | -55.7 | 176.1 | 0 | 0 | 0 | 115.9 | I245 N246 | I245-L249 HydrophobicContact CG2-CB 4.37Å; I245-L249 HydrophobicContact CG2-CD2 3.89Å; N246-L249 PolarHBondContact O-N 3.14Å; N246-L249 PolarHBondContact OD1-N 3.03Å; N246-L249 VanDerWaalsContact OD1-N 3.08Å |
| 250 | F | 80.5 | Confident | 77.7 | Confident | 127 Ų | 127 | 86.7 Ų | 86.7 | 56% | 0.557 | 45% | 0.448 | S | S | * | . | trans | -91.2 | 138.4 | 172.9 | -61.4 | -77.7 | 0 | 0 | 0 | 111.7 | N246 R248 V252 | N246-F250 PolarHBondContact N-O 2.65Å; N246-F250 PolarHBondContact OD1-N 2.99Å; N246-F250 PolarHBondContact OD1-O 3.15Å; R248-F250 VanDerWaalsContact C-N 3.29Å; R248-F250 HydrophobicContact CB-CD2 3.61Å; R248-F250 HydrophobicContact CB-CE2 3.72Å; R248-F250 WeakPolarHBondContact O-CD2 3.26Å; R248-F250 PolarHBondContact O-N 2.79Å; F250-V252 PolarHBondContact O-N 3.41Å | ||
| 251 | P | 80.9 | Confident | 77.8 | Confident | 83 Ų | 83 | 89.1 Ų | 89.1 | 54% | 0.539 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 125.7 | 173.1 | 29 | -32.5 | 0 | 0 | 0 | 110.3 | Y243 | Y243-P251 HydrophobicContact CD1-CB 4.05Å; Y243-P251 HydrophobicContact CG-CB 4.24Å |
| 252 | V | 83.1 | Confident | 77.6 | Confident | 68 Ų | 68 | 93.6 Ų | 93.6 | 41% | 0.412 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131 | 175.4 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | Y243 R244 N246 F250 F254 | Y243-V252 CarbonylContact C-O 3.1Å; Y243-V252 WeakPolarHBondContact CA-O 3.3Å; R244-V252 PolarHBondContact N-O 2.76Å; R244-V252 PolarHBondContact O-N 2.65Å; N246-V252 HydrophobicContact CB-CG2 4.08Å; F250-V252 PolarHBondContact O-N 3.41Å; V252-F254 PolarHBondContact O-N 3.2Å |
| 253 | P | 81.4 | Confident | 77.7 | Confident | 46 Ų | 46 | 92.4 Ų | 92.4 | 30% | 0.299 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 134.4 | 177.5 | -27.1 | 34.3 | 0 | 0 | 0 | 112.2 | Y243 E258 | Y243-P253 HydrophobicContact CD1-CG 4.32Å; Y243-P253 HydrophobicContact CE1-CG 4Å; P253-E258 HydrophobicContact CB-CG 3.93Å; P253-E258 HydrophobicContact CG-CG 3.83Å; P253-E258 WeakPolarHBondContact CG-OE1 3.21Å |
| 254 | F | 73.8 | Confident | 77.5 | Confident | 134 Ų | 134 | 99.4 Ų | 99.4 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -73 | -35.1 | 178.6 | -171.7 | -84.3 | 0 | 0 | 0 | 112 | S242 R244 V252 | S242-F254 PolarHBondContact O-N 3.11Å; S242-F254 VanDerWaalsContact O-N 3.14Å; R244-F254 HydrophobicContact CB-CD2 4.4Å; V252-F254 PolarHBondContact O-N 3.2Å |
| 255 | H | 69.9 | Low | 77.3 | Confident | 117 Ų | 117 | 96.6 Ų | 96.6 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -112.3 | 146.1 | 176.3 | -58.5 | 95 | 0 | 0 | 0 | 109.7 | Q257 | H255-Q257 PolarHBondContact O-N 2.78Š|
| 256 | S | 68.1 | Low | 77.1 | Confident | 128 Ų | 128 | 97.9 Ų | 97.9 | 90% | 0.895 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -62.5 | -21.4 | 179.1 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 257 | Q | 68.4 | Low | 76.7 | Confident | 140 Ų | 140 | 98.5 Ų | 98.5 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -105.6 | 109.9 | 170 | -71.3 | 172 | -3.7 | 0 | 0 | 106.9 | H255 C259 | H255-Q257 PolarHBondContact O-N 2.78Å; Q257-C259 PolarHBondContact O-N 2.92Å |
| 258 | E | 73.9 | Confident | 76.5 | Confident | 64 Ų | 64 | 97.3 Ų | 97.3 | 30% | 0.299 | 50% | 0.5 | S | S | . | . | trans | -69.1 | 64.7 | 178.3 | -59.4 | -176.3 | 178.5 | 0 | 0 | 110.8 | F241 P253 H266 K267 | F241-E258 WeakPolarHBondContact CE1-O 3.4Å; P253-E258 HydrophobicContact CB-CG 3.93Å; P253-E258 HydrophobicContact CG-CG 3.83Å; P253-E258 WeakPolarHBondContact CG-OE1 3.21Å; E258-H266 CarbonylContact O-C 3.59Å; E258-H266 WeakPolarHBondContact O-CA 3.4Å; E258-H266 PolarHBondContact O-CD2 2.9Å; E258-K267 HydrophobicContact CB-CB 4.17Å; E258-K267 PolarHBondContact O-N 3.27Å | ||
| 259 | C | 78 | Confident | 76 | Confident | 39 Ų | 39 | 91.7 Ų | 91.7 | 26% | 0.264 | 49% | 0.492 | S | S | . | . | B | Isolated β-bridge | trans | -112.7 | 146.7 | -172.5 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | Q257 R265 | Q257-C259 PolarHBondContact O-N 2.92Å; C259-R265 VanDerWaalsContact CA-O 3.28Å; C259-R265 WeakPolarHBondContact CA-O 3.46Å |
| 260 | C | 79.3 | Confident | 75.3 | Confident | 3 Ų | 3 | 88.6 Ų | 88.6 | 2% | 0.02 | 47% | 0.474 | C | S | . | . | trans | -66 | 135.7 | 170 | -178.3 | 0 | 0 | 0 | 0 | 110 | H237 C239 F241 V262 K264 R265 | H237-C260 PolarHBondContact NE2-SG 2.98Å; H237-C260 VanDerWaalsContact NE2-SG 3.43Å; C239-C260 HydrophobicContact CB-CB 4.28Å; F241-C260 HydrophobicContact CE1-CB 4.46Å; C260-V262 PolarHBondContact O-N 3.5Å; C260-K264 WeakPolarHBondContact O-CA 3.43Å; C260-K264 PolarHBondContact O-N 3.22Å; C260-R265 PolarHBondContact N-O 3.1Å | ||
| 261 | P | 76.8 | Confident | 74.4 | Confident | 102 Ų | 102 | 87.2 Ų | 87.2 | 66% | 0.662 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -21.2 | 178.6 | 26.3 | -35 | 0 | 0 | 0 | 113.6 | T240 | T240-P261 WeakPolarHBondContact O-CD 3.31Š|
| 262 | V | 77.2 | Confident | 73.7 | Confident | 99 Ų | 99 | 86 Ų | 86 | 60% | 0.6 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -59.3 | -176.1 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | H237 C260 | H237-V262 HydrophobicContact CB-CG1 4.43Å; C260-V262 PolarHBondContact O-N 3.5Å |
| 263 | C | 78.6 | Confident | 72.9 | Confident | 28 Ų | 28 | 86.8 Ų | 86.8 | 19% | 0.189 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -3.6 | -178.1 | 61.6 | 0 | 0 | 0 | 0 | 115.6 | D235 H237 R265 | D235-C263 WeakPolarHBondContact OD2-CB 3.29Å; H237-C263 WeakPolarHBondContact CE1-CB 3.35Å; H237-C263 PolarHBondContact CE1-SG 3.3Å; H237-C263 PolarHBondContact NE2-SG 3.38Å; C263-R265 HydrophobicContact CB-CG 4.15Å; C263-R265 PolarHBondContact O-N 2.93Å |
