| 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 | 66.7 | Low | 86 | Confident | 201 Ų | 201 | 114.3 Ų | 114.3 | 99% | 0.99 | 59% | 0.594 | S | S | * | * | 0 | 121.6 | 0 | -176 | -171.3 | -69.8 | 0 | 0 | 108.2 | R3 | M1-R3 PolarHBondContact SD-NE 3.49Å; M1-R3 PolarHBondContact SD-NH2 3.25Å | |||
| 2 | I | 85.6 | Confident | 85.7 | Confident | 170 Ų | 170 | 110.5 Ų | 110.5 | 87% | 0.872 | 57% | 0.57 | S | S | * | * | trans | -94.2 | 147.9 | 179.3 | -60.2 | 172.3 | 0 | 0 | 0 | 108.6 | ||||
| 3 | R | 92.4 | Very high | 85.7 | Confident | 199 Ų | 199 | 110.2 Ų | 110.2 | 75% | 0.751 | 57% | 0.569 | S | S | * | * | trans | -143.7 | 153 | 179.1 | -64.4 | -174.7 | 179.4 | -175.4 | -1.8 | 110.6 | M1 | M1-R3 PolarHBondContact SD-NE 3.49Å; M1-R3 PolarHBondContact SD-NH2 3.25Å | ||
| 4 | C | 93.1 | Very high | 85.7 | Confident | 107 Ų | 107 | 109.4 Ų | 109.4 | 72% | 0.723 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 142.2 | 173.1 | -168 | 0 | 0 | 0 | 0 | 110.9 | ||
| 5 | L | 93.8 | Very high | 85.3 | Confident | 90 Ų | 90 | 102.1 Ų | 102.1 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 140.7 | 176.8 | -65.8 | 177.3 | 0 | 0 | 0 | 111.1 | V9 R10 L13 | L5-V9 HydrophobicContact CB-CG1 4.38Å; L5-V9 HydrophobicContact CD1-CG1 4.32Å; L5-V9 HydrophobicContact CD2-CG1 4.44Å; L5-R10 HydrophobicContact CB-CG 3.74Å; L5-R10 WeakPolarHBondContact O-CD 3.32Å; L5-R10 PolarHBondContact O-NE 2.93Å; L5-L13 HydrophobicContact CD1-CD1 3.84Å |
| 6 | P | 92.7 | Very high | 84.9 | Confident | 84 Ų | 84 | 97.8 Ų | 97.8 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 150.5 | 175 | -26.6 | 34.5 | 0 | 0 | 0 | 113 | E8 V9 R10 | P6-E8 VanDerWaalsContact C-N 3.29Å; P6-E8 PolarHBondContact O-N 3.49Å; P6-V9 HydrophobicContact CB-CB 4.5Å; P6-V9 HydrophobicContact CB-CG2 4.14Å; P6-V9 HydrophobicContact CG-CG2 4.21Å; P6-V9 PolarHBondContact O-N 2.73Å; P6-R10 PolarHBondContact O-N 3.07Å |
| 7 | A | 84.4 | Confident | 84.8 | Confident | 70 Ų | 70 | 96.8 Ų | 96.8 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -55.2 | -42.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | R10 G11 | A7-R10 PolarHBondContact O-N 2.7Å; A7-G11 PolarHBondContact O-N 3.38Å |
| 8 | E | 82.4 | Confident | 84.7 | Confident | 126 Ų | 126 | 92.1 Ų | 92.1 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.3 | -45.7 | 175.4 | -167.2 | -156.1 | 150 | 0 | 0 | 112.2 | P6 G11 K12 | P6-E8 VanDerWaalsContact C-N 3.29Å; P6-E8 PolarHBondContact O-N 3.49Å; E8-G11 PolarHBondContact O-N 2.86Å; E8-K12 HydrophobicContact CG-CD 4.32Å; E8-K12 WeakPolarHBondContact O-CB 3.37Å; E8-K12 WeakPolarHBondContact O-CG 3.33Å; E8-K12 PolarHBondContact O-N 2.95Å; E8-K12 VanDerWaalsContact OE1-CE 3.27Å; E8-K12 WeakPolarHBondContact OE1-CE 3.39Å; E8-K12 IonicContact OE1-NZ 3.12Å; E8-K12 PolarHBondContact OE1-NZ 2.95Å |
| 9 | V | 85.2 | Confident | 85.1 | Confident | 58 Ų | 58 | 87.3 Ų | 87.3 | 35% | 0.352 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | L5 P6 G11 K12 L13 | L5-V9 HydrophobicContact CB-CG1 4.38Å; L5-V9 HydrophobicContact CD1-CG1 4.32Å; L5-V9 HydrophobicContact CD2-CG1 4.44Å; P6-V9 HydrophobicContact CB-CB 4.5Å; P6-V9 HydrophobicContact CB-CG2 4.14Å; P6-V9 HydrophobicContact CG-CG2 4.21Å; P6-V9 PolarHBondContact O-N 2.73Å; V9-G11 VanDerWaalsContact C-N 3.32Å; V9-G11 PolarHBondContact O-N 2.72Å; V9-K12 PolarHBondContact O-N 2.62Å; V9-L13 HydrophobicContact CG1-CD1 3.93Å; V9-L13 HydrophobicContact CG1-CG 4.4Å; V9-L13 WeakPolarHBondContact O-CB 3.5Å; V9-L13 VanDerWaalsContact O-CG 3.29Å; V9-L13 WeakPolarHBondContact O-CG 3.49Å; V9-L13 PolarHBondContact O-N 2.75Å |
| 10 | R | 87.9 | Confident | 85.4 | Confident | 138 Ų | 138 | 86.4 Ų | 86.4 | 52% | 0.521 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 174.1 | -66.5 | -173.7 | -64.9 | 168.7 | 3.9 | 111.4 | L5 P6 A7 R14 | L5-R10 HydrophobicContact CB-CG 3.74Å; L5-R10 WeakPolarHBondContact O-CD 3.32Å; L5-R10 PolarHBondContact O-NE 2.93Å; P6-R10 PolarHBondContact O-N 3.07Å; A7-R10 PolarHBondContact O-N 2.7Å; R10-R14 VanDerWaalsContact O-CB 3.29Å; R10-R14 WeakPolarHBondContact O-CB 3.43Å; R10-R14 PolarHBondContact O-N 2.86Å |
| 11 | G | 81.4 | Confident | 85.7 | Confident | 14 Ų | 14 | 83.4 Ų | 83.4 | 14% | 0.144 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.2 | -50.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A7 E8 V9 R14 S15 | A7-G11 PolarHBondContact O-N 3.38Å; E8-G11 PolarHBondContact O-N 2.86Å; V9-G11 VanDerWaalsContact C-N 3.32Å; V9-G11 PolarHBondContact O-N 2.72Å; G11-R14 PolarHBondContact O-N 2.73Å; G11-S15 WeakPolarHBondContact O-CB 3.34Å; G11-S15 PolarHBondContact O-N 2.71Å; G11-S15 PolarHBondContact O-OG 3.16Å; G11-S15 VanDerWaalsContact O-OG 3.12Å |
| 12 | K | 82.4 | Confident | 86.9 | Confident | 69 Ų | 69 | 74 Ų | 74 | 30% | 0.3 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 179.2 | -75.7 | -178.8 | 168.5 | 172.5 | 0 | 113 | E8 V9 S15 G16 M155 | E8-K12 HydrophobicContact CG-CD 4.32Å; E8-K12 WeakPolarHBondContact O-CB 3.37Å; E8-K12 WeakPolarHBondContact O-CG 3.33Å; E8-K12 PolarHBondContact O-N 2.95Å; E8-K12 VanDerWaalsContact OE1-CE 3.27Å; E8-K12 WeakPolarHBondContact OE1-CE 3.39Å; E8-K12 IonicContact OE1-NZ 3.12Å; E8-K12 PolarHBondContact OE1-NZ 2.95Å; V9-K12 PolarHBondContact O-N 2.62Å; K12-S15 PolarHBondContact O-OG 3.04Å; K12-G16 PolarHBondContact O-N 2.89Å; K12-M155 HydrophobicContact CB-CE 3.7Å; K12-M155 HydrophobicContact CG-CE 3.88Å; K12-M155 WeakPolarHBondContact O-CE 3.19Å |
| 13 | L | 86.1 | Confident | 87.4 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 56% | 0.56 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.2 | -46.8 | 173.4 | -69.7 | 171.8 | 0 | 0 | 0 | 111.4 | L5 V9 S15 G16 V17 | L5-L13 HydrophobicContact CD1-CD1 3.84Å; V9-L13 HydrophobicContact CG1-CD1 3.93Å; V9-L13 HydrophobicContact CG1-CG 4.4Å; V9-L13 WeakPolarHBondContact O-CB 3.5Å; V9-L13 VanDerWaalsContact O-CG 3.29Å; V9-L13 WeakPolarHBondContact O-CG 3.49Å; V9-L13 PolarHBondContact O-N 2.75Å; L13-S15 PolarHBondContact O-N 2.66Å; L13-G16 PolarHBondContact O-N 2.96Å; L13-V17 PolarHBondContact O-N 3.11Å |
| 14 | R | 85.1 | Confident | 87.5 | Confident | 98 Ų | 98 | 58.4 Ų | 58.4 | 37% | 0.37 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | -178.6 | -169 | 61 | 171.2 | -166.4 | 0.5 | 112.5 | R10 G11 G16 V17 A18 E95 | R10-R14 VanDerWaalsContact O-CB 3.29Å; R10-R14 WeakPolarHBondContact O-CB 3.43Å; R10-R14 PolarHBondContact O-N 2.86Å; G11-R14 PolarHBondContact O-N 2.73Å; R14-G16 VanDerWaalsContact C-N 3.31Å; R14-G16 PolarHBondContact O-N 3.33Å; R14-V17 PolarHBondContact O-N 2.87Å; R14-V17 VanDerWaalsContact O-N 3.16Å; R14-A18 WeakPolarHBondContact O-CB 3.14Å; R14-A18 PolarHBondContact O-N 2.6Å; R14-E95 WeakPolarHBondContact CG-OE1 3.27Å; R14-E95 IonicContact CZ-OE1 2.89Å; R14-E95 IonicContact CZ-OE2 3.53Å; R14-E95 IonicContact NE-OE1 2.7Å; R14-E95 PolarHBondContact NE-OE1 3.19Å; R14-E95 IonicContact NE-OE2 2.58Å; R14-E95 PolarHBondContact NE-OE2 3.27Å; R14-E95 IonicContact NH2-OE1 2.76Å; R14-E95 PolarHBondContact NH2-OE1 3.05Å; R14-E95 IonicContact NH2-OE2 3.48Å; R14-E95 PolarHBondContact NH2-OE2 3.12Å |
| 15 | S | 80.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74 | -20.4 | 176.6 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | G11 K12 L13 V17 I19 S102 L103 | G11-S15 WeakPolarHBondContact O-CB 3.34Å; G11-S15 PolarHBondContact O-N 2.71Å; G11-S15 PolarHBondContact O-OG 3.16Å; G11-S15 VanDerWaalsContact O-OG 3.12Å; K12-S15 PolarHBondContact O-OG 3.04Å; L13-S15 PolarHBondContact O-N 2.66Å; S15-V17 VanDerWaalsContact C-N 3.31Å; S15-I19 PolarHBondContact O-N 2.73Å; S15-S102 WeakPolarHBondContact CB-OG 3.45Å; S15-L103 WeakPolarHBondContact OG-CD2 3.33Å |
| 16 | G | 78.5 | Confident | 87.7 | Confident | 33 Ų | 33 | 49.1 Ų | 49.1 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.6 | -30.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K12 L13 R14 | K12-G16 PolarHBondContact O-N 2.89Å; L13-G16 PolarHBondContact O-N 2.96Å; R14-G16 VanDerWaalsContact C-N 3.31Å; R14-G16 PolarHBondContact O-N 3.33Å |
| 17 | V | 83.6 | Confident | 87.9 | Confident | 82 Ų | 82 | 45.5 Ų | 45.5 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -87.7 | -44.1 | 178.1 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | L13 R14 S15 P323 | L13-V17 PolarHBondContact O-N 3.11Å; R14-V17 PolarHBondContact O-N 2.87Å; R14-V17 VanDerWaalsContact O-N 3.16Å; S15-V17 VanDerWaalsContact C-N 3.31Å; V17-P323 HydrophobicContact CG1-CG 3.63Å; V17-P323 WeakPolarHBondContact O-CG 3.2Å |
| 18 | A | 84.1 | Confident | 88.4 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -76.1 | -40.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R14 | R14-A18 WeakPolarHBondContact O-CB 3.14Å; R14-A18 PolarHBondContact O-N 2.6Å |
| 19 | I | 91.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -133.8 | 84.1 | -178 | -53.1 | -71.2 | 0 | 0 | 0 | 108.5 | S15 Q24 C25 E28 A96 I100 L103 F151 R158 | S15-I19 PolarHBondContact O-N 2.73Å; I19-Q24 HydrophobicContact CD1-CG 4.45Å; I19-C25 HydrophobicContact CG2-CB 3.83Å; I19-E28 HydrophobicContact CD1-CB 4.38Å; I19-E28 HydrophobicContact CD1-CG 3.82Å; I19-A96 HydrophobicContact CD1-CB 4.44Å; I19-I100 HydrophobicContact CD1-CG1 4.39Å; I19-I100 HydrophobicContact CG1-CG1 4.18Å; I19-L103 HydrophobicContact CB-CD1 4.28Å; I19-F151 HydrophobicContact CG2-CZ 3.86Å; I19-R158 PolarHBondContact O-NH2 3.39Å | ||
| 20 | P | 89.9 | Confident | 89.8 | Confident | 69 Ų | 69 | 34.4 Ų | 34.4 | 45% | 0.448 | 18% | 0.182 | S | C | . | . | trans | -75.7 | -29.9 | -173.2 | 28.1 | -35 | 0 | 0 | 0 | 114.5 | Q24 R158 | P20-Q24 HydrophobicContact CG-CB 4.38Å; P20-R158 VanDerWaalsContact CA-NH2 3.26Å; P20-R158 PolarHBondContact O-NH2 3.25Å | ||
| 21 | S | 92.1 | Very high | 90.2 | Very high | 25 Ų | 25 | 28.5 Ų | 28.5 | 18% | 0.175 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -133.5 | 171.2 | -172.7 | 59 | 0 | 0 | 0 | 0 | 112.4 | Q23 Q24 C25 E167 | S21-Q23 VanDerWaalsContact C-N 3.32Å; S21-Q24 PolarHBondContact OG-N 3.29Å; S21-C25 PolarHBondContact O-N 3.11Å; S21-E167 WeakPolarHBondContact CB-OE2 3.37Å |
| 22 | L | 93.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.5 | -32.5 | 170.9 | -165.6 | 70.7 | 0 | 0 | 0 | 110.3 | Q24 C25 V26 M47 V52 F151 E167 I171 | L22-Q24 PolarHBondContact O-N 2.85Å; L22-C25 WeakPolarHBondContact O-CB 3.44Å; L22-C25 PolarHBondContact O-N 3.08Å; L22-C25 VanDerWaalsContact O-N 3.16Å; L22-V26 PolarHBondContact O-N 2.85Å; L22-M47 HydrophobicContact CD2-CE 3.8Å; L22-M47 HydrophobicContact CD2-SD 3.5Å; L22-M47 WeakPolarHBondContact CD2-SD 3.27Å; L22-V52 HydrophobicContact CD1-CG2 3.8Å; L22-V52 HydrophobicContact CD2-CG2 4.11Å; L22-V52 HydrophobicContact CG-CG2 4.12Å; L22-F151 HydrophobicContact CD1-CB 4.34Å; L22-F151 HydrophobicContact CD1-CD1 3.44Å; L22-F151 VanDerWaalsContact CD1-CD1 3.44Å; L22-F151 HydrophobicContact CD1-CE1 3.91Å; L22-F151 HydrophobicContact CD1-CG 4.08Å; L22-E167 PolarHBondContact N-OE2 2.73Å; L22-I171 HydrophobicContact CB-CD1 4.4Å; L22-I171 HydrophobicContact CD2-CD1 3.95Å; L22-I171 HydrophobicContact CG-CD1 4.08Å |
| 23 | Q | 94.6 | Very high | 91.6 | Very high | 30 Ų | 30 | 26.7 Ų | 26.7 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.1 | -53.7 | 169 | -174.9 | -144.1 | -57.4 | 0 | 0 | 111.8 | S21 C25 V26 E27 E167 R170 I171 R174 | S21-Q23 VanDerWaalsContact C-N 3.32Å; Q23-C25 PolarHBondContact O-N 2.94Å; Q23-V26 PolarHBondContact O-N 2.9Å; Q23-E27 PolarHBondContact NE2-OE2 3.3Å; Q23-E27 VanDerWaalsContact O-CB 3.26Å; Q23-E27 WeakPolarHBondContact O-CB 3.5Å; Q23-E27 PolarHBondContact O-N 2.89Å; Q23-E167 PolarHBondContact N-OE2 3.24Å; Q23-R170 HydrophobicContact CB-CB 4.24Å; Q23-R170 HydrophobicContact CG-CB 4.17Å; Q23-I171 HydrophobicContact CB-CG1 4.29Å; Q23-R174 HydrophobicContact CG-CB 3.98Å; Q23-R174 HydrophobicContact CG-CG 4.22Å; Q23-R174 VanDerWaalsContact NE2-CZ 3.31Å |
| 24 | Q | 94.3 | Very high | 92.1 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 5% | 0.051 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.6 | -32 | -179.7 | -163.1 | 71.8 | 43.7 | 0 | 0 | 111.8 | I19 P20 S21 L22 E27 E28 | I19-Q24 HydrophobicContact CD1-CG 4.45Å; P20-Q24 HydrophobicContact CG-CB 4.38Å; S21-Q24 PolarHBondContact OG-N 3.29Å; L22-Q24 PolarHBondContact O-N 2.85Å; Q24-E27 PolarHBondContact O-N 3.13Å; Q24-E28 HydrophobicContact CG-CG 4.31Å; Q24-E28 PolarHBondContact NE2-OE1 3.18Å; Q24-E28 WeakPolarHBondContact O-CG 3.3Å; Q24-E28 PolarHBondContact O-N 3.35Å |
| 25 | C | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -44.1 | 175.9 | -170 | 0 | 0 | 0 | 0 | 112 | I19 S21 L22 Q23 L29 I148 F151 | I19-C25 HydrophobicContact CG2-CB 3.83Å; S21-C25 PolarHBondContact O-N 3.11Å; L22-C25 WeakPolarHBondContact O-CB 3.44Å; L22-C25 PolarHBondContact O-N 3.08Å; L22-C25 VanDerWaalsContact O-N 3.16Å; Q23-C25 PolarHBondContact O-N 2.94Å; C25-L29 VanDerWaalsContact O-CG 3.29Å; C25-L29 WeakPolarHBondContact O-CG 3.29Å; C25-L29 PolarHBondContact O-N 3.47Å; C25-I148 VanDerWaalsContact SG-CD1 3.53Å; C25-F151 HydrophobicContact CB-CE1 4.12Å; C25-F151 HydrophobicContact CB-CZ 3.89Å |
| 26 | V | 97.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.5 | -43.1 | 174.5 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | L22 Q23 L29 V30 V43 V52 I171 V175 | L22-V26 PolarHBondContact O-N 2.85Å; Q23-V26 PolarHBondContact O-N 2.9Å; V26-L29 PolarHBondContact O-N 2.97Å; V26-V30 HydrophobicContact CG1-CG2 4.02Å; V26-V30 WeakPolarHBondContact O-CG2 3.46Å; V26-V30 PolarHBondContact O-N 3.16Å; V26-V43 HydrophobicContact CG1-CG1 3.83Å; V26-V43 HydrophobicContact CG1-CG2 4.07Å; V26-V43 HydrophobicContact CG2-CG1 4.39Å; V26-V52 HydrophobicContact CG2-CG1 3.98Å; V26-V52 HydrophobicContact CG2-CG2 4.36Å; V26-I171 HydrophobicContact CB-CG2 4.32Å; V26-I171 HydrophobicContact CG1-CG2 4.02Å; V26-I171 HydrophobicContact CG2-CD1 4.13Å; V26-I171 HydrophobicContact CG2-CG1 4.2Å; V26-I171 HydrophobicContact CG2-CG2 4.17Å; V26-V175 HydrophobicContact CG1-CG2 4.35Å |
| 27 | E | 95.9 | Very high | 94.3 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.3 | -52.6 | -179.3 | -174.3 | 168 | 178.1 | 0 | 0 | 112.1 | Q23 Q24 L29 V30 L31 R174 | Q23-E27 PolarHBondContact NE2-OE2 3.3Å; Q23-E27 VanDerWaalsContact O-CB 3.26Å; Q23-E27 WeakPolarHBondContact O-CB 3.5Å; Q23-E27 PolarHBondContact O-N 2.89Å; Q24-E27 PolarHBondContact O-N 3.13Å; E27-L29 VanDerWaalsContact C-N 3.28Å; E27-L29 PolarHBondContact O-N 3.25Å; E27-V30 PolarHBondContact O-N 2.87Å; E27-L31 HydrophobicContact CG-CD1 4.15Å; E27-L31 WeakPolarHBondContact O-CB 3.48Å; E27-L31 VanDerWaalsContact O-CG 3.23Å; E27-L31 WeakPolarHBondContact O-CG 3.33Å; E27-L31 PolarHBondContact O-N 2.82Å; E27-R174 HydrophobicContact CB-CG 4.06Å; E27-R174 VanDerWaalsContact CD-NH1 3.33Å; E27-R174 HydrophobicContact CG-CG 3.88Å; E27-R174 WeakPolarHBondContact OE1-CD 3.45Å; E27-R174 IonicContact OE1-CZ 2.68Å; E27-R174 IonicContact OE1-NE 3.52Å; E27-R174 IonicContact OE1-NH1 2.92Å; E27-R174 PolarHBondContact OE1-NH1 2.88Å; E27-R174 VanDerWaalsContact OE2-CD 3.31Å; E27-R174 WeakPolarHBondContact OE2-CD 3.42Å; E27-R174 VanDerWaalsContact OE2-CG 3.31Å; E27-R174 WeakPolarHBondContact OE2-CG 3.47Å; E27-R174 IonicContact OE2-CZ 2.76Å; E27-R174 IonicContact OE2-NE 2.94Å; E27-R174 IonicContact OE2-NH1 3.26Å; E27-R174 PolarHBondContact OE2-NH1 2.96Å |
| 28 | E | 95.9 | Very high | 94.9 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.6 | -35.7 | 176.3 | -71.6 | -64.2 | 121.4 | 0 | 0 | 112.3 | I19 Q24 N32 A96 K325 | I19-E28 HydrophobicContact CD1-CB 4.38Å; I19-E28 HydrophobicContact CD1-CG 3.82Å; Q24-E28 HydrophobicContact CG-CG 4.31Å; Q24-E28 PolarHBondContact NE2-OE1 3.18Å; Q24-E28 WeakPolarHBondContact O-CG 3.3Å; Q24-E28 PolarHBondContact O-N 3.35Å; E28-N32 WeakPolarHBondContact O-CB 3.3Å; E28-N32 PolarHBondContact O-N 2.84Å; E28-N32 PolarHBondContact O-ND2 2.81Å; E28-A96 HydrophobicContact CB-CB 4.01Å; E28-A96 HydrophobicContact CG-CB 4.12Å; E28-K325 IonicContact OE1-NZ 2.8Å; E28-K325 PolarHBondContact OE1-NZ 2.99Å; E28-K325 IonicContact OE2-NZ 3.2Å; E28-K325 PolarHBondContact OE2-NZ 3.11Å |
| 29 | L | 97.6 | Very high | 95.6 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.5 | -47.6 | 177.4 | -71.5 | 176.2 | 0 | 0 | 0 | 112.2 | C25 V26 E27 L31 N32 S33 V54 L97 I100 V146 I148 | C25-L29 VanDerWaalsContact O-CG 3.29Å; C25-L29 WeakPolarHBondContact O-CG 3.29Å; C25-L29 PolarHBondContact O-N 3.47Å; V26-L29 PolarHBondContact O-N 2.97Å; E27-L29 VanDerWaalsContact C-N 3.28Å; E27-L29 PolarHBondContact O-N 3.25Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 3.26Å; L29-N32 WeakPolarHBondContact O-CB 3.34Å; L29-N32 PolarHBondContact O-N 3.41Å; L29-N32 VanDerWaalsContact O-N 3.11Å; L29-S33 PolarHBondContact O-N 3.4Å; L29-S33 PolarHBondContact O-OG 3.34Å; L29-V54 HydrophobicContact CB-CB 4.09Å; L29-V54 HydrophobicContact CB-CG1 4.19Å; L29-V54 HydrophobicContact CB-CG2 3.78Å; L29-V54 HydrophobicContact CD1-CB 4.15Å; L29-V54 HydrophobicContact CD1-CG2 3.63Å; L29-V54 HydrophobicContact CG-CG2 4.38Å; L29-L97 HydrophobicContact CD2-CD2 3.67Å; L29-I100 HydrophobicContact CD2-CD1 4.29Å; L29-I100 HydrophobicContact CG-CD1 4.29Å; L29-V146 HydrophobicContact CD1-CB 4.45Å; L29-V146 HydrophobicContact CD1-CG1 4.27Å; L29-V146 HydrophobicContact CD2-CB 4.08Å; L29-V146 HydrophobicContact CD2-CG1 3.97Å; L29-V146 HydrophobicContact CD2-CG2 4.03Å; L29-I148 HydrophobicContact CD1-CD1 3.77Å |
| 30 | V | 97.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.6 | -41.6 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | V26 E27 S33 I34 V41 V43 V178 F187 | V26-V30 HydrophobicContact CG1-CG2 4.02Å; V26-V30 WeakPolarHBondContact O-CG2 3.46Å; V26-V30 PolarHBondContact O-N 3.16Å; E27-V30 PolarHBondContact O-N 2.87Å; V30-S33 PolarHBondContact O-N 2.86Å; V30-I34 HydrophobicContact CG1-CD1 4.08Å; V30-I34 WeakPolarHBondContact O-CG1 3.25Å; V30-I34 PolarHBondContact O-N 3.24Å; V30-V41 HydrophobicContact CG1-CG1 4.43Å; V30-V41 HydrophobicContact CG2-CG1 4.15Å; V30-V43 HydrophobicContact CG2-CG2 3.71Å; V30-V178 HydrophobicContact CG1-CG1 4.29Å; V30-F187 HydrophobicContact CG1-CD1 4.33Å; V30-F187 HydrophobicContact CG1-CE1 3.81Å |
| 31 | L | 96.2 | Very high | 96.3 | Very high | 13 Ų | 13 | 26 Ų | 26 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.7 | -35 | 174.9 | -68.1 | -179.8 | 0 | 0 | 0 | 112.6 | E27 L29 I34 D35 Y90 V178 | E27-L31 HydrophobicContact CG-CD1 4.15Å; E27-L31 WeakPolarHBondContact O-CB 3.48Å; E27-L31 VanDerWaalsContact O-CG 3.23Å; E27-L31 WeakPolarHBondContact O-CG 3.33Å; E27-L31 PolarHBondContact O-N 2.82Å; L29-L31 VanDerWaalsContact C-N 3.31Å; L29-L31 PolarHBondContact O-N 3.26Å; L31-I34 HydrophobicContact CD2-CD1 4.24Å; L31-I34 PolarHBondContact O-N 3.4Å; L31-D35 PolarHBondContact O-N 3.18Å; L31-Y90 HydrophobicContact CB-CG 4.28Å; L31-Y90 HydrophobicContact CD1-CD1 4.08Å; L31-Y90 HydrophobicContact CD1-CG 4.5Å; L31-Y90 HydrophobicContact CD2-CD1 3.56Å; L31-Y90 HydrophobicContact CD2-CD2 4.49Å; L31-Y90 HydrophobicContact CD2-CE1 3.89Å; L31-Y90 HydrophobicContact CD2-CG 3.89Å; L31-Y90 HydrophobicContact CG-CD1 4.28Å; L31-Y90 HydrophobicContact CG-CG 4.44Å; L31-V178 HydrophobicContact CD2-CG1 4.05Å; L31-V178 HydrophobicContact CD2-CG2 4.31Å |
| 32 | N | 96.4 | Very high | 96.6 | Very high | 41 Ų | 41 | 25.4 Ų | 25.4 | 22% | 0.219 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66 | -37.1 | 172.5 | -83.6 | -62.9 | 0 | 0 | 0 | 112.4 | E28 L29 D35 A36 K77 | E28-N32 WeakPolarHBondContact O-CB 3.3Å; E28-N32 PolarHBondContact O-N 2.84Å; E28-N32 PolarHBondContact O-ND2 2.81Å; L29-N32 WeakPolarHBondContact O-CB 3.34Å; L29-N32 PolarHBondContact O-N 3.41Å; L29-N32 VanDerWaalsContact O-N 3.11Å; N32-D35 PolarHBondContact O-N 3.43Å; N32-A36 WeakPolarHBondContact O-CB 3.39Å; N32-A36 PolarHBondContact O-N 2.96Å; N32-K77 PolarHBondContact OD1-NZ 2.96Å |
| 33 | S | 97.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 4% | 0.035 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.3 | -37.2 | 173.2 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | L29 V30 A36 R37 A38 D56 | L29-S33 PolarHBondContact O-N 3.4Å; L29-S33 PolarHBondContact O-OG 3.34Å; V30-S33 PolarHBondContact O-N 2.86Å; S33-A36 CarbonylContact O-C 3.54Å; S33-A36 PolarHBondContact O-N 3.24Å; S33-R37 PolarHBondContact O-N 3.06Å; S33-A38 WeakPolarHBondContact O-CB 3.38Å; S33-A38 PolarHBondContact O-N 3.22Å; S33-D56 VanDerWaalsContact CB-OD2 3.3Å; S33-D56 WeakPolarHBondContact CB-OD2 3.38Å; S33-D56 WeakPolarHBondContact OG-CB 3.47Å; S33-D56 PolarHBondContact OG-OD2 2.69Å |
| 34 | I | 96.9 | Very high | 97 | Very high | 18 Ų | 18 | 28.5 Ų | 28.5 | 9% | 0.092 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -47 | 174 | -71.1 | 163.9 | 0 | 0 | 0 | 110.9 | V30 L31 A36 R37 Y90 V178 H182 F187 | V30-I34 HydrophobicContact CG1-CD1 4.08Å; V30-I34 WeakPolarHBondContact O-CG1 3.25Å; V30-I34 PolarHBondContact O-N 3.24Å; L31-I34 HydrophobicContact CD2-CD1 4.24Å; L31-I34 PolarHBondContact O-N 3.4Å; I34-A36 PolarHBondContact O-N 2.95Å; I34-R37 WeakPolarHBondContact O-CA 3.47Å; I34-R37 PolarHBondContact O-N 3.4Å; I34-Y90 HydrophobicContact CG2-CD2 4.22Å; I34-Y90 HydrophobicContact CG2-CE2 3.92Å; I34-V178 HydrophobicContact CD1-CG1 3.51Å; I34-H182 VanDerWaalsContact CG2-CE1 3.49Å; I34-H182 WeakPolarHBondContact CG2-CE1 3.3Å; I34-F187 HydrophobicContact CD1-CE1 4.2Å; I34-F187 HydrophobicContact CD1-CZ 4.09Å |
| 35 | D | 96.1 | Very high | 97 | Very high | 30 Ų | 30 | 28 Ų | 28 | 16% | 0.16 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.1 | -36.6 | 172.5 | -79.8 | -28.3 | 0 | 0 | 0 | 112.1 | L31 N32 R37 K77 C89 Y90 G91 | L31-D35 PolarHBondContact O-N 3.18Å; N32-D35 PolarHBondContact O-N 3.43Å; D35-R37 PolarHBondContact O-N 2.85Å; D35-R37 VanDerWaalsContact O-N 3.13Å; D35-K77 HydrophobicContact CB-CD 4.35Å; D35-K77 WeakPolarHBondContact OD2-CE 3.41Å; D35-K77 IonicContact OD2-NZ 3.91Å; D35-K77 PolarHBondContact OD2-NZ 2.91Å; D35-C89 VanDerWaalsContact OD1-CA 3.28Å; D35-C89 WeakPolarHBondContact OD1-CA 3.46Å; D35-C89 WeakPolarHBondContact OD1-CB 3.46Å; D35-Y90 WeakPolarHBondContact OD1-CD2 3.27Å; D35-Y90 PolarHBondContact OD1-N 3.28Å; D35-Y90 PolarHBondContact OD2-N 3.19Å; D35-G91 PolarHBondContact OD2-N 3.43Å |
| 36 | A | 96.2 | Very high | 97 | Very high | 22 Ų | 22 | 29.9 Ų | 29.9 | 18% | 0.182 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 10.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N32 S33 I34 A38 G58 S59 | N32-A36 WeakPolarHBondContact O-CB 3.39Å; N32-A36 PolarHBondContact O-N 2.96Å; S33-A36 CarbonylContact O-C 3.54Å; S33-A36 PolarHBondContact O-N 3.24Å; I34-A36 PolarHBondContact O-N 2.95Å; A36-A38 VanDerWaalsContact C-N 3.27Å; A36-A38 PolarHBondContact O-N 3.15Å; A36-G58 CarbonylContact O-C 3.45Å; A36-G58 WeakPolarHBondContact O-CA 3.39Å; A36-S59 PolarHBondContact O-N 3.19Å |
| 37 | R | 96.4 | Very high | 96.7 | Very high | 213 Ų | 213 | 30.6 Ų | 30.6 | 80% | 0.804 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 35.5 | -179.8 | -53.2 | -179.2 | -176.1 | 171.2 | 1.6 | 113.3 | S33 I34 D35 | S33-R37 PolarHBondContact O-N 3.06Å; I34-R37 WeakPolarHBondContact O-CA 3.47Å; I34-R37 PolarHBondContact O-N 3.4Å; D35-R37 PolarHBondContact O-N 2.85Å; D35-R37 VanDerWaalsContact O-N 3.13Å |
| 38 | A | 97.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | trans | -62.4 | 146.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | S33 A36 V41 D56 V185 | S33-A38 WeakPolarHBondContact O-CB 3.38Å; S33-A38 PolarHBondContact O-N 3.22Å; A36-A38 VanDerWaalsContact C-N 3.27Å; A36-A38 PolarHBondContact O-N 3.15Å; A38-V41 HydrophobicContact CB-CG2 3.97Å; A38-D56 HydrophobicContact CB-CB 3.8Å; A38-V185 WeakPolarHBondContact O-CG2 3.5Å | ||
| 39 | T | 97.6 | Very high | 96.1 | Very high | 49 Ų | 49 | 39.3 Ų | 39.3 | 30% | 0.301 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -116.1 | -2.6 | 173.4 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | N57 V185 S186 K203 | T39-N57 PolarHBondContact N-OD1 3.2Å; T39-N57 PolarHBondContact OG1-ND2 3.43Å; T39-V185 WeakPolarHBondContact O-CA 3.38Å; T39-S186 PolarHBondContact O-N 3.08Å; T39-S186 PolarHBondContact O-OG 2.95Å; T39-K203 VanDerWaalsContact CB-NZ 3.31Å; T39-K203 WeakPolarHBondContact O-CE 3.48Å; T39-K203 PolarHBondContact OG1-NZ 3.35Å; T39-K203 VanDerWaalsContact OG1-NZ 3.16Å |
| 40 | C | 97.9 | Very high | 95.9 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 32% | 0.324 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 132.1 | 166.9 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | D56 N57 S186 | C40-D56 WeakPolarHBondContact O-CA 3.31Å; C40-N57 PolarHBondContact N-OD1 2.87Å; C40-N57 PolarHBondContact O-N 2.82Å; C40-N57 PolarHBondContact O-OD1 2.91Å; C40-S186 CarbonylContact C-O 3.59Å; C40-S186 WeakPolarHBondContact CA-O 3.37Å; C40-S186 WeakPolarHBondContact CA-OG 3.3Å; C40-S186 WeakPolarHBondContact CB-OG 3.17Å; C40-S186 PolarHBondContact SG-OG 3.01Å |
| 41 | V | 98.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.1 | 175.3 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | V30 A38 V54 I55 D56 V185 S186 F187 T188 | V30-V41 HydrophobicContact CG1-CG1 4.43Å; V30-V41 HydrophobicContact CG2-CG1 4.15Å; A38-V41 HydrophobicContact CB-CG2 3.97Å; V41-V54 HydrophobicContact CG1-CG1 4.03Å; V41-I55 CarbonylContact C-O 3.59Å; V41-I55 WeakPolarHBondContact CA-O 3.38Å; V41-D56 HydrophobicContact CG2-CB 4.34Å; V41-V185 HydrophobicContact CG2-CG1 4.03Å; V41-S186 PolarHBondContact N-O 3.35Å; V41-F187 HydrophobicContact CB-CD1 4.15Å; V41-F187 HydrophobicContact CB-CE1 4.33Å; V41-F187 HydrophobicContact CG2-CE1 4.46Å; V41-F187 WeakPolarHBondContact O-CA 3.2Å; V41-T188 PolarHBondContact O-N 3.21Å |
| 42 | G | 97.9 | Very high | 95.9 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V54 I55 T188 | G42-V54 WeakPolarHBondContact O-CA 3.25Å; G42-I55 PolarHBondContact N-O 3.39Å; G42-I55 PolarHBondContact O-N 3.19Å; G42-T188 VanDerWaalsContact CA-OG1 3.28Å; G42-T188 WeakPolarHBondContact CA-OG1 3.3Å |
| 43 | V | 98.5 | Very high | 96 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.6 | 175.3 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | V26 V30 Q53 V54 T188 L189 K190 | V26-V43 HydrophobicContact CG1-CG1 3.83Å; V26-V43 HydrophobicContact CG1-CG2 4.07Å; V26-V43 HydrophobicContact CG2-CG1 4.39Å; V30-V43 HydrophobicContact CG2-CG2 3.71Å; V43-Q53 CarbonylContact C-O 3.59Å; V43-Q53 WeakPolarHBondContact CA-O 3.46Å; V43-V54 HydrophobicContact CG1-CG2 4.3Å; V43-V54 HydrophobicContact CG2-CG2 4.21Å; V43-T188 PolarHBondContact N-O 3.31Å; V43-L189 HydrophobicContact CB-CD1 3.64Å; V43-L189 HydrophobicContact CG1-CD1 3.48Å; V43-L189 VanDerWaalsContact CG1-CD1 3.48Å; V43-L189 CarbonylContact O-C 3.59Å; V43-L189 WeakPolarHBondContact O-CA 3.24Å; V43-K190 PolarHBondContact O-N 3.32Å |
| 44 | R | 97.8 | Very high | 96 | Very high | 96 Ų | 96 | 43.3 Ų | 43.3 | 36% | 0.362 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.8 | 173 | -58.4 | 179.2 | 66.5 | 153.3 | -0.5 | 108.5 | V52 Q53 K190 D192 | R44-V52 CarbonylContact O-C 3.3Å; R44-V52 WeakPolarHBondContact O-CA 3.48Å; R44-Q53 HydrophobicContact CB-CB 4.31Å; R44-Q53 PolarHBondContact N-O 3.01Å; R44-Q53 PolarHBondContact O-N 2.96Å; R44-K190 WeakPolarHBondContact CA-O 3.46Å; R44-K190 HydrophobicContact CG-CB 4.48Å; R44-D192 IonicContact CZ-OD1 3.37Å; R44-D192 IonicContact CZ-OD2 3.73Å; R44-D192 VanDerWaalsContact CZ-OD2 3.26Å; R44-D192 IonicContact NE-OD1 2.94Å; R44-D192 IonicContact NE-OD2 2.72Å; R44-D192 PolarHBondContact NE-OD2 2.76Å; R44-D192 IonicContact NH2-OD1 2.78Å; R44-D192 PolarHBondContact NH2-OD1 2.88Å; R44-D192 IonicContact NH2-OD2 2.67Å; R44-D192 PolarHBondContact NH2-OD2 3Å |
| 45 | M | 95.9 | Very high | 96 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 142 | -177.2 | 61.3 | -173.6 | 173.8 | 0 | 0 | 112 | K51 V52 V168 I171 L189 K190 N191 D192 M198 | M45-K51 WeakPolarHBondContact CA-O 3.42Å; M45-V52 HydrophobicContact CB-CG2 4.33Å; M45-V168 HydrophobicContact CE-CB 4.27Å; M45-V168 HydrophobicContact CE-CG1 3.76Å; M45-V168 HydrophobicContact CE-CG2 3.94Å; M45-V168 HydrophobicContact SD-CG2 4.03Å; M45-I171 HydrophobicContact SD-CB 4.49Å; M45-I171 HydrophobicContact SD-CD1 4.03Å; M45-I171 HydrophobicContact SD-CG2 4.14Å; M45-L189 HydrophobicContact CE-CD1 3.8Å; M45-L189 HydrophobicContact CE-CD2 3.82Å; M45-L189 HydrophobicContact CE-CG 3.78Å; M45-L189 HydrophobicContact CG-CD1 4.43Å; M45-L189 HydrophobicContact SD-CD1 3.9Å; M45-K190 PolarHBondContact N-O 3.23Å; M45-N191 WeakPolarHBondContact O-CA 3.34Å; M45-D192 PolarHBondContact O-N 2.86Å; M45-M198 HydrophobicContact CE-SD 3.54Å; M45-M198 VanDerWaalsContact CE-SD 3.54Å |
| 46 | D | 94.7 | Very high | 96.2 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 109.1 | 175.4 | 167.6 | -7.7 | 0 | 0 | 0 | 107 | E48 A49 F50 K51 C193 | D46-E48 PolarHBondContact OD1-N 2.79Å; D46-A49 HydrophobicContact CB-CB 4.49Å; D46-A49 PolarHBondContact OD1-N 2.99Å; D46-A49 VanDerWaalsContact OD2-CB 3.3Å; D46-A49 WeakPolarHBondContact OD2-CB 3.27Å; D46-F50 CarbonylContact O-C 3.54Å; D46-F50 WeakPolarHBondContact O-CA 3.34Å; D46-F50 PolarHBondContact O-N 3.12Å; D46-F50 VanDerWaalsContact O-N 3.12Å; D46-K51 HydrophobicContact CB-CB 4.23Å; D46-K51 PolarHBondContact N-O 3.08Å; D46-K51 PolarHBondContact O-N 2.97Å; D46-C193 VanDerWaalsContact CA-SG 3.52Å; D46-C193 PolarHBondContact OD1-SG 3.1Å |
| 47 | M | 91.2 | Very high | 96.2 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -16.5 | -173.8 | -63.3 | -58.2 | -71.8 | 0 | 0 | 112.9 | L22 F50 V162 A164 E167 V168 C193 | L22-M47 HydrophobicContact CD2-CE 3.8Å; L22-M47 HydrophobicContact CD2-SD 3.5Å; L22-M47 WeakPolarHBondContact CD2-SD 3.27Å; M47-F50 VanDerWaalsContact O-CD2 3.3Å; M47-F50 WeakPolarHBondContact O-CD2 3.43Å; M47-F50 WeakPolarHBondContact O-CE2 3.46Å; M47-V162 HydrophobicContact CE-CG1 3.9Å; M47-A164 HydrophobicContact CB-CB 4.06Å; M47-A164 HydrophobicContact CE-CB 4.33Å; M47-A164 HydrophobicContact CG-CB 4.46Å; M47-E167 HydrophobicContact CE-CB 3.88Å; M47-V168 HydrophobicContact CE-CG2 4.37Å; M47-V168 HydrophobicContact CG-CG2 3.49Å; M47-V168 VanDerWaalsContact CG-CG2 3.49Å; M47-V168 HydrophobicContact SD-CG2 3.91Å; M47-C193 PolarHBondContact N-SG 3.2Å |
| 48 | E | 89.4 | Confident | 96.2 | Very high | 163 Ų | 163 | 35.2 Ų | 35.2 | 76% | 0.762 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -46.5 | 176.9 | -64.1 | -179.9 | -162.9 | 0 | 0 | 109.7 | D46 F50 | D46-E48 PolarHBondContact OD1-N 2.79Å; E48-F50 VanDerWaalsContact C-N 3.27Å; E48-F50 PolarHBondContact O-N 3.39Å |
| 49 | A | 90.5 | Very high | 96.2 | Very high | 42 Ų | 42 | 38 Ų | 38 | 35% | 0.347 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D46 K51 N150 | D46-A49 HydrophobicContact CB-CB 4.49Å; D46-A49 PolarHBondContact OD1-N 2.99Å; D46-A49 VanDerWaalsContact OD2-CB 3.3Å; D46-A49 WeakPolarHBondContact OD2-CB 3.27Å; A49-K51 HydrophobicContact CB-CB 4.01Å; A49-K51 PolarHBondContact O-N 3.16Å; A49-N150 PolarHBondContact O-N 3.44Å |
| 50 | F | 93 | Very high | 96.1 | Very high | 31 Ų | 31 | 36.1 Ų | 36.1 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 48.2 | -167.9 | -74.3 | -111.1 | 0 | 0 | 0 | 111 | D46 M47 E48 N150 F151 R159 V162 | D46-F50 CarbonylContact O-C 3.54Å; D46-F50 WeakPolarHBondContact O-CA 3.34Å; D46-F50 PolarHBondContact O-N 3.12Å; D46-F50 VanDerWaalsContact O-N 3.12Å; M47-F50 VanDerWaalsContact O-CD2 3.3Å; M47-F50 WeakPolarHBondContact O-CD2 3.43Å; M47-F50 WeakPolarHBondContact O-CE2 3.46Å; E48-F50 VanDerWaalsContact C-N 3.27Å; E48-F50 PolarHBondContact O-N 3.39Å; F50-N150 PolarHBondContact O-N 2.79Å; F50-N150 VanDerWaalsContact O-N 3.14Å; F50-F151 HydrophobicContact CB-CB 4.39Å; F50-F151 PolarHBondContact O-N 2.9Å; F50-R159 HydrophobicContact CD1-CG 3.95Å; F50-R159 VanDerWaalsContact CD2-NH2 3.26Å; F50-R159 HydrophobicContact CE1-CG 3.45Å; F50-R159 VanDerWaalsContact CE1-CG 3.45Å; F50-R159 HydrophobicContact CE2-CG 4.22Å; F50-R159 HydrophobicContact CZ-CG 3.6Å; F50-V162 HydrophobicContact CE1-CB 3.99Å; F50-V162 HydrophobicContact CE1-CG1 3.97Å; F50-V162 HydrophobicContact CE1-CG2 4.18Å; F50-V162 HydrophobicContact CZ-CB 4.34Å; F50-V162 HydrophobicContact CZ-CG1 4.28Å |
| 51 | K | 95.8 | Very high | 96 | Very high | 81 Ų | 81 | 35.9 Ų | 35.9 | 35% | 0.352 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.3 | -176.2 | 174.4 | -177.8 | -179.6 | -176.2 | 0 | 110.5 | M45 D46 A49 I148 | M45-K51 WeakPolarHBondContact CA-O 3.42Å; D46-K51 HydrophobicContact CB-CB 4.23Å; D46-K51 PolarHBondContact N-O 3.08Å; D46-K51 PolarHBondContact O-N 2.97Å; A49-K51 HydrophobicContact CB-CB 4.01Å; A49-K51 PolarHBondContact O-N 3.16Å; K51-I148 CarbonylContact C-O 3.48Å; K51-I148 WeakPolarHBondContact CA-O 3.39Å; K51-I148 WeakPolarHBondContact CG-O 3.49Å |
| 52 | V | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.2 | 174.6 | 166.9 | 0 | 0 | 0 | 0 | 108.6 | L22 V26 R44 M45 V54 I148 | L22-V52 HydrophobicContact CD1-CG2 3.8Å; L22-V52 HydrophobicContact CD2-CG2 4.11Å; L22-V52 HydrophobicContact CG-CG2 4.12Å; V26-V52 HydrophobicContact CG2-CG1 3.98Å; V26-V52 HydrophobicContact CG2-CG2 4.36Å; R44-V52 CarbonylContact O-C 3.3Å; R44-V52 WeakPolarHBondContact O-CA 3.48Å; M45-V52 HydrophobicContact CB-CG2 4.33Å; V52-V54 HydrophobicContact CG1-CG2 4.16Å; V52-I148 PolarHBondContact N-O 3.16Å; V52-I148 PolarHBondContact O-N 3.34Å |
| 53 | Q | 98.1 | Very high | 95.6 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 16% | 0.164 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.5 | 171.9 | 169.1 | 173.2 | 47.9 | 0 | 0 | 108.9 | V43 R44 I55 T145 V146 I147 | V43-Q53 CarbonylContact C-O 3.59Å; V43-Q53 WeakPolarHBondContact CA-O 3.46Å; R44-Q53 HydrophobicContact CB-CB 4.31Å; R44-Q53 PolarHBondContact N-O 3.01Å; R44-Q53 PolarHBondContact O-N 2.96Å; Q53-I55 HydrophobicContact CG-CD1 3.97Å; Q53-I55 HydrophobicContact CG-CG1 3.81Å; Q53-T145 HydrophobicContact CG-CG2 4.37Å; Q53-V146 CarbonylContact C-O 3.58Å; Q53-V146 VanDerWaalsContact CA-O 3.3Å; Q53-V146 WeakPolarHBondContact CA-O 3.31Å; Q53-I147 HydrophobicContact CB-CG1 4.44Å; Q53-I147 HydrophobicContact CB-CG2 4.46Å; Q53-I147 HydrophobicContact CG-CG1 4.09Å |
| 54 | V | 98.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.8 | 172 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | L29 V41 G42 V43 V52 T145 V146 | L29-V54 HydrophobicContact CB-CB 4.09Å; L29-V54 HydrophobicContact CB-CG1 4.19Å; L29-V54 HydrophobicContact CB-CG2 3.78Å; L29-V54 HydrophobicContact CD1-CB 4.15Å; L29-V54 HydrophobicContact CD1-CG2 3.63Å; L29-V54 HydrophobicContact CG-CG2 4.38Å; V41-V54 HydrophobicContact CG1-CG1 4.03Å; G42-V54 WeakPolarHBondContact O-CA 3.25Å; V43-V54 HydrophobicContact CG1-CG2 4.3Å; V43-V54 HydrophobicContact CG2-CG2 4.21Å; V52-V54 HydrophobicContact CG1-CG2 4.16Å; V54-T145 CarbonylContact O-C 3.42Å; V54-T145 WeakPolarHBondContact O-CA 3.34Å; V54-V146 PolarHBondContact N-O 2.84Å; V54-V146 PolarHBondContact O-N 3.32Å |
| 55 | I | 98.1 | Very high | 95.2 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 30% | 0.297 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.1 | -175.5 | -59.2 | 160.5 | 0 | 0 | 0 | 107.8 | V41 G42 Q53 T145 | V41-I55 CarbonylContact C-O 3.59Å; V41-I55 WeakPolarHBondContact CA-O 3.38Å; G42-I55 PolarHBondContact N-O 3.39Å; G42-I55 PolarHBondContact O-N 3.19Å; Q53-I55 HydrophobicContact CG-CD1 3.97Å; Q53-I55 HydrophobicContact CG-CG1 3.81Å; I55-T145 HydrophobicContact CG1-CG2 3.95Å |
| 56 | D | 98.4 | Very high | 95.1 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 167.1 | 175.9 | 75.5 | 59.3 | 0 | 0 | 0 | 113.7 | S33 A38 C40 V41 G58 R139 G143 T144 | S33-D56 VanDerWaalsContact CB-OD2 3.3Å; S33-D56 WeakPolarHBondContact CB-OD2 3.38Å; S33-D56 WeakPolarHBondContact OG-CB 3.47Å; S33-D56 PolarHBondContact OG-OD2 2.69Å; A38-D56 HydrophobicContact CB-CB 3.8Å; C40-D56 WeakPolarHBondContact O-CA 3.31Å; V41-D56 HydrophobicContact CG2-CB 4.34Å; D56-G58 PolarHBondContact OD1-N 2.9Å; D56-R139 PolarHBondContact O-NH2 3.48Å; D56-G143 WeakPolarHBondContact OD1-CA 3.46Å; D56-T144 PolarHBondContact N-O 2.88Å; D56-T144 PolarHBondContact OD1-N 3.38Å |
| 57 | N | 97.5 | Very high | 95.1 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | trans | -114.6 | 35.2 | 173.9 | 72.9 | -5.9 | 0 | 0 | 0 | 114 | T39 C40 A142 | T39-N57 PolarHBondContact N-OD1 3.2Å; T39-N57 PolarHBondContact OG1-ND2 3.43Å; C40-N57 PolarHBondContact N-OD1 2.87Å; C40-N57 PolarHBondContact O-N 2.82Å; C40-N57 PolarHBondContact O-OD1 2.91Å; N57-A142 VanDerWaalsContact CA-O 3.32Å; N57-A142 WeakPolarHBondContact CA-O 3.45Å | ||
| 58 | G | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -71.6 | -152.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A36 D56 G60 G143 | A36-G58 CarbonylContact O-C 3.45Å; A36-G58 WeakPolarHBondContact O-CA 3.39Å; D56-G58 PolarHBondContact OD1-N 2.9Å; G58-G60 VanDerWaalsContact C-N 3.31Å; G58-G60 PolarHBondContact O-N 3.31Å; G58-G143 PolarHBondContact O-N 3.46Å |
| 59 | S | 96.3 | Very high | 95.5 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 44% | 0.441 | 23% | 0.233 | S | C | . | . | trans | -64.3 | -33.6 | 177.7 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | A36 T113 | A36-S59 PolarHBondContact O-N 3.19Å; S59-T113 WeakPolarHBondContact O-CA 3.42Å | ||
| 60 | G | 95.4 | Very high | 95.5 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | trans | 75.8 | -176.1 | -161.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G58 S111 R112 | G58-G60 VanDerWaalsContact C-N 3.31Å; G58-G60 PolarHBondContact O-N 3.31Å; G60-S111 VanDerWaalsContact CA-OG 3.31Å; G60-S111 WeakPolarHBondContact CA-OG 3.47Å; G60-R112 WeakPolarHBondContact CA-O 3.16Å | ||
| 61 | M | 96 | Very high | 95.5 | Very high | 43 Ų | 43 | 44.5 Ų | 44.5 | 21% | 0.212 | 24% | 0.236 | C | C | . | . | trans | -128.7 | 146.2 | 179.3 | -61.3 | -177.6 | 67.1 | 0 | 0 | 110.1 | D65 M66 V69 S111 T113 | M61-D65 HydrophobicContact CB-CB 3.97Å; M61-D65 HydrophobicContact CE-CB 3.74Å; M61-D65 WeakPolarHBondContact CE-O 3.16Å; M61-M66 HydrophobicContact CB-CE 4.5Å; M61-V69 HydrophobicContact CE-CB 3.85Å; M61-V69 HydrophobicContact CE-CG2 3.68Å; M61-V69 HydrophobicContact SD-CG2 4.23Å; M61-S111 PolarHBondContact N-OG 3.41Å; M61-T113 VanDerWaalsContact C-CG2 3.46Å; M61-T113 WeakPolarHBondContact O-CG2 3.3Å | ||
| 62 | T | 94.8 | Very high | 95.2 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 36% | 0.356 | 23% | 0.231 | S | C | . | . | trans | -73.9 | 175.9 | 174.6 | 67 | 0 | 0 | 0 | 0 | 111.9 | D65 M66 T113 | T62-D65 WeakPolarHBondContact CB-OD2 3.27Å; T62-D65 WeakPolarHBondContact CG2-OD2 3.49Å; T62-D65 PolarHBondContact N-OD2 3.11Å; T62-D65 PolarHBondContact OG1-N 3.22Å; T62-D65 VanDerWaalsContact OG1-N 3.08Å; T62-D65 PolarHBondContact OG1-OD2 3.46Å; T62-M66 WeakPolarHBondContact O-CB 3.29Å; T62-M66 PolarHBondContact O-N 3.2Å; T62-T113 HydrophobicContact CG2-CG2 4.21Å | ||
| 63 | A | 93.3 | Very high | 94.9 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D65 M66 E67 | A63-D65 PolarHBondContact O-N 3.31Å; A63-M66 CarbonylContact O-C 3.53Å; A63-M66 WeakPolarHBondContact O-CA 3.19Å; A63-M66 VanDerWaalsContact O-CB 3.28Å; A63-M66 WeakPolarHBondContact O-CB 3.49Å; A63-M66 PolarHBondContact O-N 2.9Å; A63-M66 VanDerWaalsContact O-N 3.08Å; A63-E67 PolarHBondContact O-N 3.38Å |
| 64 | E | 93.3 | Very high | 94.7 | Very high | 109 Ų | 109 | 53.8 Ų | 53.8 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 176.9 | -61.1 | 178.6 | -135.1 | 0 | 0 | 113.1 | M66 E67 R68 | E64-M66 PolarHBondContact O-N 3.19Å; E64-E67 PolarHBondContact O-N 3.32Å; E64-R68 WeakPolarHBondContact O-CG 3.39Å; E64-R68 PolarHBondContact O-N 2.76Å; E64-R68 VanDerWaalsContact O-N 3.1Å; E64-R68 IonicContact OE2-CZ 3.52Å; E64-R68 IonicContact OE2-NH1 3.76Å; E64-R68 PolarHBondContact OE2-NH1 2.83Å; E64-R68 IonicContact OE2-NH2 2.74Å; E64-R68 PolarHBondContact OE2-NH2 2.92Å |
| 65 | D | 94.7 | Very high | 94.5 | Very high | 56 Ų | 56 | 56.5 Ų | 56.5 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 174.1 | -64.6 | -49.8 | 0 | 0 | 0 | 111.1 | M61 T62 A63 R68 V69 | M61-D65 HydrophobicContact CB-CB 3.97Å; M61-D65 HydrophobicContact CE-CB 3.74Å; M61-D65 WeakPolarHBondContact CE-O 3.16Å; T62-D65 WeakPolarHBondContact CB-OD2 3.27Å; T62-D65 WeakPolarHBondContact CG2-OD2 3.49Å; T62-D65 PolarHBondContact N-OD2 3.11Å; T62-D65 PolarHBondContact OG1-N 3.22Å; T62-D65 VanDerWaalsContact OG1-N 3.08Å; T62-D65 PolarHBondContact OG1-OD2 3.46Å; A63-D65 PolarHBondContact O-N 3.31Å; D65-R68 CarbonylContact O-C 3.6Å; D65-R68 PolarHBondContact O-N 3.41Å; D65-V69 WeakPolarHBondContact O-CB 3.39Å; D65-V69 PolarHBondContact O-N 2.56Å |
| 66 | M | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 176.8 | -167.6 | 67.3 | 67.9 | 0 | 0 | 111.4 | M61 T62 A63 E64 R68 V69 I109 S111 K122 V132 | M61-M66 HydrophobicContact CB-CE 4.5Å; T62-M66 WeakPolarHBondContact O-CB 3.29Å; T62-M66 PolarHBondContact O-N 3.2Å; A63-M66 CarbonylContact O-C 3.53Å; A63-M66 WeakPolarHBondContact O-CA 3.19Å; A63-M66 VanDerWaalsContact O-CB 3.28Å; A63-M66 WeakPolarHBondContact O-CB 3.49Å; A63-M66 PolarHBondContact O-N 2.9Å; A63-M66 VanDerWaalsContact O-N 3.08Å; E64-M66 PolarHBondContact O-N 3.19Å; M66-R68 VanDerWaalsContact C-N 3.26Å; M66-R68 PolarHBondContact O-N 3.01Å; M66-V69 WeakPolarHBondContact O-CG1 3.31Å; M66-V69 PolarHBondContact O-N 3.21Å; M66-V69 HydrophobicContact SD-CG1 3.72Å; M66-I109 HydrophobicContact CE-CG2 4.03Å; M66-I109 HydrophobicContact SD-CB 4.12Å; M66-I109 HydrophobicContact SD-CG2 3.86Å; M66-S111 VanDerWaalsContact CE-CB 3.42Å; M66-K122 HydrophobicContact CG-CB 3.73Å; M66-K122 WeakPolarHBondContact O-CD 3.49Å; M66-K122 PolarHBondContact O-NZ 2.81Å; M66-K122 HydrophobicContact SD-CB 3.75Å; M66-V132 HydrophobicContact CB-CG1 4.05Å; M66-V132 HydrophobicContact CB-CG2 3.97Å; M66-V132 HydrophobicContact CG-CB 4.42Å; M66-V132 HydrophobicContact CG-CG1 3.78Å; M66-V132 HydrophobicContact CG-CG2 3.73Å |
| 67 | E | 94.3 | Very high | 93.9 | Very high | 122 Ų | 122 | 60.7 Ų | 60.7 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.1 | -41.3 | 171.4 | -71.8 | 176.3 | -170.5 | 0 | 0 | 111 | A63 E64 K122 V132 | A63-E67 PolarHBondContact O-N 3.38Å; E64-E67 PolarHBondContact O-N 3.32Å; E67-K122 PolarHBondContact O-NZ 3.19Å; E67-V132 HydrophobicContact CB-CG2 4.33Å; E67-V132 HydrophobicContact CG-CB 4.37Å; E67-V132 HydrophobicContact CG-CG2 3.67Å |
| 68 | R | 94.3 | Very high | 93.5 | Very high | 116 Ų | 116 | 59.8 Ų | 59.8 | 44% | 0.438 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -77 | -21 | 179 | -64.7 | 170 | -162.9 | 133.7 | 9.2 | 113.8 | E64 D65 M66 T71 | E64-R68 WeakPolarHBondContact O-CG 3.39Å; E64-R68 PolarHBondContact O-N 2.76Å; E64-R68 VanDerWaalsContact O-N 3.1Å; E64-R68 IonicContact OE2-CZ 3.52Å; E64-R68 IonicContact OE2-NH1 3.76Å; E64-R68 PolarHBondContact OE2-NH1 2.83Å; E64-R68 IonicContact OE2-NH2 2.74Å; E64-R68 PolarHBondContact OE2-NH2 2.92Å; D65-R68 CarbonylContact O-C 3.6Å; D65-R68 PolarHBondContact O-N 3.41Å; M66-R68 VanDerWaalsContact C-N 3.26Å; M66-R68 PolarHBondContact O-N 3.01Å; R68-T71 WeakPolarHBondContact O-CB 3.46Å; R68-T71 PolarHBondContact O-N 2.81Å; R68-T71 PolarHBondContact O-OG1 3.26Å |
| 69 | V | 94.6 | Very high | 93.2 | Very high | 12 Ų | 12 | 65.4 Ų | 65.4 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 148.9 | -177 | 92.2 | 0 | 0 | 0 | 0 | 112.3 | M61 D65 M66 T71 L97 I109 K122 F124 | M61-V69 HydrophobicContact CE-CB 3.85Å; M61-V69 HydrophobicContact CE-CG2 3.68Å; M61-V69 HydrophobicContact SD-CG2 4.23Å; D65-V69 WeakPolarHBondContact O-CB 3.39Å; D65-V69 PolarHBondContact O-N 2.56Å; M66-V69 WeakPolarHBondContact O-CG1 3.31Å; M66-V69 PolarHBondContact O-N 3.21Å; M66-V69 HydrophobicContact SD-CG1 3.72Å; V69-T71 PolarHBondContact O-N 2.85Å; V69-L97 HydrophobicContact CG2-CD1 3.59Å; V69-I109 HydrophobicContact CG1-CD1 3.89Å; V69-I109 HydrophobicContact CG2-CD1 4.15Å; V69-K122 HydrophobicContact CG1-CD 4.2Å; V69-K122 PolarHBondContact O-NZ 2.75Å; V69-F124 HydrophobicContact CG1-CE2 4.36Å; V69-F124 HydrophobicContact CG1-CZ 4.06Å; V69-F124 WeakPolarHBondContact O-CZ 3.46Å |
| 70 | G | 91.1 | Very high | 92.9 | Very high | 14 Ų | 14 | 64.6 Ų | 64.6 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -13.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A98 | G70-A98 WeakPolarHBondContact O-CA 3.33Å; G70-A98 WeakPolarHBondContact O-CB 3.47Å |
| 71 | T | 91.5 | Very high | 92.5 | Very high | 65 Ų | 65 | 70.1 Ų | 70.1 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -76 | 144.2 | 173.3 | -50.3 | 0 | 0 | 0 | 0 | 110.7 | R68 V69 H74 | R68-T71 WeakPolarHBondContact O-CB 3.46Å; R68-T71 PolarHBondContact O-N 2.81Å; R68-T71 PolarHBondContact O-OG1 3.26Å; V69-T71 PolarHBondContact O-N 2.85Å; T71-H74 WeakPolarHBondContact CG2-CE1 3.36Å; T71-H74 WeakPolarHBondContact CG2-ND1 3.44Å |
| 72 | R | 90.1 | Very high | 92.1 | Very high | 63 Ų | 63 | 74.5 Ų | 74.5 | 24% | 0.238 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 146.5 | 179.2 | -69.9 | -173.5 | -179.8 | -79.8 | -11.9 | 111.5 | H74 E95 A98 S99 | R72-H74 PolarHBondContact O-N 3.36Å; R72-H74 VanDerWaalsContact O-N 3.13Å; R72-H74 PolarHBondContact O-ND1 2.9Å; R72-E95 IonicContact NH1-OE1 3.91Å; R72-A98 HydrophobicContact CB-CB 4.38Å; R72-A98 HydrophobicContact CG-CB 3.58Å; R72-S99 PolarHBondContact NH1-OG 3.5Å |
| 73 | Y | 92.1 | Very high | 91.7 | Very high | 151 Ų | 151 | 74.6 Ų | 74.6 | 59% | 0.592 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 13.3 | 176.8 | -43.4 | -59.8 | 0 | 0 | 0 | 114.8 | G94 E95 | Y73-G94 PolarHBondContact N-O 2.91Å; Y73-E95 HydrophobicContact CD1-CG 3.96Å; Y73-E95 HydrophobicContact CE1-CG 3.7Å |
| 74 | H | 93.1 | Very high | 91.3 | Very high | 97 Ų | 97 | 76.7 Ų | 76.7 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | trans | -91.9 | 127.1 | 173.2 | -71.9 | 55.1 | 0 | 0 | 0 | 109.5 | T71 R72 G94 | T71-H74 WeakPolarHBondContact CG2-CE1 3.36Å; T71-H74 WeakPolarHBondContact CG2-ND1 3.44Å; R72-H74 PolarHBondContact O-N 3.36Å; R72-H74 VanDerWaalsContact O-N 3.13Å; R72-H74 PolarHBondContact O-ND1 2.9Å; H74-G94 WeakPolarHBondContact O-CA 3.45Å | ||
| 75 | T | 94 | Very high | 90.8 | Very high | 60 Ų | 60 | 77.6 Ų | 77.6 | 37% | 0.368 | 40% | 0.403 | S | S | . | . | trans | -154.7 | 157.5 | -179.8 | -159 | 0 | 0 | 0 | 0 | 111.4 | C78 F92 | T75-C78 HydrophobicContact CG2-CB 4.44Å; T75-C78 WeakPolarHBondContact CG2-O 3.22Å; T75-F92 WeakPolarHBondContact CG2-O 3.24Å | ||
| 76 | S | 92.4 | Very high | 90.4 | Very high | 111 Ų | 111 | 78.5 Ų | 78.5 | 78% | 0.776 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -110.9 | 15.6 | 173.4 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 77 | K | 91.3 | Very high | 90 | Very high | 46 Ų | 46 | 79 Ų | 79 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -123.2 | -8.2 | -163.7 | -58.1 | 178 | 179.9 | -176.3 | 0 | 114.7 | N32 D35 C89 G91 | N32-K77 PolarHBondContact OD1-NZ 2.96Å; D35-K77 HydrophobicContact CB-CD 4.35Å; D35-K77 WeakPolarHBondContact OD2-CE 3.41Å; D35-K77 IonicContact OD2-NZ 3.91Å; D35-K77 PolarHBondContact OD2-NZ 2.91Å; K77-C89 HydrophobicContact CB-CB 4Å; K77-C89 HydrophobicContact CD-CB 4.12Å; K77-C89 HydrophobicContact CG-CB 4.3Å; K77-G91 VanDerWaalsContact CB-O 3.23Å; K77-G91 WeakPolarHBondContact CB-O 3.3Å; K77-G91 WeakPolarHBondContact CD-O 3.33Å |
| 78 | C | 89.1 | Confident | 89.6 | Confident | 25 Ų | 25 | 79.4 Ų | 79.4 | 17% | 0.169 | 41% | 0.41 | C | S | . | . | trans | -162.6 | 127.5 | 179.2 | -175 | 0 | 0 | 0 | 0 | 107 | T75 D83 L87 F92 | T75-C78 HydrophobicContact CG2-CB 4.44Å; T75-C78 WeakPolarHBondContact CG2-O 3.22Å; C78-D83 HydrophobicContact CB-CB 4.33Å; C78-L87 HydrophobicContact CB-CD2 4.44Å; C78-F92 HydrophobicContact CB-CB 3.98Å | ||
| 79 | S | 90 | Very high | 89.4 | Confident | 117 Ų | 117 | 75.8 Ų | 75.8 | 82% | 0.818 | 40% | 0.402 | S | S | * | . | trans | -132.9 | -31 | -173.7 | 64.4 | 0 | 0 | 0 | 0 | 112.9 | D83 | S79-D83 WeakPolarHBondContact CA-OD2 3.38Å; S79-D83 PolarHBondContact N-OD2 3.43Å; S79-D83 PolarHBondContact OG-OD2 3Å | ||
| 80 | S | 90.7 | Very high | 89.3 | Confident | 46 Ų | 46 | 76.2 Ų | 76.2 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -116.7 | -175.4 | 177.7 | 83.1 | 0 | 0 | 0 | 0 | 112.8 | E82 D83 | S80-E82 WeakPolarHBondContact CB-OE2 3.16Å; S80-E82 PolarHBondContact OG-N 3.29Å; S80-E82 PolarHBondContact OG-OE2 3.49Å; S80-D83 PolarHBondContact N-OD2 3.25Å; S80-D83 PolarHBondContact OG-N 2.9Å |
| 81 | I | 87.4 | Confident | 89.1 | Confident | 127 Ų | 127 | 76 Ų | 76 | 65% | 0.651 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -80.6 | -34 | 172.9 | -62.4 | 175.6 | 0 | 0 | 0 | 110.3 | D83 L84 E85 | I81-D83 VanDerWaalsContact C-N 3.3Å; I81-D83 PolarHBondContact O-N 3.44Å; I81-L84 WeakPolarHBondContact O-CA 3.49Å; I81-L84 VanDerWaalsContact O-CB 3.27Å; I81-L84 WeakPolarHBondContact O-CB 3.43Å; I81-L84 PolarHBondContact O-N 3.03Å; I81-E85 PolarHBondContact O-N 3.32Å; I81-E85 VanDerWaalsContact O-N 3.16Å |
| 82 | E | 87 | Confident | 88.9 | Confident | 135 Ų | 135 | 73.6 Ų | 73.6 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.4 | -35 | 174.6 | -52.7 | 83.2 | 177.5 | 0 | 0 | 111.9 | S80 L84 E85 N86 | S80-E82 WeakPolarHBondContact CB-OE2 3.16Å; S80-E82 PolarHBondContact OG-N 3.29Å; S80-E82 PolarHBondContact OG-OE2 3.49Å; E82-L84 VanDerWaalsContact C-N 3.26Å; E82-L84 PolarHBondContact O-N 3Å; E82-E85 PolarHBondContact O-N 2.94Å; E82-N86 WeakPolarHBondContact O-CB 3.44Å; E82-N86 PolarHBondContact O-N 3.09Å |
| 83 | D | 87.1 | Confident | 88.9 | Confident | 60 Ų | 60 | 73.7 Ų | 73.7 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.8 | -38.1 | 169.9 | -76.5 | -32.6 | 0 | 0 | 0 | 111.8 | C78 S79 S80 I81 E85 N86 L87 | C78-D83 HydrophobicContact CB-CB 4.33Å; S79-D83 WeakPolarHBondContact CA-OD2 3.38Å; S79-D83 PolarHBondContact N-OD2 3.43Å; S79-D83 PolarHBondContact OG-OD2 3Å; S80-D83 PolarHBondContact N-OD2 3.25Å; S80-D83 PolarHBondContact OG-N 2.9Å; I81-D83 VanDerWaalsContact C-N 3.3Å; I81-D83 PolarHBondContact O-N 3.44Å; D83-E85 VanDerWaalsContact C-N 3.33Å; D83-N86 CarbonylContact O-C 3.58Å; D83-N86 VanDerWaalsContact O-C 3.3Å; D83-N86 PolarHBondContact O-N 3.05Å; D83-N86 VanDerWaalsContact O-N 3.13Å; D83-L87 WeakPolarHBondContact O-CD2 3.31Å; D83-L87 PolarHBondContact O-N 3.31Å |
| 84 | L | 84.9 | Confident | 88.9 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 41% | 0.408 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.2 | -26.6 | -179.4 | -161.3 | 77.5 | 0 | 0 | 0 | 112.3 | I81 E82 N86 L87 F92 | I81-L84 WeakPolarHBondContact O-CA 3.49Å; I81-L84 VanDerWaalsContact O-CB 3.27Å; I81-L84 WeakPolarHBondContact O-CB 3.43Å; I81-L84 PolarHBondContact O-N 3.03Å; E82-L84 VanDerWaalsContact C-N 3.26Å; E82-L84 PolarHBondContact O-N 3Å; L84-N86 VanDerWaalsContact C-N 3.32Å; L84-L87 HydrophobicContact CD1-CD1 3.99Å; L84-L87 HydrophobicContact CD1-CD2 4.38Å; L84-L87 HydrophobicContact CG-CD1 4.36Å; L84-L87 WeakPolarHBondContact O-CD1 3.05Å; L84-L87 WeakPolarHBondContact O-CG 3.42Å; L84-F92 HydrophobicContact CD1-CD2 4Å; L84-F92 HydrophobicContact CD1-CE2 4.21Å |
| 85 | E | 83.3 | Confident | 88.8 | Confident | 129 Ų | 129 | 63.4 Ų | 63.4 | 60% | 0.603 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -81.7 | -10.5 | 170.2 | -61.1 | -166.8 | 169.4 | 0 | 0 | 113 | I81 E82 D83 Y314 S315 | I81-E85 PolarHBondContact O-N 3.32Å; I81-E85 VanDerWaalsContact O-N 3.16Å; E82-E85 PolarHBondContact O-N 2.94Å; D83-E85 VanDerWaalsContact C-N 3.33Å; E85-Y314 CarbonylContact O-C 3.53Å; E85-S315 PolarHBondContact O-N 2.78Å |
| 86 | N | 85.4 | Confident | 88.8 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -129 | 40.2 | -174.3 | -154.4 | -10.9 | 0 | 0 | 0 | 113.1 | E82 D83 L84 K88 Y314 | E82-N86 WeakPolarHBondContact O-CB 3.44Å; E82-N86 PolarHBondContact O-N 3.09Å; D83-N86 CarbonylContact O-C 3.58Å; D83-N86 VanDerWaalsContact O-C 3.3Å; D83-N86 PolarHBondContact O-N 3.05Å; D83-N86 VanDerWaalsContact O-N 3.13Å; L84-N86 VanDerWaalsContact C-N 3.32Å; N86-K88 PolarHBondContact O-N 3.15Å; N86-K88 WeakPolarHBondContact OD1-CE 3.23Å; N86-Y314 WeakPolarHBondContact OD1-CD2 3.42Å |
| 87 | L | 85.8 | Confident | 88.9 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | trans | -67.4 | 82.9 | -170.8 | -72.5 | 171 | 0 | 0 | 0 | 114 | C78 D83 L84 F92 R257 Y314 I319 | C78-L87 HydrophobicContact CB-CD2 4.44Å; D83-L87 WeakPolarHBondContact O-CD2 3.31Å; D83-L87 PolarHBondContact O-N 3.31Å; L84-L87 HydrophobicContact CD1-CD1 3.99Å; L84-L87 HydrophobicContact CD1-CD2 4.38Å; L84-L87 HydrophobicContact CG-CD1 4.36Å; L84-L87 WeakPolarHBondContact O-CD1 3.05Å; L84-L87 WeakPolarHBondContact O-CG 3.42Å; L87-F92 HydrophobicContact CD1-CD1 4.18Å; L87-F92 HydrophobicContact CD1-CD2 4.02Å; L87-F92 HydrophobicContact CD1-CE1 4.13Å; L87-F92 HydrophobicContact CD1-CE2 3.95Å; L87-F92 HydrophobicContact CD1-CG 4.14Å; L87-F92 HydrophobicContact CD1-CZ 4.01Å; L87-F92 HydrophobicContact CD2-CB 3.61Å; L87-F92 HydrophobicContact CD2-CD1 4.14Å; L87-F92 HydrophobicContact CD2-CD2 4.1Å; L87-F92 HydrophobicContact CD2-CG 3.71Å; L87-R257 PolarHBondContact O-NH2 3.34Å; L87-Y314 WeakPolarHBondContact O-CD1 3.32Å; L87-Y314 WeakPolarHBondContact O-CE1 3.32Å; L87-I319 HydrophobicContact CB-CD1 3.93Å; L87-I319 HydrophobicContact CD1-CD1 3.76Å; L87-I319 HydrophobicContact CD1-CG1 3.85Å; L87-I319 HydrophobicContact CG-CD1 4.5Å | ||
| 88 | K | 86.9 | Confident | 89 | Confident | 130 Ų | 130 | 55.8 Ų | 55.8 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | trans | -73.2 | -28.8 | 173.2 | -69.1 | 157.2 | -173.2 | 158.2 | 0 | 113.6 | N86 Y314 | N86-K88 PolarHBondContact O-N 3.15Å; N86-K88 WeakPolarHBondContact OD1-CE 3.23Å; K88-Y314 HydrophobicContact CG-CD2 4.21Å; K88-Y314 HydrophobicContact CG-CE1 4.43Å; K88-Y314 HydrophobicContact CG-CE2 3.63Å | ||
| 89 | C | 90.1 | Very high | 89.2 | Confident | 40 Ų | 40 | 54.6 Ų | 54.6 | 27% | 0.27 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -91.6 | 142.8 | -175.4 | -69.9 | 0 | 0 | 0 | 0 | 113.7 | D35 K77 G91 R257 | D35-C89 VanDerWaalsContact OD1-CA 3.28Å; D35-C89 WeakPolarHBondContact OD1-CA 3.46Å; D35-C89 WeakPolarHBondContact OD1-CB 3.46Å; K77-C89 HydrophobicContact CB-CB 4Å; K77-C89 HydrophobicContact CD-CB 4.12Å; K77-C89 HydrophobicContact CG-CB 4.3Å; C89-G91 PolarHBondContact O-N 3.28Å; C89-R257 PolarHBondContact O-NH2 2.99Å |
| 90 | Y | 91.3 | Very high | 89.4 | Confident | 22 Ų | 22 | 49 Ų | 49 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -67.2 | -34.7 | -178.6 | -69.5 | -91.3 | 0 | 0 | 0 | 112.9 | L31 I34 D35 H182 D256 R257 K325 | L31-Y90 HydrophobicContact CB-CG 4.28Å; L31-Y90 HydrophobicContact CD1-CD1 4.08Å; L31-Y90 HydrophobicContact CD1-CG 4.5Å; L31-Y90 HydrophobicContact CD2-CD1 3.56Å; L31-Y90 HydrophobicContact CD2-CD2 4.49Å; L31-Y90 HydrophobicContact CD2-CE1 3.89Å; L31-Y90 HydrophobicContact CD2-CG 3.89Å; L31-Y90 HydrophobicContact CG-CD1 4.28Å; L31-Y90 HydrophobicContact CG-CG 4.44Å; I34-Y90 HydrophobicContact CG2-CD2 4.22Å; I34-Y90 HydrophobicContact CG2-CE2 3.92Å; D35-Y90 WeakPolarHBondContact OD1-CD2 3.27Å; D35-Y90 PolarHBondContact OD1-N 3.28Å; D35-Y90 PolarHBondContact OD2-N 3.19Å; Y90-H182 AromaticContact CZ-NE2 3.72Å; Y90-H182 PolarHBondContact OH-NE2 3.25Å; Y90-D256 VanDerWaalsContact OH-CB 3.25Å; Y90-D256 WeakPolarHBondContact OH-CB 3.44Å; Y90-D256 PolarHBondContact OH-O 2.99Å; Y90-R257 HydrophobicContact CD1-CG 4.33Å; Y90-R257 HydrophobicContact CE1-CG 4.01Å; Y90-K325 VanDerWaalsContact O-CE 3.31Å; Y90-K325 WeakPolarHBondContact O-CE 3.19Å; Y90-K325 PolarHBondContact O-NZ 2.66Å |
| 91 | G | 87.2 | Confident | 89.6 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | trans | -99 | 140.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D35 K77 C89 | D35-G91 PolarHBondContact OD2-N 3.43Å; K77-G91 VanDerWaalsContact CB-O 3.23Å; K77-G91 WeakPolarHBondContact CB-O 3.3Å; K77-G91 WeakPolarHBondContact CD-O 3.33Å; C89-G91 PolarHBondContact O-N 3.28Å | ||
| 92 | F | 88.9 | Confident | 89.8 | Confident | 16 Ų | 16 | 42.4 Ų | 42.4 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | trans | -150.6 | -26.7 | 173.2 | 58.6 | -86 | 0 | 0 | 0 | 113.7 | T75 C78 L84 L87 G94 I319 K325 | T75-F92 WeakPolarHBondContact CG2-O 3.24Å; C78-F92 HydrophobicContact CB-CB 3.98Å; L84-F92 HydrophobicContact CD1-CD2 4Å; L84-F92 HydrophobicContact CD1-CE2 4.21Å; L87-F92 HydrophobicContact CD1-CD1 4.18Å; L87-F92 HydrophobicContact CD1-CD2 4.02Å; L87-F92 HydrophobicContact CD1-CE1 4.13Å; L87-F92 HydrophobicContact CD1-CE2 3.95Å; L87-F92 HydrophobicContact CD1-CG 4.14Å; L87-F92 HydrophobicContact CD1-CZ 4.01Å; L87-F92 HydrophobicContact CD2-CB 3.61Å; L87-F92 HydrophobicContact CD2-CD1 4.14Å; L87-F92 HydrophobicContact CD2-CD2 4.1Å; L87-F92 HydrophobicContact CD2-CG 3.71Å; F92-G94 VanDerWaalsContact C-N 3.34Å; F92-G94 PolarHBondContact O-N 3.18Å; F92-I319 HydrophobicContact CD1-CD1 4.38Å; F92-I319 HydrophobicContact CE1-CD1 3.63Å; F92-I319 HydrophobicContact CE1-CG1 4.01Å; F92-I319 HydrophobicContact CZ-CD1 4.12Å; F92-I319 HydrophobicContact CZ-CG1 3.97Å; F92-K325 HydrophobicContact CE1-CG 4.26Å | ||
| 93 | R | 90.1 | Very high | 90 | Very high | 65 Ų | 65 | 36 Ų | 36 | 25% | 0.245 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -73.3 | -14.2 | -175 | -53.7 | -177 | -167.2 | -123.6 | 5.4 | 116 | E95 C320 E322 | R93-E95 VanDerWaalsContact C-N 3.29Å; R93-E95 HydrophobicContact CB-CB 4.44Å; R93-E95 HydrophobicContact CB-CG 4.33Å; R93-E95 PolarHBondContact O-N 2.69Å; R93-C320 PolarHBondContact NH1-O 2.94Å; R93-C320 VanDerWaalsContact NH1-O 3.16Å; R93-C320 VanDerWaalsContact NH2-C 3.27Å; R93-C320 PolarHBondContact NH2-O 3.02Å; R93-E322 VanDerWaalsContact NH2-C 3.33Å; R93-E322 PolarHBondContact NH2-O 3.48Å |
| 94 | G | 90.4 | Very high | 90.3 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 62.9 | 26.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y73 H74 F92 | Y73-G94 PolarHBondContact N-O 2.91Å; H74-G94 WeakPolarHBondContact O-CA 3.45Å; F92-G94 VanDerWaalsContact C-N 3.34Å; F92-G94 PolarHBondContact O-N 3.18Å |
| 95 | E | 91.8 | Very high | 90.8 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | trans | -114.6 | -18.7 | -171.6 | -73 | -162.2 | 95 | 0 | 0 | 116.6 | R14 R72 Y73 R93 S99 | R14-E95 WeakPolarHBondContact CG-OE1 3.27Å; R14-E95 IonicContact CZ-OE1 2.89Å; R14-E95 IonicContact CZ-OE2 3.53Å; R14-E95 IonicContact NE-OE1 2.7Å; R14-E95 PolarHBondContact NE-OE1 3.19Å; R14-E95 IonicContact NE-OE2 2.58Å; R14-E95 PolarHBondContact NE-OE2 3.27Å; R14-E95 IonicContact NH2-OE1 2.76Å; R14-E95 PolarHBondContact NH2-OE1 3.05Å; R14-E95 IonicContact NH2-OE2 3.48Å; R14-E95 PolarHBondContact NH2-OE2 3.12Å; R72-E95 IonicContact NH1-OE1 3.91Å; Y73-E95 HydrophobicContact CD1-CG 3.96Å; Y73-E95 HydrophobicContact CE1-CG 3.7Å; R93-E95 VanDerWaalsContact C-N 3.29Å; R93-E95 HydrophobicContact CB-CB 4.44Å; R93-E95 HydrophobicContact CB-CG 4.33Å; R93-E95 PolarHBondContact O-N 2.69Å; E95-S99 VanDerWaalsContact O-CB 3.25Å; E95-S99 WeakPolarHBondContact O-CB 3.25Å; E95-S99 PolarHBondContact O-N 3.42Å; E95-S99 PolarHBondContact O-OG 3.36Å | ||
| 96 | A | 93.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 28 Ų | 28 | 13% | 0.132 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.9 | -60.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I19 E28 A98 S99 I100 | I19-A96 HydrophobicContact CD1-CB 4.44Å; E28-A96 HydrophobicContact CB-CB 4.01Å; E28-A96 HydrophobicContact CG-CB 4.12Å; A96-A98 VanDerWaalsContact C-N 3.34Å; A96-A98 PolarHBondContact O-N 3.32Å; A96-S99 PolarHBondContact O-N 3.35Å; A96-S99 VanDerWaalsContact O-N 3.07Å; A96-I100 WeakPolarHBondContact O-CG1 3.4Å; A96-I100 PolarHBondContact O-N 3Å |
| 97 | L | 94.7 | Very high | 92 | Very high | 35 Ų | 35 | 24.7 Ų | 24.7 | 18% | 0.183 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | 179.2 | -67.8 | 173.6 | 0 | 0 | 0 | 112 | L29 V69 S99 I100 V101 I109 | L29-L97 HydrophobicContact CD2-CD2 3.67Å; V69-L97 HydrophobicContact CG2-CD1 3.59Å; L97-S99 PolarHBondContact O-N 3.45Å; L97-I100 PolarHBondContact O-N 2.89Å; L97-V101 WeakPolarHBondContact O-CB 3.33Å; L97-V101 WeakPolarHBondContact O-CG2 3.42Å; L97-V101 PolarHBondContact O-N 2.9Å; L97-I109 HydrophobicContact CD1-CD1 4.23Å; L97-I109 HydrophobicContact CD2-CD1 4.27Å |
| 98 | A | 93 | Very high | 92.6 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 6% | 0.058 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -30.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G70 R72 A96 S102 | G70-A98 WeakPolarHBondContact O-CA 3.33Å; G70-A98 WeakPolarHBondContact O-CB 3.47Å; R72-A98 HydrophobicContact CB-CB 4.38Å; R72-A98 HydrophobicContact CG-CB 3.58Å; A96-A98 VanDerWaalsContact C-N 3.34Å; A96-A98 PolarHBondContact O-N 3.32Å; A98-S102 PolarHBondContact O-N 3.31Å |
| 99 | S | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -80.5 | -37.3 | 176 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | R72 E95 A96 L97 S102 L103 | R72-S99 PolarHBondContact NH1-OG 3.5Å; E95-S99 VanDerWaalsContact O-CB 3.25Å; E95-S99 WeakPolarHBondContact O-CB 3.25Å; E95-S99 PolarHBondContact O-N 3.42Å; E95-S99 PolarHBondContact O-OG 3.36Å; A96-S99 PolarHBondContact O-N 3.35Å; A96-S99 VanDerWaalsContact O-N 3.07Å; L97-S99 PolarHBondContact O-N 3.45Å; S99-S102 PolarHBondContact O-N 3.49Å; S99-S102 PolarHBondContact O-OG 3.17Å; S99-L103 WeakPolarHBondContact O-CG 3.39Å; S99-L103 PolarHBondContact O-N 2.81Å |
| 100 | I | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.3 | -48.8 | 171.8 | -68.8 | 169 | 0 | 0 | 0 | 110.9 | I19 L29 A96 L97 S102 L103 A104 V107 I148 F151 | I19-I100 HydrophobicContact CD1-CG1 4.39Å; I19-I100 HydrophobicContact CG1-CG1 4.18Å; L29-I100 HydrophobicContact CD2-CD1 4.29Å; L29-I100 HydrophobicContact CG-CD1 4.29Å; A96-I100 WeakPolarHBondContact O-CG1 3.4Å; A96-I100 PolarHBondContact O-N 3Å; L97-I100 PolarHBondContact O-N 2.89Å; I100-S102 PolarHBondContact O-N 2.95Å; I100-L103 PolarHBondContact O-N 2.86Å; I100-A104 PolarHBondContact O-N 2.73Å; I100-V107 HydrophobicContact CG2-CG2 4.18Å; I100-I148 HydrophobicContact CD1-CD1 4.47Å; I100-I148 HydrophobicContact CG2-CD1 3.43Å; I100-I148 VanDerWaalsContact CG2-CD1 3.43Å; I100-I148 HydrophobicContact CG2-CG1 3.77Å; I100-I148 HydrophobicContact CG2-CG2 4.4Å; I100-F151 HydrophobicContact CG2-CE2 4.4Å |
| 101 | V | 94.2 | Very high | 93.7 | Very high | 8 Ų | 8 | 18.2 Ų | 18.2 | 5% | 0.048 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -54 | -39.5 | 175.3 | 162.6 | 0 | 0 | 0 | 0 | 111.6 | L97 L103 V107 F124 G127 | L97-V101 WeakPolarHBondContact O-CB 3.33Å; L97-V101 WeakPolarHBondContact O-CG2 3.42Å; L97-V101 PolarHBondContact O-N 2.9Å; V101-L103 VanDerWaalsContact C-N 3.25Å; V101-L103 PolarHBondContact O-N 3.08Å; V101-V107 HydrophobicContact CG2-CB 4.15Å; V101-V107 HydrophobicContact CG2-CG1 4.4Å; V101-V107 HydrophobicContact CG2-CG2 4.04Å; V101-F124 HydrophobicContact CB-CD1 4.41Å; V101-F124 HydrophobicContact CB-CG 4.46Å; V101-F124 HydrophobicContact CG1-CB 3.86Å; V101-F124 HydrophobicContact CG1-CD1 3.65Å; V101-F124 HydrophobicContact CG1-CE1 4.47Å; V101-F124 HydrophobicContact CG1-CG 3.93Å; V101-F124 HydrophobicContact CG2-CB 4.02Å; V101-F124 HydrophobicContact CG2-CD1 3.82Å; V101-F124 HydrophobicContact CG2-CD2 3.88Å; V101-F124 HydrophobicContact CG2-CE1 4.23Å; V101-F124 HydrophobicContact CG2-CE2 4.3Å; V101-F124 HydrophobicContact CG2-CG 3.63Å; V101-F124 HydrophobicContact CG2-CZ 4.46Å; V101-G127 WeakPolarHBondContact O-CA 3.46Å |
| 102 | S | 91.9 | Very high | 94.2 | Very high | 25 Ų | 25 | 20.2 Ų | 20.2 | 18% | 0.175 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -3.4 | 177.2 | 71.6 | 0 | 0 | 0 | 0 | 115.9 | S15 A98 S99 I100 N154 | S15-S102 WeakPolarHBondContact CB-OG 3.45Å; A98-S102 PolarHBondContact O-N 3.31Å; S99-S102 PolarHBondContact O-N 3.49Å; S99-S102 PolarHBondContact O-OG 3.17Å; I100-S102 PolarHBondContact O-N 2.95Å; S102-N154 PolarHBondContact O-ND2 2.86Å |
| 103 | L | 91.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -16.2 | -174.9 | -71.9 | 171.4 | 0 | 0 | 0 | 114 | S15 I19 S99 I100 V101 F151 F152 H153 M155 | S15-L103 WeakPolarHBondContact OG-CD2 3.33Å; I19-L103 HydrophobicContact CB-CD1 4.28Å; S99-L103 WeakPolarHBondContact O-CG 3.39Å; S99-L103 PolarHBondContact O-N 2.81Å; I100-L103 PolarHBondContact O-N 2.86Å; V101-L103 VanDerWaalsContact C-N 3.25Å; V101-L103 PolarHBondContact O-N 3.08Å; L103-F151 HydrophobicContact CB-CD2 4.19Å; L103-F151 HydrophobicContact CB-CE2 3.75Å; L103-F151 HydrophobicContact CB-CZ 4.34Å; L103-F151 HydrophobicContact CD1-CE2 4.14Å; L103-F151 HydrophobicContact CD1-CZ 3.98Å; L103-F152 HydrophobicContact CD1-CD1 4.37Å; L103-F152 HydrophobicContact CD1-CE1 4.09Å; L103-F152 HydrophobicContact CD2-CD1 4.22Å; L103-F152 WeakPolarHBondContact O-CA 3.44Å; L103-F152 PolarHBondContact O-N 3.05Å; L103-H153 PolarHBondContact O-N 3.23Å; L103-H153 PolarHBondContact O-ND1 2.99Å; L103-M155 HydrophobicContact CD2-CE 4.15Å; L103-M155 HydrophobicContact CD2-CG 3.76Å |
| 104 | A | 93.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | trans | -106.7 | 152.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I100 V107 I148 F151 H153 | I100-A104 PolarHBondContact O-N 2.73Å; A104-V107 HydrophobicContact CB-CG2 3.79Å; A104-I148 HydrophobicContact CB-CG2 3.64Å; A104-F151 HydrophobicContact CB-CD2 4.34Å; A104-H153 VanDerWaalsContact C-ND1 3.26Å; A104-H153 PolarHBondContact O-CE1 3.11Å | ||
| 105 | T | 94.9 | Very high | 94.7 | Very high | 42 Ų | 42 | 33.5 Ų | 33.5 | 26% | 0.258 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -73 | -35.9 | 172.4 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | K125 D126 C149 N150 H153 | T105-K125 WeakPolarHBondContact O-CA 2.99Å; T105-D126 PolarHBondContact O-N 3.48Å; T105-C149 PolarHBondContact N-O 3.2Å; T105-N150 PolarHBondContact OG1-ND2 2.87Å; T105-H153 PolarHBondContact N-ND1 3.15Å; T105-H153 WeakPolarHBondContact OG1-CB 3.4Å; T105-H153 PolarHBondContact OG1-CD2 3.45Å |
| 106 | L | 96.4 | Very high | 94.6 | Very high | 58 Ų | 58 | 34 Ų | 34 | 30% | 0.304 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 131.4 | 177.3 | 180 | 68.4 | 0 | 0 | 0 | 109.8 | L123 F124 K125 C149 | L106-L123 HydrophobicContact CD1-CD2 4.31Å; L106-F124 WeakPolarHBondContact CA-O 3.48Å; L106-K125 HydrophobicContact CD1-CG 3.9Å; L106-C149 HydrophobicContact CB-CB 4.25Å; L106-C149 PolarHBondContact O-N 2.9Å |
| 107 | V | 97.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.3 | 161.7 | -172.9 | 0 | 0 | 0 | 0 | 108.5 | I100 V101 A104 I109 L123 F124 V146 I147 I148 | I100-V107 HydrophobicContact CG2-CG2 4.18Å; V101-V107 HydrophobicContact CG2-CB 4.15Å; V101-V107 HydrophobicContact CG2-CG1 4.4Å; V101-V107 HydrophobicContact CG2-CG2 4.04Å; A104-V107 HydrophobicContact CB-CG2 3.79Å; V107-I109 HydrophobicContact CG1-CG1 4.12Å; V107-L123 CarbonylContact O-C 3.56Å; V107-F124 HydrophobicContact CB-CB 4.24Å; V107-F124 HydrophobicContact CB-CD2 4.21Å; V107-F124 PolarHBondContact N-O 3.08Å; V107-F124 PolarHBondContact O-N 3.42Å; V107-V146 HydrophobicContact CG1-CG1 4.15Å; V107-I147 CarbonylContact C-O 3.52Å; V107-I147 VanDerWaalsContact CA-O 3.28Å; V107-I147 WeakPolarHBondContact CA-O 3.3Å; V107-I148 HydrophobicContact CG1-CG1 4.34Å; V107-I148 HydrophobicContact CG2-CG1 4.49Å |
