| 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 | 34.2 | Very low | 60.1 | Low | 238 Ų | 238 | 107.2 Ų | 107.2 | 100% | 1.172 | 57% | 0.571 | S | S | * | * | 0 | 41.7 | 0 | -66.9 | 173.1 | 162.9 | 0 | 0 | 111.8 | |||||
| 2 | S | 33.8 | Very low | 62.6 | Low | 92 Ų | 92 | 107 Ų | 107 | 64% | 0.643 | 56% | 0.557 | S | S | * | * | trans | -105.1 | -6.5 | -172.6 | 44.9 | 0 | 0 | 0 | 0 | 115.4 | R6 | S2-R6 WeakPolarHBondContact O-CG 3.42Š| ||
| 3 | G | 36.3 | Very low | 64.7 | Low | 39 Ų | 39 | 107 Ų | 107 | 40% | 0.402 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.6 | -75.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | C5 R6 D7 | G3-C5 PolarHBondContact O-N 3.27Å; G3-R6 WeakPolarHBondContact O-CA 3.36Å; G3-R6 WeakPolarHBondContact O-CB 3.27Å; G3-R6 PolarHBondContact O-N 2.81Å; G3-D7 PolarHBondContact O-N 3.22Å; G3-D7 VanDerWaalsContact O-OD2 3.1Å |
| 4 | A | 45 | Very low | 66.5 | Low | 80 Ų | 80 | 104.4 Ų | 104.4 | 66% | 0.661 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -48.3 | -35.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D7 R8 | A4-D7 PolarHBondContact O-N 3.34Å; A4-R8 WeakPolarHBondContact O-CB 3.24Å; A4-R8 PolarHBondContact O-N 2.82Å |
| 5 | C | 48.1 | Very low | 68.2 | Low | 94 Ų | 94 | 97.4 Ų | 97.4 | 64% | 0.635 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.2 | -37.5 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 113 | G3 S9 | G3-C5 PolarHBondContact O-N 3.27Å; C5-S9 WeakPolarHBondContact O-CB 3.37Å; C5-S9 PolarHBondContact O-N 3.31Å |
| 6 | R | 49.7 | Very low | 69.7 | Low | 197 Ų | 197 | 96.8 Ų | 96.8 | 74% | 0.743 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.5 | -42.4 | 170.2 | -81.1 | -178.2 | 159.6 | -157 | -6.3 | 111.6 | S2 G3 S9 R10 | S2-R6 WeakPolarHBondContact O-CG 3.42Å; G3-R6 WeakPolarHBondContact O-CA 3.36Å; G3-R6 WeakPolarHBondContact O-CB 3.27Å; G3-R6 PolarHBondContact O-N 2.81Å; R6-S9 PolarHBondContact O-N 3.08Å; R6-R10 WeakPolarHBondContact O-CB 3.43Å; R6-R10 PolarHBondContact O-N 3.16Å |
| 7 | D | 71 | Confident | 70.9 | Confident | 104 Ų | 104 | 98.6 Ų | 98.6 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.7 | -44.8 | -176.3 | -55.7 | -42.7 | 0 | 0 | 0 | 111 | G3 A4 R10 R11 | G3-D7 PolarHBondContact O-N 3.22Å; G3-D7 VanDerWaalsContact O-OD2 3.1Å; A4-D7 PolarHBondContact O-N 3.34Å; D7-R10 PolarHBondContact O-N 3.15Å; D7-R11 WeakPolarHBondContact O-CB 3.39Å; D7-R11 PolarHBondContact O-N 3.13Å |
| 8 | R | 83.3 | Confident | 71.9 | Confident | 63 Ų | 63 | 93.2 Ų | 93.2 | 24% | 0.238 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 172.8 | -172.9 | 173.8 | 173.9 | -157.6 | 0.5 | 112.8 | A4 R10 R11 W12 E49 E56 | A4-R8 WeakPolarHBondContact O-CB 3.24Å; A4-R8 PolarHBondContact O-N 2.82Å; R8-R10 VanDerWaalsContact C-N 3.28Å; R8-R10 PolarHBondContact O-N 3.26Å; R8-R11 WeakPolarHBondContact O-CB 3.38Å; R8-R11 PolarHBondContact O-N 3.45Å; R8-W12 PolarHBondContact O-N 3.32Å; R8-E49 WeakPolarHBondContact CG-OE2 3.46Å; R8-E49 IonicContact CZ-OE1 2.7Å; R8-E49 IonicContact NE-OE1 3.99Å; R8-E49 PolarHBondContact NE-OE1 3.12Å; R8-E49 IonicContact NE-OE2 3.47Å; R8-E49 IonicContact NH2-OE1 2.76Å; R8-E49 PolarHBondContact NH2-OE1 3.19Å; R8-E56 IonicContact CZ-OE1 2.72Å; R8-E56 IonicContact CZ-OE2 2.86Å; R8-E56 IonicContact NH1-OE1 3.55Å; R8-E56 PolarHBondContact NH1-OE1 3.27Å; R8-E56 IonicContact NH1-OE2 2.76Å; R8-E56 PolarHBondContact NH1-OE2 3.23Å; R8-E56 VanDerWaalsContact NH1-OE2 3.1Å; R8-E56 IonicContact NH2-OE1 2.83Å; R8-E56 IonicContact NH2-OE2 3.56Å; R8-E56 PolarHBondContact NH2-OE2 3.13Å |
| 9 | S | 84.1 | Confident | 72.9 | Confident | 64 Ų | 64 | 88.8 Ų | 88.8 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.7 | -34.7 | 176.7 | -175.9 | 0 | 0 | 0 | 0 | 112.6 | C5 R6 Q13 | C5-S9 WeakPolarHBondContact O-CB 3.37Å; C5-S9 PolarHBondContact O-N 3.31Å; R6-S9 PolarHBondContact O-N 3.08Å; S9-Q13 WeakPolarHBondContact O-CG 3.29Å; S9-Q13 PolarHBondContact O-N 2.9Å |
| 10 | R | 86.9 | Confident | 73.8 | Confident | 156 Ų | 156 | 91.4 Ų | 91.4 | 59% | 0.589 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.3 | -49.9 | 171 | 179 | -176.7 | 168.4 | -165.6 | -10.7 | 111.1 | R6 D7 R8 W12 Q13 E14 | R6-R10 WeakPolarHBondContact O-CB 3.43Å; R6-R10 PolarHBondContact O-N 3.16Å; D7-R10 PolarHBondContact O-N 3.15Å; R8-R10 VanDerWaalsContact C-N 3.28Å; R8-R10 PolarHBondContact O-N 3.26Å; R10-W12 VanDerWaalsContact C-N 3.27Å; R10-W12 PolarHBondContact O-N 3.07Å; R10-Q13 WeakPolarHBondContact O-CB 3.45Å; R10-Q13 PolarHBondContact O-N 2.78Å; R10-E14 IonicContact CZ-OE1 2.77Å; R10-E14 IonicContact NE-OE1 3.65Å; R10-E14 PolarHBondContact NE-OE1 3.32Å; R10-E14 IonicContact NE-OE2 3.19Å; R10-E14 PolarHBondContact NE-OE2 3.07Å; R10-E14 IonicContact NH2-OE1 3.1Å; R10-E14 PolarHBondContact NH2-OE1 3.46Å; R10-E14 IonicContact NH2-OE2 2.77Å; R10-E14 PolarHBondContact O-N 3.04Å |
| 11 | R | 88.6 | Confident | 74.5 | Confident | 52 Ų | 52 | 89.1 Ų | 89.1 | 20% | 0.196 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -52.9 | -45.6 | 178.2 | -162.2 | -158.3 | -59.9 | 134.2 | -11.6 | 111.4 | D7 R8 Q13 E14 I15 N45 E49 D52 | D7-R11 WeakPolarHBondContact O-CB 3.39Å; D7-R11 PolarHBondContact O-N 3.13Å; R8-R11 WeakPolarHBondContact O-CB 3.38Å; R8-R11 PolarHBondContact O-N 3.45Å; R11-Q13 PolarHBondContact O-N 2.79Å; R11-E14 PolarHBondContact O-N 3.17Å; R11-E14 VanDerWaalsContact O-N 3.11Å; R11-I15 HydrophobicContact CG-CD1 4.21Å; R11-I15 WeakPolarHBondContact O-CG1 3.35Å; R11-I15 PolarHBondContact O-N 2.94Å; R11-N45 WeakPolarHBondContact CD-O 3.14Å; R11-N45 HydrophobicContact CG-CB 3.82Å; R11-N45 WeakPolarHBondContact CG-OD1 3.49Å; R11-E49 IonicContact CZ-OE2 3.67Å; R11-E49 IonicContact NH1-OE2 3.94Å; R11-E49 PolarHBondContact NH1-OE2 3.37Å; R11-D52 IonicContact CZ-OD2 3.93Å; R11-D52 IonicContact NH1-OD2 3.63Å; R11-D52 PolarHBondContact NH1-OD2 2.93Å; R11-D52 IonicContact NH2-OD2 3.48Å; R11-D52 PolarHBondContact NH2-OD2 3.25Å |
| 12 | W | 89.9 | Confident | 77.1 | Confident | 105 Ų | 105 | 79.7 Ų | 79.7 | 40% | 0.398 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 176.1 | -174.5 | -110.6 | 0 | 0 | 0 | 113.2 | R8 R10 E14 I15 Q16 E49 M65 | R8-W12 PolarHBondContact O-N 3.32Å; R10-W12 VanDerWaalsContact C-N 3.27Å; R10-W12 PolarHBondContact O-N 3.07Å; W12-E14 VanDerWaalsContact C-N 3.29Å; W12-E14 PolarHBondContact O-N 2.91Å; W12-I15 HydrophobicContact CE3-CD1 4.33Å; W12-I15 PolarHBondContact O-N 3.45Å; W12-Q16 HydrophobicContact CD2-CG 4.21Å; W12-Q16 HydrophobicContact CG-CG 4.49Å; W12-Q16 HydrophobicContact CZ2-CG 4.05Å; W12-Q16 VanDerWaalsContact CZ2-NE2 3.3Å; W12-Q16 WeakPolarHBondContact O-CB 3.36Å; W12-Q16 VanDerWaalsContact O-CG 3.25Å; W12-Q16 WeakPolarHBondContact O-CG 3.35Å; W12-Q16 PolarHBondContact O-N 3.29Å; W12-E49 HydrophobicContact CE3-CG 4.02Å; W12-E49 HydrophobicContact CZ3-CG 4.21Å; W12-M65 HydrophobicContact CH2-SD 4.27Å; W12-M65 HydrophobicContact CZ3-SD 3.8Å |
| 13 | Q | 90.6 | Very high | 79.5 | Confident | 107 Ų | 107 | 82.5 Ų | 82.5 | 50% | 0.5 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.2 | -29.9 | 175.2 | -68.6 | 175.2 | 24.6 | 0 | 0 | 113 | S9 R10 R11 K17 | S9-Q13 WeakPolarHBondContact O-CG 3.29Å; S9-Q13 PolarHBondContact O-N 2.9Å; R10-Q13 WeakPolarHBondContact O-CB 3.45Å; R10-Q13 PolarHBondContact O-N 2.78Å; R11-Q13 PolarHBondContact O-N 2.79Å; Q13-K17 WeakPolarHBondContact O-CD 3.33Å; Q13-K17 WeakPolarHBondContact O-CG 3.35Å; Q13-K17 PolarHBondContact O-N 3.2Å |
| 14 | E | 89.2 | Confident | 81.9 | Confident | 70 Ų | 70 | 82.5 Ų | 82.5 | 33% | 0.327 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -75.6 | -41.8 | 176.2 | -72 | 166.2 | 160.8 | 0 | 0 | 110.8 | R10 R11 W12 K17 G18 | R10-E14 IonicContact CZ-OE1 2.77Å; R10-E14 IonicContact NE-OE1 3.65Å; R10-E14 PolarHBondContact NE-OE1 3.32Å; R10-E14 IonicContact NE-OE2 3.19Å; R10-E14 PolarHBondContact NE-OE2 3.07Å; R10-E14 IonicContact NH2-OE1 3.1Å; R10-E14 PolarHBondContact NH2-OE1 3.46Å; R10-E14 IonicContact NH2-OE2 2.77Å; R10-E14 PolarHBondContact O-N 3.04Å; R11-E14 PolarHBondContact O-N 3.17Å; R11-E14 VanDerWaalsContact O-N 3.11Å; W12-E14 VanDerWaalsContact C-N 3.29Å; W12-E14 PolarHBondContact O-N 2.91Å; E14-K17 PolarHBondContact O-N 3.34Å; E14-G18 PolarHBondContact O-N 3.16Å |
| 15 | I | 91.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.7 | -53.1 | 170.6 | -68 | 164.8 | 0 | 0 | 0 | 111.2 | R11 W12 K17 G18 L19 L42 N45 L46 E49 | R11-I15 HydrophobicContact CG-CD1 4.21Å; R11-I15 WeakPolarHBondContact O-CG1 3.35Å; R11-I15 PolarHBondContact O-N 2.94Å; W12-I15 HydrophobicContact CE3-CD1 4.33Å; W12-I15 PolarHBondContact O-N 3.45Å; I15-K17 VanDerWaalsContact C-N 3.3Å; I15-K17 PolarHBondContact O-N 3.25Å; I15-G18 WeakPolarHBondContact O-CA 3.27Å; I15-G18 PolarHBondContact O-N 2.89Å; I15-L19 HydrophobicContact CG2-CD1 3.88Å; I15-L19 HydrophobicContact CG2-CG 4.28Å; I15-L19 WeakPolarHBondContact O-CG 3.22Å; I15-L19 PolarHBondContact O-N 2.85Å; I15-L42 HydrophobicContact CB-CD1 4.42Å; I15-L42 HydrophobicContact CG1-CD1 4.48Å; I15-L42 HydrophobicContact CG2-CD1 4.42Å; I15-N45 HydrophobicContact CD1-CB 4.09Å; I15-N45 WeakPolarHBondContact CD1-O 3.3Å; I15-N45 HydrophobicContact CG1-CB 3.69Å; I15-L46 HydrophobicContact CG1-CG 4.44Å; I15-L46 HydrophobicContact CG2-CD2 3.49Å; I15-L46 VanDerWaalsContact CG2-CD2 3.49Å; I15-L46 HydrophobicContact CG2-CG 4.07Å; I15-E49 HydrophobicContact CD1-CB 3.8Å; I15-E49 HydrophobicContact CD1-CG 4.27Å |
| 16 | Q | 92.8 | Very high | 85.2 | Confident | 87 Ų | 87 | 87 Ų | 87 | 41% | 0.407 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | -175.9 | -70.8 | -67 | -60.9 | 0 | 0 | 112.4 | W12 Q20 | W12-Q16 HydrophobicContact CD2-CG 4.21Å; W12-Q16 HydrophobicContact CG-CG 4.49Å; W12-Q16 HydrophobicContact CZ2-CG 4.05Å; W12-Q16 VanDerWaalsContact CZ2-NE2 3.3Å; W12-Q16 WeakPolarHBondContact O-CB 3.36Å; W12-Q16 VanDerWaalsContact O-CG 3.25Å; W12-Q16 WeakPolarHBondContact O-CG 3.35Å; W12-Q16 PolarHBondContact O-N 3.29Å; Q16-Q20 VanDerWaalsContact O-CB 3.26Å; Q16-Q20 WeakPolarHBondContact O-CB 3.29Å; Q16-Q20 PolarHBondContact O-N 3.31Å; Q16-Q20 VanDerWaalsContact O-N 3.07Å |
| 17 | K | 89.4 | Confident | 86.6 | Confident | 129 Ų | 129 | 83 Ų | 83 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.2 | -40.5 | 171 | -72 | 167.4 | -171.5 | 168.6 | 0 | 112.1 | Q13 E14 I15 Q20 F21 | Q13-K17 WeakPolarHBondContact O-CD 3.33Å; Q13-K17 WeakPolarHBondContact O-CG 3.35Å; Q13-K17 PolarHBondContact O-N 3.2Å; E14-K17 PolarHBondContact O-N 3.34Å; I15-K17 VanDerWaalsContact C-N 3.3Å; I15-K17 PolarHBondContact O-N 3.25Å; K17-Q20 PolarHBondContact O-N 3.21Å; K17-F21 WeakPolarHBondContact O-CB 3.42Å; K17-F21 PolarHBondContact O-N 3.07Å |
| 18 | G | 90.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64 | -48 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E14 I15 F21 I22 | E14-G18 PolarHBondContact O-N 3.16Å; I15-G18 WeakPolarHBondContact O-CA 3.27Å; I15-G18 PolarHBondContact O-N 2.89Å; G18-F21 PolarHBondContact O-N 3.17Å; G18-I22 PolarHBondContact O-N 2.77Å |
| 19 | L | 90.9 | Very high | 87.1 | Confident | 10 Ų | 10 | 83.6 Ų | 83.6 | 5% | 0.052 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63 | -44 | 174.9 | -65.1 | 177.3 | 0 | 0 | 0 | 111.8 | I15 F21 I22 Q23 L42 L46 E68 I72 | I15-L19 HydrophobicContact CG2-CD1 3.88Å; I15-L19 HydrophobicContact CG2-CG 4.28Å; I15-L19 WeakPolarHBondContact O-CG 3.22Å; I15-L19 PolarHBondContact O-N 2.85Å; L19-F21 PolarHBondContact O-N 2.84Å; L19-I22 PolarHBondContact O-N 2.75Å; L19-Q23 WeakPolarHBondContact O-CB 3.45Å; L19-Q23 VanDerWaalsContact O-CG 3.28Å; L19-Q23 WeakPolarHBondContact O-CG 3.49Å; L19-Q23 PolarHBondContact O-N 3.33Å; L19-L42 HydrophobicContact CD2-CD2 4.35Å; L19-L46 HydrophobicContact CD1-CD2 4.43Å; L19-L46 HydrophobicContact CD2-CD1 4.22Å; L19-E68 HydrophobicContact CD1-CG 4.04Å; L19-E68 HydrophobicContact CD2-CG 3.65Å; L19-E68 WeakPolarHBondContact CD2-OE1 3.49Å; L19-I72 HydrophobicContact CD2-CD1 4.12Å; L19-I72 HydrophobicContact CD2-CG1 4.11Å |