| 264 | K | 78 | Confident | 72.1 | Confident | 173 Ų | 173 | 89.7 Ų | 89.7 | 75% | 0.752 | 50% | 0.497 | S | S | * | . | trans | 57.4 | 12 | -176 | -55.7 | 177.3 | -179.1 | 176 | 0 | 114.4 | C260 | C260-K264 WeakPolarHBondContact O-CA 3.43Å; C260-K264 PolarHBondContact O-N 3.22Å | ||
| 265 | R | 75.4 | Confident | 71.6 | Confident | 115 Ų | 115 | 87.6 Ų | 87.6 | 43% | 0.434 | 50% | 0.504 | S | S | . | . | trans | -70.7 | 137.7 | 174.5 | -66.1 | -168.3 | -169.9 | 101.1 | 12.8 | 110 | D235 C259 C260 C263 | D235-R265 IonicContact OD2-CZ 2.65Å; D235-R265 IonicContact OD2-NH1 2.9Å; D235-R265 PolarHBondContact OD2-NH1 2.96Å; D235-R265 IonicContact OD2-NH2 3.9Å; D235-R265 PolarHBondContact OD2-NH2 3.31Å; C259-R265 VanDerWaalsContact CA-O 3.28Å; C259-R265 WeakPolarHBondContact CA-O 3.46Å; C260-R265 PolarHBondContact N-O 3.1Å; C263-R265 HydrophobicContact CB-CG 4.15Å; C263-R265 PolarHBondContact O-N 2.93Å | ||
| 266 | H | 76.4 | Confident | 71.4 | Confident | 73 Ų | 73 | 87.5 Ų | 87.5 | 34% | 0.338 | 50% | 0.504 | S | S | . | . | B | Isolated β-bridge | trans | -74.7 | 148.2 | 177.2 | -169.7 | -105.6 | 0 | 0 | 0 | 111 | E258 S268 S269 | E258-H266 CarbonylContact O-C 3.59Å; E258-H266 WeakPolarHBondContact O-CA 3.4Å; E258-H266 PolarHBondContact O-CD2 2.9Å; H266-S268 VanDerWaalsContact ND1-CB 3.35Å; H266-S268 WeakPolarHBondContact ND1-CB 3.26Å; H266-S268 PolarHBondContact ND1-N 3.34Å; H266-S268 VanDerWaalsContact ND1-N 3.11Å; H266-S268 PolarHBondContact ND1-OG 2.85Å; H266-S268 PolarHBondContact O-N 2.97Å; H266-S269 VanDerWaalsContact O-CB 3.26Å; H266-S269 WeakPolarHBondContact O-CB 3.42Å; H266-S269 PolarHBondContact O-N 2.83Å |
| 267 | K | 72.1 | Confident | 71.3 | Confident | 69 Ų | 69 | 85.1 Ų | 85.1 | 30% | 0.3 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -54.2 | -36 | 176.4 | -179.3 | 164.9 | 176.7 | -74 | 0 | 113.5 | F241 Y243 E258 S269 H270 | F241-K267 HydrophobicContact CD1-CB 4.03Å; F241-K267 HydrophobicContact CE1-CB 3.71Å; F241-K267 HydrophobicContact CZ-CB 4.06Å; Y243-K267 WeakPolarHBondContact OH-CD 3.49Å; Y243-K267 VanDerWaalsContact OH-CE 3.27Å; Y243-K267 WeakPolarHBondContact OH-CE 3.17Å; E258-K267 HydrophobicContact CB-CB 4.17Å; E258-K267 PolarHBondContact O-N 3.27Å; K267-S269 PolarHBondContact O-N 3.25Å; K267-H270 PolarHBondContact O-N 3.04Å; K267-H270 VanDerWaalsContact O-O 3.09Å |
| 268 | S | 72.4 | Confident | 71.3 | Confident | 102 Ų | 102 | 79.7 Ų | 79.7 | 71% | 0.713 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -69.4 | -17.2 | 177.5 | 71.8 | 0 | 0 | 0 | 0 | 114 | H266 | H266-S268 VanDerWaalsContact ND1-CB 3.35Å; H266-S268 WeakPolarHBondContact ND1-CB 3.26Å; H266-S268 PolarHBondContact ND1-N 3.34Å; H266-S268 VanDerWaalsContact ND1-N 3.11Å; H266-S268 PolarHBondContact ND1-OG 2.85Å; H266-S268 PolarHBondContact O-N 2.97Å |
| 269 | S | 71.6 | Confident | 71 | Confident | 81 Ų | 81 | 80.4 Ų | 80.4 | 57% | 0.566 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -81.6 | -19.4 | 179.9 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | H266 K267 | H266-S269 VanDerWaalsContact O-CB 3.26Å; H266-S269 WeakPolarHBondContact O-CB 3.42Å; H266-S269 PolarHBondContact O-N 2.83Å; K267-S269 PolarHBondContact O-N 3.25Å |
| 270 | H | 65.8 | Low | 70.7 | Confident | 70 Ų | 70 | 82.7 Ų | 82.7 | 32% | 0.324 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -112.8 | 113.3 | 177.3 | -155.6 | 68.8 | 0 | 0 | 0 | 109.8 | K267 H272 E276 | K267-H270 PolarHBondContact O-N 3.04Å; K267-H270 VanDerWaalsContact O-O 3.09Å; H270-H272 AromaticContact CD2-CE1 3.98Å; H270-H272 AromaticContact CD2-ND1 3.82Å; H270-H272 PolarHBondContact O-N 2.68Å; H270-E276 IonicContact CE1-OE2 3.34Å; H270-E276 IonicContact NE2-OE2 3.41Å; H270-E276 PolarHBondContact NE2-OE2 3.43Å |
| 271 | P | 61.9 | Low | 70.4 | Confident | 97 Ų | 97 | 91.9 Ų | 91.9 | 63% | 0.63 | 51% | 0.513 | S | S | * | . | trans | -71 | 96.7 | 173.3 | 28.6 | -30.8 | 0 | 0 | 0 | 108.7 | T273 | P271-T273 VanDerWaalsContact C-N 3.33Å; P271-T273 PolarHBondContact O-N 3.31Å; P271-T273 PolarHBondContact O-OG1 3.38Å; P271-T273 VanDerWaalsContact O-OG1 3.1Å | ||
| 272 | H | 66.3 | Low | 70.2 | Confident | 58 Ų | 58 | 89.9 Ų | 89.9 | 27% | 0.269 | 50% | 0.499 | S | S | . | . | trans | -61.3 | 96.7 | 172.1 | -59.1 | -55.2 | 0 | 0 | 0 | 109.3 | F241 H270 A278 | F241-H272 AromaticContact CE2-CE1 3.48Å; F241-H272 VanDerWaalsContact CE2-CE1 3.48Å; F241-H272 WeakPolarHBondContact CE2-CE1 3.44Å; F241-H272 AromaticContact CE2-NE2 3.51Å; H270-H272 AromaticContact CD2-CE1 3.98Å; H270-H272 AromaticContact CD2-ND1 3.82Å; H270-H272 PolarHBondContact O-N 2.68Å; H272-A278 HydrophobicContact CB-CB 4.21Å; H272-A278 VanDerWaalsContact CE1-CB 3.46Å; H272-A278 WeakPolarHBondContact CE1-CB 3.31Å; H272-A278 VanDerWaalsContact CG-CB 3.42Å; H272-A278 VanDerWaalsContact ND1-CB 3.33Å; H272-A278 WeakPolarHBondContact ND1-CB 3.41Å | ||
| 273 | T | 66.5 | Low | 69.9 | Low | 85 Ų | 85 | 89.8 Ų | 89.8 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | trans | -91.9 | 160 | 179.1 | -55.7 | 0 | 0 | 0 | 0 | 108.3 | P271 A275 E276 | P271-T273 VanDerWaalsContact C-N 3.33Å; P271-T273 PolarHBondContact O-N 3.31Å; P271-T273 PolarHBondContact O-OG1 3.38Å; P271-T273 VanDerWaalsContact O-OG1 3.1Å; T273-A275 PolarHBondContact O-N 2.95Å; T273-E276 CarbonylContact O-C 3.6Å; T273-E276 PolarHBondContact O-N 2.98Å | ||
| 274 | A | 62.8 | Low | 69.5 | Low | 106 Ų | 106 | 92.6 Ų | 92.6 | 88% | 0.876 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 275 | A | 63.5 | Low | 69.3 | Low | 90 Ų | 90 | 87.9 Ų | 87.9 | 74% | 0.744 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -24.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T273 | T273-A275 PolarHBondContact O-N 2.95Š|