| 108 | E | 97.6 | Very high | 94.4 | Very high | 57 Ų | 57 | 41.5 Ų | 41.5 | 27% | 0.266 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 130.1 | 169.4 | -179.4 | -162.9 | 125.9 | 0 | 0 | 108.2 | S110 V121 L123 V146 I147 | E108-S110 PolarHBondContact OE1-OG 2.88Å; E108-S110 VanDerWaalsContact OE1-OG 3.11Å; E108-V121 HydrophobicContact CG-CG1 3.85Å; E108-L123 HydrophobicContact CB-CD2 3.77Å; E108-L123 HydrophobicContact CG-CD2 3.75Å; E108-V146 CarbonylContact O-C 3.56Å; E108-V146 WeakPolarHBondContact O-CA 3.2Å; E108-I147 HydrophobicContact CB-CB 4.21Å; E108-I147 PolarHBondContact N-O 3.37Å; E108-I147 PolarHBondContact O-N 3.49Å |
| 109 | I | 97.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 112.7 | 170.6 | -56 | -176.4 | 0 | 0 | 0 | 107.1 | M66 V69 L97 V107 V121 K122 F124 T144 T145 V146 | M66-I109 HydrophobicContact CE-CG2 4.03Å; M66-I109 HydrophobicContact SD-CB 4.12Å; M66-I109 HydrophobicContact SD-CG2 3.86Å; V69-I109 HydrophobicContact CG1-CD1 3.89Å; V69-I109 HydrophobicContact CG2-CD1 4.15Å; L97-I109 HydrophobicContact CD1-CD1 4.23Å; L97-I109 HydrophobicContact CD2-CD1 4.27Å; V107-I109 HydrophobicContact CG1-CG1 4.12Å; I109-V121 CarbonylContact O-C 3.6Å; I109-V121 WeakPolarHBondContact O-CA 3.43Å; I109-K122 PolarHBondContact N-O 3.38Å; I109-K122 PolarHBondContact O-N 2.88Å; I109-F124 HydrophobicContact CD1-CE2 3.98Å; I109-F124 HydrophobicContact CG1-CE2 4.27Å; I109-T144 HydrophobicContact CG2-CG2 4.14Å; I109-T145 WeakPolarHBondContact CA-O 3.27Å; I109-V146 HydrophobicContact CG1-CG1 4.3Å; I109-V146 HydrophobicContact CG1-CG2 4.29Å; I109-V146 HydrophobicContact CG2-CG2 4.36Å |
| 110 | S | 97.2 | Very high | 94.8 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 112.5 | 179.5 | 46.4 | 0 | 0 | 0 | 0 | 110.2 | E108 H120 R139 T145 | E108-S110 PolarHBondContact OE1-OG 2.88Å; E108-S110 VanDerWaalsContact OE1-OG 3.11Å; S110-H120 WeakPolarHBondContact CA-O 3.33Å; S110-R139 PolarHBondContact O-NH1 3.39Å; S110-T145 PolarHBondContact N-O 3.3Å; S110-T145 PolarHBondContact O-N 3.24Å |
| 111 | S | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.4 | -171 | -162.1 | 0 | 0 | 0 | 0 | 112.9 | G60 M61 M66 T119 H120 G143 T144 | G60-S111 VanDerWaalsContact CA-OG 3.31Å; G60-S111 WeakPolarHBondContact CA-OG 3.47Å; M61-S111 PolarHBondContact N-OG 3.41Å; M66-S111 VanDerWaalsContact CE-CB 3.42Å; S111-T119 WeakPolarHBondContact O-CA 3.31Å; S111-H120 PolarHBondContact N-O 3.31Å; S111-H120 PolarHBondContact O-N 3.34Å; S111-G143 PolarHBondContact OG-O 2.95Å; S111-G143 VanDerWaalsContact OG-O 3.06Å; S111-T144 PolarHBondContact OG-OG1 3.24Å |
| 112 | R | 95.9 | Very high | 95 | Very high | 49 Ų | 49 | 43.6 Ų | 43.6 | 19% | 0.185 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 124.5 | -178.6 | 173.9 | 176.5 | 171.1 | -144.6 | -9.2 | 109.5 | G60 S116 T119 R139 A142 G143 | G60-R112 WeakPolarHBondContact CA-O 3.16Å; R112-S116 PolarHBondContact NE-O 3.12Å; R112-S116 PolarHBondContact NH2-O 3.18Å; R112-T119 HydrophobicContact CB-CG2 4.45Å; R112-R139 PolarHBondContact NH1-O 2.73Å; R112-A142 CarbonylContact O-C 3.59Å; R112-A142 WeakPolarHBondContact O-CA 3.47Å; R112-A142 WeakPolarHBondContact O-CB 3.38Å; R112-G143 PolarHBondContact N-O 2.97Å; R112-G143 VanDerWaalsContact N-O 3.07Å; R112-G143 PolarHBondContact O-N 3.48Å |
| 113 | T | 96.1 | Very high | 95.3 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 17% | 0.172 | 22% | 0.218 | C | C | . | . | trans | -77 | 158.9 | 174 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | S59 M61 T62 L115 S116 | S59-T113 WeakPolarHBondContact O-CA 3.42Å; M61-T113 VanDerWaalsContact C-CG2 3.46Å; M61-T113 WeakPolarHBondContact O-CG2 3.3Å; T62-T113 HydrophobicContact CG2-CG2 4.21Å; T113-L115 PolarHBondContact O-N 2.88Å; T113-S116 PolarHBondContact O-N 3.14Å; T113-S116 WeakPolarHBondContact OG1-CB 3.46Å; T113-S116 PolarHBondContact OG1-N 3.3Å | ||
| 114 | R | 93.1 | Very high | 95.5 | Very high | 171 Ų | 171 | 44.2 Ų | 44.2 | 65% | 0.645 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.3 | 174.9 | -68.3 | -175.3 | 179.9 | -156.5 | 0.3 | 114 | S116 A142 | R114-S116 VanDerWaalsContact C-N 3.34Å; R114-A142 HydrophobicContact CB-CB 4.3Å; R114-A142 HydrophobicContact CG-CB 3.56Å |
| 115 | L | 91 | Very high | 95.5 | Very high | 177 Ų | 177 | 49 Ų | 49 | 93% | 0.927 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -8 | 180 | -57.2 | 178.8 | 0 | 0 | 0 | 113 | T113 | T113-L115 PolarHBondContact O-N 2.88Š|
| 116 | S | 91.3 | Very high | 95.1 | Very high | 26 Ų | 26 | 52 Ų | 52 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | trans | -113.5 | 147.3 | -177.1 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | R112 T113 R114 K118 | R112-S116 PolarHBondContact NE-O 3.12Å; R112-S116 PolarHBondContact NH2-O 3.18Å; T113-S116 PolarHBondContact O-N 3.14Å; T113-S116 WeakPolarHBondContact OG1-CB 3.46Å; T113-S116 PolarHBondContact OG1-N 3.3Å; R114-S116 VanDerWaalsContact C-N 3.34Å; S116-K118 WeakPolarHBondContact OG-CA 3.37Å; S116-K118 WeakPolarHBondContact OG-CB 3.49Å; S116-K118 PolarHBondContact OG-N 3.29Å; S116-K118 PolarHBondContact OG-O 3.36Å; S116-K118 VanDerWaalsContact OG-O 3.14Å | ||
| 117 | V | 90.4 | Very high | 94.6 | Very high | 112 Ų | 112 | 50.9 Ų | 50.9 | 68% | 0.679 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -86.6 | -28.3 | 160.1 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | A138 | V117-A138 WeakPolarHBondContact O-CB 2.82Š|
| 118 | K | 93 | Very high | 94.1 | Very high | 96 Ų | 96 | 58.2 Ų | 58.2 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | trans | -71 | 141.4 | -178.9 | -52.3 | -164 | 151.1 | -152.3 | 0 | 111.5 | S116 E134 | S116-K118 WeakPolarHBondContact OG-CA 3.37Å; S116-K118 WeakPolarHBondContact OG-CB 3.49Å; S116-K118 PolarHBondContact OG-N 3.29Å; S116-K118 PolarHBondContact OG-O 3.36Å; S116-K118 VanDerWaalsContact OG-O 3.14Å; K118-E134 HydrophobicContact CB-CG 4.38Å; K118-E134 WeakPolarHBondContact CB-OE1 3.22Å; K118-E134 WeakPolarHBondContact CD-OE1 3.31Å; K118-E134 WeakPolarHBondContact CD-OE2 3.49Å; K118-E134 WeakPolarHBondContact CE-OE1 3.24Å; K118-E134 VanDerWaalsContact CE-OE2 3.29Å; K118-E134 WeakPolarHBondContact CE-OE2 3.3Å; K118-E134 WeakPolarHBondContact CG-OE1 3.48Å; K118-E134 IonicContact NZ-OE1 3.48Å; K118-E134 PolarHBondContact NZ-OE1 2.8Å; K118-E134 IonicContact NZ-OE2 2.67Å; K118-E134 PolarHBondContact NZ-OE2 2.9Å | ||
| 119 | T | 96.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | trans | -110.5 | 123.1 | 171.9 | -59.6 | 0 | 0 | 0 | 0 | 108.4 | S111 R112 E134 A135 A138 R139 | S111-T119 WeakPolarHBondContact O-CA 3.31Å; R112-T119 HydrophobicContact CB-CG2 4.45Å; T119-E134 WeakPolarHBondContact O-CA 3.42Å; T119-A135 HydrophobicContact CG2-CB 4.22Å; T119-A135 PolarHBondContact O-N 3.11Å; T119-A138 WeakPolarHBondContact OG1-CA 3.29Å; T119-R139 HydrophobicContact CG2-CB 4.31Å; T119-R139 HydrophobicContact CG2-CG 3.97Å; T119-R139 PolarHBondContact OG1-N 3.45Å | ||
| 120 | H | 96.8 | Very high | 93.6 | Very high | 33 Ų | 33 | 61.8 Ų | 61.8 | 15% | 0.153 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 141.3 | 177 | -55.6 | 112.6 | 0 | 0 | 0 | 109.7 | S110 S111 V132 F133 | S110-H120 WeakPolarHBondContact CA-O 3.33Å; S111-H120 PolarHBondContact N-O 3.31Å; S111-H120 PolarHBondContact O-N 3.34Å; H120-V132 HydrophobicContact CB-CG1 3.92Å; H120-F133 CarbonylContact C-O 3.55Å; H120-F133 WeakPolarHBondContact CA-O 3.28Å |
| 121 | V | 97.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 68.2 Ų | 68.2 | 6% | 0.055 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.6 | -178.9 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | E108 I109 V132 F133 A135 | E108-V121 HydrophobicContact CG-CG1 3.85Å; I109-V121 CarbonylContact O-C 3.6Å; I109-V121 WeakPolarHBondContact O-CA 3.43Å; V121-V132 WeakPolarHBondContact O-CA 3.21Å; V121-F133 HydrophobicContact CB-CD2 4.26Å; V121-F133 HydrophobicContact CB-CE1 4.11Å; V121-F133 HydrophobicContact CB-CE2 3.81Å; V121-F133 HydrophobicContact CB-CZ 3.72Å; V121-F133 HydrophobicContact CG1-CE1 4.11Å; V121-F133 HydrophobicContact CG1-CE2 4.14Å; V121-F133 HydrophobicContact CG1-CZ 3.63Å; V121-F133 HydrophobicContact CG2-CE2 4.24Å; V121-F133 PolarHBondContact N-O 2.74Å; V121-F133 PolarHBondContact O-N 3.03Å; V121-A135 HydrophobicContact CG2-CB 3.71Å |
| 122 | K | 97.2 | Very high | 93.3 | Very high | 16 Ų | 16 | 70 Ų | 70 | 7% | 0.07 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.3 | 164.4 | -169.7 | 168.3 | 178 | -171.1 | 0 | 110.2 | M66 E67 V69 I109 F124 M130 V132 | M66-K122 HydrophobicContact CG-CB 3.73Å; M66-K122 WeakPolarHBondContact O-CD 3.49Å; M66-K122 PolarHBondContact O-NZ 2.81Å; M66-K122 HydrophobicContact SD-CB 3.75Å; E67-K122 PolarHBondContact O-NZ 3.19Å; V69-K122 HydrophobicContact CG1-CD 4.2Å; V69-K122 PolarHBondContact O-NZ 2.75Å; I109-K122 PolarHBondContact N-O 3.38Å; I109-K122 PolarHBondContact O-N 2.88Å; K122-F124 HydrophobicContact CB-CE2 4.19Å; K122-F124 HydrophobicContact CD-CE1 4.23Å; K122-F124 HydrophobicContact CD-CE2 4.05Å; K122-F124 HydrophobicContact CD-CZ 3.56Å; K122-F124 HydrophobicContact CG-CD2 4.5Å; K122-F124 HydrophobicContact CG-CE1 4.49Å; K122-F124 HydrophobicContact CG-CE2 3.81Å; K122-F124 HydrophobicContact CG-CZ 3.8Å; K122-M130 WeakPolarHBondContact CE-O 3.45Å; K122-M130 WeakPolarHBondContact CG-O 3.48Å; K122-V132 HydrophobicContact CB-CG2 4.4Å; K122-V132 HydrophobicContact CD-CG2 4.11Å; K122-V132 HydrophobicContact CG-CG2 4.48Å |
| 123 | L | 97.1 | Very high | 93.2 | Very high | 31 Ų | 31 | 72 Ų | 72 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 139.7 | 175.7 | -66.6 | 174.4 | 0 | 0 | 0 | 109.6 | L106 V107 E108 M130 F133 | L106-L123 HydrophobicContact CD1-CD2 4.31Å; V107-L123 CarbonylContact O-C 3.56Å; E108-L123 HydrophobicContact CB-CD2 3.77Å; E108-L123 HydrophobicContact CG-CD2 3.75Å; L123-M130 HydrophobicContact CB-CB 4.44Å; L123-M130 HydrophobicContact CB-CG 4.44Å; L123-M130 HydrophobicContact CB-SD 4Å; L123-M130 HydrophobicContact CD1-SD 4.38Å; L123-M130 WeakPolarHBondContact O-CB 3.42Å; L123-M130 PolarHBondContact O-N 2.86Å; L123-F133 HydrophobicContact CD1-CE1 3.84Å; L123-F133 HydrophobicContact CD1-CZ 3.82Å; L123-F133 HydrophobicContact CG-CE1 3.88Å; L123-F133 HydrophobicContact CG-CZ 4.01Å |
| 124 | F | 96.5 | Very high | 93.2 | Very high | 7 Ų | 7 | 75 Ų | 75 | 3% | 0.031 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 126.1 | 170.2 | -55.3 | -99.6 | 0 | 0 | 0 | 108.9 | V69 V101 L106 V107 I109 K122 Q128 G129 | V69-F124 HydrophobicContact CG1-CE2 4.36Å; V69-F124 HydrophobicContact CG1-CZ 4.06Å; V69-F124 WeakPolarHBondContact O-CZ 3.46Å; V101-F124 HydrophobicContact CB-CD1 4.41Å; V101-F124 HydrophobicContact CB-CG 4.46Å; V101-F124 HydrophobicContact CG1-CB 3.86Å; V101-F124 HydrophobicContact CG1-CD1 3.65Å; V101-F124 HydrophobicContact CG1-CE1 4.47Å; V101-F124 HydrophobicContact CG1-CG 3.93Å; V101-F124 HydrophobicContact CG2-CB 4.02Å; V101-F124 HydrophobicContact CG2-CD1 3.82Å; V101-F124 HydrophobicContact CG2-CD2 3.88Å; V101-F124 HydrophobicContact CG2-CE1 4.23Å; V101-F124 HydrophobicContact CG2-CE2 4.3Å; V101-F124 HydrophobicContact CG2-CG 3.63Å; V101-F124 HydrophobicContact CG2-CZ 4.46Å; L106-F124 WeakPolarHBondContact CA-O 3.48Å; V107-F124 HydrophobicContact CB-CB 4.24Å; V107-F124 HydrophobicContact CB-CD2 4.21Å; V107-F124 PolarHBondContact N-O 3.08Å; V107-F124 PolarHBondContact O-N 3.42Å; I109-F124 HydrophobicContact CD1-CE2 3.98Å; I109-F124 HydrophobicContact CG1-CE2 4.27Å; K122-F124 HydrophobicContact CB-CE2 4.19Å; K122-F124 HydrophobicContact CD-CE1 4.23Å; K122-F124 HydrophobicContact CD-CE2 4.05Å; K122-F124 HydrophobicContact CD-CZ 3.56Å; K122-F124 HydrophobicContact CG-CD2 4.5Å; K122-F124 HydrophobicContact CG-CE1 4.49Å; K122-F124 HydrophobicContact CG-CE2 3.81Å; K122-F124 HydrophobicContact CG-CZ 3.8Å; F124-Q128 CarbonylContact C-O 3.54Å; F124-Q128 WeakPolarHBondContact CA-O 2.97Å; F124-G129 VanDerWaalsContact CD1-CA 3.41Å |
| 125 | K | 93.9 | Very high | 93.2 | Very high | 102 Ų | 102 | 68 Ų | 68 | 44% | 0.443 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.2 | 179.3 | -70 | 173.1 | -176.3 | 166.3 | 0 | 109.3 | T105 L106 G127 Q128 M130 | T105-K125 WeakPolarHBondContact O-CA 2.99Å; L106-K125 HydrophobicContact CD1-CG 3.9Å; K125-G127 PolarHBondContact O-N 2.93Å; K125-Q128 PolarHBondContact N-O 2.94Å; K125-Q128 PolarHBondContact O-N 3.38Å; K125-M130 HydrophobicContact CD-SD 3.96Å |
| 126 | D | 87.3 | Confident | 93 | Very high | 103 Ų | 103 | 69.9 Ų | 69.9 | 55% | 0.551 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 38.1 | -179.6 | -58.9 | -56 | 0 | 0 | 0 | 114.1 | T105 H153 | T105-D126 PolarHBondContact O-N 3.48Å; D126-H153 IonicContact OD1-NE2 3.84Å |
| 127 | G | 84.7 | Confident | 92.9 | Very high | 35 Ų | 35 | 72.3 Ų | 72.3 | 36% | 0.361 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | V101 K125 | V101-G127 WeakPolarHBondContact O-CA 3.46Å; K125-G127 PolarHBondContact O-N 2.93Å |
| 128 | Q | 87.9 | Confident | 92.9 | Very high | 157 Ų | 157 | 69.9 Ų | 69.9 | 73% | 0.734 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132.7 | 175.4 | -57.7 | -174.3 | 11.5 | 0 | 0 | 110.6 | F124 K125 | F124-Q128 CarbonylContact C-O 3.54Å; F124-Q128 WeakPolarHBondContact CA-O 2.97Å; K125-Q128 PolarHBondContact N-O 2.94Å; K125-Q128 PolarHBondContact O-N 3.38Å |
| 129 | G | 90.8 | Very high | 92.9 | Very high | 49 Ų | 49 | 66.6 Ų | 66.6 | 51% | 0.505 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 136.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F124 | F124-G129 VanDerWaalsContact CD1-CA 3.41Å |
| 130 | M | 93.4 | Very high | 92.5 | Very high | 85 Ų | 85 | 72.9 Ų | 72.9 | 42% | 0.419 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 169.3 | 166.7 | -60 | -177.9 | 62.3 | 0 | 0 | 110.3 | K122 L123 K125 | K122-M130 WeakPolarHBondContact CE-O 3.45Å; K122-M130 WeakPolarHBondContact CG-O 3.48Å; L123-M130 HydrophobicContact CB-CB 4.44Å; L123-M130 HydrophobicContact CB-CG 4.44Å; L123-M130 HydrophobicContact CB-SD 4Å; L123-M130 HydrophobicContact CD1-SD 4.38Å; L123-M130 WeakPolarHBondContact O-CB 3.42Å; L123-M130 PolarHBondContact O-N 2.86Å; K125-M130 HydrophobicContact CD-SD 3.96Å |
| 131 | D | 93.6 | Very high | 92.3 | Very high | 145 Ų | 145 | 73.7 Ų | 73.7 | 78% | 0.775 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 159.4 | 173.3 | -53.7 | -53.5 | 0 | 0 | 0 | 112.1 | ||
| 132 | V | 95.4 | Very high | 92.3 | Very high | 37 Ų | 37 | 74 Ų | 74 | 22% | 0.224 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 133.7 | 177.1 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | M66 E67 H120 V121 K122 | M66-V132 HydrophobicContact CB-CG1 4.05Å; M66-V132 HydrophobicContact CB-CG2 3.97Å; M66-V132 HydrophobicContact CG-CB 4.42Å; M66-V132 HydrophobicContact CG-CG1 3.78Å; M66-V132 HydrophobicContact CG-CG2 3.73Å; E67-V132 HydrophobicContact CB-CG2 4.33Å; E67-V132 HydrophobicContact CG-CB 4.37Å; E67-V132 HydrophobicContact CG-CG2 3.67Å; H120-V132 HydrophobicContact CB-CG1 3.92Å; V121-V132 WeakPolarHBondContact O-CA 3.21Å; K122-V132 HydrophobicContact CB-CG2 4.4Å; K122-V132 HydrophobicContact CD-CG2 4.11Å; K122-V132 HydrophobicContact CG-CG2 4.48Å |
| 133 | F | 95.1 | Very high | 92.3 | Very high | 91 Ų | 91 | 73.2 Ų | 73.2 | 40% | 0.399 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 161.8 | 176.4 | 61.5 | -84.5 | 0 | 0 | 0 | 111.8 | H120 V121 L123 | H120-F133 CarbonylContact C-O 3.55Å; H120-F133 WeakPolarHBondContact CA-O 3.28Å; V121-F133 HydrophobicContact CB-CD2 4.26Å; V121-F133 HydrophobicContact CB-CE1 4.11Å; V121-F133 HydrophobicContact CB-CE2 3.81Å; V121-F133 HydrophobicContact CB-CZ 3.72Å; V121-F133 HydrophobicContact CG1-CE1 4.11Å; V121-F133 HydrophobicContact CG1-CE2 4.14Å; V121-F133 HydrophobicContact CG1-CZ 3.63Å; V121-F133 HydrophobicContact CG2-CE2 4.24Å; V121-F133 PolarHBondContact N-O 2.74Å; V121-F133 PolarHBondContact O-N 3.03Å; L123-F133 HydrophobicContact CD1-CE1 3.84Å; L123-F133 HydrophobicContact CD1-CZ 3.82Å; L123-F133 HydrophobicContact CG-CE1 3.88Å; L123-F133 HydrophobicContact CG-CZ 4.01Å |
| 134 | E | 95.3 | Very high | 92.3 | Very high | 91 Ų | 91 | 72.6 Ų | 72.6 | 43% | 0.425 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 134.7 | 174.3 | -174.3 | 170.3 | -175.8 | 0 | 0 | 110.5 | K118 T119 | K118-E134 HydrophobicContact CB-CG 4.38Å; K118-E134 WeakPolarHBondContact CB-OE1 3.22Å; K118-E134 WeakPolarHBondContact CD-OE1 3.31Å; K118-E134 WeakPolarHBondContact CD-OE2 3.49Å; K118-E134 WeakPolarHBondContact CE-OE1 3.24Å; K118-E134 VanDerWaalsContact CE-OE2 3.29Å; K118-E134 WeakPolarHBondContact CE-OE2 3.3Å; K118-E134 WeakPolarHBondContact CG-OE1 3.48Å; K118-E134 IonicContact NZ-OE1 3.48Å; K118-E134 PolarHBondContact NZ-OE1 2.8Å; K118-E134 IonicContact NZ-OE2 2.67Å; K118-E134 PolarHBondContact NZ-OE2 2.9Å; T119-E134 WeakPolarHBondContact O-CA 3.42Å |
| 135 | A | 92.1 | Very high | 92.4 | Very high | 23 Ų | 23 | 72.7 Ų | 72.7 | 19% | 0.19 | 42% | 0.419 | C | S | . | . | trans | -71.6 | 135.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T119 V121 A137 | T119-A135 HydrophobicContact CG2-CB 4.22Å; T119-A135 PolarHBondContact O-N 3.11Å; V121-A135 HydrophobicContact CG2-CB 3.71Å; A135-A137 WeakPolarHBondContact CB-O 3.38Å; A135-A137 PolarHBondContact O-N 3.09Å | ||
| 136 | E | 88.1 | Confident | 92.6 | Very high | 217 Ų | 217 | 68.3 Ų | 68.3 | 100% | 1.014 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -52.9 | -36.7 | 169.6 | -61.2 | 178.6 | 172.8 | 0 | 0 | 112.4 | ||
| 137 | A | 88.9 | Confident | 93.1 | Very high | 78 Ų | 78 | 64.6 Ų | 64.6 | 65% | 0.645 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -113.3 | 109.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A135 | A135-A137 WeakPolarHBondContact CB-O 3.38Å; A135-A137 PolarHBondContact O-N 3.09Å |
| 138 | A | 89.4 | Confident | 93.8 | Very high | 60 Ų | 60 | 63 Ų | 63 | 50% | 0.496 | 36% | 0.363 | S | S | . | . | trans | -64 | 139.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V117 T119 | V117-A138 WeakPolarHBondContact O-CB 2.82Å; T119-A138 WeakPolarHBondContact OG1-CA 3.29Å | ||
| 139 | R | 93 | Very high | 94.2 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 11% | 0.106 | 34% | 0.339 | C | S | . | . | trans | -67.3 | 139 | 178 | -81.2 | -179.2 | 60.2 | -138.7 | -8.9 | 111.4 | D56 S110 R112 T119 S141 G143 T144 T145 | D56-R139 PolarHBondContact O-NH2 3.48Å; S110-R139 PolarHBondContact O-NH1 3.39Å; R112-R139 PolarHBondContact NH1-O 2.73Å; T119-R139 HydrophobicContact CG2-CB 4.31Å; T119-R139 HydrophobicContact CG2-CG 3.97Å; T119-R139 PolarHBondContact OG1-N 3.45Å; R139-S141 PolarHBondContact O-N 2.71Å; R139-G143 PolarHBondContact NH1-O 2.8Å; R139-T144 PolarHBondContact NH2-O 2.81Å; R139-T145 PolarHBondContact NE-OG1 2.94Å; R139-T145 VanDerWaalsContact NE-OG1 3.13Å; R139-T145 VanDerWaalsContact NH1-N 3.2Å | ||
| 140 | P | 88.9 | Confident | 94.3 | Very high | 133 Ų | 133 | 57.4 Ų | 57.4 | 86% | 0.864 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -64.7 | -27.7 | -171.7 | 25.3 | -35.1 | 0 | 0 | 0 | 113.1 | ||
| 141 | S | 93.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 53.4 Ų | 53.4 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -122.8 | 162.2 | 170 | 70.8 | 0 | 0 | 0 | 0 | 111.2 | R139 | R139-S141 PolarHBondContact O-N 2.71Š|
| 142 | A | 95.7 | Very high | 94.2 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 12% | 0.116 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -62.5 | 167.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N57 R112 R114 | N57-A142 VanDerWaalsContact CA-O 3.32Å; N57-A142 WeakPolarHBondContact CA-O 3.45Å; R112-A142 CarbonylContact O-C 3.59Å; R112-A142 WeakPolarHBondContact O-CA 3.47Å; R112-A142 WeakPolarHBondContact O-CB 3.38Å; R114-A142 HydrophobicContact CB-CB 4.3Å; R114-A142 HydrophobicContact CG-CB 3.56Å |
| 143 | G | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 118.3 | -165.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D56 G58 S111 R112 R139 | D56-G143 WeakPolarHBondContact OD1-CA 3.46Å; G58-G143 PolarHBondContact O-N 3.46Å; S111-G143 PolarHBondContact OG-O 2.95Å; S111-G143 VanDerWaalsContact OG-O 3.06Å; R112-G143 PolarHBondContact N-O 2.97Å; R112-G143 VanDerWaalsContact N-O 3.07Å; R112-G143 PolarHBondContact O-N 3.48Å; R139-G143 PolarHBondContact NH1-O 2.8Å |
| 144 | T | 98.3 | Very high | 93.6 | Very high | 18 Ų | 18 | 45 Ų | 45 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 149.6 | 179.7 | -63.2 | 0 | 0 | 0 | 0 | 112 | D56 I109 S111 R139 V146 | D56-T144 PolarHBondContact N-O 2.88Å; D56-T144 PolarHBondContact OD1-N 3.38Å; I109-T144 HydrophobicContact CG2-CG2 4.14Å; S111-T144 PolarHBondContact OG-OG1 3.24Å; R139-T144 PolarHBondContact NH2-O 2.81Å; T144-V146 HydrophobicContact CG2-CG2 4Å |
| 145 | T | 98.1 | Very high | 93.3 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 6% | 0.055 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.3 | 166.4 | -67.6 | 0 | 0 | 0 | 0 | 107.7 | Q53 V54 I55 I109 S110 R139 I147 | Q53-T145 HydrophobicContact CG-CG2 4.37Å; V54-T145 CarbonylContact O-C 3.42Å; V54-T145 WeakPolarHBondContact O-CA 3.34Å; I55-T145 HydrophobicContact CG1-CG2 3.95Å; I109-T145 WeakPolarHBondContact CA-O 3.27Å; S110-T145 PolarHBondContact N-O 3.3Å; S110-T145 PolarHBondContact O-N 3.24Å; R139-T145 PolarHBondContact NE-OG1 2.94Å; R139-T145 VanDerWaalsContact NE-OG1 3.13Å; R139-T145 VanDerWaalsContact NH1-N 3.2Å; T145-I147 HydrophobicContact CG2-CD1 4.45Å; T145-I147 HydrophobicContact CG2-CG1 3.96Å |
| 146 | V | 98.4 | Very high | 93.1 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121.3 | 173.1 | -178 | 0 | 0 | 0 | 0 | 108.3 | L29 Q53 V54 V107 E108 I109 T144 I148 | L29-V146 HydrophobicContact CD1-CB 4.45Å; L29-V146 HydrophobicContact CD1-CG1 4.27Å; L29-V146 HydrophobicContact CD2-CB 4.08Å; L29-V146 HydrophobicContact CD2-CG1 3.97Å; L29-V146 HydrophobicContact CD2-CG2 4.03Å; Q53-V146 CarbonylContact C-O 3.58Å; Q53-V146 VanDerWaalsContact CA-O 3.3Å; Q53-V146 WeakPolarHBondContact CA-O 3.31Å; V54-V146 PolarHBondContact N-O 2.84Å; V54-V146 PolarHBondContact O-N 3.32Å; V107-V146 HydrophobicContact CG1-CG1 4.15Å; E108-V146 CarbonylContact O-C 3.56Å; E108-V146 WeakPolarHBondContact O-CA 3.2Å; I109-V146 HydrophobicContact CG1-CG1 4.3Å; I109-V146 HydrophobicContact CG1-CG2 4.29Å; I109-V146 HydrophobicContact CG2-CG2 4.36Å; T144-V146 HydrophobicContact CG2-CG2 4Å; V146-I148 HydrophobicContact CG1-CD1 4.47Å; V146-I148 HydrophobicContact CG1-CG1 4.17Å |
| 147 | I | 98 | Very high | 93.2 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.8 | 174.1 | -45.4 | -177.9 | 0 | 0 | 0 | 108.2 | Q53 V107 E108 T145 | Q53-I147 HydrophobicContact CB-CG1 4.44Å; Q53-I147 HydrophobicContact CB-CG2 4.46Å; Q53-I147 HydrophobicContact CG-CG1 4.09Å; V107-I147 CarbonylContact C-O 3.52Å; V107-I147 VanDerWaalsContact CA-O 3.28Å; V107-I147 WeakPolarHBondContact CA-O 3.3Å; E108-I147 HydrophobicContact CB-CB 4.21Å; E108-I147 PolarHBondContact N-O 3.37Å; E108-I147 PolarHBondContact O-N 3.49Å; T145-I147 HydrophobicContact CG2-CD1 4.45Å; T145-I147 HydrophobicContact CG2-CG1 3.96Å |
| 148 | I | 97.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.3 | 179.1 | -59.7 | 164.3 | 0 | 0 | 0 | 106.7 | C25 L29 K51 V52 I100 A104 V107 V146 F151 | C25-I148 VanDerWaalsContact SG-CD1 3.53Å; L29-I148 HydrophobicContact CD1-CD1 3.77Å; K51-I148 CarbonylContact C-O 3.48Å; K51-I148 WeakPolarHBondContact CA-O 3.39Å; K51-I148 WeakPolarHBondContact CG-O 3.49Å; V52-I148 PolarHBondContact N-O 3.16Å; V52-I148 PolarHBondContact O-N 3.34Å; I100-I148 HydrophobicContact CD1-CD1 4.47Å; I100-I148 HydrophobicContact CG2-CD1 3.43Å; I100-I148 VanDerWaalsContact CG2-CD1 3.43Å; I100-I148 HydrophobicContact CG2-CG1 3.77Å; I100-I148 HydrophobicContact CG2-CG2 4.4Å; A104-I148 HydrophobicContact CB-CG2 3.64Å; V107-I148 HydrophobicContact CG1-CG1 4.34Å; V107-I148 HydrophobicContact CG2-CG1 4.49Å; V146-I148 HydrophobicContact CG1-CD1 4.47Å; V146-I148 HydrophobicContact CG1-CG1 4.17Å; I148-F151 HydrophobicContact CG2-CB 4.24Å; I148-F151 HydrophobicContact CG2-CD2 3.79Å; I148-F151 HydrophobicContact CG2-CG 4.39Å |
| 149 | C | 96.5 | Very high | 93.1 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 23% | 0.23 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.1 | 177 | -64.5 | 0 | 0 | 0 | 0 | 111 | T105 L106 | T105-C149 PolarHBondContact N-O 3.2Å; L106-C149 HydrophobicContact CB-CB 4.25Å; L106-C149 PolarHBondContact O-N 2.9Å |
| 150 | N | 93.7 | Very high | 92.9 | Very high | 54 Ų | 54 | 44.3 Ų | 44.3 | 29% | 0.289 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 58.6 | 48.9 | 176.4 | -155.4 | 36.1 | 0 | 0 | 0 | 112.5 | A49 F50 T105 H153 R159 | A49-N150 PolarHBondContact O-N 3.44Å; F50-N150 PolarHBondContact O-N 2.79Å; F50-N150 VanDerWaalsContact O-N 3.14Å; T105-N150 PolarHBondContact OG1-ND2 2.87Å; N150-H153 WeakPolarHBondContact ND2-CB 3.35Å; N150-H153 WeakPolarHBondContact O-CB 3.49Å; N150-H153 PolarHBondContact O-N 3.38Å; N150-R159 VanDerWaalsContact OD1-CZ 3.23Å; N150-R159 PolarHBondContact OD1-NH1 3.38Å; N150-R159 PolarHBondContact OD1-NH2 2.73Å |
| 151 | F | 93.3 | Very high | 93 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 144.8 | -179.9 | -163.3 | -118.3 | 0 | 0 | 0 | 112 | I19 L22 C25 F50 I100 L103 A104 I148 H153 | I19-F151 HydrophobicContact CG2-CZ 3.86Å; L22-F151 HydrophobicContact CD1-CB 4.34Å; L22-F151 HydrophobicContact CD1-CD1 3.44Å; L22-F151 VanDerWaalsContact CD1-CD1 3.44Å; L22-F151 HydrophobicContact CD1-CE1 3.91Å; L22-F151 HydrophobicContact CD1-CG 4.08Å; C25-F151 HydrophobicContact CB-CE1 4.12Å; C25-F151 HydrophobicContact CB-CZ 3.89Å; F50-F151 HydrophobicContact CB-CB 4.39Å; F50-F151 PolarHBondContact O-N 2.9Å; I100-F151 HydrophobicContact CG2-CE2 4.4Å; L103-F151 HydrophobicContact CB-CD2 4.19Å; L103-F151 HydrophobicContact CB-CE2 3.75Å; L103-F151 HydrophobicContact CB-CZ 4.34Å; L103-F151 HydrophobicContact CD1-CE2 4.14Å; L103-F151 HydrophobicContact CD1-CZ 3.98Å; A104-F151 HydrophobicContact CB-CD2 4.34Å; I148-F151 HydrophobicContact CG2-CB 4.24Å; I148-F151 HydrophobicContact CG2-CD2 3.79Å; I148-F151 HydrophobicContact CG2-CG 4.39Å; F151-H153 PolarHBondContact O-N 2.83Å |
| 152 | F | 92 | Very high | 92.7 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 21.5 | -171.7 | -57.3 | -33.8 | 0 | 0 | 0 | 115.7 | L103 N154 M155 R158 R159 V162 | L103-F152 HydrophobicContact CD1-CD1 4.37Å; L103-F152 HydrophobicContact CD1-CE1 4.09Å; L103-F152 HydrophobicContact CD2-CD1 4.22Å; L103-F152 WeakPolarHBondContact O-CA 3.44Å; L103-F152 PolarHBondContact O-N 3.05Å; F152-N154 VanDerWaalsContact C-N 3.3Å; F152-N154 PolarHBondContact O-N 3.42Å; F152-M155 HydrophobicContact CB-CB 4.14Å; F152-M155 CarbonylContact O-C 3.55Å; F152-M155 PolarHBondContact O-N 3.47Å; F152-R158 HydrophobicContact CD2-CB 4.37Å; F152-R158 HydrophobicContact CG-CB 4.46Å; F152-R158 VanDerWaalsContact CZ-NH2 3.34Å; F152-R159 HydrophobicContact CB-CB 3.94Å; F152-R159 HydrophobicContact CB-CG 4.34Å; F152-V162 HydrophobicContact CD2-CG2 4.23Å; F152-V162 HydrophobicContact CE2-CG2 4.16Å |
| 153 | H | 90.1 | Very high | 92.5 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -45.8 | 177.6 | 73.3 | -67.3 | 0 | 0 | 0 | 113.5 | L103 A104 T105 D126 N150 F151 M155 | L103-H153 PolarHBondContact O-N 3.23Å; L103-H153 PolarHBondContact O-ND1 2.99Å; A104-H153 VanDerWaalsContact C-ND1 3.26Å; A104-H153 PolarHBondContact O-CE1 3.11Å; T105-H153 PolarHBondContact N-ND1 3.15Å; T105-H153 WeakPolarHBondContact OG1-CB 3.4Å; T105-H153 PolarHBondContact OG1-CD2 3.45Å; D126-H153 IonicContact OD1-NE2 3.84Å; N150-H153 WeakPolarHBondContact ND2-CB 3.35Å; N150-H153 WeakPolarHBondContact O-CB 3.49Å; N150-H153 PolarHBondContact O-N 3.38Å; F151-H153 PolarHBondContact O-N 2.83Å; H153-M155 VanDerWaalsContact C-N 3.26Å; H153-M155 PolarHBondContact O-N 3.24Å |
| 154 | N | 88.5 | Confident | 92.2 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 24% | 0.235 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 10.4 | -179.6 | 62.5 | 12.8 | 0 | 0 | 0 | 113.8 | S102 F152 | S102-N154 PolarHBondContact O-ND2 2.86Å; F152-N154 VanDerWaalsContact C-N 3.3Å; F152-N154 PolarHBondContact O-N 3.42Å |
| 155 | M | 88.6 | Confident | 91.8 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 15% | 0.153 | 29% | 0.292 | C | S | . | . | trans | -131.8 | 59.8 | -176.6 | -73.2 | -76 | -174.6 | 0 | 0 | 111 | K12 L103 F152 H153 V157 R158 R159 | K12-M155 HydrophobicContact CB-CE 3.7Å; K12-M155 HydrophobicContact CG-CE 3.88Å; K12-M155 WeakPolarHBondContact O-CE 3.19Å; L103-M155 HydrophobicContact CD2-CE 4.15Å; L103-M155 HydrophobicContact CD2-CG 3.76Å; F152-M155 HydrophobicContact CB-CB 4.14Å; F152-M155 CarbonylContact O-C 3.55Å; F152-M155 PolarHBondContact O-N 3.47Å; H153-M155 VanDerWaalsContact C-N 3.26Å; H153-M155 PolarHBondContact O-N 3.24Å; M155-V157 VanDerWaalsContact C-N 3.29Å; M155-V157 PolarHBondContact O-N 3.23Å; M155-V157 VanDerWaalsContact O-N 3.13Å; M155-R158 HydrophobicContact CB-CB 4.12Å; M155-R158 HydrophobicContact CB-CG 4.34Å; M155-R158 WeakPolarHBondContact O-CB 2.97Å; M155-R158 PolarHBondContact O-N 3.4Å; M155-R159 PolarHBondContact O-N 2.67Å | ||
| 156 | P | 87.2 | Confident | 91.5 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 59% | 0.591 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.7 | -34.4 | -167.5 | 22.1 | -34.2 | 0 | 0 | 0 | 114.1 | R159 K160 | P156-R159 PolarHBondContact O-N 2.93Å; P156-K160 VanDerWaalsContact O-CB 3.31Å; P156-K160 WeakPolarHBondContact O-CB 3.43Å; P156-K160 PolarHBondContact O-N 2.94Å |
| 157 | V | 89.7 | Confident | 91.2 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 58% | 0.576 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -67.9 | -35.4 | 176.4 | -178.7 | 0 | 0 | 0 | 0 | 112 | M155 R161 | M155-V157 VanDerWaalsContact C-N 3.29Å; M155-V157 PolarHBondContact O-N 3.23Å; M155-V157 VanDerWaalsContact O-N 3.13Å; V157-R161 WeakPolarHBondContact O-CD 3.4Å; V157-R161 VanDerWaalsContact O-CG 3.24Å; V157-R161 WeakPolarHBondContact O-CG 3.43Å; V157-R161 PolarHBondContact O-N 3.3Å |
| 158 | R | 88.1 | Confident | 91 | Very high | 50 Ų | 50 | 59.8 Ų | 59.8 | 19% | 0.189 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.4 | -44.1 | 175 | -64 | 175.3 | 60.4 | -171.5 | -0.1 | 110 | I19 P20 F152 M155 K160 R161 V162 | I19-R158 PolarHBondContact O-NH2 3.39Å; P20-R158 VanDerWaalsContact CA-NH2 3.26Å; P20-R158 PolarHBondContact O-NH2 3.25Å; F152-R158 HydrophobicContact CD2-CB 4.37Å; F152-R158 HydrophobicContact CG-CB 4.46Å; F152-R158 VanDerWaalsContact CZ-NH2 3.34Å; M155-R158 HydrophobicContact CB-CB 4.12Å; M155-R158 HydrophobicContact CB-CG 4.34Å; M155-R158 WeakPolarHBondContact O-CB 2.97Å; M155-R158 PolarHBondContact O-N 3.4Å; R158-K160 PolarHBondContact O-N 3.37Å; R158-R161 PolarHBondContact O-N 3.04Å; R158-R161 VanDerWaalsContact O-N 3.12Å; R158-V162 PolarHBondContact O-N 3.09Å |
| 159 | R | 89.8 | Confident | 90.8 | Very high | 61 Ų | 61 | 62.7 Ų | 62.7 | 23% | 0.23 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60 | -45.5 | 177.2 | -162.1 | 179.6 | -177.5 | 164.7 | 4.9 | 112.7 | F50 N150 F152 M155 P156 R161 V162 | F50-R159 HydrophobicContact CD1-CG 3.95Å; F50-R159 VanDerWaalsContact CD2-NH2 3.26Å; F50-R159 HydrophobicContact CE1-CG 3.45Å; F50-R159 VanDerWaalsContact CE1-CG 3.45Å; F50-R159 HydrophobicContact CE2-CG 4.22Å; F50-R159 HydrophobicContact CZ-CG 3.6Å; N150-R159 VanDerWaalsContact OD1-CZ 3.23Å; N150-R159 PolarHBondContact OD1-NH1 3.38Å; N150-R159 PolarHBondContact OD1-NH2 2.73Å; F152-R159 HydrophobicContact CB-CB 3.94Å; F152-R159 HydrophobicContact CB-CG 4.34Å; M155-R159 PolarHBondContact O-N 2.67Å; P156-R159 PolarHBondContact O-N 2.93Å; R159-R161 PolarHBondContact O-N 3.25Å; R159-V162 WeakPolarHBondContact O-CB 3.46Å; R159-V162 PolarHBondContact O-N 3.1Å; R159-V162 VanDerWaalsContact O-N 3.14Å |
| 160 | K | 88.7 | Confident | 90.7 | Very high | 154 Ų | 154 | 66 Ų | 66 | 67% | 0.67 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.2 | 176.9 | -172.3 | 166.6 | 177.5 | 172.5 | 0 | 113.9 | P156 R158 I887 | P156-K160 VanDerWaalsContact O-CB 3.31Å; P156-K160 WeakPolarHBondContact O-CB 3.43Å; P156-K160 PolarHBondContact O-N 2.94Å; R158-K160 PolarHBondContact O-N 3.37Å; K160-I887 PolarHBondContact NZ-O 2.73Å |
| 161 | R | 89.8 | Confident | 90.8 | Very high | 207 Ų | 207 | 63.5 Ų | 63.5 | 78% | 0.781 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -3.2 | 173 | -74.7 | 175.2 | 178.8 | -167.6 | 0.3 | 113.7 | V157 R158 R159 D163 | V157-R161 WeakPolarHBondContact O-CD 3.4Å; V157-R161 VanDerWaalsContact O-CG 3.24Å; V157-R161 WeakPolarHBondContact O-CG 3.43Å; V157-R161 PolarHBondContact O-N 3.3Å; R158-R161 PolarHBondContact O-N 3.04Å; R158-R161 VanDerWaalsContact O-N 3.12Å; R159-R161 PolarHBondContact O-N 3.25Å; R161-D163 PolarHBondContact O-N 3.48Å |
| 162 | V | 87.8 | Confident | 91 | Very high | 31 Ų | 31 | 66.1 Ų | 66.1 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | trans | -75.6 | 109.9 | 173.6 | 166.5 | 0 | 0 | 0 | 0 | 109 | M47 F50 F152 R158 R159 E167 | M47-V162 HydrophobicContact CE-CG1 3.9Å; F50-V162 HydrophobicContact CE1-CB 3.99Å; F50-V162 HydrophobicContact CE1-CG1 3.97Å; F50-V162 HydrophobicContact CE1-CG2 4.18Å; F50-V162 HydrophobicContact CZ-CB 4.34Å; F50-V162 HydrophobicContact CZ-CG1 4.28Å; F152-V162 HydrophobicContact CD2-CG2 4.23Å; F152-V162 HydrophobicContact CE2-CG2 4.16Å; R158-V162 PolarHBondContact O-N 3.09Å; R159-V162 WeakPolarHBondContact O-CB 3.46Å; R159-V162 PolarHBondContact O-N 3.1Å; R159-V162 VanDerWaalsContact O-N 3.14Å; V162-E167 HydrophobicContact CG1-CB 4.42Å; V162-E167 HydrophobicContact CG1-CG 3.94Å; V162-E167 HydrophobicContact CG2-CG 4.5Å | ||
| 163 | D | 91.8 | Very high | 91.1 | Very high | 78 Ų | 78 | 70.5 Ų | 70.5 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | trans | -79.2 | 120.7 | 159.2 | -177.6 | -63.6 | 0 | 0 | 0 | 108.1 | R161 V165 L166 E167 | R161-D163 PolarHBondContact O-N 3.48Å; D163-V165 VanDerWaalsContact C-N 3.34Å; D163-V165 PolarHBondContact O-N 3.26Å; D163-V165 WeakPolarHBondContact OD1-CA 3.22Å; D163-V165 WeakPolarHBondContact OD1-CB 3.46Å; D163-V165 PolarHBondContact OD1-N 3.33Å; D163-L166 HydrophobicContact CB-CB 4.09Å; D163-L166 HydrophobicContact CB-CD1 4.08Å; D163-L166 HydrophobicContact CB-CG 4.21Å; D163-L166 PolarHBondContact OD1-N 2.86Å; D163-E167 WeakPolarHBondContact O-CB 3.07Å; D163-E167 PolarHBondContact O-N 3.12Å | ||
| 164 | A | 89.5 | Confident | 91.4 | Very high | 47 Ų | 47 | 69.4 Ų | 69.4 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.1 | -32 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | M47 V168 | M47-A164 HydrophobicContact CB-CB 4.06Å; M47-A164 HydrophobicContact CE-CB 4.33Å; M47-A164 HydrophobicContact CG-CB 4.46Å; A164-V168 VanDerWaalsContact O-CB 3.23Å; A164-V168 WeakPolarHBondContact O-CB 3.22Å; A164-V168 WeakPolarHBondContact O-CG2 3.14Å; A164-V168 PolarHBondContact O-N 3.04Å |
| 165 | V | 89.6 | Confident | 91.8 | Very high | 113 Ų | 113 | 67.6 Ų | 67.6 | 69% | 0.685 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -75.3 | -45.4 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | D163 V168 E169 | D163-V165 VanDerWaalsContact C-N 3.34Å; D163-V165 PolarHBondContact O-N 3.26Å; D163-V165 WeakPolarHBondContact OD1-CA 3.22Å; D163-V165 WeakPolarHBondContact OD1-CB 3.46Å; D163-V165 PolarHBondContact OD1-N 3.33Å; V165-V168 PolarHBondContact O-N 2.88Å; V165-E169 WeakPolarHBondContact O-CB 3.22Å; V165-E169 PolarHBondContact O-N 3.45Å |
| 166 | L | 92.2 | Very high | 92.2 | Very high | 87 Ų | 87 | 66.7 Ų | 66.7 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.2 | -38 | -178.9 | -61.6 | 177.7 | 0 | 0 | 0 | 113.1 | D163 R170 | D163-L166 HydrophobicContact CB-CB 4.09Å; D163-L166 HydrophobicContact CB-CD1 4.08Å; D163-L166 HydrophobicContact CB-CG 4.21Å; D163-L166 PolarHBondContact OD1-N 2.86Å; L166-R170 WeakPolarHBondContact O-CB 3.22Å; L166-R170 WeakPolarHBondContact O-CD 3.41Å; L166-R170 WeakPolarHBondContact O-CG 3.31Å; L166-R170 PolarHBondContact O-N 3.5Å |
| 167 | E | 93.3 | Very high | 92.6 | Very high | 10 Ų | 10 | 62.6 Ų | 62.6 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 173.8 | -77.7 | -65.2 | 98.3 | 0 | 0 | 111.9 | S21 L22 Q23 M47 V162 D163 R170 I171 | S21-E167 WeakPolarHBondContact CB-OE2 3.37Å; L22-E167 PolarHBondContact N-OE2 2.73Å; Q23-E167 PolarHBondContact N-OE2 3.24Å; M47-E167 HydrophobicContact CE-CB 3.88Å; V162-E167 HydrophobicContact CG1-CB 4.42Å; V162-E167 HydrophobicContact CG1-CG 3.94Å; V162-E167 HydrophobicContact CG2-CG 4.5Å; D163-E167 WeakPolarHBondContact O-CB 3.07Å; D163-E167 PolarHBondContact O-N 3.12Å; E167-R170 PolarHBondContact O-N 3.29Å; E167-R170 VanDerWaalsContact OE1-CD 3.27Å; E167-R170 WeakPolarHBondContact OE1-CD 3.37Å; E167-R170 IonicContact OE1-CZ 3.43Å; E167-R170 IonicContact OE1-NE 3.26Å; E167-R170 IonicContact OE1-NH1 3.61Å; E167-R170 PolarHBondContact OE1-NH1 2.86Å; E167-I171 WeakPolarHBondContact O-CD1 3.17Å; E167-I171 VanDerWaalsContact O-CG1 3.24Å; E167-I171 WeakPolarHBondContact O-CG1 3.41Å; E167-I171 PolarHBondContact O-N 3.04Å |
| 168 | V | 93.1 | Very high | 93 | Very high | 14 Ų | 14 | 58.7 Ų | 58.7 | 9% | 0.085 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 175.1 | 158.2 | 0 | 0 | 0 | 0 | 111.6 | M45 M47 A164 V165 I171 R172 M198 | M45-V168 HydrophobicContact CE-CB 4.27Å; M45-V168 HydrophobicContact CE-CG1 3.76Å; M45-V168 HydrophobicContact CE-CG2 3.94Å; M45-V168 HydrophobicContact SD-CG2 4.03Å; M47-V168 HydrophobicContact CE-CG2 4.37Å; M47-V168 HydrophobicContact CG-CG2 3.49Å; M47-V168 VanDerWaalsContact CG-CG2 3.49Å; M47-V168 HydrophobicContact SD-CG2 3.91Å; A164-V168 VanDerWaalsContact O-CB 3.23Å; A164-V168 WeakPolarHBondContact O-CB 3.22Å; A164-V168 WeakPolarHBondContact O-CG2 3.14Å; A164-V168 PolarHBondContact O-N 3.04Å; V165-V168 PolarHBondContact O-N 2.88Å; V168-I171 PolarHBondContact O-N 3.23Å; V168-R172 PolarHBondContact O-N 3.48Å; V168-M198 HydrophobicContact CG1-CE 3.34Å; V168-M198 HydrophobicContact CG1-SD 3.51Å; V168-M198 VanDerWaalsContact CG1-SD 3.51Å |
| 169 | E | 94 | Very high | 93.4 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 29% | 0.285 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 177.6 | 176.9 | 56.8 | -166.3 | 0 | 0 | 112 | V165 I171 R172 Q173 | V165-E169 WeakPolarHBondContact O-CB 3.22Å; V165-E169 PolarHBondContact O-N 3.45Å; E169-I171 PolarHBondContact O-N 3.38Å; E169-R172 WeakPolarHBondContact O-CB 3.13Å; E169-R172 PolarHBondContact O-N 3Å; E169-R172 IonicContact OE1-CZ 3.63Å; E169-R172 IonicContact OE1-NE 3.23Å; E169-R172 IonicContact OE1-NH2 3.52Å; E169-R172 PolarHBondContact OE1-NH2 2.93Å; E169-R172 IonicContact OE2-CZ 2.73Å; E169-R172 IonicContact OE2-NE 3.08Å; E169-R172 PolarHBondContact OE2-NE 3.31Å; E169-R172 IonicContact OE2-NH2 3.56Å; E169-R172 PolarHBondContact OE2-NH2 2.59Å; E169-Q173 WeakPolarHBondContact O-CB 3.39Å; E169-Q173 VanDerWaalsContact O-CG 3.31Å; E169-Q173 WeakPolarHBondContact O-CG 3.47Å; E169-Q173 PolarHBondContact O-N 2.99Å; E169-Q173 PolarHBondContact OE1-NE2 2.7Å |
| 170 | R | 94.4 | Very high | 93.8 | Very high | 105 Ų | 105 | 53.4 Ų | 53.4 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 171.9 | -73.8 | 164 | -170.3 | 155.2 | 7.1 | 112.3 | Q23 L166 E167 R174 | Q23-R170 HydrophobicContact CB-CB 4.24Å; Q23-R170 HydrophobicContact CG-CB 4.17Å; L166-R170 WeakPolarHBondContact O-CB 3.22Å; L166-R170 WeakPolarHBondContact O-CD 3.41Å; L166-R170 WeakPolarHBondContact O-CG 3.31Å; L166-R170 PolarHBondContact O-N 3.5Å; E167-R170 PolarHBondContact O-N 3.29Å; E167-R170 VanDerWaalsContact OE1-CD 3.27Å; E167-R170 WeakPolarHBondContact OE1-CD 3.37Å; E167-R170 IonicContact OE1-CZ 3.43Å; E167-R170 IonicContact OE1-NE 3.26Å; E167-R170 IonicContact OE1-NH1 3.61Å; E167-R170 PolarHBondContact OE1-NH1 2.86Å; R170-R174 VanDerWaalsContact O-CB 3.25Å; R170-R174 WeakPolarHBondContact O-CB 3.38Å; R170-R174 PolarHBondContact O-N 2.85Å |
| 171 | I | 96.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 175.3 | -69.5 | 160.5 | 0 | 0 | 0 | 110.2 | L22 Q23 V26 M45 E167 V168 E169 R174 V175 L189 | L22-I171 HydrophobicContact CB-CD1 4.4Å; L22-I171 HydrophobicContact CD2-CD1 3.95Å; L22-I171 HydrophobicContact CG-CD1 4.08Å; Q23-I171 HydrophobicContact CB-CG1 4.29Å; V26-I171 HydrophobicContact CB-CG2 4.32Å; V26-I171 HydrophobicContact CG1-CG2 4.02Å; V26-I171 HydrophobicContact CG2-CD1 4.13Å; V26-I171 HydrophobicContact CG2-CG1 4.2Å; V26-I171 HydrophobicContact CG2-CG2 4.17Å; M45-I171 HydrophobicContact SD-CB 4.49Å; M45-I171 HydrophobicContact SD-CD1 4.03Å; M45-I171 HydrophobicContact SD-CG2 4.14Å; E167-I171 WeakPolarHBondContact O-CD1 3.17Å; E167-I171 VanDerWaalsContact O-CG1 3.24Å; E167-I171 WeakPolarHBondContact O-CG1 3.41Å; E167-I171 PolarHBondContact O-N 3.04Å; V168-I171 PolarHBondContact O-N 3.23Å; E169-I171 PolarHBondContact O-N 3.38Å; I171-R174 PolarHBondContact O-N 2.72Å; I171-V175 HydrophobicContact CG2-CG2 4.46Å; I171-V175 WeakPolarHBondContact O-CG2 3.43Å; I171-V175 PolarHBondContact O-N 2.79Å; I171-L189 HydrophobicContact CG2-CD1 3.83Å; I171-L189 HydrophobicContact CG2-CD2 3.89Å |
| 172 | R | 96.3 | Very high | 94.5 | Very high | 55 Ų | 55 | 38.5 Ų | 38.5 | 21% | 0.208 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.7 | -57.2 | 176.3 | -168.5 | -168.2 | 66.9 | 76.4 | 6.3 | 111.4 | V168 E169 R174 V175 E176 L189 V199 | V168-R172 PolarHBondContact O-N 3.48Å; E169-R172 WeakPolarHBondContact O-CB 3.13Å; E169-R172 PolarHBondContact O-N 3Å; E169-R172 IonicContact OE1-CZ 3.63Å; E169-R172 IonicContact OE1-NE 3.23Å; E169-R172 IonicContact OE1-NH2 3.52Å; E169-R172 PolarHBondContact OE1-NH2 2.93Å; E169-R172 IonicContact OE2-CZ 2.73Å; E169-R172 IonicContact OE2-NE 3.08Å; E169-R172 PolarHBondContact OE2-NE 3.31Å; E169-R172 IonicContact OE2-NH2 3.56Å; E169-R172 PolarHBondContact OE2-NH2 2.59Å; R172-R174 VanDerWaalsContact C-N 3.26Å; R172-R174 PolarHBondContact O-N 3.35Å; R172-V175 PolarHBondContact O-N 3.12Å; R172-E176 WeakPolarHBondContact CG-OE1 3.39Å; R172-E176 IonicContact CZ-OE1 2.7Å; R172-E176 IonicContact CZ-OE2 3.57Å; R172-E176 IonicContact NH1-OE1 3.38Å; R172-E176 PolarHBondContact NH1-OE1 3.4Å; R172-E176 IonicContact NH1-OE2 2.76Å; R172-E176 PolarHBondContact NH1-OE2 3.16Å; R172-E176 IonicContact NH2-OE2 2.7Å; R172-E176 WeakPolarHBondContact O-CG 3.5Å; R172-E176 PolarHBondContact O-N 3.49Å; R172-L189 HydrophobicContact CB-CD2 4.07Å; R172-L189 HydrophobicContact CG-CD2 4.45Å; R172-V199 HydrophobicContact CB-CG2 4.49Å; R172-V199 HydrophobicContact CG-CG2 3.58Å |
| 173 | Q | 95.2 | Very high | 94.9 | Very high | 96 Ų | 96 | 38.1 Ų | 38.1 | 45% | 0.449 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58 | -36.3 | 178.4 | -69.2 | 175.7 | 8.8 | 0 | 0 | 112.5 | E169 A177 | E169-Q173 WeakPolarHBondContact O-CB 3.39Å; E169-Q173 VanDerWaalsContact O-CG 3.31Å; E169-Q173 WeakPolarHBondContact O-CG 3.47Å; E169-Q173 PolarHBondContact O-N 2.99Å; E169-Q173 PolarHBondContact OE1-NE2 2.7Å; Q173-A177 VanDerWaalsContact O-CB 3.29Å; Q173-A177 WeakPolarHBondContact O-CB 3.26Å; Q173-A177 PolarHBondContact O-N 3.02Å |
| 174 | R | 95.7 | Very high | 95.2 | Very high | 27 Ų | 27 | 38.1 Ų | 38.1 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72 | -43 | 179.5 | -172.5 | 53.5 | 53.8 | 132.9 | -4.9 | 113 | Q23 E27 R170 I171 R172 E176 A177 V178 | Q23-R174 HydrophobicContact CG-CB 3.98Å; Q23-R174 HydrophobicContact CG-CG 4.22Å; Q23-R174 VanDerWaalsContact NE2-CZ 3.31Å; E27-R174 HydrophobicContact CB-CG 4.06Å; E27-R174 VanDerWaalsContact CD-NH1 3.33Å; E27-R174 HydrophobicContact CG-CG 3.88Å; E27-R174 WeakPolarHBondContact OE1-CD 3.45Å; E27-R174 IonicContact OE1-CZ 2.68Å; E27-R174 IonicContact OE1-NE 3.52Å; E27-R174 IonicContact OE1-NH1 2.92Å; E27-R174 PolarHBondContact OE1-NH1 2.88Å; E27-R174 VanDerWaalsContact OE2-CD 3.31Å; E27-R174 WeakPolarHBondContact OE2-CD 3.42Å; E27-R174 VanDerWaalsContact OE2-CG 3.31Å; E27-R174 WeakPolarHBondContact OE2-CG 3.47Å; E27-R174 IonicContact OE2-CZ 2.76Å; E27-R174 IonicContact OE2-NE 2.94Å; E27-R174 IonicContact OE2-NH1 3.26Å; E27-R174 PolarHBondContact OE2-NH1 2.96Å; R170-R174 VanDerWaalsContact O-CB 3.25Å; R170-R174 WeakPolarHBondContact O-CB 3.38Å; R170-R174 PolarHBondContact O-N 2.85Å; I171-R174 PolarHBondContact O-N 2.72Å; R172-R174 VanDerWaalsContact C-N 3.26Å; R172-R174 PolarHBondContact O-N 3.35Å; R174-E176 VanDerWaalsContact C-N 3.3Å; R174-E176 PolarHBondContact O-N 3.25Å; R174-A177 PolarHBondContact O-N 3.11Å; R174-V178 WeakPolarHBondContact O-CG2 3.39Å; R174-V178 PolarHBondContact O-N 3.33Å |
| 175 | V | 97.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | V26 I171 R172 V178 S179 F187 V199 | V26-V175 HydrophobicContact CG1-CG2 4.35Å; I171-V175 HydrophobicContact CG2-CG2 4.46Å; I171-V175 WeakPolarHBondContact O-CG2 3.43Å; I171-V175 PolarHBondContact O-N 2.79Å; R172-V175 PolarHBondContact O-N 3.12Å; V175-V178 PolarHBondContact O-N 3.22Å; V175-S179 WeakPolarHBondContact O-CB 3.29Å; V175-S179 PolarHBondContact O-N 3.39Å; V175-F187 HydrophobicContact CG1-CB 4.07Å; V175-F187 HydrophobicContact CG1-CD1 4.29Å; V175-F187 HydrophobicContact CG1-CG 4.42Å; V175-V199 HydrophobicContact CG1-CG1 4.38Å |
| 176 | E | 96.9 | Very high | 96 | Very high | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -49.4 | 174.3 | -74.5 | 165.5 | -169.3 | 0 | 0 | 112.1 | R172 R174 V178 S179 L180 V199 L201 I214 | R172-E176 WeakPolarHBondContact CG-OE1 3.39Å; R172-E176 IonicContact CZ-OE1 2.7Å; R172-E176 IonicContact CZ-OE2 3.57Å; R172-E176 IonicContact NH1-OE1 3.38Å; R172-E176 PolarHBondContact NH1-OE1 3.4Å; R172-E176 IonicContact NH1-OE2 2.76Å; R172-E176 PolarHBondContact NH1-OE2 3.16Å; R172-E176 IonicContact NH2-OE2 2.7Å; R172-E176 WeakPolarHBondContact O-CG 3.5Å; R172-E176 PolarHBondContact O-N 3.49Å; R174-E176 VanDerWaalsContact C-N 3.3Å; R174-E176 PolarHBondContact O-N 3.25Å; E176-V178 VanDerWaalsContact C-N 3.33Å; E176-V178 PolarHBondContact O-N 2.63Å; E176-S179 PolarHBondContact O-N 2.88Å; E176-S179 PolarHBondContact O-OG 2.98Å; E176-L180 PolarHBondContact O-N 2.67Å; E176-V199 HydrophobicContact CG-CG1 4.39Å; E176-V199 HydrophobicContact CG-CG2 4.33Å; E176-L201 HydrophobicContact CG-CD1 4.38Å; E176-I214 HydrophobicContact CB-CD1 4.17Å; E176-I214 HydrophobicContact CB-CG2 4.1Å; E176-I214 HydrophobicContact CG-CD1 4.48Å; E176-I214 HydrophobicContact CG-CG1 4.32Å; E176-I214 HydrophobicContact CG-CG2 3.9Å |
| 177 | A | 96.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 28 Ų | 28 | 5% | 0.05 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -35.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q173 R174 Y251 Y253 L258 | Q173-A177 VanDerWaalsContact O-CB 3.29Å; Q173-A177 WeakPolarHBondContact O-CB 3.26Å; Q173-A177 PolarHBondContact O-N 3.02Å; R174-A177 PolarHBondContact O-N 3.11Å; A177-Y251 HydrophobicContact CB-CD1 4.05Å; A177-Y251 HydrophobicContact CB-CE1 3.85Å; A177-Y253 WeakPolarHBondContact O-CE1 3.35Å; A177-Y253 PolarHBondContact O-OH 3.27Å; A177-L258 HydrophobicContact CB-CD1 4.43Å; A177-L258 HydrophobicContact CB-CD2 3.65Å |
| 178 | V | 96.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 29.6 Ų | 29.6 | 7% | 0.073 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.9 | -40.8 | 171.9 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | V30 L31 I34 R174 V175 E176 L180 M181 H182 | V30-V178 HydrophobicContact CG1-CG1 4.29Å; L31-V178 HydrophobicContact CD2-CG1 4.05Å; L31-V178 HydrophobicContact CD2-CG2 4.31Å; I34-V178 HydrophobicContact CD1-CG1 3.51Å; R174-V178 WeakPolarHBondContact O-CG2 3.39Å; R174-V178 PolarHBondContact O-N 3.33Å; V175-V178 PolarHBondContact O-N 3.22Å; E176-V178 VanDerWaalsContact C-N 3.33Å; E176-V178 PolarHBondContact O-N 2.63Å; V178-L180 PolarHBondContact O-N 2.81Å; V178-L180 VanDerWaalsContact O-N 3.12Å; V178-M181 PolarHBondContact O-N 2.86Å; V178-H182 PolarHBondContact O-CD2 2.92Å |
| 179 | S | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.2 | -19.3 | -174.9 | 77.6 | 0 | 0 | 0 | 0 | 115.2 | V175 E176 H182 F187 L201 R210 | V175-S179 WeakPolarHBondContact O-CB 3.29Å; V175-S179 PolarHBondContact O-N 3.39Å; E176-S179 PolarHBondContact O-N 2.88Å; E176-S179 PolarHBondContact O-OG 2.98Å; S179-H182 CarbonylContact O-C 3.55Å; S179-H182 VanDerWaalsContact O-C 3.31Å; S179-H182 PolarHBondContact O-N 3.13Å; S179-F187 VanDerWaalsContact CB-CD2 3.45Å; S179-L201 WeakPolarHBondContact OG-CD1 3.39Å; S179-R210 WeakPolarHBondContact O-CG 3.49Å; S179-R210 PolarHBondContact O-NE 2.63Å; S179-R210 WeakPolarHBondContact OG-CD 3.41Å |
| 180 | L | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -40.7 | 178.4 | -79.1 | 167.3 | 0 | 0 | 0 | 113.4 | E176 V178 H182 T207 R210 F211 I214 Y251 Y253 I307 | E176-L180 PolarHBondContact O-N 2.67Å; V178-L180 PolarHBondContact O-N 2.81Å; V178-L180 VanDerWaalsContact O-N 3.12Å; L180-H182 VanDerWaalsContact C-N 3.33Å; L180-T207 HydrophobicContact CB-CG2 4.41Å; L180-T207 HydrophobicContact CD2-CG2 4.12Å; L180-T207 WeakPolarHBondContact O-CB 3.38Å; L180-T207 WeakPolarHBondContact O-CG2 3.4Å; L180-T207 PolarHBondContact O-OG1 2.87Å; L180-R210 HydrophobicContact CD2-CB 4.45Å; L180-R210 HydrophobicContact CD2-CG 3.92Å; L180-R210 HydrophobicContact CG-CG 4.4Å; L180-F211 HydrophobicContact CD2-CB 4.08Å; L180-F211 HydrophobicContact CD2-CD2 4.3Å; L180-I214 HydrophobicContact CD2-CD1 4.06Å; L180-I214 HydrophobicContact CG-CD1 4.07Å; L180-Y251 HydrophobicContact CD1-CD1 3.7Å; L180-Y251 HydrophobicContact CD1-CD2 3.84Å; L180-Y251 HydrophobicContact CD1-CE1 3.86Å; L180-Y251 HydrophobicContact CD1-CE2 3.98Å; L180-Y251 HydrophobicContact CD1-CG 3.69Å; L180-Y253 WeakPolarHBondContact CB-OH 3.49Å; L180-Y253 WeakPolarHBondContact CD1-OH 3.43Å; L180-I307 HydrophobicContact CD1-CG2 4.49Å; L180-I307 HydrophobicContact CD2-CD1 4.4Å |
| 181 | M | 96.4 | Very high | 96.9 | Very high | 24 Ų | 24 | 24.5 Ų | 24.5 | 12% | 0.118 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9 | 175 | -60.9 | -64.6 | 95.9 | 0 | 0 | 112.9 | V178 P183 T207 Y253 D256 I307 N309 | V178-M181 PolarHBondContact O-N 2.86Å; M181-P183 VanDerWaalsContact O-CD 3.26Å; M181-P183 WeakPolarHBondContact O-CD 3.42Å; M181-T207 HydrophobicContact CE-CG2 3.88Å; M181-Y253 HydrophobicContact CE-CD2 3.75Å; M181-Y253 HydrophobicContact CE-CE2 3.68Å; M181-Y253 HydrophobicContact CE-CG 4.33Å; M181-Y253 HydrophobicContact CG-CD1 3.34Å; M181-Y253 HydrophobicContact CG-CD2 3.97Å; M181-Y253 HydrophobicContact CG-CE1 3.51Å; M181-Y253 HydrophobicContact CG-CE2 4.13Å; M181-Y253 HydrophobicContact CG-CG 3.6Å; M181-Y253 HydrophobicContact SD-CD1 4.1Å; M181-Y253 HydrophobicContact SD-CD2 3.7Å; M181-Y253 HydrophobicContact SD-CE2 4.14Å; M181-Y253 HydrophobicContact SD-CG 3.7Å; M181-D256 HydrophobicContact CB-CB 4.03Å; M181-D256 HydrophobicContact CG-CB 4.25Å; M181-I307 HydrophobicContact CE-CG2 4.14Å; M181-N309 HydrophobicContact SD-CB 3.86Å |
| 182 | H | 96.8 | Very high | 96.8 | Very high | 25 Ų | 25 | 27 Ų | 27 | 12% | 0.116 | 14% | 0.143 | C | C | . | . | trans | -120.4 | 61 | -177 | -65.4 | -74.6 | 0 | 0 | 0 | 112.2 | I34 Y90 V178 S179 L180 S184 V185 F187 R210 | I34-H182 VanDerWaalsContact CG2-CE1 3.49Å; I34-H182 WeakPolarHBondContact CG2-CE1 3.3Å; Y90-H182 AromaticContact CZ-NE2 3.72Å; Y90-H182 PolarHBondContact OH-NE2 3.25Å; V178-H182 PolarHBondContact O-CD2 2.92Å; S179-H182 CarbonylContact O-C 3.55Å; S179-H182 VanDerWaalsContact O-C 3.31Å; S179-H182 PolarHBondContact O-N 3.13Å; L180-H182 VanDerWaalsContact C-N 3.33Å; H182-S184 VanDerWaalsContact C-N 3.28Å; H182-S184 PolarHBondContact O-N 3.49Å; H182-V185 HydrophobicContact CB-CB 4.33Å; H182-V185 HydrophobicContact CB-CG2 4.1Å; H182-V185 PolarHBondContact O-N 2.99Å; H182-F187 HydrophobicContact CB-CE2 4Å; H182-F187 HydrophobicContact CB-CZ 3.92Å; H182-R210 PolarHBondContact O-NH2 3.04Å | ||
| 183 | P | 96.8 | Very high | 96.4 | Very high | 22 Ų | 22 | 26.7 Ų | 26.7 | 14% | 0.143 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -31.4 | 180 | 26.3 | -34.1 | 0 | 0 | 0 | 113 | M181 V185 A204 R210 | M181-P183 VanDerWaalsContact O-CD 3.26Å; M181-P183 WeakPolarHBondContact O-CD 3.42Å; P183-V185 PolarHBondContact O-N 3.26Å; P183-A204 HydrophobicContact CB-CB 3.93Å; P183-A204 PolarHBondContact O-N 3.13Å; P183-R210 PolarHBondContact O-NH2 2.84Å |
| 184 | S | 97 | Very high | 96.1 | Very high | 79 Ų | 79 | 26.8 Ų | 26.8 | 55% | 0.552 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.2 | 179.6 | 57.5 | 0 | 0 | 0 | 0 | 114.8 | H182 K203 | H182-S184 VanDerWaalsContact C-N 3.28Å; H182-S184 PolarHBondContact O-N 3.49Å; S184-K203 VanDerWaalsContact O-CD 3.26Å; S184-K203 WeakPolarHBondContact O-CD 3.22Å; S184-K203 WeakPolarHBondContact O-CE 3.24Å; S184-K203 WeakPolarHBondContact O-CG 3.3Å |
| 185 | V | 98.1 | Very high | 95.8 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -102.1 | 138.6 | 179.4 | -174.9 | 0 | 0 | 0 | 0 | 109.3 | A38 T39 V41 H182 P183 F187 R210 | A38-V185 WeakPolarHBondContact O-CG2 3.5Å; T39-V185 WeakPolarHBondContact O-CA 3.38Å; V41-V185 HydrophobicContact CG2-CG1 4.03Å; H182-V185 HydrophobicContact CB-CB 4.33Å; H182-V185 HydrophobicContact CB-CG2 4.1Å; H182-V185 PolarHBondContact O-N 2.99Å; P183-V185 PolarHBondContact O-N 3.26Å; V185-F187 HydrophobicContact CB-CD2 4.44Å; V185-F187 HydrophobicContact CB-CE2 3.67Å; V185-F187 HydrophobicContact CB-CZ 3.84Å; V185-F187 HydrophobicContact CG1-CD2 4.34Å; V185-F187 HydrophobicContact CG1-CE1 4.1Å; V185-F187 HydrophobicContact CG1-CE2 3.8Å; V185-F187 HydrophobicContact CG1-CZ 3.66Å; V185-R210 PolarHBondContact O-NH2 3.1Å |
| 186 | S | 98.2 | Very high | 95.5 | Very high | 25 Ų | 25 | 29.3 Ų | 29.3 | 18% | 0.175 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132.4 | 168.6 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | T39 C40 V41 L201 | T39-S186 PolarHBondContact O-N 3.08Å; T39-S186 PolarHBondContact O-OG 2.95Å; C40-S186 CarbonylContact C-O 3.59Å; C40-S186 WeakPolarHBondContact CA-O 3.37Å; C40-S186 WeakPolarHBondContact CA-OG 3.3Å; C40-S186 WeakPolarHBondContact CB-OG 3.17Å; C40-S186 PolarHBondContact SG-OG 3.01Å; V41-S186 PolarHBondContact N-O 3.35Å; S186-L201 CarbonylContact C-O 3.57Å; S186-L201 WeakPolarHBondContact CA-O 3.4Å; S186-L201 WeakPolarHBondContact CB-O 3.33Å |
| 187 | F | 98.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.1 | 180 | -62.9 | -90.6 | 0 | 0 | 0 | 111.1 | V30 I34 V41 V175 S179 H182 V185 L201 | V30-F187 HydrophobicContact CG1-CD1 4.33Å; V30-F187 HydrophobicContact CG1-CE1 3.81Å; I34-F187 HydrophobicContact CD1-CE1 4.2Å; I34-F187 HydrophobicContact CD1-CZ 4.09Å; V41-F187 HydrophobicContact CB-CD1 4.15Å; V41-F187 HydrophobicContact CB-CE1 4.33Å; V41-F187 HydrophobicContact CG2-CE1 4.46Å; V41-F187 WeakPolarHBondContact O-CA 3.2Å; V175-F187 HydrophobicContact CG1-CB 4.07Å; V175-F187 HydrophobicContact CG1-CD1 4.29Å; V175-F187 HydrophobicContact CG1-CG 4.42Å; S179-F187 VanDerWaalsContact CB-CD2 3.45Å; H182-F187 HydrophobicContact CB-CE2 4Å; H182-F187 HydrophobicContact CB-CZ 3.92Å; V185-F187 HydrophobicContact CB-CD2 4.44Å; V185-F187 HydrophobicContact CB-CE2 3.67Å; V185-F187 HydrophobicContact CB-CZ 3.84Å; V185-F187 HydrophobicContact CG1-CD2 4.34Å; V185-F187 HydrophobicContact CG1-CE1 4.1Å; V185-F187 HydrophobicContact CG1-CE2 3.8Å; V185-F187 HydrophobicContact CG1-CZ 3.66Å; F187-L201 HydrophobicContact CB-CB 4.34Å; F187-L201 PolarHBondContact N-O 3.39Å; F187-L201 PolarHBondContact O-N 2.86Å |
| 188 | T | 98.2 | Very high | 95.3 | Very high | 45 Ų | 45 | 35.8 Ų | 35.8 | 28% | 0.276 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143.6 | 168.4 | 49.1 | 0 | 0 | 0 | 0 | 111 | V41 G42 V43 M197 V199 Q200 | V41-T188 PolarHBondContact O-N 3.21Å; G42-T188 VanDerWaalsContact CA-OG1 3.28Å; G42-T188 WeakPolarHBondContact CA-OG1 3.3Å; V43-T188 PolarHBondContact N-O 3.31Å; T188-M197 HydrophobicContact CG2-SD 4.42Å; T188-V199 CarbonylContact C-O 3.58Å; T188-V199 VanDerWaalsContact CA-O 3.28Å; T188-V199 WeakPolarHBondContact CA-O 3.37Å; T188-Q200 HydrophobicContact CG2-CG 4.28Å |
| 189 | L | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 117.3 | 172.5 | -180 | 64.8 | 0 | 0 | 0 | 108.5 | V43 M45 I171 R172 M198 V199 | V43-L189 HydrophobicContact CB-CD1 3.64Å; V43-L189 HydrophobicContact CG1-CD1 3.48Å; V43-L189 VanDerWaalsContact CG1-CD1 3.48Å; V43-L189 CarbonylContact O-C 3.59Å; V43-L189 WeakPolarHBondContact O-CA 3.24Å; M45-L189 HydrophobicContact CE-CD1 3.8Å; M45-L189 HydrophobicContact CE-CD2 3.82Å; M45-L189 HydrophobicContact CE-CG 3.78Å; M45-L189 HydrophobicContact CG-CD1 4.43Å; M45-L189 HydrophobicContact SD-CD1 3.9Å; I171-L189 HydrophobicContact CG2-CD1 3.83Å; I171-L189 HydrophobicContact CG2-CD2 3.89Å; R172-L189 HydrophobicContact CB-CD2 4.07Å; R172-L189 HydrophobicContact CG-CD2 4.45Å; L189-M198 HydrophobicContact CD2-CB 4.23Å; L189-M198 HydrophobicContact CG-CB 4.28Å; L189-M198 PolarHBondContact O-N 3.31Å; L189-V199 HydrophobicContact CB-CB 3.67Å; L189-V199 HydrophobicContact CB-CG2 3.79Å; L189-V199 HydrophobicContact CD2-CG2 3.94Å; L189-V199 HydrophobicContact CG-CG2 4.5Å; L189-V199 PolarHBondContact N-O 3.5Å; L189-V199 PolarHBondContact O-N 2.89Å |
| 190 | K | 97.1 | Very high | 95.3 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.6 | 178.6 | -165.5 | -164.1 | 170.9 | -144.9 | 0 | 111.4 | V43 R44 M45 D192 G195 A196 M197 | V43-K190 PolarHBondContact O-N 3.32Å; R44-K190 WeakPolarHBondContact CA-O 3.46Å; R44-K190 HydrophobicContact CG-CB 4.48Å; M45-K190 PolarHBondContact N-O 3.23Å; K190-D192 WeakPolarHBondContact CE-OD1 3.45Å; K190-D192 IonicContact NZ-OD1 3.36Å; K190-D192 PolarHBondContact NZ-OD1 3.37Å; K190-G195 WeakPolarHBondContact CE-O 3.46Å; K190-A196 WeakPolarHBondContact CG-O 3.36Å; K190-M197 HydrophobicContact CB-CE 4.41Å; K190-M197 HydrophobicContact CB-SD 4.17Å; K190-M197 HydrophobicContact CG-CE 4.47Å |
| 191 | N | 94.6 | Very high | 95.3 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 10% | 0.096 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 120 | 163.6 | -176.3 | -40.5 | 0 | 0 | 0 | 108.5 | M45 C193 T194 G195 A196 M198 | M45-N191 WeakPolarHBondContact O-CA 3.34Å; N191-C193 WeakPolarHBondContact OD1-CA 3.32Å; N191-C193 WeakPolarHBondContact OD1-CB 3.34Å; N191-C193 PolarHBondContact OD1-N 3.17Å; N191-T194 WeakPolarHBondContact CB-OG1 3.34Å; N191-T194 VanDerWaalsContact CG-OG1 3.26Å; N191-T194 PolarHBondContact OD1-N 2.86Å; N191-T194 PolarHBondContact OD1-OG1 3.19Å; N191-G195 CarbonylContact O-C 3.59Å; N191-G195 VanDerWaalsContact O-C 3.25Å; N191-G195 WeakPolarHBondContact O-CA 3.41Å; N191-G195 PolarHBondContact O-N 2.88Å; N191-A196 PolarHBondContact N-O 3.17Å; N191-A196 PolarHBondContact O-N 2.86Å; N191-M198 HydrophobicContact CB-CG 4.33Å; N191-M198 HydrophobicContact CB-SD 3.95Å |
| 192 | D | 93 | Very high | 95.4 | Very high | 53 Ų | 53 | 44.7 Ų | 44.7 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -18.2 | -178.8 | -91.3 | -30.9 | 0 | 0 | 0 | 113.8 | R44 M45 K190 | R44-D192 IonicContact CZ-OD1 3.37Å; R44-D192 IonicContact CZ-OD2 3.73Å; R44-D192 VanDerWaalsContact CZ-OD2 3.26Å; R44-D192 IonicContact NE-OD1 2.94Å; R44-D192 IonicContact NE-OD2 2.72Å; R44-D192 PolarHBondContact NE-OD2 2.76Å; R44-D192 IonicContact NH2-OD1 2.78Å; R44-D192 PolarHBondContact NH2-OD1 2.88Å; R44-D192 IonicContact NH2-OD2 2.67Å; R44-D192 PolarHBondContact NH2-OD2 3Å; M45-D192 PolarHBondContact O-N 2.86Å; K190-D192 WeakPolarHBondContact CE-OD1 3.45Å; K190-D192 IonicContact NZ-OD1 3.36Å; K190-D192 PolarHBondContact NZ-OD1 3.37Å |
| 193 | C | 89.4 | Confident | 95.4 | Very high | 49 Ų | 49 | 49 Ų | 49 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -48.4 | 171.7 | -41.4 | 0 | 0 | 0 | 0 | 110.7 | D46 M47 N191 | D46-C193 VanDerWaalsContact CA-SG 3.52Å; D46-C193 PolarHBondContact OD1-SG 3.1Å; M47-C193 PolarHBondContact N-SG 3.2Å; N191-C193 WeakPolarHBondContact OD1-CA 3.32Å; N191-C193 WeakPolarHBondContact OD1-CB 3.34Å; N191-C193 PolarHBondContact OD1-N 3.17Å |
| 194 | T | 88.9 | Confident | 95.4 | Very high | 99 Ų | 99 | 48.7 Ų | 48.7 | 61% | 0.607 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -11.9 | -178.5 | 64.9 | 0 | 0 | 0 | 0 | 113.4 | N191 A196 | N191-T194 WeakPolarHBondContact CB-OG1 3.34Å; N191-T194 VanDerWaalsContact CG-OG1 3.26Å; N191-T194 PolarHBondContact OD1-N 2.86Å; N191-T194 PolarHBondContact OD1-OG1 3.19Å; T194-A196 PolarHBondContact O-N 3.42Å; T194-A196 WeakPolarHBondContact OG1-CB 3.33Å; T194-A196 PolarHBondContact OG1-N 2.95Å |
| 195 | G | 89.3 | Confident | 95.3 | Very high | 40 Ų | 40 | 55 Ų | 55 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | trans | 72.5 | -5.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | K190 N191 | K190-G195 WeakPolarHBondContact CE-O 3.46Å; N191-G195 CarbonylContact O-C 3.59Å; N191-G195 VanDerWaalsContact O-C 3.25Å; N191-G195 WeakPolarHBondContact O-CA 3.41Å; N191-G195 PolarHBondContact O-N 2.88Å | ||
| 196 | A | 91.3 | Very high | 95.1 | Very high | 44 Ų | 44 | 57.2 Ų | 57.2 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | trans | -69.7 | 135.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K190 N191 T194 | K190-A196 WeakPolarHBondContact CG-O 3.36Å; N191-A196 PolarHBondContact N-O 3.17Å; N191-A196 PolarHBondContact O-N 2.86Å; T194-A196 PolarHBondContact O-N 3.42Å; T194-A196 WeakPolarHBondContact OG1-CB 3.33Å; T194-A196 PolarHBondContact OG1-N 2.95Å | ||
| 197 | M | 94.9 | Very high | 95 | Very high | 95 Ų | 95 | 57.2 Ų | 57.2 | 47% | 0.468 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 117.4 | 165.4 | -168.1 | 64.2 | 70 | 0 | 0 | 108.4 | T188 K190 Q200 | T188-M197 HydrophobicContact CG2-SD 4.42Å; K190-M197 HydrophobicContact CB-CE 4.41Å; K190-M197 HydrophobicContact CB-SD 4.17Å; K190-M197 HydrophobicContact CG-CE 4.47Å; M197-Q200 HydrophobicContact CG-CB 3.87Å |
| 198 | M | 94.3 | Very high | 94.9 | Very high | 59 Ų | 59 | 59.9 Ų | 59.9 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -29.2 | -173.7 | -62.6 | -162.9 | 62.6 | 0 | 0 | 113.3 | M45 V168 L189 N191 | M45-M198 HydrophobicContact CE-SD 3.54Å; M45-M198 VanDerWaalsContact CE-SD 3.54Å; V168-M198 HydrophobicContact CG1-CE 3.34Å; V168-M198 HydrophobicContact CG1-SD 3.51Å; V168-M198 VanDerWaalsContact CG1-SD 3.51Å; L189-M198 HydrophobicContact CD2-CB 4.23Å; L189-M198 HydrophobicContact CG-CB 4.28Å; L189-M198 PolarHBondContact O-N 3.31Å; N191-M198 HydrophobicContact CB-CG 4.33Å; N191-M198 HydrophobicContact CB-SD 3.95Å |
| 199 | V | 96.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 130.9 | 170.5 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | R172 V175 E176 T188 L189 L201 | R172-V199 HydrophobicContact CB-CG2 4.49Å; R172-V199 HydrophobicContact CG-CG2 3.58Å; V175-V199 HydrophobicContact CG1-CG1 4.38Å; E176-V199 HydrophobicContact CG-CG1 4.39Å; E176-V199 HydrophobicContact CG-CG2 4.33Å; T188-V199 CarbonylContact C-O 3.58Å; T188-V199 VanDerWaalsContact CA-O 3.28Å; T188-V199 WeakPolarHBondContact CA-O 3.37Å; L189-V199 HydrophobicContact CB-CB 3.67Å; L189-V199 HydrophobicContact CB-CG2 3.79Å; L189-V199 HydrophobicContact CD2-CG2 3.94Å; L189-V199 HydrophobicContact CG-CG2 4.5Å; L189-V199 PolarHBondContact N-O 3.5Å; L189-V199 PolarHBondContact O-N 2.89Å; V199-L201 HydrophobicContact CG1-CB 4.44Å; V199-L201 HydrophobicContact CG1-CD1 3.48Å; V199-L201 VanDerWaalsContact CG1-CD1 3.48Å; V199-L201 HydrophobicContact CG1-CG 3.56Å |
| 200 | Q | 97.3 | Very high | 94.8 | Very high | 139 Ų | 139 | 61.3 Ų | 61.3 | 65% | 0.65 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 91.1 | 171.2 | -176.4 | 170.1 | -6.5 | 0 | 0 | 109.2 | T188 M197 P202 | T188-Q200 HydrophobicContact CG2-CG 4.28Å; M197-Q200 HydrophobicContact CG-CB 3.87Å; Q200-P202 WeakPolarHBondContact O-CD 3.47Å |
| 201 | L | 97.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 96 | -174.7 | -65.9 | 172.1 | 0 | 0 | 0 | 108.8 | E176 S179 S186 F187 V199 Q213 I214 | E176-L201 HydrophobicContact CG-CD1 4.38Å; S179-L201 WeakPolarHBondContact OG-CD1 3.39Å; S186-L201 CarbonylContact C-O 3.57Å; S186-L201 WeakPolarHBondContact CA-O 3.4Å; S186-L201 WeakPolarHBondContact CB-O 3.33Å; F187-L201 HydrophobicContact CB-CB 4.34Å; F187-L201 PolarHBondContact N-O 3.39Å; F187-L201 PolarHBondContact O-N 2.86Å; V199-L201 HydrophobicContact CG1-CB 4.44Å; V199-L201 HydrophobicContact CG1-CD1 3.48Å; V199-L201 VanDerWaalsContact CG1-CD1 3.48Å; V199-L201 HydrophobicContact CG1-CG 3.56Å; L201-Q213 HydrophobicContact CD2-CB 3.64Å; L201-I214 HydrophobicContact CD1-CD1 4.4Å; L201-I214 HydrophobicContact CD1-CG1 4.05Å; L201-I214 HydrophobicContact CD2-CG1 3.8Å |
| 202 | P | 97.4 | Very high | 94.8 | Very high | 72 Ų | 72 | 59.7 Ų | 59.7 | 47% | 0.468 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 169.8 | 173.1 | 30.4 | -35 | 0 | 0 | 0 | 110.3 | Q200 A204 R210 Q213 | Q200-P202 WeakPolarHBondContact O-CD 3.47Å; P202-A204 PolarHBondContact O-N 2.91Å; P202-R210 PolarHBondContact O-NH1 3.38Å; P202-Q213 PolarHBondContact O-OE1 3.15Å |
| 203 | K | 97.4 | Very high | 95 | Very high | 114 Ų | 114 | 60.8 Ų | 60.8 | 50% | 0.496 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 131.4 | 178 | -63.8 | -176.6 | 175.8 | -178.8 | 0 | 110.6 | T39 S184 | T39-K203 VanDerWaalsContact CB-NZ 3.31Å; T39-K203 WeakPolarHBondContact O-CE 3.48Å; T39-K203 PolarHBondContact OG1-NZ 3.35Å; T39-K203 VanDerWaalsContact OG1-NZ 3.16Å; S184-K203 VanDerWaalsContact O-CD 3.26Å; S184-K203 WeakPolarHBondContact O-CD 3.22Å; S184-K203 WeakPolarHBondContact O-CE 3.24Å; S184-K203 WeakPolarHBondContact O-CG 3.3Å |
| 204 | A | 96.1 | Very high | 95.2 | Very high | 16 Ų | 16 | 59.7 Ų | 59.7 | 13% | 0.132 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 163.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P183 P202 H209 R210 | P183-A204 HydrophobicContact CB-CB 3.93Å; P183-A204 PolarHBondContact O-N 3.13Å; P202-A204 PolarHBondContact O-N 2.91Å; A204-H209 HydrophobicContact CB-CB 4.25Å; A204-R210 HydrophobicContact CB-CB 4.09Å |
| 205 | R | 94.4 | Very high | 95.4 | Very high | 213 Ų | 213 | 56.3 Ų | 56.3 | 80% | 0.804 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -75 | -39.1 | 175.9 | -68.5 | 178.5 | 174.9 | 173.8 | -2.5 | 112 | ||
| 206 | D | 95.3 | Very high | 95.5 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -159.3 | 178.4 | -171 | 51.6 | 57.8 | 0 | 0 | 0 | 109.7 | Y208 H209 R210 | D206-Y208 VanDerWaalsContact C-N 3.31Å; D206-Y208 PolarHBondContact O-N 2.85Å; D206-Y208 WeakPolarHBondContact OD1-CA 3.36Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.39Å; D206-Y208 PolarHBondContact OD1-N 3.39Å; D206-H209 IonicContact OD1-CE1 2.89Å; D206-H209 IonicContact OD1-CG 2.82Å; D206-H209 PolarHBondContact OD1-N 3.08Å; D206-H209 IonicContact OD1-ND1 3.52Å; D206-H209 PolarHBondContact OD1-ND1 3.24Å; D206-H209 IonicContact OD2-CE1 2.86Å; D206-H209 PolarHBondContact OD2-CE1 2.79Å; D206-H209 IonicContact OD2-CG 3.57Å; D206-H209 IonicContact OD2-ND1 3.57Å; D206-H209 PolarHBondContact OD2-ND1 3.38Å; D206-R210 PolarHBondContact O-N 3.38Å |