| 20 | Q | 90.1 | Very high | 87.2 | Confident | 141 Ų | 141 | 82.4 Ų | 82.4 | 66% | 0.659 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.8 | -34.4 | 175.1 | -173.9 | 177.5 | 23.9 | 0 | 0 | 112.4 | Q16 K17 S24 | Q16-Q20 VanDerWaalsContact O-CB 3.26Å; Q16-Q20 WeakPolarHBondContact O-CB 3.29Å; Q16-Q20 PolarHBondContact O-N 3.31Å; Q16-Q20 VanDerWaalsContact O-N 3.07Å; K17-Q20 PolarHBondContact O-N 3.21Å; Q20-S24 PolarHBondContact O-N 2.68Å |
| 21 | F | 89.5 | Confident | 87.4 | Confident | 43 Ų | 43 | 78.3 Ų | 78.3 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.6 | -47.9 | 175.5 | 174.2 | -93.2 | 0 | 0 | 0 | 112.1 | K17 G18 L19 Q23 S24 L26 F28 Y35 F38 | K17-F21 WeakPolarHBondContact O-CB 3.42Å; K17-F21 PolarHBondContact O-N 3.07Å; G18-F21 PolarHBondContact O-N 3.17Å; L19-F21 PolarHBondContact O-N 2.84Å; F21-Q23 VanDerWaalsContact C-N 3.26Å; F21-Q23 PolarHBondContact O-N 3.03Å; F21-S24 WeakPolarHBondContact O-CA 3.29Å; F21-S24 WeakPolarHBondContact O-CB 3.46Å; F21-S24 PolarHBondContact O-N 2.71Å; F21-S24 PolarHBondContact O-OG 3.01Å; F21-L26 WeakPolarHBondContact CE2-O 3.34Å; F21-L26 WeakPolarHBondContact CZ-O 3.41Å; F21-F28 HydrophobicContact CD1-CD2 4.5Å; F21-F28 HydrophobicContact CE1-CB 4.35Å; F21-F28 AromaticContact CE1-CD2 3.85Å; F21-F28 HydrophobicContact CE1-CD2 3.85Å; F21-F28 HydrophobicContact CE2-CD2 4.4Å; F21-F28 HydrophobicContact CZ-CB 3.76Å; F21-F28 AromaticContact CZ-CD2 3.82Å; F21-F28 HydrophobicContact CZ-CD2 3.82Å; F21-F28 HydrophobicContact CZ-CG 4.29Å; F21-Y35 HydrophobicContact CE1-CE2 4.1Å; F21-F38 HydrophobicContact CB-CZ 4.18Å; F21-F38 AromaticContact CD1-CE1 3.55Å; F21-F38 HydrophobicContact CD1-CE1 3.55Å; F21-F38 AromaticContact CD1-CZ 3.66Å; F21-F38 HydrophobicContact CD1-CZ 3.66Å; F21-F38 HydrophobicContact CE1-CE1 4.04Å; F21-F38 HydrophobicContact CG-CE1 4.48Å; F21-F38 HydrophobicContact CG-CZ 4.18Å |
| 22 | I | 87.4 | Confident | 87.2 | Confident | 40 Ų | 40 | 81.2 Ų | 81.2 | 21% | 0.205 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.5 | -32.4 | 179.2 | -66.3 | 179 | 0 | 0 | 0 | 111.6 | G18 L19 S24 F38 I39 L42 I72 Y75 | G18-I22 PolarHBondContact O-N 2.77Å; L19-I22 PolarHBondContact O-N 2.75Å; I22-S24 PolarHBondContact O-N 3.46Å; I22-F38 HydrophobicContact CG1-CE1 4.43Å; I22-I39 HydrophobicContact CD1-CD1 3.55Å; I22-I39 HydrophobicContact CG1-CD1 4.11Å; I22-L42 HydrophobicContact CD1-CD2 3.47Å; I22-L42 VanDerWaalsContact CD1-CD2 3.47Å; I22-L42 HydrophobicContact CG1-CD2 4.39Å; I22-I72 HydrophobicContact CD1-CD1 3.79Å; I22-I72 HydrophobicContact CD1-CG1 4.35Å; I22-I72 HydrophobicContact CD1-CG2 3.85Å; I22-I72 HydrophobicContact CG2-CD1 4.17Å; I22-Y75 HydrophobicContact CD1-CD1 4.39Å; I22-Y75 HydrophobicContact CD1-CE1 4.5Å; I22-Y75 HydrophobicContact CG1-CE1 4.5Å; I22-Y75 HydrophobicContact CG2-CD1 3.95Å; I22-Y75 HydrophobicContact CG2-CE1 3.91Å |
| 23 | Q | 85.2 | Confident | 87.1 | Confident | 151 Ų | 151 | 83.3 Ų | 83.3 | 71% | 0.706 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -0.1 | 172.5 | -66.6 | 173.7 | 12.1 | 0 | 0 | 113.6 | L19 F21 | L19-Q23 WeakPolarHBondContact O-CB 3.45Å; L19-Q23 VanDerWaalsContact O-CG 3.28Å; L19-Q23 WeakPolarHBondContact O-CG 3.49Å; L19-Q23 PolarHBondContact O-N 3.33Å; F21-Q23 VanDerWaalsContact C-N 3.26Å; F21-Q23 PolarHBondContact O-N 3.03Å |
| 24 | S | 86 | Confident | 87 | Confident | 40 Ų | 40 | 83.4 Ų | 83.4 | 28% | 0.28 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -105.9 | 146.3 | -179.4 | 85 | 0 | 0 | 0 | 0 | 112.2 | Q20 F21 I22 L26 | Q20-S24 PolarHBondContact O-N 2.68Å; F21-S24 WeakPolarHBondContact O-CA 3.29Å; F21-S24 WeakPolarHBondContact O-CB 3.46Å; F21-S24 PolarHBondContact O-N 2.71Å; F21-S24 PolarHBondContact O-OG 3.01Å; I22-S24 PolarHBondContact O-N 3.46Å; S24-L26 PolarHBondContact O-N 3.49Å |
| 25 | T | 81.3 | Confident | 87 | Confident | 148 Ų | 148 | 81 Ų | 81 | 91% | 0.908 | 43% | 0.43 | S | S | * | . | trans | -86.5 | 32.6 | 174 | 65.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 26 | L | 81.8 | Confident | 86.9 | Confident | 119 Ų | 119 | 84 Ų | 84 | 62% | 0.623 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -100.5 | 136.1 | -178.8 | -62.7 | 178.7 | 0 | 0 | 0 | 110.2 | F21 S24 | F21-L26 WeakPolarHBondContact CE2-O 3.34Å; F21-L26 WeakPolarHBondContact CZ-O 3.41Å; S24-L26 PolarHBondContact O-N 3.49Å |
| 27 | P | 79.2 | Confident | 86.8 | Confident | 115 Ų | 115 | 82.7 Ų | 82.7 | 75% | 0.747 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 146.5 | 176.9 | 28.9 | -35 | 0 | 0 | 0 | 111 | ||
| 28 | F | 84.9 | Confident | 86.9 | Confident | 58 Ų | 58 | 78.7 Ų | 78.7 | 25% | 0.254 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 129.9 | -179.7 | -175.3 | -100 | 0 | 0 | 0 | 111.5 | F21 G30 Q34 Y35 F38 | F21-F28 HydrophobicContact CD1-CD2 4.5Å; F21-F28 HydrophobicContact CE1-CB 4.35Å; F21-F28 AromaticContact CE1-CD2 3.85Å; F21-F28 HydrophobicContact CE1-CD2 3.85Å; F21-F28 HydrophobicContact CE2-CD2 4.4Å; F21-F28 HydrophobicContact CZ-CB 3.76Å; F21-F28 AromaticContact CZ-CD2 3.82Å; F21-F28 HydrophobicContact CZ-CD2 3.82Å; F21-F28 HydrophobicContact CZ-CG 4.29Å; F28-G30 PolarHBondContact O-N 3.11Å; F28-Q34 HydrophobicContact CE1-CB 3.87Å; F28-Q34 HydrophobicContact CZ-CB 4.45Å; F28-Y35 HydrophobicContact CB-CD2 3.87Å; F28-Y35 HydrophobicContact CB-CG 4.27Å; F28-Y35 HydrophobicContact CD1-CD2 4.3Å; F28-Y35 HydrophobicContact CD1-CG 4.36Å; F28-Y35 AromaticContact CD2-CD2 3.65Å; F28-Y35 HydrophobicContact CD2-CD2 3.65Å; F28-Y35 HydrophobicContact CD2-CE2 4.46Å; F28-Y35 HydrophobicContact CD2-CG 4.48Å; F28-Y35 HydrophobicContact CE2-CD2 4.24Å; F28-Y35 AromaticContact CG-CD2 3.68Å; F28-Y35 HydrophobicContact CG-CD2 3.68Å; F28-Y35 HydrophobicContact CG-CG 4.13Å; F28-F38 HydrophobicContact CD2-CD1 4.16Å; F28-F38 HydrophobicContact CD2-CE1 4.49Å; F28-F38 HydrophobicContact CE2-CB 3.85Å; F28-F38 AromaticContact CE2-CD1 3.66Å; F28-F38 HydrophobicContact CE2-CD1 3.66Å; F28-F38 HydrophobicContact CE2-CD2 4.2Å; F28-F38 HydrophobicContact CE2-CE1 4.26Å; F28-F38 AromaticContact CE2-CG 3.63Å; F28-F38 HydrophobicContact CE2-CG 3.63Å; F28-F38 HydrophobicContact CZ-CB 3.89Å; F28-F38 HydrophobicContact CZ-CD1 4.49Å; F28-F38 HydrophobicContact CZ-CG 4.18Å |
| 29 | P | 78.8 | Confident | 86.9 | Confident | 120 Ų | 120 | 78.7 Ų | 78.7 | 78% | 0.779 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -82.7 | 61 | -177.6 | 34.8 | -36.7 | 0 | 0 | 0 | 112.1 | ||
| 30 | G | 87.3 | Confident | 86.8 | Confident | 40 Ų | 40 | 80.1 Ų | 80.1 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -171.8 | -167.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F28 Q34 | F28-G30 PolarHBondContact O-N 3.11Å; G30-Q34 VanDerWaalsContact CA-OE1 3.25Å |
| 31 | T | 89.9 | Confident | 86.8 | Confident | 69 Ų | 69 | 77.6 Ų | 77.6 | 42% | 0.423 | 42% | 0.418 | S | S | . | . | trans | -82.6 | 164.7 | 171.5 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | E33 Q34 Y35 | T31-E33 VanDerWaalsContact C-N 3.28Å; T31-E33 PolarHBondContact O-N 3.47Å; T31-Q34 WeakPolarHBondContact O-CB 3.26Å; T31-Q34 PolarHBondContact O-N 3.09Å; T31-Q34 VanDerWaalsContact O-N 3.09Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.48Å; T31-Q34 PolarHBondContact OG1-N 2.76Å; T31-Y35 PolarHBondContact O-N 3.36Å | ||
| 32 | Q | 85.1 | Confident | 86.9 | Confident | 114 Ų | 114 | 75.8 Ų | 75.8 | 53% | 0.533 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -55.7 | -43.3 | 174.1 | -171.6 | 67.9 | 11.5 | 0 | 0 | 111.8 | Q34 Y35 E36 | Q32-Q34 VanDerWaalsContact C-N 3.29Å; Q32-Q34 PolarHBondContact O-N 3.25Å; Q32-Y35 WeakPolarHBondContact O-CB 3.45Å; Q32-Y35 PolarHBondContact O-N 2.9Å; Q32-Y35 VanDerWaalsContact O-N 3.11Å; Q32-E36 PolarHBondContact O-N 3.21Å |
| 33 | E | 87.3 | Confident | 87.2 | Confident | 149 Ų | 149 | 73.9 Ų | 73.9 | 70% | 0.696 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.9 | -38.3 | 177 | -60.1 | 167.2 | 164.8 | 0 | 0 | 111.9 | T31 V37 | T31-E33 VanDerWaalsContact C-N 3.28Å; T31-E33 PolarHBondContact O-N 3.47Å; E33-V37 WeakPolarHBondContact O-CG2 3.41Å; E33-V37 PolarHBondContact O-N 2.84Å; E33-V37 VanDerWaalsContact O-N 3.09Å |
| 34 | Q | 88.9 | Confident | 87.4 | Confident | 108 Ų | 108 | 69.1 Ų | 69.1 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72 | -34.2 | 175.9 | -70.5 | 169.2 | -15.5 | 0 | 0 | 112.2 | F28 G30 T31 Q32 F38 | F28-Q34 HydrophobicContact CE1-CB 3.87Å; F28-Q34 HydrophobicContact CZ-CB 4.45Å; G30-Q34 VanDerWaalsContact CA-OE1 3.25Å; T31-Q34 WeakPolarHBondContact O-CB 3.26Å; T31-Q34 PolarHBondContact O-N 3.09Å; T31-Q34 VanDerWaalsContact O-N 3.09Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.48Å; T31-Q34 PolarHBondContact OG1-N 2.76Å; Q32-Q34 VanDerWaalsContact C-N 3.29Å; Q32-Q34 PolarHBondContact O-N 3.25Å; Q34-F38 VanDerWaalsContact O-CB 3.3Å; Q34-F38 WeakPolarHBondContact O-CB 3.36Å; Q34-F38 PolarHBondContact O-N 3.05Å |
| 35 | Y | 89.1 | Confident | 87.6 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 8% | 0.082 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.6 | -45.7 | 173.6 | 177.1 | -123.6 | 0 | 0 | 0 | 111.3 | F21 F28 T31 Q32 V37 F38 I39 Y75 I81 | F21-Y35 HydrophobicContact CE1-CE2 4.1Å; F28-Y35 HydrophobicContact CB-CD2 3.87Å; F28-Y35 HydrophobicContact CB-CG 4.27Å; F28-Y35 HydrophobicContact CD1-CD2 4.3Å; F28-Y35 HydrophobicContact CD1-CG 4.36Å; F28-Y35 AromaticContact CD2-CD2 3.65Å; F28-Y35 HydrophobicContact CD2-CD2 3.65Å; F28-Y35 HydrophobicContact CD2-CE2 4.46Å; F28-Y35 HydrophobicContact CD2-CG 4.48Å; F28-Y35 HydrophobicContact CE2-CD2 4.24Å; F28-Y35 AromaticContact CG-CD2 3.68Å; F28-Y35 HydrophobicContact CG-CD2 3.68Å; F28-Y35 HydrophobicContact CG-CG 4.13Å; T31-Y35 PolarHBondContact O-N 3.36Å; Q32-Y35 WeakPolarHBondContact O-CB 3.45Å; Q32-Y35 PolarHBondContact O-N 2.9Å; Q32-Y35 VanDerWaalsContact O-N 3.11Å; Y35-V37 PolarHBondContact O-N 3.26Å; Y35-F38 HydrophobicContact CD2-CD1 4.05Å; Y35-F38 HydrophobicContact CE2-CD1 4.32Å; Y35-F38 HydrophobicContact CE2-CE1 4.48Å; Y35-F38 WeakPolarHBondContact O-CB 3.4Å; Y35-F38 PolarHBondContact O-N 3.45Å; Y35-I39 HydrophobicContact CD2-CD1 4.48Å; Y35-I39 HydrophobicContact CD2-CG1 4.08Å; Y35-I39 HydrophobicContact CE1-CG1 4.44Å; Y35-I39 HydrophobicContact CE2-CD1 3.73Å; Y35-I39 HydrophobicContact CE2-CG1 3.69Å; Y35-I39 WeakPolarHBondContact O-CG1 3.36Å; Y35-I39 PolarHBondContact O-N 3.12Å; Y35-Y75 PolarHBondContact OH-OH 2.69Å; Y35-I81 HydrophobicContact CD1-CD1 3.8Å; Y35-I81 HydrophobicContact CE1-CD1 3.55Å |
| 36 | E | 89.7 | Confident | 88.1 | Confident | 63 Ų | 63 | 61.7 Ų | 61.7 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.7 | -48.7 | 172.9 | -75.4 | -168.4 | -127 | 0 | 0 | 112.4 | Q32 F38 I39 K40 I81 | Q32-E36 PolarHBondContact O-N 3.21Å; E36-F38 VanDerWaalsContact C-N 3.34Å; E36-I39 PolarHBondContact O-N 2.97Å; E36-K40 WeakPolarHBondContact O-CB 3.15Å; E36-K40 VanDerWaalsContact O-CD 3.31Å; E36-K40 WeakPolarHBondContact O-CD 3.27Å; E36-K40 WeakPolarHBondContact O-CG 3.04Å; E36-K40 PolarHBondContact O-N 3.07Å; E36-K40 IonicContact OE2-NZ 2.76Å; E36-K40 PolarHBondContact OE2-NZ 3.01Å; E36-I81 HydrophobicContact CB-CG2 4.21Å; E36-I81 HydrophobicContact CG-CD1 4.21Å; E36-I81 HydrophobicContact CG-CG1 4.09Å; E36-I81 HydrophobicContact CG-CG2 3.97Å |