| 276 | E | 66.4 | Low | 68.9 | Low | 116 Ų | 116 | 92.9 Ų | 92.9 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -134.4 | 75.5 | -179.6 | -69 | -173 | -179.4 | 0 | 0 | 110.4 | H270 T273 | H270-E276 IonicContact CE1-OE2 3.34Å; H270-E276 IonicContact NE2-OE2 3.41Å; H270-E276 PolarHBondContact NE2-OE2 3.43Å; T273-E276 CarbonylContact O-C 3.6Å; T273-E276 PolarHBondContact O-N 2.98Å |
| 277 | P | 66.8 | Low | 68.5 | Low | 77 Ų | 77 | 93.6 Ų | 93.6 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 139.3 | -179.2 | 27.7 | -33.9 | 0 | 0 | 0 | 110.9 | L279 | P277-L279 PolarHBondContact O-N 3.04Š|
| 278 | A | 66.7 | Low | 68.3 | Low | 26 Ų | 26 | 96.1 Ų | 96.1 | 22% | 0.215 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -66.1 | 119.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109 | F241 H272 | F241-A278 HydrophobicContact CD2-CB 4.25Å; H272-A278 HydrophobicContact CB-CB 4.21Å; H272-A278 VanDerWaalsContact CE1-CB 3.46Å; H272-A278 WeakPolarHBondContact CE1-CB 3.31Å; H272-A278 VanDerWaalsContact CG-CB 3.42Å; H272-A278 VanDerWaalsContact ND1-CB 3.33Å; H272-A278 WeakPolarHBondContact ND1-CB 3.41Å |
| 279 | L | 69.7 | Low | 68.4 | Low | 79 Ų | 79 | 96.1 Ų | 96.1 | 41% | 0.414 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 128.9 | 170.9 | -63.9 | -176.9 | 0 | 0 | 0 | 109.6 | Q238 F241 P277 | Q238-L279 HydrophobicContact CG-CD1 4.17Å; Q238-L279 HydrophobicContact CG-CG 4.48Å; Q238-L279 VanDerWaalsContact NE2-CD1 3.27Å; Q238-L279 VanDerWaalsContact OE1-CD1 3.23Å; F241-L279 PolarHBondContact N-O 3.03Å; P277-L279 PolarHBondContact O-N 3.04Å |
| 280 | I | 70.7 | Confident | 68.2 | Low | 87 Ų | 87 | 99 Ų | 99 | 45% | 0.446 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.9 | 119.1 | 178.7 | -63.9 | 172.1 | 0 | 0 | 0 | 108.4 | Y243 V282 | Y243-I280 HydrophobicContact CD2-CB 4.27Å; Y243-I280 HydrophobicContact CD2-CD1 4.09Å; Y243-I280 HydrophobicContact CD2-CG1 3.92Å; Y243-I280 HydrophobicContact CD2-CG2 3.5Å; Y243-I280 VanDerWaalsContact CD2-CG2 3.5Å; Y243-I280 HydrophobicContact CE2-CD1 3.91Å; Y243-I280 HydrophobicContact CE2-CG1 3.84Å; Y243-I280 HydrophobicContact CE2-CG2 4.31Å; Y243-I280 HydrophobicContact CG-CG2 4.19Å; I280-V282 HydrophobicContact CG2-CG2 3.83Å |
| 281 | R | 72.9 | Confident | 68.3 | Low | 196 Ų | 196 | 100.9 Ų | 100.9 | 74% | 0.74 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 124.5 | 170.4 | -173.3 | 176.1 | 177.5 | -178.7 | 0.2 | 109.3 | T240 | T240-R281 HydrophobicContact CG2-CB 4.44Å |
| 282 | V | 72.4 | Confident | 68.6 | Low | 61 Ų | 61 | 100.5 Ų | 100.5 | 37% | 0.37 | 58% | 0.579 | S | S | . | * | trans | -117.8 | 128 | 175.8 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | I245 I280 L284 | I245-V282 HydrophobicContact CD1-CB 4.48Å; I245-V282 HydrophobicContact CD1-CG1 3.37Å; I245-V282 HydrophobicContact CD1-CG2 4.38Å; I245-V282 HydrophobicContact CG1-CG1 3.65Å; I280-V282 HydrophobicContact CG2-CG2 3.83Å; V282-L284 HydrophobicContact CG1-CD2 4.35Å; V282-L284 HydrophobicContact CG1-CG 3.99Å | ||
| 283 | S | 70.4 | Confident | 68.6 | Low | 96 Ų | 96 | 107 Ų | 107 | 67% | 0.671 | 60% | 0.603 | S | S | * | * | trans | -104.1 | 118 | 167.6 | 57.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 284 | L | 71.8 | Confident | 68.7 | Low | 87 Ų | 87 | 111.5 Ų | 111.5 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | trans | -108.5 | 119.1 | 176.2 | -72.5 | 170.2 | 0 | 0 | 0 | 109.4 | I245 V282 R286 I289 | I245-L284 HydrophobicContact CB-CD2 4.11Å; I245-L284 HydrophobicContact CD1-CD2 4.02Å; I245-L284 HydrophobicContact CG2-CD2 4.35Å; V282-L284 HydrophobicContact CG1-CD2 4.35Å; V282-L284 HydrophobicContact CG1-CG 3.99Å; L284-R286 PolarHBondContact O-N 2.98Å; L284-I289 HydrophobicContact CB-CD1 4.12Å; L284-I289 HydrophobicContact CB-CG1 4.37Å | ||
| 285 | P | 72.3 | Confident | 68.9 | Low | 74 Ų | 74 | 114.7 Ų | 114.7 | 48% | 0.481 | 61% | 0.606 | S | S | . | * | trans | -59.2 | 135 | 173.3 | -20.5 | 31.3 | 0 | 0 | 0 | 110.3 | A287 N288 I289 | P285-A287 PolarHBondContact O-N 2.94Å; P285-A287 VanDerWaalsContact O-N 3.16Å; P285-N288 WeakPolarHBondContact O-CB 3.47Å; P285-N288 PolarHBondContact O-N 3.43Å; P285-I289 PolarHBondContact O-N 3.07Å | ||
| 286 | R | 66.9 | Low | 69.3 | Low | 220 Ų | 220 | 119.2 Ų | 119.2 | 83% | 0.83 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -55.3 | -33.3 | 176.4 | -82.2 | -178 | 163.7 | 177.2 | -3.7 | 112.3 | L284 N288 I289 | L284-R286 PolarHBondContact O-N 2.98Å; R286-N288 PolarHBondContact O-N 3.12Å; R286-I289 CarbonylContact O-C 3.58Å; R286-I289 PolarHBondContact O-N 3.5Å; R286-I289 VanDerWaalsContact O-N 3.09Å |
| 287 | A | 69.2 | Low | 69.7 | Low | 88 Ų | 88 | 115.9 Ų | 115.9 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -59.9 | -27.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | P285 | P285-A287 PolarHBondContact O-N 2.94Å; P285-A287 VanDerWaalsContact O-N 3.16Å |
| 288 | N | 67.4 | Low | 69.8 | Low | 122 Ų | 122 | 120.7 Ų | 120.7 | 65% | 0.652 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -87.7 | -18.6 | 178.1 | -67.8 | -2 | 0 | 0 | 0 | 112.5 | P285 R286 L290 | P285-N288 WeakPolarHBondContact O-CB 3.47Å; P285-N288 PolarHBondContact O-N 3.43Å; R286-N288 PolarHBondContact O-N 3.12Å; N288-L290 VanDerWaalsContact C-N 3.28Å; N288-L290 PolarHBondContact O-N 3.37Å; N288-L290 VanDerWaalsContact O-N 3.17Å |
| 289 | I | 73.8 | Confident | 69.7 | Low | 102 Ų | 102 | 127 Ų | 127 | 52% | 0.523 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -86 | 82.5 | 169.8 | -51.9 | 172.1 | 0 | 0 | 0 | 104.8 | L284 P285 R286 | L284-I289 HydrophobicContact CB-CD1 4.12Å; L284-I289 HydrophobicContact CB-CG1 4.37Å; P285-I289 PolarHBondContact O-N 3.07Å; R286-I289 CarbonylContact O-C 3.58Å; R286-I289 PolarHBondContact O-N 3.5Å; R286-I289 VanDerWaalsContact O-N 3.09Å |