| 207 | T | 96.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 16% | 0.16 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.6 | -28.7 | 179.1 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | L180 M181 R210 F211 Y238 I307 | L180-T207 HydrophobicContact CB-CG2 4.41Å; L180-T207 HydrophobicContact CD2-CG2 4.12Å; L180-T207 WeakPolarHBondContact O-CB 3.38Å; L180-T207 WeakPolarHBondContact O-CG2 3.4Å; L180-T207 PolarHBondContact O-OG1 2.87Å; M181-T207 HydrophobicContact CE-CG2 3.88Å; T207-R210 PolarHBondContact O-N 2.89Å; T207-F211 WeakPolarHBondContact O-CB 3.32Å; T207-F211 PolarHBondContact O-N 3.25Å; T207-Y238 HydrophobicContact CG2-CD2 4.46Å; T207-Y238 HydrophobicContact CG2-CE2 4.38Å; T207-I307 HydrophobicContact CG2-CD1 4.47Å; T207-I307 HydrophobicContact CG2-CG2 3.82Å |
| 208 | Y | 96.1 | Very high | 95.2 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.3 | -51.2 | 176.1 | 178.3 | -88 | 0 | 0 | 0 | 111.1 | D206 R210 F211 V212 A220 L223 Y238 | D206-Y208 VanDerWaalsContact C-N 3.31Å; D206-Y208 PolarHBondContact O-N 2.85Å; D206-Y208 WeakPolarHBondContact OD1-CA 3.36Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.39Å; D206-Y208 PolarHBondContact OD1-N 3.39Å; Y208-R210 PolarHBondContact O-N 3.19Å; Y208-F211 WeakPolarHBondContact O-CA 3.49Å; Y208-F211 WeakPolarHBondContact O-CB 3.4Å; Y208-F211 PolarHBondContact O-N 2.89Å; Y208-V212 HydrophobicContact CD1-CG2 4.12Å; Y208-V212 HydrophobicContact CE1-CG2 3.8Å; Y208-V212 WeakPolarHBondContact O-CG2 3.46Å; Y208-V212 PolarHBondContact O-N 2.97Å; Y208-A220 HydrophobicContact CE1-CB 4.37Å; Y208-A220 HydrophobicContact CE2-CB 3.92Å; Y208-A220 VanDerWaalsContact CE2-O 3.29Å; Y208-A220 WeakPolarHBondContact CE2-O 3.43Å; Y208-A220 PolarHBondContact OH-O 3.42Å; Y208-L223 HydrophobicContact CD2-CD1 4.39Å; Y208-L223 HydrophobicContact CE2-CB 4.46Å; Y208-Y238 HydrophobicContact CD2-CD1 4.35Å; Y208-Y238 HydrophobicContact CD2-CE1 4.16Å |
| 209 | H | 95.9 | Very high | 95 | Very high | 74 Ų | 74 | 60.4 Ų | 60.4 | 34% | 0.343 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -30.1 | 175.6 | -70.4 | 83.5 | 0 | 0 | 0 | 111.9 | A204 D206 Q213 | A204-H209 HydrophobicContact CB-CB 4.25Å; D206-H209 IonicContact OD1-CE1 2.89Å; D206-H209 IonicContact OD1-CG 2.82Å; D206-H209 PolarHBondContact OD1-N 3.08Å; D206-H209 IonicContact OD1-ND1 3.52Å; D206-H209 PolarHBondContact OD1-ND1 3.24Å; D206-H209 IonicContact OD2-CE1 2.86Å; D206-H209 PolarHBondContact OD2-CE1 2.79Å; D206-H209 IonicContact OD2-CG 3.57Å; D206-H209 IonicContact OD2-ND1 3.57Å; D206-H209 PolarHBondContact OD2-ND1 3.38Å; H209-Q213 WeakPolarHBondContact O-CG 3.42Å; H209-Q213 PolarHBondContact O-N 2.85Å |
| 210 | R | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -46.3 | 168.9 | 175.5 | 67.8 | 80.1 | -138.7 | 4.3 | 111.8 | S179 L180 H182 P183 V185 P202 A204 D206 T207 Y208 V212 Q213 I214 | S179-R210 WeakPolarHBondContact O-CG 3.49Å; S179-R210 PolarHBondContact O-NE 2.63Å; S179-R210 WeakPolarHBondContact OG-CD 3.41Å; L180-R210 HydrophobicContact CD2-CB 4.45Å; L180-R210 HydrophobicContact CD2-CG 3.92Å; L180-R210 HydrophobicContact CG-CG 4.4Å; H182-R210 PolarHBondContact O-NH2 3.04Å; P183-R210 PolarHBondContact O-NH2 2.84Å; V185-R210 PolarHBondContact O-NH2 3.1Å; P202-R210 PolarHBondContact O-NH1 3.38Å; A204-R210 HydrophobicContact CB-CB 4.09Å; D206-R210 PolarHBondContact O-N 3.38Å; T207-R210 PolarHBondContact O-N 2.89Å; Y208-R210 PolarHBondContact O-N 3.19Å; R210-V212 VanDerWaalsContact C-N 3.32Å; R210-V212 PolarHBondContact O-N 2.86Å; R210-Q213 WeakPolarHBondContact O-CB 3.3Å; R210-Q213 PolarHBondContact O-N 3.33Å; R210-Q213 VanDerWaalsContact O-N 3.09Å; R210-I214 HydrophobicContact CG-CD1 3.9Å; R210-I214 WeakPolarHBondContact O-CG1 3.47Å; R210-I214 PolarHBondContact O-N 3.06Å |
| 211 | F | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 177.8 | -174.1 | -91.4 | 0 | 0 | 0 | 111.7 | L180 T207 Y208 Q213 I214 H215 R219 A220 L223 Y251 I307 | L180-F211 HydrophobicContact CD2-CB 4.08Å; L180-F211 HydrophobicContact CD2-CD2 4.3Å; T207-F211 WeakPolarHBondContact O-CB 3.32Å; T207-F211 PolarHBondContact O-N 3.25Å; Y208-F211 WeakPolarHBondContact O-CA 3.49Å; Y208-F211 WeakPolarHBondContact O-CB 3.4Å; Y208-F211 PolarHBondContact O-N 2.89Å; F211-Q213 VanDerWaalsContact C-N 3.27Å; F211-Q213 PolarHBondContact O-N 3.07Å; F211-I214 PolarHBondContact O-N 2.58Å; F211-I214 VanDerWaalsContact O-N 3.12Å; F211-H215 HydrophobicContact CD1-CB 4.16Å; F211-H215 AromaticContact CD2-CD2 3.52Å; F211-H215 HydrophobicContact CE1-CB 3.79Å; F211-H215 HydrophobicContact CE2-CB 4.2Å; F211-H215 AromaticContact CE2-CD2 3.25Å; F211-H215 WeakPolarHBondContact CE2-CD2 3.17Å; F211-H215 AromaticContact CE2-CG 3.95Å; F211-H215 HydrophobicContact CZ-CB 3.82Å; F211-H215 AromaticContact CZ-CD2 3.75Å; F211-H215 AromaticContact CZ-CG 3.97Å; F211-H215 PolarHBondContact O-N 3.07Å; F211-R219 HydrophobicContact CE1-CB 4.07Å; F211-A220 HydrophobicContact CD1-CB 3.96Å; F211-A220 HydrophobicContact CE1-CB 4.44Å; F211-L223 HydrophobicContact CD1-CD1 3.66Å; F211-L223 HydrophobicContact CE1-CD1 3.82Å; F211-L223 HydrophobicContact CE1-CG 4.38Å; F211-L223 HydrophobicContact CG-CD1 4.09Å; F211-L223 HydrophobicContact CZ-CD1 4.37Å; F211-Y251 HydrophobicContact CE2-CE2 4.39Å; F211-I307 HydrophobicContact CB-CD1 3.94Å; F211-I307 HydrophobicContact CD2-CD1 3.34Å; F211-I307 HydrophobicContact CD2-CG1 4.17Å; F211-I307 HydrophobicContact CE2-CD1 3.95Å; F211-I307 HydrophobicContact CE2-CG1 4.39Å; F211-I307 HydrophobicContact CG-CD1 3.76Å |
| 212 | V | 96.3 | Very high | 94.3 | Very high | 39 Ų | 39 | 62.9 Ų | 62.9 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.5 | -41.5 | 171.6 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | Y208 R210 I214 N216 L217 A220 | Y208-V212 HydrophobicContact CD1-CG2 4.12Å; Y208-V212 HydrophobicContact CE1-CG2 3.8Å; Y208-V212 WeakPolarHBondContact O-CG2 3.46Å; Y208-V212 PolarHBondContact O-N 2.97Å; R210-V212 VanDerWaalsContact C-N 3.32Å; R210-V212 PolarHBondContact O-N 2.86Å; V212-I214 PolarHBondContact O-N 2.92Å; V212-N216 WeakPolarHBondContact O-CA 3.43Å; V212-N216 PolarHBondContact O-N 2.99Å; V212-L217 HydrophobicContact CG1-CB 4.31Å; V212-L217 HydrophobicContact CG1-CD1 4.49Å; V212-L217 HydrophobicContact CG2-CD1 4.24Å; V212-A220 HydrophobicContact CB-CB 4.44Å; V212-A220 HydrophobicContact CG2-CB 3.37Å |
| 213 | Q | 95.4 | Very high | 94.1 | Very high | 75 Ų | 75 | 60 Ų | 60 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.3 | -29.2 | 179.1 | -69.1 | 169.2 | -3.5 | 0 | 0 | 113.7 | L201 P202 H209 R210 F211 | L201-Q213 HydrophobicContact CD2-CB 3.64Å; P202-Q213 PolarHBondContact O-OE1 3.15Å; H209-Q213 WeakPolarHBondContact O-CG 3.42Å; H209-Q213 PolarHBondContact O-N 2.85Å; R210-Q213 WeakPolarHBondContact O-CB 3.3Å; R210-Q213 PolarHBondContact O-N 3.33Å; R210-Q213 VanDerWaalsContact O-N 3.09Å; F211-Q213 VanDerWaalsContact C-N 3.27Å; F211-Q213 PolarHBondContact O-N 3.07Å |
| 214 | I | 95 | Very high | 93.9 | Very high | 26 Ų | 26 | 55 Ų | 55 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -89.6 | -40.4 | -178.6 | -57.2 | 163.9 | 0 | 0 | 0 | 111.2 | E176 L180 L201 R210 F211 V212 | E176-I214 HydrophobicContact CB-CD1 4.17Å; E176-I214 HydrophobicContact CB-CG2 4.1Å; E176-I214 HydrophobicContact CG-CD1 4.48Å; E176-I214 HydrophobicContact CG-CG1 4.32Å; E176-I214 HydrophobicContact CG-CG2 3.9Å; L180-I214 HydrophobicContact CD2-CD1 4.06Å; L180-I214 HydrophobicContact CG-CD1 4.07Å; L201-I214 HydrophobicContact CD1-CD1 4.4Å; L201-I214 HydrophobicContact CD1-CG1 4.05Å; L201-I214 HydrophobicContact CD2-CG1 3.8Å; R210-I214 HydrophobicContact CG-CD1 3.9Å; R210-I214 WeakPolarHBondContact O-CG1 3.47Å; R210-I214 PolarHBondContact O-N 3.06Å; F211-I214 PolarHBondContact O-N 2.58Å; F211-I214 VanDerWaalsContact O-N 3.12Å; V212-I214 PolarHBondContact O-N 2.92Å |
| 215 | H | 91.8 | Very high | 93.9 | Very high | 29 Ų | 29 | 59.9 Ų | 59.9 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -121.9 | 6.4 | -164.9 | -71 | -54.9 | 0 | 0 | 0 | 115.1 | F211 R219 | F211-H215 HydrophobicContact CD1-CB 4.16Å; F211-H215 AromaticContact CD2-CD2 3.52Å; F211-H215 HydrophobicContact CE1-CB 3.79Å; F211-H215 HydrophobicContact CE2-CB 4.2Å; F211-H215 AromaticContact CE2-CD2 3.25Å; F211-H215 WeakPolarHBondContact CE2-CD2 3.17Å; F211-H215 AromaticContact CE2-CG 3.95Å; F211-H215 HydrophobicContact CZ-CB 3.82Å; F211-H215 AromaticContact CZ-CD2 3.75Å; F211-H215 AromaticContact CZ-CG 3.97Å; F211-H215 PolarHBondContact O-N 3.07Å; H215-R219 HydrophobicContact CB-CB 4.46Å; H215-R219 PolarHBondContact CE1-NH1 3.31Å; H215-R219 WeakPolarHBondContact O-CB 3.22Å; H215-R219 WeakPolarHBondContact O-CD 3.43Å; H215-R219 WeakPolarHBondContact O-CG 3.35Å |
| 216 | N | 91.4 | Very high | 93.9 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 46% | 0.46 | 25% | 0.25 | S | C | . | . | trans | 69 | 164.1 | -175.4 | 87.2 | 39.3 | 0 | 0 | 0 | 115.4 | V212 A218 R219 A220 | V212-N216 WeakPolarHBondContact O-CA 3.43Å; V212-N216 PolarHBondContact O-N 2.99Å; N216-A218 PolarHBondContact OD1-N 2.67Å; N216-R219 PolarHBondContact OD1-N 2.95Å; N216-A220 PolarHBondContact O-N 3.04Å | ||
| 217 | L | 91.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 51.3 Ų | 51.3 | 47% | 0.471 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | -175.8 | -178.9 | 61.2 | 0 | 0 | 0 | 112.7 | V212 R219 A220 E221 | V212-L217 HydrophobicContact CG1-CB 4.31Å; V212-L217 HydrophobicContact CG1-CD1 4.49Å; V212-L217 HydrophobicContact CG2-CD1 4.24Å; L217-R219 PolarHBondContact O-N 2.96Å; L217-R219 VanDerWaalsContact O-N 3.14Å; L217-A220 CarbonylContact O-C 3.57Å; L217-A220 WeakPolarHBondContact O-CA 3.2Å; L217-A220 WeakPolarHBondContact O-CB 3.27Å; L217-A220 PolarHBondContact O-N 3.24Å; L217-E221 HydrophobicContact CD1-CG 3.9Å; L217-E221 HydrophobicContact CG-CG 4.03Å; L217-E221 WeakPolarHBondContact CG-OE1 3.41Å; L217-E221 WeakPolarHBondContact O-CG 3.42Å; L217-E221 PolarHBondContact O-N 3.16Å |
| 218 | A | 89.2 | Confident | 93.9 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.5 | -18.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N216 K222 | N216-A218 PolarHBondContact OD1-N 2.67Å; A218-K222 WeakPolarHBondContact O-CD 3.42Å; A218-K222 VanDerWaalsContact O-CE 3.28Å; A218-K222 WeakPolarHBondContact O-CE 3.47Å |
| 219 | R | 89.4 | Confident | 93.9 | Very high | 92 Ų | 92 | 53.9 Ų | 53.9 | 35% | 0.347 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -86.6 | -35 | 166 | -64.8 | -168.1 | -176 | 164.1 | 4.3 | 112.9 | F211 H215 N216 L217 K222 | F211-R219 HydrophobicContact CE1-CB 4.07Å; H215-R219 HydrophobicContact CB-CB 4.46Å; H215-R219 PolarHBondContact CE1-NH1 3.31Å; H215-R219 WeakPolarHBondContact O-CB 3.22Å; H215-R219 WeakPolarHBondContact O-CD 3.43Å; H215-R219 WeakPolarHBondContact O-CG 3.35Å; N216-R219 PolarHBondContact OD1-N 2.95Å; L217-R219 PolarHBondContact O-N 2.96Å; L217-R219 VanDerWaalsContact O-N 3.14Å; R219-K222 PolarHBondContact O-N 3.28Å |
| 220 | A | 91.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.2 | -39 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y208 F211 V212 N216 L217 K222 L223 | Y208-A220 HydrophobicContact CE1-CB 4.37Å; Y208-A220 HydrophobicContact CE2-CB 3.92Å; Y208-A220 VanDerWaalsContact CE2-O 3.29Å; Y208-A220 WeakPolarHBondContact CE2-O 3.43Å; Y208-A220 PolarHBondContact OH-O 3.42Å; F211-A220 HydrophobicContact CD1-CB 3.96Å; F211-A220 HydrophobicContact CE1-CB 4.44Å; V212-A220 HydrophobicContact CB-CB 4.44Å; V212-A220 HydrophobicContact CG2-CB 3.37Å; N216-A220 PolarHBondContact O-N 3.04Å; L217-A220 CarbonylContact O-C 3.57Å; L217-A220 WeakPolarHBondContact O-CA 3.2Å; L217-A220 WeakPolarHBondContact O-CB 3.27Å; L217-A220 PolarHBondContact O-N 3.24Å; A220-K222 PolarHBondContact O-N 2.98Å; A220-K222 VanDerWaalsContact O-N 3.11Å; A220-L223 WeakPolarHBondContact O-CB 3.15Å; A220-L223 WeakPolarHBondContact O-CG 3.36Å; A220-L223 PolarHBondContact O-N 3.46Å |
| 221 | E | 92.4 | Very high | 93.3 | Very high | 119 Ų | 119 | 57.9 Ų | 57.9 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -22.4 | 176.9 | -70.5 | 168.7 | 156.5 | 0 | 0 | 113.3 | L217 L223 | L217-E221 HydrophobicContact CD1-CG 3.9Å; L217-E221 HydrophobicContact CG-CG 4.03Å; L217-E221 WeakPolarHBondContact CG-OE1 3.41Å; L217-E221 WeakPolarHBondContact O-CG 3.42Å; L217-E221 PolarHBondContact O-N 3.16Å; E221-L223 VanDerWaalsContact C-N 3.29Å |
| 222 | K | 92 | Very high | 93 | Very high | 84 Ų | 84 | 61.2 Ų | 61.2 | 37% | 0.365 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -1.5 | 175 | -62.2 | 168.9 | -175.9 | -92.8 | 0 | 112.9 | A218 R219 A220 G240 K241 E242 | A218-K222 WeakPolarHBondContact O-CD 3.42Å; A218-K222 VanDerWaalsContact O-CE 3.28Å; A218-K222 WeakPolarHBondContact O-CE 3.47Å; R219-K222 PolarHBondContact O-N 3.28Å; A220-K222 PolarHBondContact O-N 2.98Å; A220-K222 VanDerWaalsContact O-N 3.11Å; K222-G240 CarbonylContact O-C 3.48Å; K222-G240 WeakPolarHBondContact O-CA 3.32Å; K222-K241 WeakPolarHBondContact O-CG 3.44Å; K222-K241 PolarHBondContact O-N 3Å; K222-E242 IonicContact NZ-OE1 3.61Å; K222-E242 PolarHBondContact NZ-OE1 3.29Å; K222-E242 IonicContact NZ-OE2 3.5Å; K222-E242 PolarHBondContact NZ-OE2 3.35Å |
| 223 | L | 94.1 | Very high | 93 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 151.3 | 170.9 | -59.9 | 177 | 0 | 0 | 0 | 110.9 | Y208 F211 A220 E221 Y238 L239 V305 I307 | Y208-L223 HydrophobicContact CD2-CD1 4.39Å; Y208-L223 HydrophobicContact CE2-CB 4.46Å; F211-L223 HydrophobicContact CD1-CD1 3.66Å; F211-L223 HydrophobicContact CE1-CD1 3.82Å; F211-L223 HydrophobicContact CE1-CG 4.38Å; F211-L223 HydrophobicContact CG-CD1 4.09Å; F211-L223 HydrophobicContact CZ-CD1 4.37Å; A220-L223 WeakPolarHBondContact O-CB 3.15Å; A220-L223 WeakPolarHBondContact O-CG 3.36Å; A220-L223 PolarHBondContact O-N 3.46Å; E221-L223 VanDerWaalsContact C-N 3.29Å; L223-Y238 HydrophobicContact CD1-CG 4.44Å; L223-L239 CarbonylContact C-O 3.58Å; L223-L239 WeakPolarHBondContact CA-O 3.49Å; L223-V305 HydrophobicContact CD2-CG1 3.89Å; L223-I307 HydrophobicContact CD1-CD1 4.05Å |
| 224 | G | 93.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 9% | 0.093 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 150.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y238 L239 F347 | G224-Y238 WeakPolarHBondContact O-CA 3.26Å; G224-L239 PolarHBondContact N-O 3.37Å; G224-L239 PolarHBondContact O-N 3.4Å; G224-F347 WeakPolarHBondContact O-CE2 3.45Å |
| 225 | E | 95.4 | Very high | 93.2 | Very high | 118 Ų | 118 | 57.4 Ų | 57.4 | 55% | 0.551 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 137.9 | -177 | -171.6 | 175.8 | -180 | 0 | 0 | 111.9 | G237 Y238 R350 | E225-G237 WeakPolarHBondContact CA-O 3.32Å; E225-Y238 HydrophobicContact CB-CD1 4.22Å; E225-Y238 HydrophobicContact CB-CE1 3.96Å; E225-Y238 HydrophobicContact CG-CE1 4.14Å; E225-R350 VanDerWaalsContact O-CZ 3.27Å; E225-R350 PolarHBondContact O-NH1 2.82Å; E225-R350 PolarHBondContact O-NH2 3.45Å |
| 226 | I | 95.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.3 | 174.3 | 178.5 | 161.5 | 0 | 0 | 0 | 108.9 | T236 G237 L239 A343 V344 F347 | I226-T236 CarbonylContact O-C 3.49Å; I226-T236 VanDerWaalsContact O-CA 3.31Å; I226-T236 WeakPolarHBondContact O-CA 3.48Å; I226-G237 WeakPolarHBondContact CG2-O 3.39Å; I226-G237 PolarHBondContact N-O 3.46Å; I226-G237 PolarHBondContact O-N 3.15Å; I226-L239 HydrophobicContact CB-CD1 4.5Å; I226-L239 HydrophobicContact CB-CG 4.42Å; I226-L239 HydrophobicContact CD1-CD1 3.52Å; I226-L239 HydrophobicContact CD1-CG 4.08Å; I226-L239 HydrophobicContact CG2-CG 4.1Å; I226-A343 HydrophobicContact CD1-CB 3.72Å; I226-A343 WeakPolarHBondContact CD1-O 3.12Å; I226-A343 HydrophobicContact CG1-CB 4.1Å; I226-V344 HydrophobicContact CD1-CG2 4.34Å; I226-F347 HydrophobicContact CB-CD2 4.49Å; I226-F347 HydrophobicContact CD1-CB 4.25Å |
| 227 | S | 95.3 | Very high | 93.7 | Very high | 82 Ų | 82 | 54 Ų | 54 | 57% | 0.573 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 123.6 | 174.1 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | V235 | S227-V235 CarbonylContact C-O 3.56Å; S227-V235 VanDerWaalsContact CA-O 3.29Å; S227-V235 WeakPolarHBondContact CA-O 3.38Å |
| 228 | H | 95.4 | Very high | 93.9 | Very high | 51 Ų | 51 | 51.5 Ų | 51.5 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 141.2 | 179.5 | -177 | 68.9 | 0 | 0 | 0 | 110.3 | V235 C339 E342 A343 | H228-V235 PolarHBondContact N-O 3.37Å; H228-V235 PolarHBondContact O-N 3.13Å; H228-C339 PolarHBondContact CD2-O 3.11Å; H228-E342 IonicContact CD2-OE2 2.67Å; H228-E342 IonicContact CE1-OE2 2.75Å; H228-E342 VanDerWaalsContact NE2-CB 3.32Å; H228-E342 WeakPolarHBondContact NE2-CB 3.39Å; H228-E342 IonicContact NE2-OE2 3.68Å; H228-E342 PolarHBondContact NE2-OE2 3.07Å; H228-A343 HydrophobicContact CB-CB 3.49Å; H228-A343 VanDerWaalsContact CB-CB 3.49Å |
| 229 | T | 95.6 | Very high | 94.2 | Very high | 86 Ų | 86 | 48.9 Ų | 48.9 | 53% | 0.528 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 122.7 | -178.3 | -54 | 0 | 0 | 0 | 0 | 110.3 | F233 E234 | T229-F233 CarbonylContact C-O 3.57Å; T229-F233 WeakPolarHBondContact CA-O 3.29Å; T229-F233 WeakPolarHBondContact CG2-O 3.31Å; T229-E234 HydrophobicContact CG2-CB 4.34Å |
| 230 | H | 91.4 | Very high | 94.3 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 12% | 0.12 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 103.7 | 174.8 | -168.2 | 113.6 | 0 | 0 | 0 | 109.6 | Q232 F233 C339 E342 | H230-Q232 PolarHBondContact O-N 3.43Å; H230-F233 PolarHBondContact N-O 2.87Å; H230-F233 PolarHBondContact O-N 2.96Å; H230-C339 HydrophobicContact CB-CB 3.75Å; H230-C339 VanDerWaalsContact CB-SG 3.53Å; H230-E342 IonicContact CE1-OE1 3.15Å; H230-E342 PolarHBondContact CE1-OE1 3.11Å; H230-E342 IonicContact CE1-OE2 2.71Å; H230-E342 IonicContact CG-OE2 3.47Å; H230-E342 VanDerWaalsContact ND1-CD 3.33Å; H230-E342 IonicContact ND1-OE1 2.72Å; H230-E342 PolarHBondContact ND1-OE1 3Å; H230-E342 IonicContact ND1-OE2 2.69Å; H230-E342 PolarHBondContact ND1-OE2 3.05Å |
| 231 | K | 89.3 | Confident | 94.2 | Very high | 133 Ų | 133 | 47.9 Ų | 47.9 | 58% | 0.578 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -118.9 | -178.7 | -56.8 | 169.7 | -176.6 | 125.5 | 0 | 110.9 | F233 | K231-F233 VanDerWaalsContact C-N 3.3Å; K231-F233 PolarHBondContact O-N 2.69Å |
| 232 | Q | 91.3 | Very high | 93.9 | Very high | 70 Ų | 70 | 46.2 Ų | 46.2 | 33% | 0.327 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4.7 | -178.2 | 71.3 | -108.5 | 40.4 | 0 | 0 | 115.2 | H230 C312 E316 | H230-Q232 PolarHBondContact O-N 3.43Å; Q232-C312 WeakPolarHBondContact O-CA 3.46Å; Q232-C312 WeakPolarHBondContact O-CB 3.41Å; Q232-E316 HydrophobicContact CG-CG 4.17Å; Q232-E316 PolarHBondContact NE2-OE2 2.87Å |
| 233 | F | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.3 | -178.9 | -58.2 | -71.1 | 0 | 0 | 0 | 111.4 | T229 H230 K231 I310 C312 E316 F330 R335 V336 C339 | T229-F233 CarbonylContact C-O 3.57Å; T229-F233 WeakPolarHBondContact CA-O 3.29Å; T229-F233 WeakPolarHBondContact CG2-O 3.31Å; H230-F233 PolarHBondContact N-O 2.87Å; H230-F233 PolarHBondContact O-N 2.96Å; K231-F233 VanDerWaalsContact C-N 3.3Å; K231-F233 PolarHBondContact O-N 2.69Å; F233-I310 HydrophobicContact CD1-CG2 4.47Å; F233-C312 HydrophobicContact CD1-CB 3.49Å; F233-C312 VanDerWaalsContact CD1-CB 3.49Å; F233-C312 HydrophobicContact CE1-CB 3.65Å; F233-E316 HydrophobicContact CE1-CB 4.1Å; F233-E316 HydrophobicContact CE1-CG 4.26Å; F233-E316 HydrophobicContact CZ-CB 4.26Å; F233-E316 HydrophobicContact CZ-CG 4.24Å; F233-E316 WeakPolarHBondContact CZ-OE2 3.34Å; F233-F330 HydrophobicContact CE1-CD1 4.14Å; F233-F330 HydrophobicContact CE1-CE1 4.13Å; F233-R335 HydrophobicContact CD2-CB 3.98Å; F233-R335 HydrophobicContact CE2-CB 3.71Å; F233-V336 HydrophobicContact CD1-CG2 3.72Å; F233-V336 HydrophobicContact CD2-CG2 4.04Å; F233-V336 HydrophobicContact CE1-CG2 3.42Å; F233-V336 VanDerWaalsContact CE1-CG2 3.42Å; F233-V336 HydrophobicContact CE2-CG2 3.73Å; F233-V336 HydrophobicContact CG-CG2 4.06Å; F233-V336 HydrophobicContact CZ-CG2 3.42Å; F233-V336 VanDerWaalsContact CZ-CG2 3.42Å; F233-C339 HydrophobicContact CB-CB 4.18Å; F233-C339 PolarHBondContact O-SG 3.35Å |
| 234 | E | 97.1 | Very high | 93.1 | Very high | 60 Ų | 60 | 43.3 Ų | 43.3 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.2 | 175.6 | 178.1 | -159.5 | 150.7 | 0 | 0 | 108.6 | T229 T236 I310 K311 | T229-E234 HydrophobicContact CG2-CB 4.34Å; E234-T236 HydrophobicContact CG-CG2 4.04Å; E234-T236 VanDerWaalsContact OE1-CG2 3.26Å; E234-T236 WeakPolarHBondContact OE1-CG2 3.41Å; E234-I310 CarbonylContact O-C 3.57Å; E234-I310 WeakPolarHBondContact O-CA 3.24Å; E234-K311 HydrophobicContact CB-CB 4.25Å; E234-K311 PolarHBondContact N-O 3.48Å; E234-K311 PolarHBondContact O-N 3.37Å; E234-K311 IonicContact OE1-NZ 2.81Å; E234-K311 PolarHBondContact OE1-NZ 2.94Å; E234-K311 IonicContact OE2-NZ 3.99Å |
| 235 | V | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.7 | 179.4 | 174.9 | 0 | 0 | 0 | 0 | 108.5 | S227 H228 I308 I310 C339 V340 A343 | S227-V235 CarbonylContact C-O 3.56Å; S227-V235 VanDerWaalsContact CA-O 3.29Å; S227-V235 WeakPolarHBondContact CA-O 3.38Å; H228-V235 PolarHBondContact N-O 3.37Å; H228-V235 PolarHBondContact O-N 3.13Å; V235-I308 HydrophobicContact CG1-CG2 3.85Å; V235-I310 HydrophobicContact CG2-CG1 4.29Å; V235-I310 HydrophobicContact CG2-CG2 4.35Å; V235-C339 HydrophobicContact CG2-CB 4.35Å; V235-C339 VanDerWaalsContact CG2-SG 3.55Å; V235-V340 HydrophobicContact CG2-CG2 3.87Å; V235-A343 HydrophobicContact CB-CB 4.13Å; V235-A343 HydrophobicContact CG1-CB 3.89Å |
| 236 | T | 97.2 | Very high | 92.2 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 157.1 | -178.7 | 48.8 | 0 | 0 | 0 | 0 | 112.8 | I226 E234 I308 N309 | I226-T236 CarbonylContact O-C 3.49Å; I226-T236 VanDerWaalsContact O-CA 3.31Å; I226-T236 WeakPolarHBondContact O-CA 3.48Å; E234-T236 HydrophobicContact CG-CG2 4.04Å; E234-T236 VanDerWaalsContact OE1-CG2 3.26Å; E234-T236 WeakPolarHBondContact OE1-CG2 3.41Å; T236-I308 WeakPolarHBondContact O-CA 3.46Å; T236-N309 PolarHBondContact N-O 3.46Å; T236-N309 PolarHBondContact O-N 3.43Å; T236-N309 PolarHBondContact OG1-O 3.06Å |
| 237 | G | 96.3 | Very high | 91.8 | Very high | 17 Ų | 17 | 52 Ų | 52 | 18% | 0.175 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -134.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E225 I226 I307 | E225-G237 WeakPolarHBondContact CA-O 3.32Å; I226-G237 WeakPolarHBondContact CG2-O 3.39Å; I226-G237 PolarHBondContact N-O 3.46Å; I226-G237 PolarHBondContact O-N 3.15Å; G237-I307 CarbonylContact C-O 3.39Å; G237-I307 VanDerWaalsContact CA-O 3.31Å; G237-I307 WeakPolarHBondContact CA-O 3.49Å |
| 238 | Y | 96.4 | Very high | 91.5 | Very high | 37 Ų | 37 | 50.6 Ų | 50.6 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 143 | -171.3 | -58.7 | -80.6 | 0 | 0 | 0 | 113.3 | T207 Y208 L223 G224 E225 Y306 I307 | T207-Y238 HydrophobicContact CG2-CD2 4.46Å; T207-Y238 HydrophobicContact CG2-CE2 4.38Å; Y208-Y238 HydrophobicContact CD2-CD1 4.35Å; Y208-Y238 HydrophobicContact CD2-CE1 4.16Å; L223-Y238 HydrophobicContact CD1-CG 4.44Å; G224-Y238 WeakPolarHBondContact O-CA 3.26Å; E225-Y238 HydrophobicContact CB-CD1 4.22Å; E225-Y238 HydrophobicContact CB-CE1 3.96Å; E225-Y238 HydrophobicContact CG-CE1 4.14Å; Y238-Y306 WeakPolarHBondContact O-CA 3.44Å; Y238-I307 HydrophobicContact CD2-CD1 4.38Å; Y238-I307 PolarHBondContact N-O 2.9Å; Y238-I307 PolarHBondContact O-N 3.48Å |
| 239 | L | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142.1 | 172.7 | -74.8 | -178.1 | 0 | 0 | 0 | 110.8 | L223 G224 I226 L272 I308 V344 F347 | L223-L239 CarbonylContact C-O 3.58Å; L223-L239 WeakPolarHBondContact CA-O 3.49Å; G224-L239 PolarHBondContact N-O 3.37Å; G224-L239 PolarHBondContact O-N 3.4Å; I226-L239 HydrophobicContact CB-CD1 4.5Å; I226-L239 HydrophobicContact CB-CG 4.42Å; I226-L239 HydrophobicContact CD1-CD1 3.52Å; I226-L239 HydrophobicContact CD1-CG 4.08Å; I226-L239 HydrophobicContact CG2-CG 4.1Å; L239-L272 HydrophobicContact CD1-CD2 4.44Å; L239-L272 HydrophobicContact CD2-CD1 4.1Å; L239-L272 HydrophobicContact CD2-CD2 4.35Å; L239-I308 HydrophobicContact CD2-CD1 3.94Å; L239-I308 HydrophobicContact CD2-CG1 4.46Å; L239-V344 HydrophobicContact CD1-CG1 4.48Å; L239-V344 HydrophobicContact CD1-CG2 4.13Å; L239-F347 HydrophobicContact CB-CD1 3.9Å; L239-F347 HydrophobicContact CB-CD2 4.31Å; L239-F347 HydrophobicContact CB-CE1 3.55Å; L239-F347 HydrophobicContact CB-CE2 4.01Å; L239-F347 HydrophobicContact CB-CG 4.26Å; L239-F347 HydrophobicContact CB-CZ 3.61Å; L239-F347 HydrophobicContact CD1-CB 3.91Å; L239-F347 HydrophobicContact CD1-CD1 3.46Å; L239-F347 VanDerWaalsContact CD1-CD1 3.46Å; L239-F347 HydrophobicContact CD1-CD2 4.32Å; L239-F347 HydrophobicContact CD1-CE1 4.02Å; L239-F347 HydrophobicContact CD1-CG 3.63Å; L239-F347 HydrophobicContact CG-CD1 4.32Å; L239-F347 HydrophobicContact CG-CE1 4.44Å; L239-F347 HydrophobicContact CG-CG 4.48Å |
| 240 | G | 92.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 139.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K222 E242 L275 V305 | K222-G240 CarbonylContact O-C 3.48Å; K222-G240 WeakPolarHBondContact O-CA 3.32Å; G240-E242 VanDerWaalsContact C-N 3.3Å; G240-L275 WeakPolarHBondContact O-CD1 3.42Å; G240-V305 PolarHBondContact N-O 3.14Å |
| 241 | K | 89.3 | Confident | 91.6 | Very high | 70 Ų | 70 | 45.1 Ų | 45.1 | 30% | 0.304 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -12.2 | 169.8 | -51.7 | -176.2 | -161.6 | -156.4 | 0 | 112.5 | K222 N279 F347 E351 L353 | K222-K241 WeakPolarHBondContact O-CG 3.44Å; K222-K241 PolarHBondContact O-N 3Å; K241-N279 PolarHBondContact O-ND2 2.88Å; K241-F347 HydrophobicContact CG-CZ 4.35Å; K241-E351 WeakPolarHBondContact CE-OE2 3.44Å; K241-E351 IonicContact NZ-OE2 2.7Å; K241-E351 PolarHBondContact NZ-OE2 3.06Å; K241-L353 HydrophobicContact CB-CD1 4.29Å |
| 242 | E | 85.4 | Confident | 92 | Very high | 84 Ų | 84 | 38.8 Ų | 38.8 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 156.5 | 173.7 | -71.6 | 173.5 | -141.4 | 0 | 0 | 109.6 | K222 G240 | K222-E242 IonicContact NZ-OE1 3.61Å; K222-E242 PolarHBondContact NZ-OE1 3.29Å; K222-E242 IonicContact NZ-OE2 3.5Å; K222-E242 PolarHBondContact NZ-OE2 3.35Å; G240-E242 VanDerWaalsContact C-N 3.3Å |
| 243 | G | 84.7 | Confident | 92.2 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 14% | 0.144 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 166.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q302 Y303 | G243-Q302 PolarHBondContact O-OE1 3.25Å; G243-Y303 CarbonylContact C-O 3.43Å; G243-Y303 WeakPolarHBondContact CA-O 3.26Å |
| 244 | H | 85.3 | Confident | 92.2 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 10% | 0.097 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 152.5 | 176.7 | -169.2 | -110.3 | 0 | 0 | 0 | 110.6 | N246 L249 Y303 V305 | H244-N246 PolarHBondContact CE1-OD1 2.98Å; H244-N246 PolarHBondContact ND1-O 2.93Å; H244-N246 PolarHBondContact ND1-OD1 2.94Å; H244-N246 PolarHBondContact O-N 3.19Å; H244-L249 HydrophobicContact CB-CD1 4.37Å; H244-Y303 PolarHBondContact N-O 2.98Å; H244-Y303 PolarHBondContact O-N 2.91Å; H244-V305 HydrophobicContact CB-CG2 3.68Å |
| 245 | Y | 83.3 | Confident | 92.1 | Very high | 163 Ų | 163 | 33.5 Ų | 33.5 | 64% | 0.639 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -70.1 | -13.2 | -175.7 | 64 | -90.4 | 0 | 0 | 0 | 113.8 | ||
| 246 | N | 85.4 | Confident | 92 | Very high | 51 Ų | 51 | 36.4 Ų | 36.4 | 27% | 0.273 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -145.8 | 172.3 | 171.7 | 71.5 | 21.8 | 0 | 0 | 0 | 110.9 | H244 S248 Y303 | H244-N246 PolarHBondContact CE1-OD1 2.98Å; H244-N246 PolarHBondContact ND1-O 2.93Å; H244-N246 PolarHBondContact ND1-OD1 2.94Å; H244-N246 PolarHBondContact O-N 3.19Å; N246-S248 VanDerWaalsContact C-N 3.29Å; N246-S248 PolarHBondContact O-N 2.7Å; N246-S248 VanDerWaalsContact OD1-CB 3.29Å; N246-S248 WeakPolarHBondContact OD1-CB 3.4Å; N246-S248 PolarHBondContact OD1-N 2.72Å; N246-S248 PolarHBondContact OD1-OG 3.09Å; N246-Y303 VanDerWaalsContact CA-CD2 3.49Å |
| 247 | N | 88 | Confident | 91.8 | Very high | 98 Ų | 98 | 35.6 Ų | 35.6 | 52% | 0.524 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -82.3 | 16.6 | -178.4 | 68 | -31.3 | 0 | 0 | 0 | 115.2 | L249 Q250 Y303 | N247-L249 PolarHBondContact O-N 3.39Å; N247-Q250 HydrophobicContact CB-CG 4.27Å; N247-Q250 WeakPolarHBondContact O-CB 3.3Å; N247-Q250 PolarHBondContact O-N 3.34Å; N247-Y303 HydrophobicContact CB-CD1 3.77Å; N247-Y303 HydrophobicContact CB-CE1 4.2Å; N247-Y303 HydrophobicContact CB-CG 4.13Å |
| 248 | S | 88.4 | Confident | 91.7 | Very high | 53 Ų | 53 | 35.7 Ų | 35.7 | 37% | 0.371 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -69 | -16.5 | -175.7 | 72.9 | 0 | 0 | 0 | 0 | 114.6 | N246 | N246-S248 VanDerWaalsContact C-N 3.29Å; N246-S248 PolarHBondContact O-N 2.7Å; N246-S248 VanDerWaalsContact OD1-CB 3.29Å; N246-S248 WeakPolarHBondContact OD1-CB 3.4Å; N246-S248 PolarHBondContact OD1-N 2.72Å; N246-S248 PolarHBondContact OD1-OG 3.09Å |
| 249 | L | 92.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -105.8 | 35.2 | -179.5 | -49.5 | -178.2 | 0 | 0 | 0 | 112 | H244 N247 V305 Y306 | H244-L249 HydrophobicContact CB-CD1 4.37Å; N247-L249 PolarHBondContact O-N 3.39Å; L249-V305 HydrophobicContact CB-CB 4.46Å; L249-V305 HydrophobicContact CB-CG1 3.89Å; L249-V305 HydrophobicContact CB-CG2 4.14Å; L249-V305 HydrophobicContact CD1-CG1 4.41Å; L249-V305 HydrophobicContact CD1-CG2 4.1Å; L249-Y306 PolarHBondContact O-N 2.94Å |
| 250 | Q | 94.8 | Very high | 91.3 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 12% | 0.121 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 100.8 | 178.6 | -68.2 | -162.9 | -12.8 | 0 | 0 | 110 | N247 N269 G304 Y306 | N247-Q250 HydrophobicContact CB-CG 4.27Å; N247-Q250 WeakPolarHBondContact O-CB 3.3Å; N247-Q250 PolarHBondContact O-N 3.34Å; Q250-N269 PolarHBondContact NE2-OD1 2.81Å; Q250-N269 PolarHBondContact OE1-ND2 3.2Å; Q250-N269 PolarHBondContact OE1-OD1 3.06Å; Q250-G304 WeakPolarHBondContact CG-O 3.27Å; Q250-G304 PolarHBondContact NE2-O 2.99Å; Q250-Y306 HydrophobicContact CB-CD1 4.49Å; Q250-Y306 HydrophobicContact CB-CE1 3.89Å; Q250-Y306 HydrophobicContact CB-CE2 3.9Å; Q250-Y306 HydrophobicContact CG-CD1 4.03Å; Q250-Y306 HydrophobicContact CG-CE1 3.51Å; Q250-Y306 HydrophobicContact CG-CE2 4.43Å; Q250-Y306 PolarHBondContact OE1-OH 3.38Å |
| 251 | Y | 96.8 | Very high | 91 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 7% | 0.071 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 113.5 | -177.8 | -55.6 | -83.2 | 0 | 0 | 0 | 110.2 | A177 L180 F211 Y306 I307 I308 | A177-Y251 HydrophobicContact CB-CD1 4.05Å; A177-Y251 HydrophobicContact CB-CE1 3.85Å; L180-Y251 HydrophobicContact CD1-CD1 3.7Å; L180-Y251 HydrophobicContact CD1-CD2 3.84Å; L180-Y251 HydrophobicContact CD1-CE1 3.86Å; L180-Y251 HydrophobicContact CD1-CE2 3.98Å; L180-Y251 HydrophobicContact CD1-CG 3.69Å; F211-Y251 HydrophobicContact CE2-CE2 4.39Å; Y251-Y306 PolarHBondContact N-O 3.44Å; Y251-Y306 WeakPolarHBondContact O-CD2 3.43Å; Y251-I307 HydrophobicContact CD2-CG1 4.28Å; Y251-I307 CarbonylContact O-C 3.56Å; Y251-I307 WeakPolarHBondContact O-CA 3.37Å; Y251-I308 PolarHBondContact O-N 3.43Å |
| 252 | L | 97.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.1 | 175 | -177 | 68.3 | 0 | 0 | 0 | 110.1 | L259 T262 I264 L268 Y306 I308 I310 | L252-L259 HydrophobicContact CD2-CB 4.39Å; L252-L259 HydrophobicContact CD2-CD1 4.27Å; L252-L259 PolarHBondContact O-N 2.85Å; L252-T262 WeakPolarHBondContact CD2-OG1 3.29Å; L252-I264 HydrophobicContact CD1-CG2 4Å; L252-I264 HydrophobicContact CD2-CB 3.82Å; L252-I264 HydrophobicContact CD2-CD1 4.2Å; L252-I264 HydrophobicContact CD2-CG2 3.71Å; L252-L268 HydrophobicContact CD1-CD1 4.43Å; L252-Y306 HydrophobicContact CB-CE2 4.34Å; L252-I308 CarbonylContact C-O 3.6Å; L252-I308 WeakPolarHBondContact CA-O 3.45Å; L252-I308 HydrophobicContact CD1-CB 3.98Å; L252-I308 HydrophobicContact CD1-CG2 3.86Å; L252-I310 HydrophobicContact CD1-CD1 4.24Å; L252-I310 HydrophobicContact CD1-CG1 4.4Å |
| 253 | Y | 97.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 150.5 | 178.1 | -50.4 | -95.2 | 0 | 0 | 0 | 111.1 | A177 L180 M181 D256 R257 L258 I307 I308 I310 | A177-Y253 WeakPolarHBondContact O-CE1 3.35Å; A177-Y253 PolarHBondContact O-OH 3.27Å; L180-Y253 WeakPolarHBondContact CB-OH 3.49Å; L180-Y253 WeakPolarHBondContact CD1-OH 3.43Å; M181-Y253 HydrophobicContact CE-CD2 3.75Å; M181-Y253 HydrophobicContact CE-CE2 3.68Å; M181-Y253 HydrophobicContact CE-CG 4.33Å; M181-Y253 HydrophobicContact CG-CD1 3.34Å; M181-Y253 HydrophobicContact CG-CD2 3.97Å; M181-Y253 HydrophobicContact CG-CE1 3.51Å; M181-Y253 HydrophobicContact CG-CE2 4.13Å; M181-Y253 HydrophobicContact CG-CG 3.6Å; M181-Y253 HydrophobicContact SD-CD1 4.1Å; M181-Y253 HydrophobicContact SD-CD2 3.7Å; M181-Y253 HydrophobicContact SD-CE2 4.14Å; M181-Y253 HydrophobicContact SD-CG 3.7Å; Y253-D256 WeakPolarHBondContact CD1-O 3.44Å; Y253-R257 CarbonylContact C-O 3.44Å; Y253-R257 WeakPolarHBondContact CA-O 3.38Å; Y253-L258 HydrophobicContact CD1-CB 4Å; Y253-L258 HydrophobicContact CD1-CD1 4.29Å; Y253-L258 HydrophobicContact CE1-CB 3.86Å; Y253-L258 HydrophobicContact CE1-CD1 3.75Å; Y253-L258 HydrophobicContact CE1-CG 4.38Å; Y253-I307 HydrophobicContact CE2-CG2 4.09Å; Y253-I308 WeakPolarHBondContact CD2-O 3.47Å; Y253-I308 PolarHBondContact N-O 3.49Å; Y253-I310 PolarHBondContact O-N 3.01Å |
| 254 | V | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 118.8 | 167.5 | 175.5 | 0 | 0 | 0 | 0 | 108.2 | D256 R257 L259 I310 Y317 F330 | V254-D256 VanDerWaalsContact C-N 3.28Å; V254-D256 PolarHBondContact O-N 3.39Å; V254-R257 PolarHBondContact N-O 3.04Å; V254-R257 VanDerWaalsContact O-CB 3.31Å; V254-R257 WeakPolarHBondContact O-CB 3.17Å; V254-R257 PolarHBondContact O-N 3.47Å; V254-L259 HydrophobicContact CB-CD1 4.17Å; V254-L259 HydrophobicContact CG2-CD1 3.42Å; V254-L259 VanDerWaalsContact CG2-CD1 3.42Å; V254-L259 HydrophobicContact CG2-CG 4.33Å; V254-I310 CarbonylContact C-O 3.59Å; V254-I310 VanDerWaalsContact CA-O 3.3Å; V254-I310 WeakPolarHBondContact CA-O 3.39Å; V254-I310 HydrophobicContact CG2-CB 4.23Å; V254-Y317 HydrophobicContact CG1-CD1 4.19Å; V254-Y317 HydrophobicContact CG1-CD2 4.2Å; V254-Y317 HydrophobicContact CG1-CE1 3.81Å; V254-Y317 HydrophobicContact CG1-CE2 3.78Å; V254-Y317 HydrophobicContact CG1-CG 4.41Å; V254-F330 HydrophobicContact CG1-CE1 4.37Å; V254-F330 HydrophobicContact CG1-CZ 4.07Å; V254-F330 HydrophobicContact CG2-CE2 4.46Å; V254-F330 HydrophobicContact CG2-CZ 3.79Å |
| 255 | N | 94.7 | Very high | 92.4 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.2 | 56.8 | -167.5 | -67.4 | -29 | 0 | 0 | 0 | 111.2 | R257 I310 K311 C312 Y314 Y317 | N255-R257 PolarHBondContact O-N 2.8Å; N255-I310 PolarHBondContact N-O 2.84Å; N255-K311 VanDerWaalsContact OD1-CA 3.29Å; N255-K311 WeakPolarHBondContact OD1-CA 3.43Å; N255-C312 PolarHBondContact ND2-O 3.29Å; N255-C312 PolarHBondContact OD1-N 2.86Å; N255-C312 VanDerWaalsContact OD1-N 3.15Å; N255-C312 PolarHBondContact OD1-O 3.4Å; N255-Y314 HydrophobicContact CB-CE1 3.78Å; N255-Y317 WeakPolarHBondContact CB-OH 3.33Å; N255-Y317 PolarHBondContact ND2-OH 2.81Å |
| 256 | D | 94.2 | Very high | 92.9 | Very high | 62 Ų | 62 | 42 Ų | 42 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | -3.9 | 179.8 | -48.1 | -28.5 | 0 | 0 | 0 | 116.2 | Y90 M181 Y253 V254 N309 | Y90-D256 VanDerWaalsContact OH-CB 3.25Å; Y90-D256 WeakPolarHBondContact OH-CB 3.44Å; Y90-D256 PolarHBondContact OH-O 2.99Å; M181-D256 HydrophobicContact CB-CB 4.03Å; M181-D256 HydrophobicContact CG-CB 4.25Å; Y253-D256 WeakPolarHBondContact CD1-O 3.44Å; V254-D256 VanDerWaalsContact C-N 3.28Å; V254-D256 PolarHBondContact O-N 3.39Å; D256-N309 PolarHBondContact N-OD1 3.44Å; D256-N309 VanDerWaalsContact N-OD1 3.1Å; D256-N309 PolarHBondContact OD1-ND2 3.12Å |
| 257 | R | 93.4 | Very high | 93.3 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 3% | 0.034 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 121.4 | -179.9 | -59.1 | 169.3 | 177.3 | -82.8 | 0.3 | 112.1 | L87 C89 Y90 Y253 V254 N255 L259 I319 | L87-R257 PolarHBondContact O-NH2 3.34Å; C89-R257 PolarHBondContact O-NH2 2.99Å; Y90-R257 HydrophobicContact CD1-CG 4.33Å; Y90-R257 HydrophobicContact CE1-CG 4.01Å; Y253-R257 CarbonylContact C-O 3.44Å; Y253-R257 WeakPolarHBondContact CA-O 3.38Å; V254-R257 PolarHBondContact N-O 3.04Å; V254-R257 VanDerWaalsContact O-CB 3.31Å; V254-R257 WeakPolarHBondContact O-CB 3.17Å; V254-R257 PolarHBondContact O-N 3.47Å; N255-R257 PolarHBondContact O-N 2.8Å; R257-L259 PolarHBondContact O-N 2.9Å; R257-I319 VanDerWaalsContact CZ-CD1 3.48Å |
| 258 | L | 94.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 10% | 0.099 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 125.3 | 179.5 | 178.5 | 65.3 | 0 | 0 | 0 | 112.4 | A177 Y253 L260 | A177-L258 HydrophobicContact CB-CD1 4.43Å; A177-L258 HydrophobicContact CB-CD2 3.65Å; Y253-L258 HydrophobicContact CD1-CB 4Å; Y253-L258 HydrophobicContact CD1-CD1 4.29Å; Y253-L258 HydrophobicContact CE1-CB 3.86Å; Y253-L258 HydrophobicContact CE1-CD1 3.75Å; Y253-L258 HydrophobicContact CE1-CG 4.38Å; L258-L260 HydrophobicContact CD2-CD2 4.23Å; L258-L260 HydrophobicContact CG-CD2 4.19Å |
| 259 | L | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 141.5 | 175.2 | -55.8 | -172.7 | 0 | 0 | 0 | 110.9 | L252 V254 R257 T262 H265 T326 V328 | L252-L259 HydrophobicContact CD2-CB 4.39Å; L252-L259 HydrophobicContact CD2-CD1 4.27Å; L252-L259 PolarHBondContact O-N 2.85Å; V254-L259 HydrophobicContact CB-CD1 4.17Å; V254-L259 HydrophobicContact CG2-CD1 3.42Å; V254-L259 VanDerWaalsContact CG2-CD1 3.42Å; V254-L259 HydrophobicContact CG2-CG 4.33Å; R257-L259 PolarHBondContact O-N 2.9Å; L259-T262 HydrophobicContact CB-CG2 4.36Å; L259-T262 HydrophobicContact CD1-CG2 3.96Å; L259-H265 PolarHBondContact O-CE1 3.39Å; L259-T326 WeakPolarHBondContact CA-O 3.37Å; L259-V328 HydrophobicContact CD1-CG2 3.64Å; L259-V328 HydrophobicContact CD2-CG1 3.72Å; L259-V328 HydrophobicContact CD2-CG2 4.15Å |
| 260 | L | 89.1 | Confident | 93.4 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 38% | 0.377 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -109.5 | -29 | -174.8 | -59.2 | 177.3 | 0 | 0 | 0 | 114.4 | L258 T326 | L258-L260 HydrophobicContact CD2-CD2 4.23Å; L258-L260 HydrophobicContact CG-CD2 4.19Å; L260-T326 HydrophobicContact CD1-CG2 3.89Å; L260-T326 HydrophobicContact CG-CG2 4.1Å; L260-T326 PolarHBondContact N-O 2.71Å |
| 261 | K | 86.6 | Confident | 93 | Very high | 164 Ų | 164 | 37.1 Ų | 37.1 | 71% | 0.713 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -151.7 | 113.8 | -178.3 | -64.3 | -173.8 | -178.3 | 178.9 | 0 | 110.9 | L327 | K261-L327 HydrophobicContact CB-CD2 4.23Å; K261-L327 VanDerWaalsContact O-CD2 3.27Å; K261-L327 WeakPolarHBondContact O-CD2 3.5Å |
| 262 | T | 92.3 | Very high | 92.5 | Very high | 18 Ų | 18 | 36.2 Ų | 36.2 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | trans | -147.5 | 170.6 | 178.6 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | L252 L259 I264 H265 | L252-T262 WeakPolarHBondContact CD2-OG1 3.29Å; L259-T262 HydrophobicContact CB-CG2 4.36Å; L259-T262 HydrophobicContact CD1-CG2 3.96Å; T262-I264 PolarHBondContact O-N 3.06Å; T262-H265 PolarHBondContact N-ND1 3.49Å; T262-H265 PolarHBondContact O-N 3.38Å; T262-H265 PolarHBondContact OG1-N 3.12Å; T262-H265 PolarHBondContact OG1-ND1 3.07Å | ||
| 263 | R | 92.7 | Very high | 91.5 | Very high | 79 Ų | 79 | 42.5 Ų | 42.5 | 30% | 0.298 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -54.5 | -37.3 | 167.8 | -71.1 | 171 | 64.9 | 178.9 | -6.2 | 111.5 | H265 K266 L267 W333 D334 L337 | R263-H265 PolarHBondContact O-N 3.16Å; R263-K266 WeakPolarHBondContact O-CB 3.47Å; R263-K266 PolarHBondContact O-N 3.12Å; R263-K266 VanDerWaalsContact O-N 3.08Å; R263-L267 PolarHBondContact O-N 3.35Å; R263-L267 VanDerWaalsContact O-N 3.07Å; R263-W333 HydrophobicContact CB-CE3 4.03Å; R263-W333 HydrophobicContact CB-CH2 4.29Å; R263-W333 HydrophobicContact CB-CZ3 3.83Å; R263-W333 HydrophobicContact CG-CE3 4.45Å; R263-W333 HydrophobicContact CG-CH2 4.5Å; R263-W333 HydrophobicContact CG-CZ3 4.4Å; R263-W333 VanDerWaalsContact NH1-CB 3.26Å; R263-W333 VanDerWaalsContact NH1-CD1 3.31Å; R263-D334 IonicContact NH2-OD1 3.79Å; R263-D334 PolarHBondContact NH2-OD1 2.87Å; R263-D334 VanDerWaalsContact NH2-OD1 3.15Å; R263-L337 HydrophobicContact CB-CD1 4.36Å; R263-L337 HydrophobicContact CB-CD2 4.17Å |
| 264 | I | 95.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 178.4 | -58.4 | 151.7 | 0 | 0 | 0 | 111.7 | L252 T262 K266 L267 L268 I310 F330 W333 V336 L337 V340 | L252-I264 HydrophobicContact CD1-CG2 4Å; L252-I264 HydrophobicContact CD2-CB 3.82Å; L252-I264 HydrophobicContact CD2-CD1 4.2Å; L252-I264 HydrophobicContact CD2-CG2 3.71Å; T262-I264 PolarHBondContact O-N 3.06Å; I264-K266 VanDerWaalsContact C-N 3.26Å; I264-K266 PolarHBondContact O-N 2.68Å; I264-L267 PolarHBondContact O-N 2.8Å; I264-L268 HydrophobicContact CG2-CD1 3.85Å; I264-L268 HydrophobicContact CG2-CG 4.2Å; I264-L268 WeakPolarHBondContact O-CB 3.25Å; I264-L268 WeakPolarHBondContact O-CG 3.46Å; I264-L268 PolarHBondContact O-N 2.97Å; I264-I310 HydrophobicContact CD1-CD1 3.88Å; I264-I310 HydrophobicContact CG2-CD1 4.48Å; I264-F330 HydrophobicContact CD1-CE2 3.96Å; I264-W333 HydrophobicContact CD1-CZ3 4.1Å; I264-W333 HydrophobicContact CG1-CZ3 4.16Å; I264-V336 HydrophobicContact CD1-CG1 3.83Å; I264-V336 HydrophobicContact CG1-CG1 4.17Å; I264-L337 HydrophobicContact CG1-CD2 4.03Å; I264-V340 HydrophobicContact CG2-CG1 4.23Å; I264-V340 HydrophobicContact CG2-CG2 4.17Å |
| 265 | H | 94.3 | Very high | 87.8 | Confident | 24 Ų | 24 | 47.6 Ų | 47.6 | 11% | 0.111 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -35.8 | 174.7 | -76.1 | 83.1 | 0 | 0 | 0 | 112.4 | L259 T262 R263 N269 Y306 | L259-H265 PolarHBondContact O-CE1 3.39Å; T262-H265 PolarHBondContact N-ND1 3.49Å; T262-H265 PolarHBondContact O-N 3.38Å; T262-H265 PolarHBondContact OG1-N 3.12Å; T262-H265 PolarHBondContact OG1-ND1 3.07Å; R263-H265 PolarHBondContact O-N 3.16Å; H265-N269 WeakPolarHBondContact O-CB 3.41Å; H265-N269 PolarHBondContact O-N 3.37Å; H265-N269 VanDerWaalsContact O-N 3.1Å; H265-N269 PolarHBondContact O-ND2 2.97Å; H265-Y306 PolarHBondContact CD2-OH 3.08Å |
| 266 | K | 92.8 | Very high | 85.6 | Confident | 166 Ų | 166 | 48.3 Ų | 48.3 | 72% | 0.722 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -69.1 | -44.2 | 175.5 | -63.1 | -173.2 | 177.2 | -174.8 | 0 | 111.3 | R263 I264 N269 C270 | R263-K266 WeakPolarHBondContact O-CB 3.47Å; R263-K266 PolarHBondContact O-N 3.12Å; R263-K266 VanDerWaalsContact O-N 3.08Å; I264-K266 VanDerWaalsContact C-N 3.26Å; I264-K266 PolarHBondContact O-N 2.68Å; K266-N269 PolarHBondContact O-N 3.2Å; K266-C270 WeakPolarHBondContact O-CB 3.22Å; K266-C270 PolarHBondContact O-N 3.28Å |
| 267 | L | 93.1 | Very high | 83.5 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.3 | -49.2 | 176.5 | 178.3 | 64.8 | 0 | 0 | 0 | 111.7 | R263 I264 N269 C270 L271 L337 V340 E341 V365 | R263-L267 PolarHBondContact O-N 3.35Å; R263-L267 VanDerWaalsContact O-N 3.07Å; I264-L267 PolarHBondContact O-N 2.8Å; L267-N269 PolarHBondContact O-N 2.72Å; L267-C270 WeakPolarHBondContact O-CA 3.27Å; L267-C270 WeakPolarHBondContact O-CB 3.34Å; L267-C270 PolarHBondContact O-N 3.34Å; L267-L271 HydrophobicContact CD1-CD1 3.84Å; L267-L271 HydrophobicContact CD1-CG 4.04Å; L267-L271 HydrophobicContact CG-CD1 3.86Å; L267-L271 HydrophobicContact CG-CG 4.4Å; L267-L271 WeakPolarHBondContact O-CG 3.39Å; L267-L271 PolarHBondContact O-N 3.38Å; L267-L337 HydrophobicContact CB-CD2 4.12Å; L267-L337 HydrophobicContact CD2-CB 4.05Å; L267-L337 HydrophobicContact CD2-CD2 3.7Å; L267-L337 HydrophobicContact CD2-CG 4.49Å; L267-L337 VanDerWaalsContact CD2-O 3.28Å; L267-L337 WeakPolarHBondContact CD2-O 3.23Å; L267-V340 HydrophobicContact CD2-CB 4.23Å; L267-V340 HydrophobicContact CD2-CG1 4.17Å; L267-E341 HydrophobicContact CD2-CB 4.26Å; L267-V365 HydrophobicContact CD1-CG1 3.86Å |
| 268 | L | 93 | Very high | 81.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 177.6 | -71 | 171.1 | 0 | 0 | 0 | 111.8 | L252 I264 C270 L271 L272 Y306 I308 V340 V344 | L252-L268 HydrophobicContact CD1-CD1 4.43Å; I264-L268 HydrophobicContact CG2-CD1 3.85Å; I264-L268 HydrophobicContact CG2-CG 4.2Å; I264-L268 WeakPolarHBondContact O-CB 3.25Å; I264-L268 WeakPolarHBondContact O-CG 3.46Å; I264-L268 PolarHBondContact O-N 2.97Å; L268-C270 PolarHBondContact O-N 3.41Å; L268-L271 PolarHBondContact O-N 3.44Å; L268-L272 HydrophobicContact CB-CD1 4.4Å; L268-L272 HydrophobicContact CD2-CD1 4.47Å; L268-L272 VanDerWaalsContact O-CB 3.25Å; L268-L272 WeakPolarHBondContact O-CB 3.38Å; L268-L272 VanDerWaalsContact O-CG 3.24Å; L268-L272 WeakPolarHBondContact O-CG 3.44Å; L268-L272 PolarHBondContact O-N 3.13Å; L268-Y306 HydrophobicContact CB-CD1 4.44Å; L268-Y306 HydrophobicContact CB-CE1 3.86Å; L268-Y306 HydrophobicContact CD1-CD1 4.39Å; L268-Y306 HydrophobicContact CD1-CD2 4Å; L268-Y306 HydrophobicContact CD1-CE1 4.03Å; L268-Y306 HydrophobicContact CD1-CE2 3.62Å; L268-Y306 HydrophobicContact CD1-CG 4.36Å; L268-I308 HydrophobicContact CD1-CD1 3.8Å; L268-I308 HydrophobicContact CD2-CD1 3.61Å; L268-I308 HydrophobicContact CG-CD1 4.39Å; L268-V340 HydrophobicContact CD2-CG1 3.68Å; L268-V340 HydrophobicContact CG-CG1 4.15Å; L268-V344 HydrophobicContact CD2-CG2 3.76Å |
| 269 | N | 90.8 | Very high | 78.8 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 21% | 0.214 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.3 | -17.3 | 175.6 | -78.9 | -72 | 0 | 0 | 0 | 113.7 | Q250 H265 K266 L267 | Q250-N269 PolarHBondContact NE2-OD1 2.81Å; Q250-N269 PolarHBondContact OE1-ND2 3.2Å; Q250-N269 PolarHBondContact OE1-OD1 3.06Å; H265-N269 WeakPolarHBondContact O-CB 3.41Å; H265-N269 PolarHBondContact O-N 3.37Å; H265-N269 VanDerWaalsContact O-N 3.1Å; H265-N269 PolarHBondContact O-ND2 2.97Å; K266-N269 PolarHBondContact O-N 3.2Å; L267-N269 PolarHBondContact O-N 2.72Å |
| 270 | C | 88.2 | Confident | 76.6 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 38% | 0.378 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -78.7 | -55.3 | 170.2 | -166.8 | 0 | 0 | 0 | 0 | 110.8 | K266 L267 L268 L272 R273 | K266-C270 WeakPolarHBondContact O-CB 3.22Å; K266-C270 PolarHBondContact O-N 3.28Å; L267-C270 WeakPolarHBondContact O-CA 3.27Å; L267-C270 WeakPolarHBondContact O-CB 3.34Å; L267-C270 PolarHBondContact O-N 3.34Å; L268-C270 PolarHBondContact O-N 3.41Å; C270-L272 PolarHBondContact O-N 2.76Å; C270-R273 PolarHBondContact O-N 3.42Å |
| 271 | L | 87.3 | Confident | 74.4 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | -176.6 | -64.8 | 172.5 | 0 | 0 | 0 | 112.6 | L267 L268 E341 V344 F357 | L267-L271 HydrophobicContact CD1-CD1 3.84Å; L267-L271 HydrophobicContact CD1-CG 4.04Å; L267-L271 HydrophobicContact CG-CD1 3.86Å; L267-L271 HydrophobicContact CG-CG 4.4Å; L267-L271 WeakPolarHBondContact O-CG 3.39Å; L267-L271 PolarHBondContact O-N 3.38Å; L268-L271 PolarHBondContact O-N 3.44Å; L271-E341 HydrophobicContact CD1-CB 4.29Å; L271-E341 HydrophobicContact CD1-CG 4.13Å; L271-E341 HydrophobicContact CD2-CG 4.36Å; L271-V344 HydrophobicContact CB-CG1 3.89Å; L271-V344 HydrophobicContact CD1-CB 3.99Å; L271-V344 HydrophobicContact CD1-CG1 3.97Å; L271-V344 HydrophobicContact CD1-CG2 4.37Å; L271-F357 HydrophobicContact CD2-CE1 4.49Å |
| 272 | L | 86.2 | Confident | 71.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -82.7 | -13.7 | -174.4 | -58.6 | 173 | 0 | 0 | 0 | 113.5 | L239 L268 C270 R274 L275 Y306 V344 | L239-L272 HydrophobicContact CD1-CD2 4.44Å; L239-L272 HydrophobicContact CD2-CD1 4.1Å; L239-L272 HydrophobicContact CD2-CD2 4.35Å; L268-L272 HydrophobicContact CB-CD1 4.4Å; L268-L272 HydrophobicContact CD2-CD1 4.47Å; L268-L272 VanDerWaalsContact O-CB 3.25Å; L268-L272 WeakPolarHBondContact O-CB 3.38Å; L268-L272 VanDerWaalsContact O-CG 3.24Å; L268-L272 WeakPolarHBondContact O-CG 3.44Å; L268-L272 PolarHBondContact O-N 3.13Å; C270-L272 PolarHBondContact O-N 2.76Å; L272-R274 PolarHBondContact O-N 3.04Å; L272-R274 VanDerWaalsContact O-N 3.16Å; L272-L275 HydrophobicContact CB-CD1 4.25Å; L272-L275 HydrophobicContact CD2-CD1 3.81Å; L272-L275 VanDerWaalsContact O-CB 3.32Å; L272-L275 WeakPolarHBondContact O-CB 3.47Å; L272-L275 PolarHBondContact O-N 3.27Å; L272-Y306 HydrophobicContact CD1-CD1 3.7Å; L272-Y306 HydrophobicContact CD1-CE1 4.31Å; L272-V344 HydrophobicContact CD2-CG1 3.93Å |
| 273 | R | 74.8 | Confident | 69.1 | Low | 131 Ų | 131 | 72.1 Ų | 72.1 | 49% | 0.494 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -54.4 | -37 | 179.5 | -170.1 | -171.8 | -64.2 | -123.9 | 11.5 | 112.5 | C270 L275 S276 D301 | C270-R273 PolarHBondContact O-N 3.42Å; R273-L275 VanDerWaalsContact C-N 3.31Å; R273-L275 PolarHBondContact O-N 2.93Å; R273-S276 WeakPolarHBondContact O-CB 3.39Å; R273-S276 PolarHBondContact O-N 3.48Å; R273-S276 PolarHBondContact O-OG 3.23Å; R273-D301 VanDerWaalsContact CD-OD2 3.29Å; R273-D301 WeakPolarHBondContact CD-OD2 2.91Å; R273-D301 HydrophobicContact CG-CB 4.43Å; R273-D301 IonicContact CZ-OD2 3.67Å; R273-D301 IonicContact NE-OD2 3.58Å; R273-D301 IonicContact NH1-OD2 2.79Å; R273-D301 PolarHBondContact NH1-OD2 2.93Å |
| 274 | R | 59.3 | Low | 66 | Low | 104 Ų | 104 | 73.4 Ų | 73.4 | 39% | 0.392 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -72.9 | -14.2 | -178.7 | -78.2 | -167.1 | 169.9 | 157.8 | 8.8 | 115 | L272 S276 S277 D361 | L272-R274 PolarHBondContact O-N 3.04Å; L272-R274 VanDerWaalsContact O-N 3.16Å; R274-S276 PolarHBondContact O-N 3.01Å; R274-S277 WeakPolarHBondContact O-CB 3.47Å; R274-S277 PolarHBondContact O-N 2.88Å; R274-D361 IonicContact CZ-OD1 3.44Å; R274-D361 IonicContact CZ-OD2 3.73Å; R274-D361 IonicContact NH1-OD1 3.39Å; R274-D361 IonicContact NH1-OD2 2.76Å; R274-D361 PolarHBondContact NH1-OD2 2.61Å; R274-D361 IonicContact NH2-OD1 3.53Å; R274-D361 PolarHBondContact NH2-OD1 3.17Å; R274-D361 IonicContact NH2-OD2 2.77Å; R274-D361 PolarHBondContact NH2-OD2 2.82Å |
| 275 | L | 56.3 | Low | 63.6 | Low | 6 Ų | 6 | 79.5 Ų | 79.5 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -55.7 | -38 | 171.6 | -72.8 | 177.7 | 0 | 0 | 0 | 111.7 | G240 L272 R273 S277 S278 L348 L353 | G240-L275 WeakPolarHBondContact O-CD1 3.42Å; L272-L275 HydrophobicContact CB-CD1 4.25Å; L272-L275 HydrophobicContact CD2-CD1 3.81Å; L272-L275 VanDerWaalsContact O-CB 3.32Å; L272-L275 WeakPolarHBondContact O-CB 3.47Å; L272-L275 PolarHBondContact O-N 3.27Å; R273-L275 VanDerWaalsContact C-N 3.31Å; R273-L275 PolarHBondContact O-N 2.93Å; L275-S277 PolarHBondContact O-N 2.88Å; L275-S278 PolarHBondContact O-N 3.2Å; L275-L348 HydrophobicContact CD1-CD2 4.46Å; L275-L348 HydrophobicContact CD2-CD2 3.42Å; L275-L348 VanDerWaalsContact CD2-CD2 3.42Å; L275-L348 HydrophobicContact CG-CD2 4.07Å; L275-L353 HydrophobicContact CD2-CB 3.82Å; L275-L353 HydrophobicContact CD2-CD1 3.61Å; L275-L353 HydrophobicContact CD2-CG 4.18Å |
| 276 | S | 50 | Low | 60.7 | Low | 31 Ų | 31 | 86.5 Ų | 86.5 | 22% | 0.217 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -54.2 | -18.6 | 174.7 | -35.3 | 0 | 0 | 0 | 0 | 114.6 | R273 R274 Q302 | R273-S276 WeakPolarHBondContact O-CB 3.39Å; R273-S276 PolarHBondContact O-N 3.48Å; R273-S276 PolarHBondContact O-OG 3.23Å; R274-S276 PolarHBondContact O-N 3.01Å; S276-Q302 WeakPolarHBondContact OG-CB 3.44Å; S276-Q302 PolarHBondContact OG-N 3.21Å; S276-Q302 PolarHBondContact OG-O 3.22Å |
| 277 | S | 48.7 | Very low | 58.2 | Low | 66 Ų | 66 | 82 Ų | 82 | 46% | 0.462 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -103.5 | -30.3 | -173 | -68.2 | 0 | 0 | 0 | 0 | 114.7 | R274 L275 K297 | R274-S277 WeakPolarHBondContact O-CB 3.47Å; R274-S277 PolarHBondContact O-N 2.88Å; L275-S277 PolarHBondContact O-N 2.88Å; S277-K297 PolarHBondContact O-NZ 3.4Å |
| 278 | S | 45.7 | Very low | 55.2 | Low | 33 Ų | 33 | 87.3 Ų | 87.3 | 23% | 0.231 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -89.2 | -22.9 | -158.7 | -151.9 | 0 | 0 | 0 | 0 | 115.7 | L275 Q280 | L275-S278 PolarHBondContact O-N 3.2Å; S278-Q280 PolarHBondContact O-N 3.04Å |
| 279 | N | 45 | Very low | 52.7 | Low | 87 Ų | 87 | 93.4 Ų | 93.4 | 47% | 0.465 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 42.6 | -170.7 | -62.2 | 0.9 | 0 | 0 | 0 | 114 | K241 L353 | K241-N279 PolarHBondContact O-ND2 2.88Å; N279-L353 WeakPolarHBondContact OD1-CD2 3.34Å |
| 280 | Q | 47.5 | Very low | 50 | Low | 128 Ų | 128 | 97.2 Ų | 97.2 | 60% | 0.598 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | 4.6 | 174.5 | -74.8 | -175.8 | -31.1 | 0 | 0 | 113.3 | S278 K297 | S278-Q280 PolarHBondContact O-N 3.04Å; Q280-K297 VanDerWaalsContact OE1-CE 3.24Å |
| 281 | K | 43.3 | Very low | 47.5 | Very low | 186 Ų | 186 | 101 Ų | 101 | 81% | 0.809 | 57% | 0.569 | S | S | * | * | trans | -137.6 | 86 | 178.4 | -71.3 | -172.2 | 177.6 | -175.6 | 0 | 112.4 | ||||
| 282 | H | 33.9 | Very low | 44.6 | Very low | 189 Ų | 189 | 111.3 Ų | 111.3 | 88% | 0.875 | 61% | 0.607 | S | S | * | * | -179 | 119 | 127.3 | -107.4 | -76.4 | 0 | 0 | 0 | 109.7 | |||||
| 283 | D | 32.3 | Very low | 41.8 | Very low | 156 Ų | 156 | 115.5 Ų | 115.5 | 83% | 0.834 | 64% | 0.636 | S | S | * | * | trans | -166.1 | 149.3 | 142.5 | -119.5 | -29.4 | 0 | 0 | 0 | 111.3 | ||||
| 284 | S | 28.5 | Very low | 40 | Very low | 107 Ų | 107 | 111.7 Ų | 111.7 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | trans | 61.8 | 134.1 | -174.1 | 76.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 285 | P | 45.3 | Very low | 39 | Very low | 128 Ų | 128 | 114.2 Ų | 114.2 | 83% | 0.831 | 64% | 0.642 | S | S | * | * | trans | -125.4 | 93.8 | 161.5 | 35.8 | -20 | 0 | 0 | 0 | 111.6 | ||||
| 286 | D | 33.9 | Very low | 38.1 | Very low | 171 Ų | 171 | 118 Ų | 118 | 91% | 0.914 | 66% | 0.662 | S | S | * | * | trans | -157.3 | 159.4 | 146.6 | -125.4 | -33.5 | 0 | 0 | 0 | 111.7 | ||||
| 287 | G | 39.1 | Very low | 37.5 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | trans | -96.5 | 111.8 | -153.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 288 | T | 30.7 | Very low | 36.9 | Very low | 128 Ų | 128 | 125 Ų | 125 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | trans | -144.8 | 124.4 | 143.7 | -43.5 | 0 | 0 | 0 | 0 | 110 | V290 | T288-V290 HydrophobicContact CG2-CG2 4.33Å; T288-V290 PolarHBondContact O-N 3.35Å; T288-V290 VanDerWaalsContact O-N 3.09Å | ||
| 289 | S | 40.7 | Very low | 36.7 | Very low | 128 Ų | 128 | 129 Ų | 129 | 90% | 0.895 | 70% | 0.696 | S | S | * | * | trans | -82.7 | 86.2 | -173.1 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 290 | V | 32.9 | Very low | 37 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -110.7 | 142.2 | 175.9 | -178 | 0 | 0 | 0 | 0 | 111.6 | T288 R292 | T288-V290 HydrophobicContact CG2-CG2 4.33Å; T288-V290 PolarHBondContact O-N 3.35Å; T288-V290 VanDerWaalsContact O-N 3.09Å; V290-R292 PolarHBondContact O-N 3.44Å | ||
| 291 | T | 35.6 | Very low | 37.8 | Very low | 136 Ų | 136 | 129 Ų | 129 | 83% | 0.834 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -63 | 123.5 | -169.4 | -20.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 292 | R | 27.1 | Very low | 39.6 | Very low | 232 Ų | 232 | 124 Ų | 124 | 88% | 0.875 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 123.9 | 167.8 | -94 | -173.5 | 173.6 | 176.8 | 1 | 111.3 | V290 | V290-R292 PolarHBondContact O-N 3.44Š|
| 293 | S | 27.9 | Very low | 42.1 | Very low | 89 Ų | 89 | 120 Ų | 120 | 62% | 0.622 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 147.3 | -177.4 | -40 | 0 | 0 | 0 | 0 | 113.7 | K295 | S293-K295 PolarHBondContact O-N 3.46Å; S293-K295 VanDerWaalsContact O-N 3.15Å |
| 294 | P | 36.1 | Very low | 44.8 | Very low | 50 Ų | 50 | 112.7 Ų | 112.7 | 33% | 0.325 | 61% | 0.614 | S | S | . | * | trans | -85.8 | 85.3 | -174.4 | 34.4 | -36.3 | 0 | 0 | 0 | 113.3 | T986 E987 | P294-T986 HydrophobicContact CB-CG2 4.48Å; P294-T986 WeakPolarHBondContact O-CB 3.45Å; P294-T986 PolarHBondContact O-OG1 2.93Å; P294-E987 HydrophobicContact CG-CB 3.67Å | ||
| 295 | K | 37.5 | Very low | 47.9 | Very low | 158 Ų | 158 | 108.3 Ų | 108.3 | 69% | 0.687 | 58% | 0.583 | S | S | * | * | trans | -72.6 | 149 | 175.5 | -79.2 | -176.2 | 175.5 | -173.9 | 0 | 113.8 | S293 E988 | S293-K295 PolarHBondContact O-N 3.46Å; S293-K295 VanDerWaalsContact O-N 3.15Å; K295-E988 VanDerWaalsContact CG-OE1 3.29Å; K295-E988 WeakPolarHBondContact CG-OE1 3.29Å | ||
| 296 | L | 37.8 | Very low | 50.3 | Low | 86 Ų | 86 | 102.2 Ų | 102.2 | 45% | 0.45 | 54% | 0.543 | S | S | . | . | trans | -28.4 | 133.2 | 177 | -78 | 61.5 | 0 | 0 | 0 | 116.4 | E988 | L296-E988 WeakPolarHBondContact CD1-OE2 3.18Š| ||
| 297 | K | 38.3 | Very low | 53.3 | Low | 101 Ų | 101 | 94.1 Ų | 94.1 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | trans | -131.2 | 98.2 | 152 | -104.7 | -179 | 167.5 | 166.8 | 0 | 111.1 | S277 Q280 N299 | S277-K297 PolarHBondContact O-NZ 3.4Å; Q280-K297 VanDerWaalsContact OE1-CE 3.24Å; K297-N299 PolarHBondContact O-N 2.93Å | ||
| 298 | R | 36.1 | Very low | 56.1 | Low | 141 Ų | 141 | 90.8 Ų | 90.8 | 53% | 0.532 | 47% | 0.466 | S | S | . | . | trans | -78.3 | 103.5 | 153.7 | -69.7 | 178.3 | 79.1 | 176.8 | 16.5 | 106.4 | Q300 E1055 | R298-Q300 PolarHBondContact O-N 2.86Å; R298-E1055 IonicContact CZ-OE1 2.8Å; R298-E1055 IonicContact CZ-OE2 3.7Å; R298-E1055 IonicContact NE-OE1 3.51Å; R298-E1055 IonicContact NE-OE2 2.67Å; R298-E1055 PolarHBondContact NE-OE2 3.27Å; R298-E1055 VanDerWaalsContact NH1-CD 3.32Å; R298-E1055 IonicContact NH1-OE1 2.68Å; R298-E1055 PolarHBondContact NH1-OE1 3.13Å; R298-E1055 IonicContact NH1-OE2 3.47Å; R298-E1055 IonicContact NH2-OE1 2.76Å; R298-E1055 PolarHBondContact NH2-OE1 3.38Å; R298-E1055 IonicContact NH2-OE2 3.54Å; R298-E1055 PolarHBondContact NH2-OE2 2.79Å | ||
| 299 | N | 41.4 | Very low | 59.3 | Low | 119 Ų | 119 | 85.3 Ų | 85.3 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | trans | -71.4 | 84.2 | 172.2 | -72.2 | 0.4 | 0 | 0 | 0 | 109.4 | K297 | K297-N299 PolarHBondContact O-N 2.93Š| ||
| 300 | Q | 52 | Low | 62 | Low | 132 Ų | 132 | 79.3 Ų | 79.3 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | trans | -80.2 | 114.9 | 150.4 | -70.7 | -178.6 | -11.6 | 0 | 0 | 106.3 | R298 Q302 | R298-Q300 PolarHBondContact O-N 2.86Å; Q300-Q302 PolarHBondContact O-N 2.89Å | ||
| 301 | D | 63.8 | Low | 65 | Low | 83 Ų | 83 | 77.3 Ų | 77.3 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | trans | -58.6 | 111.1 | 170.9 | -84.4 | 2.9 | 0 | 0 | 0 | 108.3 | R273 | R273-D301 VanDerWaalsContact CD-OD2 3.29Å; R273-D301 WeakPolarHBondContact CD-OD2 2.91Å; R273-D301 HydrophobicContact CG-CB 4.43Å; R273-D301 IonicContact CZ-OD2 3.67Å; R273-D301 IonicContact NE-OD2 3.58Å; R273-D301 IonicContact NH1-OD2 2.79Å; R273-D301 PolarHBondContact NH1-OD2 2.93Å | ||
| 302 | Q | 79.9 | Confident | 67.8 | Low | 81 Ų | 81 | 71.6 Ų | 71.6 | 38% | 0.379 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 143 | 177.2 | -58.3 | -179.9 | -20.6 | 0 | 0 | 109.5 | G243 S276 Q300 | G243-Q302 PolarHBondContact O-OE1 3.25Å; S276-Q302 WeakPolarHBondContact OG-CB 3.44Å; S276-Q302 PolarHBondContact OG-N 3.21Å; S276-Q302 PolarHBondContact OG-O 3.22Å; Q300-Q302 PolarHBondContact O-N 2.89Å |
| 303 | Y | 86.9 | Confident | 71 | Confident | 104 Ų | 104 | 63.4 Ų | 63.4 | 41% | 0.408 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 131.7 | 175.9 | -67.3 | -92.4 | 0 | 0 | 0 | 109.5 | G243 H244 N246 N247 V305 | G243-Y303 CarbonylContact C-O 3.43Å; G243-Y303 WeakPolarHBondContact CA-O 3.26Å; H244-Y303 PolarHBondContact N-O 2.98Å; H244-Y303 PolarHBondContact O-N 2.91Å; N246-Y303 VanDerWaalsContact CA-CD2 3.49Å; N247-Y303 HydrophobicContact CB-CD1 3.77Å; N247-Y303 HydrophobicContact CB-CE1 4.2Å; N247-Y303 HydrophobicContact CB-CG 4.13Å; Y303-V305 PolarHBondContact O-N 2.77Å |
| 304 | G | 90.1 | Very high | 74 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 131.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q250 Y306 | Q250-G304 WeakPolarHBondContact CG-O 3.27Å; Q250-G304 PolarHBondContact NE2-O 2.99Å; G304-Y306 WeakPolarHBondContact O-CD1 3.35Å |
| 305 | V | 93.6 | Very high | 76.6 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 132.7 | 171 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | L223 G240 H244 L249 Y303 | L223-V305 HydrophobicContact CD2-CG1 3.89Å; G240-V305 PolarHBondContact N-O 3.14Å; H244-V305 HydrophobicContact CB-CG2 3.68Å; L249-V305 HydrophobicContact CB-CB 4.46Å; L249-V305 HydrophobicContact CB-CG1 3.89Å; L249-V305 HydrophobicContact CB-CG2 4.14Å; L249-V305 HydrophobicContact CD1-CG1 4.41Å; L249-V305 HydrophobicContact CD1-CG2 4.1Å; Y303-V305 PolarHBondContact O-N 2.77Å |
| 306 | Y | 95.4 | Very high | 79.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 150.4 | 177.2 | 56.9 | -100.6 | 0 | 0 | 0 | 114.3 | Y238 L249 Q250 Y251 L252 H265 L268 L272 G304 I308 | Y238-Y306 WeakPolarHBondContact O-CA 3.44Å; L249-Y306 PolarHBondContact O-N 2.94Å; Q250-Y306 HydrophobicContact CB-CD1 4.49Å; Q250-Y306 HydrophobicContact CB-CE1 3.89Å; Q250-Y306 HydrophobicContact CB-CE2 3.9Å; Q250-Y306 HydrophobicContact CG-CD1 4.03Å; Q250-Y306 HydrophobicContact CG-CE1 3.51Å; Q250-Y306 HydrophobicContact CG-CE2 4.43Å; Q250-Y306 PolarHBondContact OE1-OH 3.38Å; Y251-Y306 PolarHBondContact N-O 3.44Å; Y251-Y306 WeakPolarHBondContact O-CD2 3.43Å; L252-Y306 HydrophobicContact CB-CE2 4.34Å; H265-Y306 PolarHBondContact CD2-OH 3.08Å; L268-Y306 HydrophobicContact CB-CD1 4.44Å; L268-Y306 HydrophobicContact CB-CE1 3.86Å; L268-Y306 HydrophobicContact CD1-CD1 4.39Å; L268-Y306 HydrophobicContact CD1-CD2 4Å; L268-Y306 HydrophobicContact CD1-CE1 4.03Å; L268-Y306 HydrophobicContact CD1-CE2 3.62Å; L268-Y306 HydrophobicContact CD1-CG 4.36Å; L272-Y306 HydrophobicContact CD1-CD1 3.7Å; L272-Y306 HydrophobicContact CD1-CE1 4.31Å; G304-Y306 WeakPolarHBondContact O-CD1 3.35Å; Y306-I308 HydrophobicContact CD2-CD1 4.27Å; Y306-I308 HydrophobicContact CG-CD1 4.32Å |
| 307 | I | 97.3 | Very high | 81.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 93.3 | 170.2 | -41.9 | 168.1 | 0 | 0 | 0 | 106.1 | L180 M181 T207 F211 L223 G237 Y238 Y251 Y253 | L180-I307 HydrophobicContact CD1-CG2 4.49Å; L180-I307 HydrophobicContact CD2-CD1 4.4Å; M181-I307 HydrophobicContact CE-CG2 4.14Å; T207-I307 HydrophobicContact CG2-CD1 4.47Å; T207-I307 HydrophobicContact CG2-CG2 3.82Å; F211-I307 HydrophobicContact CB-CD1 3.94Å; F211-I307 HydrophobicContact CD2-CD1 3.34Å; F211-I307 HydrophobicContact CD2-CG1 4.17Å; F211-I307 HydrophobicContact CE2-CD1 3.95Å; F211-I307 HydrophobicContact CE2-CG1 4.39Å; F211-I307 HydrophobicContact CG-CD1 3.76Å; L223-I307 HydrophobicContact CD1-CD1 4.05Å; G237-I307 CarbonylContact C-O 3.39Å; G237-I307 VanDerWaalsContact CA-O 3.31Å; G237-I307 WeakPolarHBondContact CA-O 3.49Å; Y238-I307 HydrophobicContact CD2-CD1 4.38Å; Y238-I307 PolarHBondContact N-O 2.9Å; Y238-I307 PolarHBondContact O-N 3.48Å; Y251-I307 HydrophobicContact CD2-CG1 4.28Å; Y251-I307 CarbonylContact O-C 3.56Å; Y251-I307 WeakPolarHBondContact O-CA 3.37Å; Y253-I307 HydrophobicContact CE2-CG2 4.09Å |
| 308 | I | 97.6 | Very high | 84.3 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.5 | -173.7 | -68.8 | 165.8 | 0 | 0 | 0 | 110 | V235 T236 L239 Y251 L252 Y253 L268 Y306 I310 | V235-I308 HydrophobicContact CG1-CG2 3.85Å; T236-I308 WeakPolarHBondContact O-CA 3.46Å; L239-I308 HydrophobicContact CD2-CD1 3.94Å; L239-I308 HydrophobicContact CD2-CG1 4.46Å; Y251-I308 PolarHBondContact O-N 3.43Å; L252-I308 CarbonylContact C-O 3.6Å; L252-I308 WeakPolarHBondContact CA-O 3.45Å; L252-I308 HydrophobicContact CD1-CB 3.98Å; L252-I308 HydrophobicContact CD1-CG2 3.86Å; Y253-I308 WeakPolarHBondContact CD2-O 3.47Å; Y253-I308 PolarHBondContact N-O 3.49Å; L268-I308 HydrophobicContact CD1-CD1 3.8Å; L268-I308 HydrophobicContact CD2-CD1 3.61Å; L268-I308 HydrophobicContact CG-CD1 4.39Å; Y306-I308 HydrophobicContact CD2-CD1 4.27Å; Y306-I308 HydrophobicContact CG-CD1 4.32Å; I308-I310 HydrophobicContact CG2-CG1 4.01Å |
| 309 | N | 97.8 | Very high | 86.8 | Confident | 13 Ų | 13 | 44 Ų | 44 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.2 | 169.3 | -170 | 16.2 | 0 | 0 | 0 | 109.5 | M181 T236 D256 | M181-N309 HydrophobicContact SD-CB 3.86Å; T236-N309 PolarHBondContact N-O 3.46Å; T236-N309 PolarHBondContact O-N 3.43Å; T236-N309 PolarHBondContact OG1-O 3.06Å; D256-N309 PolarHBondContact N-OD1 3.44Å; D256-N309 VanDerWaalsContact N-OD1 3.1Å; D256-N309 PolarHBondContact OD1-ND2 3.12Å |
| 310 | I | 97.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 113.1 | 176.4 | -48.9 | -177.7 | 0 | 0 | 0 | 108.1 | F233 E234 V235 L252 Y253 V254 N255 I264 I308 V336 V340 | F233-I310 HydrophobicContact CD1-CG2 4.47Å; E234-I310 CarbonylContact O-C 3.57Å; E234-I310 WeakPolarHBondContact O-CA 3.24Å; V235-I310 HydrophobicContact CG2-CG1 4.29Å; V235-I310 HydrophobicContact CG2-CG2 4.35Å; L252-I310 HydrophobicContact CD1-CD1 4.24Å; L252-I310 HydrophobicContact CD1-CG1 4.4Å; Y253-I310 PolarHBondContact O-N 3.01Å; V254-I310 CarbonylContact C-O 3.59Å; V254-I310 VanDerWaalsContact CA-O 3.3Å; V254-I310 WeakPolarHBondContact CA-O 3.39Å; V254-I310 HydrophobicContact CG2-CB 4.23Å; N255-I310 PolarHBondContact N-O 2.84Å; I264-I310 HydrophobicContact CD1-CD1 3.88Å; I264-I310 HydrophobicContact CG2-CD1 4.48Å; I308-I310 HydrophobicContact CG2-CG1 4.01Å; I310-V336 HydrophobicContact CD1-CG1 4.22Å; I310-V340 HydrophobicContact CD1-CG2 3.7Å |
| 311 | K | 96.1 | Very high | 90.5 | Very high | 79 Ų | 79 | 38.6 Ų | 38.6 | 34% | 0.343 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 139.5 | 173.7 | -51.1 | -178.6 | -157 | 141 | 0 | 110.4 | E234 N255 | E234-K311 HydrophobicContact CB-CB 4.25Å; E234-K311 PolarHBondContact N-O 3.48Å; E234-K311 PolarHBondContact O-N 3.37Å; E234-K311 IonicContact OE1-NZ 2.81Å; E234-K311 PolarHBondContact OE1-NZ 2.94Å; E234-K311 IonicContact OE2-NZ 3.99Å; N255-K311 VanDerWaalsContact OD1-CA 3.29Å; N255-K311 WeakPolarHBondContact OD1-CA 3.43Å |
| 312 | C | 94.6 | Very high | 91.6 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 11% | 0.108 | 19% | 0.188 | C | C | . | . | trans | -163.5 | 171.9 | 176.7 | 54.2 | 0 | 0 | 0 | 0 | 110.5 | Q232 F233 N255 Y314 E316 | Q232-C312 WeakPolarHBondContact O-CA 3.46Å; Q232-C312 WeakPolarHBondContact O-CB 3.41Å; F233-C312 HydrophobicContact CD1-CB 3.49Å; F233-C312 VanDerWaalsContact CD1-CB 3.49Å; F233-C312 HydrophobicContact CE1-CB 3.65Å; N255-C312 PolarHBondContact ND2-O 3.29Å; N255-C312 PolarHBondContact OD1-N 2.86Å; N255-C312 VanDerWaalsContact OD1-N 3.15Å; N255-C312 PolarHBondContact OD1-O 3.4Å; C312-Y314 PolarHBondContact O-N 3.16Å; C312-E316 HydrophobicContact CB-CG 4.49Å | ||