| 37 | V | 90.6 | Very high | 88.6 | Confident | 59 Ų | 59 | 56.1 Ų | 56.1 | 36% | 0.358 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 177.7 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | E33 Y35 I39 K40 E41 | E33-V37 WeakPolarHBondContact O-CG2 3.41Å; E33-V37 PolarHBondContact O-N 2.84Å; E33-V37 VanDerWaalsContact O-N 3.09Å; Y35-V37 PolarHBondContact O-N 3.26Å; V37-I39 PolarHBondContact O-N 3.02Å; V37-K40 PolarHBondContact O-N 3.45Å; V37-E41 HydrophobicContact CG1-CG 4.22Å; V37-E41 WeakPolarHBondContact O-CB 3.28Å; V37-E41 WeakPolarHBondContact O-CG 3.4Å; V37-E41 PolarHBondContact O-N 3.42Å |
| 38 | F | 91.8 | Very high | 89.1 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 19% | 0.193 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 176.5 | 158.7 | -96.2 | 0 | 0 | 0 | 113 | F21 I22 F28 Q34 Y35 E36 E41 L42 | F21-F38 HydrophobicContact CB-CZ 4.18Å; F21-F38 AromaticContact CD1-CE1 3.55Å; F21-F38 HydrophobicContact CD1-CE1 3.55Å; F21-F38 AromaticContact CD1-CZ 3.66Å; F21-F38 HydrophobicContact CD1-CZ 3.66Å; F21-F38 HydrophobicContact CE1-CE1 4.04Å; F21-F38 HydrophobicContact CG-CE1 4.48Å; F21-F38 HydrophobicContact CG-CZ 4.18Å; I22-F38 HydrophobicContact CG1-CE1 4.43Å; F28-F38 HydrophobicContact CD2-CD1 4.16Å; F28-F38 HydrophobicContact CD2-CE1 4.49Å; F28-F38 HydrophobicContact CE2-CB 3.85Å; F28-F38 AromaticContact CE2-CD1 3.66Å; F28-F38 HydrophobicContact CE2-CD1 3.66Å; F28-F38 HydrophobicContact CE2-CD2 4.2Å; F28-F38 HydrophobicContact CE2-CE1 4.26Å; F28-F38 AromaticContact CE2-CG 3.63Å; F28-F38 HydrophobicContact CE2-CG 3.63Å; F28-F38 HydrophobicContact CZ-CB 3.89Å; F28-F38 HydrophobicContact CZ-CD1 4.49Å; F28-F38 HydrophobicContact CZ-CG 4.18Å; Q34-F38 VanDerWaalsContact O-CB 3.3Å; Q34-F38 WeakPolarHBondContact O-CB 3.36Å; Q34-F38 PolarHBondContact O-N 3.05Å; Y35-F38 HydrophobicContact CD2-CD1 4.05Å; Y35-F38 HydrophobicContact CE2-CD1 4.32Å; Y35-F38 HydrophobicContact CE2-CE1 4.48Å; Y35-F38 WeakPolarHBondContact O-CB 3.4Å; Y35-F38 PolarHBondContact O-N 3.45Å; E36-F38 VanDerWaalsContact C-N 3.34Å; F38-E41 PolarHBondContact O-N 2.71Å; F38-L42 WeakPolarHBondContact O-CB 3.29Å; F38-L42 PolarHBondContact O-N 3.2Å |
| 39 | I | 90.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.5 | -66.6 | -62.2 | 0 | 0 | 0 | 110.6 | I22 Y35 E36 V37 E41 L42 V43 I72 Y75 A76 I81 | I22-I39 HydrophobicContact CD1-CD1 3.55Å; I22-I39 HydrophobicContact CG1-CD1 4.11Å; Y35-I39 HydrophobicContact CD2-CD1 4.48Å; Y35-I39 HydrophobicContact CD2-CG1 4.08Å; Y35-I39 HydrophobicContact CE1-CG1 4.44Å; Y35-I39 HydrophobicContact CE2-CD1 3.73Å; Y35-I39 HydrophobicContact CE2-CG1 3.69Å; Y35-I39 WeakPolarHBondContact O-CG1 3.36Å; Y35-I39 PolarHBondContact O-N 3.12Å; E36-I39 PolarHBondContact O-N 2.97Å; V37-I39 PolarHBondContact O-N 3.02Å; I39-E41 PolarHBondContact O-N 2.98Å; I39-L42 PolarHBondContact O-N 3.46Å; I39-V43 PolarHBondContact O-N 3Å; I39-V43 VanDerWaalsContact O-N 3.1Å; I39-I72 HydrophobicContact CG2-CG2 4.32Å; I39-Y75 HydrophobicContact CD1-CE1 4.47Å; I39-A76 HydrophobicContact CG2-CB 3.57Å; I39-I81 HydrophobicContact CG1-CD1 4.22Å; I39-I81 HydrophobicContact CG2-CG2 4.47Å |
| 40 | K | 89.9 | Confident | 90 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 177.6 | -70.6 | 161.2 | -176.4 | 170 | 0 | 111.6 | E36 V37 W44 C82 F220 | E36-K40 WeakPolarHBondContact O-CB 3.15Å; E36-K40 VanDerWaalsContact O-CD 3.31Å; E36-K40 WeakPolarHBondContact O-CD 3.27Å; E36-K40 WeakPolarHBondContact O-CG 3.04Å; E36-K40 PolarHBondContact O-N 3.07Å; E36-K40 IonicContact OE2-NZ 2.76Å; E36-K40 PolarHBondContact OE2-NZ 3.01Å; V37-K40 PolarHBondContact O-N 3.45Å; K40-W44 VanDerWaalsContact O-CB 3.28Å; K40-W44 WeakPolarHBondContact O-CB 3.42Å; K40-W44 PolarHBondContact O-N 3.22Å; K40-C82 WeakPolarHBondContact CE-O 3.13Å; K40-F220 HydrophobicContact CB-CZ 4.26Å |
| 41 | E | 90 | Very high | 90.2 | Very high | 88 Ų | 88 | 41.7 Ų | 41.7 | 41% | 0.411 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.4 | -32.7 | 174.1 | -76.9 | -173.4 | 172 | 0 | 0 | 112.9 | V37 F38 I39 W44 N45 | V37-E41 HydrophobicContact CG1-CG 4.22Å; V37-E41 WeakPolarHBondContact O-CB 3.28Å; V37-E41 WeakPolarHBondContact O-CG 3.4Å; V37-E41 PolarHBondContact O-N 3.42Å; F38-E41 PolarHBondContact O-N 2.71Å; I39-E41 PolarHBondContact O-N 2.98Å; E41-W44 WeakPolarHBondContact O-CB 2.92Å; E41-W44 PolarHBondContact O-N 3.32Å; E41-N45 VanDerWaalsContact O-CB 3.27Å; E41-N45 WeakPolarHBondContact O-CB 3.48Å; E41-N45 PolarHBondContact O-N 3.34Å; E41-N45 PolarHBondContact O-ND2 3.22Å |
| 42 | L | 91.6 | Very high | 90.2 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.4 | -47.1 | 176.9 | -177.9 | 58.8 | 0 | 0 | 0 | 111.9 | I15 L19 I22 F38 I39 W44 N45 L46 I72 | I15-L42 HydrophobicContact CB-CD1 4.42Å; I15-L42 HydrophobicContact CG1-CD1 4.48Å; I15-L42 HydrophobicContact CG2-CD1 4.42Å; L19-L42 HydrophobicContact CD2-CD2 4.35Å; I22-L42 HydrophobicContact CD1-CD2 3.47Å; I22-L42 VanDerWaalsContact CD1-CD2 3.47Å; I22-L42 HydrophobicContact CG1-CD2 4.39Å; F38-L42 WeakPolarHBondContact O-CB 3.29Å; F38-L42 PolarHBondContact O-N 3.2Å; I39-L42 PolarHBondContact O-N 3.46Å; L42-W44 VanDerWaalsContact C-N 3.26Å; L42-W44 PolarHBondContact O-N 3.11Å; L42-N45 PolarHBondContact O-N 3.48Å; L42-L46 HydrophobicContact CD1-CD1 4.17Å; L42-L46 HydrophobicContact CD1-CG 4.4Å; L42-L46 HydrophobicContact CG-CD1 4.07Å; L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 WeakPolarHBondContact O-CG 3.44Å; L42-L46 PolarHBondContact O-N 2.76Å; L42-I72 HydrophobicContact CD2-CG1 4.43Å; L42-I72 HydrophobicContact CD2-CG2 4.22Å |
| 43 | V | 92.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.9 | -43.4 | 172.2 | 178.4 | 0 | 0 | 0 | 0 | 110 | I39 L46 F47 A69 I72 A73 V83 V87 L91 | I39-V43 PolarHBondContact O-N 3Å; I39-V43 VanDerWaalsContact O-N 3.1Å; V43-L46 PolarHBondContact O-N 3.3Å; V43-F47 WeakPolarHBondContact O-CB 3.4Å; V43-F47 PolarHBondContact O-N 2.9Å; V43-A69 HydrophobicContact CG1-CB 4.42Å; V43-I72 HydrophobicContact CG2-CB 3.97Å; V43-I72 HydrophobicContact CG2-CG2 3.64Å; V43-A73 HydrophobicContact CG1-CB 4.46Å; V43-A73 HydrophobicContact CG2-CB 4.27Å; V43-V83 HydrophobicContact CG1-CG1 4.41Å; V43-V87 HydrophobicContact CG1-CG1 4.48Å; V43-L91 HydrophobicContact CG1-CD1 4Å |
| 44 | W | 89.4 | Confident | 90.7 | Very high | 50 Ų | 50 | 29.4 Ų | 29.4 | 19% | 0.189 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 177.5 | -169.8 | -90.3 | 0 | 0 | 0 | 112.9 | K40 E41 L42 F47 G48 V87 V217 P218 | K40-W44 VanDerWaalsContact O-CB 3.28Å; K40-W44 WeakPolarHBondContact O-CB 3.42Å; K40-W44 PolarHBondContact O-N 3.22Å; E41-W44 WeakPolarHBondContact O-CB 2.92Å; E41-W44 PolarHBondContact O-N 3.32Å; L42-W44 VanDerWaalsContact C-N 3.26Å; L42-W44 PolarHBondContact O-N 3.11Å; W44-F47 PolarHBondContact O-N 3.31Å; W44-G48 PolarHBondContact O-N 2.92Å; W44-V87 HydrophobicContact CE3-CG2 4.18Å; W44-V87 HydrophobicContact CZ3-CG1 4.43Å; W44-V87 HydrophobicContact CZ3-CG2 3.74Å; W44-V217 HydrophobicContact CZ2-CB 3.96Å; W44-V217 HydrophobicContact CZ2-CG1 3.7Å; W44-V217 HydrophobicContact CZ2-CG2 3.96Å; W44-P218 VanDerWaalsContact CH2-CD 3.49Å |
| 45 | N | 91.1 | Very high | 90.7 | Very high | 33 Ų | 33 | 29.8 Ų | 29.8 | 18% | 0.176 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69 | -38.6 | -178.9 | -77.1 | -38.5 | 0 | 0 | 0 | 112.1 | R11 I15 E41 L42 G48 E49 | R11-N45 WeakPolarHBondContact CD-O 3.14Å; R11-N45 HydrophobicContact CG-CB 3.82Å; R11-N45 WeakPolarHBondContact CG-OD1 3.49Å; I15-N45 HydrophobicContact CD1-CB 4.09Å; I15-N45 WeakPolarHBondContact CD1-O 3.3Å; I15-N45 HydrophobicContact CG1-CB 3.69Å; E41-N45 VanDerWaalsContact O-CB 3.27Å; E41-N45 WeakPolarHBondContact O-CB 3.48Å; E41-N45 PolarHBondContact O-N 3.34Å; E41-N45 PolarHBondContact O-ND2 3.22Å; L42-N45 PolarHBondContact O-N 3.48Å; N45-G48 PolarHBondContact O-N 3.34Å; N45-E49 WeakPolarHBondContact O-CB 3.41Å; N45-E49 PolarHBondContact O-N 3.04Å |
| 46 | L | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 173.3 | -74.7 | 161.7 | 0 | 0 | 0 | 112.2 | I15 L19 L42 V43 E49 G50 M65 E68 A69 I72 | I15-L46 HydrophobicContact CG1-CG 4.44Å; I15-L46 HydrophobicContact CG2-CD2 3.49Å; I15-L46 VanDerWaalsContact CG2-CD2 3.49Å; I15-L46 HydrophobicContact CG2-CG 4.07Å; L19-L46 HydrophobicContact CD1-CD2 4.43Å; L19-L46 HydrophobicContact CD2-CD1 4.22Å; L42-L46 HydrophobicContact CD1-CD1 4.17Å; L42-L46 HydrophobicContact CD1-CG 4.4Å; L42-L46 HydrophobicContact CG-CD1 4.07Å; L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 WeakPolarHBondContact O-CG 3.44Å; L42-L46 PolarHBondContact O-N 2.76Å; V43-L46 PolarHBondContact O-N 3.3Å; L46-E49 PolarHBondContact O-N 3.28Å; L46-G50 PolarHBondContact O-N 3.24Å; L46-M65 HydrophobicContact CD2-SD 4.09Å; L46-E68 HydrophobicContact CD1-CB 4.48Å; L46-E68 HydrophobicContact CD1-CG 4.05Å; L46-E68 HydrophobicContact CD2-CB 4.34Å; L46-E68 HydrophobicContact CD2-CG 4.15Å; L46-A69 HydrophobicContact CB-CB 3.66Å; L46-A69 HydrophobicContact CD1-CB 4.45Å; L46-I72 HydrophobicContact CD1-CG1 4.17Å |
| 47 | F | 91.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 172.3 | 175.5 | -117.2 | 0 | 0 | 0 | 111.7 | V43 W44 E49 G50 N51 Y66 K90 L91 | V43-F47 WeakPolarHBondContact O-CB 3.4Å; V43-F47 PolarHBondContact O-N 2.9Å; W44-F47 PolarHBondContact O-N 3.31Å; F47-E49 PolarHBondContact O-N 3.31Å; F47-G50 PolarHBondContact O-N 3.18Å; F47-N51 VanDerWaalsContact CE1-ND2 3.28Å; F47-N51 WeakPolarHBondContact CE1-ND2 3.48Å; F47-N51 WeakPolarHBondContact CZ-ND2 3.39Å; F47-N51 PolarHBondContact O-N 2.9Å; F47-N51 PolarHBondContact O-ND2 3.27Å; F47-Y66 HydrophobicContact CD2-CD1 4.17Å; F47-Y66 AromaticContact CD2-CE1 3.95Å; F47-Y66 HydrophobicContact CD2-CE1 3.95Å; F47-Y66 HydrophobicContact CE2-CE1 4.28Å; F47-K90 HydrophobicContact CE2-CB 4.06Å; F47-K90 HydrophobicContact CZ-CB 3.79Å; F47-L91 HydrophobicContact CB-CD2 4.07Å; F47-L91 HydrophobicContact CB-CG 4.47Å; F47-L91 HydrophobicContact CD2-CD2 3.68Å; F47-L91 HydrophobicContact CD2-CG 3.88Å; F47-L91 HydrophobicContact CG-CD2 4.29Å; F47-L91 HydrophobicContact CG-CG 4.43Å |
| 48 | G | 90 | Very high | 90.7 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W44 N45 N51 D52 | W44-G48 PolarHBondContact O-N 2.92Å; N45-G48 PolarHBondContact O-N 3.34Å; G48-N51 PolarHBondContact O-N 3.42Å; G48-D52 PolarHBondContact O-N 3.44Å; G48-D52 VanDerWaalsContact O-N 3.08Å |
| 49 | E | 91.3 | Very high | 90.6 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.6 | -40.4 | 175.9 | -165.9 | 60.7 | -145.8 | 0 | 0 | 112.1 | R8 R11 W12 I15 N45 L46 F47 N51 D52 V53 | R8-E49 WeakPolarHBondContact CG-OE2 3.46Å; R8-E49 IonicContact CZ-OE1 2.7Å; R8-E49 IonicContact NE-OE1 3.99Å; R8-E49 PolarHBondContact NE-OE1 3.12Å; R8-E49 IonicContact NE-OE2 3.47Å; R8-E49 IonicContact NH2-OE1 2.76Å; R8-E49 PolarHBondContact NH2-OE1 3.19Å; R11-E49 IonicContact CZ-OE2 3.67Å; R11-E49 IonicContact NH1-OE2 3.94Å; R11-E49 PolarHBondContact NH1-OE2 3.37Å; W12-E49 HydrophobicContact CE3-CG 4.02Å; W12-E49 HydrophobicContact CZ3-CG 4.21Å; I15-E49 HydrophobicContact CD1-CB 3.8Å; I15-E49 HydrophobicContact CD1-CG 4.27Å; N45-E49 WeakPolarHBondContact O-CB 3.41Å; N45-E49 PolarHBondContact O-N 3.04Å; L46-E49 PolarHBondContact O-N 3.28Å; F47-E49 PolarHBondContact O-N 3.31Å; E49-N51 VanDerWaalsContact C-N 3.28Å; E49-N51 PolarHBondContact O-N 3.1Å; E49-D52 PolarHBondContact O-N 3.03Å; E49-V53 HydrophobicContact CG-CG2 4.35Å; E49-V53 WeakPolarHBondContact O-CB 3.32Å; E49-V53 VanDerWaalsContact O-CG2 3.25Å; E49-V53 WeakPolarHBondContact O-CG2 3.44Å; E49-V53 PolarHBondContact O-N 3.49Å |
| 50 | G | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -37.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L46 F47 F54 S62 Y66 | L46-G50 PolarHBondContact O-N 3.24Å; F47-G50 PolarHBondContact O-N 3.18Å; G50-F54 WeakPolarHBondContact O-CB 3.21Å; G50-F54 PolarHBondContact O-N 3.1Å; G50-S62 PolarHBondContact O-OG 2.87Å; G50-Y66 PolarHBondContact O-OH 2.99Å |