| 290 | L | 67.9 | Low | 69.9 | Low | 141 Ų | 141 | 133.3 Ų | 133.3 | 74% | 0.738 | 65% | 0.653 | S | S | * | * | trans | -44 | 136.4 | 171.9 | -72.4 | 171.1 | 0 | 0 | 0 | 108.2 | N288 A292 | N288-L290 VanDerWaalsContact C-N 3.28Å; N288-L290 PolarHBondContact O-N 3.37Å; N288-L290 VanDerWaalsContact O-N 3.17Å; L290-A292 PolarHBondContact O-N 2.98Å | ||
| 291 | P | 68.4 | Low | 69.5 | Low | 110 Ų | 110 | 135.7 Ų | 135.7 | 71% | 0.714 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -49.8 | 132.7 | 174.7 | 20.2 | -30.7 | 0 | 0 | 0 | 107.7 | Y293 | P291-Y293 PolarHBondContact O-N 3.5Š|
| 292 | A | 68.3 | Low | 69.2 | Low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | trans | -40.1 | 117.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | L290 K294 | L290-A292 PolarHBondContact O-N 2.98Å; A292-K294 PolarHBondContact O-N 2.9Å | ||
| 293 | Y | 65.5 | Low | 68.6 | Low | 196 Ų | 196 | 132.7 Ų | 132.7 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | trans | -46 | 108.4 | -174.4 | 169 | -104.9 | 0 | 0 | 0 | 108.2 | P291 Y295 | P291-Y293 PolarHBondContact O-N 3.5Å; Y293-Y295 VanDerWaalsContact C-N 3.28Å; Y293-Y295 HydrophobicContact CE1-CD2 4.14Å; Y293-Y295 PolarHBondContact O-N 2.91Å | ||
| 294 | K | 69.3 | Low | 68.2 | Low | 179 Ų | 179 | 132.3 Ų | 132.3 | 78% | 0.778 | 67% | 0.669 | S | S | * | * | trans | -72.9 | 94.4 | -179.1 | -68.6 | -173.1 | -178.3 | -178.7 | 0 | 105.7 | A292 K296 | A292-K294 PolarHBondContact O-N 2.9Å; K294-K296 VanDerWaalsContact C-N 3.32Å; K294-K296 PolarHBondContact O-N 3.36Å | ||
| 295 | Y | 67.4 | Low | 67.6 | Low | 172 Ų | 172 | 132.7 Ų | 132.7 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | trans | -56.6 | 100.1 | 173.7 | 179.3 | -101.8 | 0 | 0 | 0 | 108 | Y293 A297 | Y293-Y295 VanDerWaalsContact C-N 3.28Å; Y293-Y295 HydrophobicContact CE1-CD2 4.14Å; Y293-Y295 PolarHBondContact O-N 2.91Å; Y295-A297 HydrophobicContact CD1-CB 4.32Å; Y295-A297 VanDerWaalsContact CE1-CA 3.47Å; Y295-A297 HydrophobicContact CE1-CB 3.81Å; Y295-A297 PolarHBondContact O-N 3.36Å | ||
| 296 | K | 70.6 | Confident | 67 | Low | 185 Ų | 185 | 134.4 Ų | 134.4 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | -77.9 | 102 | 165.6 | -71 | -171.4 | 178.6 | -176.8 | 0 | 105.1 | K294 H298 | K294-K296 VanDerWaalsContact C-N 3.32Å; K294-K296 PolarHBondContact O-N 3.36Å; K296-H298 PolarHBondContact O-N 3Å | ||
| 297 | A | 74.8 | Confident | 66.7 | Low | 47 Ų | 47 | 129.8 Ų | 129.8 | 39% | 0.388 | 68% | 0.682 | S | S | . | * | trans | -47.7 | 121.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y295 R299 | Y295-A297 HydrophobicContact CD1-CB 4.32Å; Y295-A297 VanDerWaalsContact CE1-CA 3.47Å; Y295-A297 HydrophobicContact CE1-CB 3.81Å; Y295-A297 PolarHBondContact O-N 3.36Å; A297-R299 PolarHBondContact O-N 3.23Å | ||
| 298 | H | 70.2 | Confident | 66.3 | Low | 177 Ų | 177 | 128.3 Ų | 128.3 | 82% | 0.819 | 67% | 0.667 | S | S | * | * | trans | -62.2 | 106.3 | 177.4 | 179.3 | 69.9 | 0 | 0 | 0 | 107.9 | K296 | K296-H298 PolarHBondContact O-N 3Š| ||
| 299 | R | 64.2 | Low | 66 | Low | 158 Ų | 158 | 131.1 Ų | 131.1 | 60% | 0.596 | 68% | 0.681 | S | S | * | * | trans | -104.3 | 141.5 | 177 | -65.2 | -174.2 | -173.1 | -158.4 | 2.3 | 108.5 | A297 | A297-R299 PolarHBondContact O-N 3.23Š| ||
| 300 | R | 74 | Confident | 65.5 | Low | 212 Ų | 212 | 128.4 Ų | 128.4 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | trans | -54.3 | 142.5 | 175.9 | -63.4 | 174.7 | 179.1 | -119.7 | -0 | 109 | S302 F303 | R300-S302 PolarHBondContact O-N 2.97Å; R300-F303 PolarHBondContact O-N 3.35Å | ||
| 301 | S | 60.8 | Low | 65.2 | Low | 138 Ų | 138 | 127.1 Ų | 127.1 | 97% | 0.965 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -5.6 | -175.1 | 81.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 302 | S | 67.4 | Low | 65 | Low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -4.2 | 176.5 | 63.1 | 0 | 0 | 0 | 0 | 113.9 | R300 | R300-S302 PolarHBondContact O-N 2.97Š|
| 303 | F | 60.9 | Low | 64.6 | Low | 87 Ų | 87 | 126.2 Ų | 126.2 | 38% | 0.382 | 66% | 0.66 | S | S | . | * | trans | -94.3 | 103.9 | 177.6 | -174.7 | -94.4 | 0 | 0 | 0 | 109.9 | R300 P305 | R300-F303 PolarHBondContact O-N 3.35Å; F303-P305 HydrophobicContact CE1-CB 4.37Å; F303-P305 WeakPolarHBondContact O-CD 3.4Å | ||
| 304 | D | 61.4 | Low | 64.4 | Low | 89 Ų | 89 | 123.1 Ų | 123.1 | 48% | 0.476 | 65% | 0.652 | S | S | . | * | trans | -82.7 | 116.1 | 168.7 | -175.6 | -1.2 | 0 | 0 | 0 | 109.2 | S306 D307 | D304-S306 PolarHBondContact O-N 3.47Å; D304-S306 VanDerWaalsContact O-N 3.14Å; D304-S306 WeakPolarHBondContact OD1-CB 3.42Å; D304-S306 PolarHBondContact OD1-N 3.29Å; D304-D307 HydrophobicContact CB-CB 4.1Å; D304-D307 PolarHBondContact O-N 3.41Å | ||
| 305 | P | 59.3 | Low | 64 | Low | 95 Ų | 95 | 117.5 Ų | 117.5 | 62% | 0.617 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -13.1 | 176.7 | 26.8 | -34 | 0 | 0 | 0 | 113.7 | F303 D307 S308 | F303-P305 HydrophobicContact CE1-CB 4.37Å; F303-P305 WeakPolarHBondContact O-CD 3.4Å; P305-D307 VanDerWaalsContact C-N 3.35Å; P305-S308 PolarHBondContact O-OG 3.47Å |
| 306 | S | 59.9 | Low | 63.6 | Low | 109 Ų | 109 | 115.5 Ų | 115.5 | 76% | 0.762 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -15.5 | 170.9 | -64.9 | 0 | 0 | 0 | 0 | 113.6 | D304 | D304-S306 PolarHBondContact O-N 3.47Å; D304-S306 VanDerWaalsContact O-N 3.14Å; D304-S306 WeakPolarHBondContact OD1-CB 3.42Å; D304-S306 PolarHBondContact OD1-N 3.29Å |