| 313 | S | 93.6 | Very high | 91.6 | Very high | 60 Ų | 60 | 34.8 Ų | 34.8 | 42% | 0.42 | 18% | 0.182 | S | C | . | . | trans | -59.7 | 137 | 169.4 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | S315 E316 | S313-S315 PolarHBondContact O-N 3.15Å; S313-S315 VanDerWaalsContact O-N 3.14Å; S313-S315 PolarHBondContact OG-N 3.5Å; S313-S315 PolarHBondContact OG-OG 3.09Å; S313-E316 VanDerWaalsContact O-CB 3.32Å; S313-E316 WeakPolarHBondContact O-CB 3.39Å; S313-E316 PolarHBondContact O-N 2.76Å | ||
| 314 | Y | 91.2 | Very high | 91.4 | Very high | 54 Ų | 54 | 30.7 Ų | 30.7 | 21% | 0.212 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -57.6 | -26.1 | 175.3 | -67.7 | -84.3 | 0 | 0 | 0 | 112.6 | E85 N86 L87 K88 N255 C312 E316 Y317 | E85-Y314 CarbonylContact O-C 3.53Å; N86-Y314 WeakPolarHBondContact OD1-CD2 3.42Å; L87-Y314 WeakPolarHBondContact O-CD1 3.32Å; L87-Y314 WeakPolarHBondContact O-CE1 3.32Å; K88-Y314 HydrophobicContact CG-CD2 4.21Å; K88-Y314 HydrophobicContact CG-CE1 4.43Å; K88-Y314 HydrophobicContact CG-CE2 3.63Å; N255-Y314 HydrophobicContact CB-CE1 3.78Å; C312-Y314 PolarHBondContact O-N 3.16Å; Y314-E316 PolarHBondContact O-N 3.48Å; Y314-Y317 WeakPolarHBondContact CD1-OH 3.39Å |
| 315 | S | 90 | Very high | 91.3 | Very high | 42 Ų | 42 | 31.3 Ų | 31.3 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -72.9 | -4.2 | 174.9 | 61.8 | 0 | 0 | 0 | 0 | 114.6 | E85 S313 K331 | E85-S315 PolarHBondContact O-N 2.78Å; S313-S315 PolarHBondContact O-N 3.15Å; S313-S315 VanDerWaalsContact O-N 3.14Å; S313-S315 PolarHBondContact OG-N 3.5Å; S313-S315 PolarHBondContact OG-OG 3.09Å; S315-K331 VanDerWaalsContact O-CD 3.29Å; S315-K331 WeakPolarHBondContact O-CD 3.47Å; S315-K331 WeakPolarHBondContact O-CE 3.27Å; S315-K331 PolarHBondContact O-NZ 2.86Å |
| 316 | E | 92.4 | Very high | 91 | Very high | 31 Ų | 31 | 31.1 Ų | 31.1 | 15% | 0.145 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -83.6 | -13.1 | 178.8 | -68.5 | -66.5 | 123.4 | 0 | 0 | 114 | Q232 F233 C312 S313 Y314 F330 K331 | Q232-E316 HydrophobicContact CG-CG 4.17Å; Q232-E316 PolarHBondContact NE2-OE2 2.87Å; F233-E316 HydrophobicContact CE1-CB 4.1Å; F233-E316 HydrophobicContact CE1-CG 4.26Å; F233-E316 HydrophobicContact CZ-CB 4.26Å; F233-E316 HydrophobicContact CZ-CG 4.24Å; F233-E316 WeakPolarHBondContact CZ-OE2 3.34Å; C312-E316 HydrophobicContact CB-CG 4.49Å; S313-E316 VanDerWaalsContact O-CB 3.32Å; S313-E316 WeakPolarHBondContact O-CB 3.39Å; S313-E316 PolarHBondContact O-N 2.76Å; Y314-E316 PolarHBondContact O-N 3.48Å; E316-F330 WeakPolarHBondContact O-CA 3.24Å; E316-K331 PolarHBondContact O-N 3.33Å |
| 317 | Y | 92.4 | Very high | 90.7 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 146.8 | -173.7 | 64.7 | -75.4 | 0 | 0 | 0 | 113.2 | V254 N255 Y314 I319 V328 E329 F330 | V254-Y317 HydrophobicContact CG1-CD1 4.19Å; V254-Y317 HydrophobicContact CG1-CD2 4.2Å; V254-Y317 HydrophobicContact CG1-CE1 3.81Å; V254-Y317 HydrophobicContact CG1-CE2 3.78Å; V254-Y317 HydrophobicContact CG1-CG 4.41Å; N255-Y317 WeakPolarHBondContact CB-OH 3.33Å; N255-Y317 PolarHBondContact ND2-OH 2.81Å; Y314-Y317 WeakPolarHBondContact CD1-OH 3.39Å; Y317-I319 HydrophobicContact CD2-CG2 3.6Å; Y317-I319 HydrophobicContact CE2-CG2 3.35Å; Y317-V328 HydrophobicContact CD2-CB 4.07Å; Y317-V328 HydrophobicContact CD2-CG1 3.99Å; Y317-V328 HydrophobicContact CE2-CG1 4.37Å; Y317-E329 CarbonylContact C-O 3.52Å; Y317-E329 WeakPolarHBondContact CA-O 3.24Å; Y317-E329 WeakPolarHBondContact CB-O 3.25Å; Y317-F330 HydrophobicContact CD1-CE1 4.26Å; Y317-F330 HydrophobicContact CG-CD1 4.41Å; Y317-F330 HydrophobicContact CG-CE1 4.19Å |
| 318 | D | 90.7 | Very high | 90.4 | Very high | 66 Ų | 66 | 34.6 Ų | 34.6 | 35% | 0.353 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 138.6 | 172.9 | -176.7 | 30.4 | 0 | 0 | 0 | 111.9 | C320 L321 V328 E329 | D318-C320 WeakPolarHBondContact OD1-CB 3.45Å; D318-C320 PolarHBondContact OD1-N 2.6Å; D318-C320 PolarHBondContact OD1-SG 3.32Å; D318-C320 VanDerWaalsContact OD1-SG 3.33Å; D318-L321 WeakPolarHBondContact OD2-CD2 3.45Å; D318-V328 VanDerWaalsContact O-CA 3.29Å; D318-V328 WeakPolarHBondContact O-CA 3.46Å; D318-E329 PolarHBondContact N-O 2.9Å; D318-E329 PolarHBondContact O-N 3.23Å |
| 319 | I | 88.5 | Confident | 90.2 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | trans | -115.9 | 0.3 | 174.4 | 71.2 | 173.9 | 0 | 0 | 0 | 113 | L87 F92 R257 Y317 L321 V328 | L87-I319 HydrophobicContact CB-CD1 3.93Å; L87-I319 HydrophobicContact CD1-CD1 3.76Å; L87-I319 HydrophobicContact CD1-CG1 3.85Å; L87-I319 HydrophobicContact CG-CD1 4.5Å; F92-I319 HydrophobicContact CD1-CD1 4.38Å; F92-I319 HydrophobicContact CE1-CD1 3.63Å; F92-I319 HydrophobicContact CE1-CG1 4.01Å; F92-I319 HydrophobicContact CZ-CD1 4.12Å; F92-I319 HydrophobicContact CZ-CG1 3.97Å; R257-I319 VanDerWaalsContact CZ-CD1 3.48Å; Y317-I319 HydrophobicContact CD2-CG2 3.6Å; Y317-I319 HydrophobicContact CE2-CG2 3.35Å; I319-L321 VanDerWaalsContact C-N 3.3Å; I319-L321 PolarHBondContact O-N 3.26Å; I319-V328 HydrophobicContact CG2-CG1 3.87Å | ||
| 320 | C | 86.2 | Confident | 90 | Very high | 41 Ų | 41 | 39.1 Ų | 39.1 | 28% | 0.277 | 21% | 0.21 | S | C | . | . | trans | -78.1 | -15.8 | -175.7 | -64.2 | 0 | 0 | 0 | 0 | 113.4 | R93 D318 E322 | R93-C320 PolarHBondContact NH1-O 2.94Å; R93-C320 VanDerWaalsContact NH1-O 3.16Å; R93-C320 VanDerWaalsContact NH2-C 3.27Å; R93-C320 PolarHBondContact NH2-O 3.02Å; D318-C320 WeakPolarHBondContact OD1-CB 3.45Å; D318-C320 PolarHBondContact OD1-N 2.6Å; D318-C320 PolarHBondContact OD1-SG 3.32Å; D318-C320 VanDerWaalsContact OD1-SG 3.33Å; C320-E322 PolarHBondContact O-N 2.74Å | ||
| 321 | L | 85.7 | Confident | 89.8 | Confident | 97 Ų | 97 | 46.4 Ų | 46.4 | 51% | 0.508 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -46.4 | -47.7 | -178.2 | -53.8 | 175.3 | 0 | 0 | 0 | 114.5 | D318 I319 E329 | D318-L321 WeakPolarHBondContact OD2-CD2 3.45Å; I319-L321 VanDerWaalsContact C-N 3.3Å; I319-L321 PolarHBondContact O-N 3.26Å; L321-E329 HydrophobicContact CD1-CB 3.81Å |
| 322 | E | 85.7 | Confident | 89.6 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 20% | 0.201 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -133.8 | 150.6 | -179.8 | 64.5 | 160 | -151.6 | 0 | 0 | 113.5 | R93 C320 A324 K325 T326 L327 | R93-E322 VanDerWaalsContact NH2-C 3.33Å; R93-E322 PolarHBondContact NH2-O 3.48Å; C320-E322 PolarHBondContact O-N 2.74Å; E322-A324 VanDerWaalsContact C-N 3.27Å; E322-A324 PolarHBondContact O-N 2.82Å; E322-K325 PolarHBondContact O-N 2.74Å; E322-K325 VanDerWaalsContact O-N 3.15Å; E322-T326 VanDerWaalsContact OE1-CA 3.32Å; E322-T326 WeakPolarHBondContact OE1-CA 3.44Å; E322-T326 WeakPolarHBondContact OE1-CB 3.18Å; E322-T326 PolarHBondContact OE1-N 3.34Å; E322-T326 PolarHBondContact OE1-OG1 2.71Å; E322-L327 HydrophobicContact CG-CB 4.07Å; E322-L327 HydrophobicContact CG-CD1 4.38Å; E322-L327 HydrophobicContact CG-CG 4.24Å; E322-L327 PolarHBondContact OE1-N 3.24Å; E322-L327 WeakPolarHBondContact OE2-CD1 3.31Å |
| 323 | P | 81.3 | Confident | 89.6 | Confident | 40 Ų | 40 | 45.1 Ų | 45.1 | 26% | 0.26 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -32.3 | -179.7 | -23.8 | 34.3 | 0 | 0 | 0 | 114.4 | V17 K325 | V17-P323 HydrophobicContact CG1-CG 3.63Å; V17-P323 WeakPolarHBondContact O-CG 3.2Å; P323-K325 VanDerWaalsContact C-N 3.31Å; P323-K325 VanDerWaalsContact O-CE 3.24Å; P323-K325 WeakPolarHBondContact O-CE 3.41Å |
| 324 | A | 81.4 | Confident | 89.6 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -13.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | E322 T326 | E322-A324 VanDerWaalsContact C-N 3.27Å; E322-A324 PolarHBondContact O-N 2.82Å; A324-T326 VanDerWaalsContact C-N 3.26Å; A324-T326 HydrophobicContact CB-CG2 4.25Å; A324-T326 WeakPolarHBondContact O-CG2 3.42Å; A324-T326 PolarHBondContact O-N 2.82Å |
| 325 | K | 88.5 | Confident | 89.7 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | trans | 55.9 | 28 | 178.8 | -32.6 | 110.9 | -176.1 | -177.3 | 0 | 115.3 | E28 Y90 F92 E322 P323 | E28-K325 IonicContact OE1-NZ 2.8Å; E28-K325 PolarHBondContact OE1-NZ 2.99Å; E28-K325 IonicContact OE2-NZ 3.2Å; E28-K325 PolarHBondContact OE2-NZ 3.11Å; Y90-K325 VanDerWaalsContact O-CE 3.31Å; Y90-K325 WeakPolarHBondContact O-CE 3.19Å; Y90-K325 PolarHBondContact O-NZ 2.66Å; F92-K325 HydrophobicContact CE1-CG 4.26Å; E322-K325 PolarHBondContact O-N 2.74Å; E322-K325 VanDerWaalsContact O-N 3.15Å; P323-K325 VanDerWaalsContact C-N 3.31Å; P323-K325 VanDerWaalsContact O-CE 3.24Å; P323-K325 WeakPolarHBondContact O-CE 3.41Å | ||
| 326 | T | 87.3 | Confident | 90 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | trans | -98.6 | -5.9 | 179.3 | 75.5 | 0 | 0 | 0 | 0 | 114.2 | L259 L260 E322 A324 | L259-T326 WeakPolarHBondContact CA-O 3.37Å; L260-T326 HydrophobicContact CD1-CG2 3.89Å; L260-T326 HydrophobicContact CG-CG2 4.1Å; L260-T326 PolarHBondContact N-O 2.71Å; E322-T326 VanDerWaalsContact OE1-CA 3.32Å; E322-T326 WeakPolarHBondContact OE1-CA 3.44Å; E322-T326 WeakPolarHBondContact OE1-CB 3.18Å; E322-T326 PolarHBondContact OE1-N 3.34Å; E322-T326 PolarHBondContact OE1-OG1 2.71Å; A324-T326 VanDerWaalsContact C-N 3.26Å; A324-T326 HydrophobicContact CB-CG2 4.25Å; A324-T326 WeakPolarHBondContact O-CG2 3.42Å; A324-T326 PolarHBondContact O-N 2.82Å | ||
| 327 | L | 89.2 | Confident | 90.1 | Very high | 67 Ų | 67 | 45.3 Ų | 45.3 | 35% | 0.351 | 23% | 0.227 | S | C | . | . | trans | -107.8 | 140.4 | 166.5 | -58.8 | 176.9 | 0 | 0 | 0 | 109.3 | K261 E322 | K261-L327 HydrophobicContact CB-CD2 4.23Å; K261-L327 VanDerWaalsContact O-CD2 3.27Å; K261-L327 WeakPolarHBondContact O-CD2 3.5Å; E322-L327 HydrophobicContact CG-CB 4.07Å; E322-L327 HydrophobicContact CG-CD1 4.38Å; E322-L327 HydrophobicContact CG-CG 4.24Å; E322-L327 PolarHBondContact OE1-N 3.24Å; E322-L327 WeakPolarHBondContact OE2-CD1 3.31Å | ||
| 328 | V | 91.2 | Very high | 90.3 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | trans | -140.6 | 150.6 | 176.8 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | L259 Y317 D318 I319 F330 | L259-V328 HydrophobicContact CD1-CG2 3.64Å; L259-V328 HydrophobicContact CD2-CG1 3.72Å; L259-V328 HydrophobicContact CD2-CG2 4.15Å; Y317-V328 HydrophobicContact CD2-CB 4.07Å; Y317-V328 HydrophobicContact CD2-CG1 3.99Å; Y317-V328 HydrophobicContact CE2-CG1 4.37Å; D318-V328 VanDerWaalsContact O-CA 3.29Å; D318-V328 WeakPolarHBondContact O-CA 3.46Å; I319-V328 HydrophobicContact CG2-CG1 3.87Å; V328-F330 HydrophobicContact CG2-CD2 4.35Å; V328-F330 HydrophobicContact CG2-CE2 3.82Å; V328-F330 HydrophobicContact CG2-CZ 4.43Å | ||
| 329 | E | 92.7 | Very high | 90.5 | Very high | 100 Ų | 100 | 44.6 Ų | 44.6 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 125.2 | 175.2 | -171.4 | 67 | -167 | 0 | 0 | 109.1 | Y317 D318 L321 W333 | Y317-E329 CarbonylContact C-O 3.52Å; Y317-E329 WeakPolarHBondContact CA-O 3.24Å; Y317-E329 WeakPolarHBondContact CB-O 3.25Å; D318-E329 PolarHBondContact N-O 2.9Å; D318-E329 PolarHBondContact O-N 3.23Å; L321-E329 HydrophobicContact CD1-CB 3.81Å; E329-W333 PolarHBondContact OE1-NE1 3.41Å; E329-W333 WeakPolarHBondContact OE2-CZ2 3.32Å; E329-W333 PolarHBondContact OE2-NE1 2.76Å |
| 330 | F | 93.8 | Very high | 90.9 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 4% | 0.039 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 145.3 | -178 | -74.4 | -89.4 | 0 | 0 | 0 | 111.9 | F233 V254 I264 E316 Y317 V328 D332 W333 V336 | F233-F330 HydrophobicContact CE1-CD1 4.14Å; F233-F330 HydrophobicContact CE1-CE1 4.13Å; V254-F330 HydrophobicContact CG1-CE1 4.37Å; V254-F330 HydrophobicContact CG1-CZ 4.07Å; V254-F330 HydrophobicContact CG2-CE2 4.46Å; V254-F330 HydrophobicContact CG2-CZ 3.79Å; I264-F330 HydrophobicContact CD1-CE2 3.96Å; E316-F330 WeakPolarHBondContact O-CA 3.24Å; Y317-F330 HydrophobicContact CD1-CE1 4.26Å; Y317-F330 HydrophobicContact CG-CD1 4.41Å; Y317-F330 HydrophobicContact CG-CE1 4.19Å; V328-F330 HydrophobicContact CG2-CD2 4.35Å; V328-F330 HydrophobicContact CG2-CE2 3.82Å; V328-F330 HydrophobicContact CG2-CZ 4.43Å; F330-D332 VanDerWaalsContact C-N 3.34Å; F330-D332 PolarHBondContact O-N 2.95Å; F330-W333 HydrophobicContact CB-CD2 4.15Å; F330-W333 HydrophobicContact CB-CE3 4.49Å; F330-W333 HydrophobicContact CB-CG 4.32Å; F330-W333 HydrophobicContact CD2-CD2 4.23Å; F330-W333 AromaticContact CD2-CE3 3.85Å; F330-W333 HydrophobicContact CD2-CE3 3.85Å; F330-W333 AromaticContact CD2-CH2 3.77Å; F330-W333 HydrophobicContact CD2-CH2 3.77Å; F330-W333 HydrophobicContact CD2-CZ2 4.17Å; F330-W333 AromaticContact CD2-CZ3 3.6Å; F330-W333 HydrophobicContact CD2-CZ3 3.6Å; F330-W333 HydrophobicContact CE2-CH2 4.29Å; F330-W333 HydrophobicContact CE2-CZ3 4.06Å; F330-V336 HydrophobicContact CB-CG2 4.34Å; F330-V336 HydrophobicContact CD1-CG2 3.58Å; F330-V336 HydrophobicContact CD2-CG2 4.41Å; F330-V336 HydrophobicContact CE1-CG1 4.43Å; F330-V336 HydrophobicContact CE1-CG2 3.84Å; F330-V336 HydrophobicContact CE2-CG1 4.23Å; F330-V336 HydrophobicContact CG-CG2 3.88Å; F330-V336 HydrophobicContact CZ-CG1 4.15Å; F330-V336 HydrophobicContact CZ-CG2 4.34Å |
| 331 | K | 92.7 | Very high | 91.3 | Very high | 155 Ų | 155 | 43.8 Ų | 43.8 | 67% | 0.674 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -61.1 | -40.2 | 172.2 | -74.7 | -177.8 | 174.7 | 166.5 | 0 | 112.6 | S315 E316 | S315-K331 VanDerWaalsContact O-CD 3.29Å; S315-K331 WeakPolarHBondContact O-CD 3.47Å; S315-K331 WeakPolarHBondContact O-CE 3.27Å; S315-K331 PolarHBondContact O-NZ 2.86Å; E316-K331 PolarHBondContact O-N 3.33Å |
| 332 | D | 93.3 | Very high | 91.7 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 24% | 0.241 | 21% | 0.205 | C | C | . | . | trans | -129.8 | 87 | 175.7 | -168.3 | -39.7 | 0 | 0 | 0 | 109.6 | F330 D334 R335 V336 | F330-D332 VanDerWaalsContact C-N 3.34Å; F330-D332 PolarHBondContact O-N 2.95Å; D332-D334 PolarHBondContact O-N 2.97Å; D332-D334 PolarHBondContact OD1-N 2.82Å; D332-D334 VanDerWaalsContact OD1-N 3.17Å; D332-R335 HydrophobicContact CB-CB 4.46Å; D332-R335 HydrophobicContact CB-CG 4.49Å; D332-R335 WeakPolarHBondContact OD1-CG 3.16Å; D332-R335 PolarHBondContact OD1-N 3.2Å; D332-R335 WeakPolarHBondContact OD2-CD 3.37Å; D332-R335 IonicContact OD2-CZ 3.58Å; D332-R335 IonicContact OD2-NE 3.24Å; D332-R335 PolarHBondContact OD2-NE 2.71Å; D332-R335 IonicContact OD2-NH2 3.97Å; D332-V336 WeakPolarHBondContact O-CG2 3.35Å; D332-V336 PolarHBondContact O-N 3.26Å | ||
| 333 | W | 94.2 | Very high | 92.1 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 8% | 0.083 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.2 | -33.4 | 175.9 | -86.9 | 109.7 | 0 | 0 | 0 | 113.2 | R263 I264 E329 F330 V336 L337 | R263-W333 HydrophobicContact CB-CE3 4.03Å; R263-W333 HydrophobicContact CB-CH2 4.29Å; R263-W333 HydrophobicContact CB-CZ3 3.83Å; R263-W333 HydrophobicContact CG-CE3 4.45Å; R263-W333 HydrophobicContact CG-CH2 4.5Å; R263-W333 HydrophobicContact CG-CZ3 4.4Å; R263-W333 VanDerWaalsContact NH1-CB 3.26Å; R263-W333 VanDerWaalsContact NH1-CD1 3.31Å; I264-W333 HydrophobicContact CD1-CZ3 4.1Å; I264-W333 HydrophobicContact CG1-CZ3 4.16Å; E329-W333 PolarHBondContact OE1-NE1 3.41Å; E329-W333 WeakPolarHBondContact OE2-CZ2 3.32Å; E329-W333 PolarHBondContact OE2-NE1 2.76Å; F330-W333 HydrophobicContact CB-CD2 4.15Å; F330-W333 HydrophobicContact CB-CE3 4.49Å; F330-W333 HydrophobicContact CB-CG 4.32Å; F330-W333 HydrophobicContact CD2-CD2 4.23Å; F330-W333 AromaticContact CD2-CE3 3.85Å; F330-W333 HydrophobicContact CD2-CE3 3.85Å; F330-W333 AromaticContact CD2-CH2 3.77Å; F330-W333 HydrophobicContact CD2-CH2 3.77Å; F330-W333 HydrophobicContact CD2-CZ2 4.17Å; F330-W333 AromaticContact CD2-CZ3 3.6Å; F330-W333 HydrophobicContact CD2-CZ3 3.6Å; F330-W333 HydrophobicContact CE2-CH2 4.29Å; F330-W333 HydrophobicContact CE2-CZ3 4.06Å; W333-V336 PolarHBondContact O-N 2.9Å; W333-L337 HydrophobicContact CB-CD1 4.48Å; W333-L337 WeakPolarHBondContact O-CB 3.48Å; W333-L337 WeakPolarHBondContact O-CG 3.32Å; W333-L337 PolarHBondContact O-N 2.77Å |
| 334 | D | 94 | Very high | 92.7 | Very high | 68 Ų | 68 | 38.2 Ų | 38.2 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -77.7 | -33.5 | -168 | -62.9 | -15.6 | 0 | 0 | 0 | 110.5 | R263 D332 L338 P367 | R263-D334 IonicContact NH2-OD1 3.79Å; R263-D334 PolarHBondContact NH2-OD1 2.87Å; R263-D334 VanDerWaalsContact NH2-OD1 3.15Å; D332-D334 PolarHBondContact O-N 2.97Å; D332-D334 PolarHBondContact OD1-N 2.82Å; D332-D334 VanDerWaalsContact OD1-N 3.17Å; D334-L338 WeakPolarHBondContact O-CB 3.48Å; D334-L338 PolarHBondContact O-N 2.87Å; D334-P367 HydrophobicContact CB-CB 4.41Å |
| 335 | R | 93.3 | Very high | 93.2 | Very high | 95 Ų | 95 | 38.8 Ų | 38.8 | 36% | 0.358 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 166.8 | -72.1 | 178.9 | -150.9 | -143.9 | 0.1 | 112.9 | F233 D332 C339 | F233-R335 HydrophobicContact CD2-CB 3.98Å; F233-R335 HydrophobicContact CE2-CB 3.71Å; D332-R335 HydrophobicContact CB-CB 4.46Å; D332-R335 HydrophobicContact CB-CG 4.49Å; D332-R335 WeakPolarHBondContact OD1-CG 3.16Å; D332-R335 PolarHBondContact OD1-N 3.2Å; D332-R335 WeakPolarHBondContact OD2-CD 3.37Å; D332-R335 IonicContact OD2-CZ 3.58Å; D332-R335 IonicContact OD2-NE 3.24Å; D332-R335 PolarHBondContact OD2-NE 2.71Å; D332-R335 IonicContact OD2-NH2 3.97Å; R335-C339 VanDerWaalsContact O-CB 3.25Å; R335-C339 WeakPolarHBondContact O-CB 3.29Å; R335-C339 PolarHBondContact O-N 2.89Å |
| 336 | V | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -46 | 178.4 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | F233 I264 I310 F330 D332 W333 C339 V340 | F233-V336 HydrophobicContact CD1-CG2 3.72Å; F233-V336 HydrophobicContact CD2-CG2 4.04Å; F233-V336 HydrophobicContact CE1-CG2 3.42Å; F233-V336 VanDerWaalsContact CE1-CG2 3.42Å; F233-V336 HydrophobicContact CE2-CG2 3.73Å; F233-V336 HydrophobicContact CG-CG2 4.06Å; F233-V336 HydrophobicContact CZ-CG2 3.42Å; F233-V336 VanDerWaalsContact CZ-CG2 3.42Å; I264-V336 HydrophobicContact CD1-CG1 3.83Å; I264-V336 HydrophobicContact CG1-CG1 4.17Å; I310-V336 HydrophobicContact CD1-CG1 4.22Å; F330-V336 HydrophobicContact CB-CG2 4.34Å; F330-V336 HydrophobicContact CD1-CG2 3.58Å; F330-V336 HydrophobicContact CD2-CG2 4.41Å; F330-V336 HydrophobicContact CE1-CG1 4.43Å; F330-V336 HydrophobicContact CE1-CG2 3.84Å; F330-V336 HydrophobicContact CE2-CG1 4.23Å; F330-V336 HydrophobicContact CG-CG2 3.88Å; F330-V336 HydrophobicContact CZ-CG1 4.15Å; F330-V336 HydrophobicContact CZ-CG2 4.34Å; D332-V336 WeakPolarHBondContact O-CG2 3.35Å; D332-V336 PolarHBondContact O-N 3.26Å; W333-V336 PolarHBondContact O-N 2.9Å; V336-C339 PolarHBondContact O-N 3.35Å; V336-V340 WeakPolarHBondContact O-CG2 3.13Å; V336-V340 PolarHBondContact O-N 2.76Å |
| 337 | L | 95.6 | Very high | 93.6 | Very high | 28 Ų | 28 | 39.9 Ų | 39.9 | 15% | 0.147 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 178.5 | -68.6 | 168.3 | 0 | 0 | 0 | 111.1 | R263 I264 L267 W333 C339 V340 E341 | R263-L337 HydrophobicContact CB-CD1 4.36Å; R263-L337 HydrophobicContact CB-CD2 4.17Å; I264-L337 HydrophobicContact CG1-CD2 4.03Å; L267-L337 HydrophobicContact CB-CD2 4.12Å; L267-L337 HydrophobicContact CD2-CB 4.05Å; L267-L337 HydrophobicContact CD2-CD2 3.7Å; L267-L337 HydrophobicContact CD2-CG 4.49Å; L267-L337 VanDerWaalsContact CD2-O 3.28Å; L267-L337 WeakPolarHBondContact CD2-O 3.23Å; W333-L337 HydrophobicContact CB-CD1 4.48Å; W333-L337 WeakPolarHBondContact O-CB 3.48Å; W333-L337 WeakPolarHBondContact O-CG 3.32Å; W333-L337 PolarHBondContact O-N 2.77Å; L337-C339 PolarHBondContact O-N 3.18Å; L337-V340 PolarHBondContact O-N 3.1Å; L337-E341 VanDerWaalsContact O-CB 3.29Å; L337-E341 WeakPolarHBondContact O-CB 3.49Å; L337-E341 PolarHBondContact O-N 3.06Å |
| 338 | L | 94.8 | Very high | 93.6 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 36% | 0.356 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 173.6 | 180 | 63.6 | 0 | 0 | 0 | 111.9 | D334 V340 E341 E342 | D334-L338 WeakPolarHBondContact O-CB 3.48Å; D334-L338 PolarHBondContact O-N 2.87Å; L338-V340 PolarHBondContact O-N 3.08Å; L338-E341 PolarHBondContact O-N 2.82Å; L338-E342 HydrophobicContact CD1-CG 4.07Å; L338-E342 HydrophobicContact CG-CG 4.35Å; L338-E342 WeakPolarHBondContact O-CB 3.41Å; L338-E342 WeakPolarHBondContact O-CG 3.42Å; L338-E342 PolarHBondContact O-N 3.26Å |
| 339 | C | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 177.6 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | H228 H230 F233 V235 R335 V336 L337 A343 | H228-C339 PolarHBondContact CD2-O 3.11Å; H230-C339 HydrophobicContact CB-CB 3.75Å; H230-C339 VanDerWaalsContact CB-SG 3.53Å; F233-C339 HydrophobicContact CB-CB 4.18Å; F233-C339 PolarHBondContact O-SG 3.35Å; V235-C339 HydrophobicContact CG2-CB 4.35Å; V235-C339 VanDerWaalsContact CG2-SG 3.55Å; R335-C339 VanDerWaalsContact O-CB 3.25Å; R335-C339 WeakPolarHBondContact O-CB 3.29Å; R335-C339 PolarHBondContact O-N 2.89Å; V336-C339 PolarHBondContact O-N 3.35Å; L337-C339 PolarHBondContact O-N 3.18Å; C339-A343 VanDerWaalsContact O-CB 3.23Å; C339-A343 WeakPolarHBondContact O-CB 3.41Å; C339-A343 PolarHBondContact O-N 3.32Å |
| 340 | V | 96.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67 | -40.2 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111.3 | V235 I264 L267 L268 I310 V336 L337 L338 A343 V344 | V235-V340 HydrophobicContact CG2-CG2 3.87Å; I264-V340 HydrophobicContact CG2-CG1 4.23Å; I264-V340 HydrophobicContact CG2-CG2 4.17Å; L267-V340 HydrophobicContact CD2-CB 4.23Å; L267-V340 HydrophobicContact CD2-CG1 4.17Å; L268-V340 HydrophobicContact CD2-CG1 3.68Å; L268-V340 HydrophobicContact CG-CG1 4.15Å; I310-V340 HydrophobicContact CD1-CG2 3.7Å; V336-V340 WeakPolarHBondContact O-CG2 3.13Å; V336-V340 PolarHBondContact O-N 2.76Å; L337-V340 PolarHBondContact O-N 3.1Å; L338-V340 PolarHBondContact O-N 3.08Å; V340-A343 PolarHBondContact O-N 3.17Å; V340-V344 HydrophobicContact CG1-CG2 4.29Å; V340-V344 WeakPolarHBondContact O-CB 3.33Å; V340-V344 WeakPolarHBondContact O-CG2 3.28Å; V340-V344 PolarHBondContact O-N 2.96Å |
| 341 | E | 94.7 | Very high | 92.9 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 178.3 | -175.4 | 178.1 | -164.3 | 0 | 0 | 112.2 | L267 L271 L337 L338 K345 | L267-E341 HydrophobicContact CD2-CB 4.26Å; L271-E341 HydrophobicContact CD1-CB 4.29Å; L271-E341 HydrophobicContact CD1-CG 4.13Å; L271-E341 HydrophobicContact CD2-CG 4.36Å; L337-E341 VanDerWaalsContact O-CB 3.29Å; L337-E341 WeakPolarHBondContact O-CB 3.49Å; L337-E341 PolarHBondContact O-N 3.06Å; L338-E341 PolarHBondContact O-N 2.82Å; E341-K345 HydrophobicContact CG-CD 3.99Å; E341-K345 HydrophobicContact CG-CG 4.49Å; E341-K345 VanDerWaalsContact O-CB 3.28Å; E341-K345 WeakPolarHBondContact O-CB 3.45Å; E341-K345 VanDerWaalsContact O-CG 3.27Å; E341-K345 WeakPolarHBondContact O-CG 3.11Å; E341-K345 PolarHBondContact O-N 3.47Å; E341-K345 WeakPolarHBondContact OE1-CE 3.31Å; E341-K345 IonicContact OE1-NZ 3.89Å; E341-K345 PolarHBondContact OE1-NZ 2.99Å |
| 342 | E | 93.9 | Very high | 92.4 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 29% | 0.29 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.3 | -46.2 | 174.1 | -75.1 | 178 | 176.4 | 0 | 0 | 111.3 | H228 H230 L338 V344 K345 A346 | H228-E342 IonicContact CD2-OE2 2.67Å; H228-E342 IonicContact CE1-OE2 2.75Å; H228-E342 VanDerWaalsContact NE2-CB 3.32Å; H228-E342 WeakPolarHBondContact NE2-CB 3.39Å; H228-E342 IonicContact NE2-OE2 3.68Å; H228-E342 PolarHBondContact NE2-OE2 3.07Å; H230-E342 IonicContact CE1-OE1 3.15Å; H230-E342 PolarHBondContact CE1-OE1 3.11Å; H230-E342 IonicContact CE1-OE2 2.71Å; H230-E342 IonicContact CG-OE2 3.47Å; H230-E342 VanDerWaalsContact ND1-CD 3.33Å; H230-E342 IonicContact ND1-OE1 2.72Å; H230-E342 PolarHBondContact ND1-OE1 3Å; H230-E342 IonicContact ND1-OE2 2.69Å; H230-E342 PolarHBondContact ND1-OE2 3.05Å; L338-E342 HydrophobicContact CD1-CG 4.07Å; L338-E342 HydrophobicContact CG-CG 4.35Å; L338-E342 WeakPolarHBondContact O-CB 3.41Å; L338-E342 WeakPolarHBondContact O-CG 3.42Å; L338-E342 PolarHBondContact O-N 3.26Å; E342-V344 PolarHBondContact O-N 3.33Å; E342-K345 PolarHBondContact O-N 2.95Å; E342-A346 VanDerWaalsContact O-CB 3.29Å; E342-A346 WeakPolarHBondContact O-CB 3.28Å; E342-A346 PolarHBondContact O-N 3.32Å |
| 343 | A | 95.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I226 H228 V235 C339 V340 A346 F347 | I226-A343 HydrophobicContact CD1-CB 3.72Å; I226-A343 WeakPolarHBondContact CD1-O 3.12Å; I226-A343 HydrophobicContact CG1-CB 4.1Å; H228-A343 HydrophobicContact CB-CB 3.49Å; H228-A343 VanDerWaalsContact CB-CB 3.49Å; V235-A343 HydrophobicContact CB-CB 4.13Å; V235-A343 HydrophobicContact CG1-CB 3.89Å; C339-A343 VanDerWaalsContact O-CB 3.23Å; C339-A343 WeakPolarHBondContact O-CB 3.41Å; C339-A343 PolarHBondContact O-N 3.32Å; V340-A343 PolarHBondContact O-N 3.17Å; A343-A346 PolarHBondContact O-N 3.16Å; A343-F347 PolarHBondContact O-N 3.47Å |
| 344 | V | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.5 | -43.2 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | I226 L239 L268 L271 L272 V340 E342 A346 F347 L348 | I226-V344 HydrophobicContact CD1-CG2 4.34Å; L239-V344 HydrophobicContact CD1-CG1 4.48Å; L239-V344 HydrophobicContact CD1-CG2 4.13Å; L268-V344 HydrophobicContact CD2-CG2 3.76Å; L271-V344 HydrophobicContact CB-CG1 3.89Å; L271-V344 HydrophobicContact CD1-CB 3.99Å; L271-V344 HydrophobicContact CD1-CG1 3.97Å; L271-V344 HydrophobicContact CD1-CG2 4.37Å; L272-V344 HydrophobicContact CD2-CG1 3.93Å; V340-V344 HydrophobicContact CG1-CG2 4.29Å; V340-V344 WeakPolarHBondContact O-CB 3.33Å; V340-V344 WeakPolarHBondContact O-CG2 3.28Å; V340-V344 PolarHBondContact O-N 2.96Å; E342-V344 PolarHBondContact O-N 3.33Å; V344-A346 VanDerWaalsContact C-N 3.32Å; V344-A346 PolarHBondContact O-N 2.95Å; V344-F347 PolarHBondContact O-N 3.48Å; V344-L348 HydrophobicContact CG1-CD1 3.84Å; V344-L348 HydrophobicContact CG1-CG 4.21Å; V344-L348 WeakPolarHBondContact O-CB 3.37Å; V344-L348 VanDerWaalsContact O-CG 3.24Å; V344-L348 WeakPolarHBondContact O-CG 3.21Å; V344-L348 PolarHBondContact O-N 3.36Å |
| 345 | K | 91.1 | Very high | 87.6 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 14% | 0.135 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.5 | -36.3 | 175.8 | -75.8 | 177.6 | -177.9 | 173.9 | 0 | 112.2 | E341 E342 R349 F357 | E341-K345 HydrophobicContact CG-CD 3.99Å; E341-K345 HydrophobicContact CG-CG 4.49Å; E341-K345 VanDerWaalsContact O-CB 3.28Å; E341-K345 WeakPolarHBondContact O-CB 3.45Å; E341-K345 VanDerWaalsContact O-CG 3.27Å; E341-K345 WeakPolarHBondContact O-CG 3.11Å; E341-K345 PolarHBondContact O-N 3.47Å; E341-K345 WeakPolarHBondContact OE1-CE 3.31Å; E341-K345 IonicContact OE1-NZ 3.89Å; E341-K345 PolarHBondContact OE1-NZ 2.99Å; E342-K345 PolarHBondContact O-N 2.95Å; K345-R349 WeakPolarHBondContact O-CB 3.4Å; K345-R349 WeakPolarHBondContact O-CD 3.27Å; K345-R349 WeakPolarHBondContact O-CG 3.17Å; K345-R349 PolarHBondContact O-N 2.83Å; K345-R349 VanDerWaalsContact O-N 3.11Å; K345-F357 HydrophobicContact CD-CZ 4.36Å; K345-F357 HydrophobicContact CG-CE2 4.33Å; K345-F357 HydrophobicContact CG-CZ 4Å |
| 346 | A | 91.2 | Very high | 85.2 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 36% | 0.355 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.9 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E342 A343 V344 R349 R350 | E342-A346 VanDerWaalsContact O-CB 3.29Å; E342-A346 WeakPolarHBondContact O-CB 3.28Å; E342-A346 PolarHBondContact O-N 3.32Å; A343-A346 PolarHBondContact O-N 3.16Å; V344-A346 VanDerWaalsContact C-N 3.32Å; V344-A346 PolarHBondContact O-N 2.95Å; A346-R349 PolarHBondContact O-N 3.43Å; A346-R350 WeakPolarHBondContact O-CB 3.29Å; A346-R350 PolarHBondContact O-N 3.48Å |
| 347 | F | 93 | Very high | 82.9 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.8 | -53.1 | 173.8 | 176.4 | -94.6 | 0 | 0 | 0 | 112.1 | G224 I226 L239 K241 A343 V344 R349 R350 E351 L353 | G224-F347 WeakPolarHBondContact O-CE2 3.45Å; I226-F347 HydrophobicContact CB-CD2 4.49Å; I226-F347 HydrophobicContact CD1-CB 4.25Å; L239-F347 HydrophobicContact CB-CD1 3.9Å; L239-F347 HydrophobicContact CB-CD2 4.31Å; L239-F347 HydrophobicContact CB-CE1 3.55Å; L239-F347 HydrophobicContact CB-CE2 4.01Å; L239-F347 HydrophobicContact CB-CG 4.26Å; L239-F347 HydrophobicContact CB-CZ 3.61Å; L239-F347 HydrophobicContact CD1-CB 3.91Å; L239-F347 HydrophobicContact CD1-CD1 3.46Å; L239-F347 VanDerWaalsContact CD1-CD1 3.46Å; L239-F347 HydrophobicContact CD1-CD2 4.32Å; L239-F347 HydrophobicContact CD1-CE1 4.02Å; L239-F347 HydrophobicContact CD1-CG 3.63Å; L239-F347 HydrophobicContact CG-CD1 4.32Å; L239-F347 HydrophobicContact CG-CE1 4.44Å; L239-F347 HydrophobicContact CG-CG 4.48Å; K241-F347 HydrophobicContact CG-CZ 4.35Å; A343-F347 PolarHBondContact O-N 3.47Å; V344-F347 PolarHBondContact O-N 3.48Å; F347-R349 VanDerWaalsContact C-N 3.28Å; F347-R349 PolarHBondContact O-N 3.05Å; F347-R350 PolarHBondContact O-N 3.19Å; F347-E351 HydrophobicContact CD1-CG 4.32Å; F347-E351 HydrophobicContact CD2-CG 4.17Å; F347-E351 HydrophobicContact CE1-CG 3.95Å; F347-E351 HydrophobicContact CE2-CG 3.76Å; F347-E351 HydrophobicContact CG-CG 4.43Å; F347-E351 HydrophobicContact CZ-CG 3.65Å; F347-E351 WeakPolarHBondContact O-CG 3.43Å; F347-E351 PolarHBondContact O-N 3.25Å; F347-L353 HydrophobicContact CE1-CD1 4.37Å |
| 348 | L | 89.4 | Confident | 80.4 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.1 | -39.9 | -178.9 | -68.9 | 172.4 | 0 | 0 | 0 | 111.9 | L275 V344 N352 L353 V354 | L275-L348 HydrophobicContact CD1-CD2 4.46Å; L275-L348 HydrophobicContact CD2-CD2 3.42Å; L275-L348 VanDerWaalsContact CD2-CD2 3.42Å; L275-L348 HydrophobicContact CG-CD2 4.07Å; V344-L348 HydrophobicContact CG1-CD1 3.84Å; V344-L348 HydrophobicContact CG1-CG 4.21Å; V344-L348 WeakPolarHBondContact O-CB 3.37Å; V344-L348 VanDerWaalsContact O-CG 3.24Å; V344-L348 WeakPolarHBondContact O-CG 3.21Å; V344-L348 PolarHBondContact O-N 3.36Å; L348-N352 PolarHBondContact O-N 2.98Å; L348-L353 HydrophobicContact CD2-CB 3.97Å; L348-L353 HydrophobicContact CD2-CD1 4.37Å; L348-L353 PolarHBondContact O-N 3.46Å; L348-V354 HydrophobicContact CB-CG2 3.64Å |
| 349 | R | 88.5 | Confident | 77.8 | Confident | 154 Ų | 154 | 59.4 Ų | 59.4 | 58% | 0.581 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.7 | -46.9 | 173.8 | -71.8 | 166.4 | -173.1 | 146.3 | -2.7 | 111.7 | K345 A346 F347 E351 N352 V354 | K345-R349 WeakPolarHBondContact O-CB 3.4Å; K345-R349 WeakPolarHBondContact O-CD 3.27Å; K345-R349 WeakPolarHBondContact O-CG 3.17Å; K345-R349 PolarHBondContact O-N 2.83Å; K345-R349 VanDerWaalsContact O-N 3.11Å; A346-R349 PolarHBondContact O-N 3.43Å; F347-R349 VanDerWaalsContact C-N 3.28Å; F347-R349 PolarHBondContact O-N 3.05Å; R349-E351 VanDerWaalsContact C-N 3.34Å; R349-E351 PolarHBondContact O-N 3.4Å; R349-N352 PolarHBondContact O-N 2.96Å; R349-N352 VanDerWaalsContact O-N 3.1Å; R349-V354 HydrophobicContact CG-CG2 4.07Å |
| 350 | R | 88.7 | Confident | 75.3 | Confident | 135 Ų | 135 | 67.1 Ų | 67.1 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | -177.7 | -169.6 | -170.3 | 71.3 | -153.6 | -1.4 | 112.5 | E225 A346 F347 N352 | E225-R350 VanDerWaalsContact O-CZ 3.27Å; E225-R350 PolarHBondContact O-NH1 2.82Å; E225-R350 PolarHBondContact O-NH2 3.45Å; A346-R350 WeakPolarHBondContact O-CB 3.29Å; A346-R350 PolarHBondContact O-N 3.48Å; F347-R350 PolarHBondContact O-N 3.19Å; R350-N352 VanDerWaalsContact C-N 3.27Å; R350-N352 PolarHBondContact O-N 3.2Å |
| 351 | E | 85.6 | Confident | 73 | Confident | 44 Ų | 44 | 69.5 Ų | 69.5 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3.9 | 177.8 | -53.8 | -58.4 | 133.3 | 0 | 0 | 113.2 | K241 F347 R349 L353 | K241-E351 WeakPolarHBondContact CE-OE2 3.44Å; K241-E351 IonicContact NZ-OE2 2.7Å; K241-E351 PolarHBondContact NZ-OE2 3.06Å; F347-E351 HydrophobicContact CD1-CG 4.32Å; F347-E351 HydrophobicContact CD2-CG 4.17Å; F347-E351 HydrophobicContact CE1-CG 3.95Å; F347-E351 HydrophobicContact CE2-CG 3.76Å; F347-E351 HydrophobicContact CG-CG 4.43Å; F347-E351 HydrophobicContact CZ-CG 3.65Å; F347-E351 WeakPolarHBondContact O-CG 3.43Å; F347-E351 PolarHBondContact O-N 3.25Å; R349-E351 VanDerWaalsContact C-N 3.34Å; R349-E351 PolarHBondContact O-N 3.4Å; E351-L353 VanDerWaalsContact C-N 3.26Å; E351-L353 HydrophobicContact CB-CD1 3.58Å; E351-L353 HydrophobicContact CB-CG 3.73Å; E351-L353 HydrophobicContact CG-CD1 4.32Å; E351-L353 PolarHBondContact O-N 3.4Å |
| 352 | N | 81.5 | Confident | 70.8 | Confident | 143 Ų | 143 | 70.9 Ų | 70.9 | 77% | 0.765 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 27.4 | -175.8 | -57.2 | -72.4 | 0 | 0 | 0 | 115.2 | L348 R349 R350 V354 | L348-N352 PolarHBondContact O-N 2.98Å; R349-N352 PolarHBondContact O-N 2.96Å; R349-N352 VanDerWaalsContact O-N 3.1Å; R350-N352 VanDerWaalsContact C-N 3.27Å; R350-N352 PolarHBondContact O-N 3.2Å; N352-V354 VanDerWaalsContact C-N 3.28Å; N352-V354 PolarHBondContact O-N 2.78Å |
| 353 | L | 77.8 | Confident | 68.2 | Low | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.131 | 37% | 0.369 | C | S | . | . | trans | -88.7 | 14.9 | -176.6 | -58 | 171.5 | 0 | 0 | 0 | 113.3 | K241 L275 N279 F347 L348 E351 | K241-L353 HydrophobicContact CB-CD1 4.29Å; L275-L353 HydrophobicContact CD2-CB 3.82Å; L275-L353 HydrophobicContact CD2-CD1 3.61Å; L275-L353 HydrophobicContact CD2-CG 4.18Å; N279-L353 WeakPolarHBondContact OD1-CD2 3.34Å; F347-L353 HydrophobicContact CE1-CD1 4.37Å; L348-L353 HydrophobicContact CD2-CB 3.97Å; L348-L353 HydrophobicContact CD2-CD1 4.37Å; L348-L353 PolarHBondContact O-N 3.46Å; E351-L353 VanDerWaalsContact C-N 3.26Å; E351-L353 HydrophobicContact CB-CD1 3.58Å; E351-L353 HydrophobicContact CB-CG 3.73Å; E351-L353 HydrophobicContact CG-CD1 4.32Å; E351-L353 PolarHBondContact O-N 3.4Å | ||
| 354 | V | 62.5 | Low | 65.6 | Low | 60 Ų | 60 | 78.1 Ų | 78.1 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -103.4 | 120.5 | -174.7 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | L348 R349 N352 F357 | L348-V354 HydrophobicContact CB-CG2 3.64Å; R349-V354 HydrophobicContact CG-CG2 4.07Å; N352-V354 VanDerWaalsContact C-N 3.28Å; N352-V354 PolarHBondContact O-N 2.78Å; V354-F357 HydrophobicContact CG1-CE2 4.45Å |
| 355 | S | 42.2 | Very low | 63.1 | Low | 75 Ų | 75 | 80.1 Ų | 80.1 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 154.5 | 147.5 | 38.6 | 0 | 0 | 0 | 0 | 109 | F357 | S355-F357 PolarHBondContact O-N 3.05Š|
| 356 | L | 41.4 | Very low | 60.3 | Low | 164 Ų | 164 | 80.7 Ų | 80.7 | 86% | 0.859 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 130.5 | -171.4 | -68.4 | 166.1 | 0 | 0 | 0 | 112.2 | S358 | L356-S358 PolarHBondContact O-N 2.99Š|
| 357 | F | 46.6 | Very low | 57.7 | Low | 75 Ų | 75 | 82.1 Ų | 82.1 | 33% | 0.329 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 128.9 | 165.5 | -65.5 | -92.2 | 0 | 0 | 0 | 108.2 | L271 K345 V354 S355 | L271-F357 HydrophobicContact CD2-CE1 4.49Å; K345-F357 HydrophobicContact CD-CZ 4.36Å; K345-F357 HydrophobicContact CG-CE2 4.33Å; K345-F357 HydrophobicContact CG-CZ 4Å; V354-F357 HydrophobicContact CG1-CE2 4.45Å; S355-F357 PolarHBondContact O-N 3.05Å |
| 358 | S | 43.3 | Very low | 54.6 | Low | 48 Ų | 48 | 90.5 Ų | 90.5 | 34% | 0.336 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 157.7 | 168.7 | 76.7 | 0 | 0 | 0 | 0 | 109.1 | L356 E360 D361 | L356-S358 PolarHBondContact O-N 2.99Å; S358-E360 PolarHBondContact O-N 3.08Å; S358-D361 PolarHBondContact N-OD2 2.83Å; S358-D361 VanDerWaalsContact N-OD2 3.11Å; S358-D361 PolarHBondContact O-N 3.23Å; S358-D361 PolarHBondContact OG-N 3.04Å; S358-D361 PolarHBondContact OG-OD2 3.37Å |
| 359 | Q | 41.1 | Very low | 51.9 | Low | 142 Ų | 142 | 95 Ų | 95 | 66% | 0.664 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.5 | -36.1 | 178.9 | -158.4 | 70.7 | 16.2 | 0 | 0 | 111.3 | D361 L362 | Q359-D361 VanDerWaalsContact C-N 3.29Å; Q359-D361 PolarHBondContact O-N 3.06Å; Q359-L362 WeakPolarHBondContact O-CB 3.46Å; Q359-L362 PolarHBondContact O-N 3.29Å; Q359-L362 VanDerWaalsContact O-N 3.07Å |
| 360 | E | 43.6 | Very low | 49.3 | Very low | 162 Ų | 162 | 95.3 Ų | 95.3 | 76% | 0.757 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -28.6 | -180 | -58.6 | 172.3 | 168.2 | 0 | 0 | 113.1 | S358 L362 | S358-E360 PolarHBondContact O-N 3.08Å; E360-L362 VanDerWaalsContact C-N 3.31Å |
| 361 | D | 47.4 | Very low | 46.3 | Very low | 52 Ų | 52 | 93.6 Ų | 93.6 | 28% | 0.278 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.1 | -29.6 | 174.4 | -64.8 | -58.8 | 0 | 0 | 0 | 112.5 | R274 S358 Q359 | R274-D361 IonicContact CZ-OD1 3.44Å; R274-D361 IonicContact CZ-OD2 3.73Å; R274-D361 IonicContact NH1-OD1 3.39Å; R274-D361 IonicContact NH1-OD2 2.76Å; R274-D361 PolarHBondContact NH1-OD2 2.61Å; R274-D361 IonicContact NH2-OD1 3.53Å; R274-D361 PolarHBondContact NH2-OD1 3.17Å; R274-D361 IonicContact NH2-OD2 2.77Å; R274-D361 PolarHBondContact NH2-OD2 2.82Å; S358-D361 PolarHBondContact N-OD2 2.83Å; S358-D361 VanDerWaalsContact N-OD2 3.11Å; S358-D361 PolarHBondContact O-N 3.23Å; S358-D361 PolarHBondContact OG-N 3.04Å; S358-D361 PolarHBondContact OG-OD2 3.37Å; Q359-D361 VanDerWaalsContact C-N 3.29Å; Q359-D361 PolarHBondContact O-N 3.06Å |
| 362 | L | 49.1 | Very low | 43.5 | Very low | 57 Ų | 57 | 98 Ų | 98 | 30% | 0.298 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -78.8 | -30.9 | -175.1 | -70.2 | 163.8 | 0 | 0 | 0 | 112.1 | Q359 E360 C364 V365 S366 | Q359-L362 WeakPolarHBondContact O-CB 3.46Å; Q359-L362 PolarHBondContact O-N 3.29Å; Q359-L362 VanDerWaalsContact O-N 3.07Å; E360-L362 VanDerWaalsContact C-N 3.31Å; L362-C364 PolarHBondContact O-N 2.93Å; L362-V365 CarbonylContact O-C 3.57Å; L362-V365 PolarHBondContact O-N 2.8Å; L362-S366 PolarHBondContact O-N 2.78Å |
| 363 | D | 39.5 | Very low | 40.9 | Very low | 108 Ų | 108 | 99.9 Ų | 99.9 | 58% | 0.578 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.1 | -29 | 178.1 | -68.2 | -34.5 | 0 | 0 | 0 | 111.9 | V365 S366 | D363-V365 PolarHBondContact O-N 3.34Å; D363-S366 PolarHBondContact O-OG 2.75Å |
| 364 | C | 41.2 | Very low | 38.4 | Very low | 109 Ų | 109 | 110.5 Ų | 110.5 | 74% | 0.736 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -15.6 | 171.4 | -169.9 | 0 | 0 | 0 | 0 | 114 | L362 | L362-C364 PolarHBondContact O-N 2.93Š|
| 365 | V | 41.1 | Very low | 36.7 | Very low | 41 Ų | 41 | 113.5 Ų | 113.5 | 25% | 0.248 | 60% | 0.599 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -115.5 | -12.4 | -174.3 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | L267 L362 D363 | L267-V365 HydrophobicContact CD1-CG1 3.86Å; L362-V365 CarbonylContact O-C 3.57Å; L362-V365 PolarHBondContact O-N 2.8Å; D363-V365 PolarHBondContact O-N 3.34Å |
| 366 | S | 30.8 | Very low | 36.1 | Very low | 43 Ų | 43 | 116.2 Ų | 116.2 | 30% | 0.301 | 61% | 0.608 | S | S | . | * | trans | -58.2 | 131.8 | -176.2 | 77.6 | 0 | 0 | 0 | 0 | 112.8 | L362 D363 K368 | L362-S366 PolarHBondContact O-N 2.78Å; D363-S366 PolarHBondContact O-OG 2.75Å; S366-K368 PolarHBondContact O-N 2.89Å | ||
| 367 | P | 37 | Very low | 35.4 | Very low | 73 Ų | 73 | 116.9 Ų | 116.9 | 47% | 0.474 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -61 | -21.4 | -174.8 | -28.4 | 35.6 | 0 | 0 | 0 | 115.7 | D334 V369 | D334-P367 HydrophobicContact CB-CB 4.41Å; P367-V369 PolarHBondContact O-N 3.45Å; P367-V369 VanDerWaalsContact O-N 3.17Å |
| 368 | K | 29.2 | Very low | 34.5 | Very low | 180 Ų | 180 | 121.8 Ų | 121.8 | 78% | 0.783 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -68.2 | -16.8 | -169.2 | -67.2 | -175.8 | 175.3 | -178.8 | 0 | 114.9 | S366 F370 S371 | S366-K368 PolarHBondContact O-N 2.89Å; K368-F370 VanDerWaalsContact C-N 3.27Å; K368-F370 PolarHBondContact O-N 3.23Å; K368-S371 PolarHBondContact O-OG 3.22Å |
| 369 | V | 31.8 | Very low | 33.5 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 63% | 0.63 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -75.1 | -12.6 | -174.3 | -172.7 | 0 | 0 | 0 | 0 | 113 | P367 | P367-V369 PolarHBondContact O-N 3.45Å; P367-V369 VanDerWaalsContact O-N 3.17Å |
| 370 | F | 34.7 | Very low | 32.6 | Very low | 161 Ų | 161 | 128.3 Ų | 128.3 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | trans | -104 | 48 | 177.9 | -68.3 | -76.3 | 0 | 0 | 0 | 113.5 | K368 | K368-F370 VanDerWaalsContact C-N 3.27Å; K368-F370 PolarHBondContact O-N 3.23Å | ||
| 371 | S | 24.6 | Very low | 31.7 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 70% | 0.699 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 116.2 | 171 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | K368 | K368-S371 PolarHBondContact O-OG 3.22Š|
| 372 | T | 27.3 | Very low | 30.6 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 83% | 0.828 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 128.6 | 174.7 | -47 | 0 | 0 | 0 | 0 | 110.6 | R374 | T372-R374 PolarHBondContact O-N 3.18Š|
| 373 | E | 26.6 | Very low | 29.4 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 127.7 | 177.4 | -64.1 | 179.4 | 145.6 | 0 | 0 | 111.5 | ||
| 374 | R | 25.7 | Very low | 28.5 | Very low | 248 Ų | 248 | 136.1 Ų | 136.1 | 94% | 0.936 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 135.2 | 158.9 | -77.4 | -173.9 | 174 | -177.4 | -1 | 108.6 | T372 | T372-R374 PolarHBondContact O-N 3.18Š|
| 375 | T | 26.3 | Very low | 27.7 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 172.5 | 176.5 | -23.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 376 | D | 29.3 | Very low | 26.9 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | 73.4 | 129.8 | -176.3 | -59.1 | -45.4 | 0 | 0 | 0 | 115.7 | ||||
| 377 | Q | 28.1 | Very low | 26.6 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | cis | -152.6 | 176 | -3.6 | -126.6 | 159.1 | 57.9 | 0 | 0 | 112.4 | ||||
| 378 | K | 26.3 | Very low | 26 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 77% | 0.774 | 80% | 0.803 | S | S | * | * | trans | -95.1 | 153.8 | -164.2 | -69.9 | -179.1 | 170.9 | -172.8 | 0 | 116.6 | ||||
| 379 | M | 23 | Very low | 25.8 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | -157.4 | 115.5 | 127 | -102.8 | 176.7 | 165.4 | 0 | 0 | 106.3 | |||||
| 380 | E | 22.7 | Very low | 25.5 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 71% | 0.71 | 81% | 0.814 | S | S | * | * | 58.5 | 121 | 85.4 | -65.6 | 179.6 | -170.7 | 0 | 0 | 111.9 | |||||
| 381 | T | 23.8 | Very low | 25.1 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | cis | -141.5 | -171.3 | 46.9 | 45.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 382 | E | 24.2 | Very low | 25.1 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -77.4 | 173.1 | -171.4 | -49.7 | 175.7 | 132.7 | 0 | 0 | 114.2 | ||||
| 383 | T | 23.2 | Very low | 24.9 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | cis | -157.3 | 152.3 | 18.6 | -24.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 384 | A | 22.4 | Very low | 24.8 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | 46.4 | 123.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 385 | G | 23.4 | Very low | 24.7 | Very low | 77 Ų | 77 | 137.9 Ų | 137.9 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | 168.5 | 95.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 386 | Q | 24.5 | Very low | 24.7 | Very low | 207 Ų | 207 | 138 Ų | 138 | 97% | 0.967 | 83% | 0.829 | S | S | * | * | trans | 24.4 | 126.9 | 155.7 | -64.8 | 175.2 | -19 | 0 | 0 | 121.9 | ||||
| 387 | G | 24.5 | Very low | 24.5 | Very low | 85 Ų | 85 | 135 Ų | 135 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | trans | 169.2 | 137.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 388 | A | 23.7 | Very low | 24.4 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -139.1 | 145.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 389 | V | 26 | Very low | 24.3 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | trans | -176.9 | 139 | 142.4 | 142.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 390 | G | 25.3 | Very low | 24.4 | Very low | 76 Ų | 76 | 126.1 Ų | 126.1 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | trans | -133.9 | 127.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 391 | T | 25.5 | Very low | 24.4 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 83% | 0.828 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 140.7 | -175.1 | -38.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 392 | S | 25.2 | Very low | 24.4 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 127.2 | -166.6 | 55.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 393 | T | 23.1 | Very low | 24.4 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 83% | 0.828 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 137.7 | 167 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 394 | L | 25.3 | Very low | 24.7 | Very low | 171 Ų | 171 | 125 Ų | 125 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | trans | -138.4 | 151.6 | 162.5 | -92.4 | 175.1 | 0 | 0 | 0 | 112 | ||||
| 395 | D | 23.7 | Very low | 24.8 | Very low | 169 Ų | 169 | 127.5 Ų | 127.5 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | trans | 50.4 | 109.9 | -179.4 | -88.2 | -8 | 0 | 0 | 0 | 119.4 | ||||
| 396 | C | 25.3 | Very low | 24.9 | Very low | 125 Ų | 125 | 133 Ų | 133 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | trans | -118.7 | 106.2 | 168.8 | -167 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 397 | G | 25.1 | Very low | 24.9 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | -74 | 133.3 | 168 | 0 | 0 | 0 | 0 | 0 | 110.6 | G399 | G397-G399 PolarHBondContact O-N 3.05Š| ||
| 398 | V | 26.6 | Very low | 24.9 | Very low | 148 Ų | 148 | 134 Ų | 134 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | -60.6 | 104 | -172 | -179 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 399 | G | 24.1 | Very low | 25 | Very low | 66 Ų | 66 | 140.5 Ų | 140.5 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | trans | -103.5 | 120.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | G397 K401 | G397-G399 PolarHBondContact O-N 3.05Å; G399-K401 PolarHBondContact O-N 3.15Å; G399-K401 VanDerWaalsContact O-N 3.11Å | ||
| 400 | T | 23.9 | Very low | 24.8 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -73.3 | 99.3 | 175.6 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | L402 | T400-L402 PolarHBondContact O-N 3.32Š| ||
| 401 | K | 24.1 | Very low | 24.8 | Very low | 207 Ų | 207 | 153.1 Ų | 153.1 | 90% | 0.9 | 83% | 0.834 | S | S | * | * | trans | -64.3 | 111.9 | 164.9 | -81.5 | -171.4 | 173.6 | -175.9 | 0 | 109.3 | G399 | G399-K401 PolarHBondContact O-N 3.15Å; G399-K401 VanDerWaalsContact O-N 3.11Å | ||
| 402 | L | 24.3 | Very low | 24.8 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 85% | 0.848 | 83% | 0.832 | S | S | * | * | trans | -82.8 | 129.1 | 159.4 | -72.9 | 170.1 | 0 | 0 | 0 | 108.1 | T400 | T400-L402 PolarHBondContact O-N 3.32Š| ||
| 403 | A | 23.7 | Very low | 24.8 | Very low | 102 Ų | 102 | 153.3 Ų | 153.3 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | -87.9 | 121.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 404 | S | 28.8 | Very low | 24.9 | Very low | 96 Ų | 96 | 155 Ų | 155 | 67% | 0.671 | 84% | 0.838 | S | S | * | * | trans | -140.3 | 110 | 170.5 | 57 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 405 | N | 25.6 | Very low | 24.8 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | trans | -70 | 135.8 | -179.4 | -64.5 | -9.9 | 0 | 0 | 0 | 110.1 | ||||
| 406 | F | 25.6 | Very low | 24.8 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -71.7 | 129.6 | 178.5 | -79.9 | -94.9 | 0 | 0 | 0 | 111.2 | ||||
| 407 | V | 23.8 | Very low | 24.7 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | trans | -98.7 | 103.3 | 170 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | R409 | V407-R409 PolarHBondContact O-N 3.21Š| ||
| 408 | H | 25.1 | Very low | 24.6 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 82% | 0.815 | 83% | 0.826 | S | S | * | * | trans | -72.8 | 110.5 | 172.8 | -79.9 | -60.9 | 0 | 0 | 0 | 111 | ||||
| 409 | R | 24.6 | Very low | 24.4 | Very low | 239 Ų | 239 | 154.4 Ų | 154.4 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -81 | 117.1 | 153.5 | -81.1 | -178.7 | 169.8 | 158.5 | -3.6 | 108.5 | V407 | V407-R409 PolarHBondContact O-N 3.21Š| ||
| 410 | R | 23.3 | Very low | 24.4 | Very low | 241 Ų | 241 | 155.9 Ų | 155.9 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -72.1 | 139.6 | 159 | -61.3 | -177.2 | -171.1 | 173.8 | 3.3 | 108.1 | ||||
| 411 | R | 24.2 | Very low | 24.4 | Very low | 242 Ų | 242 | 157 Ų | 157 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -111.4 | 141.8 | 144.9 | -79.2 | -175.7 | 168.8 | 175.3 | -4.6 | 106.3 | ||||
| 412 | A | 25.7 | Very low | 24.4 | Very low | 95 Ų | 95 | 154.4 Ų | 154.4 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -90.7 | 146.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 413 | D | 24.4 | Very low | 24.4 | Very low | 157 Ų | 157 | 153 Ų | 153 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -77.6 | 143.9 | 163.7 | -57.1 | -60.3 | 0 | 0 | 0 | 108.5 | ||||
| 414 | D | 25.7 | Very low | 24.3 | Very low | 170 Ų | 170 | 156.3 Ų | 156.3 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -157.6 | 154.3 | 138.6 | -114.6 | -33.1 | 0 | 0 | 0 | 109.7 | ||||
| 415 | S | 23.3 | Very low | 24 | Very low | 105 Ų | 105 | 156.9 Ų | 156.9 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -112.1 | 150.2 | -175.2 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 416 | V | 24.3 | Very low | 23.9 | Very low | 145 Ų | 145 | 160.5 Ų | 160.5 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -173.2 | 163.5 | 141.2 | 138.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 417 | C | 21.7 | Very low | 23.9 | Very low | 108 Ų | 108 | 155.4 Ų | 155.4 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | trans | -108.1 | 166.2 | -161 | -53.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 418 | L | 23.3 | Very low | 24 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | 83.8 | 134.9 | 146.5 | -75.5 | 161.1 | 0 | 0 | 0 | 122.2 | ||||
| 419 | E | 22 | Very low | 24.1 | Very low | 167 Ų | 167 | 156 Ų | 156 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | 85.6 | 121.5 | 138.5 | -86.3 | 169.8 | 174.7 | 0 | 0 | 124.4 | ||||
| 420 | S | 24.5 | Very low | 24.1 | Very low | 96 Ų | 96 | 148.4 Ų | 148.4 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | trans | 58 | 104.7 | 138.6 | 64.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 421 | D | 23.8 | Very low | 24.4 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | 64 | 139.5 | 111.1 | -71.7 | 1.4 | 0 | 0 | 0 | 123.6 | |||||
| 422 | L | 24.6 | Very low | 24.4 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | 91.5 | 123.7 | 152.3 | -69.6 | 163.3 | 0 | 0 | 0 | 122.2 | ||||
| 423 | I | 24.6 | Very low | 24.4 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | 86.4 | 99.5 | 138.8 | -65.7 | 167.1 | 0 | 0 | 0 | 120.6 | ||||
| 424 | E | 22.1 | Very low | 24.4 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 59.3 | 158.5 | 126.6 | -58.4 | -161.2 | 109.7 | 0 | 0 | 125.7 | |||||
| 425 | S | 22.3 | Very low | 24.3 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 79 | 115.9 | 161 | 74.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 426 | R | 22.7 | Very low | 24.5 | Very low | 233 Ų | 233 | 153 Ų | 153 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | 64.9 | 120.4 | 90.5 | -70.2 | -178.4 | 174.5 | 177.4 | -1.2 | 112.1 | |||||
| 427 | A | 26 | Very low | 24.4 | Very low | 87 Ų | 87 | 153.8 Ų | 153.8 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | 63.5 | 133.4 | 68.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 428 | D | 25.3 | Very low | 24.5 | Very low | 153 Ų | 153 | 154.9 Ų | 154.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | -160.1 | -160.1 | 9.7 | -142.8 | -48.5 | 0 | 0 | 0 | 110.1 | ||||
| 429 | E | 26.7 | Very low | 24.5 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | 73.4 | 133 | 160.1 | -73.5 | -179.9 | 173.7 | 0 | 0 | 117.9 | ||||
| 430 | A | 26.3 | Very low | 24.5 | Very low | 80 Ų | 80 | 154.1 Ų | 154.1 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | cis | 94.6 | 154.9 | 49.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 431 | Q | 28.3 | Very low | 24.4 | Very low | 153 Ų | 153 | 154.5 Ų | 154.5 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | cis | -165.5 | -168.2 | 7 | -142.4 | 171.8 | 62.2 | 0 | 0 | 111 | ||||
| 432 | R | 25.7 | Very low | 24.3 | Very low | 215 Ų | 215 | 155.4 Ų | 155.4 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | 94.6 | 119.3 | 164.9 | -53.4 | -174.9 | -176.9 | -174.7 | 0.2 | 116 | ||||
| 433 | Y | 25.2 | Very low | 24.2 | Very low | 196 Ų | 196 | 158.4 Ų | 158.4 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | 74.4 | 137.8 | 60.2 | -74 | -70.2 | 0 | 0 | 0 | 111.2 | |||||
| 434 | E | 23.4 | Very low | 24.2 | Very low | 188 Ų | 188 | 160.6 Ų | 160.6 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | cis | -137.7 | -172 | 33.6 | -68.8 | 178.3 | 130.8 | 0 | 0 | 116 | ||||
| 435 | Q | 23.9 | Very low | 24.4 | Very low | 174 Ų | 174 | 161.6 Ų | 161.6 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -100.5 | 133.7 | 177.9 | -74.1 | 164.8 | -49.4 | 0 | 0 | 109.8 | ||||
| 436 | M | 27.3 | Very low | 24.6 | Very low | 180 Ų | 180 | 162 Ų | 162 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | 75.4 | 102.8 | 78.7 | -175.2 | 179 | 168 | 0 | 0 | 115.9 | |||||
| 437 | E | 23.1 | Very low | 25.2 | Very low | 163 Ų | 163 | 157.1 Ų | 157.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -177.7 | 165.7 | 157.5 | -104.5 | -64.7 | 58.8 | 0 | 0 | 107.3 | ||||
| 438 | I | 23.3 | Very low | 25.3 | Very low | 131 Ų | 131 | 161.5 Ų | 161.5 | 67% | 0.672 | 80% | 0.795 | S | S | * | * | cis | -154.7 | 163.8 | -3.6 | -168.7 | 169.5 | 0 | 0 | 0 | 110.1 | ||||
| 439 | A | 22.7 | Very low | 25.5 | Very low | 92 Ų | 92 | 164.2 Ų | 164.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | 73.2 | 154.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 440 | F | 23 | Very low | 25.4 | Very low | 206 Ų | 206 | 162.6 Ų | 162.6 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | -112.6 | 147.8 | -179.5 | -100.6 | -112.2 | 0 | 0 | 0 | 110.7 | ||||
| 441 | S | 21.9 | Very low | 25.5 | Very low | 103 Ų | 103 | 165.7 Ų | 165.7 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | 169.9 | 145 | 123.3 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 442 | E | 22.2 | Very low | 25.6 | Very low | 174 Ų | 174 | 165.5 Ų | 165.5 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 52.4 | 126.2 | 155.2 | -60.4 | -179.6 | 147.2 | 0 | 0 | 120.3 | ||||
| 443 | Y | 23.3 | Very low | 26.2 | Very low | 216 Ų | 216 | 161 Ų | 161 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | 68.6 | 135.2 | 52.2 | -71.6 | -59.6 | 0 | 0 | 0 | 113.2 | |||||
| 444 | K | 24.4 | Very low | 26.1 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | cis | -163.7 | 151.4 | 6.6 | -157.2 | 171.7 | -176.3 | 177.4 | 0 | 109.7 | ||||
| 445 | E | 25 | Very low | 26.1 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -151.7 | 161.4 | 159.8 | -136.9 | 167.9 | -145 | 0 | 0 | 113.3 | ||||
| 446 | T | 26.2 | Very low | 26.2 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | trans | -150.5 | 161.7 | -169.8 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 447 | P | 36.4 | Very low | 26 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | -146.1 | -175.1 | 116.9 | 36.7 | -20.5 | 0 | 0 | 0 | 115.3 | |||||
| 448 | Q | 26.9 | Very low | 26.1 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -144.4 | 174.7 | -178 | -164.8 | -165.3 | -0.6 | 0 | 0 | 109.1 | ||||
| 449 | R | 30.8 | Very low | 26.1 | Very low | 211 Ų | 211 | 147.7 Ų | 147.7 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | 94.1 | 157.2 | 173.5 | -54.7 | -174.7 | 177.2 | -170.6 | -0.7 | 113.7 | ||||
| 450 | D | 25.1 | Very low | 26.2 | Very low | 136 Ų | 136 | 153 Ų | 153 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -125.4 | 167.2 | 21.9 | -73.5 | -46.5 | 0 | 0 | 0 | 112.9 | ||||
| 451 | L | 28 | Very low | 26.2 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | cis | -156.4 | 161.2 | -11.2 | -115.2 | 164.9 | 0 | 0 | 0 | 110.5 | ||||
| 452 | E | 29.3 | Very low | 26.4 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -96.3 | 161 | 170.1 | -97.2 | -72.9 | 148.8 | 0 | 0 | 109.4 | A454 | E452-A454 PolarHBondContact OE2-N 3.43Š| ||
| 453 | P | 39.7 | Very low | 26.4 | Very low | 119 Ų | 119 | 149.9 Ų | 149.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -154.4 | 139.6 | 70.2 | 39.2 | -16.7 | 0 | 0 | 0 | 120.4 | |||||
| 454 | A | 22.9 | Very low | 26.5 | Very low | 77 Ų | 77 | 144 Ų | 144 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | 67.3 | 128.7 | 126.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | E452 | E452-A454 PolarHBondContact OE2-N 3.43Š| |||
| 455 | S | 22.3 | Very low | 26.5 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | -171.2 | 131.8 | 108.9 | 35 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 456 | T | 25.8 | Very low | 26.4 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -149.5 | 113.4 | 162.9 | 36.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 457 | D | 24.4 | Very low | 26.3 | Very low | 153 Ų | 153 | 143 Ų | 143 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -169.7 | 154.9 | 179.7 | -93.8 | -45.4 | 0 | 0 | 0 | 108.4 | ||||
| 458 | I | 25.1 | Very low | 25.6 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | cis | -160.9 | 145.4 | -21 | -166.4 | 172.7 | 0 | 0 | 0 | 109.2 | ||||
| 459 | N | 22.5 | Very low | 26.5 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | 66.2 | 141.9 | 177.8 | -55.7 | -51.5 | 0 | 0 | 0 | 115.4 | ||||
| 460 | K | 24.7 | Very low | 26.3 | Very low | 202 Ų | 202 | 135 Ų | 135 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | cis | -134.4 | 153.1 | 18.6 | -60 | 170.3 | 179.8 | 179.4 | 0 | 109.1 | ||||
| 461 | G | 24.1 | Very low | 26.3 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | 89.7 | 140.3 | 85.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 462 | E | 25.4 | Very low | 26.2 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | cis | -147.7 | -164 | 5 | -65.4 | -177.2 | 107.8 | 0 | 0 | 111.3 | ||||
| 463 | Q | 23 | Very low | 26.1 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -39.7 | 144.5 | 177 | -61.1 | 142.5 | 5.9 | 0 | 0 | 115 | ||||
| 464 | A | 25.5 | Very low | 25.3 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | cis | 79.1 | 81 | 40.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 465 | F | 23.4 | Very low | 25.4 | Very low | 191 Ų | 191 | 138.7 Ų | 138.7 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -155.6 | 120.1 | 160.7 | -95.6 | -83.4 | 0 | 0 | 0 | 105.9 | ||||
| 466 | S | 22.4 | Very low | 25.5 | Very low | 92 Ų | 92 | 140 Ų | 140 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | 98.6 | 129.2 | 74.7 | 73.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 467 | E | 23.7 | Very low | 25.4 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | 4.8 | 124.7 | 148.4 | -57.1 | 173.9 | 135.9 | 0 | 0 | 119.8 | ||||
| 468 | A | 23.1 | Very low | 25.3 | Very low | 95 Ų | 95 | 143 Ų | 143 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | 41.5 | 167.4 | 120.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 469 | P | 44.9 | Very low | 25.3 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | cis | -132 | 175.2 | -35.4 | 37.4 | -22.1 | 0 | 0 | 0 | 113.5 | ||||
| 470 | D | 26.2 | Very low | 25.3 | Very low | 146 Ų | 146 | 142 Ų | 142 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | trans | -146.7 | 128.1 | 153.2 | -93.2 | -45.8 | 0 | 0 | 0 | 108.1 | ||||
| 471 | N | 26.1 | Very low | 25.3 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | 73.4 | 126.1 | 67.1 | -66.5 | -39.3 | 0 | 0 | 0 | 112 | |||||
| 472 | L | 26.3 | Very low | 25.4 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | cis | -146.9 | 173.7 | 19.1 | -102.1 | 135.1 | 0 | 0 | 0 | 114.8 | ||||
| 473 | D | 25.8 | Very low | 25.4 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 56% | 0.561 | 73% | 0.732 | S | S | * | * | trans | -37.2 | 142 | 169.3 | -79.9 | -80.1 | 0 | 0 | 0 | 118.4 | ||||
| 474 | K | 24.3 | Very low | 25.6 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | 71.7 | 157 | 78.9 | -62.2 | -165.2 | -162.1 | 86.8 | 0 | 116.3 | |||||
| 475 | E | 25.2 | Very low | 25.6 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | trans | 71.6 | 167.5 | 170.4 | -51.4 | -102.2 | 116.7 | 0 | 0 | 115.3 | ||||
| 476 | K | 23.7 | Very low | 25.7 | Very low | 145 Ų | 145 | 138 Ų | 138 | 63% | 0.63 | 72% | 0.718 | S | S | * | * | cis | -155.9 | 154.4 | -49.8 | -105.3 | -174.2 | -165.4 | 130.7 | 0 | 107.8 | ||||
| 477 | R | 22.6 | Very low | 25.9 | Very low | 211 Ų | 211 | 141.9 Ų | 141.9 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | trans | 25.5 | 140.7 | 153.5 | -50.2 | 177.3 | 169.7 | -177.8 | -3.8 | 121.3 | ||||
| 478 | Q | 24.1 | Very low | 26 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 66% | 0.659 | 72% | 0.715 | S | S | * | * | 129.5 | 127 | 112 | -148.6 | 143.6 | -11.7 | 0 | 0 | 118.4 | |||||
| 479 | D | 23.7 | Very low | 26 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 66% | 0.658 | 72% | 0.716 | S | S | * | * | trans | 32.4 | 155 | 146.3 | -48.2 | -19.9 | 0 | 0 | 0 | 125.7 | ||||
| 480 | C | 22.6 | Very low | 25.1 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 86% | 0.858 | 71% | 0.713 | S | S | * | * | trans | 72.4 | 155.5 | 153.1 | -71.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 481 | A | 25.8 | Very low | 25 | Very low | 63 Ų | 63 | 138.7 Ų | 138.7 | 52% | 0.521 | 72% | 0.715 | S | S | . | * | cis | -170.6 | 175.7 | -24.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 482 | E | 26.3 | Very low | 24.9 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | trans | 65.9 | 155.8 | 151 | -76.8 | 140.5 | -136 | 0 | 0 | 118.3 | ||||
| 483 | E | 25.3 | Very low | 24.9 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | cis | -151.7 | -163.1 | -12.5 | -135.1 | 175.7 | -161.9 | 0 | 0 | 113 | ||||
| 484 | E | 27.1 | Very low | 25.1 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -72.3 | 178.7 | -179.8 | -53.1 | -173 | 158.5 | 0 | 0 | 113.4 | ||||
| 485 | T | 24.2 | Very low | 25.8 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | -173.2 | 144.1 | 56.9 | 40.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 486 | Q | 26.4 | Very low | 25.8 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | 54.7 | 130.7 | 128.7 | -54.7 | 175.9 | 19.4 | 0 | 0 | 125.3 | |||||
| 487 | Q | 26.5 | Very low | 26.1 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | 69.4 | 159 | 130 | -72.1 | 179.2 | 9.1 | 0 | 0 | 120.8 | |||||
| 488 | S | 24.9 | Very low | 26.1 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | cis | -163.5 | 159.5 | -1 | 42.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 489 | T | 23.5 | Very low | 26.4 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 59.5 | 157.8 | 147.1 | 48.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 490 | S | 25.6 | Very low | 27 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | cis | -170.3 | 156.4 | -14.4 | 47.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 491 | D | 24.4 | Very low | 27.1 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | 33.4 | 136.4 | 152.2 | -56.1 | -18.6 | 0 | 0 | 0 | 124.4 | ||||
| 492 | S | 25.3 | Very low | 27.1 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | 174.8 | 179.4 | 112.3 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 493 | H | 26 | Very low | 27 | Very low | 180 Ų | 180 | 138 Ų | 138 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | trans | -107.5 | 157.1 | -156 | -80.5 | -100.3 | 0 | 0 | 0 | 117.8 | ||||
| 494 | L | 30.5 | Very low | 27 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -4.5 | 146.9 | 141.2 | -82.2 | 164.1 | 0 | 0 | 0 | 118.9 | ||||
| 495 | P | 38 | Very low | 26.9 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | -147.5 | -170.6 | 89 | 40.8 | -23.6 | 0 | 0 | 0 | 116.7 | |||||
| 496 | T | 25.8 | Very low | 27 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -126.9 | 156.8 | -162 | -39.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 497 | S | 28.6 | Very low | 27 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | 121.1 | 152.6 | 128.6 | 83.3 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 498 | Q | 23.3 | Very low | 26.8 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | 91.7 | 162 | 151.5 | -70.8 | 176.7 | 37.7 | 0 | 0 | 122.7 | ||||
| 499 | I | 30.4 | Very low | 26.9 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -154.1 | 139.5 | -145.9 | -71.9 | 158.8 | 0 | 0 | 0 | 108.6 | ||||
| 500 | P | 37 | Very low | 27.1 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | -161.8 | 158.3 | 116.6 | 39.4 | -18.9 | 0 | 0 | 0 | 120.1 | |||||
| 501 | M | 24.4 | Very low | 27.1 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | trans | 43 | 154.8 | 133.9 | -56.7 | -61.1 | -85.9 | 0 | 0 | 123.7 | ||||
| 502 | S | 25.3 | Very low | 27.1 | Very low | 80 Ų | 80 | 148.4 Ų | 148.4 | 56% | 0.559 | 79% | 0.785 | S | S | * | * | cis | -179.4 | 155.8 | -21.4 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 503 | Q | 25.7 | Very low | 26.9 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | 59.6 | 131.6 | 155.2 | -71.6 | -175 | -54.1 | 0 | 0 | 123 | ||||
| 504 | L | 24.2 | Very low | 26.9 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | -169.5 | 162.2 | 114.9 | -130.5 | 79.7 | 0 | 0 | 0 | 113 | |||||
| 505 | D | 25.8 | Very low | 26.7 | Very low | 147 Ų | 147 | 154.8 Ų | 154.8 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -103.4 | 161.3 | 175.6 | -76.6 | -61.9 | 0 | 0 | 0 | 113.2 | ||||
| 506 | L | 25.7 | Very low | 26.6 | Very low | 168 Ų | 168 | 154.8 Ų | 154.8 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -179.4 | 161.7 | 130.4 | -99.8 | 164.5 | 0 | 0 | 0 | 115.1 | ||||
| 507 | N | 26.2 | Very low | 26.5 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -89.5 | 160.9 | -177 | -63 | -78.2 | 0 | 0 | 0 | 114 | ||||
| 508 | F | 23.5 | Very low | 26.5 | Very low | 216 Ų | 216 | 159.1 Ų | 159.1 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | -165.4 | 167.4 | 128.9 | -115.7 | -75.6 | 0 | 0 | 0 | 113.1 | |||||
| 509 | N | 26.7 | Very low | 26.5 | Very low | 150 Ų | 150 | 158.2 Ų | 158.2 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -154.7 | 135.1 | -168 | -172.4 | -3.3 | 0 | 0 | 0 | 111.2 | ||||