| 51 | N | 91.4 | Very high | 90.7 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.1 | -40.1 | 174.3 | -68.3 | -28.9 | 0 | 0 | 0 | 112.7 | F47 G48 E49 Q55 Y66 N94 I213 | F47-N51 VanDerWaalsContact CE1-ND2 3.28Å; F47-N51 WeakPolarHBondContact CE1-ND2 3.48Å; F47-N51 WeakPolarHBondContact CZ-ND2 3.39Å; F47-N51 PolarHBondContact O-N 2.9Å; F47-N51 PolarHBondContact O-ND2 3.27Å; G48-N51 PolarHBondContact O-N 3.42Å; E49-N51 VanDerWaalsContact C-N 3.28Å; E49-N51 PolarHBondContact O-N 3.1Å; N51-Q55 WeakPolarHBondContact O-CG 3.33Å; N51-Q55 PolarHBondContact O-N 3.41Å; N51-Q55 PolarHBondContact O-NE2 3.4Å; N51-Y66 WeakPolarHBondContact CA-OH 3.42Å; N51-Y66 PolarHBondContact N-OH 2.76Å; N51-Y66 PolarHBondContact OD1-OH 2.93Å; N51-N94 PolarHBondContact OD1-ND2 3.04Å; N51-I213 HydrophobicContact CB-CD1 3.97Å |
| 52 | D | 90.6 | Very high | 90.9 | Very high | 45 Ų | 45 | 37.3 Ų | 37.3 | 24% | 0.241 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.9 | -45.3 | 176.3 | -76.2 | -20.6 | 0 | 0 | 0 | 110.5 | R11 G48 E49 F54 Q55 E56 | R11-D52 IonicContact CZ-OD2 3.93Å; R11-D52 IonicContact NH1-OD2 3.63Å; R11-D52 PolarHBondContact NH1-OD2 2.93Å; R11-D52 IonicContact NH2-OD2 3.48Å; R11-D52 PolarHBondContact NH2-OD2 3.25Å; G48-D52 PolarHBondContact O-N 3.44Å; G48-D52 VanDerWaalsContact O-N 3.08Å; E49-D52 PolarHBondContact O-N 3.03Å; D52-F54 VanDerWaalsContact C-N 3.33Å; D52-F54 PolarHBondContact O-N 3.38Å; D52-Q55 PolarHBondContact O-N 3.4Å; D52-Q55 VanDerWaalsContact O-N 3.16Å; D52-E56 PolarHBondContact O-N 2.87Å |
| 53 | V | 91 | Very high | 91 | Very high | 12 Ų | 12 | 38 Ų | 38 | 7% | 0.073 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.6 | -32.3 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 112.3 | E49 E56 G57 E58 K61 | E49-V53 HydrophobicContact CG-CG2 4.35Å; E49-V53 WeakPolarHBondContact O-CB 3.32Å; E49-V53 VanDerWaalsContact O-CG2 3.25Å; E49-V53 WeakPolarHBondContact O-CG2 3.44Å; E49-V53 PolarHBondContact O-N 3.49Å; V53-E56 PolarHBondContact O-N 3.01Å; V53-G57 PolarHBondContact O-N 3.29Å; V53-E58 HydrophobicContact CG1-CB 3.82Å; V53-E58 PolarHBondContact O-N 2.97Å; V53-K61 HydrophobicContact CG1-CB 3.55Å |
| 54 | F | 90.5 | Very high | 91.1 | Very high | 18 Ų | 18 | 43 Ų | 43 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 171 | -171.8 | -85.7 | 0 | 0 | 0 | 111.7 | G50 D52 E56 G57 W59 S62 A97 A98 I213 | G50-F54 WeakPolarHBondContact O-CB 3.21Å; G50-F54 PolarHBondContact O-N 3.1Å; D52-F54 VanDerWaalsContact C-N 3.33Å; D52-F54 PolarHBondContact O-N 3.38Å; F54-E56 PolarHBondContact O-N 3.14Å; F54-G57 PolarHBondContact O-N 3.04Å; F54-W59 AromaticContact CD1-CZ3 3.77Å; F54-W59 HydrophobicContact CD1-CZ3 3.77Å; F54-W59 AromaticContact CD2-CE3 3.74Å; F54-W59 HydrophobicContact CD2-CE3 3.74Å; F54-W59 AromaticContact CD2-CZ3 3.71Å; F54-W59 HydrophobicContact CD2-CZ3 3.71Å; F54-W59 HydrophobicContact CE1-CH2 4.31Å; F54-W59 AromaticContact CE1-CZ3 3.63Å; F54-W59 HydrophobicContact CE1-CZ3 3.63Å; F54-W59 AromaticContact CE2-CE3 3.7Å; F54-W59 HydrophobicContact CE2-CE3 3.7Å; F54-W59 AromaticContact CE2-CZ3 3.58Å; F54-W59 HydrophobicContact CE2-CZ3 3.58Å; F54-W59 HydrophobicContact CG-CE3 4.2Å; F54-W59 AromaticContact CG-CZ3 3.81Å; F54-W59 HydrophobicContact CG-CZ3 3.81Å; F54-W59 HydrophobicContact CZ-CE3 4.12Å; F54-W59 HydrophobicContact CZ-CH2 4.34Å; F54-W59 AromaticContact CZ-CZ3 3.53Å; F54-W59 HydrophobicContact CZ-CZ3 3.53Å; F54-W59 WeakPolarHBondContact O-CZ3 3.47Å; F54-S62 WeakPolarHBondContact CB-OG 3.42Å; F54-A97 HydrophobicContact CE2-CB 3.97Å; F54-A97 HydrophobicContact CZ-CB 4.04Å; F54-A98 HydrophobicContact CD2-CB 4.1Å; F54-A98 HydrophobicContact CE2-CB 4.06Å; F54-I213 HydrophobicContact CB-CD1 3.78Å; F54-I213 HydrophobicContact CD1-CB 4.26Å; F54-I213 HydrophobicContact CD1-CD1 3.51Å; F54-I213 HydrophobicContact CD1-CG1 3.6Å; F54-I213 HydrophobicContact CD1-CG2 3.68Å; F54-I213 HydrophobicContact CD2-CG2 4.04Å; F54-I213 HydrophobicContact CE1-CB 4.25Å; F54-I213 HydrophobicContact CE1-CD1 4.31Å; F54-I213 HydrophobicContact CE1-CG1 3.91Å; F54-I213 HydrophobicContact CE1-CG2 3.43Å; F54-I213 VanDerWaalsContact CE1-CG2 3.43Å; F54-I213 HydrophobicContact CE2-CG2 3.8Å; F54-I213 HydrophobicContact CG-CD1 3.78Å; F54-I213 HydrophobicContact CG-CG1 4.28Å; F54-I213 HydrophobicContact CG-CG2 3.99Å; F54-I213 HydrophobicContact CZ-CG2 3.5Å; F54-I213 VanDerWaalsContact CZ-CG2 3.5Å |
| 55 | Q | 89.5 | Confident | 91.2 | Very high | 115 Ų | 115 | 41.6 Ų | 41.6 | 54% | 0.537 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.4 | -22.3 | 178.4 | -71 | 170 | 63.9 | 0 | 0 | 112.9 | N51 D52 G57 | N51-Q55 WeakPolarHBondContact O-CG 3.33Å; N51-Q55 PolarHBondContact O-N 3.41Å; N51-Q55 PolarHBondContact O-NE2 3.4Å; D52-Q55 PolarHBondContact O-N 3.4Å; D52-Q55 VanDerWaalsContact O-N 3.16Å; Q55-G57 VanDerWaalsContact C-N 3.27Å |
| 56 | E | 89.9 | Confident | 91.4 | Very high | 114 Ų | 114 | 40 Ų | 40 | 53% | 0.533 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -8.6 | 171.5 | -66.8 | 177.6 | 140.1 | 0 | 0 | 113.3 | R8 D52 V53 F54 E58 | R8-E56 IonicContact CZ-OE1 2.72Å; R8-E56 IonicContact CZ-OE2 2.86Å; R8-E56 IonicContact NH1-OE1 3.55Å; R8-E56 PolarHBondContact NH1-OE1 3.27Å; R8-E56 IonicContact NH1-OE2 2.76Å; R8-E56 PolarHBondContact NH1-OE2 3.23Å; R8-E56 VanDerWaalsContact NH1-OE2 3.1Å; R8-E56 IonicContact NH2-OE1 2.83Å; R8-E56 IonicContact NH2-OE2 3.56Å; R8-E56 PolarHBondContact NH2-OE2 3.13Å; D52-E56 PolarHBondContact O-N 2.87Å; V53-E56 PolarHBondContact O-N 3.01Å; F54-E56 PolarHBondContact O-N 3.14Å; E56-E58 VanDerWaalsContact C-N 3.33Å |
| 57 | G | 86.9 | Confident | 91.6 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 32% | 0.32 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 7.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V53 F54 Q55 W59 | V53-G57 PolarHBondContact O-N 3.29Å; F54-G57 PolarHBondContact O-N 3.04Å; Q55-G57 VanDerWaalsContact C-N 3.27Å; G57-W59 VanDerWaalsContact C-N 3.28Å; G57-W59 PolarHBondContact O-N 3.5Å; G57-W59 PolarHBondContact O-NE1 3.17Å |
| 58 | E | 91.5 | Very high | 91.8 | Very high | 84 Ų | 84 | 45 Ų | 45 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | trans | -86.4 | 64.1 | -176.9 | -72.2 | -79.4 | 145.5 | 0 | 0 | 110.7 | V53 E56 T60 K61 S62 | V53-E58 HydrophobicContact CG1-CB 3.82Å; V53-E58 PolarHBondContact O-N 2.97Å; E56-E58 VanDerWaalsContact C-N 3.33Å; E58-T60 VanDerWaalsContact C-N 3.27Å; E58-T60 PolarHBondContact O-N 2.91Å; E58-T60 VanDerWaalsContact O-N 3.12Å; E58-K61 HydrophobicContact CB-CB 4.43Å; E58-K61 HydrophobicContact CB-CD 4.26Å; E58-K61 PolarHBondContact O-N 3.46Å; E58-K61 VanDerWaalsContact O-N 3.11Å; E58-K61 WeakPolarHBondContact OE2-CE 3.5Å; E58-K61 IonicContact OE2-NZ 3.35Å; E58-K61 PolarHBondContact OE2-NZ 3.33Å; E58-S62 PolarHBondContact O-N 3.48Å | ||
| 59 | W | 90.9 | Very high | 92 | Very high | 75 Ų | 75 | 44.4 Ų | 44.4 | 28% | 0.284 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -53.7 | -37 | -168.5 | -43.6 | 124.5 | 0 | 0 | 0 | 114.5 | F54 G57 S62 I63 N101 | F54-W59 AromaticContact CD1-CZ3 3.77Å; F54-W59 HydrophobicContact CD1-CZ3 3.77Å; F54-W59 AromaticContact CD2-CE3 3.74Å; F54-W59 HydrophobicContact CD2-CE3 3.74Å; F54-W59 AromaticContact CD2-CZ3 3.71Å; F54-W59 HydrophobicContact CD2-CZ3 3.71Å; F54-W59 HydrophobicContact CE1-CH2 4.31Å; F54-W59 AromaticContact CE1-CZ3 3.63Å; F54-W59 HydrophobicContact CE1-CZ3 3.63Å; F54-W59 AromaticContact CE2-CE3 3.7Å; F54-W59 HydrophobicContact CE2-CE3 3.7Å; F54-W59 AromaticContact CE2-CZ3 3.58Å; F54-W59 HydrophobicContact CE2-CZ3 3.58Å; F54-W59 HydrophobicContact CG-CE3 4.2Å; F54-W59 AromaticContact CG-CZ3 3.81Å; F54-W59 HydrophobicContact CG-CZ3 3.81Å; F54-W59 HydrophobicContact CZ-CE3 4.12Å; F54-W59 HydrophobicContact CZ-CH2 4.34Å; F54-W59 AromaticContact CZ-CZ3 3.53Å; F54-W59 HydrophobicContact CZ-CZ3 3.53Å; F54-W59 WeakPolarHBondContact O-CZ3 3.47Å; G57-W59 VanDerWaalsContact C-N 3.28Å; G57-W59 PolarHBondContact O-N 3.5Å; G57-W59 PolarHBondContact O-NE1 3.17Å; W59-S62 PolarHBondContact O-N 3.31Å; W59-I63 WeakPolarHBondContact O-CD1 3.47Å; W59-I63 VanDerWaalsContact O-CG1 3.29Å; W59-I63 WeakPolarHBondContact O-CG1 3.25Å; W59-I63 PolarHBondContact O-N 2.95Å; W59-N101 HydrophobicContact CD2-CB 3.68Å; W59-N101 HydrophobicContact CE3-CB 4.12Å; W59-N101 HydrophobicContact CG-CB 4.01Å; W59-N101 HydrophobicContact CH2-CB 4.44Å; W59-N101 HydrophobicContact CZ2-CB 4.03Å; W59-N101 HydrophobicContact CZ3-CB 4.48Å; W59-N101 PolarHBondContact NE1-O 3.36Å |
| 60 | T | 91.4 | Very high | 92.1 | Very high | 66 Ų | 66 | 44.1 Ų | 44.1 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.2 | -50.1 | 177.8 | 44.7 | 0 | 0 | 0 | 0 | 112 | E58 S62 I63 E64 I102 | E58-T60 VanDerWaalsContact C-N 3.27Å; E58-T60 PolarHBondContact O-N 2.91Å; E58-T60 VanDerWaalsContact O-N 3.12Å; T60-S62 VanDerWaalsContact C-N 3.27Å; T60-S62 PolarHBondContact O-N 3.43Å; T60-I63 WeakPolarHBondContact O-CB 3.47Å; T60-I63 PolarHBondContact O-N 3.45Å; T60-I63 VanDerWaalsContact O-N 3.15Å; T60-E64 WeakPolarHBondContact O-CG 3.44Å; T60-E64 PolarHBondContact O-N 3.2Å; T60-I102 HydrophobicContact CG2-CD1 3.62Å; T60-I102 HydrophobicContact CG2-CG1 4.45Å |
| 61 | K | 91.5 | Very high | 92.3 | Very high | 103 Ų | 103 | 47.1 Ų | 47.1 | 45% | 0.448 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.2 | -33.4 | 177.1 | -65.7 | 172.6 | -173.7 | 146.6 | 0 | 111.7 | V53 E58 E64 M65 | V53-K61 HydrophobicContact CG1-CB 3.55Å; E58-K61 HydrophobicContact CB-CB 4.43Å; E58-K61 HydrophobicContact CB-CD 4.26Å; E58-K61 PolarHBondContact O-N 3.46Å; E58-K61 VanDerWaalsContact O-N 3.11Å; E58-K61 WeakPolarHBondContact OE2-CE 3.5Å; E58-K61 IonicContact OE2-NZ 3.35Å; E58-K61 PolarHBondContact OE2-NZ 3.33Å; K61-E64 WeakPolarHBondContact O-CB 3.45Å; K61-E64 PolarHBondContact O-N 3.05Å; K61-M65 VanDerWaalsContact O-CG 3.32Å; K61-M65 WeakPolarHBondContact O-CG 3.33Å; K61-M65 PolarHBondContact O-N 2.65Å |
| 62 | S | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.9 | -44 | 172.8 | -171 | 0 | 0 | 0 | 0 | 111.4 | G50 F54 E58 W59 T60 E64 M65 Y66 | G50-S62 PolarHBondContact O-OG 2.87Å; F54-S62 WeakPolarHBondContact CB-OG 3.42Å; E58-S62 PolarHBondContact O-N 3.48Å; W59-S62 PolarHBondContact O-N 3.31Å; T60-S62 VanDerWaalsContact C-N 3.27Å; T60-S62 PolarHBondContact O-N 3.43Å; S62-E64 PolarHBondContact O-N 2.93Å; S62-M65 PolarHBondContact O-N 2.9Å; S62-Y66 WeakPolarHBondContact O-CD2 3.19Å; S62-Y66 PolarHBondContact O-N 2.61Å; S62-Y66 WeakPolarHBondContact OG-CE2 3.48Å |
| 63 | I | 93.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 10% | 0.097 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 172 | -67.9 | 158.2 | 0 | 0 | 0 | 111.3 | W59 T60 T67 R95 A98 Y99 I102 | W59-I63 WeakPolarHBondContact O-CD1 3.47Å; W59-I63 VanDerWaalsContact O-CG1 3.29Å; W59-I63 WeakPolarHBondContact O-CG1 3.25Å; W59-I63 PolarHBondContact O-N 2.95Å; T60-I63 WeakPolarHBondContact O-CB 3.47Å; T60-I63 PolarHBondContact O-N 3.45Å; T60-I63 VanDerWaalsContact O-N 3.15Å; I63-T67 WeakPolarHBondContact O-CB 3.44Å; I63-T67 PolarHBondContact O-N 3.2Å; I63-T67 PolarHBondContact O-OG1 3.38Å; I63-R95 HydrophobicContact CG1-CG 4.49Å; I63-R95 HydrophobicContact CG2-CG 4.47Å; I63-A98 HydrophobicContact CD1-CB 4.16Å; I63-A98 HydrophobicContact CG1-CB 3.55Å; I63-Y99 HydrophobicContact CB-CE1 4.48Å; I63-Y99 HydrophobicContact CD1-CD1 3.54Å; I63-Y99 HydrophobicContact CD1-CE1 3.78Å; I63-Y99 HydrophobicContact CD1-CG 4.3Å; I63-Y99 HydrophobicContact CG1-CD1 4.04Å; I63-Y99 HydrophobicContact CG1-CE1 4.04Å; I63-Y99 HydrophobicContact CG2-CD1 4.42Å; I63-Y99 HydrophobicContact CG2-CE1 3.58Å; I63-I102 HydrophobicContact CD1-CD1 4.37Å |