| 307 | D | 60.9 | Low | 63 | Low | 124 Ų | 124 | 108.8 Ų | 108.8 | 66% | 0.663 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -103.8 | 3.2 | -177.7 | -166.8 | 31.2 | 0 | 0 | 0 | 112.9 | D304 P305 L309 | D304-D307 HydrophobicContact CB-CB 4.1Å; D304-D307 PolarHBondContact O-N 3.41Å; P305-D307 VanDerWaalsContact C-N 3.35Å; D307-L309 PolarHBondContact O-N 3.47Å |
| 308 | S | 59.5 | Low | 62.2 | Low | 57 Ų | 57 | 109.6 Ų | 109.6 | 40% | 0.399 | 62% | 0.624 | S | S | . | * | trans | -66.5 | 108.2 | 162 | 17.9 | 0 | 0 | 0 | 0 | 108.5 | P305 G310 | P305-S308 PolarHBondContact O-OG 3.47Å; S308-G310 PolarHBondContact O-N 2.97Å | ||
| 309 | L | 60.7 | Low | 61.5 | Low | 181 Ų | 181 | 113.6 Ų | 113.6 | 95% | 0.948 | 63% | 0.632 | S | S | * | * | trans | -60.9 | 30.8 | 151.4 | -58.5 | 176.4 | 0 | 0 | 0 | 111.5 | D307 | D307-L309 PolarHBondContact O-N 3.47Š| ||
| 310 | G | 64.3 | Low | 60.9 | Low | 45 Ų | 45 | 109.3 Ų | 109.3 | 46% | 0.464 | 63% | 0.626 | S | S | . | * | trans | -64.2 | 148.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | S308 | S308-G310 PolarHBondContact O-N 2.97Š| ||
| 311 | L | 60.7 | Low | 59.5 | Low | 113 Ų | 113 | 106 Ų | 106 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -33.6 | 131.9 | -173.3 | -60.2 | 163 | 0 | 0 | 0 | 111.6 | S313 C315 | L311-S313 PolarHBondContact O-N 2.98Å; L311-C315 HydrophobicContact CB-CB 3.45Å; L311-C315 VanDerWaalsContact CB-CB 3.45Å; L311-C315 HydrophobicContact CD1-CB 4.21Å; L311-C315 HydrophobicContact CG-CB 4.32Å |
| 312 | P | 64.8 | Low | 59 | Low | 84 Ų | 84 | 106 Ų | 106 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | trans | -51.2 | 144 | -173.9 | -15.2 | 22 | 0 | 0 | 0 | 109.4 | H314 C315 | P312-H314 WeakPolarHBondContact CB-ND1 3.46Å; P312-H314 CarbonylContact O-C 3.55Å; P312-H314 PolarHBondContact O-N 2.94Å; P312-H314 PolarHBondContact O-ND1 3.49Å; P312-H314 VanDerWaalsContact O-ND1 3.11Å; P312-C315 WeakPolarHBondContact O-CB 3.23Å; P312-C315 PolarHBondContact O-N 3.42Å | ||
| 313 | S | 59.4 | Low | 58.2 | Low | 96 Ų | 96 | 103 Ų | 103 | 67% | 0.671 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -40.2 | -35.5 | -169.3 | 54 | 0 | 0 | 0 | 0 | 115 | L311 C315 L316 S317 | L311-S313 PolarHBondContact O-N 2.98Å; S313-C315 VanDerWaalsContact C-N 3.26Å; S313-C315 PolarHBondContact O-N 3.4Å; S313-L316 CarbonylContact O-C 3.59Å; S313-L316 PolarHBondContact O-N 3.47Å; S313-S317 PolarHBondContact O-N 3.25Å; S313-S317 PolarHBondContact O-OG 3.49Å |
| 314 | H | 62.4 | Low | 57.9 | Low | 131 Ų | 131 | 107.8 Ų | 107.8 | 61% | 0.606 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -55.8 | -28.1 | 173.5 | 85 | -56.8 | 0 | 0 | 0 | 116.1 | P312 | P312-H314 WeakPolarHBondContact CB-ND1 3.46Å; P312-H314 CarbonylContact O-C 3.55Å; P312-H314 PolarHBondContact O-N 2.94Å; P312-H314 PolarHBondContact O-ND1 3.49Å; P312-H314 VanDerWaalsContact O-ND1 3.11Å |
| 315 | C | 61.1 | Low | 57.2 | Low | 61 Ų | 61 | 110.6 Ų | 110.6 | 41% | 0.412 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -84 | -27.6 | 175.3 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | L311 P312 S313 | L311-C315 HydrophobicContact CB-CB 3.45Å; L311-C315 VanDerWaalsContact CB-CB 3.45Å; L311-C315 HydrophobicContact CD1-CB 4.21Å; L311-C315 HydrophobicContact CG-CB 4.32Å; P312-C315 WeakPolarHBondContact O-CB 3.23Å; P312-C315 PolarHBondContact O-N 3.42Å; S313-C315 VanDerWaalsContact C-N 3.26Å; S313-C315 PolarHBondContact O-N 3.4Å |
| 316 | L | 59 | Low | 56.7 | Low | 131 Ų | 131 | 114.1 Ų | 114.1 | 69% | 0.686 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -82.6 | -21.7 | 174.2 | -65.7 | 176.1 | 0 | 0 | 0 | 111.5 | S313 G318 | S313-L316 CarbonylContact O-C 3.59Å; S313-L316 PolarHBondContact O-N 3.47Å; L316-G318 PolarHBondContact O-N 3.49Å |
| 317 | S | 57.4 | Low | 56.7 | Low | 44 Ų | 44 | 115.6 Ų | 115.6 | 31% | 0.308 | 66% | 0.656 | S | S | . | * | trans | -71.6 | 43.8 | 167.9 | -58 | 0 | 0 | 0 | 0 | 112.4 | S313 W319 S320 | S313-S317 PolarHBondContact O-N 3.25Å; S313-S317 PolarHBondContact O-OG 3.49Å; S317-W319 PolarHBondContact O-N 2.88Å; S317-S320 PolarHBondContact O-N 3.1Å | ||
| 318 | G | 57.6 | Low | 56.7 | Low | 63 Ų | 63 | 114.7 Ų | 114.7 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.5 | 112.8 | 163 | 0 | 0 | 0 | 0 | 0 | 108.3 | L316 S320 | L316-G318 PolarHBondContact O-N 3.49Å; G318-S320 PolarHBondContact O-N 2.76Å |
| 319 | W | 54.8 | Low | 56.9 | Low | 262 Ų | 262 | 117.8 Ų | 117.8 | 99% | 0.992 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.4 | 21.3 | 173.8 | -129.8 | -53.5 | 0 | 0 | 0 | 118.8 | S317 | S317-W319 PolarHBondContact O-N 2.88Š|
| 320 | S | 52 | Low | 56.6 | Low | 68 Ų | 68 | 114 Ų | 114 | 48% | 0.476 | 67% | 0.671 | S | S | . | * | trans | -119.4 | 57.2 | 171.4 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | S317 G318 | S317-S320 PolarHBondContact O-N 3.1Å; G318-S320 PolarHBondContact O-N 2.76Å | ||
| 321 | N | 45.8 | Very low | 56.2 | Low | 141 Ų | 141 | 123.2 Ų | 123.2 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | trans | -122.1 | 83.8 | 155.8 | -81.8 | -40.2 | 0 | 0 | 0 | 108.8 | G323 | N321-G323 PolarHBondContact O-N 3.28Š| ||
| 322 | P | 50.2 | Low | 56.3 | Low | 138 Ų | 138 | 123.1 Ų | 123.1 | 90% | 0.896 | 70% | 0.7 | S | S | * | * | trans | -79.4 | 54.4 | 162.6 | 35.6 | -32.5 | 0 | 0 | 0 | 109.1 | ||||
| 323 | G | 49.6 | Very low | 56.2 | Low | 45 Ų | 45 | 126.7 Ų | 126.7 | 46% | 0.464 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -152.6 | 86.5 | -170 | 0 | 0 | 0 | 0 | 0 | 111.2 | N321 | N321-G323 PolarHBondContact O-N 3.28Š|
| 324 | Q | 55.6 | Low | 56.3 | Low | 186 Ų | 186 | 126.5 Ų | 126.5 | 87% | 0.869 | 71% | 0.705 | S | S | * | * | trans | 39.5 | 91.1 | 149.6 | -57.5 | -173.6 | -10.9 | 0 | 0 | 117.3 | ||||