| 510 | K | 26.7 | Very low | 26.1 | Very low | 171 Ų | 171 | 157.7 Ų | 157.7 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | -171.6 | 130.1 | 169.1 | -113.6 | -175.4 | -178.1 | -174 | 0 | 118.3 | ||||
| 511 | Q | 24.8 | Very low | 25.4 | Very low | 147 Ų | 147 | 161.9 Ų | 161.9 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | 52.3 | 121.3 | 129.2 | -69 | 172.8 | -22 | 0 | 0 | 121.5 | |||||
| 512 | I | 24.8 | Very low | 25.4 | Very low | 136 Ų | 136 | 160.4 Ų | 160.4 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | 92.6 | 120.8 | 61.6 | -75.6 | 174.5 | 0 | 0 | 0 | 115.1 | |||||
| 513 | L | 22.3 | Very low | 25.3 | Very low | 173 Ų | 173 | 161.9 Ų | 161.9 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -159 | 176.4 | 143 | -140.9 | 66.2 | 0 | 0 | 0 | 113.3 | ||||
| 514 | Q | 24.4 | Very low | 25.2 | Very low | 167 Ų | 167 | 160 Ų | 160 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | -140.8 | 154.5 | -147.9 | -53.6 | 177.4 | -0.5 | 0 | 0 | 117 | ||||
| 515 | R | 26.8 | Very low | 25.8 | Very low | 241 Ų | 241 | 157 Ų | 157 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | 23.2 | 154.3 | 140.9 | -84 | -177.1 | 176.3 | 178.6 | 0.7 | 122.8 | ||||
| 516 | P | 36.1 | Very low | 25.9 | Very low | 128 Ų | 128 | 158.7 Ų | 158.7 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | cis | -143.2 | -165.8 | 46.9 | 41.3 | -21 | 0 | 0 | 0 | 115.5 | ||||
| 517 | G | 24.6 | Very low | 26 | Very low | 65 Ų | 65 | 156.8 Ų | 156.8 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | cis | 141.9 | 131 | -21.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 518 | R | 27.1 | Very low | 26.1 | Very low | 241 Ų | 241 | 156.6 Ų | 156.6 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | 83.8 | 155.2 | 172.2 | -63.1 | 179.4 | 163.9 | 174 | -4 | 116.7 | ||||
| 519 | K | 24 | Very low | 26.3 | Very low | 163 Ų | 163 | 154.1 Ų | 154.1 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | cis | -163.9 | 153.5 | 11.8 | -138.2 | 173.9 | 177 | -172 | 0 | 113.3 | ||||
| 520 | I | 21.8 | Very low | 26.3 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | 70.3 | 158.1 | 151.6 | -83.7 | 161.6 | 0 | 0 | 0 | 119.1 | ||||
| 521 | R | 23.3 | Very low | 26.1 | Very low | 202 Ų | 202 | 150.4 Ų | 150.4 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | cis | -177.9 | 151.5 | -38.1 | -159.7 | -155.3 | 176.5 | -165.1 | 0.2 | 111.7 | ||||
| 522 | L | 23.1 | Very low | 26 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | trans | 70.6 | 152.4 | 165.1 | -74.1 | 167 | 0 | 0 | 0 | 117.9 | ||||
| 523 | S | 23.9 | Very low | 26 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | cis | -149.5 | 163.1 | 3.1 | 46.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 524 | D | 23.7 | Very low | 26.1 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | -117.2 | 160.5 | 172.7 | 179.2 | 53.3 | 0 | 0 | 0 | 110.5 | Y526 | D524-Y526 PolarHBondContact OD2-N 3.07Š| ||
| 525 | P | 37.5 | Very low | 26.2 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | -154.4 | 134.7 | 115.5 | 35.3 | -15.3 | 0 | 0 | 0 | 119 | |||||
| 526 | Y | 27.9 | Very low | 26.2 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | trans | 68.7 | 156.3 | 140.8 | -84.1 | -101.7 | 0 | 0 | 0 | 119.6 | D524 | D524-Y526 PolarHBondContact OD2-N 3.07Š| ||
| 527 | V | 26.4 | Very low | 25.7 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | cis | -130.9 | 155.5 | 13.5 | -174.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 528 | H | 29 | Very low | 25.9 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 64% | 0.644 | 75% | 0.746 | S | S | * | * | trans | -49.1 | 177.5 | 168.3 | -73.9 | -98.4 | 0 | 0 | 0 | 116.9 | ||||
| 529 | Q | 27.7 | Very low | 25.6 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | cis | -166.1 | 140.5 | 34.2 | -156.4 | 145.6 | 7 | 0 | 0 | 118.3 | ||||
| 530 | S | 25.5 | Very low | 25.6 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 58% | 0.58 | 75% | 0.747 | S | S | * | * | trans | 58.8 | 143.3 | 145.8 | -66.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 531 | L | 22.7 | Very low | 25.7 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | cis | 74.8 | 139.5 | 39.1 | -60.9 | 166 | 0 | 0 | 0 | 113.7 | ||||
| 532 | S | 23.2 | Very low | 26.7 | Very low | 85 Ų | 85 | 135 Ų | 135 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | cis | -173 | 177.4 | -9.6 | 54.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 533 | T | 24.5 | Very low | 26.7 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 62.7 | 144.4 | 154.5 | 43.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 534 | Q | 25.8 | Very low | 26.9 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | cis | -175.1 | 177 | 38.3 | -140.1 | 166.6 | 6.5 | 0 | 0 | 110 | ||||
| 535 | D | 26.5 | Very low | 27.2 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | -84.4 | -178.4 | 179.1 | -71.7 | -77.3 | 0 | 0 | 0 | 115.8 | ||||
| 536 | V | 26.9 | Very low | 26.8 | Very low | 128 Ų | 128 | 140 Ų | 140 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 115.8 | 86.9 | 149.6 | -172.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 537 | S | 25.4 | Very low | 26.9 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | trans | 67.1 | 143.4 | 131.1 | 87.2 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 538 | H | 27.1 | Very low | 26.9 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 88% | 0.875 | 74% | 0.742 | S | S | * | * | trans | 59.4 | 132.5 | 151.4 | -63.6 | -61 | 0 | 0 | 0 | 122 | ||||
| 539 | G | 22.4 | Very low | 26.9 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | 145.4 | 91 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 540 | N | 22.6 | Very low | 26.9 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 88% | 0.882 | 74% | 0.738 | S | S | * | * | trans | 11.5 | 129.5 | 154 | -63.3 | -22 | 0 | 0 | 0 | 123.2 | ||||
| 541 | K | 23.7 | Very low | 27.1 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | -9.4 | 163.8 | 125.4 | -82.9 | -176.7 | 178.5 | 179.4 | 0 | 118.4 | |||||
| 542 | P | 45.3 | Very low | 27.2 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | cis | -143 | -144.8 | -17.1 | 34 | -8.2 | 0 | 0 | 0 | 113 | ||||
| 543 | L | 23.9 | Very low | 27.2 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | trans | 83.9 | 117.1 | 172.9 | -87.2 | 61.7 | 0 | 0 | 0 | 115.9 | ||||
| 544 | F | 27.2 | Very low | 27.2 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 80% | 0.803 | 75% | 0.75 | S | S | * | * | 81.2 | 151.2 | 72.4 | -92 | -87.5 | 0 | 0 | 0 | 111.4 | |||||
| 545 | Q | 30.1 | Very low | 27.1 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | cis | -153 | -165.5 | 17.9 | -166.6 | 146.2 | 0.5 | 0 | 0 | 111.8 | ||||
| 546 | V | 29.7 | Very low | 27 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | 95 | 126.3 | 162.9 | -175.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 547 | Q | 29.1 | Very low | 26.8 | Very low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | cis | -163.3 | 155.4 | -22.9 | -107.2 | -150.8 | -66.2 | 0 | 0 | 107.9 | ||||
| 548 | D | 27.5 | Very low | 26.7 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | cis | -137.7 | -87.7 | -19.9 | -157.1 | -69.3 | 0 | 0 | 0 | 108.9 | ||||
| 549 | L | 27.9 | Very low | 26.5 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | cis | -145.8 | 129.6 | -50 | -144.7 | 161.5 | 0 | 0 | 0 | 106.7 | ||||
| 550 | G | 27.3 | Very low | 26.6 | Very low | 47 Ų | 47 | 136 Ų | 136 | 49% | 0.485 | 72% | 0.724 | S | S | . | * | cis | 157.5 | 144.9 | -11.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 551 | Q | 30.1 | Very low | 26.7 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | 69.4 | 147.6 | 173.7 | -54.8 | -169 | 6.8 | 0 | 0 | 117.1 | ||||
| 552 | N | 25.4 | Very low | 26.8 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | cis | -166.7 | 159.4 | -16.6 | -100.8 | -23.4 | 0 | 0 | 0 | 107.9 | ||||
| 553 | C | 22.7 | Very low | 25.7 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 68% | 0.676 | 73% | 0.725 | S | S | * | * | cis | -172.7 | 156.1 | -30.3 | -169.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 554 | K | 24.6 | Very low | 25.6 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | trans | 66.9 | 155.2 | 174.4 | -72.3 | -176.3 | -179.8 | -175.9 | 0 | 115.7 | ||||
| 555 | E | 24.2 | Very low | 25.3 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 58% | 0.575 | 71% | 0.713 | S | S | * | * | cis | -157.3 | 157.8 | 6.1 | -132.9 | -177.6 | -171.9 | 0 | 0 | 112.9 | ||||
| 556 | K | 23.2 | Very low | 25.1 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | trans | 62.1 | 168.7 | 151.9 | -73.4 | 162.8 | -174.3 | 153 | 0 | 119.3 | ||||
| 557 | L | 22.9 | Very low | 24.9 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 73% | 0.728 | 72% | 0.715 | S | S | * | * | cis | -165.1 | 147.6 | -46 | -107.6 | -178.9 | 0 | 0 | 0 | 108 | ||||
| 558 | T | 23.1 | Very low | 25 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | trans | 29.5 | 123.7 | 150.7 | 56 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 559 | A | 23.8 | Very low | 25 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | 59.4 | 126 | 119.1 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 560 | S | 24.1 | Very low | 25.1 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | trans | 80.3 | 120.5 | 130.4 | -142.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 561 | K | 25.2 | Very low | 25.1 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 77% | 0.774 | 71% | 0.708 | S | S | * | * | trans | 69.1 | 112.8 | 142.9 | -72.7 | 172.7 | -177.6 | 173.8 | 0 | 122.9 | ||||
| 562 | R | 24.8 | Very low | 25 | Very low | 231 Ų | 231 | 138.1 Ų | 138.1 | 87% | 0.872 | 71% | 0.705 | S | S | * | * | 85 | 133.1 | 129.7 | -72.1 | -178.8 | 167.7 | 178.7 | -3.9 | 122.5 | |||||
| 563 | K | 23.2 | Very low | 24.9 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | trans | 81.5 | 123.1 | 142 | -95.2 | -160 | 162.2 | -157.3 | 0 | 121.7 | ||||
| 564 | M | 21 | Very low | 25.1 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 68% | 0.68 | 71% | 0.711 | S | S | * | * | trans | 67.7 | 151.2 | 136.3 | -64.7 | -176.6 | 70.8 | 0 | 0 | 118.3 | ||||
| 565 | T | 21.4 | Very low | 25 | Very low | 96 Ų | 96 | 137 Ų | 137 | 59% | 0.589 | 72% | 0.717 | S | S | * | * | cis | -168.6 | 154.8 | -11.3 | 18.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 566 | L | 25.3 | Very low | 25.2 | Very low | 146 Ų | 146 | 137 Ų | 137 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | trans | 61.7 | 169.4 | 152.7 | -94.2 | 65.3 | 0 | 0 | 0 | 116.9 | ||||
| 567 | E | 25.9 | Very low | 25.9 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | cis | -158.6 | -177.8 | -36 | -126.9 | -174.2 | -106.9 | 0 | 0 | 106 | ||||
| 568 | S | 30.7 | Very low | 25.9 | Very low | 72 Ų | 72 | 132.7 Ų | 132.7 | 50% | 0.503 | 72% | 0.724 | S | S | . | * | cis | -149 | 156 | 6.9 | 40.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 569 | N | 27.9 | Very low | 26.1 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | 157.3 | 166.5 | 105.5 | -79.2 | -71.8 | 0 | 0 | 0 | 105.8 | |||||
| 570 | R | 29.5 | Very low | 26.3 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | cis | -176 | 171.3 | -16.9 | -97.5 | 179.4 | -175.2 | -81.4 | -6.6 | 104.8 | ||||
| 571 | D | 28 | Very low | 26.4 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | cis | -167.1 | 168.6 | -12.9 | -103.9 | -17.8 | 0 | 0 | 0 | 104.3 | ||||
| 572 | V | 27.9 | Very low | 26.4 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | cis | -155.6 | 150.1 | -3.1 | 106.9 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 573 | A | 22.7 | Very low | 26.4 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | cis | -142.9 | -159.2 | -5.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 574 | A | 27.8 | Very low | 26.4 | Very low | 88 Ų | 88 | 136.7 Ų | 136.7 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -144.4 | 159.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 575 | F | 22.5 | Very low | 27.1 | Very low | 213 Ų | 213 | 135.9 Ų | 135.9 | 93% | 0.934 | 74% | 0.741 | S | S | * | * | trans | -133.2 | 148.7 | 168.8 | -109.9 | -82 | 0 | 0 | 0 | 111.7 | ||||
| 576 | V | 28 | Very low | 27.1 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -151.1 | 139.1 | -164.9 | 179.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 577 | P | 37.9 | Very low | 27 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | -152 | -154 | 65 | 42.9 | -18.2 | 0 | 0 | 0 | 113.3 | |||||
| 578 | S | 24.2 | Very low | 27.1 | Very low | 88 Ų | 88 | 139.7 Ų | 139.7 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | cis | -160.4 | 145.4 | 1.5 | 110.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 579 | K | 26 | Very low | 26.8 | Very low | 200 Ų | 200 | 144.7 Ų | 144.7 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | 69.5 | 162.8 | 144.6 | -64.8 | 178.1 | 178.7 | 177.3 | 0 | 121.7 | ||||
| 580 | I | 28.3 | Very low | 26.6 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -116.2 | 153.3 | -170.5 | -58.2 | 155.3 | 0 | 0 | 0 | 109.1 | ||||
| 581 | P | 27 | Very low | 26.3 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | -135.2 | 161.8 | 127.1 | 21.3 | -1.7 | 0 | 0 | 0 | 114.6 | |||||
| 582 | R | 25.5 | Very low | 26.1 | Very low | 229 Ų | 229 | 143 Ų | 143 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -99.5 | 147.9 | 173.1 | -63.3 | 168.7 | 169.4 | 169.4 | -6.9 | 111 | ||||
| 583 | V | 24 | Very low | 26.1 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -147.1 | 110.1 | 155.9 | -170.2 | 0 | 0 | 0 | 0 | 105 | ||||
| 584 | I | 22.6 | Very low | 26.3 | Very low | 137 Ų | 137 | 151 Ų | 151 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | 65.2 | 120.4 | 76.8 | -59.6 | 174.5 | 0 | 0 | 0 | 112.7 | |||||
| 585 | P | 36.1 | Very low | 26.6 | Very low | 122 Ų | 122 | 153.1 Ų | 153.1 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -99.3 | 138.5 | -178.8 | 36.5 | -31.5 | 0 | 0 | 0 | 113.3 | ||||
| 586 | V | 21.6 | Very low | 26.8 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | -143.5 | 116.5 | 170.6 | 174 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 587 | E | 22.3 | Very low | 27.3 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | 49.4 | 164.2 | 143 | -61 | -158.2 | 103.9 | 0 | 0 | 125.7 | ||||
| 588 | K | 29.5 | Very low | 27.2 | Very low | 186 Ų | 186 | 146.2 Ų | 146.2 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | trans | -64.2 | 150.3 | -176.8 | -56.8 | 151.2 | -178.1 | 158.6 | 0 | 112.5 | ||||
| 589 | L | 23 | Very low | 27.6 | Very low | 177 Ų | 177 | 148 Ų | 148 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | trans | -125.8 | 133.2 | 149.1 | -113.3 | 161.7 | 0 | 0 | 0 | 109.3 | ||||
| 590 | A | 23.8 | Very low | 28 | Very low | 75 Ų | 75 | 147.2 Ų | 147.2 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | trans | -108.2 | -176.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 591 | T | 24.4 | Very low | 28.4 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 72.6 | 148.2 | -169 | 78.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 592 | F | 24.1 | Very low | 28.7 | Very low | 195 Ų | 195 | 151.2 Ų | 151.2 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | cis | -112.4 | 153 | 16 | -89.7 | -113.1 | 0 | 0 | 0 | 115.1 | ||||
| 593 | K | 27.9 | Very low | 29.1 | Very low | 198 Ų | 198 | 148.3 Ų | 148.3 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -119.2 | 126.5 | 155.7 | -76.5 | -177.5 | 177.8 | 178.1 | 0 | 108.6 | ||||
| 594 | Q | 25.1 | Very low | 29.6 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -144.4 | 133.8 | 141.8 | -81.2 | -157.4 | -10.1 | 0 | 0 | 109.1 | ||||
| 595 | P | 34.9 | Very low | 30 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -91.4 | 144.1 | 173.9 | 35.4 | -31.7 | 0 | 0 | 0 | 111.2 | ||||
| 596 | G | 27.3 | Very low | 29.8 | Very low | 79 Ų | 79 | 146.6 Ų | 146.6 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | 178.2 | 76.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 597 | S | 38.1 | Very low | 30 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 176.4 | 75.5 | 142.7 | -168.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 598 | L | 34.9 | Very low | 30.1 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -140.6 | -34.1 | 170.6 | -116.7 | 167.1 | 0 | 0 | 0 | 112.5 | K600 F601 | L598-K600 VanDerWaalsContact C-N 3.29Å; L598-K600 PolarHBondContact O-N 3.08Å; L598-F601 PolarHBondContact O-N 2.59Å; L598-F601 VanDerWaalsContact O-N 3.08Å |
| 599 | D | 34.2 | Very low | 29.9 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | H | α-helix | trans | -68.5 | -25.8 | 176.7 | -58.6 | -67.3 | 0 | 0 | 0 | 113.6 | F601 R602 | D599-F601 PolarHBondContact O-N 2.87Å; D599-R602 PolarHBondContact O-N 3.2Å |
| 600 | K | 33.8 | Very low | 30 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | H | α-helix | trans | -65.7 | -14.2 | 170.5 | -89.1 | -168.7 | 174.2 | -177.4 | 0 | 114.2 | L598 | L598-K600 VanDerWaalsContact C-N 3.29Å; L598-K600 PolarHBondContact O-N 3.08Å |
| 601 | F | 35.6 | Very low | 30 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | H | α-helix | trans | -94.3 | -27.3 | 172.6 | -161.3 | -102.6 | 0 | 0 | 0 | 112.4 | L598 D599 Q603 | L598-F601 PolarHBondContact O-N 2.59Å; L598-F601 VanDerWaalsContact O-N 3.08Å; D599-F601 PolarHBondContact O-N 2.87Å; F601-Q603 VanDerWaalsContact C-N 3.33Å; F601-Q603 PolarHBondContact O-N 3.44Å |
| 602 | R | 34.7 | Very low | 30 | Very low | 197 Ų | 197 | 153.2 Ų | 153.2 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | H | α-helix | trans | -74.7 | -16.6 | -180 | -73.7 | -172.2 | 165.8 | -149.1 | -4.8 | 114.4 | D599 | D599-R602 PolarHBondContact O-N 3.2Å |
| 603 | Q | 34 | Very low | 30 | Very low | 168 Ų | 168 | 153.4 Ų | 153.4 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -13.3 | -179.9 | -100.3 | -178 | -2.5 | 0 | 0 | 115.5 | F601 | F601-Q603 VanDerWaalsContact C-N 3.33Å; F601-Q603 PolarHBondContact O-N 3.44Å |
| 604 | T | 33 | Very low | 29.7 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 69% | 0.693 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -94.9 | -23 | -170.7 | -35.4 | 0 | 0 | 0 | 0 | 114 | ||
| 605 | C | 32.6 | Very low | 29.7 | Very low | 103 Ų | 103 | 152.4 Ų | 152.4 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -116.3 | 34.4 | -173.5 | -66.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 606 | N | 31 | Very low | 29.3 | Very low | 144 Ų | 144 | 151.5 Ų | 151.5 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -156 | 73.1 | 172.7 | -109.2 | -32 | 0 | 0 | 0 | 113.3 | ||||
| 607 | K | 25.8 | Very low | 29.2 | Very low | 195 Ų | 195 | 156.5 Ų | 156.5 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -138.6 | 103.4 | 161.6 | -82.7 | -168.5 | 175.7 | 178.4 | 0 | 111.1 | V609 | K607-V609 PolarHBondContact O-N 3.32Š| ||
| 608 | S | 25.3 | Very low | 29 | Very low | 119 Ų | 119 | 157 Ų | 157 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -71.3 | 122.8 | 170.8 | -47.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 609 | V | 25 | Very low | 28.5 | Very low | 125 Ų | 125 | 160.3 Ų | 160.3 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -88.2 | 107.2 | 169.6 | 178 | 0 | 0 | 0 | 0 | 109 | K607 M611 | K607-V609 PolarHBondContact O-N 3.32Å; V609-M611 HydrophobicContact CG1-CG 4.33Å; V609-M611 PolarHBondContact O-N 2.84Å | ||
| 610 | K | 23.9 | Very low | 28.1 | Very low | 203 Ų | 203 | 161.3 Ų | 161.3 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -76.5 | 101 | 164.8 | -80.4 | -175.4 | 174.4 | 179.7 | 0 | 109.2 | ||||
| 611 | M | 24 | Very low | 27.6 | Very low | 157 Ų | 157 | 159.2 Ų | 159.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -86.9 | 132.5 | 157.1 | -87.3 | -69.2 | 176.4 | 0 | 0 | 109.3 | V609 | V609-M611 HydrophobicContact CG1-CG 4.33Å; V609-M611 PolarHBondContact O-N 2.84Å | ||
| 612 | K | 23.9 | Very low | 27.1 | Very low | 198 Ų | 198 | 156.3 Ų | 156.3 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -81.4 | 140.5 | 171.6 | -65.3 | 176.5 | 179.2 | 177 | 0 | 108.8 | ||||
| 613 | F | 24.3 | Very low | 26.6 | Very low | 198 Ų | 198 | 154.9 Ų | 154.9 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -133.1 | 139 | 154.6 | -89.2 | -82.5 | 0 | 0 | 0 | 109.8 | ||||
| 614 | Q | 22.9 | Very low | 26.2 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -93.2 | 154 | 171.9 | -70.3 | 166.4 | -93.1 | 0 | 0 | 109.1 | ||||
| 615 | H | 24 | Very low | 25.7 | Very low | 184 Ų | 184 | 155 Ų | 155 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -63.7 | 142.6 | 166.3 | -108.1 | -67.8 | 0 | 0 | 0 | 110.8 | ||||
| 616 | P | 27.7 | Very low | 25.3 | Very low | 114 Ų | 114 | 156.9 Ų | 156.9 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | -113.2 | -178.1 | 117.2 | -13.3 | 31.6 | 0 | 0 | 0 | 114.1 | |||||
| 617 | Q | 25.1 | Very low | 25 | Very low | 183 Ų | 183 | 155.9 Ų | 155.9 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -86.3 | 164.1 | 174.1 | -81.1 | 178.3 | -76 | 0 | 0 | 112.7 | ||||
| 618 | P | 32.3 | Very low | 24.9 | Very low | 120 Ų | 120 | 151 Ų | 151 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -79 | 149.6 | 173.1 | 33.7 | -35.9 | 0 | 0 | 0 | 112.8 | ||||
| 619 | Q | 24.6 | Very low | 24.8 | Very low | 191 Ų | 191 | 153 Ų | 153 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | -139.3 | 161.9 | 160.6 | -71.8 | -168.4 | -25.6 | 0 | 0 | 109.6 | ||||
| 620 | N | 26.4 | Very low | 24.8 | Very low | 148 Ų | 148 | 156 Ų | 156 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -68.8 | 157.3 | 179.6 | -51.9 | -31.7 | 0 | 0 | 0 | 110 | ||||
| 621 | D | 24.1 | Very low | 24.9 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | -166.2 | 140.6 | 74 | -106.3 | -51.1 | 0 | 0 | 0 | 115.7 | |||||
| 622 | T | 24.6 | Very low | 25 | Very low | 100 Ų | 100 | 152.9 Ų | 152.9 | 61% | 0.613 | 78% | 0.779 | S | S | * | * | 28.8 | 143.2 | 125.2 | -36.1 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 623 | H | 24.9 | Very low | 25 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | trans | 88.9 | 154.6 | 166.6 | -61.8 | -77.1 | 0 | 0 | 0 | 119.4 | ||||
| 624 | V | 24.1 | Very low | 26.4 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 62% | 0.624 | 77% | 0.765 | S | S | * | * | -177.2 | 146.5 | -50.4 | 133.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 625 | F | 23.7 | Very low | 26.5 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | trans | 63 | 166.8 | 167.4 | -71.3 | -32.5 | 0 | 0 | 0 | 119.3 | ||||
| 626 | Q | 24.5 | Very low | 26.7 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | cis | -175.4 | 148.7 | -37.7 | -161.3 | 179.8 | 3.7 | 0 | 0 | 110.8 | ||||
| 627 | T | 24.1 | Very low | 26.5 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 63.4 | 165.1 | 156.2 | 29.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 628 | S | 24 | Very low | 26.5 | Very low | 93 Ų | 93 | 140 Ų | 140 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | -167.4 | 146.1 | -9.8 | 44.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 629 | M | 23.6 | Very low | 26.1 | Very low | 161 Ų | 161 | 138 Ų | 138 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | trans | 69.8 | 163.5 | 136.5 | -75.8 | -167.2 | 170.9 | 0 | 0 | 125.2 | ||||
| 630 | F | 24.3 | Very low | 26.1 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | trans | 71.8 | 117.2 | 172 | -57.1 | -74.7 | 0 | 0 | 0 | 117 | ||||
| 631 | A | 26.3 | Very low | 26.1 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | cis | 89.6 | 111.8 | 12 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 632 | K | 24.9 | Very low | 26.2 | Very low | 208 Ų | 208 | 139 Ų | 139 | 90% | 0.904 | 74% | 0.74 | S | S | * | * | trans | -171.5 | 149.8 | 145.7 | -107.5 | 165.4 | -175 | 179 | 0 | 113.4 | ||||
| 633 | N | 25.7 | Very low | 26.3 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | -138.6 | -174.3 | 169.1 | -102.9 | -1.8 | 0 | 0 | 0 | 105.1 | ||||
| 634 | P | 52.3 | Low | 26.4 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | cis | -131.8 | -153.4 | -5 | 38.7 | -17.7 | 0 | 0 | 0 | 113.3 | ||||
| 635 | H | 26.5 | Very low | 26.5 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | trans | 108.2 | 130.5 | 160.8 | -62.3 | -66.7 | 0 | 0 | 0 | 116.5 | ||||
| 636 | S | 26.4 | Very low | 26.6 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | cis | 124.9 | 116.6 | -7.3 | 69 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 637 | L | 24.9 | Very low | 26.7 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 93% | 0.927 | 74% | 0.738 | S | S | * | * | trans | -175.2 | 174.6 | 147.8 | -107.2 | 165.2 | 0 | 0 | 0 | 111.9 | ||||
| 638 | S | 23.4 | Very low | 26.8 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | -163.4 | 157.9 | -159.8 | 56.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 639 | A | 25.2 | Very low | 26.9 | Very low | 77 Ų | 77 | 139.5 Ų | 139.5 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | 83.7 | 153.8 | 148.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 640 | F | 25 | Very low | 27 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | trans | 63.9 | 162.1 | 171.3 | -60.5 | -73.8 | 0 | 0 | 0 | 115.9 | ||||
| 641 | E | 25.5 | Very low | 27 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | cis | -162.4 | 164.6 | 2.3 | -121 | 146.3 | -135.3 | 0 | 0 | 106.6 | ||||
| 642 | E | 27.3 | Very low | 27 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | cis | -164.3 | 161.4 | -7.4 | -149.8 | -160.8 | -161.1 | 0 | 0 | 112 | ||||
| 643 | N | 25.7 | Very low | 27.1 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 60% | 0.604 | 73% | 0.725 | S | S | * | * | trans | 69.9 | 156 | 139.7 | -107 | -22.6 | 0 | 0 | 0 | 127.9 | ||||
| 644 | N | 26.6 | Very low | 27.2 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 58% | 0.583 | 73% | 0.729 | S | S | * | * | trans | 73.4 | 116 | 153 | -69.9 | -22.4 | 0 | 0 | 0 | 120.8 | ||||
| 645 | Q | 26.7 | Very low | 25.8 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | 91.8 | 149.1 | 81.1 | -81.4 | 177.8 | -18.6 | 0 | 0 | 112.8 | |||||
| 646 | D | 26.4 | Very low | 25.7 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | cis | -168.8 | 170.4 | -23.2 | -164 | -2.1 | 0 | 0 | 0 | 107.6 | ||||
| 647 | Q | 26.1 | Very low | 25.6 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | 64.5 | 171.3 | 166.8 | -68.6 | 175.7 | 41.9 | 0 | 0 | 117.6 | ||||
| 648 | V | 25.8 | Very low | 25.7 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | -172 | 157.9 | -54.7 | 129.1 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 649 | S | 25.6 | Very low | 25.7 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | 66.5 | 164.1 | 170.3 | 74.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 650 | D | 25.6 | Very low | 25.7 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | cis | -166.2 | 159.9 | -45 | -168.1 | 4.1 | 0 | 0 | 0 | 107.2 | ||||
| 651 | S | 26.2 | Very low | 25.6 | Very low | 89 Ų | 89 | 137.9 Ų | 137.9 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | trans | 58.8 | 118.9 | 154.7 | 70.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 652 | R | 25.6 | Very low | 25.5 | Very low | 205 Ų | 205 | 138 Ų | 138 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | 70 | 122.1 | 123.8 | -74.7 | -172.2 | 138.7 | 125.8 | 1.8 | 124.7 | |||||
| 653 | E | 27.3 | Very low | 25.4 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | 77.8 | 127.7 | 121.5 | -68.9 | 162.2 | -168.3 | 0 | 0 | 123 | |||||
| 654 | E | 27.1 | Very low | 26.4 | Very low | 197 Ų | 197 | 137.4 Ų | 137.4 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | 60.8 | 149.3 | 151.4 | -60 | -166.7 | 167.9 | 0 | 0 | 122.4 | ||||
| 655 | G | 23.5 | Very low | 26.3 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | 155.3 | 62.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 656 | I | 24.6 | Very low | 26.3 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | 36 | 98.8 | 138.1 | -54.7 | 170 | 0 | 0 | 0 | 120 | ||||
| 657 | A | 24.5 | Very low | 26.2 | Very low | 83 Ų | 83 | 136.1 Ų | 136.1 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | 55.4 | 159.5 | 117.8 | 0 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 658 | Q | 25.5 | Very low | 26.1 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | 72.8 | 153 | 165.4 | -58.2 | -167.4 | 22 | 0 | 0 | 117.6 | ||||
| 659 | T | 24.5 | Very low | 26.1 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | cis | 165.1 | 112.7 | -22.7 | -82.6 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 660 | I | 24.5 | Very low | 26 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -135 | 138.8 | 160.9 | -62.4 | -175.7 | 0 | 0 | 0 | 108.6 | ||||
| 661 | S | 23.4 | Very low | 26.1 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | trans | -129.1 | 142.2 | 177.4 | 171.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 662 | L | 24 | Very low | 26.1 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -158.6 | 117.5 | 161.8 | -106.3 | 166.2 | 0 | 0 | 0 | 111.2 | ||||
| 663 | N | 23.8 | Very low | 26.2 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -105.2 | -162.2 | 159.6 | -69.6 | -50 | 0 | 0 | 0 | 106.8 | ||||
| 664 | P | 47.9 | Very low | 26.1 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -137 | 178.2 | -11 | 42.4 | -25.7 | 0 | 0 | 0 | 115.4 | ||||
| 665 | A | 23.9 | Very low | 26.2 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 166.6 | 113 | 137 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 666 | T | 25.7 | Very low | 26.3 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | cis | 83.8 | 109.1 | 38.5 | -47.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 667 | L | 25.5 | Very low | 26.8 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | 170.5 | 137.8 | 153.6 | -91.8 | 172.1 | 0 | 0 | 0 | 105.1 | ||||
| 668 | T | 23.4 | Very low | 26.8 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | cis | -164.1 | 155.3 | -25.1 | 3.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 669 | A | 25.2 | Very low | 27.1 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | cis | -137.4 | -141.8 | 0.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 670 | N | 24.4 | Very low | 27.2 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | cis | -152.1 | -141.9 | 1.3 | -156 | -18.9 | 0 | 0 | 0 | 110.7 | ||||
| 671 | H | 27.5 | Very low | 27.1 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 75% | 0.745 | 76% | 0.756 | S | S | * | * | trans | -146.1 | 159.7 | -162.2 | -76 | -25.7 | 0 | 0 | 0 | 111.3 | ||||
| 672 | R | 26.3 | Very low | 27.3 | Very low | 218 Ų | 218 | 138.8 Ų | 138.8 | 82% | 0.823 | 77% | 0.766 | S | S | * | * | cis | -155.1 | 158.8 | 22.6 | -136.5 | 168.3 | -154.5 | -166.7 | 7.3 | 111.8 | ||||
| 673 | K | 27.3 | Very low | 27.4 | Very low | 188 Ų | 188 | 135.8 Ų | 135.8 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | 0.9 | 149.5 | 146.2 | -64.6 | 178.1 | -177.4 | -178.2 | 0 | 118.7 | ||||
| 674 | S | 25.7 | Very low | 27.5 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | cis | 178.6 | 163.1 | 0.3 | 48.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 675 | K | 28.6 | Very low | 26.4 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 81% | 0.809 | 76% | 0.759 | S | S | * | * | trans | 53.8 | 128.5 | 145.7 | -83.7 | -171.5 | 174.1 | -172.8 | 0 | 121.8 | ||||
| 676 | I | 25.5 | Very low | 26.5 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | 81.7 | 136.4 | 139.9 | -64.4 | 168.9 | 0 | 0 | 0 | 119.1 | ||||
| 677 | S | 36.4 | Very low | 26.6 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | trans | -37.8 | 130.2 | 169.7 | 163.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 678 | L | 23.7 | Very low | 26.8 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | -148.7 | 145.6 | 123.6 | -91 | 131.3 | 0 | 0 | 0 | 106 | A680 | L678-A680 HydrophobicContact CB-CB 3.87Å; L678-A680 HydrophobicContact CD2-CB 4.34Å | |||
| 679 | A | 32.3 | Very low | 26.9 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | cis | 58.4 | 25.7 | 35.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 680 | A | 24.9 | Very low | 27 | Very low | 66 Ų | 66 | 141.6 Ų | 141.6 | 55% | 0.545 | 73% | 0.726 | S | S | . | * | trans | -151.3 | 154.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L678 | L678-A680 HydrophobicContact CB-CB 3.87Å; L678-A680 HydrophobicContact CD2-CB 4.34Å | ||
| 681 | K | 24.2 | Very low | 27.1 | Very low | 209 Ų | 209 | 142.5 Ų | 142.5 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | trans | 68.2 | 73.5 | 174.5 | -56.8 | -172.6 | 179 | -175.8 | 0 | 115.9 | ||||
| 682 | L | 26.7 | Very low | 27.1 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | trans | -54 | 172 | 145.9 | -88.1 | 164.2 | 0 | 0 | 0 | 113.2 | ||||
| 683 | C | 25.7 | Very low | 27.3 | Very low | 99 Ų | 99 | 138 Ų | 138 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | trans | 95.1 | 143.8 | 152.2 | -64.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 684 | H | 26.5 | Very low | 27.3 | Very low | 168 Ų | 168 | 135 Ų | 135 | 78% | 0.778 | 71% | 0.707 | S | S | * | * | trans | 71.6 | 141.6 | 159.4 | -61.3 | -50 | 0 | 0 | 0 | 118 | ||||
| 685 | L | 25.3 | Very low | 28.4 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | cis | -121.5 | 170.2 | -6 | -81.8 | 106.5 | 0 | 0 | 0 | 109.3 | ||||
| 686 | K | 25.1 | Very low | 28.4 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | 59.3 | 144.4 | 50.9 | -102.7 | -179 | 159 | -139.6 | 0 | 111.6 | |||||
| 687 | Q | 28.3 | Very low | 28.5 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 58% | 0.579 | 69% | 0.693 | S | S | * | * | cis | -162.5 | 151.4 | 9.8 | -153 | 161 | -37.3 | 0 | 0 | 111.5 | ||||
| 688 | H | 30.1 | Very low | 28.2 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 66% | 0.662 | 69% | 0.692 | S | S | * | * | trans | 34.1 | 152 | 144.2 | -74.5 | -126.6 | 0 | 0 | 0 | 124.7 | ||||
| 689 | M | 25.1 | Very low | 28.5 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | -170.3 | 116.3 | 106.8 | -82.3 | -73.7 | 83.4 | 0 | 0 | 105.9 | |||||
| 690 | T | 26.7 | Very low | 28.6 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 45% | 0.454 | 69% | 0.685 | S | S | . | * | 62.1 | 151.4 | 94.3 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 691 | E | 26.2 | Very low | 28.8 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 73% | 0.729 | 69% | 0.691 | S | S | * | * | cis | -128.8 | -176.9 | 13.8 | -66.4 | 77 | -118.9 | 0 | 0 | 111 | ||||
| 692 | D | 27.4 | Very low | 29.1 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | cis | -179.2 | 164.9 | -39.8 | -77.8 | -14.2 | 0 | 0 | 0 | 106.8 | ||||
| 693 | E | 32.4 | Very low | 29.2 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 73% | 0.729 | 68% | 0.677 | S | S | * | * | cis | -166.3 | 167.4 | -24.1 | -104.3 | -69 | 26.5 | 0 | 0 | 111.2 | ||||
| 694 | E | 27.3 | Very low | 29.3 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 59% | 0.589 | 68% | 0.678 | S | S | * | * | trans | 67.5 | 162.8 | 151.8 | -80.2 | -73.8 | 89.2 | 0 | 0 | 122.3 | L696 | E694-L696 PolarHBondContact OE1-N 3.1Å; E694-L696 WeakPolarHBondContact OE2-CD2 3.47Å; E694-L696 PolarHBondContact OE2-N 2.9Å | ||
| 695 | P | 48.1 | Very low | 29.7 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 69% | 0.688 | 68% | 0.677 | S | S | * | * | cis | -129.7 | 142.3 | 15.5 | 23.4 | 1.8 | 0 | 0 | 0 | 121.5 | ||||
| 696 | L | 28.2 | Very low | 30 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 62% | 0.623 | 67% | 0.674 | S | S | * | * | trans | 63 | 149.3 | 144.2 | -52.9 | 171.4 | 0 | 0 | 0 | 119.2 | E694 | E694-L696 PolarHBondContact OE1-N 3.1Å; E694-L696 WeakPolarHBondContact OE2-CD2 3.47Å; E694-L696 PolarHBondContact OE2-N 2.9Å | ||
| 697 | Q | 28.6 | Very low | 30.6 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 65% | 0.654 | 67% | 0.671 | S | S | * | * | cis | -172.6 | 171.9 | -4.3 | -102.2 | 168.9 | -39.3 | 0 | 0 | 107 | ||||
| 698 | H | 30.3 | Very low | 30.6 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 65% | 0.648 | 68% | 0.681 | S | S | * | * | cis | -158.6 | 137.9 | -3.8 | -124.3 | -55.2 | 0 | 0 | 0 | 111.6 | ||||
| 699 | T | 30.1 | Very low | 30.5 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | trans | 7.8 | 155.6 | 140.3 | 61.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 700 | H | 32.8 | Very low | 30.4 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | cis | -139 | -168.5 | 19.6 | -106 | -78.6 | 0 | 0 | 0 | 110.2 | D702 | H700-D702 IonicContact CE1-OD2 2.72Å; H700-D702 PolarHBondContact CE1-OD2 3.46Å; H700-D702 IonicContact CG-OD2 2.97Å; H700-D702 IonicContact ND1-OD2 3.89Å; H700-D702 PolarHBondContact ND1-OD2 3.44Å | ||
| 701 | G | 29.5 | Very low | 30.3 | Very low | 66 Ų | 66 | 129.2 Ų | 129.2 | 68% | 0.68 | 69% | 0.691 | S | S | * | * | cis | 151.6 | 175.2 | 3.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 702 | D | 30.1 | Very low | 30.2 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 67% | 0.668 | 69% | 0.692 | S | S | * | * | cis | -172.4 | 166 | -14.9 | -116.9 | -66.9 | 0 | 0 | 0 | 113.3 | H700 | H700-D702 IonicContact CE1-OD2 2.72Å; H700-D702 PolarHBondContact CE1-OD2 3.46Å; H700-D702 IonicContact CG-OD2 2.97Å; H700-D702 IonicContact ND1-OD2 3.89Å; H700-D702 PolarHBondContact ND1-OD2 3.44Å | ||
| 703 | I | 28.4 | Very low | 30 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | trans | 75 | 159.1 | 162.4 | -64.6 | 168.4 | 0 | 0 | 0 | 120.3 | ||||
| 704 | S | 29.1 | Very low | 29.5 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | trans | -156.9 | 164.1 | -140.8 | 59 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 705 | E | 34.9 | Very low | 29.5 | Very low | 160 Ų | 160 | 125.5 Ų | 125.5 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | 62.7 | 164.6 | 159.2 | -71.4 | -157.7 | 120 | 0 | 0 | 117.9 | K707 | E705-K707 IonicContact OE1-NZ 3.28Å; E705-K707 PolarHBondContact OE1-NZ 3.44Å | ||
| 706 | D | 31.4 | Very low | 28.5 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | cis | -149.3 | -167.4 | 27.1 | -159.8 | 0.3 | 0 | 0 | 0 | 114.5 | ||||
| 707 | K | 38.4 | Very low | 28.4 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | trans | -84.2 | 167.8 | -168.5 | -59 | 155.3 | -159.2 | 76.2 | 0 | 111.9 | E705 | E705-K707 IonicContact OE1-NZ 3.28Å; E705-K707 PolarHBondContact OE1-NZ 3.44Å | ||
| 708 | N | 26.9 | Very low | 28.3 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | cis | -173.4 | 150.7 | 46 | -158 | 13 | 0 | 0 | 0 | 114.7 | ||||
| 709 | S | 28.3 | Very low | 28 | Very low | 83 Ų | 83 | 128.6 Ų | 128.6 | 58% | 0.58 | 70% | 0.702 | S | S | * | * | trans | 39.4 | 134.7 | 146.9 | 67.8 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 710 | L | 23.6 | Very low | 27.6 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | 90.9 | 139.8 | 139.1 | -77.2 | 164.9 | 0 | 0 | 0 | 122.7 | ||||
| 711 | T | 24.6 | Very low | 27.1 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 71% | 0.712 | S | S | * | * | trans | 74.5 | 138.3 | 146.2 | 40.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 712 | L | 23.3 | Very low | 26.8 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | 66.7 | 131.3 | 145.2 | -97.4 | 76.2 | 0 | 0 | 0 | 121.1 | ||||
| 713 | S | 23.1 | Very low | 26.5 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | trans | 80.7 | 138.8 | 130.7 | 71.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 714 | T | 23.4 | Very low | 26.2 | Very low | 110 Ų | 110 | 135 Ų | 135 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | cis | -160.4 | 165.8 | -12.6 | 14.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 715 | D | 26.1 | Very low | 25.9 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | 24.8 | 142.5 | 123.9 | -38.5 | -15.1 | 0 | 0 | 0 | 118.3 | |||||
| 716 | D | 26.8 | Very low | 26.6 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | cis | -166.8 | 166.4 | 12.2 | -140 | -10.6 | 0 | 0 | 0 | 115.6 | ||||
| 717 | T | 27.1 | Very low | 26.3 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 60% | 0.601 | 72% | 0.721 | S | S | * | * | trans | 61.8 | 162 | 147.8 | 60.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 718 | Q | 25.6 | Very low | 25.7 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | cis | -150.6 | 153.4 | -10 | -121 | 154.3 | 46.7 | 0 | 0 | 105.5 | ||||
| 719 | Y | 23.5 | Very low | 25.6 | Very low | 207 Ų | 207 | 136.1 Ų | 136.1 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | cis | -142.5 | 172.6 | 41.4 | -108.2 | -86.1 | 0 | 0 | 0 | 113.6 | ||||
| 720 | R | 22.6 | Very low | 25.4 | Very low | 223 Ų | 223 | 140.8 Ų | 140.8 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | trans | -149.9 | 166.4 | -175.5 | -157.1 | -173.5 | -157.8 | -175.9 | 9.3 | 109.2 | ||||
| 721 | I | 23.4 | Very low | 25.6 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | 97.4 | 135.9 | 161.1 | -56.6 | 159.8 | 0 | 0 | 0 | 118 | ||||
| 722 | S | 21.2 | Very low | 26.5 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | 65.2 | 153.2 | 165 | 73.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 723 | S | 24.2 | Very low | 26.7 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | cis | -141.1 | 137.3 | 8.5 | -65.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 724 | Q | 22.7 | Very low | 26.9 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | 58 | 136.5 | 89.8 | -61.7 | -170.5 | -3.1 | 0 | 0 | 119.2 | |||||
| 725 | N | 23.1 | Very low | 28.2 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | 79.2 | 157.4 | 149.7 | -84.7 | -9.5 | 0 | 0 | 0 | 121.2 | ||||
| 726 | P | 50.2 | Low | 29.4 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | trans | -139.7 | -164.6 | -140 | 42.9 | -22.5 | 0 | 0 | 0 | 115.5 | ||||
| 727 | Q | 24.7 | Very low | 29.7 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | 132 | 125.8 | 147.3 | -70 | -167.7 | 17.1 | 0 | 0 | 114.6 | ||||
| 728 | N | 25 | Very low | 29.8 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | trans | 32.6 | 142.7 | 133.8 | -53.8 | -25.9 | 0 | 0 | 0 | 120.7 | ||||
| 729 | H | 25.7 | Very low | 30.1 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | cis | -147.6 | 162.3 | 37.6 | -93.6 | -79.7 | 0 | 0 | 0 | 115.8 | ||||
| 730 | K | 23.8 | Very low | 30.4 | Very low | 182 Ų | 182 | 137.1 Ų | 137.1 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -14.6 | 133.5 | 159.7 | -62 | 177.2 | 178.4 | 179.7 | 0 | 119.4 | ||||
| 731 | V | 28 | Very low | 30.5 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | 32.8 | 129.2 | 107.9 | 169.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 732 | P | 42.6 | Very low | 30.8 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | cis | -151.3 | 163.4 | 47.7 | 34 | -10.2 | 0 | 0 | 0 | 121.4 | ||||
| 733 | V | 28.4 | Very low | 31.2 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 64.3 | 113.7 | 133.6 | 173.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 734 | D | 27.5 | Very low | 31.5 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | 60.3 | -175.5 | 136.1 | -49.3 | -8.8 | 0 | 0 | 0 | 121 | ||||
| 735 | P | 49.9 | Very low | 31.7 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | -134.4 | -145.6 | -95.9 | 43.4 | -23.3 | 0 | 0 | 0 | 112.9 | |||||
| 736 | P | 52.3 | Low | 31.8 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | -112.1 | -177.7 | -63 | 26.9 | -6.3 | 0 | 0 | 0 | 112 | |||||
| 737 | S | 32.5 | Very low | 30.7 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | trans | -151.9 | 157.7 | 174.2 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 738 | D | 28.7 | Very low | 31.1 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -155.1 | 142.8 | 171.9 | -172.4 | 11.1 | 0 | 0 | 0 | 109.7 | ||||
| 739 | S | 32.8 | Very low | 31.1 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 159.3 | 140.2 | 158.9 | 46.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 740 | S | 29.6 | Very low | 31.4 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | 70.1 | 167.8 | 152.1 | 83.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 741 | C | 24.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | cis | -147.7 | -149.1 | 2.9 | -154.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 742 | K | 29.5 | Very low | 32.2 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | -119.3 | 153.3 | -159.6 | -66.7 | 179.8 | 176.8 | -178.3 | 0 | 117.4 | ||||
| 743 | Q | 29.3 | Very low | 31.9 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | 51.4 | 129.6 | 139.8 | -67.7 | 173.4 | -66 | 0 | 0 | 122.7 | ||||
| 744 | L | 29.4 | Very low | 32.8 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 94% | 0.942 | 79% | 0.789 | S | S | * | * | -173.9 | -172.3 | 108.9 | -95.6 | 167.7 | 0 | 0 | 0 | 111.5 | |||||
| 745 | A | 28.4 | Very low | 34.3 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -131.6 | 164.7 | -153.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 746 | G | 25.6 | Very low | 35 | Very low | 79 Ų | 79 | 125 Ų | 125 | 81% | 0.814 | 73% | 0.734 | S | S | * | * | trans | 92.9 | 137.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 747 | D | 25.8 | Very low | 35.8 | Very low | 158 Ų | 158 | 123.5 Ų | 123.5 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | cis | -147.1 | -171.3 | 4.5 | -159.4 | 4.1 | 0 | 0 | 0 | 111.4 | ||||
| 748 | E | 33.3 | Very low | 37.6 | Very low | 190 Ų | 190 | 122.3 Ų | 122.3 | 89% | 0.888 | 70% | 0.699 | S | S | * | * | trans | -47.5 | 140.9 | -164 | -64.3 | -166.8 | 146.8 | 0 | 0 | 119.5 | ||||
| 749 | G | 25.2 | Very low | 39.6 | Very low | 69 Ų | 69 | 119.2 Ų | 119.2 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | trans | -174.7 | 123.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S751 | G749-S751 PolarHBondContact O-N 2.98Š| ||
| 750 | D | 32.3 | Very low | 41 | Very low | 157 Ų | 157 | 121 Ų | 121 | 84% | 0.84 | 67% | 0.672 | S | S | * | * | trans | -31.6 | 89.3 | -173.6 | -175.9 | 25.3 | 0 | 0 | 0 | 115.9 | R752 | D750-R752 PolarHBondContact O-N 2.93Š| ||
| 751 | S | 33.7 | Very low | 42.3 | Very low | 105 Ų | 105 | 116.6 Ų | 116.6 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | trans | -88.2 | 97.9 | -175.6 | -163.3 | 0 | 0 | 0 | 0 | 111 | G749 C753 | G749-S751 PolarHBondContact O-N 2.98Å; S751-C753 VanDerWaalsContact C-N 3.32Å; S751-C753 PolarHBondContact O-N 3.41Å | ||
| 752 | R | 35.8 | Very low | 43.6 | Very low | 223 Ų | 223 | 115 Ų | 115 | 84% | 0.842 | 63% | 0.634 | S | S | * | * | trans | -55.4 | 93.9 | 163.3 | -75.5 | -179.9 | 168.1 | -170.5 | -4.6 | 109.7 | D750 N754 | D750-R752 PolarHBondContact O-N 2.93Å; R752-N754 PolarHBondContact O-N 3.13Å; R752-N754 VanDerWaalsContact O-N 3.08Å | ||
| 753 | C | 34.5 | Very low | 44.4 | Very low | 102 Ų | 102 | 112.1 Ų | 112.1 | 69% | 0.689 | 64% | 0.635 | S | S | * | * | trans | -65.1 | 112 | -176.1 | -168.4 | 0 | 0 | 0 | 0 | 110.5 | S751 D755 | S751-C753 VanDerWaalsContact C-N 3.32Å; S751-C753 PolarHBondContact O-N 3.41Å; C753-D755 PolarHBondContact O-N 3.4Å | ||
| 754 | N | 49.1 | Very low | 45.6 | Very low | 111 Ų | 111 | 107.8 Ų | 107.8 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | trans | -62.1 | 119.1 | 177.2 | -78.9 | -22.1 | 0 | 0 | 0 | 110.4 | R752 W756 K772 | R752-N754 PolarHBondContact O-N 3.13Å; R752-N754 VanDerWaalsContact O-N 3.08Å; N754-W756 PolarHBondContact O-N 3.12Å; N754-K772 PolarHBondContact O-NZ 2.88Å; N754-K772 VanDerWaalsContact O-NZ 3.1Å | ||
| 755 | D | 57 | Low | 47 | Very low | 37 Ų | 37 | 101.1 Ų | 101.1 | 20% | 0.198 | 60% | 0.595 | C | S | . | * | S | Bend | trans | -67.3 | 4.5 | 179.9 | -87 | -35.2 | 0 | 0 | 0 | 114.2 | C753 N771 K772 K773 | C753-D755 PolarHBondContact O-N 3.4Å; D755-N771 CarbonylContact O-C 3.54Å; D755-N771 WeakPolarHBondContact O-CA 3.48Å; D755-K772 PolarHBondContact O-N 3.36Å; D755-K773 WeakPolarHBondContact OD1-CD 3.18Å; D755-K773 WeakPolarHBondContact OD1-CE 3.47Å; D755-K773 IonicContact OD1-NZ 2.73Å; D755-K773 PolarHBondContact OD1-NZ 2.88Å; D755-K773 IonicContact OD2-NZ 3.59Å; D755-K773 PolarHBondContact OD2-NZ 2.89Å |
| 756 | W | 65.8 | Low | 48.5 | Very low | 39 Ų | 39 | 102 Ų | 102 | 15% | 0.148 | 58% | 0.58 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 148.1 | 179.7 | -61.8 | 86.6 | 0 | 0 | 0 | 111.2 | N754 Y769 I770 N771 K772 R778 P782 | N754-W756 PolarHBondContact O-N 3.12Å; W756-Y769 WeakPolarHBondContact CZ3-O 3.38Å; W756-I770 CarbonylContact C-O 3.56Å; W756-I770 WeakPolarHBondContact CA-O 3.48Å; W756-N771 HydrophobicContact CD2-CB 3.95Å; W756-N771 HydrophobicContact CE3-CB 3.74Å; W756-N771 VanDerWaalsContact CE3-N 3.27Å; W756-N771 HydrophobicContact CH2-CB 3.85Å; W756-N771 HydrophobicContact CZ2-CB 4.06Å; W756-N771 HydrophobicContact CZ3-CB 3.69Å; W756-K772 VanDerWaalsContact O-CE 3.26Å; W756-K772 WeakPolarHBondContact O-CE 3.44Å; W756-K772 PolarHBondContact O-NZ 3.34Å; W756-R778 HydrophobicContact CZ3-CG 4.28Å; W756-P782 HydrophobicContact CD2-CB 4.45Å; W756-P782 HydrophobicContact CD2-CG 3.79Å; W756-P782 HydrophobicContact CE3-CG 4.31Å; W756-P782 HydrophobicContact CG-CG 3.92Å; W756-P782 HydrophobicContact CZ2-CB 4.11Å; W756-P782 HydrophobicContact CZ2-CG 4.35Å |
| 757 | L | 68 | Low | 50.2 | Low | 92 Ų | 92 | 100.6 Ų | 100.6 | 48% | 0.482 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.7 | 173 | -176.9 | 72 | 0 | 0 | 0 | 107.7 | Y769 I770 K772 | L757-Y769 CarbonylContact O-C 3.31Å; L757-Y769 WeakPolarHBondContact O-CA 3.27Å; L757-I770 PolarHBondContact N-O 3.38Å; L757-I770 PolarHBondContact O-N 3.43Å; L757-K772 HydrophobicContact CB-CG 4.2Å |
| 758 | H | 71.5 | Confident | 52.5 | Low | 101 Ų | 101 | 93.2 Ų | 93.2 | 47% | 0.468 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129 | 179.9 | -49.8 | -97.7 | 0 | 0 | 0 | 109.1 | T767 V768 Y769 | H758-T767 HydrophobicContact CB-CG2 4.08Å; H758-V768 WeakPolarHBondContact CA-O 3.28Å; H758-Y769 AromaticContact CE1-CD1 3.44Å; H758-Y769 VanDerWaalsContact CE1-CD1 3.44Å; H758-Y769 WeakPolarHBondContact CE1-CD1 3.21Å; H758-Y769 AromaticContact CE1-CE1 3.41Å; H758-Y769 VanDerWaalsContact CE1-CE1 3.41Å; H758-Y769 WeakPolarHBondContact CE1-CE1 3.27Å; H758-Y769 AromaticContact ND1-CD1 3.18Å; H758-Y769 WeakPolarHBondContact ND1-CD1 3.49Å; H758-Y769 AromaticContact ND1-CE1 3.11Å; H758-Y769 WeakPolarHBondContact ND1-CE1 3.43Å |
| 759 | H | 69.4 | Low | 54.4 | Low | 93 Ų | 93 | 85.5 Ų | 85.5 | 43% | 0.431 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 125.8 | 178.5 | -178.1 | 76.9 | 0 | 0 | 0 | 109.8 | D761 V768 | H759-D761 PolarHBondContact O-N 3.46Å; H759-V768 PolarHBondContact N-O 3.49Å; H759-V768 PolarHBondContact O-N 3.04Å |
| 760 | Y | 62.4 | Low | 56.4 | Low | 138 Ų | 138 | 84.1 Ų | 84.1 | 54% | 0.541 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 110.5 | -179.1 | -175.8 | -100.2 | 0 | 0 | 0 | 111 | A762 G765 | Y760-A762 HydrophobicContact CD1-CB 4.41Å; Y760-A762 HydrophobicContact CE1-CB 4.31Å; Y760-A762 PolarHBondContact O-N 3.21Å; Y760-G765 WeakPolarHBondContact OH-CA 3.29Å |
| 761 | D | 58.2 | Low | 58 | Low | 24 Ų | 24 | 77.3 Ų | 77.3 | 13% | 0.128 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 100.2 | 174.2 | -176.3 | -20.5 | 0 | 0 | 0 | 109.2 | H759 S763 V764 G765 K766 V768 Y779 | H759-D761 PolarHBondContact O-N 3.46Å; D761-S763 PolarHBondContact O-N 3.14Å; D761-S763 WeakPolarHBondContact OD1-CA 3.32Å; D761-S763 VanDerWaalsContact OD1-CB 3.32Å; D761-S763 WeakPolarHBondContact OD1-CB 3.46Å; D761-S763 PolarHBondContact OD1-N 2.97Å; D761-S763 PolarHBondContact OD1-OG 2.83Å; D761-V764 PolarHBondContact O-N 3.23Å; D761-V764 PolarHBondContact OD1-N 2.93Å; D761-V764 VanDerWaalsContact OD1-N 3.17Å; D761-V764 WeakPolarHBondContact OD2-CG2 3.49Å; D761-G765 WeakPolarHBondContact O-CA 3.36Å; D761-G765 PolarHBondContact O-N 3.28Å; D761-K766 PolarHBondContact N-O 3.22Å; D761-K766 PolarHBondContact O-N 2.72Å; D761-V768 HydrophobicContact CB-CG2 4.07Å; D761-Y779 HydrophobicContact CB-CE1 4.23Å; D761-Y779 PolarHBondContact OD2-OH 3.1Å; D761-Y779 VanDerWaalsContact OD2-OH 3.06Å |
| 762 | A | 52.2 | Low | 59 | Low | 85 Ų | 85 | 78.2 Ų | 78.2 | 70% | 0.702 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y760 | Y760-A762 HydrophobicContact CD1-CB 4.41Å; Y760-A762 HydrophobicContact CE1-CB 4.31Å; Y760-A762 PolarHBondContact O-N 3.21Å |
| 763 | S | 44.9 | Very low | 59.7 | Low | 110 Ų | 110 | 75 Ų | 75 | 77% | 0.769 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -29.3 | 177.2 | 78 | 0 | 0 | 0 | 0 | 112.7 | D761 | D761-S763 PolarHBondContact O-N 3.14Å; D761-S763 WeakPolarHBondContact OD1-CA 3.32Å; D761-S763 VanDerWaalsContact OD1-CB 3.32Å; D761-S763 WeakPolarHBondContact OD1-CB 3.46Å; D761-S763 PolarHBondContact OD1-N 2.97Å; D761-S763 PolarHBondContact OD1-OG 2.83Å |
| 764 | V | 54.3 | Low | 60.7 | Low | 72 Ų | 72 | 74.5 Ų | 74.5 | 44% | 0.436 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -13.6 | 176.9 | -173.8 | 0 | 0 | 0 | 0 | 112 | D761 K766 Y779 | D761-V764 PolarHBondContact O-N 3.23Å; D761-V764 PolarHBondContact OD1-N 2.93Å; D761-V764 VanDerWaalsContact OD1-N 3.17Å; D761-V764 WeakPolarHBondContact OD2-CG2 3.49Å; V764-K766 HydrophobicContact CG1-CD 4.48Å; V764-Y779 HydrophobicContact CB-CE1 4.17Å; V764-Y779 HydrophobicContact CG1-CE1 4.07Å |
| 765 | G | 59.7 | Low | 60.9 | Low | 40 Ų | 40 | 71.9 Ų | 71.9 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 31.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y760 D761 | Y760-G765 WeakPolarHBondContact OH-CA 3.29Å; D761-G765 WeakPolarHBondContact O-CA 3.36Å; D761-G765 PolarHBondContact O-N 3.28Å |
| 766 | K | 61 | Low | 60.8 | Low | 118 Ų | 118 | 74.9 Ų | 74.9 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 150.1 | -171.8 | -68.3 | -170.5 | 179.3 | -173.6 | 0 | 113.1 | D761 V764 Y779 | D761-K766 PolarHBondContact N-O 3.22Å; D761-K766 PolarHBondContact O-N 2.72Å; V764-K766 HydrophobicContact CG1-CD 4.48Å; K766-Y779 HydrophobicContact CB-CD1 3.71Å; K766-Y779 HydrophobicContact CB-CE1 4.23Å; K766-Y779 HydrophobicContact CD-CD1 4.34Å |
| 767 | T | 61.2 | Low | 60.8 | Low | 49 Ų | 49 | 75.4 Ų | 75.4 | 30% | 0.301 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.9 | 170.9 | -48 | 0 | 0 | 0 | 0 | 111.1 | H758 Y769 | H758-T767 HydrophobicContact CB-CG2 4.08Å; T767-Y769 HydrophobicContact CG2-CE2 4.11Å |
| 768 | V | 72.8 | Confident | 60.7 | Low | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.012 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 134.6 | 167.1 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | H758 H759 D761 I770 R778 Y779 | H758-V768 WeakPolarHBondContact CA-O 3.28Å; H759-V768 PolarHBondContact N-O 3.49Å; H759-V768 PolarHBondContact O-N 3.04Å; D761-V768 HydrophobicContact CB-CG2 4.07Å; V768-I770 HydrophobicContact CG1-CD1 4.28Å; V768-I770 HydrophobicContact CG1-CG1 3.67Å; V768-R778 CarbonylContact C-O 3.58Å; V768-R778 WeakPolarHBondContact CA-O 3.44Å; V768-Y779 HydrophobicContact CG2-CD1 3.7Å; V768-Y779 HydrophobicContact CG2-CE1 3.32Å; V768-Y779 HydrophobicContact CG2-CE2 4.42Å; V768-Y779 HydrophobicContact CG2-CG 4.42Å |
| 769 | Y | 74.5 | Confident | 60.6 | Low | 28 Ų | 28 | 73.4 Ų | 73.4 | 11% | 0.11 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 112.8 | 173.4 | -59.7 | -105.9 | 0 | 0 | 0 | 107.1 | W756 L757 H758 T767 S777 R778 E780 E781 P782 | W756-Y769 WeakPolarHBondContact CZ3-O 3.38Å; L757-Y769 CarbonylContact O-C 3.31Å; L757-Y769 WeakPolarHBondContact O-CA 3.27Å; H758-Y769 AromaticContact CE1-CD1 3.44Å; H758-Y769 VanDerWaalsContact CE1-CD1 3.44Å; H758-Y769 WeakPolarHBondContact CE1-CD1 3.21Å; H758-Y769 AromaticContact CE1-CE1 3.41Å; H758-Y769 VanDerWaalsContact CE1-CE1 3.41Å; H758-Y769 WeakPolarHBondContact CE1-CE1 3.27Å; H758-Y769 AromaticContact ND1-CD1 3.18Å; H758-Y769 WeakPolarHBondContact ND1-CD1 3.49Å; H758-Y769 AromaticContact ND1-CE1 3.11Å; H758-Y769 WeakPolarHBondContact ND1-CE1 3.43Å; T767-Y769 HydrophobicContact CG2-CE2 4.11Å; Y769-S777 CarbonylContact O-C 3.57Å; Y769-S777 WeakPolarHBondContact O-CA 3.42Å; Y769-R778 PolarHBondContact N-O 2.75Å; Y769-R778 PolarHBondContact O-N 3.48Å; Y769-E780 VanDerWaalsContact CD2-O 3.28Å; Y769-E780 WeakPolarHBondContact CD2-O 3.3Å; Y769-E781 HydrophobicContact CE1-CB 3.88Å; Y769-E781 HydrophobicContact CE1-CG 3.69Å; Y769-E781 WeakPolarHBondContact CE1-OE1 3.28Å; Y769-E781 HydrophobicContact CE2-CB 4.3Å; Y769-E781 PolarHBondContact OH-OE1 3.29Å; Y769-P782 HydrophobicContact CD1-CG 4.32Å |
| 770 | I | 65.6 | Low | 60.4 | Low | 40 Ų | 40 | 75 Ų | 75 | 21% | 0.205 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.6 | -176 | -49.4 | 178.3 | 0 | 0 | 0 | 109.9 | W756 L757 V768 K772 L776 | W756-I770 CarbonylContact C-O 3.56Å; W756-I770 WeakPolarHBondContact CA-O 3.48Å; L757-I770 PolarHBondContact N-O 3.38Å; L757-I770 PolarHBondContact O-N 3.43Å; V768-I770 HydrophobicContact CG1-CD1 4.28Å; V768-I770 HydrophobicContact CG1-CG1 3.67Å; I770-K772 PolarHBondContact O-N 2.85Å; I770-L776 CarbonylContact C-O 3.6Å; I770-L776 WeakPolarHBondContact CA-O 3.44Å |
| 771 | N | 67.3 | Low | 60.4 | Low | 15 Ų | 15 | 75.1 Ų | 75.1 | 8% | 0.08 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 121.6 | 179.2 | -171.5 | -73.7 | 0 | 0 | 0 | 111 | D755 W756 K773 T774 G775 L776 | D755-N771 CarbonylContact O-C 3.54Å; D755-N771 WeakPolarHBondContact O-CA 3.48Å; W756-N771 HydrophobicContact CD2-CB 3.95Å; W756-N771 HydrophobicContact CE3-CB 3.74Å; W756-N771 VanDerWaalsContact CE3-N 3.27Å; W756-N771 HydrophobicContact CH2-CB 3.85Å; W756-N771 HydrophobicContact CZ2-CB 4.06Å; W756-N771 HydrophobicContact CZ3-CB 3.69Å; N771-K773 PolarHBondContact O-N 2.81Å; N771-K773 WeakPolarHBondContact OD1-CA 3.46Å; N771-K773 WeakPolarHBondContact OD1-CB 3.39Å; N771-K773 PolarHBondContact OD1-N 3Å; N771-T774 WeakPolarHBondContact CB-OG1 3.49Å; N771-T774 PolarHBondContact OD1-N 3.46Å; N771-T774 PolarHBondContact OD1-OG1 2.98Å; N771-G775 WeakPolarHBondContact O-CA 3.25Å; N771-G775 PolarHBondContact O-N 3Å; N771-L776 PolarHBondContact N-O 2.88Å |
| 772 | K | 55 | Low | 60.5 | Low | 123 Ų | 123 | 75 Ų | 75 | 54% | 0.535 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.5 | -176.5 | -62.8 | 169.3 | -175 | 152.4 | 0 | 113.7 | N754 D755 W756 L757 I770 | N754-K772 PolarHBondContact O-NZ 2.88Å; N754-K772 VanDerWaalsContact O-NZ 3.1Å; D755-K772 PolarHBondContact O-N 3.36Å; W756-K772 VanDerWaalsContact O-CE 3.26Å; W756-K772 WeakPolarHBondContact O-CE 3.44Å; W756-K772 PolarHBondContact O-NZ 3.34Å; L757-K772 HydrophobicContact CB-CG 4.2Å; I770-K772 PolarHBondContact O-N 2.85Å |
| 773 | K | 49.8 | Very low | 60.9 | Low | 157 Ų | 157 | 73.7 Ų | 73.7 | 68% | 0.683 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -32.1 | -179.1 | -69.6 | 176.6 | 178.5 | 154.4 | 0 | 113.5 | D755 N771 | D755-K773 WeakPolarHBondContact OD1-CD 3.18Å; D755-K773 WeakPolarHBondContact OD1-CE 3.47Å; D755-K773 IonicContact OD1-NZ 2.73Å; D755-K773 PolarHBondContact OD1-NZ 2.88Å; D755-K773 IonicContact OD2-NZ 3.59Å; D755-K773 PolarHBondContact OD2-NZ 2.89Å; N771-K773 PolarHBondContact O-N 2.81Å; N771-K773 WeakPolarHBondContact OD1-CA 3.46Å; N771-K773 WeakPolarHBondContact OD1-CB 3.39Å; N771-K773 PolarHBondContact OD1-N 3Å |
| 774 | T | 55.2 | Low | 61.2 | Low | 91 Ų | 91 | 73.7 Ų | 73.7 | 56% | 0.558 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -15.1 | -177.8 | 65.3 | 0 | 0 | 0 | 0 | 114.5 | N771 L776 | N771-T774 WeakPolarHBondContact CB-OG1 3.49Å; N771-T774 PolarHBondContact OD1-N 3.46Å; N771-T774 PolarHBondContact OD1-OG1 2.98Å; T774-L776 PolarHBondContact O-N 3.27Å |
| 775 | G | 54.3 | Low | 61 | Low | 56 Ų | 56 | 78.8 Ų | 78.8 | 58% | 0.577 | 42% | 0.424 | S | S | * | . | trans | 73.5 | 3.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N771 | N771-G775 WeakPolarHBondContact O-CA 3.25Å; N771-G775 PolarHBondContact O-N 3Å | ||
| 776 | L | 54.6 | Low | 60.4 | Low | 99 Ų | 99 | 81.3 Ų | 81.3 | 52% | 0.518 | 43% | 0.425 | S | S | . | . | trans | -75.7 | 137.3 | -179.8 | -68 | 172.8 | 0 | 0 | 0 | 111.7 | I770 N771 T774 | I770-L776 CarbonylContact C-O 3.6Å; I770-L776 WeakPolarHBondContact CA-O 3.44Å; N771-L776 PolarHBondContact N-O 2.88Å; T774-L776 PolarHBondContact O-N 3.27Å | ||
| 777 | S | 65.4 | Low | 59.7 | Low | 50 Ų | 50 | 78.5 Ų | 78.5 | 35% | 0.35 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.5 | -178 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | Y769 | Y769-S777 CarbonylContact O-C 3.57Å; Y769-S777 WeakPolarHBondContact O-CA 3.42Å |
| 778 | R | 65.9 | Low | 58.7 | Low | 71 Ų | 71 | 84.8 Ų | 84.8 | 27% | 0.268 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 154.6 | 173.3 | 67.6 | -177.3 | -63.3 | -174.1 | -0.4 | 111.7 | W756 V768 Y769 E780 E786 | W756-R778 HydrophobicContact CZ3-CG 4.28Å; V768-R778 CarbonylContact C-O 3.58Å; V768-R778 WeakPolarHBondContact CA-O 3.44Å; Y769-R778 PolarHBondContact N-O 2.75Å; Y769-R778 PolarHBondContact O-N 3.48Å; R778-E780 VanDerWaalsContact C-N 3.35Å; R778-E780 WeakPolarHBondContact CD-O 3.37Å; R778-E780 VanDerWaalsContact CG-O 3.31Å; R778-E780 WeakPolarHBondContact CG-O 3.49Å; R778-E780 IonicContact CZ-OE2 2.71Å; R778-E780 PolarHBondContact NE-O 2.71Å; R778-E780 IonicContact NE-OE2 3.83Å; R778-E780 IonicContact NH2-OE2 3.85Å; R778-E780 PolarHBondContact NH2-OE2 3Å; R778-E786 IonicContact CZ-OE2 3.72Å; R778-E786 IonicContact NH1-OE2 3.46Å; R778-E786 PolarHBondContact NH1-OE2 2.96Å |
| 779 | Y | 69.1 | Low | 56.7 | Low | 80 Ų | 80 | 89.5 Ų | 89.5 | 31% | 0.314 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -93.7 | 13.5 | 178.5 | -73.2 | -87.6 | 0 | 0 | 0 | 113.8 | D761 V764 K766 V768 | D761-Y779 HydrophobicContact CB-CE1 4.23Å; D761-Y779 PolarHBondContact OD2-OH 3.1Å; D761-Y779 VanDerWaalsContact OD2-OH 3.06Å; V764-Y779 HydrophobicContact CB-CE1 4.17Å; V764-Y779 HydrophobicContact CG1-CE1 4.07Å; K766-Y779 HydrophobicContact CB-CD1 3.71Å; K766-Y779 HydrophobicContact CB-CE1 4.23Å; K766-Y779 HydrophobicContact CD-CD1 4.34Å; V768-Y779 HydrophobicContact CG2-CD1 3.7Å; V768-Y779 HydrophobicContact CG2-CE1 3.32Å; V768-Y779 HydrophobicContact CG2-CE2 4.42Å; V768-Y779 HydrophobicContact CG2-CG 4.42Å |
| 780 | E | 65.6 | Low | 54.7 | Low | 128 Ų | 128 | 93.9 Ų | 93.9 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -125 | 146.5 | -178.2 | -63.4 | 175 | 157.1 | 0 | 0 | 109 | Y769 R778 P782 | Y769-E780 VanDerWaalsContact CD2-O 3.28Å; Y769-E780 WeakPolarHBondContact CD2-O 3.3Å; R778-E780 VanDerWaalsContact C-N 3.35Å; R778-E780 WeakPolarHBondContact CD-O 3.37Å; R778-E780 VanDerWaalsContact CG-O 3.31Å; R778-E780 WeakPolarHBondContact CG-O 3.49Å; R778-E780 IonicContact CZ-OE2 2.71Å; R778-E780 PolarHBondContact NE-O 2.71Å; R778-E780 IonicContact NE-OE2 3.83Å; R778-E780 IonicContact NH2-OE2 3.85Å; R778-E780 PolarHBondContact NH2-OE2 3Å; E780-P782 WeakPolarHBondContact O-CD 3.47Å |
| 781 | E | 61.3 | Low | 53.2 | Low | 139 Ų | 139 | 96.4 Ų | 96.4 | 65% | 0.65 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 119.6 | 179 | -169.3 | 145.6 | -120.4 | 0 | 0 | 110.6 | Y769 | Y769-E781 HydrophobicContact CE1-CB 3.88Å; Y769-E781 HydrophobicContact CE1-CG 3.69Å; Y769-E781 WeakPolarHBondContact CE1-OE1 3.28Å; Y769-E781 HydrophobicContact CE2-CB 4.3Å; Y769-E781 PolarHBondContact OH-OE1 3.29Å |
| 782 | P | 61.1 | Low | 51.6 | Low | 22 Ų | 22 | 102.4 Ų | 102.4 | 14% | 0.143 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -71.2 | 131.1 | 179.5 | 28.4 | -32.4 | 0 | 0 | 0 | 110.2 | W756 Y769 E780 | W756-P782 HydrophobicContact CD2-CB 4.45Å; W756-P782 HydrophobicContact CD2-CG 3.79Å; W756-P782 HydrophobicContact CE3-CG 4.31Å; W756-P782 HydrophobicContact CG-CG 3.92Å; W756-P782 HydrophobicContact CZ2-CB 4.11Å; W756-P782 HydrophobicContact CZ2-CG 4.35Å; Y769-P782 HydrophobicContact CD1-CG 4.32Å; E780-P782 WeakPolarHBondContact O-CD 3.47Å |
| 783 | A | 60.4 | Low | 50.7 | Low | 58 Ų | 58 | 100.7 Ų | 100.7 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 147.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | E785 E786 | A783-E785 PolarHBondContact O-N 2.91Å; A783-E786 HydrophobicContact CB-CG 4.31Å; A783-E786 PolarHBondContact O-N 3Å |
| 784 | S | 51.8 | Low | 50 | Low | 110 Ų | 110 | 101.1 Ų | 101.1 | 77% | 0.769 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.2 | -31.4 | -173.3 | -46.9 | 0 | 0 | 0 | 0 | 114.6 | T787 | S784-T787 PolarHBondContact O-OG1 2.65Š|
| 785 | E | 49.3 | Very low | 49.2 | Very low | 179 Ų | 179 | 101.5 Ų | 101.5 | 84% | 0.836 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -15.9 | -174.7 | -58.2 | -176.8 | 166.4 | 0 | 0 | 113.7 | A783 T787 | A783-E785 PolarHBondContact O-N 2.91Å; E785-T787 PolarHBondContact O-N 2.7Å |
| 786 | E | 47.4 | Very low | 48.5 | Very low | 93 Ų | 93 | 102.1 Ų | 102.1 | 44% | 0.435 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -74 | -7 | -178.9 | -65 | -168.7 | 130.6 | 0 | 0 | 113.4 | R778 A783 Q788 | R778-E786 IonicContact CZ-OE2 3.72Å; R778-E786 IonicContact NH1-OE2 3.46Å; R778-E786 PolarHBondContact NH1-OE2 2.96Å; A783-E786 HydrophobicContact CB-CG 4.31Å; A783-E786 PolarHBondContact O-N 3Å; E786-Q788 PolarHBondContact O-N 2.94Å; E786-Q788 VanDerWaalsContact O-N 3.1Å |
| 787 | T | 46.1 | Very low | 47.8 | Very low | 59 Ų | 59 | 104.5 Ų | 104.5 | 36% | 0.362 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -69.8 | -5.5 | -170.8 | 48.9 | 0 | 0 | 0 | 0 | 115.8 | S784 E785 | S784-T787 PolarHBondContact O-OG1 2.65Å; E785-T787 PolarHBondContact O-N 2.7Å |
| 788 | Q | 39.6 | Very low | 46.5 | Very low | 181 Ų | 181 | 109 Ų | 109 | 85% | 0.846 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -130.2 | 10.7 | -178.6 | -61 | -164.9 | 9.8 | 0 | 0 | 115.9 | E786 | E786-Q788 PolarHBondContact O-N 2.94Å; E786-Q788 VanDerWaalsContact O-N 3.1Å |
| 789 | V | 31.8 | Very low | 45.3 | Very low | 101 Ų | 101 | 107.2 Ų | 107.2 | 61% | 0.612 | 60% | 0.604 | S | S | * | * | trans | -107.4 | 128.9 | 179.8 | -175 | 0 | 0 | 0 | 0 | 111.1 | C791 | V789-C791 PolarHBondContact O-N 2.75Š| ||
| 790 | P | 32.9 | Very low | 43.9 | Very low | 119 Ų | 119 | 104.8 Ų | 104.8 | 77% | 0.773 | 60% | 0.597 | S | S | * | * | trans | -71.5 | 91.2 | 169.6 | 29.9 | -33 | 0 | 0 | 0 | 109.5 | ||||
| 791 | C | 32.7 | Very low | 42.5 | Very low | 94 Ų | 94 | 100.6 Ų | 100.6 | 64% | 0.635 | 58% | 0.582 | S | S | * | * | trans | -72.4 | 146.9 | -169.4 | -162.4 | 0 | 0 | 0 | 0 | 113.6 | V789 | V789-C791 PolarHBondContact O-N 2.75Š| ||
| 792 | T | 35.3 | Very low | 41.6 | Very low | 140 Ų | 140 | 97 Ų | 97 | 86% | 0.859 | 57% | 0.57 | S | S | * | * | trans | -123 | 61.2 | -171.6 | 58.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 793 | S | 34.4 | Very low | 40.5 | Very low | 87 Ų | 87 | 101.1 Ų | 101.1 | 61% | 0.608 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -159 | 141.7 | 174 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 794 | D | 36.6 | Very low | 39.7 | Very low | 167 Ų | 167 | 100.2 Ų | 100.2 | 89% | 0.893 | 58% | 0.58 | S | S | * | * | trans | 31 | 109.3 | 159.1 | -60.7 | -5.7 | 0 | 0 | 0 | 119.8 | ||||