| 64 | E | 94.2 | Very high | 92.5 | Very high | 106 Ų | 106 | 49.8 Ų | 49.8 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.8 | -53.5 | 176.4 | -70.2 | 159.9 | -166.6 | 0 | 0 | 110.8 | T60 K61 S62 Y66 T67 E68 | T60-E64 WeakPolarHBondContact O-CG 3.44Å; T60-E64 PolarHBondContact O-N 3.2Å; K61-E64 WeakPolarHBondContact O-CB 3.45Å; K61-E64 PolarHBondContact O-N 3.05Å; S62-E64 PolarHBondContact O-N 2.93Å; E64-Y66 PolarHBondContact O-N 3.37Å; E64-T67 PolarHBondContact O-N 2.91Å; E64-T67 VanDerWaalsContact O-N 3.12Å; E64-E68 PolarHBondContact O-N 3.36Å |
| 65 | M | 93.2 | Very high | 92.4 | Very high | 21 Ų | 21 | 52.4 Ų | 52.4 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | -178.7 | -65.4 | -60 | 93.3 | 0 | 0 | 113.5 | W12 L46 K61 S62 T67 A69 | W12-M65 HydrophobicContact CH2-SD 4.27Å; W12-M65 HydrophobicContact CZ3-SD 3.8Å; L46-M65 HydrophobicContact CD2-SD 4.09Å; K61-M65 VanDerWaalsContact O-CG 3.32Å; K61-M65 WeakPolarHBondContact O-CG 3.33Å; K61-M65 PolarHBondContact O-N 2.65Å; S62-M65 PolarHBondContact O-N 2.9Å; M65-T67 VanDerWaalsContact C-N 3.32Å; M65-A69 WeakPolarHBondContact O-CB 3.32Å; M65-A69 PolarHBondContact O-N 3.48Å |
| 66 | Y | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.9 | -30.8 | 174.2 | -60.5 | -44.8 | 0 | 0 | 0 | 112.7 | F47 G50 N51 S62 E64 L70 L91 N94 R95 | F47-Y66 HydrophobicContact CD2-CD1 4.17Å; F47-Y66 AromaticContact CD2-CE1 3.95Å; F47-Y66 HydrophobicContact CD2-CE1 3.95Å; F47-Y66 HydrophobicContact CE2-CE1 4.28Å; G50-Y66 PolarHBondContact O-OH 2.99Å; N51-Y66 WeakPolarHBondContact CA-OH 3.42Å; N51-Y66 PolarHBondContact N-OH 2.76Å; N51-Y66 PolarHBondContact OD1-OH 2.93Å; S62-Y66 WeakPolarHBondContact O-CD2 3.19Å; S62-Y66 PolarHBondContact O-N 2.61Å; S62-Y66 WeakPolarHBondContact OG-CE2 3.48Å; E64-Y66 PolarHBondContact O-N 3.37Å; Y66-L70 WeakPolarHBondContact O-CB 3.22Å; Y66-L70 WeakPolarHBondContact O-CG 3.48Å; Y66-L70 PolarHBondContact O-N 3.26Å; Y66-L91 HydrophobicContact CD1-CD2 3.83Å; Y66-L91 HydrophobicContact CG-CD2 4.38Å; Y66-N94 HydrophobicContact CE1-CB 4.2Å; Y66-N94 HydrophobicContact CE2-CB 3.96Å; Y66-R95 HydrophobicContact CD2-CB 3.77Å; Y66-R95 HydrophobicContact CD2-CG 4.14Å; Y66-R95 HydrophobicContact CG-CB 4.17Å |
| 67 | T | 95.1 | Very high | 92.4 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -74 | -38.1 | 177.3 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | I63 E64 M65 L70 S71 R95 | I63-T67 WeakPolarHBondContact O-CB 3.44Å; I63-T67 PolarHBondContact O-N 3.2Å; I63-T67 PolarHBondContact O-OG1 3.38Å; E64-T67 PolarHBondContact O-N 2.91Å; E64-T67 VanDerWaalsContact O-N 3.12Å; M65-T67 VanDerWaalsContact C-N 3.32Å; T67-L70 PolarHBondContact O-N 2.91Å; T67-S71 WeakPolarHBondContact O-CB 3.46Å; T67-S71 PolarHBondContact O-N 3.09Å; T67-S71 PolarHBondContact O-OG 2.96Å; T67-R95 VanDerWaalsContact OG1-CD 3.29Å; T67-R95 WeakPolarHBondContact OG1-CD 3.47Å; T67-R95 PolarHBondContact OG1-NH1 3.18Å |
| 68 | E | 94.4 | Very high | 92.5 | Very high | 61 Ų | 61 | 50.1 Ų | 50.1 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 171.3 | -168.5 | 121.8 | -135.6 | 0 | 0 | 110.1 | L19 L46 E64 L70 S71 I72 | L19-E68 HydrophobicContact CD1-CG 4.04Å; L19-E68 HydrophobicContact CD2-CG 3.65Å; L19-E68 WeakPolarHBondContact CD2-OE1 3.49Å; L46-E68 HydrophobicContact CD1-CB 4.48Å; L46-E68 HydrophobicContact CD1-CG 4.05Å; L46-E68 HydrophobicContact CD2-CB 4.34Å; L46-E68 HydrophobicContact CD2-CG 4.15Å; E64-E68 PolarHBondContact O-N 3.36Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.41Å; E68-S71 PolarHBondContact O-N 3.47Å; E68-S71 VanDerWaalsContact O-N 3.14Å; E68-I72 WeakPolarHBondContact O-CG1 3.5Å; E68-I72 PolarHBondContact O-N 3.42Å |
| 69 | A | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.7 | -44.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V43 L46 M65 I72 A73 L91 | V43-A69 HydrophobicContact CG1-CB 4.42Å; L46-A69 HydrophobicContact CB-CB 3.66Å; L46-A69 HydrophobicContact CD1-CB 4.45Å; M65-A69 WeakPolarHBondContact O-CB 3.32Å; M65-A69 PolarHBondContact O-N 3.48Å; A69-I72 PolarHBondContact O-N 2.92Å; A69-A73 PolarHBondContact O-N 2.95Å; A69-L91 HydrophobicContact CB-CD1 4.12Å; A69-L91 HydrophobicContact CB-CD2 3.55Å |
| 70 | L | 94.8 | Very high | 92 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 176.1 | -74.6 | 165.5 | 0 | 0 | 0 | 112 | Y66 T67 E68 I72 A73 D74 L88 L91 Y92 | Y66-L70 WeakPolarHBondContact O-CB 3.22Å; Y66-L70 WeakPolarHBondContact O-CG 3.48Å; Y66-L70 PolarHBondContact O-N 3.26Å; T67-L70 PolarHBondContact O-N 2.91Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.41Å; L70-I72 VanDerWaalsContact C-N 3.33Å; L70-I72 PolarHBondContact O-N 3.19Å; L70-A73 CarbonylContact O-C 3.41Å; L70-A73 WeakPolarHBondContact O-CA 3.46Å; L70-A73 WeakPolarHBondContact O-CB 3.35Å; L70-A73 PolarHBondContact O-N 3.31Å; L70-D74 PolarHBondContact O-N 3.15Å; L70-L88 HydrophobicContact CD2-CD2 3.92Å; L70-L91 HydrophobicContact CD1-CB 4.34Å; L70-L91 HydrophobicContact CD2-CB 3.85Å; L70-L91 HydrophobicContact CD2-CD1 4.02Å; L70-L91 HydrophobicContact CG-CB 4.03Å; L70-L91 HydrophobicContact CG-CD1 4.24Å; L70-Y92 HydrophobicContact CD1-CD1 3.79Å; L70-Y92 HydrophobicContact CD1-CE1 3.62Å; L70-Y92 HydrophobicContact CD2-CD1 4.38Å; L70-Y92 HydrophobicContact CD2-CD2 4.34Å; L70-Y92 HydrophobicContact CD2-CE1 3.95Å; L70-Y92 HydrophobicContact CD2-CE2 3.9Å; L70-Y92 HydrophobicContact CG-CE1 4.42Å |
| 71 | S | 94.3 | Very high | 91.9 | Very high | 63 Ų | 63 | 51.2 Ų | 51.2 | 44% | 0.441 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 176.2 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | T67 E68 A73 Y75 | T67-S71 WeakPolarHBondContact O-CB 3.46Å; T67-S71 PolarHBondContact O-N 3.09Å; T67-S71 PolarHBondContact O-OG 2.96Å; E68-S71 PolarHBondContact O-N 3.47Å; E68-S71 VanDerWaalsContact O-N 3.14Å; S71-A73 VanDerWaalsContact C-N 3.34Å; S71-Y75 WeakPolarHBondContact O-CB 3.36Å; S71-Y75 PolarHBondContact O-N 3.08Å |
| 72 | I | 92.9 | Very high | 91.6 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.2 | -31.2 | 172.2 | -60.6 | -44 | 0 | 0 | 0 | 111.3 | L19 I22 I39 L42 V43 L46 E68 A69 L70 A76 | L19-I72 HydrophobicContact CD2-CD1 4.12Å; L19-I72 HydrophobicContact CD2-CG1 4.11Å; I22-I72 HydrophobicContact CD1-CD1 3.79Å; I22-I72 HydrophobicContact CD1-CG1 4.35Å; I22-I72 HydrophobicContact CD1-CG2 3.85Å; I22-I72 HydrophobicContact CG2-CD1 4.17Å; I39-I72 HydrophobicContact CG2-CG2 4.32Å; L42-I72 HydrophobicContact CD2-CG1 4.43Å; L42-I72 HydrophobicContact CD2-CG2 4.22Å; V43-I72 HydrophobicContact CG2-CB 3.97Å; V43-I72 HydrophobicContact CG2-CG2 3.64Å; L46-I72 HydrophobicContact CD1-CG1 4.17Å; E68-I72 WeakPolarHBondContact O-CG1 3.5Å; E68-I72 PolarHBondContact O-N 3.42Å; A69-I72 PolarHBondContact O-N 2.92Å; L70-I72 VanDerWaalsContact C-N 3.33Å; L70-I72 PolarHBondContact O-N 3.19Å; I72-A76 WeakPolarHBondContact O-CB 3.33Å; I72-A76 PolarHBondContact O-N 2.95Å |
| 73 | A | 92.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 5% | 0.05 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.3 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V43 A69 L70 S71 Y75 A76 D77 V83 L88 | V43-A73 HydrophobicContact CG1-CB 4.46Å; V43-A73 HydrophobicContact CG2-CB 4.27Å; A69-A73 PolarHBondContact O-N 2.95Å; L70-A73 CarbonylContact O-C 3.41Å; L70-A73 WeakPolarHBondContact O-CA 3.46Å; L70-A73 WeakPolarHBondContact O-CB 3.35Å; L70-A73 PolarHBondContact O-N 3.31Å; S71-A73 VanDerWaalsContact C-N 3.34Å; A73-Y75 VanDerWaalsContact C-N 3.3Å; A73-A76 WeakPolarHBondContact O-CB 3.46Å; A73-A76 PolarHBondContact O-N 3.21Å; A73-D77 PolarHBondContact O-N 3.27Å; A73-V83 HydrophobicContact CB-CB 4.44Å; A73-V83 HydrophobicContact CB-CG1 4.42Å; A73-V83 HydrophobicContact CB-CG2 4.07Å; A73-L88 HydrophobicContact CB-CD2 3.74Å |
| 74 | D | 91.7 | Very high | 91.2 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 172.1 | -66.6 | -19.2 | 0 | 0 | 0 | 110.7 | L70 S78 | L70-D74 PolarHBondContact O-N 3.15Å; D74-S78 PolarHBondContact O-N 3.12Å |
| 75 | Y | 90 | Very high | 90.9 | Very high | 72 Ų | 72 | 52 Ų | 52 | 28% | 0.282 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 170.6 | 173.9 | -121.6 | 0 | 0 | 0 | 112.2 | I22 Y35 I39 S71 A73 D77 S78 E79 | I22-Y75 HydrophobicContact CD1-CD1 4.39Å; I22-Y75 HydrophobicContact CD1-CE1 4.5Å; I22-Y75 HydrophobicContact CG1-CE1 4.5Å; I22-Y75 HydrophobicContact CG2-CD1 3.95Å; I22-Y75 HydrophobicContact CG2-CE1 3.91Å; Y35-Y75 PolarHBondContact OH-OH 2.69Å; I39-Y75 HydrophobicContact CD1-CE1 4.47Å; S71-Y75 WeakPolarHBondContact O-CB 3.36Å; S71-Y75 PolarHBondContact O-N 3.08Å; A73-Y75 VanDerWaalsContact C-N 3.3Å; Y75-D77 VanDerWaalsContact C-N 3.34Å; Y75-D77 PolarHBondContact O-N 3.04Å; Y75-S78 PolarHBondContact O-N 3.03Å; Y75-S78 VanDerWaalsContact O-N 3.11Å; Y75-S78 PolarHBondContact O-OG 3.2Å; Y75-E79 HydrophobicContact CD2-CG 4.34Å; Y75-E79 HydrophobicContact CE1-CG 4.47Å; Y75-E79 HydrophobicContact CE2-CG 3.65Å; Y75-E79 VanDerWaalsContact CE2-OE1 3.25Å; Y75-E79 WeakPolarHBondContact CE2-OE1 3.34Å; Y75-E79 VanDerWaalsContact CZ-OE1 3.29Å; Y75-E79 PolarHBondContact O-N 3.06Å; Y75-E79 PolarHBondContact OH-OE1 3.35Å |
| 76 | A | 90.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | I39 I72 A73 S78 E79 D80 I81 V83 | I39-A76 HydrophobicContact CG2-CB 3.57Å; I72-A76 WeakPolarHBondContact O-CB 3.33Å; I72-A76 PolarHBondContact O-N 2.95Å; A73-A76 WeakPolarHBondContact O-CB 3.46Å; A73-A76 PolarHBondContact O-N 3.21Å; A76-S78 VanDerWaalsContact C-N 3.27Å; A76-S78 PolarHBondContact O-N 3.09Å; A76-E79 CarbonylContact O-C 3.58Å; A76-E79 PolarHBondContact O-N 3.19Å; A76-E79 VanDerWaalsContact O-N 3.07Å; A76-D80 PolarHBondContact O-N 2.92Å; A76-I81 CarbonylContact C-O 3.56Å; A76-I81 HydrophobicContact CB-CB 4.04Å; A76-I81 HydrophobicContact CB-CG2 4.34Å; A76-I81 WeakPolarHBondContact CB-O 3.37Å; A76-I81 WeakPolarHBondContact O-CA 3.14Å; A76-I81 WeakPolarHBondContact O-CB 3.26Å; A76-I81 PolarHBondContact O-N 3.43Å; A76-V83 HydrophobicContact CB-CG2 3.85Å |
| 77 | D | 88.9 | Confident | 90.3 | Very high | 126 Ų | 126 | 54.4 Ų | 54.4 | 67% | 0.674 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.2 | -37.7 | 175.3 | -163.9 | 66.3 | 0 | 0 | 0 | 111.8 | A73 Y75 E79 D80 | A73-D77 PolarHBondContact O-N 3.27Å; Y75-D77 VanDerWaalsContact C-N 3.34Å; Y75-D77 PolarHBondContact O-N 3.04Å; D77-E79 PolarHBondContact O-N 2.83Å; D77-D80 PolarHBondContact O-N 2.78Å; D77-D80 VanDerWaalsContact O-N 3.15Å |
| 78 | S | 88.9 | Confident | 90.1 | Very high | 86 Ų | 86 | 53.7 Ų | 53.7 | 60% | 0.601 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.8 | -13.1 | 176.6 | 77.4 | 0 | 0 | 0 | 0 | 115.4 | D74 Y75 A76 | D74-S78 PolarHBondContact O-N 3.12Å; Y75-S78 PolarHBondContact O-N 3.03Å; Y75-S78 VanDerWaalsContact O-N 3.11Å; Y75-S78 PolarHBondContact O-OG 3.2Å; A76-S78 VanDerWaalsContact C-N 3.27Å; A76-S78 PolarHBondContact O-N 3.09Å |
| 79 | E | 85.1 | Confident | 90 | Very high | 83 Ų | 83 | 52 Ų | 52 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 17.3 | 174.9 | -60.5 | -84.7 | -177.8 | 0 | 0 | 111.6 | Y75 A76 D77 I81 | Y75-E79 HydrophobicContact CD2-CG 4.34Å; Y75-E79 HydrophobicContact CE1-CG 4.47Å; Y75-E79 HydrophobicContact CE2-CG 3.65Å; Y75-E79 VanDerWaalsContact CE2-OE1 3.25Å; Y75-E79 WeakPolarHBondContact CE2-OE1 3.34Å; Y75-E79 VanDerWaalsContact CZ-OE1 3.29Å; Y75-E79 PolarHBondContact O-N 3.06Å; Y75-E79 PolarHBondContact OH-OE1 3.35Å; A76-E79 CarbonylContact O-C 3.58Å; A76-E79 PolarHBondContact O-N 3.19Å; A76-E79 VanDerWaalsContact O-N 3.07Å; D77-E79 PolarHBondContact O-N 2.83Å; E79-I81 HydrophobicContact CB-CD1 4.08Å; E79-I81 HydrophobicContact CB-CG1 4.05Å; E79-I81 WeakPolarHBondContact O-CG1 3.49Å; E79-I81 PolarHBondContact O-N 2.98Å |