| 325 | N | 47.1 | Very low | 56 | Low | 149 Ų | 149 | 126.3 Ų | 126.3 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | trans | -139 | 77.1 | 144.1 | -88.1 | -57.1 | 0 | 0 | 0 | 107.9 | L327 | N325-L327 PolarHBondContact O-N 3.14Š| ||
| 326 | I | 48.5 | Very low | 55.9 | Low | 168 Ų | 168 | 133.1 Ų | 133.1 | 86% | 0.862 | 73% | 0.725 | S | S | * | * | trans | -67.8 | 89.4 | 152.3 | -59.1 | 171.4 | 0 | 0 | 0 | 104 | ||||
| 327 | L | 58.5 | Low | 56 | Low | 140 Ų | 140 | 130.7 Ų | 130.7 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 132.5 | 161 | -75.8 | 159.1 | 0 | 0 | 0 | 106.2 | N325 | N325-L327 PolarHBondContact O-N 3.14Š|
| 328 | P | 61.7 | Low | 56 | Low | 106 Ų | 106 | 132.8 Ų | 132.8 | 69% | 0.688 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 140.2 | 165.5 | 23.2 | -30.2 | 0 | 0 | 0 | 107.4 | A330 | P328-A330 PolarHBondContact O-N 2.86Š|
| 329 | P | 62.9 | Low | 55.9 | Low | 121 Ų | 121 | 136.4 Ų | 136.4 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 132.4 | -175.5 | 17.9 | -29.5 | 0 | 0 | 0 | 109.4 | R331 | P329-R331 PolarHBondContact O-N 3.46Š|
| 330 | A | 56.1 | Low | 55.9 | Low | 101 Ų | 101 | 132.2 Ų | 132.2 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | trans | -50.6 | 112.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | P328 S332 | P328-A330 PolarHBondContact O-N 2.86Å; A330-S332 PolarHBondContact O-N 3.06Å; A330-S332 VanDerWaalsContact O-N 3.07Å | ||
| 331 | R | 55.3 | Low | 56.1 | Low | 240 Ų | 240 | 134.3 Ų | 134.3 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | trans | -64.3 | 113.8 | 176.8 | -146.7 | 178.6 | 174.1 | 166.8 | -2 | 105.8 | P329 L333 | P329-R331 PolarHBondContact O-N 3.46Å; R331-L333 PolarHBondContact O-N 2.94Å | ||
| 332 | S | 63.1 | Low | 56.5 | Low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | -52.1 | 116.6 | -178.8 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | A330 D334 | A330-S332 PolarHBondContact O-N 3.06Å; A330-S332 VanDerWaalsContact O-N 3.07Å; S332-D334 PolarHBondContact O-N 3.25Å | ||
| 333 | L | 61.7 | Low | 56.3 | Low | 159 Ų | 159 | 137.8 Ų | 137.8 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | -67.4 | 100.6 | 170.9 | -98.2 | 158.2 | 0 | 0 | 0 | 108 | R331 L335 | R331-L333 PolarHBondContact O-N 2.94Å; L333-L335 PolarHBondContact O-N 3.32Å | ||
| 334 | D | 61.5 | Low | 55.8 | Low | 92 Ų | 92 | 140.5 Ų | 140.5 | 49% | 0.492 | 76% | 0.758 | S | S | . | * | trans | -79.1 | 101.3 | 169.8 | -171.6 | 6.3 | 0 | 0 | 0 | 109.1 | S332 R336 S337 | S332-D334 PolarHBondContact O-N 3.25Å; D334-R336 PolarHBondContact O-N 3.05Å; D334-R336 WeakPolarHBondContact OD1-CB 3.49Å; D334-R336 PolarHBondContact OD1-N 2.95Å; D334-S337 PolarHBondContact O-N 2.96Å; D334-S337 PolarHBondContact O-OG 2.88Å | ||
| 335 | L | 56.7 | Low | 55 | Low | 128 Ų | 128 | 139.6 Ų | 139.6 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -9.8 | 178.8 | -63.7 | 172.9 | 0 | 0 | 0 | 112.4 | L333 | L333-L335 PolarHBondContact O-N 3.32Š|
| 336 | R | 59.7 | Low | 54.1 | Low | 203 Ų | 203 | 135.9 Ų | 135.9 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -25.4 | 179.5 | -62.5 | -178.2 | 171.8 | 177.8 | -1.4 | 112.9 | D334 S338 I339 | D334-R336 PolarHBondContact O-N 3.05Å; D334-R336 WeakPolarHBondContact OD1-CB 3.49Å; D334-R336 PolarHBondContact OD1-N 2.95Å; R336-S338 VanDerWaalsContact C-N 3.3Å; R336-S338 PolarHBondContact O-N 3.34Å; R336-I339 PolarHBondContact O-N 2.96Å |
| 337 | S | 59.6 | Low | 54 | Low | 81 Ų | 81 | 133.6 Ų | 133.6 | 57% | 0.566 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -17.9 | 177.1 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | D334 | D334-S337 PolarHBondContact O-N 2.96Å; D334-S337 PolarHBondContact O-OG 2.88Å |
| 338 | S | 57.2 | Low | 52.6 | Low | 88 Ų | 88 | 134.9 Ų | 134.9 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -3.5 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 114.1 | R336 | R336-S338 VanDerWaalsContact C-N 3.3Å; R336-S338 PolarHBondContact O-N 3.34Å |
| 339 | I | 56.7 | Low | 51.1 | Low | 138 Ų | 138 | 134 Ų | 134 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -93.6 | -14.6 | 177.8 | -62.4 | 172.4 | 0 | 0 | 0 | 111.4 | R336 T341 | R336-I339 PolarHBondContact O-N 2.96Å; I339-T341 VanDerWaalsContact C-N 3.26Å; I339-T341 PolarHBondContact O-N 2.88Å; I339-T341 VanDerWaalsContact O-N 3.15Å |
| 340 | Q | 54.4 | Low | 49.6 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -88.8 | 51.3 | 174.8 | -66.1 | -171.7 | 12.2 | 0 | 0 | 112.6 | ||||
| 341 | T | 55.4 | Low | 48.4 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -136 | 71.5 | 165 | 57.4 | 0 | 0 | 0 | 0 | 109.4 | I339 | I339-T341 VanDerWaalsContact C-N 3.26Å; I339-T341 PolarHBondContact O-N 2.88Å; I339-T341 VanDerWaalsContact O-N 3.15Å |
| 342 | K | 55 | Low | 47.9 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 166.3 | 110.6 | 150.4 | -94.7 | 160.4 | -177.9 | -177.3 | 0 | 106.2 | ||
| 343 | N | 46.3 | Very low | 46.3 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | trans | 136.2 | 80.8 | 159.6 | -63.2 | -17 | 0 | 0 | 0 | 109.8 | ||||
| 344 | A | 38.6 | Very low | 44.8 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | trans | -150.2 | 99.2 | 152 | 0 | 0 | 0 | 0 | 0 | 106.7 | G346 | A344-G346 PolarHBondContact O-N 3.35Š| ||
| 345 | D | 38.2 | Very low | 43.4 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | trans | -72.3 | 111 | 174.9 | -73.4 | -52.2 | 0 | 0 | 0 | 110.8 | ||||
| 346 | G | 29.6 | Very low | 42.1 | Very low | 71 Ų | 71 | 136.1 Ų | 136.1 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | trans | 61.4 | 174.5 | 144.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | A344 | A344-G346 PolarHBondContact O-N 3.35Š| ||