| 795 | V | 37.8 | Very low | 38.8 | Very low | 98 Ų | 98 | 105.1 Ų | 105.1 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | trans | -105.6 | 135.6 | 169.6 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 796 | S | 39.1 | Very low | 38.4 | Very low | 70 Ų | 70 | 104.8 Ų | 104.8 | 49% | 0.49 | 59% | 0.591 | S | S | . | * | trans | -81.6 | 129 | 177.7 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | M798 | S796-M798 PolarHBondContact O-N 3.4Š| ||
| 797 | N | 39.7 | Very low | 37.6 | Very low | 149 Ų | 149 | 103.4 Ų | 103.4 | 80% | 0.797 | 60% | 0.601 | S | S | * | * | trans | -82.3 | 32.1 | -172.5 | -68.2 | -40.1 | 0 | 0 | 0 | 114.8 | ||||
| 798 | M | 38.7 | Very low | 37 | Very low | 144 Ų | 144 | 104 Ų | 104 | 71% | 0.709 | 60% | 0.604 | S | S | * | * | trans | -103.5 | 144.2 | 179.5 | -74.4 | -164 | 68.2 | 0 | 0 | 112.5 | S796 P814 | S796-M798 PolarHBondContact O-N 3.4Å; M798-P814 VanDerWaalsContact O-CD 3.27Å; M798-P814 WeakPolarHBondContact O-CD 3.19Å | ||
| 799 | A | 39.9 | Very low | 36.7 | Very low | 34 Ų | 34 | 101.2 Ų | 101.2 | 28% | 0.281 | 59% | 0.592 | S | S | . | * | trans | -78.6 | 145.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | M811 C812 Y813 | A799-M811 HydrophobicContact CB-CE 4.18Å; A799-C812 CarbonylContact C-O 3.52Å; A799-C812 VanDerWaalsContact CA-O 3.22Å; A799-C812 WeakPolarHBondContact CA-O 3.46Å; A799-C812 WeakPolarHBondContact CB-O 3.31Å; A799-Y813 HydrophobicContact CB-CD1 3.51Å; A799-Y813 HydrophobicContact CB-CE1 3.61Å; A799-Y813 HydrophobicContact CB-CG 4.09Å | ||
| 800 | V | 39.7 | Very low | 37.1 | Very low | 28 Ų | 28 | 102.6 Ų | 102.6 | 17% | 0.17 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.2 | -176.5 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | V802 C812 | V800-V802 HydrophobicContact CG1-CG2 4.36Å; V800-C812 PolarHBondContact N-O 3.31Å; V800-C812 PolarHBondContact O-N 2.93Å |
| 801 | S | 37.4 | Very low | 37.3 | Very low | 41 Ų | 41 | 101.8 Ų | 101.8 | 29% | 0.287 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 130.2 | 167.6 | -86.4 | 0 | 0 | 0 | 0 | 110 | E809 Y810 | S801-E809 WeakPolarHBondContact CB-OE1 3.43Å; S801-E809 PolarHBondContact OG-OE1 3.47Å; S801-Y810 CarbonylContact C-O 3.39Å; S801-Y810 WeakPolarHBondContact CA-O 3.25Å |
| 802 | V | 41.7 | Very low | 37.6 | Very low | 64 Ų | 64 | 100.3 Ų | 100.3 | 39% | 0.388 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.7 | 118.4 | 175.8 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | V800 Y810 C812 | V800-V802 HydrophobicContact CG1-CG2 4.36Å; V802-Y810 PolarHBondContact N-O 3.39Å; V802-Y810 PolarHBondContact O-N 3.45Å; V802-C812 HydrophobicContact CG2-CB 4.41Å |
| 803 | I | 38.7 | Very low | 37.8 | Very low | 107 Ų | 107 | 101.3 Ų | 101.3 | 55% | 0.549 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88 | 127 | 174.2 | -55.3 | 174.6 | 0 | 0 | 0 | 107.9 | V808 E809 | I803-V808 WeakPolarHBondContact CA-O 3.49Å; I803-E809 HydrophobicContact CG1-CB 4.18Å; I803-E809 HydrophobicContact CG1-CG 4.12Å |
| 804 | S | 43.3 | Very low | 37.8 | Very low | 40 Ų | 40 | 99.8 Ų | 99.8 | 28% | 0.28 | 54% | 0.541 | S | S | . | . | trans | -74.4 | 162.3 | 176 | 72.7 | 0 | 0 | 0 | 0 | 111.8 | M806 G807 V808 | S804-M806 PolarHBondContact O-N 3.16Å; S804-M806 PolarHBondContact OG-N 3.1Å; S804-G807 PolarHBondContact O-N 2.99Å; S804-V808 PolarHBondContact N-O 3.29Å; S804-V808 PolarHBondContact OG-N 3.21Å; S804-V808 PolarHBondContact OG-O 3.28Å | ||
| 805 | E | 32.7 | Very low | 37.7 | Very low | 212 Ų | 212 | 101 Ų | 101 | 99% | 0.991 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -12.9 | 175.1 | -61.5 | -178.1 | 147.7 | 0 | 0 | 113.5 | ||
| 806 | M | 40.5 | Very low | 37.4 | Very low | 173 Ų | 173 | 105.6 Ų | 105.6 | 85% | 0.852 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 8.7 | 171.6 | -61.4 | -171.1 | 72.6 | 0 | 0 | 113.7 | S804 V808 | S804-M806 PolarHBondContact O-N 3.16Å; S804-M806 PolarHBondContact OG-N 3.1Å; M806-V808 PolarHBondContact O-N 2.95Å |
| 807 | G | 30.9 | Very low | 37.3 | Very low | 63 Ų | 63 | 110 Ų | 110 | 65% | 0.649 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 76.5 | 15.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S804 | S804-G807 PolarHBondContact O-N 2.99Š|
| 808 | V | 33.3 | Very low | 36.9 | Very low | 71 Ų | 71 | 110.5 Ų | 110.5 | 43% | 0.43 | 57% | 0.574 | S | S | . | * | trans | -99.4 | 126.9 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | I803 S804 M806 Y810 | I803-V808 WeakPolarHBondContact CA-O 3.49Å; S804-V808 PolarHBondContact N-O 3.29Å; S804-V808 PolarHBondContact OG-N 3.21Å; S804-V808 PolarHBondContact OG-O 3.28Å; M806-V808 PolarHBondContact O-N 2.95Å; V808-Y810 HydrophobicContact CB-CE2 3.79Å; V808-Y810 HydrophobicContact CG1-CD2 4.4Å; V808-Y810 HydrophobicContact CG1-CE1 4.41Å; V808-Y810 HydrophobicContact CG1-CE2 3.68Å; V808-Y810 VanDerWaalsContact O-CD2 3.26Å; V808-Y810 WeakPolarHBondContact O-CD2 3.44Å; V808-Y810 VanDerWaalsContact O-CE2 3.32Å; V808-Y810 WeakPolarHBondContact O-CE2 3.33Å | ||
| 809 | E | 33.8 | Very low | 36.8 | Very low | 124 Ų | 124 | 111.1 Ų | 111.1 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.6 | 134.6 | 177.5 | -170.5 | -178.2 | 178.2 | 0 | 0 | 112.1 | S801 I803 | S801-E809 WeakPolarHBondContact CB-OE1 3.43Å; S801-E809 PolarHBondContact OG-OE1 3.47Å; I803-E809 HydrophobicContact CG1-CB 4.18Å; I803-E809 HydrophobicContact CG1-CG 4.12Å |
| 810 | Y | 40.7 | Very low | 36.3 | Very low | 129 Ų | 129 | 115.7 Ų | 115.7 | 51% | 0.506 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.4 | 175.7 | -61.1 | -93.3 | 0 | 0 | 0 | 110.2 | S801 V802 V808 | S801-Y810 CarbonylContact C-O 3.39Å; S801-Y810 WeakPolarHBondContact CA-O 3.25Å; V802-Y810 PolarHBondContact N-O 3.39Å; V802-Y810 PolarHBondContact O-N 3.45Å; V808-Y810 HydrophobicContact CB-CE2 3.79Å; V808-Y810 HydrophobicContact CG1-CD2 4.4Å; V808-Y810 HydrophobicContact CG1-CE1 4.41Å; V808-Y810 HydrophobicContact CG1-CE2 3.68Å; V808-Y810 VanDerWaalsContact O-CD2 3.26Å; V808-Y810 WeakPolarHBondContact O-CD2 3.44Å; V808-Y810 VanDerWaalsContact O-CE2 3.32Å; V808-Y810 WeakPolarHBondContact O-CE2 3.33Å |
| 811 | M | 36.1 | Very low | 35.8 | Very low | 102 Ų | 102 | 119.7 Ų | 119.7 | 50% | 0.502 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 109.1 | 170.5 | -75.9 | -124.8 | 74 | 0 | 0 | 110.6 | A799 | A799-M811 HydrophobicContact CB-CE 4.18Å |
| 812 | C | 39.6 | Very low | 35.5 | Very low | 64 Ų | 64 | 123.1 Ų | 123.1 | 43% | 0.432 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 125.5 | -179.3 | -67.8 | 0 | 0 | 0 | 0 | 110.8 | A799 V800 V802 | A799-C812 CarbonylContact C-O 3.52Å; A799-C812 VanDerWaalsContact CA-O 3.22Å; A799-C812 WeakPolarHBondContact CA-O 3.46Å; A799-C812 WeakPolarHBondContact CB-O 3.31Å; V800-C812 PolarHBondContact N-O 3.31Å; V800-C812 PolarHBondContact O-N 2.93Å; V802-C812 HydrophobicContact CG2-CB 4.41Å |
| 813 | Y | 38.8 | Very low | 35.1 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 133.6 | 175 | -64.2 | -91.8 | 0 | 0 | 0 | 110 | A799 | A799-Y813 HydrophobicContact CB-CD1 3.51Å; A799-Y813 HydrophobicContact CB-CE1 3.61Å; A799-Y813 HydrophobicContact CB-CG 4.09Å |
| 814 | P | 34.7 | Very low | 34.8 | Very low | 54 Ų | 54 | 129.6 Ų | 129.6 | 35% | 0.351 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 146.9 | 174.4 | 26.2 | -33.1 | 0 | 0 | 0 | 111.5 | M798 | M798-P814 VanDerWaalsContact O-CD 3.27Å; M798-P814 WeakPolarHBondContact O-CD 3.19Å |
| 815 | F | 35.5 | Very low | 34.3 | Very low | 194 Ų | 194 | 133.2 Ų | 133.2 | 85% | 0.851 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 137.1 | -174.4 | -74.4 | -95.6 | 0 | 0 | 0 | 112.7 | L817 | F815-L817 PolarHBondContact O-N 2.77Š|
| 816 | Q | 31.6 | Very low | 34.4 | Very low | 194 Ų | 194 | 132.8 Ų | 132.8 | 91% | 0.907 | 69% | 0.687 | S | S | * | * | trans | -72.1 | 107.2 | 163.5 | -66.9 | -174 | -72.8 | 0 | 0 | 109.8 | D818 | Q816-D818 PolarHBondContact O-N 3.3Å; Q816-D818 VanDerWaalsContact O-N 3.08Å | ||
| 817 | L | 36.1 | Very low | 34 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 85% | 0.853 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 95.5 | 167.4 | -86.2 | 90.7 | 0 | 0 | 0 | 110.5 | F815 | F815-L817 PolarHBondContact O-N 2.77Š|
| 818 | D | 31.4 | Very low | 34.2 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 85% | 0.85 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.3 | 3.8 | 155 | -124.6 | -10.7 | 0 | 0 | 0 | 113.6 | Q816 | Q816-D818 PolarHBondContact O-N 3.3Å; Q816-D818 VanDerWaalsContact O-N 3.08Å |
| 819 | L | 35.7 | Very low | 34.3 | Very low | 157 Ų | 157 | 136 Ų | 136 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -140.5 | 115.4 | 178.7 | -77.3 | 172.9 | 0 | 0 | 0 | 112.1 | ||
| 820 | V | 31.1 | Very low | 34.3 | Very low | 129 Ų | 129 | 134 Ų | 134 | 78% | 0.782 | 72% | 0.723 | S | S | * | * | trans | 68.8 | 119.2 | 169.9 | -171.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 821 | L | 29.4 | Very low | 33.9 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 59% | 0.592 | 74% | 0.74 | S | S | * | * | -151.3 | 147.3 | 84 | -86.3 | 163.6 | 0 | 0 | 0 | 112.5 | F823 L824 | L821-F823 WeakPolarHBondContact CD2-O 3.43Å; L821-L824 HydrophobicContact CD1-CD2 4.1Å; L821-L824 HydrophobicContact CD1-CG 4.41Å | |||
| 822 | P | 30.2 | Very low | 33.7 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | S | Bend | -137.8 | 47.6 | 123.9 | 40.4 | -30.5 | 0 | 0 | 0 | 113.5 | |||
| 823 | F | 33.1 | Very low | 33.2 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 69% | 0.689 | 78% | 0.776 | S | S | * | * | trans | -137.7 | 84.8 | 173.7 | -69.5 | -70.2 | 0 | 0 | 0 | 112.4 | L821 | L821-F823 WeakPolarHBondContact CD2-O 3.43Š| ||
| 824 | L | 32.3 | Very low | 32.6 | Very low | 150 Ų | 150 | 143 Ų | 143 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 118.3 | 167.4 | -75.6 | 170.9 | 0 | 0 | 0 | 110.3 | L821 | L821-L824 HydrophobicContact CD1-CD2 4.1Å; L821-L824 HydrophobicContact CD1-CG 4.41Å |
| 825 | P | 33.6 | Very low | 32.4 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 150.4 | 162.3 | -16.7 | 31.7 | 0 | 0 | 0 | 110.8 | ||
| 826 | K | 33.5 | Very low | 32 | Very low | 204 Ų | 204 | 139.9 Ų | 139.9 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 169.5 | 172.1 | -70.7 | -174.7 | 175.1 | -175.7 | 0 | 111.7 | ||
| 827 | S | 33.8 | Very low | 31.8 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 147.7 | -166.4 | 42.6 | 0 | 0 | 0 | 0 | 115.9 | Q829 | S827-Q829 VanDerWaalsContact C-N 3.35Å; S827-Q829 PolarHBondContact O-N 2.9Å |
| 828 | G | 34.9 | Very low | 31.6 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | -83.6 | 25.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | G830 | G828-G830 PolarHBondContact O-N 2.89Š| ||
| 829 | Q | 35.1 | Very low | 31.4 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 106.9 | 171.6 | -80.2 | 177.5 | -35.9 | 0 | 0 | 109.6 | S827 | S827-Q829 VanDerWaalsContact C-N 3.35Å; S827-Q829 PolarHBondContact O-N 2.9Å |
| 830 | G | 32.9 | Very low | 31.2 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.3 | 10.1 | 178 | 0 | 0 | 0 | 0 | 0 | 116.6 | G828 | G828-G830 PolarHBondContact O-N 2.89Š|
| 831 | R | 32.9 | Very low | 31.3 | Very low | 229 Ų | 229 | 138.1 Ų | 138.1 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -118.9 | 36.7 | 178.5 | -150.2 | -172.5 | -66.7 | -162.7 | 0.5 | 114.7 | ||||
| 832 | V | 32.4 | Very low | 31.5 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -134.6 | 102 | 168.1 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 833 | I | 28.7 | Very low | 32.1 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | 169.1 | 153.9 | 155.7 | -91.9 | 156 | 0 | 0 | 0 | 106.7 | ||||
| 834 | S | 26.8 | Very low | 32.2 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | 72.4 | 98.4 | -176.7 | -168.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 835 | S | 29.4 | Very low | 32.6 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -128.4 | 135.3 | 151.8 | 52.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 836 | G | 26.4 | Very low | 32.7 | Very low | 57 Ų | 57 | 141 Ų | 141 | 59% | 0.588 | 81% | 0.813 | S | S | * | * | trans | 90 | 149.2 | -164.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 837 | T | 28.5 | Very low | 33.1 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | cis | -147.5 | 176.8 | 8.4 | 23.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 838 | D | 30.8 | Very low | 33.5 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | trans | -63.4 | 171 | -176.4 | -60.1 | -81.5 | 0 | 0 | 0 | 116.6 | ||||
| 839 | C | 27.8 | Very low | 34.3 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | 98.1 | 109.2 | 158 | -64.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 840 | R | 31.1 | Very low | 34.6 | Very low | 220 Ų | 220 | 134 Ų | 134 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | 71.4 | 140.4 | 141 | -66.3 | -170.3 | -174.8 | -176.8 | 0.4 | 120.9 | ||||
| 841 | D | 34.5 | Very low | 35.1 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 31.2 | 102.4 | 136.5 | -39.2 | -33.1 | 0 | 0 | 0 | 117.4 | ||||
| 842 | D | 32.9 | Very low | 35.8 | Very low | 169 Ų | 169 | 124.3 Ų | 124.3 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | -165.1 | 176.5 | 94.4 | -130.6 | -40.6 | 0 | 0 | 0 | 112.2 | |||||
| 843 | A | 43.2 | Very low | 36.7 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 74% | 0.744 | 73% | 0.73 | S | S | * | * | trans | -95.4 | 120.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 844 | D | 34.6 | Very low | 37.6 | Very low | 161 Ų | 161 | 122.2 Ų | 122.2 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | trans | -152.2 | 150 | 142.2 | -148.4 | -14.7 | 0 | 0 | 0 | 113.1 | S846 | D844-S846 PolarHBondContact O-N 3.35Š| ||
| 845 | Q | 39.9 | Very low | 38.7 | Very low | 185 Ų | 185 | 121 Ų | 121 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | trans | -91.8 | 88.1 | -170.3 | -66.3 | -170.3 | 12.9 | 0 | 0 | 112.9 | A847 | Q845-A847 PolarHBondContact O-N 3.33Å; Q845-A847 VanDerWaalsContact O-N 3.17Å | ||
| 846 | S | 37 | Very low | 39.4 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -62.8 | 118.2 | 172.2 | 70.7 | 0 | 0 | 0 | 0 | 112 | D844 N848 | D844-S846 PolarHBondContact O-N 3.35Å; S846-N848 PolarHBondContact O-N 2.63Å | ||
| 847 | A | 42 | Very low | 40.4 | Very low | 86 Ų | 86 | 127.4 Ų | 127.4 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 25.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q845 | Q845-A847 PolarHBondContact O-N 3.33Å; Q845-A847 VanDerWaalsContact O-N 3.17Å |
| 848 | N | 42.3 | Very low | 41.3 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 12.5 | -172.3 | -79.8 | -26.5 | 0 | 0 | 0 | 114.7 | S846 | S846-N848 PolarHBondContact O-N 2.63Š|
| 849 | S | 51.7 | Low | 42.3 | Very low | 71 Ų | 71 | 125.1 Ų | 125.1 | 50% | 0.497 | 67% | 0.672 | S | S | . | * | trans | -67.4 | 138.2 | 170.5 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | S851 A852 | S849-S851 PolarHBondContact O-N 3.28Å; S849-S851 PolarHBondContact OG-OG 3.5Å; S849-A852 WeakPolarHBondContact O-CB 3.32Å; S849-A852 PolarHBondContact O-N 3.46Å | ||
| 850 | L | 41.4 | Very low | 43.4 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 63% | 0.634 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -53.7 | -28.9 | 177.9 | -89.3 | 161.5 | 0 | 0 | 0 | 113.1 | A852 L853 Y854 | L850-A852 VanDerWaalsContact C-N 3.3Å; L850-A852 PolarHBondContact O-N 3.4Å; L850-L853 PolarHBondContact O-N 3.16Å; L850-Y854 HydrophobicContact CD2-CE2 4.32Å; L850-Y854 VanDerWaalsContact O-CD2 3.31Å; L850-Y854 WeakPolarHBondContact O-CD2 3.4Å; L850-Y854 PolarHBondContact O-N 3.34Å |
| 851 | S | 42.8 | Very low | 43.8 | Very low | 78 Ų | 78 | 120 Ų | 120 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -60.4 | -35.7 | 175.2 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | S849 Y854 S855 | S849-S851 PolarHBondContact O-N 3.28Å; S849-S851 PolarHBondContact OG-OG 3.5Å; S851-Y854 PolarHBondContact O-N 3.23Å; S851-S855 WeakPolarHBondContact O-CB 3.36Å; S851-S855 PolarHBondContact O-N 2.84Å; S851-S855 PolarHBondContact O-OG 2.77Å |
| 852 | A | 47.8 | Very low | 44 | Very low | 31 Ų | 31 | 120.4 Ų | 120.4 | 26% | 0.256 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -72.7 | -29 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S849 L850 S855 K856 | S849-A852 WeakPolarHBondContact O-CB 3.32Å; S849-A852 PolarHBondContact O-N 3.46Å; L850-A852 VanDerWaalsContact C-N 3.3Å; L850-A852 PolarHBondContact O-N 3.4Å; A852-S855 PolarHBondContact O-OG 2.64Å; A852-S855 VanDerWaalsContact O-OG 3.13Å; A852-K856 WeakPolarHBondContact O-CG 3.43Å; A852-K856 PolarHBondContact O-N 2.76Å |
| 853 | L | 50.8 | Low | 44.1 | Very low | 124 Ų | 124 | 119 Ų | 119 | 65% | 0.649 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.4 | -47.1 | 171.3 | -98.2 | 160.3 | 0 | 0 | 0 | 111.1 | L850 S855 K856 W857 | L850-L853 PolarHBondContact O-N 3.16Å; L853-S855 VanDerWaalsContact C-N 3.33Å; L853-S855 PolarHBondContact O-N 2.71Å; L853-K856 PolarHBondContact O-N 3.3Å; L853-W857 WeakPolarHBondContact O-CB 3.49Å; L853-W857 PolarHBondContact O-N 3.49Å |
| 854 | Y | 47.4 | Very low | 43.7 | Very low | 135 Ų | 135 | 121.8 Ų | 121.8 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -67.1 | -29 | 177.6 | -80.6 | -63.8 | 0 | 0 | 0 | 114 | L850 S851 R864 | L850-Y854 HydrophobicContact CD2-CE2 4.32Å; L850-Y854 VanDerWaalsContact O-CD2 3.31Å; L850-Y854 WeakPolarHBondContact O-CD2 3.4Å; L850-Y854 PolarHBondContact O-N 3.34Å; S851-Y854 PolarHBondContact O-N 3.23Å; Y854-R864 PolarHBondContact O-NH2 3.44Å |
| 855 | S | 49.7 | Very low | 43.6 | Very low | 87 Ų | 87 | 118.7 Ų | 118.7 | 61% | 0.608 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.4 | -35.1 | 176.4 | 66.6 | 0 | 0 | 0 | 0 | 112.6 | S851 A852 L853 | S851-S855 WeakPolarHBondContact O-CB 3.36Å; S851-S855 PolarHBondContact O-N 2.84Å; S851-S855 PolarHBondContact O-OG 2.77Å; A852-S855 PolarHBondContact O-OG 2.64Å; A852-S855 VanDerWaalsContact O-OG 3.13Å; L853-S855 VanDerWaalsContact C-N 3.33Å; L853-S855 PolarHBondContact O-N 2.71Å |
| 856 | K | 44.9 | Very low | 43.2 | Very low | 179 Ų | 179 | 113.9 Ų | 113.9 | 78% | 0.778 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -81.8 | -23.4 | 177.4 | -68.6 | 177.1 | -178.9 | 176.8 | 0 | 113.9 | A852 L853 K858 | A852-K856 WeakPolarHBondContact O-CG 3.43Å; A852-K856 PolarHBondContact O-N 2.76Å; L853-K856 PolarHBondContact O-N 3.3Å; K856-K858 PolarHBondContact O-N 3.4Å |
| 857 | W | 47.5 | Very low | 43.1 | Very low | 137 Ų | 137 | 115.6 Ų | 115.6 | 52% | 0.519 | 63% | 0.627 | S | S | . | * | trans | -74 | 125.1 | -179.1 | -174.6 | 55.8 | 0 | 0 | 0 | 113.1 | L853 N859 | L853-W857 WeakPolarHBondContact O-CB 3.49Å; L853-W857 PolarHBondContact O-N 3.49Å; W857-N859 HydrophobicContact CH2-CB 4.33Å; W857-N859 HydrophobicContact CZ2-CB 4.46Å; W857-N859 HydrophobicContact CZ3-CB 4.5Å | ||
| 858 | K | 47.6 | Very low | 43 | Very low | 192 Ų | 192 | 116.5 Ų | 116.5 | 84% | 0.835 | 62% | 0.624 | S | S | * | * | trans | -111 | 103.3 | -178.8 | -151.5 | 175.6 | -171.9 | 180 | 0 | 109.2 | K856 P860 | K856-K858 PolarHBondContact O-N 3.4Å; K858-P860 WeakPolarHBondContact O-CD 3.37Å | ||
| 859 | N | 50.7 | Low | 42.4 | Very low | 55 Ų | 55 | 112.6 Ų | 112.6 | 29% | 0.294 | 62% | 0.619 | S | S | . | * | trans | -69.8 | 122.8 | -176.6 | -173 | -26.1 | 0 | 0 | 0 | 111 | W857 V861 F862 | W857-N859 HydrophobicContact CH2-CB 4.33Å; W857-N859 HydrophobicContact CZ2-CB 4.46Å; W857-N859 HydrophobicContact CZ3-CB 4.5Å; N859-V861 PolarHBondContact OD1-N 2.92Å; N859-F862 PolarHBondContact OD1-N 3.44Å | ||
| 860 | P | 50.7 | Low | 41.8 | Very low | 119 Ų | 119 | 113 Ų | 113 | 77% | 0.773 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -96.3 | -7 | -176.2 | 35.3 | -31.7 | 0 | 0 | 0 | 114.9 | K858 | K858-P860 WeakPolarHBondContact O-CD 3.37Š|
| 861 | V | 40.8 | Very low | 41.3 | Very low | 109 Ų | 109 | 111.6 Ų | 111.6 | 66% | 0.661 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -116.1 | -34.5 | -173.8 | 177.7 | 0 | 0 | 0 | 0 | 112.5 | N859 | N859-V861 PolarHBondContact OD1-N 2.92Š|
| 862 | F | 39.3 | Very low | 41.1 | Very low | 143 Ų | 143 | 113 Ų | 113 | 63% | 0.627 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -117.1 | 127.5 | -178.8 | -52 | -83.6 | 0 | 0 | 0 | 110.5 | N859 R864 | N859-F862 PolarHBondContact OD1-N 3.44Å; F862-R864 PolarHBondContact O-N 3.42Å |
| 863 | V | 34.8 | Very low | 40.4 | Very low | 140 Ų | 140 | 114.9 Ų | 114.9 | 85% | 0.848 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 126.2 | 162.5 | 179.9 | 0 | 0 | 0 | 0 | 107.1 | P865 | V863-P865 VanDerWaalsContact O-CD 3.25Å; V863-P865 WeakPolarHBondContact O-CD 3.32Å |
| 864 | R | 35 | Very low | 40.1 | Very low | 148 Ų | 148 | 115 Ų | 115 | 56% | 0.558 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 117.4 | 177.7 | -127.9 | 178 | -177 | 142.4 | 6 | 108 | Y854 F862 | Y854-R864 PolarHBondContact O-NH2 3.44Å; F862-R864 PolarHBondContact O-N 3.42Å |
| 865 | P | 31.1 | Very low | 39.9 | Very low | 97 Ų | 97 | 112 Ų | 112 | 63% | 0.63 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 143.4 | 170.4 | -22.9 | 33.7 | 0 | 0 | 0 | 108.2 | V863 T867 | V863-P865 VanDerWaalsContact O-CD 3.25Å; V863-P865 WeakPolarHBondContact O-CD 3.32Å; P865-T867 PolarHBondContact O-N 2.95Å; P865-T867 VanDerWaalsContact O-N 3.16Å |
| 866 | P | 32.6 | Very low | 39.5 | Very low | 84 Ų | 84 | 114.8 Ų | 114.8 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 128 | 167.3 | 25.9 | -32.9 | 0 | 0 | 0 | 107.2 | V868 | P866-V868 VanDerWaalsContact C-N 3.26Å; P866-V868 HydrophobicContact CB-CG2 4.31Å; P866-V868 PolarHBondContact O-N 2.87Å |
| 867 | T | 33.9 | Very low | 39.4 | Very low | 139 Ų | 139 | 107.8 Ų | 107.8 | 85% | 0.853 | 62% | 0.623 | S | S | * | * | trans | -69.6 | 84.9 | -176 | 30 | 0 | 0 | 0 | 0 | 110.4 | P865 | P865-T867 PolarHBondContact O-N 2.95Å; P865-T867 VanDerWaalsContact O-N 3.16Å | ||
| 868 | V | 39.9 | Very low | 39 | Very low | 106 Ų | 106 | 106.1 Ų | 106.1 | 64% | 0.642 | 62% | 0.624 | S | S | * | * | trans | -111 | 40.7 | 173.1 | -163.9 | 0 | 0 | 0 | 0 | 109.1 | P866 | P866-V868 VanDerWaalsContact C-N 3.26Å; P866-V868 HydrophobicContact CB-CG2 4.31Å; P866-V868 PolarHBondContact O-N 2.87Å | ||
| 869 | G | 29.8 | Very low | 38.6 | Very low | 69 Ų | 69 | 99.4 Ų | 99.4 | 71% | 0.711 | 61% | 0.61 | S | S | * | * | trans | -89.7 | 112.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | D871 | G869-D871 PolarHBondContact O-N 3.25Š| ||
| 870 | V | 38.5 | Very low | 38.2 | Very low | 79 Ų | 79 | 97.6 Ų | 97.6 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | trans | -81.7 | 109.5 | 172.3 | -178.1 | 0 | 0 | 0 | 0 | 107.3 | I872 L880 L1107 | V870-I872 HydrophobicContact CB-CG1 4.47Å; V870-I872 HydrophobicContact CG1-CG1 3.76Å; V870-L880 HydrophobicContact CG1-CD2 3.51Å; V870-L880 HydrophobicContact CG2-CD2 4.26Å; V870-L1107 HydrophobicContact CG1-CD2 4.46Å | ||
| 871 | D | 31.2 | Very low | 37.9 | Very low | 93 Ų | 93 | 93.5 Ų | 93.5 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | trans | -76.7 | 121.6 | 164.4 | -159.4 | -29.1 | 0 | 0 | 0 | 108.2 | G869 S873 | G869-D871 PolarHBondContact O-N 3.25Å; D871-S873 VanDerWaalsContact OD1-CB 3.22Å; D871-S873 WeakPolarHBondContact OD1-CB 3.42Å; D871-S873 PolarHBondContact OD1-N 3.38Å; D871-S873 PolarHBondContact OD1-OG 2.97Å | ||
| 872 | I | 38.2 | Very low | 38.1 | Very low | 107 Ų | 107 | 90.8 Ų | 90.8 | 55% | 0.549 | 56% | 0.56 | S | S | . | * | trans | -110.7 | 10.3 | 179.1 | -35.7 | 166.4 | 0 | 0 | 0 | 109.6 | V870 L1107 | V870-I872 HydrophobicContact CB-CG1 4.47Å; V870-I872 HydrophobicContact CG1-CG1 3.76Å; I872-L1107 HydrophobicContact CD1-CD1 4.17Å | ||
| 873 | S | 34.8 | Very low | 38 | Very low | 71 Ų | 71 | 89.2 Ų | 89.2 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -66.7 | 152.1 | 168.1 | 67.6 | 0 | 0 | 0 | 0 | 110.6 | D871 G875 | D871-S873 VanDerWaalsContact OD1-CB 3.22Å; D871-S873 WeakPolarHBondContact OD1-CB 3.42Å; D871-S873 PolarHBondContact OD1-N 3.38Å; D871-S873 PolarHBondContact OD1-OG 2.97Å; S873-G875 PolarHBondContact O-N 3.46Å |
| 874 | S | 43.2 | Very low | 38.6 | Very low | 125 Ų | 125 | 84 Ų | 84 | 87% | 0.874 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 117.1 | -161.7 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 875 | G | 44.1 | Very low | 38.8 | Very low | 73 Ų | 73 | 83.8 Ų | 83.8 | 75% | 0.753 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.5 | -8.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | S873 | S873-G875 PolarHBondContact O-N 3.46Š|
| 876 | Q | 41.6 | Very low | 39.2 | Very low | 146 Ų | 146 | 80.4 Ų | 80.4 | 68% | 0.682 | 50% | 0.502 | S | S | * | . | trans | -103.3 | 9.3 | -178.4 | -62.3 | -163.2 | 5.7 | 0 | 0 | 115.2 | D878 G879 | Q876-D878 VanDerWaalsContact C-N 3.27Å; Q876-D878 PolarHBondContact O-N 3.27Å; Q876-G879 PolarHBondContact O-N 3.32Å | ||
| 877 | A | 42.3 | Very low | 39.7 | Very low | 32 Ų | 32 | 82.5 Ų | 82.5 | 26% | 0.264 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -61.7 | -27.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G879 L880 | A877-G879 PolarHBondContact O-N 2.93Å; A877-G879 VanDerWaalsContact O-N 3.16Å; A877-L880 HydrophobicContact CB-CD1 4.15Å; A877-L880 WeakPolarHBondContact O-CB 3.29Å; A877-L880 VanDerWaalsContact O-CD1 3.22Å; A877-L880 WeakPolarHBondContact O-CD1 3.41Å; A877-L880 WeakPolarHBondContact O-CG 3.44Å; A877-L880 PolarHBondContact O-N 3.06Å |
| 878 | D | 38.2 | Very low | 39.9 | Very low | 101 Ų | 101 | 82.4 Ų | 82.4 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -69.4 | -16 | -177.3 | -57.7 | -35.9 | 0 | 0 | 0 | 113.2 | Q876 L880 | Q876-D878 VanDerWaalsContact C-N 3.27Å; Q876-D878 PolarHBondContact O-N 3.27Å; D878-L880 VanDerWaalsContact C-N 3.29Å; D878-L880 PolarHBondContact O-N 2.84Å |
| 879 | G | 39.1 | Very low | 40.1 | Very low | 52 Ų | 52 | 82.2 Ų | 82.2 | 54% | 0.536 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -79 | -3.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q876 A877 A881 | Q876-G879 PolarHBondContact O-N 3.32Å; A877-G879 PolarHBondContact O-N 2.93Å; A877-G879 VanDerWaalsContact O-N 3.16Å; G879-A881 WeakPolarHBondContact O-CB 3.29Å; G879-A881 PolarHBondContact O-N 3.17Å |
| 880 | L | 43.3 | Very low | 41 | Very low | 17 Ų | 17 | 83.4 Ų | 83.4 | 9% | 0.089 | 49% | 0.486 | C | S | . | . | trans | -52.3 | 120.8 | -176.3 | -87.7 | 165.3 | 0 | 0 | 0 | 112 | V870 A877 D878 S894 Q1106 L1107 | V870-L880 HydrophobicContact CG1-CD2 3.51Å; V870-L880 HydrophobicContact CG2-CD2 4.26Å; A877-L880 HydrophobicContact CB-CD1 4.15Å; A877-L880 WeakPolarHBondContact O-CB 3.29Å; A877-L880 VanDerWaalsContact O-CD1 3.22Å; A877-L880 WeakPolarHBondContact O-CD1 3.41Å; A877-L880 WeakPolarHBondContact O-CG 3.44Å; A877-L880 PolarHBondContact O-N 3.06Å; D878-L880 VanDerWaalsContact C-N 3.29Å; D878-L880 PolarHBondContact O-N 2.84Å; L880-S894 WeakPolarHBondContact O-CA 3.39Å; L880-Q1106 WeakPolarHBondContact CD1-O 3.45Å; L880-L1107 HydrophobicContact CD1-CD2 3.85Å; L880-L1107 HydrophobicContact CD2-CD2 4.12Å | ||
| 881 | A | 43.2 | Very low | 41.9 | Very low | 33 Ų | 33 | 81.3 Ų | 81.3 | 27% | 0.273 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 76 | -163.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G879 K883 R892 F893 | G879-A881 WeakPolarHBondContact O-CB 3.29Å; G879-A881 PolarHBondContact O-N 3.17Å; A881-K883 PolarHBondContact O-N 3.32Å; A881-R892 HydrophobicContact CB-CG 3.91Å; A881-R892 VanDerWaalsContact CB-CZ 3.5Å; A881-R892 VanDerWaalsContact CB-NH2 3.3Å; A881-F893 CarbonylContact C-O 3.32Å; A881-F893 WeakPolarHBondContact CA-O 3.43Å |
| 882 | V | 45.1 | Very low | 43.2 | Very low | 52 Ų | 52 | 84.4 Ų | 84.4 | 32% | 0.315 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 120.8 | -176.2 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | I884 F893 F1109 | V882-I884 VanDerWaalsContact C-N 3.34Å; V882-I884 HydrophobicContact CB-CG1 4.19Å; V882-I884 HydrophobicContact CG1-CD1 4.45Å; V882-I884 HydrophobicContact CG1-CG1 3.67Å; V882-I884 PolarHBondContact O-N 2.88Å; V882-F893 PolarHBondContact N-O 2.91Å; V882-F893 VanDerWaalsContact N-O 3.07Å; V882-F893 PolarHBondContact O-N 3.3Å; V882-F1109 HydrophobicContact CB-CD2 4.32Å; V882-F1109 HydrophobicContact CB-CG 4.33Å; V882-F1109 HydrophobicContact CG2-CB 3.97Å; V882-F1109 HydrophobicContact CG2-CD2 3.41Å; V882-F1109 VanDerWaalsContact CG2-CD2 3.41Å; V882-F1109 HydrophobicContact CG2-CE2 4Å; V882-F1109 HydrophobicContact CG2-CG 3.72Å |
| 883 | K | 38.3 | Very low | 44.5 | Very low | 109 Ų | 109 | 79.3 Ų | 79.3 | 47% | 0.474 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 81.9 | 169.1 | -78.9 | -168.8 | 175.7 | -174.4 | 0 | 110.5 | A881 H885 Y891 | A881-K883 PolarHBondContact O-N 3.32Å; K883-H885 PolarHBondContact O-CE1 3.42Å; K883-H885 PolarHBondContact O-N 3.43Å; K883-H885 PolarHBondContact O-ND1 3.11Å; K883-Y891 WeakPolarHBondContact CA-O 3.47Å |
| 884 | I | 46.2 | Very low | 46.2 | Very low | 30 Ų | 30 | 76.3 Ų | 76.3 | 15% | 0.154 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 113.5 | 172.2 | -40.1 | 179.1 | 0 | 0 | 0 | 108.1 | V882 N886 Y891 F893 F1109 P1120 | V882-I884 VanDerWaalsContact C-N 3.34Å; V882-I884 HydrophobicContact CB-CG1 4.19Å; V882-I884 HydrophobicContact CG1-CD1 4.45Å; V882-I884 HydrophobicContact CG1-CG1 3.67Å; V882-I884 PolarHBondContact O-N 2.88Å; I884-N886 PolarHBondContact O-N 3.28Å; I884-N886 VanDerWaalsContact O-N 3.12Å; I884-Y891 PolarHBondContact N-O 3.5Å; I884-F893 HydrophobicContact CB-CD2 3.97Å; I884-F893 HydrophobicContact CB-CE2 3.97Å; I884-F893 HydrophobicContact CD1-CD2 3.65Å; I884-F893 HydrophobicContact CD1-CE2 3.91Å; I884-F893 HydrophobicContact CD1-CG 4.02Å; I884-F893 HydrophobicContact CD1-CZ 4.48Å; I884-F893 HydrophobicContact CG1-CD2 3.71Å; I884-F893 HydrophobicContact CG1-CE2 4.12Å; I884-F893 HydrophobicContact CG1-CG 4.41Å; I884-F1109 HydrophobicContact CD1-CD1 4.47Å; I884-P1120 HydrophobicContact CB-CG 4.1Å; I884-P1120 HydrophobicContact CG2-CG 3.86Å |
| 885 | H | 40.1 | Very low | 47.6 | Very low | 144 Ų | 144 | 71.3 Ų | 71.3 | 67% | 0.667 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 98.3 | -172.3 | -68.7 | 69 | 0 | 0 | 0 | 110.1 | K883 | K883-H885 PolarHBondContact O-CE1 3.42Å; K883-H885 PolarHBondContact O-N 3.43Å; K883-H885 PolarHBondContact O-ND1 3.11Å |
| 886 | N | 38.8 | Very low | 49 | Very low | 26 Ų | 26 | 72.3 Ų | 72.3 | 14% | 0.139 | 38% | 0.378 | C | S | . | . | trans | -67.3 | 148.5 | 161.3 | -163.6 | -27.3 | 0 | 0 | 0 | 108.3 | I884 L888 F889 Y891 P1120 L1121 | I884-N886 PolarHBondContact O-N 3.28Å; I884-N886 VanDerWaalsContact O-N 3.12Å; N886-L888 PolarHBondContact O-N 3.38Å; N886-F889 WeakPolarHBondContact CB-O 3.48Å; N886-F889 PolarHBondContact N-O 2.88Å; N886-Y891 HydrophobicContact CB-CD2 4.1Å; N886-Y891 HydrophobicContact CB-CE2 4.25Å; N886-P1120 HydrophobicContact CB-CB 4.44Å; N886-P1120 HydrophobicContact CB-CG 4.21Å; N886-L1121 PolarHBondContact ND2-O 3.38Å; N886-L1121 PolarHBondContact OD1-O 3.1Å | ||
| 887 | I | 44.1 | Very low | 50.6 | Low | 129 Ų | 129 | 65.8 Ų | 65.8 | 66% | 0.662 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -60 | -23 | -173.7 | -64.3 | 172.9 | 0 | 0 | 0 | 111.9 | K160 | K160-I887 PolarHBondContact NZ-O 2.73Š|
| 888 | L | 37.8 | Very low | 52.4 | Low | 137 Ų | 137 | 64.3 Ų | 64.3 | 72% | 0.717 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -105 | -39.9 | -178.1 | -60 | 174.6 | 0 | 0 | 0 | 114.2 | N886 | N886-L888 PolarHBondContact O-N 3.38Š|
| 889 | F | 44.8 | Very low | 54.4 | Low | 102 Ų | 102 | 64.9 Ų | 64.9 | 45% | 0.447 | 34% | 0.335 | S | S | . | . | trans | -143.9 | 144.1 | -176.9 | -60.1 | -75 | 0 | 0 | 0 | 112.8 | N886 Y891 | N886-F889 WeakPolarHBondContact CB-O 3.48Å; N886-F889 PolarHBondContact N-O 2.88Å; F889-Y891 HydrophobicContact CB-CD2 4.49Å; F889-Y891 HydrophobicContact CB-CE2 3.86Å; F889-Y891 WeakPolarHBondContact O-CD2 3.2Å; F889-Y891 PolarHBondContact O-N 3.44Å | ||
| 890 | P | 48.9 | Very low | 56.4 | Low | 93 Ų | 93 | 65 Ų | 65 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 106.8 | 177.2 | 32.5 | -32.3 | 0 | 0 | 0 | 111.7 | ||
| 891 | Y | 56.2 | Low | 58.5 | Low | 35 Ų | 35 | 65 Ų | 65 | 14% | 0.137 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 144.8 | 174.9 | -68.7 | -92.5 | 0 | 0 | 0 | 111.4 | K883 I884 N886 F889 A918 L937 D1123 | K883-Y891 WeakPolarHBondContact CA-O 3.47Å; I884-Y891 PolarHBondContact N-O 3.5Å; N886-Y891 HydrophobicContact CB-CD2 4.1Å; N886-Y891 HydrophobicContact CB-CE2 4.25Å; F889-Y891 HydrophobicContact CB-CD2 4.49Å; F889-Y891 HydrophobicContact CB-CE2 3.86Å; F889-Y891 WeakPolarHBondContact O-CD2 3.2Å; F889-Y891 PolarHBondContact O-N 3.44Å; Y891-A918 HydrophobicContact CD1-CB 4.39Å; Y891-L937 HydrophobicContact CD1-CD2 4.14Å; Y891-L937 HydrophobicContact CE1-CD1 4.4Å; Y891-L937 HydrophobicContact CE2-CD1 4.37Å; Y891-L937 HydrophobicContact CG-CD2 4.29Å; Y891-D1123 WeakPolarHBondContact OH-CB 3.47Å; Y891-D1123 PolarHBondContact OH-OD2 3.08Å |
| 892 | R | 58.2 | Low | 60.5 | Low | 158 Ų | 158 | 69 Ų | 69 | 60% | 0.596 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 111.1 | 169.5 | 178.2 | -178.3 | 178.3 | 144 | 6.6 | 107.5 | A881 | A881-R892 HydrophobicContact CB-CG 3.91Å; A881-R892 VanDerWaalsContact CB-CZ 3.5Å; A881-R892 VanDerWaalsContact CB-NH2 3.3Å |
| 893 | F | 65.6 | Low | 62.7 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 119 | 174.5 | -80.9 | -95.5 | 0 | 0 | 0 | 110.5 | A881 V882 I884 M897 I916 L937 V939 F1109 P1120 | A881-F893 CarbonylContact C-O 3.32Å; A881-F893 WeakPolarHBondContact CA-O 3.43Å; V882-F893 PolarHBondContact N-O 2.91Å; V882-F893 VanDerWaalsContact N-O 3.07Å; V882-F893 PolarHBondContact O-N 3.3Å; I884-F893 HydrophobicContact CB-CD2 3.97Å; I884-F893 HydrophobicContact CB-CE2 3.97Å; I884-F893 HydrophobicContact CD1-CD2 3.65Å; I884-F893 HydrophobicContact CD1-CE2 3.91Å; I884-F893 HydrophobicContact CD1-CG 4.02Å; I884-F893 HydrophobicContact CD1-CZ 4.48Å; I884-F893 HydrophobicContact CG1-CD2 3.71Å; I884-F893 HydrophobicContact CG1-CE2 4.12Å; I884-F893 HydrophobicContact CG1-CG 4.41Å; F893-M897 HydrophobicContact CD1-CE 3.84Å; F893-M897 HydrophobicContact CE1-CE 4.12Å; F893-M897 HydrophobicContact CG-CE 4.35Å; F893-I916 HydrophobicContact CE1-CD1 4.13Å; F893-L937 HydrophobicContact CE1-CD2 4.03Å; F893-L937 HydrophobicContact CE2-CD2 4.18Å; F893-L937 HydrophobicContact CZ-CD2 3.49Å; F893-L937 VanDerWaalsContact CZ-CD2 3.49Å; F893-V939 HydrophobicContact CE1-CG1 4.09Å; F893-V939 HydrophobicContact CZ-CG1 4Å; F893-F1109 HydrophobicContact CB-CD1 4.49Å; F893-F1109 HydrophobicContact CB-CE1 3.64Å; F893-F1109 HydrophobicContact CB-CZ 3.81Å; F893-F1109 HydrophobicContact CD1-CE1 4.27Å; F893-F1109 HydrophobicContact CG-CE1 4.28Å; F893-P1120 HydrophobicContact CE2-CB 4.14Å; F893-P1120 HydrophobicContact CE2-CG 4.03Å; F893-P1120 HydrophobicContact CZ-CB 3.98Å; F893-P1120 HydrophobicContact CZ-CG 4.31Å |
| 894 | S | 70.2 | Confident | 65.1 | Low | 8 Ų | 8 | 65.8 Ų | 65.8 | 6% | 0.056 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 158.2 | 168.2 | 70.3 | 0 | 0 | 0 | 0 | 111.6 | L880 N896 M897 E920 | L880-S894 WeakPolarHBondContact O-CA 3.39Å; S894-N896 PolarHBondContact O-N 2.86Å; S894-M897 WeakPolarHBondContact O-CB 3.4Å; S894-M897 PolarHBondContact O-N 3.47Å; S894-M897 WeakPolarHBondContact OG-CG 3.47Å; S894-M897 PolarHBondContact OG-N 3.31Å; S894-E920 WeakPolarHBondContact CB-OE1 3.36Å; S894-E920 PolarHBondContact OG-OE1 2.96Å |
| 895 | K | 74.5 | Confident | 67.1 | Low | 21 Ų | 21 | 68.9 Ų | 68.9 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.6 | -40 | 172.4 | -179.5 | 173.6 | 175.3 | 170.6 | 0 | 111.2 | M897 I898 S1103 S1104 C1105 | K895-M897 VanDerWaalsContact C-N 3.25Å; K895-M897 PolarHBondContact O-N 3.1Å; K895-I898 WeakPolarHBondContact O-CB 3.24Å; K895-I898 WeakPolarHBondContact O-CG1 3.25Å; K895-I898 PolarHBondContact O-N 2.99Å; K895-S1103 WeakPolarHBondContact CE-O 3Å; K895-S1104 PolarHBondContact NZ-O 2.89Å; K895-C1105 VanDerWaalsContact CE-O 3.23Å; K895-C1105 WeakPolarHBondContact CE-O 3.45Å; K895-C1105 PolarHBondContact NZ-O 3.04Å |
| 896 | N | 71.9 | Confident | 69.7 | Low | 93 Ų | 93 | 63.5 Ų | 63.5 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.3 | -34.9 | 179.5 | -64 | -15.4 | 0 | 0 | 0 | 113.2 | S894 I898 H899 | S894-N896 PolarHBondContact O-N 2.86Å; N896-I898 PolarHBondContact O-N 3.44Å; N896-H899 PolarHBondContact O-N 3.05Å |
| 897 | M | 75.6 | Confident | 72.1 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 4% | 0.044 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.2 | -29 | 174.6 | -72.6 | 168.9 | 59.8 | 0 | 0 | 113 | F893 S894 K895 S900 I916 A918 | F893-M897 HydrophobicContact CD1-CE 3.84Å; F893-M897 HydrophobicContact CE1-CE 4.12Å; F893-M897 HydrophobicContact CG-CE 4.35Å; S894-M897 WeakPolarHBondContact O-CB 3.4Å; S894-M897 PolarHBondContact O-N 3.47Å; S894-M897 WeakPolarHBondContact OG-CG 3.47Å; S894-M897 PolarHBondContact OG-N 3.31Å; K895-M897 VanDerWaalsContact C-N 3.25Å; K895-M897 PolarHBondContact O-N 3.1Å; M897-S900 WeakPolarHBondContact O-CB 3.42Å; M897-S900 PolarHBondContact O-N 3.43Å; M897-S900 VanDerWaalsContact O-N 3.15Å; M897-S900 PolarHBondContact O-OG 3.35Å; M897-I916 HydrophobicContact CB-CG2 3.9Å; M897-I916 HydrophobicContact CE-CG2 3.67Å; M897-I916 HydrophobicContact CG-CG2 4.48Å; M897-A918 HydrophobicContact CE-CB 3.85Å |
| 898 | I | 80.7 | Confident | 74.1 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.1 | -29.7 | 179.9 | -46.6 | -179.9 | 0 | 0 | 0 | 111.1 | K895 N896 S900 M901 P1108 F1109 I1118 | K895-I898 WeakPolarHBondContact O-CB 3.24Å; K895-I898 WeakPolarHBondContact O-CG1 3.25Å; K895-I898 PolarHBondContact O-N 2.99Å; N896-I898 PolarHBondContact O-N 3.44Å; I898-S900 PolarHBondContact O-N 3.48Å; I898-M901 HydrophobicContact CG2-SD 3.93Å; I898-M901 WeakPolarHBondContact O-CB 3.36Å; I898-M901 PolarHBondContact O-N 3.31Å; I898-M901 VanDerWaalsContact O-N 3.09Å; I898-P1108 HydrophobicContact CD1-CB 3.55Å; I898-P1108 HydrophobicContact CD1-CG 3.38Å; I898-F1109 HydrophobicContact CD1-CD1 4.41Å; I898-F1109 HydrophobicContact CD1-CE1 3.74Å; I898-F1109 HydrophobicContact CD1-CE2 4.49Å; I898-F1109 HydrophobicContact CD1-CZ 3.8Å; I898-F1109 HydrophobicContact CG1-CE1 4.25Å; I898-F1109 HydrophobicContact CG1-CZ 4.32Å; I898-I1118 HydrophobicContact CD1-CD1 4.02Å; I898-I1118 HydrophobicContact CG1-CD1 4.42Å |
| 899 | H | 80.3 | Confident | 76.6 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.6 | -19.4 | 172 | -58.3 | -51 | 0 | 0 | 0 | 112.7 | N896 M901 S1103 | N896-H899 PolarHBondContact O-N 3.05Å; H899-M901 VanDerWaalsContact C-N 3.29Å; H899-S1103 PolarHBondContact CE1-O 2.88Å; H899-S1103 PolarHBondContact CE1-OG 2.91Å; H899-S1103 WeakPolarHBondContact ND1-CB 3.44Å; H899-S1103 PolarHBondContact ND1-OG 3.45Å |
| 900 | S | 80.6 | Confident | 78.6 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 38% | 0.378 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 0.8 | 172.2 | 82 | 0 | 0 | 0 | 0 | 114.4 | M897 I898 K902 N917 | M897-S900 WeakPolarHBondContact O-CB 3.42Å; M897-S900 PolarHBondContact O-N 3.43Å; M897-S900 VanDerWaalsContact O-N 3.15Å; M897-S900 PolarHBondContact O-OG 3.35Å; I898-S900 PolarHBondContact O-N 3.48Å; S900-K902 PolarHBondContact O-N 2.95Å; S900-N917 PolarHBondContact OG-N 2.8Å |
| 901 | M | 86.6 | Confident | 80.7 | Confident | 18 Ų | 18 | 60 Ų | 60 | 9% | 0.089 | 29% | 0.293 | C | S | . | . | trans | -78.5 | 107.8 | -163.6 | -169.6 | 169.3 | -157.8 | 0 | 0 | 113.4 | I898 H899 C914 L915 I916 V939 V941 V1099 I1118 | I898-M901 HydrophobicContact CG2-SD 3.93Å; I898-M901 WeakPolarHBondContact O-CB 3.36Å; I898-M901 PolarHBondContact O-N 3.31Å; I898-M901 VanDerWaalsContact O-N 3.09Å; H899-M901 VanDerWaalsContact C-N 3.29Å; M901-C914 HydrophobicContact CE-CB 3.39Å; M901-C914 HydrophobicContact CG-CB 3.72Å; M901-C914 HydrophobicContact SD-CB 4.36Å; M901-L915 WeakPolarHBondContact CA-O 3.47Å; M901-I916 HydrophobicContact CB-CD1 4.44Å; M901-I916 HydrophobicContact CB-CG1 3.99Å; M901-I916 HydrophobicContact CE-CD1 3.82Å; M901-I916 HydrophobicContact CE-CG1 4.31Å; M901-I916 HydrophobicContact CG-CD1 4.08Å; M901-I916 HydrophobicContact CG-CG1 3.78Å; M901-I916 HydrophobicContact SD-CD1 3.98Å; M901-I916 HydrophobicContact SD-CG1 4.36Å; M901-V939 HydrophobicContact CE-CG2 3.3Å; M901-V941 HydrophobicContact CE-CG2 3.2Å; M901-V941 HydrophobicContact SD-CG2 4.28Å; M901-V1099 HydrophobicContact CB-CG1 3.83Å; M901-V1099 HydrophobicContact CG-CG1 3.73Å; M901-V1099 HydrophobicContact SD-CG1 3.65Å; M901-V1099 HydrophobicContact SD-CG2 4.45Å; M901-I1118 HydrophobicContact CE-CG2 4.46Å | ||
| 902 | K | 86.7 | Confident | 82.5 | Confident | 117 Ų | 117 | 58.3 Ų | 58.3 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 110 | 179.4 | -174.2 | 173.3 | -179.7 | 176 | 0 | 111 | S900 V904 C914 L915 | S900-K902 PolarHBondContact O-N 2.95Å; K902-V904 PolarHBondContact O-N 2.82Å; K902-C914 CarbonylContact O-C 3.6Å; K902-C914 WeakPolarHBondContact O-CA 3.32Å; K902-L915 PolarHBondContact N-O 2.93Å; K902-L915 PolarHBondContact O-N 2.82Å |
| 903 | V | 90.2 | Very high | 84.1 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 127.7 | 170.2 | 179 | 0 | 0 | 0 | 0 | 110.2 | C1095 R1096 V1099 | V903-C1095 HydrophobicContact CG1-CB 3.79Å; V903-C1095 HydrophobicContact CG2-CB 4.47Å; V903-R1096 HydrophobicContact CB-CG 4.28Å; V903-R1096 HydrophobicContact CG2-CG 4.24Å; V903-V1099 HydrophobicContact CG2-CB 4.21Å; V903-V1099 HydrophobicContact CG2-CG2 3.83Å |
| 904 | V | 89.4 | Confident | 85.3 | Confident | 78 Ų | 78 | 51.5 Ų | 51.5 | 47% | 0.473 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -64 | 171.6 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | K902 A913 L915 | K902-V904 PolarHBondContact O-N 2.82Å; V904-A913 WeakPolarHBondContact CA-O 3.23Å; V904-A913 HydrophobicContact CB-CB 4.48Å; V904-A913 VanDerWaalsContact CB-O 3.31Å; V904-A913 WeakPolarHBondContact CB-O 3.29Å; V904-A913 PolarHBondContact N-O 3.11Å; V904-L915 HydrophobicContact CG2-CD1 4.09Å; V904-L915 HydrophobicContact CG2-CG 3.82Å |
| 905 | N | 88.7 | Confident | 86.1 | Confident | 96 Ų | 96 | 52.9 Ų | 52.9 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 168.8 | 174.6 | -155.4 | 3.4 | 0 | 0 | 0 | 111.8 | A913 | N905-A913 PolarHBondContact N-O 2.86Å; N905-A913 PolarHBondContact O-N 2.67Å |
| 906 | Q | 93.4 | Very high | 86.6 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 143.1 | 163.5 | -163.4 | -177.3 | 37.4 | 0 | 0 | 110.3 | F911 L912 D1088 L1090 | Q906-F911 CarbonylContact C-O 3.25Å; Q906-F911 WeakPolarHBondContact CA-O 3.39Å; Q906-L912 HydrophobicContact CB-CD2 4.31Å; Q906-L912 HydrophobicContact CG-CD2 4.12Å; Q906-D1088 PolarHBondContact NE2-O 3.29Å; Q906-L1090 VanDerWaalsContact OE1-N 3.07Å |
| 907 | V | 89.9 | Confident | 87 | Confident | 51 Ų | 51 | 51.1 Ų | 51.1 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.8 | 178.1 | 179.6 | 0 | 0 | 0 | 0 | 109 | K909 K910 F911 A913 | V907-K909 PolarHBondContact O-N 3.16Å; V907-K910 PolarHBondContact O-N 2.76Å; V907-F911 HydrophobicContact CB-CB 4.47Å; V907-F911 PolarHBondContact N-O 3.14Å; V907-F911 PolarHBondContact O-N 3.44Å; V907-A913 HydrophobicContact CG2-CB 3.73Å |
| 908 | D | 86.9 | Confident | 86.5 | Confident | 121 Ų | 121 | 52 Ų | 52 | 65% | 0.647 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 16.1 | 179.4 | -62.8 | -8 | 0 | 0 | 0 | 116.2 | K910 | D908-K910 HydrophobicContact CB-CD 4.45Å; D908-K910 WeakPolarHBondContact O-CG 3.47Å; D908-K910 PolarHBondContact O-N 3.05Å |
| 909 | K | 89.7 | Confident | 85.7 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 34.4 | -168.1 | -52.7 | -175.3 | -174.2 | -170 | 0 | 113.4 | V907 Q943 N1087 T1089 | V907-K909 PolarHBondContact O-N 3.16Å; K909-Q943 PolarHBondContact O-NE2 3.47Å; K909-N1087 VanDerWaalsContact CD-O 3.24Å; K909-N1087 WeakPolarHBondContact CD-O 3.35Å; K909-N1087 WeakPolarHBondContact O-CA 3.21Å; K909-N1087 PolarHBondContact O-N 2.67Å; K909-T1089 HydrophobicContact CD-CG2 3.59Å; K909-T1089 HydrophobicContact CG-CG2 4.23Å; K909-T1089 VanDerWaalsContact NZ-CG2 3.33Å |
| 910 | K | 87.3 | Confident | 84.3 | Confident | 78 Ų | 78 | 61.2 Ų | 61.2 | 34% | 0.339 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.6 | -33.4 | -174.9 | -67 | 171.8 | -172.6 | 168.5 | 0 | 113.4 | V907 D908 Q943 F1086 N1087 | V907-K910 PolarHBondContact O-N 2.76Å; D908-K910 HydrophobicContact CB-CD 4.45Å; D908-K910 WeakPolarHBondContact O-CG 3.47Å; D908-K910 PolarHBondContact O-N 3.05Å; K910-Q943 WeakPolarHBondContact O-CG 3.36Å; K910-Q943 PolarHBondContact O-N 3.12Å; K910-Q943 VanDerWaalsContact O-N 3.1Å; K910-F1086 HydrophobicContact CB-CD1 3.92Å; K910-F1086 HydrophobicContact CB-CE1 4.45Å; K910-F1086 HydrophobicContact CD-CD1 4.46Å; K910-F1086 HydrophobicContact CG-CB 4.05Å; K910-F1086 HydrophobicContact CG-CD1 3.72Å; K910-F1086 HydrophobicContact CG-CG 4.22Å; K910-N1087 WeakPolarHBondContact CE-OD1 3.48Å |
| 911 | F | 93.1 | Very high | 82.5 | Confident | 64 Ų | 64 | 62.7 Ų | 62.7 | 28% | 0.281 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 152.4 | -175.9 | -55.3 | -75.6 | 0 | 0 | 0 | 111.4 | Q906 V907 L940 V941 D942 | Q906-F911 CarbonylContact C-O 3.25Å; Q906-F911 WeakPolarHBondContact CA-O 3.39Å; V907-F911 HydrophobicContact CB-CB 4.47Å; V907-F911 PolarHBondContact N-O 3.14Å; V907-F911 PolarHBondContact O-N 3.44Å; F911-L940 HydrophobicContact CB-CB 4.38Å; F911-L940 HydrophobicContact CB-CD1 4.44Å; F911-L940 HydrophobicContact CB-CD2 4.23Å; F911-L940 HydrophobicContact CG-CD1 4.3Å; F911-V941 CarbonylContact C-O 3.58Å; F911-V941 WeakPolarHBondContact CA-O 3.46Å; F911-D942 HydrophobicContact CD1-CB 4.1Å; F911-D942 HydrophobicContact CE1-CB 4.04Å |
| 912 | L | 92.5 | Very high | 79.9 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.8 | 165.6 | -49.2 | -174.2 | 0 | 0 | 0 | 108.3 | Q906 L940 V941 L1090 C1095 L1098 V1099 | Q906-L912 HydrophobicContact CB-CD2 4.31Å; Q906-L912 HydrophobicContact CG-CD2 4.12Å; L912-L940 CarbonylContact O-C 3.58Å; L912-L940 WeakPolarHBondContact O-CA 3.26Å; L912-V941 HydrophobicContact CB-CB 4.14Å; L912-V941 HydrophobicContact CB-CG2 4.49Å; L912-V941 PolarHBondContact N-O 3.18Å; L912-V941 PolarHBondContact O-N 3.3Å; L912-L1090 HydrophobicContact CD2-CD1 4.37Å; L912-C1095 HydrophobicContact CD1-CB 4Å; L912-C1095 HydrophobicContact CD2-CB 4Å; L912-C1095 WeakPolarHBondContact CD2-SG 3.43Å; L912-L1098 HydrophobicContact CD1-CD2 4.27Å; L912-V1099 HydrophobicContact CD1-CG2 3.95Å |
| 913 | A | 91.5 | Very high | 77.6 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 12% | 0.124 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | V904 N905 V907 L940 | V904-A913 WeakPolarHBondContact CA-O 3.23Å; V904-A913 HydrophobicContact CB-CB 4.48Å; V904-A913 VanDerWaalsContact CB-O 3.31Å; V904-A913 WeakPolarHBondContact CB-O 3.29Å; V904-A913 PolarHBondContact N-O 3.11Å; N905-A913 PolarHBondContact N-O 2.86Å; N905-A913 PolarHBondContact O-N 2.67Å; V907-A913 HydrophobicContact CG2-CB 3.73Å; A913-L940 HydrophobicContact CB-CD2 4.13Å |
| 914 | C | 90.6 | Very high | 74.8 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.5 | -173.5 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | M901 K902 V939 | M901-C914 HydrophobicContact CE-CB 3.39Å; M901-C914 HydrophobicContact CG-CB 3.72Å; M901-C914 HydrophobicContact SD-CB 4.36Å; K902-C914 CarbonylContact O-C 3.6Å; K902-C914 WeakPolarHBondContact O-CA 3.32Å; C914-V939 HydrophobicContact CB-CG2 4.06Å; C914-V939 PolarHBondContact N-O 3.3Å; C914-V939 PolarHBondContact O-N 3.25Å |
| 915 | L | 86.9 | Confident | 72.6 | Confident | 38 Ų | 38 | 72.2 Ų | 72.2 | 20% | 0.199 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.7 | 171.8 | -64 | 171.6 | 0 | 0 | 0 | 109.8 | M901 K902 V904 L938 I1124 | M901-L915 WeakPolarHBondContact CA-O 3.47Å; K902-L915 PolarHBondContact N-O 2.93Å; K902-L915 PolarHBondContact O-N 2.82Å; V904-L915 HydrophobicContact CG2-CD1 4.09Å; V904-L915 HydrophobicContact CG2-CG 3.82Å; L915-L938 HydrophobicContact CD2-CB 4.18Å; L915-L938 HydrophobicContact CD2-CD1 3.81Å; L915-I1124 HydrophobicContact CD2-CD1 3.61Å |
| 916 | I | 85.9 | Confident | 70 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 145.7 | 176.3 | -72.6 | 179.7 | 0 | 0 | 0 | 108.8 | F893 M897 M901 G935 N936 L937 V939 | F893-I916 HydrophobicContact CE1-CD1 4.13Å; M897-I916 HydrophobicContact CB-CG2 3.9Å; M897-I916 HydrophobicContact CE-CG2 3.67Å; M897-I916 HydrophobicContact CG-CG2 4.48Å; M901-I916 HydrophobicContact CB-CD1 4.44Å; M901-I916 HydrophobicContact CB-CG1 3.99Å; M901-I916 HydrophobicContact CE-CD1 3.82Å; M901-I916 HydrophobicContact CE-CG1 4.31Å; M901-I916 HydrophobicContact CG-CD1 4.08Å; M901-I916 HydrophobicContact CG-CG1 3.78Å; M901-I916 HydrophobicContact SD-CD1 3.98Å; M901-I916 HydrophobicContact SD-CG1 4.36Å; I916-G935 CarbonylContact O-C 3.44Å; I916-G935 WeakPolarHBondContact O-CA 3.37Å; I916-N936 PolarHBondContact O-N 3.38Å; I916-N936 VanDerWaalsContact O-N 3.15Å; I916-L937 PolarHBondContact N-O 3.02Å; I916-L937 PolarHBondContact O-N 2.76Å; I916-V939 HydrophobicContact CD1-CG1 4.16Å; I916-V939 HydrophobicContact CD1-CG2 3.82Å; I916-V939 HydrophobicContact CG1-CG2 4.27Å |
| 917 | N | 79.4 | Confident | 67.1 | Low | 76 Ų | 76 | 80.5 Ų | 80.5 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | trans | -88.1 | 122 | 165.9 | -174.1 | 0.5 | 0 | 0 | 0 | 109.7 | S900 R919 | S900-N917 PolarHBondContact OG-N 2.8Å; N917-R919 PolarHBondContact OD1-N 3.26Å | ||
| 918 | A | 65.5 | Low | 64.6 | Low | 28 Ų | 28 | 87.6 Ų | 87.6 | 23% | 0.231 | 50% | 0.504 | C | S | . | . | trans | -104.4 | 12.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y891 M897 N936 L937 | Y891-A918 HydrophobicContact CD1-CB 4.39Å; M897-A918 HydrophobicContact CE-CB 3.85Å; A918-N936 PolarHBondContact N-OD1 3.39Å; A918-L937 HydrophobicContact CB-CB 4.23Å; A918-L937 HydrophobicContact CB-CD2 4.17Å | ||
| 919 | R | 64.8 | Low | 62.2 | Low | 186 Ų | 186 | 86.5 Ų | 86.5 | 70% | 0.702 | 51% | 0.506 | S | S | * | . | trans | -101.6 | 97.1 | 171.7 | -66.2 | -172.3 | 179.7 | -167.5 | 1.6 | 110.8 | N917 | N917-R919 PolarHBondContact OD1-N 3.26Š| ||
| 920 | E | 50.6 | Low | 59.6 | Low | 121 Ų | 121 | 89.2 Ų | 89.2 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | trans | -76.6 | 124.5 | 168.2 | -65.2 | -177.1 | 146.3 | 0 | 0 | 110.2 | S894 | S894-E920 WeakPolarHBondContact CB-OE1 3.36Å; S894-E920 PolarHBondContact OG-OE1 2.96Å | ||
| 921 | G | 42.6 | Very low | 57.2 | Low | 86 Ų | 86 | 91.7 Ų | 91.7 | 89% | 0.887 | 54% | 0.542 | S | S | * | . | trans | 72.5 | 96.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 922 | G | 32.3 | Very low | 54.7 | Low | 72 Ų | 72 | 95.8 Ų | 95.8 | 74% | 0.742 | 56% | 0.56 | S | S | * | * | trans | -144.2 | 74.4 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | T924 | G922-T924 PolarHBondContact O-N 3.19Å; G922-T924 VanDerWaalsContact O-N 3.12Å | ||
| 923 | S | 38.4 | Very low | 52.4 | Low | 127 Ų | 127 | 102.1 Ų | 102.1 | 89% | 0.888 | 59% | 0.592 | S | S | * | * | trans | -80.9 | 85.9 | -176.1 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 924 | T | 30.8 | Very low | 50.5 | Low | 120 Ų | 120 | 106.9 Ų | 106.9 | 74% | 0.736 | 62% | 0.62 | S | S | * | * | trans | -136.2 | 123.6 | 164.6 | 42.4 | 0 | 0 | 0 | 0 | 109.5 | G922 Q926 | G922-T924 PolarHBondContact O-N 3.19Å; G922-T924 VanDerWaalsContact O-N 3.12Å; T924-Q926 PolarHBondContact O-N 3.49Å | ||
| 925 | A | 43.2 | Very low | 49 | Very low | 108 Ų | 108 | 107.4 Ų | 107.4 | 89% | 0.893 | 63% | 0.625 | S | S | * | * | trans | -70.5 | 118.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 926 | Q | 33.8 | Very low | 48.3 | Very low | 175 Ų | 175 | 106.1 Ų | 106.1 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | trans | -137.9 | 111.8 | 166.4 | -70.2 | -168.2 | -23.5 | 0 | 0 | 109.4 | T924 | T924-Q926 PolarHBondContact O-N 3.49Š| ||
| 927 | T | 33 | Very low | 48 | Very low | 125 Ų | 125 | 106.1 Ų | 106.1 | 77% | 0.767 | 62% | 0.618 | S | S | * | * | trans | 22.2 | 122.8 | 159.3 | 45.8 | 0 | 0 | 0 | 0 | 119.7 | S929 | T927-S929 VanDerWaalsContact C-N 3.32Å; T927-S929 PolarHBondContact O-N 2.68Å | ||
| 928 | E | 38.1 | Very low | 48.4 | Very low | 200 Ų | 200 | 104.6 Ų | 104.6 | 94% | 0.935 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -68.5 | 77.6 | 173 | -61.2 | 176.1 | 127.8 | 0 | 0 | 112.5 | ||
| 929 | S | 35.4 | Very low | 49.4 | Very low | 98 Ų | 98 | 103.2 Ų | 103.2 | 69% | 0.685 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -155.1 | 132.7 | 165.4 | -77.2 | 0 | 0 | 0 | 0 | 110.5 | T927 | T927-S929 VanDerWaalsContact C-N 3.32Å; T927-S929 PolarHBondContact O-N 2.68Å |
| 930 | E | 35.5 | Very low | 50.7 | Low | 156 Ų | 156 | 96 Ų | 96 | 73% | 0.729 | 57% | 0.574 | S | S | * | * | trans | 57.6 | 45.8 | 179 | -63.6 | -142.1 | 103.3 | 0 | 0 | 117.6 | K932 | E930-K932 PolarHBondContact O-N 2.86Å; E930-K932 IonicContact OE1-NZ 3.16Å; E930-K932 PolarHBondContact OE1-NZ 3.06Å | ||
| 931 | V | 37.6 | Very low | 52.7 | Low | 131 Ų | 131 | 90.3 Ų | 90.3 | 79% | 0.794 | 55% | 0.547 | S | S | * | . | trans | -71.4 | 69.4 | 158.1 | -172.8 | 0 | 0 | 0 | 0 | 110 | I933 | V931-I933 PolarHBondContact O-N 3.26Š| ||
| 932 | K | 40.4 | Very low | 55.1 | Low | 150 Ų | 150 | 87.7 Ų | 87.7 | 65% | 0.652 | 51% | 0.513 | S | S | * | . | trans | -74.3 | 106.5 | 176.8 | -128.2 | 167.5 | -158.3 | 141.4 | 0 | 108.3 | E930 T934 | E930-K932 PolarHBondContact O-N 2.86Å; E930-K932 IonicContact OE1-NZ 3.16Å; E930-K932 PolarHBondContact OE1-NZ 3.06Å; K932-T934 PolarHBondContact O-N 3.17Å | ||
| 933 | I | 45.3 | Very low | 58 | Low | 132 Ų | 132 | 84.2 Ų | 84.2 | 68% | 0.677 | 48% | 0.478 | S | S | * | . | trans | -65 | 90 | -169.3 | -53.8 | 167 | 0 | 0 | 0 | 111.7 | V931 | V931-I933 PolarHBondContact O-N 3.26Š| ||
| 934 | T | 49.9 | Very low | 60.6 | Low | 115 Ų | 115 | 79.2 Ų | 79.2 | 71% | 0.706 | 44% | 0.44 | S | S | * | . | trans | -105.1 | 94.1 | 172.9 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | K932 N936 | K932-T934 PolarHBondContact O-N 3.17Å; T934-N936 PolarHBondContact O-N 2.89Å | ||
| 935 | G | 59.9 | Low | 63.5 | Low | 11 Ų | 11 | 73.5 Ų | 73.5 | 11% | 0.113 | 41% | 0.405 | C | S | . | . | trans | -63.7 | 126.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | I916 | I916-G935 CarbonylContact O-C 3.44Å; I916-G935 WeakPolarHBondContact O-CA 3.37Å | ||
| 936 | N | 72.4 | Confident | 65.8 | Low | 11 Ų | 11 | 68.4 Ų | 68.4 | 6% | 0.059 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -78.8 | -29.4 | -172.6 | 66.4 | -58.7 | 0 | 0 | 0 | 113.3 | I916 A918 T934 D1123 I1124 L1125 | I916-N936 PolarHBondContact O-N 3.38Å; I916-N936 VanDerWaalsContact O-N 3.15Å; A918-N936 PolarHBondContact N-OD1 3.39Å; T934-N936 PolarHBondContact O-N 2.89Å; N936-D1123 VanDerWaalsContact ND2-CG 3.35Å; N936-D1123 PolarHBondContact ND2-OD1 3.24Å; N936-D1123 PolarHBondContact ND2-OD2 2.94Å; N936-D1123 CarbonylContact O-C 3.08Å; N936-D1123 WeakPolarHBondContact O-CA 3.32Å; N936-I1124 WeakPolarHBondContact O-CB 3.47Å; N936-I1124 WeakPolarHBondContact O-CG1 3.35Å; N936-I1124 PolarHBondContact O-N 2.94Å; N936-L1125 HydrophobicContact CB-CD1 3.55Å; N936-L1125 HydrophobicContact CB-CG 3.73Å |
| 937 | L | 80.3 | Confident | 68.7 | Low | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.7 | -174 | -170.7 | 61.7 | 0 | 0 | 0 | 110.9 | Y891 F893 I916 A918 V939 P1120 D1123 | Y891-L937 HydrophobicContact CD1-CD2 4.14Å; Y891-L937 HydrophobicContact CE1-CD1 4.4Å; Y891-L937 HydrophobicContact CE2-CD1 4.37Å; Y891-L937 HydrophobicContact CG-CD2 4.29Å; F893-L937 HydrophobicContact CE1-CD2 4.03Å; F893-L937 HydrophobicContact CE2-CD2 4.18Å; F893-L937 HydrophobicContact CZ-CD2 3.49Å; F893-L937 VanDerWaalsContact CZ-CD2 3.49Å; I916-L937 PolarHBondContact N-O 3.02Å; I916-L937 PolarHBondContact O-N 2.76Å; A918-L937 HydrophobicContact CB-CB 4.23Å; A918-L937 HydrophobicContact CB-CD2 4.17Å; L937-V939 HydrophobicContact CD2-CG1 4.29Å; L937-V939 HydrophobicContact CG-CG1 3.97Å; L937-P1120 HydrophobicContact CD1-CB 4.35Å; L937-D1123 HydrophobicContact CD1-CB 4.19Å |
| 938 | L | 86.1 | Confident | 71.5 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127.8 | 169.6 | -178 | 69.7 | 0 | 0 | 0 | 109.6 | L915 L1121 V1122 | L915-L938 HydrophobicContact CD2-CB 4.18Å; L915-L938 HydrophobicContact CD2-CD1 3.81Å; L938-L1121 HydrophobicContact CD2-CB 4.48Å; L938-L1121 HydrophobicContact CD2-CD1 4.03Å; L938-L1121 HydrophobicContact CG-CD1 4.3Å; L938-L1121 PolarHBondContact O-N 3.37Å; L938-V1122 HydrophobicContact CB-CG1 4.01Å; L938-V1122 HydrophobicContact CD2-CG1 4.06Å; L938-V1122 PolarHBondContact N-O 3.49Å; L938-V1122 PolarHBondContact O-N 3.37Å |
| 939 | V | 88.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 157.2 | 178 | -46.7 | 0 | 0 | 0 | 0 | 111 | F893 M901 C914 I916 L937 I1118 V1119 P1120 | F893-V939 HydrophobicContact CE1-CG1 4.09Å; F893-V939 HydrophobicContact CZ-CG1 4Å; M901-V939 HydrophobicContact CE-CG2 3.3Å; C914-V939 HydrophobicContact CB-CG2 4.06Å; C914-V939 PolarHBondContact N-O 3.3Å; C914-V939 PolarHBondContact O-N 3.25Å; I916-V939 HydrophobicContact CD1-CG1 4.16Å; I916-V939 HydrophobicContact CD1-CG2 3.82Å; I916-V939 HydrophobicContact CG1-CG2 4.27Å; L937-V939 HydrophobicContact CD2-CG1 4.29Å; L937-V939 HydrophobicContact CG-CG1 3.97Å; V939-I1118 HydrophobicContact CB-CG2 4.16Å; V939-I1118 HydrophobicContact CG2-CG2 3.98Å; V939-V1119 CarbonylContact C-O 3.58Å; V939-V1119 VanDerWaalsContact CA-O 3.3Å; V939-V1119 WeakPolarHBondContact CA-O 3.31Å; V939-V1119 WeakPolarHBondContact CB-O 3.31Å; V939-P1120 HydrophobicContact CG1-CB 4.49Å |
| 940 | L | 91.7 | Very high | 77 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 18% | 0.183 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 141.6 | 164.2 | -63.1 | -179 | 0 | 0 | 0 | 110 | F911 L912 A913 I1118 V1119 L1121 | F911-L940 HydrophobicContact CB-CB 4.38Å; F911-L940 HydrophobicContact CB-CD1 4.44Å; F911-L940 HydrophobicContact CB-CD2 4.23Å; F911-L940 HydrophobicContact CG-CD1 4.3Å; L912-L940 CarbonylContact O-C 3.58Å; L912-L940 WeakPolarHBondContact O-CA 3.26Å; A913-L940 HydrophobicContact CB-CD2 4.13Å; L940-I1118 CarbonylContact O-C 3.6Å; L940-I1118 WeakPolarHBondContact O-CA 3.4Å; L940-V1119 PolarHBondContact N-O 3.16Å; L940-V1119 PolarHBondContact O-N 2.76Å; L940-L1121 HydrophobicContact CD1-CD1 4.13Å; L940-L1121 HydrophobicContact CD1-CD2 4.03Å; L940-L1121 HydrophobicContact CD1-CG 4.37Å; L940-L1121 HydrophobicContact CD2-CD1 4Å; L940-L1121 HydrophobicContact CG-CD1 3.74Å; L940-L1121 HydrophobicContact CG-CD2 4.13Å; L940-L1121 HydrophobicContact CG-CG 3.96Å |
| 941 | V | 92.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.6 | 162.8 | -169.5 | 0 | 0 | 0 | 0 | 108 | M901 F911 L912 Q943 A946 L1102 S1117 I1118 | M901-V941 HydrophobicContact CE-CG2 3.2Å; M901-V941 HydrophobicContact SD-CG2 4.28Å; F911-V941 CarbonylContact C-O 3.58Å; F911-V941 WeakPolarHBondContact CA-O 3.46Å; L912-V941 HydrophobicContact CB-CB 4.14Å; L912-V941 HydrophobicContact CB-CG2 4.49Å; L912-V941 PolarHBondContact N-O 3.18Å; L912-V941 PolarHBondContact O-N 3.3Å; V941-Q943 PolarHBondContact O-N 3.49Å; V941-A946 HydrophobicContact CG1-CB 3.64Å; V941-L1102 HydrophobicContact CG1-CD2 4.05Å; V941-S1117 CarbonylContact C-O 3.52Å; V941-S1117 VanDerWaalsContact CA-O 3.26Å; V941-S1117 WeakPolarHBondContact CA-O 3.44Å; V941-S1117 WeakPolarHBondContact CG1-O 3.46Å; V941-I1118 HydrophobicContact CG1-CG1 4.45Å; V941-I1118 HydrophobicContact CG2-CG1 4.36Å |
| 942 | D | 93.6 | Very high | 82.3 | Confident | 31 Ų | 31 | 34.8 Ų | 34.8 | 17% | 0.166 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 116.6 | 166.9 | 177 | -40.3 | 0 | 0 | 0 | 108.5 | F911 H944 A945 A946 S1117 | F911-D942 HydrophobicContact CD1-CB 4.1Å; F911-D942 HydrophobicContact CE1-CB 4.04Å; D942-H944 PolarHBondContact O-N 2.86Å; D942-H944 WeakPolarHBondContact OD1-CA 3.48Å; D942-H944 WeakPolarHBondContact OD1-CB 3.43Å; D942-H944 PolarHBondContact OD1-N 3.12Å; D942-A945 HydrophobicContact CB-CB 3.76Å; D942-A945 PolarHBondContact O-N 3.33Å; D942-A945 PolarHBondContact OD1-N 2.86Å; D942-A946 VanDerWaalsContact O-CB 3.29Å; D942-A946 WeakPolarHBondContact O-CB 3.45Å; D942-A946 PolarHBondContact O-N 2.9Å; D942-S1117 PolarHBondContact N-O 2.84Å |
| 943 | Q | 92.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.7 | -30.4 | -171.8 | 77 | -170.9 | 38.6 | 0 | 0 | 112.6 | K909 K910 V941 H947 I1084 K1085 D1088 L1090 L1098 | K909-Q943 PolarHBondContact O-NE2 3.47Å; K910-Q943 WeakPolarHBondContact O-CG 3.36Å; K910-Q943 PolarHBondContact O-N 3.12Å; K910-Q943 VanDerWaalsContact O-N 3.1Å; V941-Q943 PolarHBondContact O-N 3.49Å; Q943-H947 WeakPolarHBondContact O-CB 3.24Å; Q943-H947 PolarHBondContact O-N 2.8Å; Q943-I1084 HydrophobicContact CG-CG2 3.84Å; Q943-K1085 PolarHBondContact NE2-O 2.79Å; Q943-D1088 PolarHBondContact NE2-O 3.19Å; Q943-L1090 HydrophobicContact CB-CD1 4.14Å; Q943-L1098 HydrophobicContact CB-CD2 4.36Å |
| 944 | H | 91.8 | Very high | 87 | Confident | 21 Ų | 21 | 26.9 Ų | 26.9 | 10% | 0.097 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -77.2 | -49.6 | 178.8 | 168.7 | 54.6 | 0 | 0 | 0 | 109.6 | D942 A946 H947 E948 I1084 F1086 | D942-H944 PolarHBondContact O-N 2.86Å; D942-H944 WeakPolarHBondContact OD1-CA 3.48Å; D942-H944 WeakPolarHBondContact OD1-CB 3.43Å; D942-H944 PolarHBondContact OD1-N 3.12Å; H944-A946 VanDerWaalsContact C-N 3.33Å; H944-A946 PolarHBondContact O-N 2.89Å; H944-H947 PolarHBondContact O-N 3.27Å; H944-E948 IonicContact CE1-OE1 2.65Å; H944-E948 PolarHBondContact CE1-OE1 3.03Å; H944-E948 IonicContact NE2-OE1 2.7Å; H944-E948 WeakPolarHBondContact O-CB 3.47Å; H944-E948 WeakPolarHBondContact O-CG 3.29Å; H944-E948 PolarHBondContact O-N 3.36Å; H944-I1084 WeakPolarHBondContact CB-O 3.45Å; H944-I1084 PolarHBondContact ND1-O 2.86Å; H944-F1086 HydrophobicContact CB-CD1 4.36Å; H944-F1086 HydrophobicContact CB-CE1 3.92Å; H944-F1086 HydrophobicContact CB-CZ 4.09Å; H944-F1086 AromaticContact CD2-CE2 4Å; H944-F1086 AromaticContact CD2-CZ 3.88Å |
| 945 | A | 91.6 | Very high | 89 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.8 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D942 R949 C1111 | D942-A945 HydrophobicContact CB-CB 3.76Å; D942-A945 PolarHBondContact O-N 3.33Å; D942-A945 PolarHBondContact OD1-N 2.86Å; A945-R949 PolarHBondContact O-N 3.27Å; A945-C1111 HydrophobicContact CB-CB 3.86Å; A945-C1111 WeakPolarHBondContact O-CB 3.5Å |
| 946 | A | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.1 | -48.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V941 D942 H944 E948 R949 V950 L1098 L1102 | V941-A946 HydrophobicContact CG1-CB 3.64Å; D942-A946 VanDerWaalsContact O-CB 3.29Å; D942-A946 WeakPolarHBondContact O-CB 3.45Å; D942-A946 PolarHBondContact O-N 2.9Å; H944-A946 VanDerWaalsContact C-N 3.33Å; H944-A946 PolarHBondContact O-N 2.89Å; A946-E948 VanDerWaalsContact C-N 3.35Å; A946-E948 PolarHBondContact O-N 2.87Å; A946-R949 PolarHBondContact O-N 3.15Å; A946-V950 PolarHBondContact O-N 3.43Å; A946-L1098 HydrophobicContact CB-CD1 4.26Å; A946-L1098 HydrophobicContact CB-CD2 4.37Å; A946-L1098 HydrophobicContact CB-CG 4.31Å; A946-L1102 HydrophobicContact CB-CD1 4.17Å; A946-L1102 HydrophobicContact CB-CD2 3.88Å |
| 947 | H | 94.1 | Very high | 91.2 | Very high | 44 Ų | 44 | 26.5 Ų | 26.5 | 20% | 0.204 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.5 | -33.4 | 179.6 | -169.9 | -171.9 | 0 | 0 | 0 | 111.5 | Q943 H944 R949 V950 R951 A1083 I1084 L1098 | Q943-H947 WeakPolarHBondContact O-CB 3.24Å; Q943-H947 PolarHBondContact O-N 2.8Å; H944-H947 PolarHBondContact O-N 3.27Å; H947-R949 PolarHBondContact O-N 3.46Å; H947-V950 PolarHBondContact O-N 3.26Å; H947-R951 WeakPolarHBondContact O-CB 3.37Å; H947-R951 PolarHBondContact O-N 3.46Å; H947-A1083 HydrophobicContact CB-CB 4.34Å; H947-I1084 HydrophobicContact CB-CB 4.28Å; H947-I1084 HydrophobicContact CB-CD1 4.24Å; H947-I1084 VanDerWaalsContact ND1-CD1 3.3Å; H947-I1084 WeakPolarHBondContact ND1-CD1 3.42Å; H947-I1084 WeakPolarHBondContact ND1-CG1 3.46Å; H947-I1084 PolarHBondContact ND1-N 2.78Å; H947-L1098 HydrophobicContact CB-CD1 3.78Å; H947-L1098 HydrophobicContact CB-CD2 4.47Å |
| 948 | E | 93.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.8 | -41.2 | 167.1 | -81.4 | -162.7 | 156.4 | 0 | 0 | 112.1 | H944 A946 L952 C1080 A1083 C1111 A1112 H1113 | H944-E948 IonicContact CE1-OE1 2.65Å; H944-E948 PolarHBondContact CE1-OE1 3.03Å; H944-E948 IonicContact NE2-OE1 2.7Å; H944-E948 WeakPolarHBondContact O-CB 3.47Å; H944-E948 WeakPolarHBondContact O-CG 3.29Å; H944-E948 PolarHBondContact O-N 3.36Å; A946-E948 VanDerWaalsContact C-N 3.35Å; A946-E948 PolarHBondContact O-N 2.87Å; E948-L952 VanDerWaalsContact O-CB 3.28Å; E948-L952 WeakPolarHBondContact O-CB 3.4Å; E948-L952 PolarHBondContact O-N 3.37Å; E948-C1080 WeakPolarHBondContact OE1-CA 3.27Å; E948-C1080 PolarHBondContact OE1-SG 2.77Å; E948-C1080 VanDerWaalsContact OE1-SG 3.38Å; E948-A1083 HydrophobicContact CB-CB 4.45Å; E948-A1083 HydrophobicContact CG-CB 3.76Å; E948-C1111 HydrophobicContact CB-CB 4.04Å; E948-C1111 WeakPolarHBondContact OE2-CB 3.04Å; E948-C1111 PolarHBondContact OE2-SG 3.41Å; E948-A1112 HydrophobicContact CB-CB 4.35Å; E948-H1113 IonicContact OE1-CE1 3.75Å; E948-H1113 PolarHBondContact OE1-CE1 2.82Å; E948-H1113 IonicContact OE1-ND1 3.92Å; E948-H1113 PolarHBondContact OE1-ND1 2.79Å; E948-H1113 IonicContact OE2-CE1 2.75Å; E948-H1113 IonicContact OE2-ND1 3.88Å; E948-H1113 PolarHBondContact OE2-ND1 3.46Å |
| 949 | R | 93.6 | Very high | 91.7 | Very high | 29 Ų | 29 | 30.8 Ų | 30.8 | 11% | 0.109 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.6 | -48.4 | -178.6 | -172.4 | 55.6 | -173.3 | -176.2 | 18.3 | 112.6 | A945 A946 H947 R951 L952 E953 L1102 L1107 Q1110 | A945-R949 PolarHBondContact O-N 3.27Å; A946-R949 PolarHBondContact O-N 3.15Å; H947-R949 PolarHBondContact O-N 3.46Å; R949-R951 VanDerWaalsContact C-N 3.32Å; R949-R951 PolarHBondContact O-N 2.73Å; R949-L952 PolarHBondContact O-N 3.27Å; R949-E953 IonicContact CZ-OE1 2.89Å; R949-E953 IonicContact NE-OE1 3.73Å; R949-E953 PolarHBondContact NE-OE1 3.26Å; R949-E953 IonicContact NH2-OE1 3.57Å; R949-E953 PolarHBondContact NH2-OE1 3.02Å; R949-E953 PolarHBondContact O-N 2.85Å; R949-L1102 HydrophobicContact CB-CD1 4.16Å; R949-L1102 HydrophobicContact CG-CD1 4.44Å; R949-L1107 PolarHBondContact NE-O 3.13Å; R949-Q1110 WeakPolarHBondContact CB-O 3.41Å; R949-Q1110 WeakPolarHBondContact CD-O 3.31Å; R949-Q1110 VanDerWaalsContact CG-O 3.27Å; R949-Q1110 WeakPolarHBondContact CG-O 3.42Å |