| 80 | D | 86.6 | Confident | 89.9 | Confident | 163 Ų | 163 | 53.5 Ų | 53.5 | 87% | 0.872 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 16.3 | -172.9 | -73 | -54 | 0 | 0 | 0 | 114.9 | A76 D77 C82 | A76-D80 PolarHBondContact O-N 2.92Å; D77-D80 PolarHBondContact O-N 2.78Å; D77-D80 VanDerWaalsContact O-N 3.15Å; D80-C82 PolarHBondContact O-N 3.17Å |
| 81 | I | 88.5 | Confident | 89.8 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | trans | -90.8 | 90.9 | -176.2 | -53 | 179.7 | 0 | 0 | 0 | 111 | Y35 E36 I39 A76 E79 V83 | Y35-I81 HydrophobicContact CD1-CD1 3.8Å; Y35-I81 HydrophobicContact CE1-CD1 3.55Å; E36-I81 HydrophobicContact CB-CG2 4.21Å; E36-I81 HydrophobicContact CG-CD1 4.21Å; E36-I81 HydrophobicContact CG-CG1 4.09Å; E36-I81 HydrophobicContact CG-CG2 3.97Å; I39-I81 HydrophobicContact CG1-CD1 4.22Å; I39-I81 HydrophobicContact CG2-CG2 4.47Å; A76-I81 CarbonylContact C-O 3.56Å; A76-I81 HydrophobicContact CB-CB 4.04Å; A76-I81 HydrophobicContact CB-CG2 4.34Å; A76-I81 WeakPolarHBondContact CB-O 3.37Å; A76-I81 WeakPolarHBondContact O-CA 3.14Å; A76-I81 WeakPolarHBondContact O-CB 3.26Å; A76-I81 PolarHBondContact O-N 3.43Å; E79-I81 HydrophobicContact CB-CD1 4.08Å; E79-I81 HydrophobicContact CB-CG1 4.05Å; E79-I81 WeakPolarHBondContact O-CG1 3.49Å; E79-I81 PolarHBondContact O-N 2.98Å; I81-V83 PolarHBondContact O-N 3.02Å | ||
| 82 | C | 86.4 | Confident | 89.9 | Confident | 92 Ų | 92 | 51.8 Ų | 51.8 | 62% | 0.622 | 29% | 0.29 | S | S | * | . | trans | -59.2 | 110.8 | 178.1 | -173.7 | 0 | 0 | 0 | 0 | 113 | K40 D80 | K40-C82 WeakPolarHBondContact CE-O 3.13Å; D80-C82 PolarHBondContact O-N 3.17Å | ||
| 83 | V | 88.2 | Confident | 89.9 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 9% | 0.085 | 29% | 0.287 | C | S | . | . | trans | -80.7 | 141.2 | 163.9 | 177.1 | 0 | 0 | 0 | 0 | 109 | V43 A73 A76 I81 T85 L88 | V43-V83 HydrophobicContact CG1-CG1 4.41Å; A73-V83 HydrophobicContact CB-CB 4.44Å; A73-V83 HydrophobicContact CB-CG1 4.42Å; A73-V83 HydrophobicContact CB-CG2 4.07Å; A76-V83 HydrophobicContact CB-CG2 3.85Å; I81-V83 PolarHBondContact O-N 3.02Å; V83-T85 PolarHBondContact O-N 2.83Å; V83-L88 HydrophobicContact CG1-CD2 4.27Å; V83-L88 HydrophobicContact CG1-CG 4.31Å | ||
| 84 | P | 88.8 | Confident | 90 | Very high | 56 Ų | 56 | 50.9 Ų | 50.9 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | trans | -65.5 | 134.2 | -178.9 | -19.1 | 31.2 | 0 | 0 | 0 | 112.7 | S86 V87 L88 | P84-S86 PolarHBondContact O-N 3.03Å; P84-V87 HydrophobicContact CB-CG2 4.17Å; P84-V87 HydrophobicContact CG-CG2 4.34Å; P84-V87 WeakPolarHBondContact O-CB 3.35Å; P84-V87 PolarHBondContact O-N 2.93Å; P84-L88 PolarHBondContact O-N 3.21Å | ||
| 85 | T | 87.5 | Confident | 90.1 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.6 | -31.6 | 177.1 | 49.6 | 0 | 0 | 0 | 0 | 113 | V83 V87 L88 E89 L120 | V83-T85 PolarHBondContact O-N 2.83Å; T85-V87 PolarHBondContact O-N 2.84Å; T85-L88 PolarHBondContact O-N 2.87Å; T85-E89 PolarHBondContact O-N 2.88Å; T85-L120 HydrophobicContact CG2-CD2 4.18Å |
| 86 | S | 87.5 | Confident | 90.3 | Very high | 60 Ų | 60 | 43.7 Ų | 43.7 | 42% | 0.42 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.6 | -6 | 175.3 | 57.7 | 0 | 0 | 0 | 0 | 115.2 | P84 E89 K90 | P84-S86 PolarHBondContact O-N 3.03Å; S86-E89 WeakPolarHBondContact CA-OE1 3.29Å; S86-K90 VanDerWaalsContact O-CD 3.28Å; S86-K90 WeakPolarHBondContact O-CD 3.37Å; S86-K90 WeakPolarHBondContact O-CE 3.3Å; S86-K90 WeakPolarHBondContact O-CG 3.41Å |
| 87 | V | 88.5 | Confident | 90.5 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -95.5 | -42.2 | 166.8 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | V43 W44 P84 T85 E89 K90 L91 | V43-V87 HydrophobicContact CG1-CG1 4.48Å; W44-V87 HydrophobicContact CE3-CG2 4.18Å; W44-V87 HydrophobicContact CZ3-CG1 4.43Å; W44-V87 HydrophobicContact CZ3-CG2 3.74Å; P84-V87 HydrophobicContact CB-CG2 4.17Å; P84-V87 HydrophobicContact CG-CG2 4.34Å; P84-V87 WeakPolarHBondContact O-CB 3.35Å; P84-V87 PolarHBondContact O-N 2.93Å; T85-V87 PolarHBondContact O-N 2.84Å; V87-E89 PolarHBondContact O-N 2.96Å; V87-K90 PolarHBondContact O-N 3.08Å; V87-L91 HydrophobicContact CG1-CD1 4.1Å; V87-L91 PolarHBondContact O-N 3.05Å |
| 88 | L | 90.8 | Very high | 90.6 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 16% | 0.162 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 176.5 | -62.3 | 175.7 | 0 | 0 | 0 | 112.1 | L70 A73 V83 P84 T85 K90 L91 Y92 L120 | L70-L88 HydrophobicContact CD2-CD2 3.92Å; A73-L88 HydrophobicContact CB-CD2 3.74Å; V83-L88 HydrophobicContact CG1-CD2 4.27Å; V83-L88 HydrophobicContact CG1-CG 4.31Å; P84-L88 PolarHBondContact O-N 3.21Å; T85-L88 PolarHBondContact O-N 2.87Å; L88-K90 PolarHBondContact O-N 3.21Å; L88-L91 HydrophobicContact CD2-CD1 4.46Å; L88-L91 PolarHBondContact O-N 3.48Å; L88-Y92 WeakPolarHBondContact O-CD2 3.39Å; L88-Y92 PolarHBondContact O-N 2.69Å; L88-L120 HydrophobicContact CB-CD1 3.62Å |
| 89 | E | 92.6 | Very high | 90.8 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -37.1 | 176.9 | 77.8 | -177.5 | 161.5 | 0 | 0 | 112 | T85 S86 V87 A93 L120 N121 | T85-E89 PolarHBondContact O-N 2.88Å; S86-E89 WeakPolarHBondContact CA-OE1 3.29Å; V87-E89 PolarHBondContact O-N 2.96Å; E89-A93 WeakPolarHBondContact O-CB 3.31Å; E89-A93 PolarHBondContact O-N 3.36Å; E89-L120 HydrophobicContact CB-CB 4.17Å; E89-L120 HydrophobicContact CB-CD1 4.26Å; E89-N121 WeakPolarHBondContact OE2-CB 3.38Å; E89-N121 PolarHBondContact OE2-ND2 3.47Å |
| 90 | K | 92.2 | Very high | 91.1 | Very high | 33 Ų | 33 | 31.9 Ų | 31.9 | 14% | 0.143 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -80.9 | -38.1 | -176.9 | -62 | -179 | -170.6 | -122.9 | 0 | 111.4 | F47 S86 V87 L88 A93 N94 E214 | F47-K90 HydrophobicContact CE2-CB 4.06Å; F47-K90 HydrophobicContact CZ-CB 3.79Å; S86-K90 VanDerWaalsContact O-CD 3.28Å; S86-K90 WeakPolarHBondContact O-CD 3.37Å; S86-K90 WeakPolarHBondContact O-CE 3.3Å; S86-K90 WeakPolarHBondContact O-CG 3.41Å; V87-K90 PolarHBondContact O-N 3.08Å; L88-K90 PolarHBondContact O-N 3.21Å; K90-A93 PolarHBondContact O-N 2.92Å; K90-N94 VanDerWaalsContact O-CB 3.25Å; K90-N94 WeakPolarHBondContact O-CB 3.21Å; K90-N94 PolarHBondContact O-N 3.42Å; K90-E214 HydrophobicContact CD-CB 4.38Å; K90-E214 WeakPolarHBondContact CD-OE2 3.39Å; K90-E214 VanDerWaalsContact CE-OE2 3.31Å; K90-E214 WeakPolarHBondContact CE-OE2 3.49Å; K90-E214 HydrophobicContact CG-CB 4.48Å; K90-E214 HydrophobicContact CG-CG 4.42Å; K90-E214 IonicContact NZ-OE2 3.73Å; K90-E214 PolarHBondContact NZ-OE2 3.3Å |
| 91 | L | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.5 | -53.4 | 170.2 | -85.6 | 165.1 | 0 | 0 | 0 | 111 | V43 F47 Y66 A69 L70 V87 L88 N94 R95 | V43-L91 HydrophobicContact CG1-CD1 4Å; F47-L91 HydrophobicContact CB-CD2 4.07Å; F47-L91 HydrophobicContact CB-CG 4.47Å; F47-L91 HydrophobicContact CD2-CD2 3.68Å; F47-L91 HydrophobicContact CD2-CG 3.88Å; F47-L91 HydrophobicContact CG-CD2 4.29Å; F47-L91 HydrophobicContact CG-CG 4.43Å; Y66-L91 HydrophobicContact CD1-CD2 3.83Å; Y66-L91 HydrophobicContact CG-CD2 4.38Å; A69-L91 HydrophobicContact CB-CD1 4.12Å; A69-L91 HydrophobicContact CB-CD2 3.55Å; L70-L91 HydrophobicContact CD1-CB 4.34Å; L70-L91 HydrophobicContact CD2-CB 3.85Å; L70-L91 HydrophobicContact CD2-CD1 4.02Å; L70-L91 HydrophobicContact CG-CB 4.03Å; L70-L91 HydrophobicContact CG-CD1 4.24Å; V87-L91 HydrophobicContact CG1-CD1 4.1Å; V87-L91 PolarHBondContact O-N 3.05Å; L88-L91 HydrophobicContact CD2-CD1 4.46Å; L88-L91 PolarHBondContact O-N 3.48Å; L91-N94 PolarHBondContact O-N 3.27Å; L91-R95 VanDerWaalsContact O-CB 3.29Å; L91-R95 WeakPolarHBondContact O-CB 3.38Å; L91-R95 PolarHBondContact O-N 2.8Å |
| 92 | Y | 95.6 | Very high | 91.2 | Very high | 31 Ų | 31 | 28.6 Ų | 28.6 | 12% | 0.122 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 176.4 | -73.3 | -57.1 | 0 | 0 | 0 | 112.1 | L70 L88 N94 R95 A96 D113 K116 L120 | L70-Y92 HydrophobicContact CD1-CD1 3.79Å; L70-Y92 HydrophobicContact CD1-CE1 3.62Å; L70-Y92 HydrophobicContact CD2-CD1 4.38Å; L70-Y92 HydrophobicContact CD2-CD2 4.34Å; L70-Y92 HydrophobicContact CD2-CE1 3.95Å; L70-Y92 HydrophobicContact CD2-CE2 3.9Å; L70-Y92 HydrophobicContact CG-CE1 4.42Å; L88-Y92 WeakPolarHBondContact O-CD2 3.39Å; L88-Y92 PolarHBondContact O-N 2.69Å; Y92-N94 PolarHBondContact O-N 3.1Å; Y92-R95 PolarHBondContact O-N 3.49Å; Y92-A96 WeakPolarHBondContact O-CB 3.46Å; Y92-A96 PolarHBondContact O-N 3.08Å; Y92-D113 HydrophobicContact CD1-CB 4.35Å; Y92-D113 WeakPolarHBondContact CD1-OD1 3.38Å; Y92-K116 HydrophobicContact CD1-CB 3.99Å; Y92-K116 HydrophobicContact CD1-CD 3.98Å; Y92-K116 HydrophobicContact CD2-CB 3.87Å; Y92-K116 HydrophobicContact CE1-CB 4.11Å; Y92-K116 HydrophobicContact CE1-CD 3.46Å; Y92-K116 VanDerWaalsContact CE1-CD 3.46Å; Y92-K116 HydrophobicContact CE1-CG 4.4Å; Y92-K116 HydrophobicContact CE2-CB 4Å; Y92-K116 HydrophobicContact CE2-CD 4.49Å; Y92-K116 HydrophobicContact CG-CB 3.88Å; Y92-L120 HydrophobicContact CD2-CD1 4.04Å; Y92-L120 HydrophobicContact CE2-CD1 4.3Å |
| 93 | A | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E89 K90 A97 A117 R130 | E89-A93 WeakPolarHBondContact O-CB 3.31Å; E89-A93 PolarHBondContact O-N 3.36Å; K90-A93 PolarHBondContact O-N 2.92Å; A93-A97 PolarHBondContact O-N 3.38Å; A93-A117 HydrophobicContact CB-CB 4.35Å; A93-R130 VanDerWaalsContact C-NH1 3.33Å; A93-R130 WeakPolarHBondContact O-CD 3.33Å; A93-R130 PolarHBondContact O-NH1 3.17Å |
| 94 | N | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -78.4 | -34.2 | 179.3 | -73.1 | -3.2 | 0 | 0 | 0 | 112 | N51 Y66 K90 L91 Y92 A97 A98 R130 I213 E214 | N51-N94 PolarHBondContact OD1-ND2 3.04Å; Y66-N94 HydrophobicContact CE1-CB 4.2Å; Y66-N94 HydrophobicContact CE2-CB 3.96Å; K90-N94 VanDerWaalsContact O-CB 3.25Å; K90-N94 WeakPolarHBondContact O-CB 3.21Å; K90-N94 PolarHBondContact O-N 3.42Å; L91-N94 PolarHBondContact O-N 3.27Å; Y92-N94 PolarHBondContact O-N 3.1Å; N94-A97 VanDerWaalsContact O-CB 3.3Å; N94-A97 WeakPolarHBondContact O-CB 3.35Å; N94-A97 PolarHBondContact O-N 2.96Å; N94-A97 VanDerWaalsContact O-N 3.13Å; N94-A98 PolarHBondContact O-N 3.21Å; N94-A98 VanDerWaalsContact O-N 3.11Å; N94-R130 PolarHBondContact OD1-NH1 2.94Å; N94-I213 HydrophobicContact CB-CB 4.46Å; N94-I213 HydrophobicContact CB-CG2 4.08Å; N94-I213 WeakPolarHBondContact OD1-CB 3.38Å; N94-E214 PolarHBondContact ND2-N 2.59Å; N94-E214 PolarHBondContact ND2-O 3.49Å; N94-E214 PolarHBondContact OD1-N 3.22Å |
| 95 | R | 94.8 | Very high | 88.9 | Confident | 23 Ų | 23 | 33.2 Ų | 33.2 | 9% | 0.087 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.5 | -40.1 | 172 | -165.4 | 174.8 | 66.4 | 178.1 | -3.8 | 112 | I63 Y66 T67 L91 Y92 A97 A98 Y99 D113 | I63-R95 HydrophobicContact CG1-CG 4.49Å; I63-R95 HydrophobicContact CG2-CG 4.47Å; Y66-R95 HydrophobicContact CD2-CB 3.77Å; Y66-R95 HydrophobicContact CD2-CG 4.14Å; Y66-R95 HydrophobicContact CG-CB 4.17Å; T67-R95 VanDerWaalsContact OG1-CD 3.29Å; T67-R95 WeakPolarHBondContact OG1-CD 3.47Å; T67-R95 PolarHBondContact OG1-NH1 3.18Å; L91-R95 VanDerWaalsContact O-CB 3.29Å; L91-R95 WeakPolarHBondContact O-CB 3.38Å; L91-R95 PolarHBondContact O-N 2.8Å; Y92-R95 PolarHBondContact O-N 3.49Å; R95-A97 PolarHBondContact O-N 2.84Å; R95-A98 PolarHBondContact O-N 2.91Å; R95-Y99 HydrophobicContact CG-CD2 4.07Å; R95-Y99 HydrophobicContact CG-CE2 3.66Å; R95-Y99 WeakPolarHBondContact O-CD2 2.93Å; R95-Y99 PolarHBondContact O-N 3.47Å; R95-D113 WeakPolarHBondContact CB-OD2 3.31Å; R95-D113 IonicContact CZ-OD1 2.64Å; R95-D113 IonicContact CZ-OD2 2.73Å; R95-D113 IonicContact NE-OD1 3.97Å; R95-D113 IonicContact NE-OD2 3.28Å; R95-D113 PolarHBondContact NE-OD2 3.05Å; R95-D113 IonicContact NH2-OD1 3.02Å; R95-D113 PolarHBondContact NH2-OD1 3.11Å; R95-D113 IonicContact NH2-OD2 3.51Å; R95-D113 PolarHBondContact NH2-OD2 3.41Å |