| 347 | P | 45.2 | Very low | 40.7 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | cis | -134 | -174.5 | -28.6 | 38.3 | -20.6 | 0 | 0 | 0 | 113.9 | ||||
| 348 | L | 30.7 | Very low | 39.4 | Very low | 167 Ų | 167 | 133 Ų | 133 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | 88.9 | 130.7 | 170.2 | -62.5 | 152.1 | 0 | 0 | 0 | 114.9 | ||||
| 349 | S | 29.2 | Very low | 38.2 | Very low | 87 Ų | 87 | 140 Ų | 140 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | cis | -168.9 | 156.7 | 16.6 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 350 | Q | 31.8 | Very low | 36.9 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 84.5 | 93.1 | 157.3 | -74 | 156.8 | 38.9 | 0 | 0 | 121.1 | ||||
| 351 | Q | 30.7 | Very low | 35.9 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -37.1 | 178.5 | 140.1 | -76.3 | -96.8 | -0.4 | 0 | 0 | 116.1 | ||||
| 352 | P | 44.4 | Very low | 35 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | cis | -129.8 | 177.4 | -8.6 | 24.8 | 0.9 | 0 | 0 | 0 | 111.2 | ||||
| 353 | E | 29.5 | Very low | 33.8 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | -177.8 | 140.8 | 64.3 | -85.1 | -162.5 | 139 | 0 | 0 | 111.3 | |||||
| 354 | K | 29.8 | Very low | 33.3 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | 62.8 | 133.1 | 135 | -67.1 | 172.2 | -178.1 | 155.1 | 0 | 119.4 | ||||
| 355 | L | 32.2 | Very low | 33.6 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | cis | -168.1 | 143.7 | 13.8 | -100.6 | 156.9 | 0 | 0 | 0 | 109.2 | ||||
| 356 | S | 30.3 | Very low | 33.5 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 41.3 | 139.3 | 144.3 | 60.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 357 | S | 31.1 | Very low | 33.7 | Very low | 110 Ų | 110 | 152.3 Ų | 152.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | cis | -172.2 | 143.3 | 25.6 | 24.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 358 | S | 30.9 | Very low | 33.4 | Very low | 108 Ų | 108 | 152.5 Ų | 152.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 65.7 | 97.3 | 134.6 | -158.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 359 | R | 32.1 | Very low | 33.6 | Very low | 235 Ų | 235 | 151.5 Ų | 151.5 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | 27.8 | 126.2 | 122.5 | -60.5 | -178.8 | -171.5 | -164 | 1.9 | 119.5 | |||||
| 360 | R | 30.1 | Very low | 34.1 | Very low | 229 Ų | 229 | 154 Ų | 154 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | -177.1 | 127.7 | 89.9 | -127.8 | 178.1 | -175.5 | 174.7 | 0.9 | 112.3 | |||||
| 361 | N | 32.6 | Very low | 34.3 | Very low | 139 Ų | 139 | 149.7 Ų | 149.7 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 11.6 | 142.2 | 145.8 | -47.8 | -21.4 | 0 | 0 | 0 | 118.3 | ||||
| 362 | Q | 35.9 | Very low | 34.9 | Very low | 187 Ų | 187 | 153.8 Ų | 153.8 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | -160.6 | 150.7 | 52.9 | -72.2 | 171.7 | 21.6 | 0 | 0 | 111.5 | |||||
| 363 | N | 31.9 | Very low | 34.7 | Very low | 163 Ų | 163 | 156.3 Ų | 156.3 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -45.1 | 133.2 | 169.3 | -79.2 | -67.3 | 0 | 0 | 0 | 113.8 | ||||
| 364 | L | 35.5 | Very low | 35.1 | Very low | 159 Ų | 159 | 153 Ų | 153 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -147.3 | 125.7 | 138.1 | -158.9 | 67.6 | 0 | 0 | 0 | 107.9 | Q366 | L364-Q366 PolarHBondContact O-N 2.81Š| ||
| 365 | E | 44.1 | Very low | 35.4 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -56.2 | 123.3 | 179.6 | -64.8 | -157.6 | 149.9 | 0 | 0 | 111.3 | ||||
| 366 | Q | 35.3 | Very low | 35.8 | Very low | 177 Ų | 177 | 153.6 Ų | 153.6 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -139.6 | 114.7 | 163.2 | -98.7 | 170.8 | 20.4 | 0 | 0 | 108.7 | L364 | L364-Q366 PolarHBondContact O-N 2.81Š| ||
| 367 | T | 35.3 | Very low | 36.1 | Very low | 134 Ų | 134 | 156.4 Ų | 156.4 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -48.4 | 134.8 | 167.5 | 33.5 | 0 | 0 | 0 | 0 | 110.9 | D369 | T367-D369 PolarHBondContact O-N 3.2Š| ||
| 368 | P | 38.2 | Very low | 36.4 | Very low | 122 Ų | 122 | 159 Ų | 159 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -72.6 | 116.6 | -180 | 26.6 | -31 | 0 | 0 | 0 | 111 | V370 | P368-V370 PolarHBondContact O-N 3.33Š| ||
| 369 | D | 35.4 | Very low | 37.1 | Very low | 147 Ų | 147 | 161.8 Ų | 161.8 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -52 | 114.7 | 170.8 | -164.6 | 4.9 | 0 | 0 | 0 | 111.6 | T367 C371 | T367-D369 PolarHBondContact O-N 3.2Å; D369-C371 PolarHBondContact O-N 3.43Å | ||
| 370 | V | 38.4 | Very low | 37.4 | Very low | 138 Ų | 138 | 159.1 Ų | 159.1 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -85.7 | 87.7 | 173.3 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | P368 | P368-V370 PolarHBondContact O-N 3.33Š| ||
| 371 | C | 37.3 | Very low | 38 | Very low | 94 Ų | 94 | 157.1 Ų | 157.1 | 64% | 0.635 | 80% | 0.799 | S | S | * | * | trans | -151.6 | 72.9 | 166 | -89.9 | 0 | 0 | 0 | 0 | 110.8 | D369 | D369-C371 PolarHBondContact O-N 3.43Š| ||
| 372 | R | 42.7 | Very low | 38.3 | Very low | 259 Ų | 259 | 155.6 Ų | 155.6 | 98% | 0.977 | 80% | 0.799 | S | S | * | * | trans | -102.2 | 78.5 | 154.2 | -74 | -168.7 | 178.5 | -165.6 | 0.7 | 108.4 | ||||
| 373 | L | 39.7 | Very low | 38.6 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | -74 | 136 | 164.6 | -81.6 | 161.8 | 0 | 0 | 0 | 108.8 | N375 | L373-N375 PolarHBondContact O-N 2.97Š| ||