| 950 | V | 93.5 | Very high | 91.7 | Very high | 10 Ų | 10 | 34 Ų | 34 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.9 | -49.5 | 176.1 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | A946 H947 L952 E953 N954 L1098 L1102 | A946-V950 PolarHBondContact O-N 3.43Å; H947-V950 PolarHBondContact O-N 3.26Å; V950-L952 VanDerWaalsContact C-N 3.35Å; V950-L952 PolarHBondContact O-N 3.44Å; V950-E953 PolarHBondContact O-N 2.85Å; V950-N954 PolarHBondContact O-N 3.29Å; V950-N954 PolarHBondContact O-OD1 2.95Å; V950-L1098 HydrophobicContact CG2-CD1 4.37Å; V950-L1102 HydrophobicContact CG2-CB 4.23Å; V950-L1102 HydrophobicContact CG2-CD1 4.32Å |
| 951 | R | 93.6 | Very high | 91.3 | Very high | 91 Ų | 91 | 35.4 Ų | 35.4 | 34% | 0.343 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.7 | -35.8 | -179.3 | -170.7 | 175.4 | 173 | 95.7 | 18.6 | 112.5 | H947 R949 L955 L1078 A1079 G1082 | H947-R951 WeakPolarHBondContact O-CB 3.37Å; H947-R951 PolarHBondContact O-N 3.46Å; R949-R951 VanDerWaalsContact C-N 3.32Å; R949-R951 PolarHBondContact O-N 2.73Å; R951-L955 HydrophobicContact CG-CD1 4.02Å; R951-L955 HydrophobicContact CG-CG 4.44Å; R951-L955 VanDerWaalsContact O-CB 3.29Å; R951-L955 WeakPolarHBondContact O-CB 3.3Å; R951-L955 WeakPolarHBondContact O-CD1 3.45Å; R951-L955 WeakPolarHBondContact O-CG 3.4Å; R951-L955 PolarHBondContact O-N 3.31Å; R951-L1078 PolarHBondContact NE-O 2.65Å; R951-A1079 HydrophobicContact CB-CB 4.24Å; R951-A1079 WeakPolarHBondContact CD-O 3.39Å; R951-A1079 HydrophobicContact CG-CB 4.21Å; R951-G1082 PolarHBondContact NH1-O 3.37Å |
| 952 | L | 92.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -47.2 | 174 | 175.3 | 60.7 | 0 | 0 | 0 | 111.9 | E948 R949 V950 N954 L955 V956 L1072 L1075 A1076 A1079 A1112 | E948-L952 VanDerWaalsContact O-CB 3.28Å; E948-L952 WeakPolarHBondContact O-CB 3.4Å; E948-L952 PolarHBondContact O-N 3.37Å; R949-L952 PolarHBondContact O-N 3.27Å; V950-L952 VanDerWaalsContact C-N 3.35Å; V950-L952 PolarHBondContact O-N 3.44Å; L952-N954 PolarHBondContact O-N 3.33Å; L952-L955 PolarHBondContact O-N 2.8Å; L952-V956 HydrophobicContact CD1-CG2 4.02Å; L952-V956 HydrophobicContact CG-CG2 4.44Å; L952-V956 VanDerWaalsContact O-CG2 3.31Å; L952-V956 WeakPolarHBondContact O-CG2 3.46Å; L952-V956 PolarHBondContact O-N 3.22Å; L952-L1072 HydrophobicContact CD1-CD1 4.19Å; L952-L1072 HydrophobicContact CD2-CD1 4.32Å; L952-L1075 HydrophobicContact CD1-CB 3.84Å; L952-A1076 HydrophobicContact CD1-CB 4.42Å; L952-A1079 HydrophobicContact CB-CB 3.96Å; L952-A1112 HydrophobicContact CB-CB 4.27Å; L952-A1112 HydrophobicContact CD2-CB 3.73Å |
| 953 | E | 91.8 | Very high | 90.1 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.4 | -36.7 | -177.9 | -69.9 | -165.7 | -162.6 | 0 | 0 | 112.3 | R949 V950 V956 A957 C1105 Q1106 L1107 | R949-E953 IonicContact CZ-OE1 2.89Å; R949-E953 IonicContact NE-OE1 3.73Å; R949-E953 PolarHBondContact NE-OE1 3.26Å; R949-E953 IonicContact NH2-OE1 3.57Å; R949-E953 PolarHBondContact NH2-OE1 3.02Å; R949-E953 PolarHBondContact O-N 2.85Å; V950-E953 PolarHBondContact O-N 2.85Å; E953-V956 PolarHBondContact O-N 2.89Å; E953-A957 PolarHBondContact O-N 2.94Å; E953-C1105 WeakPolarHBondContact OE1-CB 3.2Å; E953-C1105 WeakPolarHBondContact OE2-CA 3.43Å; E953-C1105 WeakPolarHBondContact OE2-CB 3.26Å; E953-Q1106 VanDerWaalsContact CD-N 3.3Å; E953-Q1106 PolarHBondContact OE1-N 2.87Å; E953-Q1106 VanDerWaalsContact OE1-N 3.08Å; E953-Q1106 PolarHBondContact OE2-N 3.03Å; E953-L1107 PolarHBondContact OE1-N 3.11Å |
| 954 | N | 92 | Very high | 89.3 | Confident | 87 Ų | 87 | 44.2 Ų | 44.2 | 47% | 0.465 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.3 | -52.6 | 170.4 | -67.1 | 8.4 | 0 | 0 | 0 | 111 | V950 L952 V956 A957 D958 | V950-N954 PolarHBondContact O-N 3.29Å; V950-N954 PolarHBondContact O-OD1 2.95Å; L952-N954 PolarHBondContact O-N 3.33Å; N954-V956 PolarHBondContact O-N 3.49Å; N954-V956 VanDerWaalsContact O-N 3.16Å; N954-A957 WeakPolarHBondContact O-CA 3.46Å; N954-A957 WeakPolarHBondContact O-CB 3.41Å; N954-A957 PolarHBondContact O-N 3.37Å; N954-D958 WeakPolarHBondContact O-CB 3.48Å; N954-D958 PolarHBondContact O-N 3.33Å |
| 955 | L | 91.4 | Very high | 88.4 | Confident | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -27.7 | 178 | -75.3 | 172 | 0 | 0 | 0 | 113.5 | R951 L952 S959 L1075 L1078 A1079 | R951-L955 HydrophobicContact CG-CD1 4.02Å; R951-L955 HydrophobicContact CG-CG 4.44Å; R951-L955 VanDerWaalsContact O-CB 3.29Å; R951-L955 WeakPolarHBondContact O-CB 3.3Å; R951-L955 WeakPolarHBondContact O-CD1 3.45Å; R951-L955 WeakPolarHBondContact O-CG 3.4Å; R951-L955 PolarHBondContact O-N 3.31Å; L952-L955 PolarHBondContact O-N 2.8Å; L955-S959 WeakPolarHBondContact O-CB 3.45Å; L955-S959 PolarHBondContact O-N 3.49Å; L955-L1075 HydrophobicContact CB-CD2 4.28Å; L955-L1078 HydrophobicContact CD1-CB 3.95Å; L955-A1079 HydrophobicContact CD1-CB 4.19Å |
| 956 | V | 90.3 | Very high | 87.5 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.9 | -46 | 170.9 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | L952 E953 N954 S959 Y960 L1067 L1075 | L952-V956 HydrophobicContact CD1-CG2 4.02Å; L952-V956 HydrophobicContact CG-CG2 4.44Å; L952-V956 VanDerWaalsContact O-CG2 3.31Å; L952-V956 WeakPolarHBondContact O-CG2 3.46Å; L952-V956 PolarHBondContact O-N 3.22Å; E953-V956 PolarHBondContact O-N 2.89Å; N954-V956 PolarHBondContact O-N 3.49Å; N954-V956 VanDerWaalsContact O-N 3.16Å; V956-S959 PolarHBondContact O-N 3.2Å; V956-S959 PolarHBondContact O-OG 3.35Å; V956-Y960 HydrophobicContact CG1-CE2 4.37Å; V956-Y960 VanDerWaalsContact O-CD2 3.3Å; V956-Y960 WeakPolarHBondContact O-CD2 3.49Å; V956-L1067 HydrophobicContact CG1-CD2 4.12Å; V956-L1067 HydrophobicContact CG2-CD2 3.82Å; V956-L1075 HydrophobicContact CB-CD1 4.48Å; V956-L1075 HydrophobicContact CG2-CD1 3.72Å |
| 957 | A | 87.9 | Confident | 86.1 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E953 N954 S959 Y960 | E953-A957 PolarHBondContact O-N 2.94Å; N954-A957 WeakPolarHBondContact O-CA 3.46Å; N954-A957 WeakPolarHBondContact O-CB 3.41Å; N954-A957 PolarHBondContact O-N 3.37Å; A957-S959 PolarHBondContact O-N 3.33Å; A957-Y960 PolarHBondContact O-N 2.91Å |
| 958 | D | 89.1 | Confident | 84.9 | Confident | 117 Ų | 117 | 57.8 Ų | 57.8 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.4 | -22 | 178.4 | -58.7 | -28.6 | 0 | 0 | 0 | 112.6 | N954 Y960 | N954-D958 WeakPolarHBondContact O-CB 3.48Å; N954-D958 PolarHBondContact O-N 3.33Å; D958-Y960 VanDerWaalsContact C-N 3.26Å; D958-Y960 PolarHBondContact O-N 2.94Å |
| 959 | S | 88.1 | Confident | 83.9 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 11% | 0.112 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -4.8 | 177.9 | 75.6 | 0 | 0 | 0 | 0 | 114.7 | L955 V956 A957 L972 C973 | L955-S959 WeakPolarHBondContact O-CB 3.45Å; L955-S959 PolarHBondContact O-N 3.49Å; V956-S959 PolarHBondContact O-N 3.2Å; V956-S959 PolarHBondContact O-OG 3.35Å; A957-S959 PolarHBondContact O-N 3.33Å; S959-L972 WeakPolarHBondContact O-CA 3.21Å; S959-C973 VanDerWaalsContact C-SG 3.55Å; S959-C973 PolarHBondContact O-N 3.16Å; S959-C973 PolarHBondContact O-SG 3.29Å; S959-C973 VanDerWaalsContact O-SG 3.38Å |
| 960 | Y | 87.9 | Confident | 83.3 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.4 | -179.6 | -77.4 | -78 | 0 | 0 | 0 | 113.3 | V956 A957 D958 K970 R971 L972 L1067 | V956-Y960 HydrophobicContact CG1-CE2 4.37Å; V956-Y960 VanDerWaalsContact O-CD2 3.3Å; V956-Y960 WeakPolarHBondContact O-CD2 3.49Å; A957-Y960 PolarHBondContact O-N 2.91Å; D958-Y960 VanDerWaalsContact C-N 3.26Å; D958-Y960 PolarHBondContact O-N 2.94Å; Y960-K970 HydrophobicContact CD1-CB 3.97Å; Y960-K970 HydrophobicContact CG-CB 4.42Å; Y960-R971 WeakPolarHBondContact CA-O 3.45Å; Y960-L972 HydrophobicContact CD1-CD2 3.92Å; Y960-L972 HydrophobicContact CD2-CD2 4.35Å; Y960-L972 HydrophobicContact CE1-CD2 3.58Å; Y960-L972 HydrophobicContact CE1-CG 4.08Å; Y960-L972 HydrophobicContact CE2-CD2 4.03Å; Y960-L972 HydrophobicContact CG-CD2 4.3Å; Y960-L1067 HydrophobicContact CE2-CD1 4.12Å; Y960-L1067 WeakPolarHBondContact OH-CD1 3.3Å |
| 961 | E | 85.3 | Confident | 82.9 | Confident | 65 Ų | 65 | 70 Ų | 70 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 153 | 168.7 | 59.4 | -176.1 | -175.7 | 0 | 0 | 110.9 | K970 R971 C973 | E961-K970 CarbonylContact O-C 3.37Å; E961-K970 WeakPolarHBondContact O-CA 3.47Å; E961-R971 HydrophobicContact CG-CG 3.7Å; E961-R971 PolarHBondContact N-O 3.28Å; E961-R971 PolarHBondContact O-N 2.93Å; E961-R971 IonicContact OE1-CZ 3.61Å; E961-R971 IonicContact OE1-NE 2.71Å; E961-R971 PolarHBondContact OE1-NE 3.44Å; E961-R971 IonicContact OE1-NH2 2.7Å; E961-R971 PolarHBondContact OE1-NH2 3.4Å; E961-R971 IonicContact OE2-NH2 3.49Å; E961-C973 PolarHBondContact N-SG 2.97Å |
| 962 | D | 82.8 | Confident | 82.6 | Confident | 102 Ų | 102 | 65.8 Ų | 65.8 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 133.9 | 172.1 | -61.9 | -50.6 | 0 | 0 | 0 | 109.7 | P964 K970 | D962-P964 VanDerWaalsContact O-CD 3.32Å; D962-P964 WeakPolarHBondContact O-CD 3.49Å; D962-K970 WeakPolarHBondContact OD1-CE 3.4Å; D962-K970 WeakPolarHBondContact OD1-CG 3.47Å; D962-K970 IonicContact OD1-NZ 3.97Å; D962-K970 PolarHBondContact OD1-NZ 2.94Å; D962-K970 IonicContact OD2-NZ 2.66Å; D962-K970 PolarHBondContact OD2-NZ 3.23Å |
| 963 | D | 77.8 | Confident | 82.4 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 8% | 0.075 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 116 | -175 | -170 | 30.1 | 0 | 0 | 0 | 110.8 | D965 A966 K969 R971 R1001 | D963-D965 PolarHBondContact O-N 3.18Å; D963-A966 HydrophobicContact CB-CB 4.46Å; D963-A966 CarbonylContact O-C 3.5Å; D963-A966 PolarHBondContact O-N 2.76Å; D963-K969 PolarHBondContact N-O 3Å; D963-R971 HydrophobicContact CB-CG 4.28Å; D963-R971 WeakPolarHBondContact OD1-CD 3.5Å; D963-R971 IonicContact OD1-CZ 2.73Å; D963-R971 IonicContact OD1-NE 2.72Å; D963-R971 IonicContact OD1-NH1 3.16Å; D963-R971 PolarHBondContact OD1-NH1 3.14Å; D963-R1001 IonicContact OD1-CZ 3.78Å; D963-R1001 IonicContact OD1-NE 2.76Å; D963-R1001 PolarHBondContact OD1-NE 3.49Å; D963-R1001 VanDerWaalsContact OD1-NE 3.16Å; D963-R1001 IonicContact OD1-NH2 2.71Å; D963-R1001 PolarHBondContact OD1-NH2 2.87Å; D963-R1001 IonicContact OD2-CZ 3.61Å; D963-R1001 IonicContact OD2-NE 2.71Å; D963-R1001 IonicContact OD2-NH2 3.35Å |
| 964 | P | 74.6 | Confident | 82.4 | Confident | 100 Ų | 100 | 67.2 Ų | 67.2 | 65% | 0.649 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.2 | -174.7 | 21.1 | -34.8 | 0 | 0 | 0 | 114.7 | D962 | D962-P964 VanDerWaalsContact O-CD 3.32Å; D962-P964 WeakPolarHBondContact O-CD 3.49Å |
| 965 | D | 72.4 | Confident | 82.4 | Confident | 120 Ų | 120 | 64.8 Ų | 64.8 | 64% | 0.642 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -6.1 | 179.3 | -55.9 | 23.3 | 0 | 0 | 0 | 112.1 | D963 R1001 | D963-D965 PolarHBondContact O-N 3.18Å; D965-R1001 IonicContact OD1-CZ 2.75Å; D965-R1001 IonicContact OD1-NH1 2.82Å; D965-R1001 IonicContact OD1-NH2 3.8Å; D965-R1001 PolarHBondContact OD1-NH2 3.28Å; D965-R1001 IonicContact OD2-CZ 2.62Å; D965-R1001 VanDerWaalsContact OD2-CZ 3.25Å; D965-R1001 IonicContact OD2-NH1 3.15Å; D965-R1001 PolarHBondContact OD2-NH1 2.7Å; D965-R1001 IonicContact OD2-NH2 2.73Å; D965-R1001 PolarHBondContact OD2-NH2 3Å |
| 966 | A | 72.9 | Confident | 82.5 | Confident | 25 Ų | 25 | 67 Ų | 67 | 21% | 0.207 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -150.7 | 75.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113 | D963 G968 K969 | D963-A966 HydrophobicContact CB-CB 4.46Å; D963-A966 CarbonylContact O-C 3.5Å; D963-A966 PolarHBondContact O-N 2.76Å; A966-G968 PolarHBondContact O-N 2.91Å; A966-K969 HydrophobicContact CB-CB 4.25Å; A966-K969 HydrophobicContact CB-CD 3.99Å; A966-K969 HydrophobicContact CB-CG 4.36Å; A966-K969 WeakPolarHBondContact O-CB 3.36Å; A966-K969 PolarHBondContact O-N 2.98Å |
| 967 | S | 64.3 | Low | 82.4 | Confident | 130 Ų | 130 | 66.1 Ų | 66.1 | 91% | 0.909 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.9 | 122.1 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 968 | G | 68.7 | Low | 82.1 | Confident | 75 Ų | 75 | 70 Ų | 70 | 77% | 0.773 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | -2.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | A966 | A966-G968 PolarHBondContact O-N 2.91Š|
| 969 | K | 72.4 | Confident | 82 | Confident | 135 Ų | 135 | 69.8 Ų | 69.8 | 59% | 0.587 | 41% | 0.405 | S | S | * | . | trans | -99.8 | 131.5 | 169.3 | -65.9 | -176.4 | -173 | 164.2 | 0 | 110.7 | D963 A966 | D963-K969 PolarHBondContact N-O 3Å; A966-K969 HydrophobicContact CB-CB 4.25Å; A966-K969 HydrophobicContact CB-CD 3.99Å; A966-K969 HydrophobicContact CB-CG 4.36Å; A966-K969 WeakPolarHBondContact O-CB 3.36Å; A966-K969 PolarHBondContact O-N 2.98Å | ||
| 970 | K | 80.4 | Confident | 82 | Confident | 119 Ų | 119 | 72 Ų | 72 | 52% | 0.517 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 141.9 | 171.4 | -73 | -177.6 | 179.7 | -67.5 | 0 | 111.1 | Y960 E961 D962 | Y960-K970 HydrophobicContact CD1-CB 3.97Å; Y960-K970 HydrophobicContact CG-CB 4.42Å; E961-K970 CarbonylContact O-C 3.37Å; E961-K970 WeakPolarHBondContact O-CA 3.47Å; D962-K970 WeakPolarHBondContact OD1-CE 3.4Å; D962-K970 WeakPolarHBondContact OD1-CG 3.47Å; D962-K970 IonicContact OD1-NZ 3.97Å; D962-K970 PolarHBondContact OD1-NZ 2.94Å; D962-K970 IonicContact OD2-NZ 2.66Å; D962-K970 PolarHBondContact OD2-NZ 3.23Å |
| 971 | R | 84.4 | Confident | 82.1 | Confident | 42 Ų | 42 | 70 Ų | 70 | 16% | 0.158 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 159.1 | 173.9 | 67 | 177 | -161.5 | -154.2 | 4.4 | 110.3 | Y960 E961 D963 | Y960-R971 WeakPolarHBondContact CA-O 3.45Å; E961-R971 HydrophobicContact CG-CG 3.7Å; E961-R971 PolarHBondContact N-O 3.28Å; E961-R971 PolarHBondContact O-N 2.93Å; E961-R971 IonicContact OE1-CZ 3.61Å; E961-R971 IonicContact OE1-NE 2.71Å; E961-R971 PolarHBondContact OE1-NE 3.44Å; E961-R971 IonicContact OE1-NH2 2.7Å; E961-R971 PolarHBondContact OE1-NH2 3.4Å; E961-R971 IonicContact OE2-NH2 3.49Å; D963-R971 HydrophobicContact CB-CG 4.28Å; D963-R971 WeakPolarHBondContact OD1-CD 3.5Å; D963-R971 IonicContact OD1-CZ 2.73Å; D963-R971 IonicContact OD1-NE 2.72Å; D963-R971 IonicContact OD1-NH1 3.16Å; D963-R971 PolarHBondContact OD1-NH1 3.14Å |
| 972 | L | 88.3 | Confident | 82.3 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131.3 | 174.4 | -68 | 177 | 0 | 0 | 0 | 111.2 | S959 Y960 S974 N1002 G1004 L1067 V1071 | S959-L972 WeakPolarHBondContact O-CA 3.21Å; Y960-L972 HydrophobicContact CD1-CD2 3.92Å; Y960-L972 HydrophobicContact CD2-CD2 4.35Å; Y960-L972 HydrophobicContact CE1-CD2 3.58Å; Y960-L972 HydrophobicContact CE1-CG 4.08Å; Y960-L972 HydrophobicContact CE2-CD2 4.03Å; Y960-L972 HydrophobicContact CG-CD2 4.3Å; L972-S974 PolarHBondContact O-N 3.48Å; L972-N1002 PolarHBondContact N-O 3.01Å; L972-G1004 WeakPolarHBondContact O-CA 3.44Å; L972-L1067 HydrophobicContact CD1-CD1 4.38Å; L972-L1067 HydrophobicContact CD2-CD1 3.76Å; L972-V1071 HydrophobicContact CD1-CG1 4.41Å; L972-V1071 HydrophobicContact CD1-CG2 4.14Å |
| 973 | C | 88.5 | Confident | 82.7 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 13% | 0.128 | 38% | 0.381 | C | S | . | . | trans | -55.2 | 131.7 | 173.4 | -60.7 | 0 | 0 | 0 | 0 | 110 | S959 E961 P1023 L1024 | S959-C973 VanDerWaalsContact C-SG 3.55Å; S959-C973 PolarHBondContact O-N 3.16Å; S959-C973 PolarHBondContact O-SG 3.29Å; S959-C973 VanDerWaalsContact O-SG 3.38Å; E961-C973 PolarHBondContact N-SG 2.97Å; C973-P1023 CarbonylContact O-C 3.57Å; C973-P1023 WeakPolarHBondContact O-CA 3.36Å; C973-L1024 HydrophobicContact CB-CB 4.12Å; C973-L1024 HydrophobicContact CB-CD2 4.27Å; C973-L1024 PolarHBondContact O-N 3.38Å | ||
| 974 | S | 91.6 | Very high | 83.2 | Confident | 45 Ų | 45 | 68.2 Ų | 68.2 | 32% | 0.315 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151.3 | -173 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | L972 G1004 V1022 | L972-S974 PolarHBondContact O-N 3.48Å; S974-G1004 VanDerWaalsContact CB-O 3.3Å; S974-G1004 WeakPolarHBondContact CB-O 3.31Å; S974-V1022 CarbonylContact C-O 3.52Å; S974-V1022 VanDerWaalsContact CA-O 3.3Å; S974-V1022 WeakPolarHBondContact CA-O 3.23Å |
| 975 | S | 92.3 | Very high | 83.8 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 25% | 0.245 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 141.8 | 177.8 | -170.9 | 0 | 0 | 0 | 0 | 110.5 | K1021 V1022 | S975-K1021 CarbonylContact O-C 3.53Å; S975-K1021 VanDerWaalsContact O-CA 3.25Å; S975-K1021 WeakPolarHBondContact O-CA 3.44Å; S975-V1022 PolarHBondContact N-O 3.28Å; S975-V1022 PolarHBondContact O-N 2.88Å |
| 976 | T | 91.7 | Very high | 84.5 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 140 | -179.3 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | L978 G1020 K1021 | T976-L978 HydrophobicContact CG2-CD2 4.33Å; T976-L978 HydrophobicContact CG2-CG 4.17Å; T976-G1020 CarbonylContact C-O 3.57Å; T976-G1020 WeakPolarHBondContact CA-O 3.29Å; T976-G1020 WeakPolarHBondContact CG2-O 3.42Å; T976-K1021 WeakPolarHBondContact OG1-CE 3.04Å |
| 977 | I | 88.6 | Confident | 84.9 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 10% | 0.097 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 129.9 | 170.2 | -56.3 | -178.7 | 0 | 0 | 0 | 109 | G1020 V1022 M1027 I1042 | I977-G1020 PolarHBondContact N-O 2.87Å; I977-V1022 HydrophobicContact CD1-CB 4.36Å; I977-V1022 HydrophobicContact CD1-CG1 3.57Å; I977-V1022 HydrophobicContact CD1-CG2 3.8Å; I977-V1022 HydrophobicContact CG1-CG1 4.36Å; I977-V1022 HydrophobicContact CG1-CG2 4.02Å; I977-M1027 HydrophobicContact CD1-SD 4.29Å; I977-M1027 HydrophobicContact CG1-SD 3.94Å; I977-I1042 HydrophobicContact CD1-CD1 4.19Å; I977-I1042 HydrophobicContact CD1-CG1 3.71Å |
| 978 | L | 82.4 | Confident | 85.8 | Confident | 147 Ų | 147 | 59 Ų | 59 | 77% | 0.77 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.8 | 174.4 | -67 | 174.9 | 0 | 0 | 0 | 110 | T976 | T976-L978 HydrophobicContact CG2-CD2 4.33Å; T976-L978 HydrophobicContact CG2-CG 4.17Å |
| 979 | P | 86.1 | Confident | 86.5 | Confident | 111 Ų | 111 | 57 Ų | 57 | 72% | 0.721 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -67.8 | 157.1 | -8.5 | 31.2 | -36.3 | 0 | 0 | 0 | 112.3 | L981 | P979-L981 PolarHBondContact O-N 2.97Å |
| 980 | P | 89 | Confident | 87.1 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 41% | 0.409 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 136.4 | 177.9 | -27.4 | 36.1 | 0 | 0 | 0 | 113.2 | G982 F1018 V1019 | P980-G982 PolarHBondContact O-N 3.27Å; P980-F1018 HydrophobicContact CB-CB 4.26Å; P980-V1019 WeakPolarHBondContact CA-O 3.17Å |
| 981 | L | 89.7 | Confident | 87.2 | Confident | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 112.1 | -170.6 | -180 | 68.5 | 0 | 0 | 0 | 111.7 | P979 I983 F1018 V1019 K1043 V1046 | P979-L981 PolarHBondContact O-N 2.97Å; L981-I983 HydrophobicContact CD2-CD1 3.9Å; L981-I983 HydrophobicContact CD2-CG1 4.21Å; L981-I983 HydrophobicContact CG-CD1 4.32Å; L981-I983 HydrophobicContact CG-CG1 4.14Å; L981-I983 PolarHBondContact O-N 3.35Å; L981-F1018 WeakPolarHBondContact O-CA 3.19Å; L981-V1019 HydrophobicContact CB-CB 4.44Å; L981-V1019 PolarHBondContact N-O 2.93Å; L981-V1019 PolarHBondContact O-N 3.27Å; L981-K1043 HydrophobicContact CD1-CB 4.04Å; L981-K1043 HydrophobicContact CD1-CD 4.04Å; L981-K1043 HydrophobicContact CD1-CG 4.04Å; L981-K1043 HydrophobicContact CD2-CB 4.28Å; L981-K1043 HydrophobicContact CD2-CG 4.35Å; L981-V1046 HydrophobicContact CD2-CB 3.93Å; L981-V1046 HydrophobicContact CD2-CG1 4.2Å; L981-V1046 HydrophobicContact CD2-CG2 4.16Å |
| 982 | G | 89.8 | Confident | 87.1 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 17% | 0.165 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 117.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P980 K1043 | P980-G982 PolarHBondContact O-N 3.27Å; G982-K1043 PolarHBondContact O-NZ 3.36Å; G982-K1043 VanDerWaalsContact O-NZ 3.09Å |
| 983 | I | 90.1 | Very high | 86.8 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 131.3 | 178.4 | -66.7 | 174.4 | 0 | 0 | 0 | 109.8 | L981 V985 Q1016 V1017 V1019 V1046 E1047 L1050 | L981-I983 HydrophobicContact CD2-CD1 3.9Å; L981-I983 HydrophobicContact CD2-CG1 4.21Å; L981-I983 HydrophobicContact CG-CD1 4.32Å; L981-I983 HydrophobicContact CG-CG1 4.14Å; L981-I983 PolarHBondContact O-N 3.35Å; I983-V985 HydrophobicContact CG2-CG1 4.2Å; I983-Q1016 WeakPolarHBondContact O-CA 3.48Å; I983-Q1016 WeakPolarHBondContact O-CG 3.41Å; I983-V1017 PolarHBondContact N-O 2.93Å; I983-V1017 PolarHBondContact O-N 2.64Å; I983-V1019 HydrophobicContact CD1-CG2 4.09Å; I983-V1046 HydrophobicContact CD1-CB 4.03Å; I983-V1046 HydrophobicContact CD1-CG1 3.51Å; I983-E1047 HydrophobicContact CD1-CG 3.84Å; I983-E1047 HydrophobicContact CG1-CG 3.93Å; I983-E1047 HydrophobicContact CG2-CG 3.9Å; I983-L1050 HydrophobicContact CD1-CD1 3.82Å; I983-L1050 HydrophobicContact CG2-CD1 4.36Å |
| 984 | N | 88.8 | Confident | 86.6 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 65% | 0.647 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 134.9 | 177.9 | -59.6 | -9.9 | 0 | 0 | 0 | 109.5 | Q1016 | N984-Q1016 PolarHBondContact OD1-NE2 3.17Å |
| 985 | V | 87.4 | Confident | 86 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | trans | -134.3 | 164.9 | -176.5 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | I983 E989 L990 L993 P1015 V1017 | I983-V985 HydrophobicContact CG2-CG1 4.2Å; V985-E989 HydrophobicContact CB-CB 4.13Å; V985-L990 HydrophobicContact CG2-CB 3.94Å; V985-L990 HydrophobicContact CG2-CD1 4.29Å; V985-L993 HydrophobicContact CG1-CD1 4.17Å; V985-P1015 HydrophobicContact CG2-CB 4.44Å; V985-P1015 PolarHBondContact N-O 2.76Å; V985-P1015 WeakPolarHBondContact O-CB 3.3Å; V985-P1015 WeakPolarHBondContact O-CG 3.34Å; V985-V1017 HydrophobicContact CG1-CG2 4.2Å; V985-V1017 HydrophobicContact CG2-CG2 3.71Å | ||
| 986 | T | 87.4 | Confident | 85.3 | Confident | 29 Ų | 29 | 58.1 Ų | 58.1 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | trans | -75.9 | 162.7 | 167.6 | 86.5 | 0 | 0 | 0 | 0 | 111.7 | P294 E988 E989 L990 | P294-T986 HydrophobicContact CB-CG2 4.48Å; P294-T986 WeakPolarHBondContact O-CB 3.45Å; P294-T986 PolarHBondContact O-OG1 2.93Å; T986-E988 PolarHBondContact O-N 2.82Å; T986-E988 PolarHBondContact OG1-N 2.86Å; T986-E989 PolarHBondContact N-OE2 3.39Å; T986-E989 VanDerWaalsContact N-OE2 3.13Å; T986-E989 PolarHBondContact O-N 2.86Å; T986-E989 VanDerWaalsContact O-N 3.15Å; T986-E989 WeakPolarHBondContact OG1-CG 3.44Å; T986-E989 PolarHBondContact OG1-N 2.79Å; T986-L990 WeakPolarHBondContact O-CB 3.32Å; T986-L990 PolarHBondContact O-N 2.84Å | ||
| 987 | E | 82.2 | Confident | 84.6 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -27.7 | 176 | -156.4 | -160.9 | 133.3 | 0 | 0 | 112.7 | P294 R991 | P294-E987 HydrophobicContact CG-CB 3.67Å; E987-R991 VanDerWaalsContact CD-NH1 3.32Å; E987-R991 WeakPolarHBondContact O-CG 3.03Å; E987-R991 PolarHBondContact O-N 3.12Å; E987-R991 PolarHBondContact O-NH1 2.68Å; E987-R991 IonicContact OE1-CZ 2.63Å; E987-R991 IonicContact OE1-NH1 3.61Å; E987-R991 PolarHBondContact OE1-NH1 2.85Å; E987-R991 IonicContact OE1-NH2 2.67Å; E987-R991 PolarHBondContact OE1-NH2 2.85Å |
| 988 | E | 81.3 | Confident | 83.9 | Confident | 51 Ų | 51 | 64 Ų | 64 | 24% | 0.238 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.6 | -41.1 | 171.8 | -58.7 | 178.8 | 160.6 | 0 | 0 | 110.7 | K295 L296 T986 R991 L992 | K295-E988 VanDerWaalsContact CG-OE1 3.29Å; K295-E988 WeakPolarHBondContact CG-OE1 3.29Å; L296-E988 WeakPolarHBondContact CD1-OE2 3.18Å; T986-E988 PolarHBondContact O-N 2.82Å; T986-E988 PolarHBondContact OG1-N 2.86Å; E988-R991 PolarHBondContact O-N 2.86Å; E988-L992 WeakPolarHBondContact O-CG 3.25Å; E988-L992 PolarHBondContact O-N 3.02Å; E988-L992 VanDerWaalsContact O-N 3.08Å |
| 989 | E | 84.1 | Confident | 83.6 | Confident | 34 Ų | 34 | 60.4 Ų | 60.4 | 16% | 0.159 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.3 | -41.7 | 178.7 | -65.2 | 174.9 | 162.3 | 0 | 0 | 110.8 | V985 T986 R991 L992 L993 T1054 R1058 | V985-E989 HydrophobicContact CB-CB 4.13Å; T986-E989 PolarHBondContact N-OE2 3.39Å; T986-E989 VanDerWaalsContact N-OE2 3.13Å; T986-E989 PolarHBondContact O-N 2.86Å; T986-E989 VanDerWaalsContact O-N 3.15Å; T986-E989 WeakPolarHBondContact OG1-CG 3.44Å; T986-E989 PolarHBondContact OG1-N 2.79Å; E989-R991 VanDerWaalsContact C-N 3.27Å; E989-R991 PolarHBondContact O-N 3.07Å; E989-L992 PolarHBondContact O-N 2.95Å; E989-L992 VanDerWaalsContact O-N 3.13Å; E989-L993 WeakPolarHBondContact O-CB 3.47Å; E989-L993 VanDerWaalsContact O-CG 3.22Å; E989-L993 WeakPolarHBondContact O-CG 3.46Å; E989-L993 PolarHBondContact O-N 2.95Å; E989-T1054 HydrophobicContact CB-CG2 4.09Å; E989-T1054 HydrophobicContact CG-CG2 3.85Å; E989-R1058 IonicContact OE1-CZ 3.58Å; E989-R1058 IonicContact OE1-NH1 2.82Å; E989-R1058 PolarHBondContact OE1-NH1 2.7Å; E989-R1058 IonicContact OE1-NH2 3.82Å; E989-R1058 PolarHBondContact OE1-NH2 2.73Å |
| 990 | L | 85.1 | Confident | 83.4 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.8 | -35.1 | 173.6 | -168.9 | 148.9 | 0 | 0 | 0 | 112.4 | V985 T986 R994 F1009 P1015 | V985-L990 HydrophobicContact CG2-CB 3.94Å; V985-L990 HydrophobicContact CG2-CD1 4.29Å; T986-L990 WeakPolarHBondContact O-CB 3.32Å; T986-L990 PolarHBondContact O-N 2.84Å; L990-R994 WeakPolarHBondContact O-CG 3.5Å; L990-R994 PolarHBondContact O-N 2.82Å; L990-F1009 HydrophobicContact CG-CD1 4.39Å; L990-P1015 HydrophobicContact CD1-CB 4Å |
| 991 | R | 81.8 | Confident | 83 | Confident | 146 Ų | 146 | 57 Ų | 57 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.5 | -47.9 | 171.3 | -75.9 | -177.6 | 179.7 | 84.7 | 1.2 | 112 | E987 E988 E989 R994 S995 | E987-R991 VanDerWaalsContact CD-NH1 3.32Å; E987-R991 WeakPolarHBondContact O-CG 3.03Å; E987-R991 PolarHBondContact O-N 3.12Å; E987-R991 PolarHBondContact O-NH1 2.68Å; E987-R991 IonicContact OE1-CZ 2.63Å; E987-R991 IonicContact OE1-NH1 3.61Å; E987-R991 PolarHBondContact OE1-NH1 2.85Å; E987-R991 IonicContact OE1-NH2 2.67Å; E987-R991 PolarHBondContact OE1-NH2 2.85Å; E988-R991 PolarHBondContact O-N 2.86Å; E989-R991 VanDerWaalsContact C-N 3.27Å; E989-R991 PolarHBondContact O-N 3.07Å; R991-R994 PolarHBondContact O-N 3.12Å; R991-S995 PolarHBondContact O-N 3.23Å; R991-S995 PolarHBondContact O-OG 2.71Å |
| 992 | L | 83 | Confident | 82.7 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -38.1 | -180 | -69.9 | 167.6 | 0 | 0 | 0 | 112.8 | E988 E989 R994 S995 S996 T1054 R1058 | E988-L992 WeakPolarHBondContact O-CG 3.25Å; E988-L992 PolarHBondContact O-N 3.02Å; E988-L992 VanDerWaalsContact O-N 3.08Å; E989-L992 PolarHBondContact O-N 2.95Å; E989-L992 VanDerWaalsContact O-N 3.13Å; L992-R994 VanDerWaalsContact C-N 3.31Å; L992-R994 PolarHBondContact O-N 3.37Å; L992-S995 PolarHBondContact O-OG 2.91Å; L992-S995 VanDerWaalsContact O-OG 3.13Å; L992-S996 PolarHBondContact O-N 3.5Å; L992-S996 PolarHBondContact O-OG 2.91Å; L992-T1054 HydrophobicContact CB-CG2 4.05Å; L992-T1054 HydrophobicContact CD1-CG2 3.8Å; L992-R1058 HydrophobicContact CD1-CG 3.68Å |
| 993 | L | 83.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.1 | -31.9 | 175.9 | -68.5 | 172.8 | 0 | 0 | 0 | 112.2 | V985 E989 S996 W1000 F1009 V1017 L1050 T1054 | V985-L993 HydrophobicContact CG1-CD1 4.17Å; E989-L993 WeakPolarHBondContact O-CB 3.47Å; E989-L993 VanDerWaalsContact O-CG 3.22Å; E989-L993 WeakPolarHBondContact O-CG 3.46Å; E989-L993 PolarHBondContact O-N 2.95Å; L993-S996 PolarHBondContact O-OG 3.18Å; L993-W1000 HydrophobicContact CB-CZ2 4.45Å; L993-W1000 HydrophobicContact CD2-CH2 3.55Å; L993-W1000 HydrophobicContact CD2-CZ2 3.33Å; L993-W1000 HydrophobicContact CG-CZ2 4.46Å; L993-W1000 PolarHBondContact O-NE1 2.88Å; L993-F1009 HydrophobicContact CB-CE1 3.77Å; L993-F1009 HydrophobicContact CB-CZ 4.07Å; L993-V1017 HydrophobicContact CD1-CG2 4.09Å; L993-L1050 HydrophobicContact CD2-CD2 4.29Å; L993-T1054 WeakPolarHBondContact CD2-OG1 3.37Å |
| 994 | R | 83.3 | Confident | 82.3 | Confident | 112 Ų | 112 | 59.1 Ų | 59.1 | 42% | 0.423 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -76.2 | -43.4 | 174.6 | -75.9 | -179.1 | -178.8 | -166.5 | 4.9 | 112.9 | L990 R991 L992 S996 Q997 F1009 S1010 | L990-R994 WeakPolarHBondContact O-CG 3.5Å; L990-R994 PolarHBondContact O-N 2.82Å; R991-R994 PolarHBondContact O-N 3.12Å; L992-R994 VanDerWaalsContact C-N 3.31Å; L992-R994 PolarHBondContact O-N 3.37Å; R994-S996 PolarHBondContact O-N 3.43Å; R994-Q997 VanDerWaalsContact O-CB 3.3Å; R994-Q997 WeakPolarHBondContact O-CB 3.38Å; R994-Q997 PolarHBondContact O-N 3.32Å; R994-Q997 VanDerWaalsContact O-N 3.14Å; R994-F1009 HydrophobicContact CB-CZ 4.41Å; R994-F1009 HydrophobicContact CG-CD1 3.8Å; R994-F1009 HydrophobicContact CG-CD2 3.88Å; R994-F1009 HydrophobicContact CG-CE1 3.66Å; R994-F1009 HydrophobicContact CG-CE2 3.74Å; R994-F1009 HydrophobicContact CG-CG 3.92Å; R994-F1009 HydrophobicContact CG-CZ 3.64Å; R994-S1010 PolarHBondContact NH2-O 2.8Å; R994-S1010 VanDerWaalsContact NH2-O 3.12Å |
| 995 | S | 80.1 | Confident | 82.3 | Confident | 92 Ų | 92 | 53.7 Ų | 53.7 | 64% | 0.643 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.8 | -26.2 | -179.3 | 62 | 0 | 0 | 0 | 0 | 113.3 | R991 L992 | R991-S995 PolarHBondContact O-N 3.23Å; R991-S995 PolarHBondContact O-OG 2.71Å; L992-S995 PolarHBondContact O-OG 2.91Å; L992-S995 VanDerWaalsContact O-OG 3.13Å |
| 996 | S | 75.8 | Confident | 82.4 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 7.1 | 176.4 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | L992 L993 R994 P998 Q999 W1000 L1057 | L992-S996 PolarHBondContact O-N 3.5Å; L992-S996 PolarHBondContact O-OG 2.91Å; L993-S996 PolarHBondContact O-OG 3.18Å; R994-S996 PolarHBondContact O-N 3.43Å; S996-P998 VanDerWaalsContact C-N 3.33Å; S996-Q999 WeakPolarHBondContact O-CB 3.46Å; S996-Q999 PolarHBondContact O-N 2.88Å; S996-W1000 WeakPolarHBondContact OG-CZ2 3.36Å; S996-L1057 WeakPolarHBondContact OG-CD1 3.49Å |
| 997 | Q | 77.5 | Confident | 82.5 | Confident | 108 Ų | 108 | 55.9 Ų | 55.9 | 51% | 0.505 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -48.7 | -40 | -169.7 | -173.1 | 171.5 | -15.3 | 0 | 0 | 116 | R994 Q999 | R994-Q997 VanDerWaalsContact O-CB 3.3Å; R994-Q997 WeakPolarHBondContact O-CB 3.38Å; R994-Q997 PolarHBondContact O-N 3.32Å; R994-Q997 VanDerWaalsContact O-N 3.14Å; Q997-Q999 PolarHBondContact O-N 3.33Å |
| 998 | P | 73.3 | Confident | 82.8 | Confident | 109 Ų | 109 | 55.2 Ų | 55.2 | 71% | 0.708 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -64.7 | -17 | 177.7 | -23.8 | 35.5 | 0 | 0 | 0 | 115.4 | S996 | S996-P998 VanDerWaalsContact C-N 3.33Š|
| 999 | Q | 76 | Confident | 83 | Confident | 72 Ų | 72 | 54.4 Ų | 54.4 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -90.3 | -21.4 | -172.9 | -61.7 | 175.7 | 8.9 | 0 | 0 | 112.7 | S996 Q997 R1001 N1002 | S996-Q999 WeakPolarHBondContact O-CB 3.46Å; S996-Q999 PolarHBondContact O-N 2.88Å; Q997-Q999 PolarHBondContact O-N 3.33Å; Q999-R1001 VanDerWaalsContact C-N 3.31Å; Q999-R1001 PolarHBondContact O-N 3.47Å; Q999-N1002 PolarHBondContact O-N 3.28Å |
| 1000 | W | 83.7 | Confident | 82.9 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 2% | 0.019 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -61.4 | -33.6 | -179.1 | -59.6 | 123 | 0 | 0 | 0 | 113.9 | L993 S996 N1002 L1003 G1004 L1005 V1007 Q1053 L1057 | L993-W1000 HydrophobicContact CB-CZ2 4.45Å; L993-W1000 HydrophobicContact CD2-CH2 3.55Å; L993-W1000 HydrophobicContact CD2-CZ2 3.33Å; L993-W1000 HydrophobicContact CG-CZ2 4.46Å; L993-W1000 PolarHBondContact O-NE1 2.88Å; S996-W1000 WeakPolarHBondContact OG-CZ2 3.36Å; W1000-N1002 VanDerWaalsContact C-N 3.3Å; W1000-N1002 PolarHBondContact O-N 3.21Å; W1000-L1003 HydrophobicContact CE3-CD1 3.89Å; W1000-L1003 HydrophobicContact CZ3-CD1 3.96Å; W1000-L1003 CarbonylContact O-C 3.59Å; W1000-L1003 WeakPolarHBondContact O-CA 3.42Å; W1000-L1003 WeakPolarHBondContact O-CB 3.32Å; W1000-L1003 PolarHBondContact O-N 3Å; W1000-G1004 PolarHBondContact O-N 3.29Å; W1000-L1005 CarbonylContact C-O 3.58Å; W1000-L1005 HydrophobicContact CB-CB 3.97Å; W1000-L1005 WeakPolarHBondContact CB-O 3.18Å; W1000-L1005 HydrophobicContact CE3-CB 4.26Å; W1000-L1005 HydrophobicContact CE3-CD1 3.52Å; W1000-L1005 HydrophobicContact CZ3-CD1 3.85Å; W1000-L1005 PolarHBondContact O-N 2.71Å; W1000-V1007 HydrophobicContact CG-CG2 4.3Å; W1000-Q1053 HydrophobicContact CH2-CB 3.55Å; W1000-Q1053 HydrophobicContact CH2-CG 4.43Å; W1000-Q1053 HydrophobicContact CZ3-CB 3.47Å; W1000-Q1053 VanDerWaalsContact CZ3-CB 3.47Å; W1000-Q1053 HydrophobicContact CZ3-CG 3.84Å; W1000-L1057 HydrophobicContact CZ2-CD1 4.46Å |
| 1001 | R | 80.6 | Confident | 82 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 37% | 0.366 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -58.1 | -40.7 | 176.7 | 176.6 | 177.3 | 168.1 | 152.9 | 2.3 | 112.2 | D963 D965 Q999 L1003 G1004 | D963-R1001 IonicContact OD1-CZ 3.78Å; D963-R1001 IonicContact OD1-NE 2.76Å; D963-R1001 PolarHBondContact OD1-NE 3.49Å; D963-R1001 VanDerWaalsContact OD1-NE 3.16Å; D963-R1001 IonicContact OD1-NH2 2.71Å; D963-R1001 PolarHBondContact OD1-NH2 2.87Å; D963-R1001 IonicContact OD2-CZ 3.61Å; D963-R1001 IonicContact OD2-NE 2.71Å; D963-R1001 IonicContact OD2-NH2 3.35Å; D965-R1001 IonicContact OD1-CZ 2.75Å; D965-R1001 IonicContact OD1-NH1 2.82Å; D965-R1001 IonicContact OD1-NH2 3.8Å; D965-R1001 PolarHBondContact OD1-NH2 3.28Å; D965-R1001 IonicContact OD2-CZ 2.62Å; D965-R1001 VanDerWaalsContact OD2-CZ 3.25Å; D965-R1001 IonicContact OD2-NH1 3.15Å; D965-R1001 PolarHBondContact OD2-NH1 2.7Å; D965-R1001 IonicContact OD2-NH2 2.73Å; D965-R1001 PolarHBondContact OD2-NH2 3Å; Q999-R1001 VanDerWaalsContact C-N 3.31Å; Q999-R1001 PolarHBondContact O-N 3.47Å; R1001-L1003 PolarHBondContact O-N 3.48Å; R1001-G1004 PolarHBondContact O-N 3.21Å; R1001-G1004 VanDerWaalsContact O-N 3.15Å |
| 1002 | N | 82.3 | Confident | 80.9 | Confident | 75 Ų | 75 | 62 Ų | 62 | 40% | 0.401 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -68 | -26.9 | 178.5 | -61.1 | -8 | 0 | 0 | 0 | 111.8 | L972 Q999 W1000 G1004 | L972-N1002 PolarHBondContact N-O 3.01Å; Q999-N1002 PolarHBondContact O-N 3.28Å; W1000-N1002 VanDerWaalsContact C-N 3.3Å; W1000-N1002 PolarHBondContact O-N 3.21Å; N1002-G1004 VanDerWaalsContact C-N 3.34Å |
| 1003 | L | 85.8 | Confident | 79.9 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -88.4 | 6.3 | 176.4 | -65.2 | -175.2 | 0 | 0 | 0 | 113.5 | W1000 R1001 L1005 Y1049 Q1053 V1063 P1068 | W1000-L1003 HydrophobicContact CE3-CD1 3.89Å; W1000-L1003 HydrophobicContact CZ3-CD1 3.96Å; W1000-L1003 CarbonylContact O-C 3.59Å; W1000-L1003 WeakPolarHBondContact O-CA 3.42Å; W1000-L1003 WeakPolarHBondContact O-CB 3.32Å; W1000-L1003 PolarHBondContact O-N 3Å; R1001-L1003 PolarHBondContact O-N 3.48Å; L1003-L1005 HydrophobicContact CB-CD1 4.49Å; L1003-L1005 PolarHBondContact O-N 2.69Å; L1003-Y1049 WeakPolarHBondContact CB-OH 3.48Å; L1003-Y1049 PolarHBondContact O-OH 2.78Å; L1003-Q1053 HydrophobicContact CD1-CG 3.87Å; L1003-V1063 HydrophobicContact CD1-CG1 4.08Å; L1003-V1063 HydrophobicContact CD2-CG1 4.33Å; L1003-P1068 HydrophobicContact CD2-CG 3.94Å |
| 1004 | G | 86.3 | Confident | 79.2 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 19.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L972 S974 W1000 R1001 N1002 V1022 | L972-G1004 WeakPolarHBondContact O-CA 3.44Å; S974-G1004 VanDerWaalsContact CB-O 3.3Å; S974-G1004 WeakPolarHBondContact CB-O 3.31Å; W1000-G1004 PolarHBondContact O-N 3.29Å; R1001-G1004 PolarHBondContact O-N 3.21Å; R1001-G1004 VanDerWaalsContact O-N 3.15Å; N1002-G1004 VanDerWaalsContact C-N 3.34Å; G1004-V1022 CarbonylContact O-C 3.53Å; G1004-V1022 VanDerWaalsContact O-CA 3.29Å; G1004-V1022 WeakPolarHBondContact O-CA 3.29Å; G1004-V1022 PolarHBondContact O-N 3.26Å |
| 1005 | L | 89.1 | Confident | 78.9 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | trans | -103.3 | 133.2 | 179.6 | -81.8 | 168.9 | 0 | 0 | 0 | 111.2 | W1000 L1003 V1007 V1019 K1021 V1022 Y1049 L1050 | W1000-L1005 CarbonylContact C-O 3.58Å; W1000-L1005 HydrophobicContact CB-CB 3.97Å; W1000-L1005 WeakPolarHBondContact CB-O 3.18Å; W1000-L1005 HydrophobicContact CE3-CB 4.26Å; W1000-L1005 HydrophobicContact CE3-CD1 3.52Å; W1000-L1005 HydrophobicContact CZ3-CD1 3.85Å; W1000-L1005 PolarHBondContact O-N 2.71Å; L1003-L1005 HydrophobicContact CB-CD1 4.49Å; L1003-L1005 PolarHBondContact O-N 2.69Å; L1005-V1007 HydrophobicContact CB-CG2 4.2Å; L1005-V1019 HydrophobicContact CD2-CG1 4.03Å; L1005-K1021 WeakPolarHBondContact CA-O 3.45Å; L1005-V1022 HydrophobicContact CD2-CG1 4.34Å; L1005-Y1049 HydrophobicContact CD1-CD1 3.7Å; L1005-Y1049 HydrophobicContact CD1-CE1 3.41Å; L1005-Y1049 VanDerWaalsContact CD1-CE1 3.41Å; L1005-Y1049 HydrophobicContact CD2-CD1 4.1Å; L1005-Y1049 HydrophobicContact CD2-CE1 4.14Å; L1005-Y1049 HydrophobicContact CG-CD1 4.09Å; L1005-Y1049 HydrophobicContact CG-CE1 3.67Å; L1005-L1050 HydrophobicContact CD1-CD2 4.14Å | ||
| 1006 | E | 89.3 | Confident | 79.2 | Confident | 87 Ų | 87 | 63.1 Ų | 63.1 | 41% | 0.407 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 120 | 165.2 | -170.3 | 177.8 | 149.2 | 0 | 0 | 109.5 | G1020 K1021 | E1006-G1020 PolarHBondContact O-N 3.47Å; E1006-K1021 HydrophobicContact CB-CB 3.62Å; E1006-K1021 HydrophobicContact CB-CD 4.35Å; E1006-K1021 HydrophobicContact CB-CG 3.79Å; E1006-K1021 PolarHBondContact N-O 3.44Å; E1006-K1021 PolarHBondContact O-N 3.18Å; E1006-K1021 IonicContact OE2-NZ 3.89Å; E1006-K1021 PolarHBondContact OE2-NZ 3.05Å |
| 1007 | V | 89.6 | Confident | 79.9 | Confident | 10 Ų | 10 | 63 Ų | 63 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 121.5 | -165.8 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | W1000 L1005 F1009 V1017 | W1000-V1007 HydrophobicContact CG-CG2 4.3Å; L1005-V1007 HydrophobicContact CB-CG2 4.2Å; V1007-F1009 HydrophobicContact CG1-CE1 4.08Å; V1007-F1009 HydrophobicContact CG1-CE2 4.42Å; V1007-F1009 HydrophobicContact CG1-CZ 3.87Å; V1007-V1017 HydrophobicContact CG1-CG1 3.28Å |
| 1008 | T | 88.1 | Confident | 80.5 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 143.5 | 178 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | F1018 | T1008-F1018 PolarHBondContact N-O 2.99Å; T1008-F1018 PolarHBondContact O-N 2.97Å; T1008-F1018 WeakPolarHBondContact OG1-CB 3.31Å; T1008-F1018 PolarHBondContact OG1-O 3.33Å |
| 1009 | F | 86.3 | Confident | 81.4 | Confident | 34 Ų | 34 | 56 Ų | 56 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.6 | -172 | -56.6 | -82.8 | 0 | 0 | 0 | 110.7 | L990 L993 R994 V1007 V1017 | L990-F1009 HydrophobicContact CG-CD1 4.39Å; L993-F1009 HydrophobicContact CB-CE1 3.77Å; L993-F1009 HydrophobicContact CB-CZ 4.07Å; R994-F1009 HydrophobicContact CB-CZ 4.41Å; R994-F1009 HydrophobicContact CG-CD1 3.8Å; R994-F1009 HydrophobicContact CG-CD2 3.88Å; R994-F1009 HydrophobicContact CG-CE1 3.66Å; R994-F1009 HydrophobicContact CG-CE2 3.74Å; R994-F1009 HydrophobicContact CG-CG 3.92Å; R994-F1009 HydrophobicContact CG-CZ 3.64Å; V1007-F1009 HydrophobicContact CG1-CE1 4.08Å; V1007-F1009 HydrophobicContact CG1-CE2 4.42Å; V1007-F1009 HydrophobicContact CG1-CZ 3.87Å; F1009-V1017 HydrophobicContact CD1-CG2 3.99Å; F1009-V1017 HydrophobicContact CE1-CG2 4.16Å |
| 1010 | S | 80.6 | Confident | 82 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 25% | 0.245 | 30% | 0.303 | C | S | . | . | trans | -60.1 | 143 | 170 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | R994 T1012 | R994-S1010 PolarHBondContact NH2-O 2.8Å; R994-S1010 VanDerWaalsContact NH2-O 3.12Å; S1010-T1012 PolarHBondContact OG-N 3.28Å; S1010-T1012 PolarHBondContact OG-O 2.95Å | ||
| 1011 | K | 67.6 | Low | 82.4 | Confident | 200 Ų | 200 | 56 Ų | 56 | 87% | 0.87 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -94.1 | -20 | 175.3 | -67.4 | -176.4 | 178.7 | 179.4 | 0 | 112.8 | ||
| 1012 | T | 58 | Low | 83 | Confident | 129 Ų | 129 | 51.4 Ų | 51.4 | 79% | 0.791 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -152.3 | 111.8 | -174.4 | 44.1 | 0 | 0 | 0 | 0 | 109.8 | S1010 | S1010-T1012 PolarHBondContact OG-N 3.28Å; S1010-T1012 PolarHBondContact OG-O 2.95Å |
| 1013 | G | 62.5 | Low | 83.6 | Confident | 75 Ų | 75 | 47.9 Ų | 47.9 | 77% | 0.773 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 142.6 | -167.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1014 | A | 66.9 | Low | 83.9 | Confident | 77 Ų | 77 | 50.8 Ų | 50.8 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -60.4 | 158.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1016 | A1014-Q1016 VanDerWaalsContact C-N 3.32Å; A1014-Q1016 PolarHBondContact O-N 2.74Å |
| 1015 | P | 78.5 | Confident | 84.1 | Confident | 57 Ų | 57 | 51 Ų | 51 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -69.1 | 86.2 | -179.2 | 29 | -36.1 | 0 | 0 | 0 | 111.8 | V985 L990 | V985-P1015 HydrophobicContact CG2-CB 4.44Å; V985-P1015 PolarHBondContact N-O 2.76Å; V985-P1015 WeakPolarHBondContact O-CB 3.3Å; V985-P1015 WeakPolarHBondContact O-CG 3.34Å; L990-P1015 HydrophobicContact CD1-CB 4Å |
| 1016 | Q | 86.5 | Confident | 84.4 | Confident | 62 Ų | 62 | 50.7 Ų | 50.7 | 29% | 0.29 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143 | 178.7 | -170.6 | 172.8 | 66.2 | 0 | 0 | 110.5 | I983 N984 A1014 F1018 | I983-Q1016 WeakPolarHBondContact O-CA 3.48Å; I983-Q1016 WeakPolarHBondContact O-CG 3.41Å; N984-Q1016 PolarHBondContact OD1-NE2 3.17Å; A1014-Q1016 VanDerWaalsContact C-N 3.32Å; A1014-Q1016 PolarHBondContact O-N 2.74Å; Q1016-F1018 HydrophobicContact CG-CE2 4.44Å; Q1016-F1018 HydrophobicContact CG-CZ 4.3Å |
| 1017 | V | 89.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 137.1 | -177.7 | 172.4 | 0 | 0 | 0 | 0 | 108.3 | I983 V985 L993 V1007 F1009 | I983-V1017 PolarHBondContact N-O 2.93Å; I983-V1017 PolarHBondContact O-N 2.64Å; V985-V1017 HydrophobicContact CG1-CG2 4.2Å; V985-V1017 HydrophobicContact CG2-CG2 3.71Å; L993-V1017 HydrophobicContact CD1-CG2 4.09Å; V1007-V1017 HydrophobicContact CG1-CG1 3.28Å; F1009-V1017 HydrophobicContact CD1-CG2 3.99Å; F1009-V1017 HydrophobicContact CE1-CG2 4.16Å |
| 1018 | F | 90.5 | Very high | 84.4 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 31% | 0.307 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114 | 179.7 | -65.5 | -83 | 0 | 0 | 0 | 109.9 | P980 L981 T1008 Q1016 | P980-F1018 HydrophobicContact CB-CB 4.26Å; L981-F1018 WeakPolarHBondContact O-CA 3.19Å; T1008-F1018 PolarHBondContact N-O 2.99Å; T1008-F1018 PolarHBondContact O-N 2.97Å; T1008-F1018 WeakPolarHBondContact OG1-CB 3.31Å; T1008-F1018 PolarHBondContact OG1-O 3.33Å; Q1016-F1018 HydrophobicContact CG-CE2 4.44Å; Q1016-F1018 HydrophobicContact CG-CZ 4.3Å |
| 1019 | V | 91.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.7 | -179.5 | -175 | 0 | 0 | 0 | 0 | 109.5 | P980 L981 I983 L1005 K1021 V1022 V1046 L1050 | P980-V1019 WeakPolarHBondContact CA-O 3.17Å; L981-V1019 HydrophobicContact CB-CB 4.44Å; L981-V1019 PolarHBondContact N-O 2.93Å; L981-V1019 PolarHBondContact O-N 3.27Å; I983-V1019 HydrophobicContact CD1-CG2 4.09Å; L1005-V1019 HydrophobicContact CD2-CG1 4.03Å; V1019-K1021 VanDerWaalsContact CG1-O 3.27Å; V1019-K1021 WeakPolarHBondContact CG1-O 3.37Å; V1019-V1022 HydrophobicContact CG1-CG1 3.7Å; V1019-V1046 HydrophobicContact CB-CG1 4.26Å; V1019-V1046 HydrophobicContact CG1-CG1 4.08Å; V1019-V1046 HydrophobicContact CG2-CG1 3.93Å; V1019-L1050 HydrophobicContact CG2-CD1 3.9Å |
| 1020 | G | 88.4 | Confident | 84.7 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -29.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | T976 I977 E1006 | T976-G1020 CarbonylContact C-O 3.57Å; T976-G1020 WeakPolarHBondContact CA-O 3.29Å; T976-G1020 WeakPolarHBondContact CG2-O 3.42Å; I977-G1020 PolarHBondContact N-O 2.87Å; E1006-G1020 PolarHBondContact O-N 3.47Å |
| 1021 | K | 92.5 | Very high | 85.1 | Confident | 65 Ų | 65 | 51.2 Ų | 51.2 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.1 | 172.2 | -59.7 | -166.3 | 176.9 | 97 | 0 | 111.9 | S975 T976 L1005 E1006 V1019 | S975-K1021 CarbonylContact O-C 3.53Å; S975-K1021 VanDerWaalsContact O-CA 3.25Å; S975-K1021 WeakPolarHBondContact O-CA 3.44Å; T976-K1021 WeakPolarHBondContact OG1-CE 3.04Å; L1005-K1021 WeakPolarHBondContact CA-O 3.45Å; E1006-K1021 HydrophobicContact CB-CB 3.62Å; E1006-K1021 HydrophobicContact CB-CD 4.35Å; E1006-K1021 HydrophobicContact CB-CG 3.79Å; E1006-K1021 PolarHBondContact N-O 3.44Å; E1006-K1021 PolarHBondContact O-N 3.18Å; E1006-K1021 IonicContact OE2-NZ 3.89Å; E1006-K1021 PolarHBondContact OE2-NZ 3.05Å; V1019-K1021 VanDerWaalsContact CG1-O 3.27Å; V1019-K1021 WeakPolarHBondContact CG1-O 3.37Å |
| 1022 | V | 93.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 163 | 180 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | S974 S975 I977 G1004 L1005 V1019 L1024 F1026 M1027 I1042 V1046 | S974-V1022 CarbonylContact C-O 3.52Å; S974-V1022 VanDerWaalsContact CA-O 3.3Å; S974-V1022 WeakPolarHBondContact CA-O 3.23Å; S975-V1022 PolarHBondContact N-O 3.28Å; S975-V1022 PolarHBondContact O-N 2.88Å; I977-V1022 HydrophobicContact CD1-CB 4.36Å; I977-V1022 HydrophobicContact CD1-CG1 3.57Å; I977-V1022 HydrophobicContact CD1-CG2 3.8Å; I977-V1022 HydrophobicContact CG1-CG1 4.36Å; I977-V1022 HydrophobicContact CG1-CG2 4.02Å; G1004-V1022 CarbonylContact O-C 3.53Å; G1004-V1022 VanDerWaalsContact O-CA 3.29Å; G1004-V1022 WeakPolarHBondContact O-CA 3.29Å; G1004-V1022 PolarHBondContact O-N 3.26Å; L1005-V1022 HydrophobicContact CD2-CG1 4.34Å; V1019-V1022 HydrophobicContact CG1-CG1 3.7Å; V1022-L1024 PolarHBondContact O-N 2.86Å; V1022-F1026 HydrophobicContact CB-CD2 4.08Å; V1022-F1026 HydrophobicContact CG2-CB 4.28Å; V1022-M1027 HydrophobicContact CG2-CG 3.98Å; V1022-M1027 HydrophobicContact CG2-SD 4.28Å; V1022-I1042 HydrophobicContact CG2-CD1 4.35Å; V1022-V1046 HydrophobicContact CG1-CG1 4.39Å; V1022-V1046 HydrophobicContact CG1-CG2 3.61Å |
| 1023 | P | 93.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51 | 133.3 | 169.2 | -28.9 | 35.3 | 0 | 0 | 0 | 113.1 | C973 C1025 F1026 Y1049 V1071 | C973-P1023 CarbonylContact O-C 3.57Å; C973-P1023 WeakPolarHBondContact O-CA 3.36Å; P1023-C1025 VanDerWaalsContact C-N 3.26Å; P1023-C1025 PolarHBondContact O-N 3.29Å; P1023-F1026 HydrophobicContact CB-CD1 4.29Å; P1023-F1026 HydrophobicContact CB-CE1 4.35Å; P1023-F1026 HydrophobicContact CB-CG 4.39Å; P1023-F1026 HydrophobicContact CG-CD2 4.45Å; P1023-F1026 HydrophobicContact CG-CE1 4.46Å; P1023-F1026 HydrophobicContact CG-CE2 4.16Å; P1023-F1026 HydrophobicContact CG-CZ 4.16Å; P1023-F1026 WeakPolarHBondContact O-CB 3.31Å; P1023-F1026 PolarHBondContact O-N 3.07Å; P1023-Y1049 HydrophobicContact CG-CD1 4.35Å; P1023-Y1049 HydrophobicContact CG-CE1 3.54Å; P1023-V1071 HydrophobicContact CB-CG2 4.47Å; P1023-V1071 HydrophobicContact CG-CG2 4.14Å |
| 1024 | L | 92 | Very high | 88.7 | Confident | 74 Ų | 74 | 39.9 Ų | 39.9 | 39% | 0.387 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -52.2 | -42.5 | -174.7 | 177.6 | 61.5 | 0 | 0 | 0 | 112.8 | C973 V1022 F1026 M1027 E1028 | C973-L1024 HydrophobicContact CB-CB 4.12Å; C973-L1024 HydrophobicContact CB-CD2 4.27Å; C973-L1024 PolarHBondContact O-N 3.38Å; V1022-L1024 PolarHBondContact O-N 2.86Å; L1024-F1026 PolarHBondContact O-N 3.22Å; L1024-F1026 VanDerWaalsContact O-N 3.08Å; L1024-M1027 WeakPolarHBondContact O-CB 3.48Å; L1024-M1027 PolarHBondContact O-N 2.94Å; L1024-E1028 PolarHBondContact O-N 2.75Å; L1024-E1028 VanDerWaalsContact O-N 3.11Å |
| 1025 | C | 91.6 | Very high | 89.7 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -20.8 | 179.3 | 62.5 | 0 | 0 | 0 | 0 | 114.2 | P1023 K1029 V1074 L1075 L1078 | P1023-C1025 VanDerWaalsContact C-N 3.26Å; P1023-C1025 PolarHBondContact O-N 3.29Å; C1025-K1029 WeakPolarHBondContact O-CB 3.29Å; C1025-K1029 PolarHBondContact O-N 2.96Å; C1025-V1074 HydrophobicContact CB-CG1 4.02Å; C1025-V1074 VanDerWaalsContact O-CG1 3.31Å; C1025-V1074 WeakPolarHBondContact O-CG1 3.26Å; C1025-L1075 HydrophobicContact CB-CD2 3.52Å; C1025-L1075 HydrophobicContact CB-CG 4.48Å; C1025-L1078 HydrophobicContact CB-CD1 4.07Å |
| 1026 | F | 93.8 | Very high | 90 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.9 | -39.4 | 173 | -66.2 | 2.2 | 0 | 0 | 0 | 111 | V1022 P1023 L1024 K1029 E1030 I1042 V1045 V1046 Y1049 T1070 V1071 V1074 | V1022-F1026 HydrophobicContact CB-CD2 4.08Å; V1022-F1026 HydrophobicContact CG2-CB 4.28Å; P1023-F1026 HydrophobicContact CB-CD1 4.29Å; P1023-F1026 HydrophobicContact CB-CE1 4.35Å; P1023-F1026 HydrophobicContact CB-CG 4.39Å; P1023-F1026 HydrophobicContact CG-CD2 4.45Å; P1023-F1026 HydrophobicContact CG-CE1 4.46Å; P1023-F1026 HydrophobicContact CG-CE2 4.16Å; P1023-F1026 HydrophobicContact CG-CZ 4.16Å; P1023-F1026 WeakPolarHBondContact O-CB 3.31Å; P1023-F1026 PolarHBondContact O-N 3.07Å; L1024-F1026 PolarHBondContact O-N 3.22Å; L1024-F1026 VanDerWaalsContact O-N 3.08Å; F1026-K1029 PolarHBondContact O-N 3.02Å; F1026-E1030 WeakPolarHBondContact O-CB 3.39Å; F1026-E1030 PolarHBondContact O-N 3.03Å; F1026-I1042 HydrophobicContact CB-CD1 3.7Å; F1026-V1045 HydrophobicContact CB-CG1 4.48Å; F1026-V1045 HydrophobicContact CD1-CG1 3.79Å; F1026-V1045 HydrophobicContact CD2-CG1 3.69Å; F1026-V1045 HydrophobicContact CE1-CG1 3.82Å; F1026-V1045 HydrophobicContact CE2-CG1 3.72Å; F1026-V1045 HydrophobicContact CG-CG1 3.74Å; F1026-V1045 HydrophobicContact CZ-CG1 3.79Å; F1026-V1046 HydrophobicContact CD2-CG2 4.09Å; F1026-V1046 HydrophobicContact CE2-CG2 4.45Å; F1026-Y1049 AromaticContact CE2-CD1 3.49Å; F1026-Y1049 HydrophobicContact CE2-CD1 3.49Å; F1026-Y1049 VanDerWaalsContact CE2-CD1 3.49Å; F1026-Y1049 HydrophobicContact CE2-CE1 4.17Å; F1026-Y1049 AromaticContact CE2-CG 3.97Å; F1026-Y1049 HydrophobicContact CE2-CG 3.97Å; F1026-Y1049 AromaticContact CZ-CD1 3.68Å; F1026-Y1049 HydrophobicContact CZ-CD1 3.68Å; F1026-Y1049 HydrophobicContact CZ-CE1 4.16Å; F1026-Y1049 AromaticContact CZ-CG 3.86Å; F1026-Y1049 HydrophobicContact CZ-CG 3.86Å; F1026-T1070 HydrophobicContact CZ-CG2 4.09Å; F1026-V1071 HydrophobicContact CE1-CG2 4.01Å; F1026-V1071 HydrophobicContact CZ-CG2 4.04Å; F1026-V1074 HydrophobicContact CD1-CB 4.28Å; F1026-V1074 HydrophobicContact CD1-CG1 4.2Å; F1026-V1074 HydrophobicContact CD1-CG2 3.88Å; F1026-V1074 HydrophobicContact CE1-CB 4.34Å; F1026-V1074 HydrophobicContact CE1-CG2 3.84Å |
| 1027 | M | 90.9 | Very high | 89.9 | Confident | 45 Ų | 45 | 48.5 Ų | 48.5 | 22% | 0.222 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.7 | -32 | 175.8 | -65.1 | -56.5 | -67.2 | 0 | 0 | 111.9 | I977 V1022 L1024 S1031 I1042 | I977-M1027 HydrophobicContact CD1-SD 4.29Å; I977-M1027 HydrophobicContact CG1-SD 3.94Å; V1022-M1027 HydrophobicContact CG2-CG 3.98Å; V1022-M1027 HydrophobicContact CG2-SD 4.28Å; L1024-M1027 WeakPolarHBondContact O-CB 3.48Å; L1024-M1027 PolarHBondContact O-N 2.94Å; M1027-S1031 VanDerWaalsContact O-CB 3.27Å; M1027-S1031 WeakPolarHBondContact O-CB 3.45Å; M1027-S1031 PolarHBondContact O-N 3.38Å; M1027-S1031 PolarHBondContact O-OG 2.81Å; M1027-I1042 HydrophobicContact SD-CD1 3.76Å; M1027-I1042 HydrophobicContact SD-CG1 4.08Å |
| 1028 | E | 89.9 | Confident | 89.9 | Confident | 78 Ų | 78 | 54.7 Ų | 54.7 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 169 | -62.1 | -176.8 | 144.2 | 0 | 0 | 111.6 | L1024 S1031 N1032 L1078 | L1024-E1028 PolarHBondContact O-N 2.75Å; L1024-E1028 VanDerWaalsContact O-N 3.11Å; E1028-S1031 PolarHBondContact O-N 2.67Å; E1028-N1032 WeakPolarHBondContact O-CB 3.42Å; E1028-N1032 PolarHBondContact O-N 2.92Å; E1028-N1032 PolarHBondContact O-ND2 3.2Å; E1028-N1032 VanDerWaalsContact O-ND2 3.11Å; E1028-L1078 HydrophobicContact CB-CD1 4.35Å |
| 1029 | K | 89.5 | Confident | 89.7 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 175.8 | -179.7 | -177.3 | 171.3 | -174.1 | 0 | 111.5 | C1025 F1026 N1032 E1033 V1041 V1045 V1074 | C1025-K1029 WeakPolarHBondContact O-CB 3.29Å; C1025-K1029 PolarHBondContact O-N 2.96Å; F1026-K1029 PolarHBondContact O-N 3.02Å; K1029-N1032 PolarHBondContact O-N 3.41Å; K1029-E1033 PolarHBondContact O-N 2.93Å; K1029-V1041 HydrophobicContact CD-CG2 4.43Å; K1029-V1041 HydrophobicContact CG-CG2 4.14Å; K1029-V1045 HydrophobicContact CD-CG2 4.36Å; K1029-V1045 VanDerWaalsContact NZ-CG2 3.27Å; K1029-V1074 HydrophobicContact CB-CG1 4.02Å; K1029-V1074 HydrophobicContact CD-CB 4.48Å; K1029-V1074 HydrophobicContact CD-CG1 4.03Å; K1029-V1074 HydrophobicContact CD-CG2 3.88Å |
| 1030 | E | 91.1 | Very high | 89.5 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.065 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.4 | -51.6 | 173.9 | -177.6 | 65.1 | -171.8 | 0 | 0 | 110.9 | F1026 N1032 E1033 L1034 S1040 V1041 I1042 | F1026-E1030 WeakPolarHBondContact O-CB 3.39Å; F1026-E1030 PolarHBondContact O-N 3.03Å; E1030-N1032 PolarHBondContact O-N 3.3Å; E1030-E1033 PolarHBondContact O-N 3.34Å; E1030-L1034 HydrophobicContact CG-CD1 3.88Å; E1030-L1034 HydrophobicContact CG-CG 4.37Å; E1030-L1034 WeakPolarHBondContact O-CB 3.44Å; E1030-L1034 WeakPolarHBondContact O-CG 3.35Å; E1030-L1034 PolarHBondContact O-N 3.22Å; E1030-S1040 VanDerWaalsContact CD-OG 3.3Å; E1030-S1040 VanDerWaalsContact OE1-CA 3.3Å; E1030-S1040 WeakPolarHBondContact OE1-CA 3.19Å; E1030-S1040 WeakPolarHBondContact OE1-CB 3.35Å; E1030-S1040 PolarHBondContact OE1-OG 3.06Å; E1030-S1040 PolarHBondContact OE2-OG 3.37Å; E1030-V1041 VanDerWaalsContact OE2-CG2 3.31Å; E1030-V1041 WeakPolarHBondContact OE2-CG2 3.4Å; E1030-V1041 PolarHBondContact OE2-N 3.1Å; E1030-I1042 HydrophobicContact CB-CB 4.42Å; E1030-I1042 HydrophobicContact CG-CB 4.21Å; E1030-I1042 PolarHBondContact OE2-N 2.95Å |
| 1031 | S | 89.1 | Confident | 89.6 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 37% | 0.371 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.4 | -24.8 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 113.5 | M1027 E1028 R1035 | M1027-S1031 VanDerWaalsContact O-CB 3.27Å; M1027-S1031 WeakPolarHBondContact O-CB 3.45Å; M1027-S1031 PolarHBondContact O-N 3.38Å; M1027-S1031 PolarHBondContact O-OG 2.81Å; E1028-S1031 PolarHBondContact O-N 2.67Å; S1031-R1035 WeakPolarHBondContact O-CB 3.42Å; S1031-R1035 WeakPolarHBondContact O-CG 3.36Å; S1031-R1035 PolarHBondContact O-N 2.8Å; S1031-R1035 PolarHBondContact O-NE 2.92Å |
| 1032 | N | 86.9 | Confident | 89.6 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 24% | 0.235 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -81 | -39.6 | 175.8 | -74.6 | -28.9 | 0 | 0 | 0 | 112.4 | E1028 K1029 E1030 R1035 R1036 L1078 | E1028-N1032 WeakPolarHBondContact O-CB 3.42Å; E1028-N1032 PolarHBondContact O-N 2.92Å; E1028-N1032 PolarHBondContact O-ND2 3.2Å; E1028-N1032 VanDerWaalsContact O-ND2 3.11Å; K1029-N1032 PolarHBondContact O-N 3.41Å; E1030-N1032 PolarHBondContact O-N 3.3Å; N1032-R1035 PolarHBondContact OD1-NH2 2.98Å; N1032-R1036 VanDerWaalsContact O-CD 3.27Å; N1032-R1036 WeakPolarHBondContact O-CD 3.47Å; N1032-R1036 VanDerWaalsContact O-CG 3.25Å; N1032-R1036 WeakPolarHBondContact O-CG 3.45Å; N1032-R1036 PolarHBondContact O-N 2.92Å; N1032-L1078 WeakPolarHBondContact ND2-CD2 3.47Å |
| 1033 | E | 87.8 | Confident | 89.5 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 13% | 0.131 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -76.8 | -37.5 | 179 | -64 | -63.2 | 100.2 | 0 | 0 | 111.8 | K1029 E1030 R1035 R1036 G1037 R1038 V1041 | K1029-E1033 PolarHBondContact O-N 2.93Å; E1030-E1033 PolarHBondContact O-N 3.34Å; E1033-R1035 PolarHBondContact O-N 2.82Å; E1033-R1036 CarbonylContact O-C 3.59Å; E1033-R1036 WeakPolarHBondContact O-CA 3.5Å; E1033-R1036 WeakPolarHBondContact O-CB 3.36Å; E1033-R1036 PolarHBondContact O-N 2.92Å; E1033-R1036 VanDerWaalsContact OE1-CD 3.3Å; E1033-R1036 WeakPolarHBondContact OE1-CD 3.33Å; E1033-R1036 IonicContact OE1-CZ 3.25Å; E1033-R1036 IonicContact OE1-NE 3.97Å; E1033-R1036 IonicContact OE1-NH1 3.84Å; E1033-R1036 PolarHBondContact OE1-NH1 2.89Å; E1033-G1037 PolarHBondContact O-N 3.12Å; E1033-R1038 HydrophobicContact CB-CB 4.24Å; E1033-R1038 WeakPolarHBondContact O-CB 3.28Å; E1033-R1038 PolarHBondContact O-N 3.38Å; E1033-R1038 VanDerWaalsContact O-N 3.08Å; E1033-R1038 IonicContact OE1-NH1 2.71Å; E1033-R1038 PolarHBondContact OE1-NH1 3.28Å; E1033-R1038 WeakPolarHBondContact OE2-CD 3.37Å; E1033-R1038 IonicContact OE2-CZ 3.7Å; E1033-R1038 IonicContact OE2-NE 3.55Å; E1033-R1038 IonicContact OE2-NH1 3.91Å; E1033-R1038 PolarHBondContact OE2-NH1 2.72Å; E1033-V1041 HydrophobicContact CB-CG2 4.36Å; E1033-V1041 HydrophobicContact CG-CG1 4.5Å; E1033-V1041 HydrophobicContact CG-CG2 4.24Å |
| 1034 | L | 88.2 | Confident | 89.3 | Confident | 93 Ų | 93 | 65.9 Ų | 65.9 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 170.9 | -69.4 | 176.3 | 0 | 0 | 0 | 111.9 | E1030 R1036 G1037 | E1030-L1034 HydrophobicContact CG-CD1 3.88Å; E1030-L1034 HydrophobicContact CG-CG 4.37Å; E1030-L1034 WeakPolarHBondContact O-CB 3.44Å; E1030-L1034 WeakPolarHBondContact O-CG 3.35Å; E1030-L1034 PolarHBondContact O-N 3.22Å; L1034-R1036 PolarHBondContact O-N 2.78Å; L1034-R1036 VanDerWaalsContact O-N 3.12Å; L1034-G1037 PolarHBondContact O-N 2.92Å |
| 1035 | R | 87.1 | Confident | 89.3 | Confident | 190 Ų | 190 | 62.8 Ų | 62.8 | 72% | 0.717 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12.8 | 172.9 | -79.1 | -173.6 | -68.3 | -174.8 | -0.8 | 114.1 | S1031 N1032 E1033 | S1031-R1035 WeakPolarHBondContact O-CB 3.42Å; S1031-R1035 WeakPolarHBondContact O-CG 3.36Å; S1031-R1035 PolarHBondContact O-N 2.8Å; S1031-R1035 PolarHBondContact O-NE 2.92Å; N1032-R1035 PolarHBondContact OD1-NH2 2.98Å; E1033-R1035 PolarHBondContact O-N 2.82Å |
| 1036 | R | 84.9 | Confident | 89.4 | Confident | 111 Ų | 111 | 62.4 Ų | 62.4 | 42% | 0.419 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 7.1 | 173.9 | -67.5 | 162.8 | 177.3 | -174.9 | -5.5 | 112.9 | N1032 E1033 L1034 R1038 H1081 | N1032-R1036 VanDerWaalsContact O-CD 3.27Å; N1032-R1036 WeakPolarHBondContact O-CD 3.47Å; N1032-R1036 VanDerWaalsContact O-CG 3.25Å; N1032-R1036 WeakPolarHBondContact O-CG 3.45Å; N1032-R1036 PolarHBondContact O-N 2.92Å; E1033-R1036 CarbonylContact O-C 3.59Å; E1033-R1036 WeakPolarHBondContact O-CA 3.5Å; E1033-R1036 WeakPolarHBondContact O-CB 3.36Å; E1033-R1036 PolarHBondContact O-N 2.92Å; E1033-R1036 VanDerWaalsContact OE1-CD 3.3Å; E1033-R1036 WeakPolarHBondContact OE1-CD 3.33Å; E1033-R1036 IonicContact OE1-CZ 3.25Å; E1033-R1036 IonicContact OE1-NE 3.97Å; E1033-R1036 IonicContact OE1-NH1 3.84Å; E1033-R1036 PolarHBondContact OE1-NH1 2.89Å; L1034-R1036 PolarHBondContact O-N 2.78Å; L1034-R1036 VanDerWaalsContact O-N 3.12Å; R1036-R1038 VanDerWaalsContact C-N 3.28Å; R1036-R1038 HydrophobicContact CB-CG 4.28Å; R1036-R1038 PolarHBondContact O-N 3.07Å; R1036-H1081 PolarHBondContact NH1-CD2 2.96Å; R1036-H1081 PolarHBondContact NH1-NE2 2.9Å; R1036-H1081 VanDerWaalsContact NH1-NE2 3.11Å; R1036-H1081 PolarHBondContact NH2-CD2 2.7Å |
| 1037 | G | 85.3 | Confident | 89.3 | Confident | 76 Ų | 76 | 65.2 Ų | 65.2 | 78% | 0.784 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 22.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1033 L1034 | E1033-G1037 PolarHBondContact O-N 3.12Å; L1034-G1037 PolarHBondContact O-N 2.92Å |
| 1038 | R | 88.4 | Confident | 89.3 | Confident | 131 Ų | 131 | 66.6 Ų | 66.6 | 49% | 0.494 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 155.5 | -179.6 | -68.1 | 175.1 | 175.1 | -178.4 | -2.7 | 111.3 | E1033 R1036 | E1033-R1038 HydrophobicContact CB-CB 4.24Å; E1033-R1038 WeakPolarHBondContact O-CB 3.28Å; E1033-R1038 PolarHBondContact O-N 3.38Å; E1033-R1038 VanDerWaalsContact O-N 3.08Å; E1033-R1038 IonicContact OE1-NH1 2.71Å; E1033-R1038 PolarHBondContact OE1-NH1 3.28Å; E1033-R1038 WeakPolarHBondContact OE2-CD 3.37Å; E1033-R1038 IonicContact OE2-CZ 3.7Å; E1033-R1038 IonicContact OE2-NE 3.55Å; E1033-R1038 IonicContact OE2-NH1 3.91Å; E1033-R1038 PolarHBondContact OE2-NH1 2.72Å; R1036-R1038 VanDerWaalsContact C-N 3.28Å; R1036-R1038 HydrophobicContact CB-CG 4.28Å; R1036-R1038 PolarHBondContact O-N 3.07Å |
| 1039 | P | 86.6 | Confident | 89.4 | Confident | 110 Ų | 110 | 62.9 Ų | 62.9 | 71% | 0.714 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 156 | 175.5 | 27.5 | -36.2 | 0 | 0 | 0 | 111.9 | V1041 | P1039-V1041 PolarHBondContact O-N 2.96Š|
| 1040 | S | 88.4 | Confident | 89.4 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 46% | 0.462 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 132.6 | 178.8 | -175.8 | 0 | 0 | 0 | 0 | 112.6 | E1030 I1042 | E1030-S1040 VanDerWaalsContact CD-OG 3.3Å; E1030-S1040 VanDerWaalsContact OE1-CA 3.3Å; E1030-S1040 WeakPolarHBondContact OE1-CA 3.19Å; E1030-S1040 WeakPolarHBondContact OE1-CB 3.35Å; E1030-S1040 PolarHBondContact OE1-OG 3.06Å; E1030-S1040 PolarHBondContact OE2-OG 3.37Å; S1040-I1042 WeakPolarHBondContact OG-CG2 3.42Å |
| 1041 | V | 91.1 | Very high | 89.3 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | trans | -111.2 | -8.9 | -179.8 | -63.8 | 0 | 0 | 0 | 0 | 113 | K1029 E1030 E1033 P1039 K1043 P1044 V1045 | K1029-V1041 HydrophobicContact CD-CG2 4.43Å; K1029-V1041 HydrophobicContact CG-CG2 4.14Å; E1030-V1041 VanDerWaalsContact OE2-CG2 3.31Å; E1030-V1041 WeakPolarHBondContact OE2-CG2 3.4Å; E1030-V1041 PolarHBondContact OE2-N 3.1Å; E1033-V1041 HydrophobicContact CB-CG2 4.36Å; E1033-V1041 HydrophobicContact CG-CG1 4.5Å; E1033-V1041 HydrophobicContact CG-CG2 4.24Å; P1039-V1041 PolarHBondContact O-N 2.96Å; V1041-K1043 VanDerWaalsContact C-N 3.35Å; V1041-K1043 PolarHBondContact O-N 3.38Å; V1041-P1044 VanDerWaalsContact O-CD 3.3Å; V1041-P1044 WeakPolarHBondContact O-CD 3.46Å; V1041-P1044 WeakPolarHBondContact O-CG 3.42Å; V1041-V1045 WeakPolarHBondContact O-CB 3.1Å; V1041-V1045 VanDerWaalsContact O-CG2 3.24Å; V1041-V1045 WeakPolarHBondContact O-CG2 3.48Å; V1041-V1045 PolarHBondContact O-N 3.47Å | ||
| 1042 | I | 91.6 | Very high | 89.3 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 9% | 0.092 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58 | -44.4 | -177.5 | -165 | 58.9 | 0 | 0 | 0 | 112.2 | I977 V1022 F1026 M1027 E1030 S1040 V1045 V1046 | I977-I1042 HydrophobicContact CD1-CD1 4.19Å; I977-I1042 HydrophobicContact CD1-CG1 3.71Å; V1022-I1042 HydrophobicContact CG2-CD1 4.35Å; F1026-I1042 HydrophobicContact CB-CD1 3.7Å; M1027-I1042 HydrophobicContact SD-CD1 3.76Å; M1027-I1042 HydrophobicContact SD-CG1 4.08Å; E1030-I1042 HydrophobicContact CB-CB 4.42Å; E1030-I1042 HydrophobicContact CG-CB 4.21Å; E1030-I1042 PolarHBondContact OE2-N 2.95Å; S1040-I1042 WeakPolarHBondContact OG-CG2 3.42Å; I1042-V1045 PolarHBondContact O-N 2.75Å; I1042-V1046 HydrophobicContact CD1-CG2 4.28Å; I1042-V1046 HydrophobicContact CG1-CG2 4.42Å; I1042-V1046 VanDerWaalsContact O-CG2 3.29Å; I1042-V1046 WeakPolarHBondContact O-CG2 3.34Å; I1042-V1046 PolarHBondContact O-N 3.39Å |
| 1043 | K | 90.3 | Very high | 89.2 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.5 | -58.2 | -178.6 | -177.9 | 165.2 | -179.1 | 154.9 | 0 | 113.4 | L981 G982 V1041 V1045 V1046 E1047 | L981-K1043 HydrophobicContact CD1-CB 4.04Å; L981-K1043 HydrophobicContact CD1-CD 4.04Å; L981-K1043 HydrophobicContact CD1-CG 4.04Å; L981-K1043 HydrophobicContact CD2-CB 4.28Å; L981-K1043 HydrophobicContact CD2-CG 4.35Å; G982-K1043 PolarHBondContact O-NZ 3.36Å; G982-K1043 VanDerWaalsContact O-NZ 3.09Å; V1041-K1043 VanDerWaalsContact C-N 3.35Å; V1041-K1043 PolarHBondContact O-N 3.38Å; K1043-V1045 VanDerWaalsContact C-N 3.26Å; K1043-V1045 PolarHBondContact O-N 2.82Å; K1043-V1046 PolarHBondContact O-N 2.92Å; K1043-E1047 WeakPolarHBondContact CE-OE1 3.34Å; K1043-E1047 HydrophobicContact CG-CG 4.48Å; K1043-E1047 IonicContact NZ-OE1 3.04Å; K1043-E1047 WeakPolarHBondContact O-CG 3.34Å; K1043-E1047 PolarHBondContact O-N 3.46Å |
| 1044 | P | 91.2 | Very high | 89.1 | Confident | 74 Ų | 74 | 62.3 Ų | 62.3 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.6 | -29.2 | 179.8 | 23.1 | -33.4 | 0 | 0 | 0 | 113.4 | V1041 E1048 | V1041-P1044 VanDerWaalsContact O-CD 3.3Å; V1041-P1044 WeakPolarHBondContact O-CD 3.46Å; V1041-P1044 WeakPolarHBondContact O-CG 3.42Å; P1044-E1048 WeakPolarHBondContact O-CB 3.06Å; P1044-E1048 PolarHBondContact O-N 3.02Å |
| 1045 | V | 92.2 | Very high | 88.9 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | F1026 K1029 V1041 I1042 K1043 E1048 Y1049 T1070 V1074 | F1026-V1045 HydrophobicContact CB-CG1 4.48Å; F1026-V1045 HydrophobicContact CD1-CG1 3.79Å; F1026-V1045 HydrophobicContact CD2-CG1 3.69Å; F1026-V1045 HydrophobicContact CE1-CG1 3.82Å; F1026-V1045 HydrophobicContact CE2-CG1 3.72Å; F1026-V1045 HydrophobicContact CG-CG1 3.74Å; F1026-V1045 HydrophobicContact CZ-CG1 3.79Å; K1029-V1045 HydrophobicContact CD-CG2 4.36Å; K1029-V1045 VanDerWaalsContact NZ-CG2 3.27Å; V1041-V1045 WeakPolarHBondContact O-CB 3.1Å; V1041-V1045 VanDerWaalsContact O-CG2 3.24Å; V1041-V1045 WeakPolarHBondContact O-CG2 3.48Å; V1041-V1045 PolarHBondContact O-N 3.47Å; I1042-V1045 PolarHBondContact O-N 2.75Å; K1043-V1045 VanDerWaalsContact C-N 3.26Å; K1043-V1045 PolarHBondContact O-N 2.82Å; V1045-E1048 PolarHBondContact O-N 2.8Å; V1045-Y1049 WeakPolarHBondContact O-CB 3.17Å; V1045-Y1049 PolarHBondContact O-N 2.82Å; V1045-T1070 HydrophobicContact CG1-CG2 4.3Å; V1045-V1074 HydrophobicContact CG1-CG2 4.15Å |
| 1046 | V | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.5 | -35.1 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | L981 I983 V1019 V1022 F1026 I1042 K1043 Y1049 L1050 | L981-V1046 HydrophobicContact CD2-CB 3.93Å; L981-V1046 HydrophobicContact CD2-CG1 4.2Å; L981-V1046 HydrophobicContact CD2-CG2 4.16Å; I983-V1046 HydrophobicContact CD1-CB 4.03Å; I983-V1046 HydrophobicContact CD1-CG1 3.51Å; V1019-V1046 HydrophobicContact CB-CG1 4.26Å; V1019-V1046 HydrophobicContact CG1-CG1 4.08Å; V1019-V1046 HydrophobicContact CG2-CG1 3.93Å; V1022-V1046 HydrophobicContact CG1-CG1 4.39Å; V1022-V1046 HydrophobicContact CG1-CG2 3.61Å; F1026-V1046 HydrophobicContact CD2-CG2 4.09Å; F1026-V1046 HydrophobicContact CE2-CG2 4.45Å; I1042-V1046 HydrophobicContact CD1-CG2 4.28Å; I1042-V1046 HydrophobicContact CG1-CG2 4.42Å; I1042-V1046 VanDerWaalsContact O-CG2 3.29Å; I1042-V1046 WeakPolarHBondContact O-CG2 3.34Å; I1042-V1046 PolarHBondContact O-N 3.39Å; K1043-V1046 PolarHBondContact O-N 2.92Å; V1046-Y1049 PolarHBondContact O-N 2.91Å; V1046-L1050 HydrophobicContact CG1-CD1 4.4Å; V1046-L1050 HydrophobicContact CG1-CG 4.39Å; V1046-L1050 WeakPolarHBondContact O-CG 3.23Å; V1046-L1050 PolarHBondContact O-N 3.01Å |
| 1047 | E | 91.4 | Very high | 88.4 | Confident | 60 Ų | 60 | 49.3 Ų | 49.3 | 28% | 0.28 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 172.8 | -72.6 | -178.2 | -178.3 | 0 | 0 | 113 | I983 K1043 R1051 | I983-E1047 HydrophobicContact CD1-CG 3.84Å; I983-E1047 HydrophobicContact CG1-CG 3.93Å; I983-E1047 HydrophobicContact CG2-CG 3.9Å; K1043-E1047 WeakPolarHBondContact CE-OE1 3.34Å; K1043-E1047 HydrophobicContact CG-CG 4.48Å; K1043-E1047 IonicContact NZ-OE1 3.04Å; K1043-E1047 WeakPolarHBondContact O-CG 3.34Å; K1043-E1047 PolarHBondContact O-N 3.46Å; E1047-R1051 WeakPolarHBondContact O-CB 3.15Å; E1047-R1051 PolarHBondContact O-N 2.88Å |