| 96 | A | 94.2 | Very high | 89 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -35.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y92 L100 D113 C114 | Y92-A96 WeakPolarHBondContact O-CB 3.46Å; Y92-A96 PolarHBondContact O-N 3.08Å; A96-L100 VanDerWaalsContact O-CG 3.31Å; A96-L100 WeakPolarHBondContact O-CG 3.22Å; A96-L100 PolarHBondContact O-N 3.46Å; A96-L100 VanDerWaalsContact O-N 3.15Å; A96-D113 HydrophobicContact CB-CB 3.85Å; A96-C114 VanDerWaalsContact CB-SG 3.57Å |
| 97 | A | 93.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -36.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | F54 A93 N94 R95 L100 N101 I213 | F54-A97 HydrophobicContact CE2-CB 3.97Å; F54-A97 HydrophobicContact CZ-CB 4.04Å; A93-A97 PolarHBondContact O-N 3.38Å; N94-A97 VanDerWaalsContact O-CB 3.3Å; N94-A97 WeakPolarHBondContact O-CB 3.35Å; N94-A97 PolarHBondContact O-N 2.96Å; N94-A97 VanDerWaalsContact O-N 3.13Å; R95-A97 PolarHBondContact O-N 2.84Å; A97-L100 PolarHBondContact O-N 2.86Å; A97-N101 PolarHBondContact O-N 3.39Å; A97-N101 PolarHBondContact O-ND2 3.19Å; A97-I213 HydrophobicContact CB-CG2 3.94Å |
| 98 | A | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.7 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F54 I63 N94 R95 L100 N101 I102 | F54-A98 HydrophobicContact CD2-CB 4.1Å; F54-A98 HydrophobicContact CE2-CB 4.06Å; I63-A98 HydrophobicContact CD1-CB 4.16Å; I63-A98 HydrophobicContact CG1-CB 3.55Å; N94-A98 PolarHBondContact O-N 3.21Å; N94-A98 VanDerWaalsContact O-N 3.11Å; R95-A98 PolarHBondContact O-N 2.91Å; A98-L100 PolarHBondContact O-N 2.72Å; A98-N101 PolarHBondContact O-N 2.92Å; A98-I102 PolarHBondContact O-N 3.4Å; A98-I102 VanDerWaalsContact O-N 3.11Å |
| 99 | Y | 92.8 | Very high | 89.4 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 9% | 0.086 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -23.1 | 171.5 | -72.1 | -51.3 | 0 | 0 | 0 | 114.1 | I63 R95 I102 L106 Q109 D113 | I63-Y99 HydrophobicContact CB-CE1 4.48Å; I63-Y99 HydrophobicContact CD1-CD1 3.54Å; I63-Y99 HydrophobicContact CD1-CE1 3.78Å; I63-Y99 HydrophobicContact CD1-CG 4.3Å; I63-Y99 HydrophobicContact CG1-CD1 4.04Å; I63-Y99 HydrophobicContact CG1-CE1 4.04Å; I63-Y99 HydrophobicContact CG2-CD1 4.42Å; I63-Y99 HydrophobicContact CG2-CE1 3.58Å; R95-Y99 HydrophobicContact CG-CD2 4.07Å; R95-Y99 HydrophobicContact CG-CE2 3.66Å; R95-Y99 WeakPolarHBondContact O-CD2 2.93Å; R95-Y99 PolarHBondContact O-N 3.47Å; Y99-I102 WeakPolarHBondContact O-CG2 3.31Å; Y99-L106 HydrophobicContact CD1-CB 3.95Å; Y99-L106 HydrophobicContact CD1-CD1 4.02Å; Y99-L106 HydrophobicContact CE1-CD1 4.2Å; Y99-L106 PolarHBondContact O-N 3.22Å; Y99-L106 VanDerWaalsContact O-N 3.08Å; Y99-Q109 HydrophobicContact CD1-CB 4.26Å; Y99-Q109 HydrophobicContact CD2-CB 3.98Å; Y99-Q109 HydrophobicContact CE1-CB 4.21Å; Y99-Q109 HydrophobicContact CE2-CB 3.91Å; Y99-Q109 HydrophobicContact CG-CB 4.16Å; Y99-D113 WeakPolarHBondContact CE2-OD2 3.32Å |
| 100 | L | 91.1 | Very high | 89.4 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 11% | 0.105 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -15.2 | 174.2 | -76.6 | 168.9 | 0 | 0 | 0 | 114.7 | A96 A97 A98 Y107 A110 R130 K133 A134 | A96-L100 VanDerWaalsContact O-CG 3.31Å; A96-L100 WeakPolarHBondContact O-CG 3.22Å; A96-L100 PolarHBondContact O-N 3.46Å; A96-L100 VanDerWaalsContact O-N 3.15Å; A97-L100 PolarHBondContact O-N 2.86Å; A98-L100 PolarHBondContact O-N 2.72Å; L100-Y107 HydrophobicContact CD2-CD1 3.87Å; L100-Y107 HydrophobicContact CD2-CE1 4.14Å; L100-A110 HydrophobicContact CD2-CB 4.2Å; L100-A110 HydrophobicContact CG-CB 3.91Å; L100-R130 HydrophobicContact CD1-CB 3.66Å; L100-R130 HydrophobicContact CD1-CG 3.9Å; L100-K133 HydrophobicContact CD1-CB 4.45Å; L100-K133 HydrophobicContact CD2-CG 4.44Å; L100-A134 HydrophobicContact CD2-CB 4.1Å |
| 101 | N | 88.4 | Confident | 89.5 | Confident | 59 Ų | 59 | 38.2 Ų | 38.2 | 32% | 0.316 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -15.8 | -178.5 | -75.4 | -72.1 | 0 | 0 | 0 | 113.8 | W59 A97 A98 | W59-N101 HydrophobicContact CD2-CB 3.68Å; W59-N101 HydrophobicContact CE3-CB 4.12Å; W59-N101 HydrophobicContact CG-CB 4.01Å; W59-N101 HydrophobicContact CH2-CB 4.44Å; W59-N101 HydrophobicContact CZ2-CB 4.03Å; W59-N101 HydrophobicContact CZ3-CB 4.48Å; W59-N101 PolarHBondContact NE1-O 3.36Å; A97-N101 PolarHBondContact O-N 3.39Å; A97-N101 PolarHBondContact O-ND2 3.19Å; A98-N101 PolarHBondContact O-N 2.92Å |
| 102 | I | 88.4 | Confident | 89.6 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 20% | 0.2 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -64.9 | 151.6 | 167.4 | -160.5 | 170.7 | 0 | 0 | 0 | 111 | T60 I63 A98 Y99 P104 G105 L106 | T60-I102 HydrophobicContact CG2-CD1 3.62Å; T60-I102 HydrophobicContact CG2-CG1 4.45Å; I63-I102 HydrophobicContact CD1-CD1 4.37Å; A98-I102 PolarHBondContact O-N 3.4Å; A98-I102 VanDerWaalsContact O-N 3.11Å; Y99-I102 WeakPolarHBondContact O-CG2 3.31Å; I102-P104 CarbonylContact O-C 3.13Å; I102-G105 VanDerWaalsContact O-CA 3.25Å; I102-G105 WeakPolarHBondContact O-CA 3.42Å; I102-G105 PolarHBondContact O-N 2.84Å; I102-L106 HydrophobicContact CG2-CD1 4.36Å; I102-L106 HydrophobicContact CG2-CG 4.17Å |
| 103 | V | 75.3 | Confident | 89.5 | Confident | 137 Ų | 137 | 41.8 Ų | 41.8 | 83% | 0.83 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -124.7 | 122.8 | -178.5 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 104 | P | 69.9 | Low | 89.6 | Confident | 110 Ų | 110 | 41.8 Ų | 41.8 | 71% | 0.714 | 22% | 0.222 | S | C | * | . | S | Bend | cis | -67.2 | 147.9 | -9.7 | 30.9 | -35.3 | 0 | 0 | 0 | 111.8 | I102 | I102-P104 CarbonylContact O-C 3.13Š|
| 105 | G | 70.9 | Confident | 89.7 | Confident | 11 Ų | 11 | 45.1 Ų | 45.1 | 11% | 0.113 | 24% | 0.238 | C | C | . | . | trans | -66.9 | 139.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I102 Y107 | I102-G105 VanDerWaalsContact O-CA 3.25Å; I102-G105 WeakPolarHBondContact O-CA 3.42Å; I102-G105 PolarHBondContact O-N 2.84Å; G105-Y107 VanDerWaalsContact C-N 3.29Å; G105-Y107 VanDerWaalsContact O-CD2 3.28Å; G105-Y107 WeakPolarHBondContact O-CD2 3.43Å; G105-Y107 WeakPolarHBondContact O-CE2 3.43Å; G105-Y107 PolarHBondContact O-N 3.04Å; G105-Y107 VanDerWaalsContact O-N 3.15Å | ||
| 106 | L | 88.1 | Confident | 89.7 | Confident | 73 Ų | 73 | 47.3 Ų | 47.3 | 38% | 0.382 | 25% | 0.248 | S | C | . | . | trans | -92.4 | 67 | -179.1 | -63.9 | 172.5 | 0 | 0 | 0 | 109.2 | Y99 I102 D108 Q109 A110 | Y99-L106 HydrophobicContact CD1-CB 3.95Å; Y99-L106 HydrophobicContact CD1-CD1 4.02Å; Y99-L106 HydrophobicContact CE1-CD1 4.2Å; Y99-L106 PolarHBondContact O-N 3.22Å; Y99-L106 VanDerWaalsContact O-N 3.08Å; I102-L106 HydrophobicContact CG2-CD1 4.36Å; I102-L106 HydrophobicContact CG2-CG 4.17Å; L106-D108 VanDerWaalsContact C-N 3.33Å; L106-D108 PolarHBondContact O-N 2.89Å; L106-Q109 HydrophobicContact CB-CB 4.38Å; L106-Q109 PolarHBondContact O-N 3.07Å; L106-A110 PolarHBondContact O-N 2.7Å | ||
| 107 | Y | 91.1 | Very high | 89.6 | Confident | 70 Ų | 70 | 47.3 Ų | 47.3 | 28% | 0.275 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.9 | -32.8 | -166.7 | -55.9 | -63.9 | 0 | 0 | 0 | 114.4 | L100 G105 L111 E137 M138 | L100-Y107 HydrophobicContact CD2-CD1 3.87Å; L100-Y107 HydrophobicContact CD2-CE1 4.14Å; G105-Y107 VanDerWaalsContact C-N 3.29Å; G105-Y107 VanDerWaalsContact O-CD2 3.28Å; G105-Y107 WeakPolarHBondContact O-CD2 3.43Å; G105-Y107 WeakPolarHBondContact O-CE2 3.43Å; G105-Y107 PolarHBondContact O-N 3.04Å; G105-Y107 VanDerWaalsContact O-N 3.15Å; Y107-L111 WeakPolarHBondContact O-CB 3.45Å; Y107-L111 PolarHBondContact O-N 3.31Å; Y107-E137 HydrophobicContact CD1-CB 4.04Å; Y107-E137 HydrophobicContact CD1-CG 4.36Å; Y107-E137 HydrophobicContact CD2-CB 4.22Å; Y107-E137 HydrophobicContact CE1-CB 3.76Å; Y107-E137 HydrophobicContact CE1-CG 3.77Å; Y107-E137 HydrophobicContact CE2-CB 3.94Å; Y107-E137 HydrophobicContact CG-CB 4.27Å; Y107-M138 HydrophobicContact CG-CG 4.37Å; Y107-M138 WeakPolarHBondContact O-CE 3.39Å |
| 108 | D | 91.4 | Very high | 89.6 | Confident | 108 Ų | 108 | 48.1 Ų | 48.1 | 58% | 0.578 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65.6 | -46.8 | 174.8 | -57.3 | -82.8 | 0 | 0 | 0 | 111.3 | L106 A110 L111 E112 | L106-D108 VanDerWaalsContact C-N 3.33Å; L106-D108 PolarHBondContact O-N 2.89Å; D108-A110 PolarHBondContact O-N 3.45Å; D108-L111 WeakPolarHBondContact O-CB 3.39Å; D108-L111 PolarHBondContact O-N 3.48Å; D108-L111 VanDerWaalsContact O-N 3.09Å; D108-E112 PolarHBondContact O-N 3.04Å |
| 109 | Q | 92.6 | Very high | 89.7 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 176.5 | -65.5 | -176.7 | -35.4 | 0 | 0 | 111.8 | Y99 L106 L111 E112 D113 | Y99-Q109 HydrophobicContact CD1-CB 4.26Å; Y99-Q109 HydrophobicContact CD2-CB 3.98Å; Y99-Q109 HydrophobicContact CE1-CB 4.21Å; Y99-Q109 HydrophobicContact CE2-CB 3.91Å; Y99-Q109 HydrophobicContact CG-CB 4.16Å; L106-Q109 HydrophobicContact CB-CB 4.38Å; L106-Q109 PolarHBondContact O-N 3.07Å; Q109-L111 VanDerWaalsContact C-N 3.28Å; Q109-L111 PolarHBondContact O-N 2.72Å; Q109-E112 PolarHBondContact O-N 3.15Å; Q109-D113 PolarHBondContact O-N 3.21Å |
| 110 | A | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -35.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L100 L106 D108 C114 A134 | L100-A110 HydrophobicContact CD2-CB 4.2Å; L100-A110 HydrophobicContact CG-CB 3.91Å; L106-A110 PolarHBondContact O-N 2.7Å; D108-A110 PolarHBondContact O-N 3.45Å; A110-C114 WeakPolarHBondContact O-CB 3Å; A110-C114 PolarHBondContact O-N 2.92Å; A110-C114 PolarHBondContact O-SG 2.72Å; A110-A134 HydrophobicContact CB-CB 4.38Å |
| 111 | L | 94.4 | Very high | 89.4 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72 | -45.2 | 176 | 178.8 | 150.9 | 0 | 0 | 0 | 111.7 | Y107 D108 Q109 D113 C114 E115 L135 M138 | Y107-L111 WeakPolarHBondContact O-CB 3.45Å; Y107-L111 PolarHBondContact O-N 3.31Å; D108-L111 WeakPolarHBondContact O-CB 3.39Å; D108-L111 PolarHBondContact O-N 3.48Å; D108-L111 VanDerWaalsContact O-N 3.09Å; Q109-L111 VanDerWaalsContact C-N 3.28Å; Q109-L111 PolarHBondContact O-N 2.72Å; L111-D113 VanDerWaalsContact C-N 3.35Å; L111-D113 PolarHBondContact O-N 2.74Å; L111-C114 PolarHBondContact O-N 3.1Å; L111-E115 HydrophobicContact CD2-CG 4.2Å; L111-E115 WeakPolarHBondContact O-CG 3.34Å; L111-E115 PolarHBondContact O-N 2.83Å; L111-L135 HydrophobicContact CD1-CD2 3.45Å; L111-L135 VanDerWaalsContact CD1-CD2 3.45Å; L111-L135 HydrophobicContact CD1-CG 3.88Å; L111-M138 HydrophobicContact CB-CE 3.92Å; L111-M138 HydrophobicContact CD1-CE 3.62Å; L111-M138 HydrophobicContact CG-CE 4.42Å |
| 112 | E | 95.1 | Very high | 89.4 | Confident | 103 Ų | 103 | 65.2 Ų | 65.2 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 176 | -74.8 | -176.5 | -153.6 | 0 | 0 | 111.7 | D108 Q109 E115 K116 | D108-E112 PolarHBondContact O-N 3.04Å; Q109-E112 PolarHBondContact O-N 3.15Å; E112-E115 PolarHBondContact O-N 3.38Å; E112-K116 WeakPolarHBondContact O-CG 3.49Å; E112-K116 PolarHBondContact O-N 2.75Å |