| 374 | A | 38.3 | Very low | 39.2 | Very low | 67 Ų | 67 | 154.3 Ų | 154.3 | 55% | 0.554 | 80% | 0.795 | S | S | * | * | trans | -60.2 | 128.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F376 | A374-F376 HydrophobicContact CB-CD2 4.2Å; A374-F376 HydrophobicContact CB-CE2 3.68Å; A374-F376 HydrophobicContact CB-CZ 4.1Å; A374-F376 WeakPolarHBondContact O-CD2 3.32Å; A374-F376 PolarHBondContact O-N 3.38Å | ||
| 375 | N | 37 | Very low | 39.4 | Very low | 160 Ų | 160 | 158.3 Ų | 158.3 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -69.4 | 96.4 | 173.7 | -70 | -19.7 | 0 | 0 | 0 | 109.2 | L373 | L373-N375 PolarHBondContact O-N 2.97Š| ||
| 376 | F | 39 | Very low | 39.3 | Very low | 156 Ų | 156 | 156.3 Ų | 156.3 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | trans | -88.2 | 113.4 | 166 | -67 | -77 | 0 | 0 | 0 | 108.9 | A374 F378 | A374-F376 HydrophobicContact CB-CD2 4.2Å; A374-F376 HydrophobicContact CB-CE2 3.68Å; A374-F376 HydrophobicContact CB-CZ 4.1Å; A374-F376 WeakPolarHBondContact O-CD2 3.32Å; A374-F376 PolarHBondContact O-N 3.38Å; F376-F378 HydrophobicContact CB-CD2 4.48Å; F376-F378 HydrophobicContact CB-CE2 3.84Å; F376-F378 HydrophobicContact CB-CZ 4.09Å; F376-F378 WeakPolarHBondContact O-CD2 3.08Å; F376-F378 PolarHBondContact O-N 2.88Å | ||
| 377 | N | 37.4 | Very low | 39.7 | Very low | 159 Ų | 159 | 153.8 Ų | 153.8 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -75.3 | 107.1 | 172.9 | -78 | -33.1 | 0 | 0 | 0 | 109.5 | ||||
| 378 | F | 38.1 | Very low | 39.9 | Very low | 165 Ų | 165 | 158.8 Ų | 158.8 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | trans | -88.6 | 111.3 | 169.2 | -64.8 | -80.5 | 0 | 0 | 0 | 109.4 | F376 H380 | F376-F378 HydrophobicContact CB-CD2 4.48Å; F376-F378 HydrophobicContact CB-CE2 3.84Å; F376-F378 HydrophobicContact CB-CZ 4.09Å; F376-F378 WeakPolarHBondContact O-CD2 3.08Å; F376-F378 PolarHBondContact O-N 2.88Å; F378-H380 PolarHBondContact O-N 3.46Å | ||
| 379 | Q | 44.4 | Very low | 40 | Very low | 166 Ų | 166 | 158.9 Ų | 158.9 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -76.1 | 111.1 | 165.2 | -74 | -177.3 | -2.6 | 0 | 0 | 108.5 | F381 | Q379-F381 PolarHBondContact O-N 2.65Š| ||
| 380 | H | 38.5 | Very low | 40.2 | Very low | 179 Ų | 179 | 156.1 Ų | 156.1 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -73.8 | 112.4 | 171.7 | -69.4 | -80.2 | 0 | 0 | 0 | 109.6 | F378 | F378-H380 PolarHBondContact O-N 3.46Š| ||
| 381 | F | 43.1 | Very low | 40.3 | Very low | 187 Ų | 187 | 159.5 Ų | 159.5 | 82% | 0.82 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 120.6 | 163.9 | -72.9 | -82 | 0 | 0 | 0 | 109 | Q379 | Q379-F381 PolarHBondContact O-N 2.65Š|
| 382 | S | 39.9 | Very low | 40.2 | Very low | 107 Ų | 107 | 163.6 Ų | 163.6 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72 | 140 | 172.8 | 35.6 | 0 | 0 | 0 | 0 | 110.7 | K384 | S382-K384 PolarHBondContact O-N 3.34Š|
| 383 | P | 40.5 | Very low | 40.4 | Very low | 124 Ų | 124 | 157.1 Ų | 157.1 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 122.3 | -176.9 | 26.3 | -30.8 | 0 | 0 | 0 | 110.5 | R385 | P383-R385 PolarHBondContact O-N 2.67Š|
| 384 | K | 44.4 | Very low | 40.7 | Very low | 200 Ų | 200 | 156.9 Ų | 156.9 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -64.5 | 114 | 168.1 | -76 | -177 | 177.7 | 179.1 | 0 | 108.9 | S382 N386 | S382-K384 PolarHBondContact O-N 3.34Å; K384-N386 PolarHBondContact O-N 3.36Å | ||
| 385 | R | 41.2 | Very low | 40.7 | Very low | 242 Ų | 242 | 160.5 Ų | 160.5 | 91% | 0.913 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 118.6 | 165.1 | -83.9 | -179.2 | 168.3 | 173.2 | -2.7 | 108.8 | P383 | P383-R385 PolarHBondContact O-N 2.67Š|
| 386 | N | 40.9 | Very low | 40.8 | Very low | 147 Ų | 147 | 160.6 Ų | 160.6 | 79% | 0.786 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 132.1 | 167.3 | -69.5 | -27.6 | 0 | 0 | 0 | 109.5 | K384 | K384-N386 PolarHBondContact O-N 3.36Š|
| 387 | P | 43.7 | Very low | 40.9 | Very low | 125 Ų | 125 | 160.8 Ų | 160.8 | 81% | 0.812 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 140.8 | 173 | 27.4 | -29.7 | 0 | 0 | 0 | 111.1 | ||
| 388 | R | 40.4 | Very low | 41.1 | Very low | 239 Ų | 239 | 160.9 Ų | 160.9 | 90% | 0.902 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 146.8 | 175.8 | -71.3 | 178.6 | 175 | 177.7 | -2.3 | 110.9 | ||
| 389 | P | 40.3 | Very low | 41.3 | Very low | 123 Ų | 123 | 160.6 Ų | 160.6 | 80% | 0.799 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 130 | 173.6 | 30.1 | -30.9 | 0 | 0 | 0 | 110.6 | ||
| 390 | S | 40.1 | Very low | 41.1 | Very low | 89 Ų | 89 | 160.3 Ų | 160.3 | 62% | 0.622 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 130.4 | 171.2 | 49.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 391 | F | 39.6 | Very low | 41.3 | Very low | 210 Ų | 210 | 159.1 Ų | 159.1 | 92% | 0.921 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 131.7 | 166.9 | -78.9 | -96.9 | 0 | 0 | 0 | 110 | ||
| 392 | F | 35.1 | Very low | 41.2 | Very low | 179 Ų | 179 | 157.1 Ų | 157.1 | 79% | 0.785 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 140.8 | 165.6 | -70.8 | -82 | 0 | 0 | 0 | 109.6 | ||
| 393 | P | 46.2 | Very low | 41.3 | Very low | 123 Ų | 123 | 160.9 Ų | 160.9 | 80% | 0.799 | 88% | 0.876 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 137.7 | 167.5 | 33.7 | -27.8 | 0 | 0 | 0 | 109.5 | ||
| 394 | V | 45.9 | Very low | 41.3 | Very low | 148 Ų | 148 | 164 Ų | 164 | 90% | 0.897 | 88% | 0.882 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 124.4 | 168.6 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | ||
| 395 | G | 38 | Very low | 41 | Very low | 143 Ų | 143 | 160.7 Ų | 160.7 | 100% | 1.474 | 88% | 0.883 | S | S | * | * | trans | -95.5 | 0 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 395 of 395 residues in 45.7 ms
(Link to these results)