| 1048 | E | 91.9 | Very high | 88.2 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 170.5 | -171.3 | -176.2 | 171.2 | 0 | 0 | 110.7 | P1044 V1045 R1051 E1052 T1070 K1073 | P1044-E1048 WeakPolarHBondContact O-CB 3.06Å; P1044-E1048 PolarHBondContact O-N 3.02Å; V1045-E1048 PolarHBondContact O-N 2.8Å; E1048-R1051 WeakPolarHBondContact O-CB 3.21Å; E1048-R1051 PolarHBondContact O-N 3.44Å; E1048-E1052 PolarHBondContact O-N 2.85Å; E1048-T1070 HydrophobicContact CB-CG2 4.19Å; E1048-T1070 HydrophobicContact CG-CG2 4.15Å; E1048-K1073 IonicContact OE1-NZ 3.63Å; E1048-K1073 PolarHBondContact OE1-NZ 2.72Å |
| 1049 | Y | 91.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.1 | -47 | -175.1 | -171.3 | -149.2 | 0 | 0 | 0 | 113.2 | L1003 L1005 P1023 F1026 V1045 V1046 R1051 E1052 Q1053 P1068 V1071 | L1003-Y1049 WeakPolarHBondContact CB-OH 3.48Å; L1003-Y1049 PolarHBondContact O-OH 2.78Å; L1005-Y1049 HydrophobicContact CD1-CD1 3.7Å; L1005-Y1049 HydrophobicContact CD1-CE1 3.41Å; L1005-Y1049 VanDerWaalsContact CD1-CE1 3.41Å; L1005-Y1049 HydrophobicContact CD2-CD1 4.1Å; L1005-Y1049 HydrophobicContact CD2-CE1 4.14Å; L1005-Y1049 HydrophobicContact CG-CD1 4.09Å; L1005-Y1049 HydrophobicContact CG-CE1 3.67Å; P1023-Y1049 HydrophobicContact CG-CD1 4.35Å; P1023-Y1049 HydrophobicContact CG-CE1 3.54Å; F1026-Y1049 AromaticContact CE2-CD1 3.49Å; F1026-Y1049 HydrophobicContact CE2-CD1 3.49Å; F1026-Y1049 VanDerWaalsContact CE2-CD1 3.49Å; F1026-Y1049 HydrophobicContact CE2-CE1 4.17Å; F1026-Y1049 AromaticContact CE2-CG 3.97Å; F1026-Y1049 HydrophobicContact CE2-CG 3.97Å; F1026-Y1049 AromaticContact CZ-CD1 3.68Å; F1026-Y1049 HydrophobicContact CZ-CD1 3.68Å; F1026-Y1049 HydrophobicContact CZ-CE1 4.16Å; F1026-Y1049 AromaticContact CZ-CG 3.86Å; F1026-Y1049 HydrophobicContact CZ-CG 3.86Å; V1045-Y1049 WeakPolarHBondContact O-CB 3.17Å; V1045-Y1049 PolarHBondContact O-N 2.82Å; V1046-Y1049 PolarHBondContact O-N 2.91Å; Y1049-R1051 PolarHBondContact O-N 2.76Å; Y1049-E1052 WeakPolarHBondContact O-CB 3.22Å; Y1049-E1052 PolarHBondContact O-N 2.94Å; Y1049-Q1053 HydrophobicContact CD2-CG 4.09Å; Y1049-Q1053 HydrophobicContact CE2-CG 3.87Å; Y1049-Q1053 WeakPolarHBondContact O-CG 3.42Å; Y1049-Q1053 PolarHBondContact O-N 2.89Å; Y1049-Q1053 VanDerWaalsContact O-N 3.11Å; Y1049-P1068 HydrophobicContact CD2-CB 4.33Å; Y1049-P1068 HydrophobicContact CE2-CB 3.53Å; Y1049-P1068 HydrophobicContact CE2-CG 3.75Å; Y1049-V1071 HydrophobicContact CE1-CG2 4.39Å; Y1049-V1071 HydrophobicContact CE2-CG2 4Å |
| 1050 | L | 89.2 | Confident | 86.9 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.2 | -35.5 | 175.3 | -71.4 | -180 | 0 | 0 | 0 | 111.7 | I983 L993 L1005 V1019 V1046 T1054 | I983-L1050 HydrophobicContact CD1-CD1 3.82Å; I983-L1050 HydrophobicContact CG2-CD1 4.36Å; L993-L1050 HydrophobicContact CD2-CD2 4.29Å; L1005-L1050 HydrophobicContact CD1-CD2 4.14Å; V1019-L1050 HydrophobicContact CG2-CD1 3.9Å; V1046-L1050 HydrophobicContact CG1-CD1 4.4Å; V1046-L1050 HydrophobicContact CG1-CG 4.39Å; V1046-L1050 WeakPolarHBondContact O-CG 3.23Å; V1046-L1050 PolarHBondContact O-N 3.01Å; L1050-T1054 WeakPolarHBondContact O-CB 3.29Å; L1050-T1054 PolarHBondContact O-N 3.29Å; L1050-T1054 PolarHBondContact O-OG1 3.44Å |
| 1051 | R | 89 | Confident | 85.7 | Confident | 142 Ų | 142 | 47.7 Ų | 47.7 | 54% | 0.536 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 176.5 | -171 | -178.7 | -59.1 | 160.1 | 7.7 | 111.7 | E1047 E1048 Y1049 T1054 E1055 | E1047-R1051 WeakPolarHBondContact O-CB 3.15Å; E1047-R1051 PolarHBondContact O-N 2.88Å; E1048-R1051 WeakPolarHBondContact O-CB 3.21Å; E1048-R1051 PolarHBondContact O-N 3.44Å; Y1049-R1051 PolarHBondContact O-N 2.76Å; R1051-T1054 PolarHBondContact O-N 2.7Å; R1051-E1055 WeakPolarHBondContact O-CB 3.22Å; R1051-E1055 PolarHBondContact O-N 3.48Å |
| 1052 | E | 89.1 | Confident | 84.3 | Confident | 28 Ų | 28 | 55.3 Ų | 55.3 | 13% | 0.131 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.4 | -52.5 | 174.5 | -175.9 | -171.9 | 179.5 | 0 | 0 | 111.1 | E1048 Y1049 T1054 E1055 L1056 L1069 T1070 | E1048-E1052 PolarHBondContact O-N 2.85Å; Y1049-E1052 WeakPolarHBondContact O-CB 3.22Å; Y1049-E1052 PolarHBondContact O-N 2.94Å; E1052-T1054 PolarHBondContact O-N 2.76Å; E1052-E1055 WeakPolarHBondContact O-CB 3.28Å; E1052-E1055 PolarHBondContact O-N 2.76Å; E1052-E1055 VanDerWaalsContact O-N 3.16Å; E1052-L1056 HydrophobicContact CG-CD1 4.33Å; E1052-L1056 WeakPolarHBondContact O-CG 3.39Å; E1052-L1056 PolarHBondContact O-N 3.41Å; E1052-L1069 WeakPolarHBondContact OE1-CB 3.4Å; E1052-L1069 PolarHBondContact OE1-N 3.47Å; E1052-T1070 VanDerWaalsContact OE2-CB 3.31Å; E1052-T1070 WeakPolarHBondContact OE2-CB 3.3Å; E1052-T1070 PolarHBondContact OE2-N 2.87Å; E1052-T1070 PolarHBondContact OE2-OG1 3.22Å |
| 1053 | Q | 86.1 | Confident | 82.9 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.8 | -36.4 | -175.8 | -58.4 | -51.3 | -55.8 | 0 | 0 | 112.4 | W1000 L1003 Y1049 E1055 L1056 L1057 | W1000-Q1053 HydrophobicContact CH2-CB 3.55Å; W1000-Q1053 HydrophobicContact CH2-CG 4.43Å; W1000-Q1053 HydrophobicContact CZ3-CB 3.47Å; W1000-Q1053 VanDerWaalsContact CZ3-CB 3.47Å; W1000-Q1053 HydrophobicContact CZ3-CG 3.84Å; L1003-Q1053 HydrophobicContact CD1-CG 3.87Å; Y1049-Q1053 HydrophobicContact CD2-CG 4.09Å; Y1049-Q1053 HydrophobicContact CE2-CG 3.87Å; Y1049-Q1053 WeakPolarHBondContact O-CG 3.42Å; Y1049-Q1053 PolarHBondContact O-N 2.89Å; Y1049-Q1053 VanDerWaalsContact O-N 3.11Å; Q1053-E1055 VanDerWaalsContact C-N 3.27Å; Q1053-E1055 PolarHBondContact O-N 2.91Å; Q1053-L1056 PolarHBondContact O-N 3.09Å; Q1053-L1057 WeakPolarHBondContact O-CG 3.49Å; Q1053-L1057 PolarHBondContact O-N 3.3Å; Q1053-L1057 VanDerWaalsContact O-N 3.11Å |
| 1054 | T | 85.3 | Confident | 81.3 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -28.1 | 174.2 | -50.6 | 0 | 0 | 0 | 0 | 112.3 | E989 L992 L993 L1050 R1051 E1052 R1058 | E989-T1054 HydrophobicContact CB-CG2 4.09Å; E989-T1054 HydrophobicContact CG-CG2 3.85Å; L992-T1054 HydrophobicContact CB-CG2 4.05Å; L992-T1054 HydrophobicContact CD1-CG2 3.8Å; L993-T1054 WeakPolarHBondContact CD2-OG1 3.37Å; L1050-T1054 WeakPolarHBondContact O-CB 3.29Å; L1050-T1054 PolarHBondContact O-N 3.29Å; L1050-T1054 PolarHBondContact O-OG1 3.44Å; R1051-T1054 PolarHBondContact O-N 2.7Å; E1052-T1054 PolarHBondContact O-N 2.76Å; T1054-R1058 VanDerWaalsContact O-CG 3.32Å; T1054-R1058 WeakPolarHBondContact O-CG 3.33Å; T1054-R1058 PolarHBondContact O-N 3.3Å |
| 1055 | E | 85 | Confident | 79.7 | Confident | 41 Ų | 41 | 55 Ų | 55 | 19% | 0.192 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.8 | -43.9 | 173.5 | -172.3 | -174.1 | 153.2 | 0 | 0 | 112.5 | R298 R1051 E1052 Q1053 L1057 R1058 L1059 | R298-E1055 IonicContact CZ-OE1 2.8Å; R298-E1055 IonicContact CZ-OE2 3.7Å; R298-E1055 IonicContact NE-OE1 3.51Å; R298-E1055 IonicContact NE-OE2 2.67Å; R298-E1055 PolarHBondContact NE-OE2 3.27Å; R298-E1055 VanDerWaalsContact NH1-CD 3.32Å; R298-E1055 IonicContact NH1-OE1 2.68Å; R298-E1055 PolarHBondContact NH1-OE1 3.13Å; R298-E1055 IonicContact NH1-OE2 3.47Å; R298-E1055 IonicContact NH2-OE1 2.76Å; R298-E1055 PolarHBondContact NH2-OE1 3.38Å; R298-E1055 IonicContact NH2-OE2 3.54Å; R298-E1055 PolarHBondContact NH2-OE2 2.79Å; R1051-E1055 WeakPolarHBondContact O-CB 3.22Å; R1051-E1055 PolarHBondContact O-N 3.48Å; E1052-E1055 WeakPolarHBondContact O-CB 3.28Å; E1052-E1055 PolarHBondContact O-N 2.76Å; E1052-E1055 VanDerWaalsContact O-N 3.16Å; Q1053-E1055 VanDerWaalsContact C-N 3.27Å; Q1053-E1055 PolarHBondContact O-N 2.91Å; E1055-L1057 VanDerWaalsContact C-N 3.26Å; E1055-L1057 PolarHBondContact O-N 3.47Å; E1055-R1058 WeakPolarHBondContact O-CA 3.28Å; E1055-R1058 WeakPolarHBondContact O-CB 3.49Å; E1055-R1058 PolarHBondContact O-N 3.33Å; E1055-L1059 HydrophobicContact CG-CD1 3.96Å; E1055-L1059 HydrophobicContact CG-CG 4.36Å; E1055-L1059 PolarHBondContact O-N 2.86Å |
| 1056 | L | 81 | Confident | 78.4 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 32% | 0.319 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.8 | -45.1 | 174.7 | -69.7 | 170.8 | 0 | 0 | 0 | 110.7 | E1052 Q1053 R1058 L1059 T1060 | E1052-L1056 HydrophobicContact CG-CD1 4.33Å; E1052-L1056 WeakPolarHBondContact O-CG 3.39Å; E1052-L1056 PolarHBondContact O-N 3.41Å; Q1053-L1056 PolarHBondContact O-N 3.09Å; L1056-R1058 VanDerWaalsContact C-N 3.33Å; L1056-R1058 PolarHBondContact O-N 3.32Å; L1056-L1059 PolarHBondContact O-N 3.14Å; L1056-T1060 PolarHBondContact O-N 3.39Å; L1056-T1060 PolarHBondContact O-OG1 3.25Å |
| 1057 | L | 80.1 | Confident | 77.9 | Confident | 19 Ų | 19 | 61.6 Ų | 61.6 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.7 | -40 | 173.1 | -73.5 | 166.4 | 0 | 0 | 0 | 113.4 | S996 W1000 Q1053 E1055 G1061 V1063 | S996-L1057 WeakPolarHBondContact OG-CD1 3.49Å; W1000-L1057 HydrophobicContact CZ2-CD1 4.46Å; Q1053-L1057 WeakPolarHBondContact O-CG 3.49Å; Q1053-L1057 PolarHBondContact O-N 3.3Å; Q1053-L1057 VanDerWaalsContact O-N 3.11Å; E1055-L1057 VanDerWaalsContact C-N 3.26Å; E1055-L1057 PolarHBondContact O-N 3.47Å; L1057-G1061 VanDerWaalsContact O-CA 3.3Å; L1057-G1061 WeakPolarHBondContact O-CA 3.25Å; L1057-G1061 PolarHBondContact O-N 3.44Å; L1057-G1061 VanDerWaalsContact O-N 3.09Å; L1057-V1063 HydrophobicContact CD2-CG2 4.04Å; L1057-V1063 HydrophobicContact CG-CG2 4.14Å |
| 1058 | R | 80.3 | Confident | 77.7 | Confident | 72 Ų | 72 | 59 Ų | 59 | 27% | 0.272 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.6 | -35.2 | 176.4 | -75.5 | 165.2 | 167.5 | 147.3 | -8.1 | 113 | E989 L992 T1054 E1055 L1056 | E989-R1058 IonicContact OE1-CZ 3.58Å; E989-R1058 IonicContact OE1-NH1 2.82Å; E989-R1058 PolarHBondContact OE1-NH1 2.7Å; E989-R1058 IonicContact OE1-NH2 3.82Å; E989-R1058 PolarHBondContact OE1-NH2 2.73Å; L992-R1058 HydrophobicContact CD1-CG 3.68Å; T1054-R1058 VanDerWaalsContact O-CG 3.32Å; T1054-R1058 WeakPolarHBondContact O-CG 3.33Å; T1054-R1058 PolarHBondContact O-N 3.3Å; E1055-R1058 WeakPolarHBondContact O-CA 3.28Å; E1055-R1058 WeakPolarHBondContact O-CB 3.49Å; E1055-R1058 PolarHBondContact O-N 3.33Å; L1056-R1058 VanDerWaalsContact C-N 3.33Å; L1056-R1058 PolarHBondContact O-N 3.32Å |
| 1059 | L | 78.5 | Confident | 77.4 | Confident | 125 Ų | 125 | 60.6 Ų | 60.6 | 65% | 0.654 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -89.6 | -33.1 | -173.4 | -68.5 | 175.5 | 0 | 0 | 0 | 114.1 | E1055 L1056 | E1055-L1059 HydrophobicContact CG-CD1 3.96Å; E1055-L1059 HydrophobicContact CG-CG 4.36Å; E1055-L1059 PolarHBondContact O-N 2.86Å; L1056-L1059 PolarHBondContact O-N 3.14Å |
| 1060 | T | 69.7 | Low | 77.4 | Confident | 94 Ų | 94 | 60.8 Ų | 60.8 | 58% | 0.577 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -125.4 | -5.9 | -172.1 | 67.2 | 0 | 0 | 0 | 0 | 114 | L1056 R1062 | L1056-T1060 PolarHBondContact O-N 3.39Å; L1056-T1060 PolarHBondContact O-OG1 3.25Å; T1060-R1062 PolarHBondContact O-N 2.87Å; T1060-R1062 PolarHBondContact OG1-O 3.29Å |
| 1061 | G | 63.8 | Low | 77.4 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 70 | 1.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1057 | L1057-G1061 VanDerWaalsContact O-CA 3.3Å; L1057-G1061 WeakPolarHBondContact O-CA 3.25Å; L1057-G1061 PolarHBondContact O-N 3.44Å; L1057-G1061 VanDerWaalsContact O-N 3.09Å |
| 1062 | R | 60.9 | Low | 77.4 | Confident | 191 Ų | 191 | 56.8 Ų | 56.8 | 72% | 0.721 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -149.7 | 148.3 | -179.7 | -61.3 | -174.1 | 180 | -166.1 | -0.7 | 110.8 | T1060 G1064 | T1060-R1062 PolarHBondContact O-N 2.87Å; T1060-R1062 PolarHBondContact OG1-O 3.29Å; R1062-G1064 PolarHBondContact O-N 3.15Å |
| 1063 | V | 61.4 | Low | 77.5 | Confident | 32 Ų | 32 | 61 Ų | 61 | 19% | 0.194 | 35% | 0.354 | C | S | . | . | trans | -72.8 | 120.6 | 162.4 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | L1003 L1057 | L1003-V1063 HydrophobicContact CD1-CG1 4.08Å; L1003-V1063 HydrophobicContact CD2-CG1 4.33Å; L1057-V1063 HydrophobicContact CD2-CG2 4.04Å; L1057-V1063 HydrophobicContact CG-CG2 4.14Å | ||
| 1064 | G | 56.8 | Low | 77.7 | Confident | 44 Ų | 44 | 61.1 Ų | 61.1 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | trans | -85.7 | 151.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1062 T1066 | R1062-G1064 PolarHBondContact O-N 3.15Å; G1064-T1066 PolarHBondContact O-N 2.85Å | ||
| 1065 | G | 57.8 | Low | 78 | Confident | 94 Ų | 94 | 61 Ų | 61 | 97% | 0.969 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -75.6 | 34.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 1066 | T | 66.4 | Low | 78.2 | Confident | 115 Ų | 115 | 59.5 Ų | 59.5 | 71% | 0.706 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -108.8 | 145.4 | 174.1 | 48.8 | 0 | 0 | 0 | 0 | 110.5 | G1064 P1068 | G1064-T1066 PolarHBondContact O-N 2.85Å; T1066-P1068 WeakPolarHBondContact O-CD 3.41Å |
| 1067 | L | 80.4 | Confident | 78.7 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | trans | -53.6 | 124.6 | 173.5 | -176.5 | 72.1 | 0 | 0 | 0 | 110.6 | V956 Y960 L972 V1071 L1072 L1075 | V956-L1067 HydrophobicContact CG1-CD2 4.12Å; V956-L1067 HydrophobicContact CG2-CD2 3.82Å; Y960-L1067 HydrophobicContact CE2-CD1 4.12Å; Y960-L1067 WeakPolarHBondContact OH-CD1 3.3Å; L972-L1067 HydrophobicContact CD1-CD1 4.38Å; L972-L1067 HydrophobicContact CD2-CD1 3.76Å; L1067-V1071 HydrophobicContact CD1-CB 4.22Å; L1067-V1071 HydrophobicContact CD1-CG1 3.78Å; L1067-V1071 HydrophobicContact CG-CB 4.49Å; L1067-V1071 HydrophobicContact CG-CG1 4.4Å; L1067-L1072 HydrophobicContact CD2-CB 4.07Å; L1067-L1072 HydrophobicContact CD2-CD1 4.06Å; L1067-L1075 HydrophobicContact CD2-CD1 4.18Å | ||
| 1068 | P | 87 | Confident | 79.1 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 5% | 0.045 | 35% | 0.347 | C | S | . | . | trans | -59.3 | 144.9 | -179.8 | -29.8 | 38.4 | 0 | 0 | 0 | 113.8 | L1003 Y1049 T1066 T1070 V1071 L1072 | L1003-P1068 HydrophobicContact CD2-CG 3.94Å; Y1049-P1068 HydrophobicContact CD2-CB 4.33Å; Y1049-P1068 HydrophobicContact CE2-CB 3.53Å; Y1049-P1068 HydrophobicContact CE2-CG 3.75Å; T1066-P1068 WeakPolarHBondContact O-CD 3.41Å; P1068-T1070 VanDerWaalsContact C-N 3.3Å; P1068-T1070 PolarHBondContact O-N 2.75Å; P1068-V1071 HydrophobicContact CB-CB 4.45Å; P1068-V1071 HydrophobicContact CB-CG2 4.16Å; P1068-V1071 HydrophobicContact CG-CG2 4.48Å; P1068-V1071 PolarHBondContact O-N 2.8Å; P1068-V1071 VanDerWaalsContact O-N 3.12Å; P1068-L1072 PolarHBondContact O-N 2.94Å | ||
| 1069 | L | 86.8 | Confident | 79.6 | Confident | 108 Ų | 108 | 55.1 Ų | 55.1 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.1 | -35.1 | -178.5 | -59.5 | 177.8 | 0 | 0 | 0 | 111.8 | E1052 V1071 L1072 K1073 | E1052-L1069 WeakPolarHBondContact OE1-CB 3.4Å; E1052-L1069 PolarHBondContact OE1-N 3.47Å; L1069-V1071 VanDerWaalsContact C-N 3.33Å; L1069-V1071 PolarHBondContact O-N 2.72Å; L1069-L1072 PolarHBondContact O-N 2.8Å; L1069-K1073 WeakPolarHBondContact O-CB 3.39Å; L1069-K1073 WeakPolarHBondContact O-CG 3.26Å; L1069-K1073 PolarHBondContact O-N 2.98Å |
| 1070 | T | 90.1 | Very high | 79.9 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 176 | -49 | 0 | 0 | 0 | 0 | 111.6 | F1026 V1045 E1048 E1052 P1068 V1074 | F1026-T1070 HydrophobicContact CZ-CG2 4.09Å; V1045-T1070 HydrophobicContact CG1-CG2 4.3Å; E1048-T1070 HydrophobicContact CB-CG2 4.19Å; E1048-T1070 HydrophobicContact CG-CG2 4.15Å; E1052-T1070 VanDerWaalsContact OE2-CB 3.31Å; E1052-T1070 WeakPolarHBondContact OE2-CB 3.3Å; E1052-T1070 PolarHBondContact OE2-N 2.87Å; E1052-T1070 PolarHBondContact OE2-OG1 3.22Å; P1068-T1070 VanDerWaalsContact C-N 3.3Å; P1068-T1070 PolarHBondContact O-N 2.75Å; T1070-V1074 VanDerWaalsContact O-CG2 3.31Å; T1070-V1074 WeakPolarHBondContact O-CG2 3.45Å; T1070-V1074 PolarHBondContact O-N 3.11Å |
| 1071 | V | 90.4 | Very high | 80.6 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.3 | -48.3 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | L972 P1023 F1026 Y1049 L1067 P1068 L1069 K1073 V1074 L1075 | L972-V1071 HydrophobicContact CD1-CG1 4.41Å; L972-V1071 HydrophobicContact CD1-CG2 4.14Å; P1023-V1071 HydrophobicContact CB-CG2 4.47Å; P1023-V1071 HydrophobicContact CG-CG2 4.14Å; F1026-V1071 HydrophobicContact CE1-CG2 4.01Å; F1026-V1071 HydrophobicContact CZ-CG2 4.04Å; Y1049-V1071 HydrophobicContact CE1-CG2 4.39Å; Y1049-V1071 HydrophobicContact CE2-CG2 4Å; L1067-V1071 HydrophobicContact CD1-CB 4.22Å; L1067-V1071 HydrophobicContact CD1-CG1 3.78Å; L1067-V1071 HydrophobicContact CG-CB 4.49Å; L1067-V1071 HydrophobicContact CG-CG1 4.4Å; P1068-V1071 HydrophobicContact CB-CB 4.45Å; P1068-V1071 HydrophobicContact CB-CG2 4.16Å; P1068-V1071 HydrophobicContact CG-CG2 4.48Å; P1068-V1071 PolarHBondContact O-N 2.8Å; P1068-V1071 VanDerWaalsContact O-N 3.12Å; L1069-V1071 VanDerWaalsContact C-N 3.33Å; L1069-V1071 PolarHBondContact O-N 2.72Å; V1071-K1073 VanDerWaalsContact C-N 3.33Å; V1071-K1073 PolarHBondContact O-N 3.28Å; V1071-V1074 PolarHBondContact O-N 2.97Å; V1071-L1075 HydrophobicContact CG1-CD1 4.02Å; V1071-L1075 HydrophobicContact CG1-CG 4.33Å; V1071-L1075 WeakPolarHBondContact O-CG 3.42Å; V1071-L1075 PolarHBondContact O-N 3.32Å |
| 1072 | L | 89.5 | Confident | 81.5 | Confident | 63 Ų | 63 | 49.2 Ų | 49.2 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.7 | -41 | 177.2 | -178.3 | 62.7 | 0 | 0 | 0 | 112.6 | L952 L1067 P1068 L1069 V1074 L1075 A1076 | L952-L1072 HydrophobicContact CD1-CD1 4.19Å; L952-L1072 HydrophobicContact CD2-CD1 4.32Å; L1067-L1072 HydrophobicContact CD2-CB 4.07Å; L1067-L1072 HydrophobicContact CD2-CD1 4.06Å; P1068-L1072 PolarHBondContact O-N 2.94Å; L1069-L1072 PolarHBondContact O-N 2.8Å; L1072-V1074 VanDerWaalsContact C-N 3.35Å; L1072-V1074 PolarHBondContact O-N 3.41Å; L1072-L1075 PolarHBondContact O-N 2.95Å; L1072-A1076 VanDerWaalsContact O-CB 3.22Å; L1072-A1076 WeakPolarHBondContact O-CB 3.28Å; L1072-A1076 PolarHBondContact O-N 2.67Å |
| 1073 | K | 89.6 | Confident | 82.9 | Confident | 118 Ų | 118 | 40.4 Ų | 40.4 | 51% | 0.513 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 173.4 | -75.6 | 168.3 | -170.2 | 179.1 | 0 | 112.5 | E1048 L1069 V1071 S1077 | E1048-K1073 IonicContact OE1-NZ 3.63Å; E1048-K1073 PolarHBondContact OE1-NZ 2.72Å; L1069-K1073 WeakPolarHBondContact O-CB 3.39Å; L1069-K1073 WeakPolarHBondContact O-CG 3.26Å; L1069-K1073 PolarHBondContact O-N 2.98Å; V1071-K1073 VanDerWaalsContact C-N 3.33Å; V1071-K1073 PolarHBondContact O-N 3.28Å; K1073-S1077 PolarHBondContact O-N 2.84Å; K1073-S1077 VanDerWaalsContact O-N 3.11Å |
| 1074 | V | 91.5 | Very high | 84.2 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.9 | -49 | 178.5 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | C1025 F1026 K1029 V1045 T1070 V1071 L1072 A1076 S1077 L1078 | C1025-V1074 HydrophobicContact CB-CG1 4.02Å; C1025-V1074 VanDerWaalsContact O-CG1 3.31Å; C1025-V1074 WeakPolarHBondContact O-CG1 3.26Å; F1026-V1074 HydrophobicContact CD1-CB 4.28Å; F1026-V1074 HydrophobicContact CD1-CG1 4.2Å; F1026-V1074 HydrophobicContact CD1-CG2 3.88Å; F1026-V1074 HydrophobicContact CE1-CB 4.34Å; F1026-V1074 HydrophobicContact CE1-CG2 3.84Å; K1029-V1074 HydrophobicContact CB-CG1 4.02Å; K1029-V1074 HydrophobicContact CD-CB 4.48Å; K1029-V1074 HydrophobicContact CD-CG1 4.03Å; K1029-V1074 HydrophobicContact CD-CG2 3.88Å; V1045-V1074 HydrophobicContact CG1-CG2 4.15Å; T1070-V1074 VanDerWaalsContact O-CG2 3.31Å; T1070-V1074 WeakPolarHBondContact O-CG2 3.45Å; T1070-V1074 PolarHBondContact O-N 3.11Å; V1071-V1074 PolarHBondContact O-N 2.97Å; L1072-V1074 VanDerWaalsContact C-N 3.35Å; L1072-V1074 PolarHBondContact O-N 3.41Å; V1074-A1076 VanDerWaalsContact C-N 3.33Å; V1074-A1076 PolarHBondContact O-N 2.86Å; V1074-S1077 WeakPolarHBondContact O-CB 3.37Å; V1074-S1077 PolarHBondContact O-N 2.89Å; V1074-S1077 VanDerWaalsContact O-N 3.15Å; V1074-L1078 HydrophobicContact CG1-CD1 4.02Å; V1074-L1078 WeakPolarHBondContact O-CG 3.34Å; V1074-L1078 PolarHBondContact O-N 2.84Å |
| 1075 | L | 91.9 | Very high | 85.7 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -39 | 177.3 | -60.9 | 176 | 0 | 0 | 0 | 112 | L952 L955 V956 C1025 L1067 V1071 L1072 S1077 L1078 A1079 | L952-L1075 HydrophobicContact CD1-CB 3.84Å; L955-L1075 HydrophobicContact CB-CD2 4.28Å; V956-L1075 HydrophobicContact CB-CD1 4.48Å; V956-L1075 HydrophobicContact CG2-CD1 3.72Å; C1025-L1075 HydrophobicContact CB-CD2 3.52Å; C1025-L1075 HydrophobicContact CB-CG 4.48Å; L1067-L1075 HydrophobicContact CD2-CD1 4.18Å; V1071-L1075 HydrophobicContact CG1-CD1 4.02Å; V1071-L1075 HydrophobicContact CG1-CG 4.33Å; V1071-L1075 WeakPolarHBondContact O-CG 3.42Å; V1071-L1075 PolarHBondContact O-N 3.32Å; L1072-L1075 PolarHBondContact O-N 2.95Å; L1075-S1077 VanDerWaalsContact C-N 3.35Å; L1075-S1077 PolarHBondContact O-N 3.35Å; L1075-L1078 HydrophobicContact CD2-CD1 4.49Å; L1075-L1078 PolarHBondContact O-N 2.98Å; L1075-A1079 WeakPolarHBondContact O-CB 3.21Å; L1075-A1079 PolarHBondContact O-N 3.01Å |
| 1076 | A | 89.3 | Confident | 86.8 | Confident | 9 Ų | 9 | 42 Ų | 42 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -40.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L952 L1072 V1074 A1079 C1080 A1112 | L952-A1076 HydrophobicContact CD1-CB 4.42Å; L1072-A1076 VanDerWaalsContact O-CB 3.22Å; L1072-A1076 WeakPolarHBondContact O-CB 3.28Å; L1072-A1076 PolarHBondContact O-N 2.67Å; V1074-A1076 VanDerWaalsContact C-N 3.33Å; V1074-A1076 PolarHBondContact O-N 2.86Å; A1076-A1079 PolarHBondContact O-N 3.21Å; A1076-C1080 WeakPolarHBondContact O-CB 3.44Å; A1076-C1080 PolarHBondContact O-N 2.85Å; A1076-A1112 HydrophobicContact CB-CB 4.02Å |
| 1077 | S | 89.6 | Confident | 87.7 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.3 | -39.6 | 174.5 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | K1073 V1074 L1075 A1079 C1080 H1081 | K1073-S1077 PolarHBondContact O-N 2.84Å; K1073-S1077 VanDerWaalsContact O-N 3.11Å; V1074-S1077 WeakPolarHBondContact O-CB 3.37Å; V1074-S1077 PolarHBondContact O-N 2.89Å; V1074-S1077 VanDerWaalsContact O-N 3.15Å; L1075-S1077 VanDerWaalsContact C-N 3.35Å; L1075-S1077 PolarHBondContact O-N 3.35Å; S1077-A1079 VanDerWaalsContact C-N 3.33Å; S1077-C1080 WeakPolarHBondContact O-CB 3.4Å; S1077-C1080 PolarHBondContact O-N 2.81Å; S1077-H1081 PolarHBondContact O-N 3Å; S1077-H1081 VanDerWaalsContact O-N 3.16Å; S1077-H1081 PolarHBondContact O-ND1 3.24Å |
| 1078 | L | 89.2 | Confident | 88.1 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.8 | -32.8 | 175 | -65.1 | 170.5 | 0 | 0 | 0 | 112.1 | R951 L955 C1025 E1028 N1032 V1074 L1075 G1082 | R951-L1078 PolarHBondContact NE-O 2.65Å; L955-L1078 HydrophobicContact CD1-CB 3.95Å; C1025-L1078 HydrophobicContact CB-CD1 4.07Å; E1028-L1078 HydrophobicContact CB-CD1 4.35Å; N1032-L1078 WeakPolarHBondContact ND2-CD2 3.47Å; V1074-L1078 HydrophobicContact CG1-CD1 4.02Å; V1074-L1078 WeakPolarHBondContact O-CG 3.34Å; V1074-L1078 PolarHBondContact O-N 2.84Å; L1075-L1078 HydrophobicContact CD2-CD1 4.49Å; L1075-L1078 PolarHBondContact O-N 2.98Å; L1078-G1082 PolarHBondContact O-N 3.26Å |
| 1079 | A | 90.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.8 | -51.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R951 L952 L955 L1075 A1076 S1077 H1081 G1082 A1083 | R951-A1079 HydrophobicContact CB-CB 4.24Å; R951-A1079 WeakPolarHBondContact CD-O 3.39Å; R951-A1079 HydrophobicContact CG-CB 4.21Å; L952-A1079 HydrophobicContact CB-CB 3.96Å; L955-A1079 HydrophobicContact CD1-CB 4.19Å; L1075-A1079 WeakPolarHBondContact O-CB 3.21Å; L1075-A1079 PolarHBondContact O-N 3.01Å; A1076-A1079 PolarHBondContact O-N 3.21Å; S1077-A1079 VanDerWaalsContact C-N 3.33Å; A1079-H1081 PolarHBondContact O-N 2.86Å; A1079-G1082 CarbonylContact O-C 3.52Å; A1079-G1082 PolarHBondContact O-N 2.83Å; A1079-A1083 WeakPolarHBondContact O-CB 3.46Å; A1079-A1083 PolarHBondContact O-N 3.06Å |
| 1080 | C | 85.5 | Confident | 88.4 | Confident | 36 Ų | 36 | 43 Ų | 43 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -50.4 | -51.5 | 178.4 | -175.5 | 0 | 0 | 0 | 0 | 113.3 | E948 A1076 S1077 G1082 K1085 | E948-C1080 WeakPolarHBondContact OE1-CA 3.27Å; E948-C1080 PolarHBondContact OE1-SG 2.77Å; E948-C1080 VanDerWaalsContact OE1-SG 3.38Å; A1076-C1080 WeakPolarHBondContact O-CB 3.44Å; A1076-C1080 PolarHBondContact O-N 2.85Å; S1077-C1080 WeakPolarHBondContact O-CB 3.4Å; S1077-C1080 PolarHBondContact O-N 2.81Å; C1080-G1082 PolarHBondContact O-N 3.33Å; C1080-K1085 PolarHBondContact O-NZ 2.9Å |
| 1081 | H | 84.1 | Confident | 88.5 | Confident | 88 Ų | 88 | 45.5 Ų | 45.5 | 41% | 0.407 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.5 | -36.7 | -176.6 | -72.2 | 98 | 0 | 0 | 0 | 112.4 | R1036 S1077 A1079 K1085 | R1036-H1081 PolarHBondContact NH1-CD2 2.96Å; R1036-H1081 PolarHBondContact NH1-NE2 2.9Å; R1036-H1081 VanDerWaalsContact NH1-NE2 3.11Å; R1036-H1081 PolarHBondContact NH2-CD2 2.7Å; S1077-H1081 PolarHBondContact O-N 3Å; S1077-H1081 VanDerWaalsContact O-N 3.16Å; S1077-H1081 PolarHBondContact O-ND1 3.24Å; A1079-H1081 PolarHBondContact O-N 2.86Å; H1081-K1085 PolarHBondContact O-NZ 2.73Å |
| 1082 | G | 82.8 | Confident | 88.5 | Confident | 30 Ų | 30 | 52 Ų | 52 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -95.4 | 3.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | R951 L1078 A1079 C1080 | R951-G1082 PolarHBondContact NH1-O 3.37Å; L1078-G1082 PolarHBondContact O-N 3.26Å; A1079-G1082 CarbonylContact O-C 3.52Å; A1079-G1082 PolarHBondContact O-N 2.83Å; C1080-G1082 PolarHBondContact O-N 3.33Å |
| 1083 | A | 90.2 | Very high | 88.5 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -77 | 158.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H947 E948 A1079 K1085 | H947-A1083 HydrophobicContact CB-CB 4.34Å; E948-A1083 HydrophobicContact CB-CB 4.45Å; E948-A1083 HydrophobicContact CG-CB 3.76Å; A1079-A1083 WeakPolarHBondContact O-CB 3.46Å; A1079-A1083 PolarHBondContact O-N 3.06Å; A1083-K1085 WeakPolarHBondContact O-CE 3.21Å; A1083-K1085 PolarHBondContact O-NZ 3.36Å |
| 1084 | I | 89.1 | Confident | 88.6 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 17% | 0.169 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 144.4 | 169.8 | -78.8 | 154.6 | 0 | 0 | 0 | 109.6 | Q943 H944 H947 D1088 L1090 L1098 | Q943-I1084 HydrophobicContact CG-CG2 3.84Å; H944-I1084 WeakPolarHBondContact CB-O 3.45Å; H944-I1084 PolarHBondContact ND1-O 2.86Å; H947-I1084 HydrophobicContact CB-CB 4.28Å; H947-I1084 HydrophobicContact CB-CD1 4.24Å; H947-I1084 VanDerWaalsContact ND1-CD1 3.3Å; H947-I1084 WeakPolarHBondContact ND1-CD1 3.42Å; H947-I1084 WeakPolarHBondContact ND1-CG1 3.46Å; H947-I1084 PolarHBondContact ND1-N 2.78Å; I1084-D1088 HydrophobicContact CG2-CB 4.02Å; I1084-L1090 HydrophobicContact CD1-CD1 4.15Å; I1084-L1090 HydrophobicContact CD1-CD2 3.79Å; I1084-L1090 HydrophobicContact CG1-CD2 4.28Å; I1084-L1090 HydrophobicContact CG2-CD1 4.42Å; I1084-L1098 HydrophobicContact CD1-CD2 4.34Å |
| 1085 | K | 87 | Confident | 88.6 | Confident | 81 Ų | 81 | 52.4 Ų | 52.4 | 35% | 0.352 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 171.6 | 178.9 | -52.4 | -51.4 | -179.5 | -136.9 | 0 | 111.6 | Q943 C1080 H1081 A1083 D1088 | Q943-K1085 PolarHBondContact NE2-O 2.79Å; C1080-K1085 PolarHBondContact O-NZ 2.9Å; H1081-K1085 PolarHBondContact O-NZ 2.73Å; A1083-K1085 WeakPolarHBondContact O-CE 3.21Å; A1083-K1085 PolarHBondContact O-NZ 3.36Å; K1085-D1088 PolarHBondContact N-OD2 3.08Å |
| 1086 | F | 81.2 | Confident | 88.6 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 39% | 0.386 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 144.1 | 166.7 | -60.7 | -55 | 0 | 0 | 0 | 110.2 | K910 H944 D1088 | K910-F1086 HydrophobicContact CB-CD1 3.92Å; K910-F1086 HydrophobicContact CB-CE1 4.45Å; K910-F1086 HydrophobicContact CD-CD1 4.46Å; K910-F1086 HydrophobicContact CG-CB 4.05Å; K910-F1086 HydrophobicContact CG-CD1 3.72Å; K910-F1086 HydrophobicContact CG-CG 4.22Å; H944-F1086 HydrophobicContact CB-CD1 4.36Å; H944-F1086 HydrophobicContact CB-CE1 3.92Å; H944-F1086 HydrophobicContact CB-CZ 4.09Å; H944-F1086 AromaticContact CD2-CE2 4Å; H944-F1086 AromaticContact CD2-CZ 3.88Å; F1086-D1088 VanDerWaalsContact C-N 3.27Å |
| 1087 | N | 85 | Confident | 88.8 | Confident | 106 Ų | 106 | 60.6 Ų | 60.6 | 57% | 0.567 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -6.6 | -172.4 | -51.7 | -18.1 | 0 | 0 | 0 | 115.7 | K909 K910 T1089 | K909-N1087 VanDerWaalsContact CD-O 3.24Å; K909-N1087 WeakPolarHBondContact CD-O 3.35Å; K909-N1087 WeakPolarHBondContact O-CA 3.21Å; K909-N1087 PolarHBondContact O-N 2.67Å; K910-N1087 WeakPolarHBondContact CE-OD1 3.48Å; N1087-T1089 PolarHBondContact O-N 3.22Å |
| 1088 | D | 88.4 | Confident | 89 | Confident | 65 Ų | 65 | 59.3 Ų | 59.3 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | trans | -63.9 | 125.3 | 168.9 | -65.4 | -1.4 | 0 | 0 | 0 | 109.4 | Q906 Q943 I1084 K1085 F1086 | Q906-D1088 PolarHBondContact NE2-O 3.29Å; Q943-D1088 PolarHBondContact NE2-O 3.19Å; I1084-D1088 HydrophobicContact CG2-CB 4.02Å; K1085-D1088 PolarHBondContact N-OD2 3.08Å; F1086-D1088 VanDerWaalsContact C-N 3.27Å | ||
| 1089 | T | 90.2 | Very high | 89.1 | Confident | 94 Ų | 94 | 58.8 Ų | 58.8 | 58% | 0.577 | 31% | 0.305 | S | S | * | . | trans | -79 | 126.9 | 172 | 43.9 | 0 | 0 | 0 | 0 | 110.2 | K909 N1087 | K909-T1089 HydrophobicContact CD-CG2 3.59Å; K909-T1089 HydrophobicContact CG-CG2 4.23Å; K909-T1089 VanDerWaalsContact NZ-CG2 3.33Å; N1087-T1089 PolarHBondContact O-N 3.22Å | ||
| 1090 | L | 91.3 | Very high | 89.1 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | trans | -112.6 | 130.4 | 175.5 | -60.4 | 176.8 | 0 | 0 | 0 | 109.4 | Q906 L912 Q943 I1084 E1094 C1095 L1098 | Q906-L1090 VanDerWaalsContact OE1-N 3.07Å; L912-L1090 HydrophobicContact CD2-CD1 4.37Å; Q943-L1090 HydrophobicContact CB-CD1 4.14Å; I1084-L1090 HydrophobicContact CD1-CD1 4.15Å; I1084-L1090 HydrophobicContact CD1-CD2 3.79Å; I1084-L1090 HydrophobicContact CG1-CD2 4.28Å; I1084-L1090 HydrophobicContact CG2-CD1 4.42Å; L1090-E1094 HydrophobicContact CB-CB 4.36Å; L1090-E1094 HydrophobicContact CD2-CB 4.45Å; L1090-C1095 WeakPolarHBondContact CB-SG 3.42Å; L1090-L1098 HydrophobicContact CD1-CD2 4.48Å | ||
| 1091 | S | 92.6 | Very high | 89.4 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 39% | 0.392 | 33% | 0.33 | S | S | . | . | trans | -61.7 | 159.4 | 168.2 | 68.4 | 0 | 0 | 0 | 0 | 110.5 | D1093 E1094 C1095 | S1091-D1093 PolarHBondContact O-N 3.41Å; S1091-D1093 VanDerWaalsContact O-N 3.11Å; S1091-E1094 WeakPolarHBondContact CA-OE2 3.38Å; S1091-E1094 WeakPolarHBondContact CB-OE2 3.33Å; S1091-E1094 PolarHBondContact N-OE2 3.36Å; S1091-E1094 PolarHBondContact O-N 3.41Å; S1091-E1094 WeakPolarHBondContact OG-CG 3.47Å; S1091-E1094 PolarHBondContact OG-N 3.31Å; S1091-E1094 PolarHBondContact OG-OE2 3.13Å; S1091-C1095 PolarHBondContact O-N 3.23Å; S1091-C1095 PolarHBondContact O-SG 3.31Å | ||
| 1092 | R | 88.8 | Confident | 89.7 | Confident | 139 Ų | 139 | 57.6 Ų | 57.6 | 53% | 0.525 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.4 | -28.4 | 179.2 | -170.5 | 177.2 | 62.5 | -176.2 | -4.2 | 112.3 | R1096 | R1092-R1096 VanDerWaalsContact O-CD 3.3Å; R1092-R1096 WeakPolarHBondContact O-CD 3.38Å; R1092-R1096 WeakPolarHBondContact O-CG 3.06Å; R1092-R1096 PolarHBondContact O-N 3Å; R1092-R1096 VanDerWaalsContact O-N 3.08Å |
| 1093 | D | 91 | Very high | 90 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -86.8 | -32.7 | -177.1 | -61.7 | -63.4 | 0 | 0 | 0 | 112.7 | S1091 R1096 S1097 | S1091-D1093 PolarHBondContact O-N 3.41Å; S1091-D1093 VanDerWaalsContact O-N 3.11Å; D1093-R1096 PolarHBondContact O-N 3.16Å; D1093-R1096 VanDerWaalsContact OD1-CD 3.27Å; D1093-R1096 WeakPolarHBondContact OD1-CD 3.43Å; D1093-R1096 IonicContact OD1-CZ 3.15Å; D1093-R1096 IonicContact OD1-NE 2.72Å; D1093-R1096 IonicContact OD1-NH1 2.59Å; D1093-R1096 PolarHBondContact OD1-NH1 2.73Å; D1093-S1097 WeakPolarHBondContact O-CB 3.48Å; D1093-S1097 PolarHBondContact O-N 3.06Å |
| 1094 | E | 92.1 | Very high | 89.9 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 163.4 | -71.3 | 162.3 | 113.4 | 0 | 0 | 111.5 | L1090 S1091 R1096 S1097 L1098 | L1090-E1094 HydrophobicContact CB-CB 4.36Å; L1090-E1094 HydrophobicContact CD2-CB 4.45Å; S1091-E1094 WeakPolarHBondContact CA-OE2 3.38Å; S1091-E1094 WeakPolarHBondContact CB-OE2 3.33Å; S1091-E1094 PolarHBondContact N-OE2 3.36Å; S1091-E1094 PolarHBondContact O-N 3.41Å; S1091-E1094 WeakPolarHBondContact OG-CG 3.47Å; S1091-E1094 PolarHBondContact OG-N 3.31Å; S1091-E1094 PolarHBondContact OG-OE2 3.13Å; E1094-R1096 VanDerWaalsContact C-N 3.32Å; E1094-R1096 PolarHBondContact O-N 2.81Å; E1094-S1097 PolarHBondContact O-N 2.7Å; E1094-L1098 WeakPolarHBondContact O-CB 3.46Å; E1094-L1098 PolarHBondContact O-N 2.95Å |
| 1095 | C | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 174.3 | -65.9 | 0 | 0 | 0 | 0 | 112.2 | V903 L912 L1090 S1091 V1099 | V903-C1095 HydrophobicContact CG1-CB 3.79Å; V903-C1095 HydrophobicContact CG2-CB 4.47Å; L912-C1095 HydrophobicContact CD1-CB 4Å; L912-C1095 HydrophobicContact CD2-CB 4Å; L912-C1095 WeakPolarHBondContact CD2-SG 3.43Å; L1090-C1095 WeakPolarHBondContact CB-SG 3.42Å; S1091-C1095 PolarHBondContact O-N 3.23Å; S1091-C1095 PolarHBondContact O-SG 3.31Å; C1095-V1099 WeakPolarHBondContact O-CG2 3.48Å; C1095-V1099 PolarHBondContact O-N 3.21Å |
| 1096 | R | 91.7 | Very high | 89.8 | Confident | 111 Ų | 111 | 60.7 Ų | 60.7 | 42% | 0.419 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.5 | -46.2 | 175.1 | -74.6 | 157.8 | 170.1 | -176.9 | -11.4 | 111.3 | V903 R1092 D1093 E1094 V1099 A1100 | V903-R1096 HydrophobicContact CB-CG 4.28Å; V903-R1096 HydrophobicContact CG2-CG 4.24Å; R1092-R1096 VanDerWaalsContact O-CD 3.3Å; R1092-R1096 WeakPolarHBondContact O-CD 3.38Å; R1092-R1096 WeakPolarHBondContact O-CG 3.06Å; R1092-R1096 PolarHBondContact O-N 3Å; R1092-R1096 VanDerWaalsContact O-N 3.08Å; D1093-R1096 PolarHBondContact O-N 3.16Å; D1093-R1096 VanDerWaalsContact OD1-CD 3.27Å; D1093-R1096 WeakPolarHBondContact OD1-CD 3.43Å; D1093-R1096 IonicContact OD1-CZ 3.15Å; D1093-R1096 IonicContact OD1-NE 2.72Å; D1093-R1096 IonicContact OD1-NH1 2.59Å; D1093-R1096 PolarHBondContact OD1-NH1 2.73Å; E1094-R1096 VanDerWaalsContact C-N 3.32Å; E1094-R1096 PolarHBondContact O-N 2.81Å; R1096-V1099 PolarHBondContact O-N 2.84Å; R1096-A1100 WeakPolarHBondContact O-CB 3.33Å; R1096-A1100 PolarHBondContact O-N 2.91Å |
| 1097 | S | 92.9 | Very high | 89.8 | Confident | 72 Ų | 72 | 57.6 Ų | 57.6 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 177.6 | -171.3 | 0 | 0 | 0 | 0 | 111.4 | D1093 E1094 V1099 A1100 S1101 | D1093-S1097 WeakPolarHBondContact O-CB 3.48Å; D1093-S1097 PolarHBondContact O-N 3.06Å; E1094-S1097 PolarHBondContact O-N 2.7Å; S1097-V1099 VanDerWaalsContact C-N 3.34Å; S1097-V1099 PolarHBondContact O-N 3.37Å; S1097-A1100 PolarHBondContact O-N 2.88Å; S1097-A1100 VanDerWaalsContact O-N 3.13Å; S1097-S1101 PolarHBondContact O-N 3.01Å; S1097-S1101 PolarHBondContact O-OG 3.25Å |
| 1098 | L | 93 | Very high | 89.9 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 177.7 | 179.8 | 57.3 | 0 | 0 | 0 | 112.8 | L912 Q943 A946 H947 V950 I1084 L1090 E1094 L1102 | L912-L1098 HydrophobicContact CD1-CD2 4.27Å; Q943-L1098 HydrophobicContact CB-CD2 4.36Å; A946-L1098 HydrophobicContact CB-CD1 4.26Å; A946-L1098 HydrophobicContact CB-CD2 4.37Å; A946-L1098 HydrophobicContact CB-CG 4.31Å; H947-L1098 HydrophobicContact CB-CD1 3.78Å; H947-L1098 HydrophobicContact CB-CD2 4.47Å; V950-L1098 HydrophobicContact CG2-CD1 4.37Å; I1084-L1098 HydrophobicContact CD1-CD2 4.34Å; L1090-L1098 HydrophobicContact CD1-CD2 4.48Å; E1094-L1098 WeakPolarHBondContact O-CB 3.46Å; E1094-L1098 PolarHBondContact O-N 2.95Å; L1098-L1102 VanDerWaalsContact O-CB 3.27Å; L1098-L1102 WeakPolarHBondContact O-CB 3.44Å; L1098-L1102 PolarHBondContact O-N 3.29Å |
| 1099 | V | 91.9 | Very high | 89.7 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 174.9 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | M901 V903 L912 C1095 R1096 S1097 L1102 S1103 | M901-V1099 HydrophobicContact CB-CG1 3.83Å; M901-V1099 HydrophobicContact CG-CG1 3.73Å; M901-V1099 HydrophobicContact SD-CG1 3.65Å; M901-V1099 HydrophobicContact SD-CG2 4.45Å; V903-V1099 HydrophobicContact CG2-CB 4.21Å; V903-V1099 HydrophobicContact CG2-CG2 3.83Å; L912-V1099 HydrophobicContact CD1-CG2 3.95Å; C1095-V1099 WeakPolarHBondContact O-CG2 3.48Å; C1095-V1099 PolarHBondContact O-N 3.21Å; R1096-V1099 PolarHBondContact O-N 2.84Å; S1097-V1099 VanDerWaalsContact C-N 3.34Å; S1097-V1099 PolarHBondContact O-N 3.37Å; V1099-L1102 PolarHBondContact O-N 3.29Å; V1099-S1103 WeakPolarHBondContact O-CB 3.34Å; V1099-S1103 PolarHBondContact O-N 2.93Å |
| 1100 | A | 90.6 | Very high | 89.5 | Confident | 56 Ų | 56 | 49.6 Ų | 49.6 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1096 S1097 S1103 S1104 | R1096-A1100 WeakPolarHBondContact O-CB 3.33Å; R1096-A1100 PolarHBondContact O-N 2.91Å; S1097-A1100 PolarHBondContact O-N 2.88Å; S1097-A1100 VanDerWaalsContact O-N 3.13Å; A1100-S1103 WeakPolarHBondContact O-CB 3.5Å; A1100-S1103 PolarHBondContact O-N 3.13Å; A1100-S1103 VanDerWaalsContact O-N 3.12Å; A1100-S1103 PolarHBondContact O-OG 2.83Å; A1100-S1104 PolarHBondContact O-N 2.9Å |
| 1101 | S | 92 | Very high | 89.2 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 30% | 0.301 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 173.6 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | S1097 S1103 S1104 C1105 | S1097-S1101 PolarHBondContact O-N 3.01Å; S1097-S1101 PolarHBondContact O-OG 3.25Å; S1101-S1103 PolarHBondContact O-N 2.9Å; S1101-S1104 PolarHBondContact O-N 2.8Å; S1101-S1104 PolarHBondContact O-OG 2.83Å; S1101-C1105 PolarHBondContact O-SG 2.84Å |
| 1102 | L | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -34.6 | 174.6 | -171.2 | 68.9 | 0 | 0 | 0 | 111.4 | V941 A946 R949 V950 L1098 V1099 S1104 C1105 P1108 I1118 | V941-L1102 HydrophobicContact CG1-CD2 4.05Å; A946-L1102 HydrophobicContact CB-CD1 4.17Å; A946-L1102 HydrophobicContact CB-CD2 3.88Å; R949-L1102 HydrophobicContact CB-CD1 4.16Å; R949-L1102 HydrophobicContact CG-CD1 4.44Å; V950-L1102 HydrophobicContact CG2-CB 4.23Å; V950-L1102 HydrophobicContact CG2-CD1 4.32Å; L1098-L1102 VanDerWaalsContact O-CB 3.27Å; L1098-L1102 WeakPolarHBondContact O-CB 3.44Å; L1098-L1102 PolarHBondContact O-N 3.29Å; V1099-L1102 PolarHBondContact O-N 3.29Å; L1102-S1104 VanDerWaalsContact C-N 3.31Å; L1102-S1104 PolarHBondContact O-N 3.43Å; L1102-C1105 WeakPolarHBondContact O-CB 3.38Å; L1102-C1105 PolarHBondContact O-N 3.5Å; L1102-P1108 HydrophobicContact CD1-CB 4.39Å; L1102-P1108 WeakPolarHBondContact CD1-O 3.44Å; L1102-P1108 HydrophobicContact CG-CB 4.2Å; L1102-P1108 VanDerWaalsContact O-CB 3.22Å; L1102-P1108 WeakPolarHBondContact O-CB 3.12Å; L1102-I1118 HydrophobicContact CD2-CD1 4.06Å; L1102-I1118 HydrophobicContact CD2-CG1 4.21Å |
| 1103 | S | 88.8 | Confident | 88.2 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.6 | -25.7 | 177.8 | 84.8 | 0 | 0 | 0 | 0 | 113.7 | K895 H899 V1099 A1100 S1101 | K895-S1103 WeakPolarHBondContact CE-O 3Å; H899-S1103 PolarHBondContact CE1-O 2.88Å; H899-S1103 PolarHBondContact CE1-OG 2.91Å; H899-S1103 WeakPolarHBondContact ND1-CB 3.44Å; H899-S1103 PolarHBondContact ND1-OG 3.45Å; V1099-S1103 WeakPolarHBondContact O-CB 3.34Å; V1099-S1103 PolarHBondContact O-N 2.93Å; A1100-S1103 WeakPolarHBondContact O-CB 3.5Å; A1100-S1103 PolarHBondContact O-N 3.13Å; A1100-S1103 VanDerWaalsContact O-N 3.12Å; A1100-S1103 PolarHBondContact O-OG 2.83Å; S1101-S1103 PolarHBondContact O-N 2.9Å |
| 1104 | S | 88.4 | Confident | 87.5 | Confident | 82 Ų | 82 | 43.2 Ų | 43.2 | 57% | 0.573 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -75.5 | -29.2 | 175.7 | 70 | 0 | 0 | 0 | 0 | 112.5 | K895 A1100 S1101 L1102 | K895-S1104 PolarHBondContact NZ-O 2.89Å; A1100-S1104 PolarHBondContact O-N 2.9Å; S1101-S1104 PolarHBondContact O-N 2.8Å; S1101-S1104 PolarHBondContact O-OG 2.83Å; L1102-S1104 VanDerWaalsContact C-N 3.31Å; L1102-S1104 PolarHBondContact O-N 3.43Å |
| 1105 | C | 88.8 | Confident | 87 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.02 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -52.6 | 151.1 | -177.1 | -68.3 | 0 | 0 | 0 | 0 | 114.8 | K895 E953 S1101 L1102 P1108 | K895-C1105 VanDerWaalsContact CE-O 3.23Å; K895-C1105 WeakPolarHBondContact CE-O 3.45Å; K895-C1105 PolarHBondContact NZ-O 3.04Å; E953-C1105 WeakPolarHBondContact OE1-CB 3.2Å; E953-C1105 WeakPolarHBondContact OE2-CA 3.43Å; E953-C1105 WeakPolarHBondContact OE2-CB 3.26Å; S1101-C1105 PolarHBondContact O-SG 2.84Å; L1102-C1105 WeakPolarHBondContact O-CB 3.38Å; L1102-C1105 PolarHBondContact O-N 3.5Å; C1105-P1108 HydrophobicContact CB-CB 4.3Å |
| 1106 | Q | 84.1 | Confident | 86.6 | Confident | 117 Ų | 117 | 49 Ų | 49 | 55% | 0.547 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -71.3 | -43.5 | 175.9 | -61.5 | -176 | 5.1 | 0 | 0 | 112 | L880 E953 P1108 | L880-Q1106 WeakPolarHBondContact CD1-O 3.45Å; E953-Q1106 VanDerWaalsContact CD-N 3.3Å; E953-Q1106 PolarHBondContact OE1-N 2.87Å; E953-Q1106 VanDerWaalsContact OE1-N 3.08Å; E953-Q1106 PolarHBondContact OE2-N 3.03Å; Q1106-P1108 VanDerWaalsContact C-CD 3.47Å; Q1106-P1108 WeakPolarHBondContact O-CD 3.38Å |
| 1107 | L | 82.9 | Confident | 86.5 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 12% | 0.12 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -121.4 | 69.2 | 178 | -54.1 | 174.2 | 0 | 0 | 0 | 111.1 | V870 I872 L880 R949 E953 F1109 Q1110 | V870-L1107 HydrophobicContact CG1-CD2 4.46Å; I872-L1107 HydrophobicContact CD1-CD1 4.17Å; L880-L1107 HydrophobicContact CD1-CD2 3.85Å; L880-L1107 HydrophobicContact CD2-CD2 4.12Å; R949-L1107 PolarHBondContact NE-O 3.13Å; E953-L1107 PolarHBondContact OE1-N 3.11Å; L1107-F1109 PolarHBondContact O-N 2.94Å; L1107-F1109 VanDerWaalsContact O-N 3.1Å; L1107-Q1110 HydrophobicContact CB-CG 4.33Å |
| 1108 | P | 85.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -11 | -167.7 | 31.7 | -39.6 | 0 | 0 | 0 | 114.5 | I898 L1102 C1105 Q1106 S1117 | I898-P1108 HydrophobicContact CD1-CB 3.55Å; I898-P1108 HydrophobicContact CD1-CG 3.38Å; L1102-P1108 HydrophobicContact CD1-CB 4.39Å; L1102-P1108 WeakPolarHBondContact CD1-O 3.44Å; L1102-P1108 HydrophobicContact CG-CB 4.2Å; L1102-P1108 VanDerWaalsContact O-CB 3.22Å; L1102-P1108 WeakPolarHBondContact O-CB 3.12Å; C1105-P1108 HydrophobicContact CB-CB 4.3Å; Q1106-P1108 VanDerWaalsContact C-CD 3.47Å; Q1106-P1108 WeakPolarHBondContact O-CD 3.38Å; P1108-S1117 PolarHBondContact O-OG 2.73Å |
| 1109 | F | 85.2 | Confident | 85.8 | Confident | 17 Ų | 17 | 42.8 Ų | 42.8 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -5.1 | -174.8 | -58.7 | -68.5 | 0 | 0 | 0 | 115 | V882 I884 F893 I898 L1107 P1116 S1117 I1118 | V882-F1109 HydrophobicContact CB-CD2 4.32Å; V882-F1109 HydrophobicContact CB-CG 4.33Å; V882-F1109 HydrophobicContact CG2-CB 3.97Å; V882-F1109 HydrophobicContact CG2-CD2 3.41Å; V882-F1109 VanDerWaalsContact CG2-CD2 3.41Å; V882-F1109 HydrophobicContact CG2-CE2 4Å; V882-F1109 HydrophobicContact CG2-CG 3.72Å; I884-F1109 HydrophobicContact CD1-CD1 4.47Å; F893-F1109 HydrophobicContact CB-CD1 4.49Å; F893-F1109 HydrophobicContact CB-CE1 3.64Å; F893-F1109 HydrophobicContact CB-CZ 3.81Å; F893-F1109 HydrophobicContact CD1-CE1 4.27Å; F893-F1109 HydrophobicContact CG-CE1 4.28Å; I898-F1109 HydrophobicContact CD1-CD1 4.41Å; I898-F1109 HydrophobicContact CD1-CE1 3.74Å; I898-F1109 HydrophobicContact CD1-CE2 4.49Å; I898-F1109 HydrophobicContact CD1-CZ 3.8Å; I898-F1109 HydrophobicContact CG1-CE1 4.25Å; I898-F1109 HydrophobicContact CG1-CZ 4.32Å; L1107-F1109 PolarHBondContact O-N 2.94Å; L1107-F1109 VanDerWaalsContact O-N 3.1Å; F1109-P1116 WeakPolarHBondContact O-CA 3.37Å; F1109-S1117 WeakPolarHBondContact CA-OG 3.44Å; F1109-S1117 PolarHBondContact O-N 2.56Å; F1109-S1117 PolarHBondContact O-OG 2.92Å; F1109-I1118 HydrophobicContact CD1-CD1 4.24Å; F1109-I1118 HydrophobicContact CE1-CD1 4.41Å |
| 1110 | Q | 86.1 | Confident | 85.2 | Confident | 80 Ų | 80 | 43 Ų | 43 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | B | Isolated β-bridge | trans | -140.5 | 148 | -178.2 | 65.3 | -177.9 | 9.4 | 0 | 0 | 112.3 | R949 L1107 R1115 S1117 | R949-Q1110 WeakPolarHBondContact CB-O 3.41Å; R949-Q1110 WeakPolarHBondContact CD-O 3.31Å; R949-Q1110 VanDerWaalsContact CG-O 3.27Å; R949-Q1110 WeakPolarHBondContact CG-O 3.42Å; L1107-Q1110 HydrophobicContact CB-CG 4.33Å; Q1110-R1115 CarbonylContact C-O 3.57Å; Q1110-R1115 VanDerWaalsContact CA-O 3.24Å; Q1110-R1115 WeakPolarHBondContact CA-O 3.45Å; Q1110-S1117 PolarHBondContact N-OG 3.26Å |
| 1111 | C | 85.4 | Confident | 84.7 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | trans | -78.8 | -178.7 | 174.8 | 83.5 | 0 | 0 | 0 | 0 | 112.9 | A945 E948 H1113 G1114 R1115 | A945-C1111 HydrophobicContact CB-CB 3.86Å; A945-C1111 WeakPolarHBondContact O-CB 3.5Å; E948-C1111 HydrophobicContact CB-CB 4.04Å; E948-C1111 WeakPolarHBondContact OE2-CB 3.04Å; E948-C1111 PolarHBondContact OE2-SG 3.41Å; C1111-H1113 PolarHBondContact O-N 2.79Å; C1111-H1113 VanDerWaalsContact O-N 3.07Å; C1111-H1113 PolarHBondContact SG-N 2.87Å; C1111-G1114 PolarHBondContact O-N 3.36Å; C1111-R1115 PolarHBondContact N-O 3.3Å | ||
| 1112 | A | 79.5 | Confident | 84 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 17% | 0.174 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -24.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | E948 L952 A1076 | E948-A1112 HydrophobicContact CB-CB 4.35Å; L952-A1112 HydrophobicContact CB-CB 4.27Å; L952-A1112 HydrophobicContact CD2-CB 3.73Å; A1076-A1112 HydrophobicContact CB-CB 4.02Å |
| 1113 | H | 80.1 | Confident | 83.3 | Confident | 95 Ų | 95 | 44.8 Ų | 44.8 | 44% | 0.44 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 11.4 | -178.7 | -49.1 | 99 | 0 | 0 | 0 | 113.8 | E948 C1111 R1115 | E948-H1113 IonicContact OE1-CE1 3.75Å; E948-H1113 PolarHBondContact OE1-CE1 2.82Å; E948-H1113 IonicContact OE1-ND1 3.92Å; E948-H1113 PolarHBondContact OE1-ND1 2.79Å; E948-H1113 IonicContact OE2-CE1 2.75Å; E948-H1113 IonicContact OE2-ND1 3.88Å; E948-H1113 PolarHBondContact OE2-ND1 3.46Å; C1111-H1113 PolarHBondContact O-N 2.79Å; C1111-H1113 VanDerWaalsContact O-N 3.07Å; C1111-H1113 PolarHBondContact SG-N 2.87Å; H1113-R1115 VanDerWaalsContact C-N 3.32Å; H1113-R1115 PolarHBondContact O-N 3.37Å |
| 1114 | G | 77.1 | Confident | 82.5 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 50% | 0.495 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 75.2 | 9.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | C1111 | C1111-G1114 PolarHBondContact O-N 3.36Š|
| 1115 | R | 80.5 | Confident | 81.5 | Confident | 139 Ų | 139 | 47.6 Ų | 47.6 | 53% | 0.525 | 26% | 0.256 | S | S | . | . | trans | -73 | 142.9 | 170.9 | -56.7 | 179 | -179.7 | 167.9 | 2.2 | 109.7 | Q1110 C1111 H1113 S1117 | Q1110-R1115 CarbonylContact C-O 3.57Å; Q1110-R1115 VanDerWaalsContact CA-O 3.24Å; Q1110-R1115 WeakPolarHBondContact CA-O 3.45Å; C1111-R1115 PolarHBondContact N-O 3.3Å; H1113-R1115 VanDerWaalsContact C-N 3.32Å; H1113-R1115 PolarHBondContact O-N 3.37Å; R1115-S1117 PolarHBondContact O-N 3.19Å | ||
| 1116 | P | 83.8 | Confident | 80.2 | Confident | 85 Ų | 85 | 51.9 Ų | 51.9 | 55% | 0.552 | 28% | 0.275 | S | S | * | . | B | Isolated β-bridge | trans | -63.8 | 129.8 | 177 | 27.2 | -34.3 | 0 | 0 | 0 | 110.8 | F1109 | F1109-P1116 WeakPolarHBondContact O-CA 3.37Å |
| 1117 | S | 88.1 | Confident | 79.1 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -85.5 | -27.2 | 176.5 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | V941 D942 P1108 F1109 Q1110 R1115 | V941-S1117 CarbonylContact C-O 3.52Å; V941-S1117 VanDerWaalsContact CA-O 3.26Å; V941-S1117 WeakPolarHBondContact CA-O 3.44Å; V941-S1117 WeakPolarHBondContact CG1-O 3.46Å; D942-S1117 PolarHBondContact N-O 2.84Å; P1108-S1117 PolarHBondContact O-OG 2.73Å; F1109-S1117 WeakPolarHBondContact CA-OG 3.44Å; F1109-S1117 PolarHBondContact O-N 2.56Å; F1109-S1117 PolarHBondContact O-OG 2.92Å; Q1110-S1117 PolarHBondContact N-OG 3.26Å; R1115-S1117 PolarHBondContact O-N 3.19Å |
| 1118 | I | 88.5 | Confident | 77.7 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137.3 | -176.1 | -53.5 | 177.2 | 0 | 0 | 0 | 109.7 | I898 M901 V939 L940 V941 L1102 F1109 | I898-I1118 HydrophobicContact CD1-CD1 4.02Å; I898-I1118 HydrophobicContact CG1-CD1 4.42Å; M901-I1118 HydrophobicContact CE-CG2 4.46Å; V939-I1118 HydrophobicContact CB-CG2 4.16Å; V939-I1118 HydrophobicContact CG2-CG2 3.98Å; L940-I1118 CarbonylContact O-C 3.6Å; L940-I1118 WeakPolarHBondContact O-CA 3.4Å; V941-I1118 HydrophobicContact CG1-CG1 4.45Å; V941-I1118 HydrophobicContact CG2-CG1 4.36Å; L1102-I1118 HydrophobicContact CD2-CD1 4.06Å; L1102-I1118 HydrophobicContact CD2-CG1 4.21Å; F1109-I1118 HydrophobicContact CD1-CD1 4.24Å; F1109-I1118 HydrophobicContact CE1-CD1 4.41Å |
| 1119 | V | 84.1 | Confident | 76.1 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 39% | 0.394 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125.3 | 179.4 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | V939 L940 | V939-V1119 CarbonylContact C-O 3.58Å; V939-V1119 VanDerWaalsContact CA-O 3.3Å; V939-V1119 WeakPolarHBondContact CA-O 3.31Å; V939-V1119 WeakPolarHBondContact CB-O 3.31Å; L940-V1119 PolarHBondContact N-O 3.16Å; L940-V1119 PolarHBondContact O-N 2.76Å |
| 1120 | P | 79.9 | Confident | 74.3 | Confident | 10 Ų | 10 | 68.5 Ų | 68.5 | 7% | 0.065 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 136.7 | 172.5 | 28.8 | -32.8 | 0 | 0 | 0 | 111.8 | I884 N886 F893 L937 V939 | I884-P1120 HydrophobicContact CB-CG 4.1Å; I884-P1120 HydrophobicContact CG2-CG 3.86Å; N886-P1120 HydrophobicContact CB-CB 4.44Å; N886-P1120 HydrophobicContact CB-CG 4.21Å; F893-P1120 HydrophobicContact CE2-CB 4.14Å; F893-P1120 HydrophobicContact CE2-CG 4.03Å; F893-P1120 HydrophobicContact CZ-CB 3.98Å; F893-P1120 HydrophobicContact CZ-CG 4.31Å; L937-P1120 HydrophobicContact CD1-CB 4.35Å; V939-P1120 HydrophobicContact CG1-CB 4.49Å |
| 1121 | L | 79.1 | Confident | 72.4 | Confident | 78 Ų | 78 | 72.8 Ų | 72.8 | 41% | 0.408 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -63.9 | 169.5 | -65 | -174.5 | 0 | 0 | 0 | 111.2 | N886 L938 L940 | N886-L1121 PolarHBondContact ND2-O 3.38Å; N886-L1121 PolarHBondContact OD1-O 3.1Å; L938-L1121 HydrophobicContact CD2-CB 4.48Å; L938-L1121 HydrophobicContact CD2-CD1 4.03Å; L938-L1121 HydrophobicContact CG-CD1 4.3Å; L938-L1121 PolarHBondContact O-N 3.37Å; L940-L1121 HydrophobicContact CD1-CD1 4.13Å; L940-L1121 HydrophobicContact CD1-CD2 4.03Å; L940-L1121 HydrophobicContact CD1-CG 4.37Å; L940-L1121 HydrophobicContact CD2-CD1 4Å; L940-L1121 HydrophobicContact CG-CD1 3.74Å; L940-L1121 HydrophobicContact CG-CD2 4.13Å; L940-L1121 HydrophobicContact CG-CG 3.96Å |
| 1122 | V | 77.9 | Confident | 70.7 | Confident | 47 Ų | 47 | 80.7 Ų | 80.7 | 29% | 0.285 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 142.9 | -167.9 | 63 | 0 | 0 | 0 | 0 | 111.4 | L938 L1127 | L938-V1122 HydrophobicContact CB-CG1 4.01Å; L938-V1122 HydrophobicContact CD2-CG1 4.06Å; L938-V1122 PolarHBondContact N-O 3.49Å; L938-V1122 PolarHBondContact O-N 3.37Å; V1122-L1127 HydrophobicContact CG2-CD2 3.93Å; V1122-L1127 HydrophobicContact CG2-CG 4.24Å |
| 1123 | D | 76.1 | Confident | 69.2 | Low | 13 Ų | 13 | 87.6 Ų | 87.6 | 7% | 0.07 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 117.1 | 167 | -169.2 | -33.2 | 0 | 0 | 0 | 108.9 | Y891 N936 L937 L1125 H1126 | Y891-D1123 WeakPolarHBondContact OH-CB 3.47Å; Y891-D1123 PolarHBondContact OH-OD2 3.08Å; N936-D1123 VanDerWaalsContact ND2-CG 3.35Å; N936-D1123 PolarHBondContact ND2-OD1 3.24Å; N936-D1123 PolarHBondContact ND2-OD2 2.94Å; N936-D1123 CarbonylContact O-C 3.08Å; N936-D1123 WeakPolarHBondContact O-CA 3.32Å; L937-D1123 HydrophobicContact CD1-CB 4.19Å; D1123-L1125 VanDerWaalsContact C-N 3.26Å; D1123-L1125 PolarHBondContact O-N 3.05Å; D1123-L1125 WeakPolarHBondContact OD1-CB 3.17Å; D1123-L1125 PolarHBondContact OD1-N 2.93Å; D1123-H1126 PolarHBondContact O-N 3.06Å; D1123-H1126 VanDerWaalsContact O-N 3.12Å; D1123-H1126 IonicContact OD2-CD2 2.66Å |
| 1124 | I | 72.2 | Confident | 67.6 | Low | 70 Ų | 70 | 91.7 Ų | 91.7 | 36% | 0.359 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -65.3 | -32.7 | -173.5 | -60.8 | 171.5 | 0 | 0 | 0 | 110.3 | L915 N936 H1126 L1127 | L915-I1124 HydrophobicContact CD2-CD1 3.61Å; N936-I1124 WeakPolarHBondContact O-CB 3.47Å; N936-I1124 WeakPolarHBondContact O-CG1 3.35Å; N936-I1124 PolarHBondContact O-N 2.94Å; I1124-H1126 PolarHBondContact O-N 3.08Å; I1124-H1126 VanDerWaalsContact O-N 3.16Å; I1124-L1127 HydrophobicContact CG2-CD1 4.38Å; I1124-L1127 WeakPolarHBondContact O-CB 3.46Å; I1124-L1127 PolarHBondContact O-N 3.48Å; I1124-L1127 VanDerWaalsContact O-N 3.12Å |
| 1125 | L | 65.9 | Low | 66.3 | Low | 84 Ų | 84 | 98.4 Ų | 98.4 | 44% | 0.44 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -70.2 | -9.8 | 177.8 | -61.1 | 176.9 | 0 | 0 | 0 | 113.4 | N936 D1123 | N936-L1125 HydrophobicContact CB-CD1 3.55Å; N936-L1125 HydrophobicContact CB-CG 3.73Å; D1123-L1125 VanDerWaalsContact C-N 3.26Å; D1123-L1125 PolarHBondContact O-N 3.05Å; D1123-L1125 WeakPolarHBondContact OD1-CB 3.17Å; D1123-L1125 PolarHBondContact OD1-N 2.93Å |
| 1126 | H | 61.8 | Low | 65 | Low | 93 Ų | 93 | 101 Ų | 101 | 43% | 0.431 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -97.8 | -4.5 | 174.5 | -79.7 | -84.9 | 0 | 0 | 0 | 113.7 | D1123 I1124 | D1123-H1126 PolarHBondContact O-N 3.06Å; D1123-H1126 VanDerWaalsContact O-N 3.12Å; D1123-H1126 IonicContact OD2-CD2 2.66Å; I1124-H1126 PolarHBondContact O-N 3.08Å; I1124-H1126 VanDerWaalsContact O-N 3.16Å |
| 1127 | L | 61.8 | Low | 63.5 | Low | 102 Ų | 102 | 101.2 Ų | 101.2 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -74 | -37.7 | 178.6 | -68.2 | 173 | 0 | 0 | 0 | 113.1 | V1122 I1124 K1129 | V1122-L1127 HydrophobicContact CG2-CD2 3.93Å; V1122-L1127 HydrophobicContact CG2-CG 4.24Å; I1124-L1127 HydrophobicContact CG2-CD1 4.38Å; I1124-L1127 WeakPolarHBondContact O-CB 3.46Å; I1124-L1127 PolarHBondContact O-N 3.48Å; I1124-L1127 VanDerWaalsContact O-N 3.12Å; L1127-K1129 PolarHBondContact O-N 2.83Å; L1127-K1129 VanDerWaalsContact O-N 3.08Å |
| 1128 | D | 53.9 | Low | 62.8 | Low | 115 Ų | 115 | 105.8 Ų | 105.8 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -71.5 | -4.7 | -171 | -67.9 | -46.9 | 0 | 0 | 0 | 115.2 | ||
| 1129 | K | 50.9 | Low | 61.9 | Low | 176 Ų | 176 | 110.9 Ų | 110.9 | 77% | 0.765 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -88.3 | -11.3 | -178.3 | -70.4 | -170.2 | 175.7 | -175.8 | 0 | 114.9 | L1127 | L1127-K1129 PolarHBondContact O-N 2.83Å; L1127-K1129 VanDerWaalsContact O-N 3.08Å |
| 1130 | D | 46.8 | Very low | 61.2 | Low | 114 Ų | 114 | 114.2 Ų | 114.2 | 61% | 0.61 | 56% | 0.562 | S | S | * | * | trans | -109.7 | 44 | 176.9 | -88.9 | -50.2 | 0 | 0 | 0 | 112.2 | K1132 | D1130-K1132 PolarHBondContact O-N 3.32Š| ||
| 1131 | Q | 47.9 | Very low | 60.7 | Low | 169 Ų | 169 | 120.3 Ų | 120.3 | 79% | 0.79 | 59% | 0.588 | S | S | * | * | trans | -71.1 | 66.1 | 162.2 | -70 | -163.3 | 15.8 | 0 | 0 | 111.5 | ||||
| 1132 | K | 48.8 | Very low | 60.2 | Low | 168 Ų | 168 | 121.3 Ų | 121.3 | 73% | 0.73 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -81.2 | 149.7 | 144.5 | -73.3 | 177.2 | 177.6 | 170.5 | 0 | 107.7 | D1130 F1134 | D1130-K1132 PolarHBondContact O-N 3.32Å; K1132-F1134 WeakPolarHBondContact O-CD2 3.48Å; K1132-F1134 PolarHBondContact O-N 2.82Å |
| 1133 | D | 49.2 | Very low | 60.3 | Low | 167 Ų | 167 | 127.8 Ų | 127.8 | 89% | 0.893 | 61% | 0.612 | S | S | * | * | trans | -58.6 | 89.2 | -175 | -67.6 | -77.7 | 0 | 0 | 0 | 113.8 | Q1135 | D1133-Q1135 PolarHBondContact O-N 2.9Š| ||
| 1134 | F | 45.5 | Very low | 60.3 | Low | 180 Ų | 180 | 136 Ų | 136 | 79% | 0.789 | 64% | 0.643 | S | S | * | * | trans | -65.3 | 104.2 | 162.7 | -77.8 | -81.3 | 0 | 0 | 0 | 108 | K1132 K1136 | K1132-F1134 WeakPolarHBondContact O-CD2 3.48Å; K1132-F1134 PolarHBondContact O-N 2.82Å; F1134-K1136 PolarHBondContact O-N 3.07Å | ||
| 1135 | Q | 49.9 | Very low | 60.3 | Low | 189 Ų | 189 | 138.3 Ų | 138.3 | 88% | 0.883 | 65% | 0.653 | S | S | * | * | trans | -48.1 | 112.9 | 166.9 | -77.8 | -170.5 | -13.3 | 0 | 0 | 108.6 | D1133 P1137 | D1133-Q1135 PolarHBondContact O-N 2.9Å; Q1135-P1137 VanDerWaalsContact O-N 3.16Å | ||
| 1136 | K | 52.7 | Low | 60.7 | Low | 194 Ų | 194 | 140.6 Ų | 140.6 | 84% | 0.843 | 66% | 0.657 | S | S | * | * | trans | -50.3 | 125 | -178 | -70.1 | 178.3 | 178.5 | 175.2 | 0 | 108.5 | F1134 N1138 | F1134-K1136 PolarHBondContact O-N 3.07Å; K1136-N1138 PolarHBondContact O-N 2.92Å; K1136-N1138 VanDerWaalsContact O-N 3.14Å | ||
| 1137 | P | 52.4 | Low | 61.3 | Low | 90 Ų | 90 | 144.6 Ų | 144.6 | 58% | 0.584 | 67% | 0.668 | S | S | * | * | trans | -56.2 | 125.9 | -174 | 22.2 | -33.3 | 0 | 0 | 0 | 108.7 | Q1135 L1139 L1142 | Q1135-P1137 VanDerWaalsContact O-N 3.16Å; P1137-L1139 WeakPolarHBondContact O-CG 3.44Å; P1137-L1139 PolarHBondContact O-N 2.77Å; P1137-L1142 HydrophobicContact CB-CD1 4.48Å | ||
| 1138 | N | 73.1 | Confident | 61.7 | Low | 96 Ų | 96 | 141.9 Ų | 141.9 | 51% | 0.513 | 66% | 0.66 | S | S | . | * | trans | -67.5 | 94.4 | -169.6 | -174.6 | -40.8 | 0 | 0 | 0 | 110.2 | K1136 Q1140 K1141 L1142 | K1136-N1138 PolarHBondContact O-N 2.92Å; K1136-N1138 VanDerWaalsContact O-N 3.14Å; N1138-Q1140 PolarHBondContact O-N 3.5Å; N1138-Q1140 WeakPolarHBondContact OD1-CB 3.48Å; N1138-Q1140 PolarHBondContact OD1-N 3.48Å; N1138-K1141 HydrophobicContact CB-CB 4.02Å; N1138-K1141 WeakPolarHBondContact O-CA 3.32Å; N1138-K1141 WeakPolarHBondContact O-CB 3.31Å; N1138-K1141 PolarHBondContact O-N 3.42Å; N1138-K1141 PolarHBondContact OD1-N 3.06Å; N1138-L1142 PolarHBondContact O-N 3.16Å | ||
| 1139 | L | 70.4 | Confident | 62.5 | Low | 108 Ų | 108 | 144.5 Ų | 144.5 | 57% | 0.565 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -63.7 | -27.1 | -174.6 | -62.2 | -179 | 0 | 0 | 0 | 112.2 | P1137 R1143 | P1137-L1139 WeakPolarHBondContact O-CG 3.44Å; P1137-L1139 PolarHBondContact O-N 2.77Å; L1139-R1143 VanDerWaalsContact O-CB 3.27Å; L1139-R1143 WeakPolarHBondContact O-CB 3.35Å; L1139-R1143 WeakPolarHBondContact O-CG 3.4Å; L1139-R1143 PolarHBondContact O-N 2.93Å |
| 1140 | Q | 68.3 | Low | 63.5 | Low | 135 Ų | 135 | 141.4 Ų | 141.4 | 63% | 0.631 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.9 | -42.7 | 171.2 | -69.3 | -174.2 | -9.2 | 0 | 0 | 111.4 | N1138 R1143 R1144 | N1138-Q1140 PolarHBondContact O-N 3.5Å; N1138-Q1140 WeakPolarHBondContact OD1-CB 3.48Å; N1138-Q1140 PolarHBondContact OD1-N 3.48Å; Q1140-R1143 PolarHBondContact O-N 2.89Å; Q1140-R1144 WeakPolarHBondContact O-CB 3.32Å; Q1140-R1144 VanDerWaalsContact O-CG 3.27Å; Q1140-R1144 WeakPolarHBondContact O-CG 3.47Å; Q1140-R1144 PolarHBondContact O-N 2.82Å |
| 1141 | K | 69.9 | Low | 64.7 | Low | 138 Ų | 138 | 142.2 Ų | 142.2 | 60% | 0.6 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.2 | -43.9 | 175.9 | -170.9 | 177.2 | 179.4 | -179.5 | 0 | 111.4 | N1138 R1144 M1145 | N1138-K1141 HydrophobicContact CB-CB 4.02Å; N1138-K1141 WeakPolarHBondContact O-CA 3.32Å; N1138-K1141 WeakPolarHBondContact O-CB 3.31Å; N1138-K1141 PolarHBondContact O-N 3.42Å; N1138-K1141 PolarHBondContact OD1-N 3.06Å; K1141-R1144 PolarHBondContact O-N 3.28Å; K1141-M1145 HydrophobicContact CG-SD 4.29Å; K1141-M1145 WeakPolarHBondContact O-CG 3.28Å; K1141-M1145 PolarHBondContact O-N 2.99Å |
| 1142 | L | 69.9 | Low | 65.5 | Low | 100 Ų | 100 | 143.2 Ų | 143.2 | 52% | 0.524 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -62.7 | -45.8 | 175 | -94.5 | 160.4 | 0 | 0 | 0 | 112.4 | P1137 N1138 R1144 M1145 Y1146 | P1137-L1142 HydrophobicContact CB-CD1 4.48Å; N1138-L1142 PolarHBondContact O-N 3.16Å; L1142-R1144 VanDerWaalsContact C-N 3.34Å; L1142-R1144 PolarHBondContact O-N 2.63Å; L1142-M1145 PolarHBondContact O-N 2.88Å; L1142-Y1146 PolarHBondContact O-N 3.42Å |
| 1143 | R | 78.8 | Confident | 65.6 | Low | 183 Ų | 183 | 136.8 Ų | 136.8 | 69% | 0.691 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64 | -35.4 | 175.2 | -73.7 | 172.7 | 177.8 | -175.3 | -0.9 | 112.9 | L1139 Q1140 R1147 | L1139-R1143 VanDerWaalsContact O-CB 3.27Å; L1139-R1143 WeakPolarHBondContact O-CB 3.35Å; L1139-R1143 WeakPolarHBondContact O-CG 3.4Å; L1139-R1143 PolarHBondContact O-N 2.93Å; Q1140-R1143 PolarHBondContact O-N 2.89Å; R1143-R1147 PolarHBondContact O-N 2.89Å |
| 1144 | R | 75.7 | Confident | 65.7 | Low | 186 Ų | 186 | 136.9 Ų | 136.9 | 70% | 0.702 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.6 | -41.1 | 172.1 | -75.7 | 176.7 | -176.2 | -170.2 | 2.6 | 111.9 | Q1140 K1141 L1142 A1148 | Q1140-R1144 WeakPolarHBondContact O-CB 3.32Å; Q1140-R1144 VanDerWaalsContact O-CG 3.27Å; Q1140-R1144 WeakPolarHBondContact O-CG 3.47Å; Q1140-R1144 PolarHBondContact O-N 2.82Å; K1141-R1144 PolarHBondContact O-N 3.28Å; L1142-R1144 VanDerWaalsContact C-N 3.34Å; L1142-R1144 PolarHBondContact O-N 2.63Å; R1144-A1148 WeakPolarHBondContact O-CB 3.21Å; R1144-A1148 PolarHBondContact O-N 3.01Å |
| 1145 | M | 72.6 | Confident | 65.6 | Low | 117 Ų | 117 | 141.1 Ų | 141.1 | 58% | 0.576 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.3 | -38.9 | 175.9 | -73.6 | 176.3 | 63.4 | 0 | 0 | 112.2 | K1141 L1142 A1148 W1149 | K1141-M1145 HydrophobicContact CG-SD 4.29Å; K1141-M1145 WeakPolarHBondContact O-CG 3.28Å; K1141-M1145 PolarHBondContact O-N 2.99Å; L1142-M1145 PolarHBondContact O-N 2.88Å; M1145-A1148 PolarHBondContact O-N 2.81Å; M1145-W1149 WeakPolarHBondContact O-CB 3.49Å; M1145-W1149 PolarHBondContact O-N 3.14Å |
| 1146 | Y | 74.3 | Confident | 66.3 | Low | 132 Ų | 132 | 138.8 Ų | 138.8 | 52% | 0.518 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.5 | -50.2 | 173.9 | -177.3 | -103.4 | 0 | 0 | 0 | 111.6 | L1142 A1148 W1149 E1150 | L1142-Y1146 PolarHBondContact O-N 3.42Å; Y1146-A1148 VanDerWaalsContact C-N 3.31Å; Y1146-A1148 PolarHBondContact O-N 3.23Å; Y1146-W1149 HydrophobicContact CD2-CE3 4.21Å; Y1146-W1149 HydrophobicContact CE2-CE3 4.08Å; Y1146-W1149 HydrophobicContact CE2-CZ3 4.06Å; Y1146-W1149 CarbonylContact O-C 3.57Å; Y1146-W1149 WeakPolarHBondContact O-CA 3.33Å; Y1146-W1149 WeakPolarHBondContact O-CB 3.35Å; Y1146-W1149 PolarHBondContact O-N 3.31Å; Y1146-E1150 HydrophobicContact CD1-CG 4.23Å; Y1146-E1150 WeakPolarHBondContact CD1-OE2 3.29Å; Y1146-E1150 HydrophobicContact CE1-CG 3.92Å; Y1146-E1150 VanDerWaalsContact CE1-OE1 3.31Å; Y1146-E1150 WeakPolarHBondContact CE1-OE1 3.43Å; Y1146-E1150 WeakPolarHBondContact CE1-OE2 3.36Å; Y1146-E1150 PolarHBondContact O-N 3.2Å |
| 1147 | R | 73.7 | Confident | 67.1 | Low | 177 Ų | 177 | 135.8 Ų | 135.8 | 67% | 0.668 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.2 | -36.1 | 175.1 | -75.5 | -176.2 | 174.2 | -172.3 | -2.7 | 113.5 | R1143 W1149 E1150 L1151 | R1143-R1147 PolarHBondContact O-N 2.89Å; R1147-W1149 VanDerWaalsContact C-N 3.3Å; R1147-E1150 WeakPolarHBondContact CA-OE2 3.45Å; R1147-E1150 PolarHBondContact O-N 3.21Å; R1147-L1151 WeakPolarHBondContact O-CB 3.13Å; R1147-L1151 WeakPolarHBondContact O-CD1 3.1Å; R1147-L1151 WeakPolarHBondContact O-CG 3.14Å; R1147-L1151 PolarHBondContact O-N 2.85Å |
| 1148 | A | 71.8 | Confident | 67.9 | Low | 45 Ų | 45 | 138.4 Ų | 138.4 | 37% | 0.372 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67 | -32.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1144 M1145 Y1146 Y1152 | R1144-A1148 WeakPolarHBondContact O-CB 3.21Å; R1144-A1148 PolarHBondContact O-N 3.01Å; M1145-A1148 PolarHBondContact O-N 2.81Å; Y1146-A1148 VanDerWaalsContact C-N 3.31Å; Y1146-A1148 PolarHBondContact O-N 3.23Å; A1148-Y1152 WeakPolarHBondContact O-CB 3.43Å; A1148-Y1152 VanDerWaalsContact O-CD2 3.3Å; A1148-Y1152 WeakPolarHBondContact O-CD2 3.42Å; A1148-Y1152 PolarHBondContact O-N 2.92Å |
| 1149 | W | 69.9 | Low | 67.6 | Low | 170 Ų | 170 | 140.9 Ų | 140.9 | 64% | 0.644 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.3 | -38.4 | 173.5 | 179.4 | 71.5 | 0 | 0 | 0 | 112.3 | M1145 Y1146 R1147 L1151 G1153 | M1145-W1149 WeakPolarHBondContact O-CB 3.49Å; M1145-W1149 PolarHBondContact O-N 3.14Å; Y1146-W1149 HydrophobicContact CD2-CE3 4.21Å; Y1146-W1149 HydrophobicContact CE2-CE3 4.08Å; Y1146-W1149 HydrophobicContact CE2-CZ3 4.06Å; Y1146-W1149 CarbonylContact O-C 3.57Å; Y1146-W1149 WeakPolarHBondContact O-CA 3.33Å; Y1146-W1149 WeakPolarHBondContact O-CB 3.35Å; Y1146-W1149 PolarHBondContact O-N 3.31Å; R1147-W1149 VanDerWaalsContact C-N 3.3Å; W1149-L1151 VanDerWaalsContact C-N 3.34Å; W1149-L1151 PolarHBondContact O-N 3.48Å; W1149-G1153 WeakPolarHBondContact O-CA 3.46Å; W1149-G1153 PolarHBondContact O-N 2.67Å |
| 1150 | E | 72.4 | Confident | 67.4 | Low | 111 Ų | 111 | 142.9 Ų | 142.9 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -60.2 | -42.4 | 170.5 | -67.7 | 175 | 117.7 | 0 | 0 | 111.9 | Y1146 R1147 | Y1146-E1150 HydrophobicContact CD1-CG 4.23Å; Y1146-E1150 WeakPolarHBondContact CD1-OE2 3.29Å; Y1146-E1150 HydrophobicContact CE1-CG 3.92Å; Y1146-E1150 VanDerWaalsContact CE1-OE1 3.31Å; Y1146-E1150 WeakPolarHBondContact CE1-OE1 3.43Å; Y1146-E1150 WeakPolarHBondContact CE1-OE2 3.36Å; Y1146-E1150 PolarHBondContact O-N 3.2Å; R1147-E1150 WeakPolarHBondContact CA-OE2 3.45Å; R1147-E1150 PolarHBondContact O-N 3.21Å |
| 1151 | L | 70.9 | Confident | 67.3 | Low | 132 Ų | 132 | 143.5 Ų | 143.5 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -79.9 | -24.3 | -175.7 | -70.6 | 168.9 | 0 | 0 | 0 | 114.8 | R1147 W1149 | R1147-L1151 WeakPolarHBondContact O-CB 3.13Å; R1147-L1151 WeakPolarHBondContact O-CD1 3.1Å; R1147-L1151 WeakPolarHBondContact O-CG 3.14Å; R1147-L1151 PolarHBondContact O-N 2.85Å; W1149-L1151 VanDerWaalsContact C-N 3.34Å; W1149-L1151 PolarHBondContact O-N 3.48Å |
| 1152 | Y | 66.4 | Low | 67.1 | Low | 189 Ų | 189 | 143.9 Ų | 143.9 | 74% | 0.741 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -131.7 | 1.3 | -173.1 | -57.2 | -68.6 | 0 | 0 | 0 | 114.8 | A1148 | A1148-Y1152 WeakPolarHBondContact O-CB 3.43Å; A1148-Y1152 VanDerWaalsContact O-CD2 3.3Å; A1148-Y1152 WeakPolarHBondContact O-CD2 3.42Å; A1148-Y1152 PolarHBondContact O-N 2.92Å |
| 1153 | G | 50.9 | Low | 66.9 | Low | 34 Ų | 34 | 147.2 Ų | 147.2 | 35% | 0.351 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -82.1 | -13.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115.9 | W1149 | W1149-G1153 WeakPolarHBondContact O-CA 3.46Å; W1149-G1153 PolarHBondContact O-N 2.67Å |
| 1154 | N | 49.4 | Very low | 65.9 | Low | 168 Ų | 168 | 144.3 Ų | 144.3 | 90% | 0.898 | 65% | 0.654 | S | S | * | * | trans | -102.1 | 73.1 | 173.9 | -81.4 | -7.2 | 0 | 0 | 0 | 110.9 | ||||
| 1155 | K | 43.4 | Very low | 65.1 | Low | 270 Ų | 270 | 140.5 Ų | 140.5 | 100% | 1.174 | 65% | 0.65 | S | S | * | * | trans | -146.2 | 0 | 161.9 | -79.4 | -159.3 | 173.8 | -169.8 | 0 | 110 |
Retrieved 1,155 of 1,155 residues in 453 ms
(Link to these results)