| 113 | D | 95 | Very high | 89.2 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 176.9 | -84.1 | -3.3 | 0 | 0 | 0 | 112.1 | Y92 R95 A96 Y99 Q109 L111 E115 K116 A117 | Y92-D113 HydrophobicContact CD1-CB 4.35Å; Y92-D113 WeakPolarHBondContact CD1-OD1 3.38Å; R95-D113 WeakPolarHBondContact CB-OD2 3.31Å; R95-D113 IonicContact CZ-OD1 2.64Å; R95-D113 IonicContact CZ-OD2 2.73Å; R95-D113 IonicContact NE-OD1 3.97Å; R95-D113 IonicContact NE-OD2 3.28Å; R95-D113 PolarHBondContact NE-OD2 3.05Å; R95-D113 IonicContact NH2-OD1 3.02Å; R95-D113 PolarHBondContact NH2-OD1 3.11Å; R95-D113 IonicContact NH2-OD2 3.51Å; R95-D113 PolarHBondContact NH2-OD2 3.41Å; A96-D113 HydrophobicContact CB-CB 3.85Å; Y99-D113 WeakPolarHBondContact CE2-OD2 3.32Å; Q109-D113 PolarHBondContact O-N 3.21Å; L111-D113 VanDerWaalsContact C-N 3.35Å; L111-D113 PolarHBondContact O-N 2.74Å; D113-E115 VanDerWaalsContact C-N 3.27Å; D113-E115 PolarHBondContact O-N 3.05Å; D113-K116 PolarHBondContact O-N 3.42Å; D113-A117 WeakPolarHBondContact O-CB 3.31Å; D113-A117 PolarHBondContact O-N 2.96Å |
| 114 | C | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -34.4 | 172.3 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | A96 A110 L111 L118 R130 K131 | A96-C114 VanDerWaalsContact CB-SG 3.57Å; A110-C114 WeakPolarHBondContact O-CB 3Å; A110-C114 PolarHBondContact O-N 2.92Å; A110-C114 PolarHBondContact O-SG 2.72Å; L111-C114 PolarHBondContact O-N 3.1Å; C114-L118 WeakPolarHBondContact O-CB 3.41Å; C114-L118 WeakPolarHBondContact O-CD1 3.35Å; C114-L118 WeakPolarHBondContact O-CG 3.32Å; C114-L118 PolarHBondContact O-N 3.46Å; C114-R130 VanDerWaalsContact SG-CB 3.52Å; C114-K131 HydrophobicContact CB-CB 3.82Å; C114-K131 HydrophobicContact CB-CG 4.33Å; C114-K131 PolarHBondContact SG-N 3.31Å |
| 115 | E | 95 | Very high | 90.8 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.8 | -39.1 | 176.3 | -74.1 | -172.5 | 171.1 | 0 | 0 | 112.1 | L111 E112 D113 L118 Q119 K131 | L111-E115 HydrophobicContact CD2-CG 4.2Å; L111-E115 WeakPolarHBondContact O-CG 3.34Å; L111-E115 PolarHBondContact O-N 2.83Å; E112-E115 PolarHBondContact O-N 3.38Å; D113-E115 VanDerWaalsContact C-N 3.27Å; D113-E115 PolarHBondContact O-N 3.05Å; E115-L118 PolarHBondContact O-N 3.3Å; E115-Q119 VanDerWaalsContact O-CG 3.26Å; E115-Q119 WeakPolarHBondContact O-CG 3.47Å; E115-Q119 PolarHBondContact O-N 2.88Å; E115-K131 HydrophobicContact CG-CD 4.33Å; E115-K131 VanDerWaalsContact CG-NZ 3.29Å; E115-K131 WeakPolarHBondContact OE1-CE 3.39Å; E115-K131 IonicContact OE1-NZ 3.56Å; E115-K131 PolarHBondContact OE1-NZ 3.3Å |
| 116 | K | 94.6 | Very high | 91.7 | Very high | 69 Ų | 69 | 56.7 Ų | 56.7 | 30% | 0.3 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 171.5 | -68.2 | 169 | -169.3 | 166.7 | 0 | 111.8 | Y92 E112 D113 L118 Q119 L120 | Y92-K116 HydrophobicContact CD1-CB 3.99Å; Y92-K116 HydrophobicContact CD1-CD 3.98Å; Y92-K116 HydrophobicContact CD2-CB 3.87Å; Y92-K116 HydrophobicContact CE1-CB 4.11Å; Y92-K116 HydrophobicContact CE1-CD 3.46Å; Y92-K116 VanDerWaalsContact CE1-CD 3.46Å; Y92-K116 HydrophobicContact CE1-CG 4.4Å; Y92-K116 HydrophobicContact CE2-CB 4Å; Y92-K116 HydrophobicContact CE2-CD 4.49Å; Y92-K116 HydrophobicContact CG-CB 3.88Å; E112-K116 WeakPolarHBondContact O-CG 3.49Å; E112-K116 PolarHBondContact O-N 2.75Å; D113-K116 PolarHBondContact O-N 3.42Å; K116-L118 VanDerWaalsContact C-N 3.3Å; K116-L118 PolarHBondContact O-N 2.9Å; K116-Q119 PolarHBondContact O-N 3.4Å; K116-L120 PolarHBondContact O-N 3.31Å |
| 117 | A | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A93 D113 L120 N121 A127 | A93-A117 HydrophobicContact CB-CB 4.35Å; D113-A117 WeakPolarHBondContact O-CB 3.31Å; D113-A117 PolarHBondContact O-N 2.96Å; A117-L120 PolarHBondContact O-N 2.91Å; A117-N121 PolarHBondContact O-N 3.49Å; A117-A127 HydrophobicContact CB-CB 3.94Å |
| 118 | L | 92.9 | Very high | 92 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -79.1 | -23.2 | 178.9 | -69.1 | 168.2 | 0 | 0 | 0 | 114 | C114 E115 K116 N121 E122 N124 A127 L128 K131 | C114-L118 WeakPolarHBondContact O-CB 3.41Å; C114-L118 WeakPolarHBondContact O-CD1 3.35Å; C114-L118 WeakPolarHBondContact O-CG 3.32Å; C114-L118 PolarHBondContact O-N 3.46Å; E115-L118 PolarHBondContact O-N 3.3Å; K116-L118 VanDerWaalsContact C-N 3.3Å; K116-L118 PolarHBondContact O-N 2.9Å; L118-N121 CarbonylContact O-C 3.6Å; L118-E122 WeakPolarHBondContact O-CA 3.46Å; L118-E122 PolarHBondContact O-N 3.26Å; L118-E122 VanDerWaalsContact O-N 3.15Å; L118-N124 HydrophobicContact CD2-CB 4.48Å; L118-A127 HydrophobicContact CD2-CB 4.04Å; L118-A127 HydrophobicContact CG-CB 4.02Å; L118-L128 HydrophobicContact CD1-CD2 3.88Å; L118-L128 HydrophobicContact CD2-CD2 3.73Å; L118-L128 HydrophobicContact CD2-CG 3.81Å; L118-L128 HydrophobicContact CG-CD2 4.5Å; L118-K131 HydrophobicContact CD1-CD 3.95Å |
| 119 | Q | 93.8 | Very high | 92.1 | Very high | 156 Ų | 156 | 46 Ų | 46 | 73% | 0.729 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -69.7 | -34.3 | 169.2 | -75.3 | 167.2 | 16.7 | 0 | 0 | 111.6 | E115 K116 | E115-Q119 VanDerWaalsContact O-CG 3.26Å; E115-Q119 WeakPolarHBondContact O-CG 3.47Å; E115-Q119 PolarHBondContact O-N 2.88Å; K116-Q119 PolarHBondContact O-N 3.4Å |
| 120 | L | 89.9 | Confident | 92.2 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 38% | 0.377 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -75.8 | -38.8 | 172.3 | -64.5 | 171.5 | 0 | 0 | 0 | 111.9 | T85 L88 E89 Y92 K116 A117 | T85-L120 HydrophobicContact CG2-CD2 4.18Å; L88-L120 HydrophobicContact CB-CD1 3.62Å; E89-L120 HydrophobicContact CB-CB 4.17Å; E89-L120 HydrophobicContact CB-CD1 4.26Å; Y92-L120 HydrophobicContact CD2-CD1 4.04Å; Y92-L120 HydrophobicContact CE2-CD1 4.3Å; K116-L120 PolarHBondContact O-N 3.31Å; A117-L120 PolarHBondContact O-N 2.91Å |
| 121 | N | 88.3 | Confident | 92.3 | Very high | 61 Ų | 61 | 44.2 Ų | 44.2 | 33% | 0.326 | 22% | 0.218 | S | C | . | . | trans | -151.4 | 96.5 | -178.1 | -177.7 | -6.9 | 0 | 0 | 0 | 112.5 | E89 A117 L118 G123 N124 | E89-N121 WeakPolarHBondContact OE2-CB 3.38Å; E89-N121 PolarHBondContact OE2-ND2 3.47Å; A117-N121 PolarHBondContact O-N 3.49Å; L118-N121 CarbonylContact O-C 3.6Å; N121-G123 PolarHBondContact O-N 3.16Å; N121-G123 WeakPolarHBondContact OD1-CA 3.34Å; N121-G123 PolarHBondContact OD1-N 2.72Å; N121-N124 HydrophobicContact CB-CB 4.41Å; N121-N124 WeakPolarHBondContact O-CB 3.24Å; N121-N124 PolarHBondContact O-N 2.95Å; N121-N124 VanDerWaalsContact O-N 3.09Å; N121-N124 PolarHBondContact OD1-N 3.06Å | ||
| 122 | E | 87.8 | Confident | 92.3 | Very high | 171 Ų | 171 | 43.5 Ų | 43.5 | 80% | 0.799 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -21.4 | 177.2 | -62.6 | -165.7 | 152 | 0 | 0 | 113.9 | L118 | L118-E122 WeakPolarHBondContact O-CA 3.46Å; L118-E122 PolarHBondContact O-N 3.26Å; L118-E122 VanDerWaalsContact O-N 3.15Å |
| 123 | G | 84.6 | Confident | 92.2 | Very high | 42 Ų | 42 | 41 Ų | 41 | 43% | 0.433 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -3.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N121 Y125 | N121-G123 PolarHBondContact O-N 3.16Å; N121-G123 WeakPolarHBondContact OD1-CA 3.34Å; N121-G123 PolarHBondContact OD1-N 2.72Å; G123-Y125 PolarHBondContact O-N 3.47Å |
| 124 | N | 88.8 | Confident | 92.1 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | trans | -68.9 | 95.3 | -177 | -171 | -39.3 | 0 | 0 | 0 | 111.5 | L118 N121 R126 A127 L128 | L118-N124 HydrophobicContact CD2-CB 4.48Å; N121-N124 HydrophobicContact CB-CB 4.41Å; N121-N124 WeakPolarHBondContact O-CB 3.24Å; N121-N124 PolarHBondContact O-N 2.95Å; N121-N124 VanDerWaalsContact O-N 3.09Å; N121-N124 PolarHBondContact OD1-N 3.06Å; N124-R126 VanDerWaalsContact C-N 3.3Å; N124-R126 PolarHBondContact O-N 3Å; N124-R126 PolarHBondContact OD1-N 3.35Å; N124-A127 HydrophobicContact CB-CB 3.98Å; N124-A127 PolarHBondContact O-N 3.27Å; N124-A127 VanDerWaalsContact O-N 3.17Å; N124-A127 PolarHBondContact OD1-N 3.49Å; N124-L128 PolarHBondContact O-N 3.14Å | ||
| 125 | Y | 89.3 | Confident | 92.1 | Very high | 54 Ų | 54 | 41 Ų | 41 | 21% | 0.212 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -29.7 | -175.3 | 69.8 | -92.1 | 0 | 0 | 0 | 113.4 | G123 L128 Y129 C151 T154 V155 V210 | G123-Y125 PolarHBondContact O-N 3.47Å; Y125-L128 PolarHBondContact O-N 3.49Å; Y125-Y129 WeakPolarHBondContact O-CB 3.38Å; Y125-Y129 PolarHBondContact O-N 2.99Å; Y125-C151 PolarHBondContact O-SG 2.88Å; Y125-T154 WeakPolarHBondContact CB-OG1 3.22Å; Y125-V155 HydrophobicContact CD1-CG2 4.21Å; Y125-V155 HydrophobicContact CD2-CG2 3.49Å; Y125-V155 VanDerWaalsContact CD2-CG2 3.49Å; Y125-V155 HydrophobicContact CE2-CG2 3.96Å; Y125-V155 HydrophobicContact CG-CG2 3.63Å; Y125-V210 HydrophobicContact CD2-CG1 3.93Å; Y125-V210 HydrophobicContact CE2-CG1 4.04Å |
| 126 | R | 90.4 | Very high | 92 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 5% | 0.045 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.5 | -45.4 | 172.4 | -78.2 | 174.3 | 165.7 | 111.5 | 6.2 | 110.5 | N124 Y129 R130 D208 E212 E214 | N124-R126 VanDerWaalsContact C-N 3.3Å; N124-R126 PolarHBondContact O-N 3Å; N124-R126 PolarHBondContact OD1-N 3.35Å; R126-Y129 PolarHBondContact O-N 2.89Å; R126-R130 WeakPolarHBondContact O-CB 3.33Å; R126-R130 WeakPolarHBondContact O-CD 3.48Å; R126-R130 WeakPolarHBondContact O-CG 3.35Å; R126-R130 PolarHBondContact O-N 2.8Å; R126-D208 IonicContact CZ-OD2 3.24Å; R126-D208 IonicContact NH1-OD2 2.71Å; R126-D208 PolarHBondContact NH1-OD2 3.09Å; R126-D208 IonicContact NH2-OD1 3.04Å; R126-D208 PolarHBondContact NH2-OD1 2.91Å; R126-D208 IonicContact NH2-OD2 3.78Å; R126-D208 PolarHBondContact NH2-OD2 3.31Å; R126-E212 PolarHBondContact NE-O 3.38Å; R126-E214 WeakPolarHBondContact CD-OE1 3.44Å; R126-E214 IonicContact CZ-OE1 2.75Å; R126-E214 IonicContact NE-OE1 2.75Å; R126-E214 IonicContact NH1-OE1 2.74Å; R126-E214 PolarHBondContact NH1-OE1 2.89Å |
| 127 | A | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A117 L118 N124 Y129 R130 K131 | A117-A127 HydrophobicContact CB-CB 3.94Å; L118-A127 HydrophobicContact CD2-CB 4.04Å; L118-A127 HydrophobicContact CG-CB 4.02Å; N124-A127 HydrophobicContact CB-CB 3.98Å; N124-A127 PolarHBondContact O-N 3.27Å; N124-A127 VanDerWaalsContact O-N 3.17Å; N124-A127 PolarHBondContact OD1-N 3.49Å; A127-Y129 PolarHBondContact O-N 2.88Å; A127-R130 PolarHBondContact O-N 3.32Å; A127-K131 VanDerWaalsContact O-CB 3.29Å; A127-K131 WeakPolarHBondContact O-CB 3.32Å; A127-K131 PolarHBondContact O-N 3.46Å |
| 128 | L | 93.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 173.5 | -70.1 | 173.3 | 0 | 0 | 0 | 112.4 | L118 N124 Y125 A132 K150 C151 | L118-L128 HydrophobicContact CD1-CD2 3.88Å; L118-L128 HydrophobicContact CD2-CD2 3.73Å; L118-L128 HydrophobicContact CD2-CG 3.81Å; L118-L128 HydrophobicContact CG-CD2 4.5Å; N124-L128 PolarHBondContact O-N 3.14Å; Y125-L128 PolarHBondContact O-N 3.49Å; L128-A132 WeakPolarHBondContact O-CB 3.38Å; L128-A132 PolarHBondContact O-N 2.71Å; L128-K150 HydrophobicContact CD1-CB 3.92Å; L128-K150 HydrophobicContact CD2-CB 4.25Å; L128-K150 HydrophobicContact CD2-CD 4.4Å; L128-C151 HydrophobicContact CB-CB 3.86Å |
| 129 | Y | 93.8 | Very high | 91.5 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.9 | -46.4 | 176.7 | 177.9 | -101.6 | 0 | 0 | 0 | 111.9 | Y125 R126 A127 K131 A132 K133 N160 V161 L164 V210 E211 | Y125-Y129 WeakPolarHBondContact O-CB 3.38Å; Y125-Y129 PolarHBondContact O-N 2.99Å; R126-Y129 PolarHBondContact O-N 2.89Å; A127-Y129 PolarHBondContact O-N 2.88Å; Y129-K131 PolarHBondContact O-N 3.48Å; Y129-A132 PolarHBondContact O-N 3.31Å; Y129-K133 HydrophobicContact CE1-CD 4.25Å; Y129-K133 PolarHBondContact O-N 3.38Å; Y129-N160 HydrophobicContact CE2-CB 4.2Å; Y129-V161 HydrophobicContact CD2-CG2 3.93Å; Y129-V161 HydrophobicContact CE2-CG2 4.44Å; Y129-L164 HydrophobicContact CD2-CD2 3.8Å; Y129-L164 HydrophobicContact CE2-CB 4.22Å; Y129-L164 HydrophobicContact CE2-CD2 3.49Å; Y129-L164 VanDerWaalsContact CE2-CD2 3.49Å; Y129-V210 HydrophobicContact CD1-CB 3.9Å; Y129-V210 HydrophobicContact CD1-CG2 3.63Å; Y129-V210 HydrophobicContact CD2-CB 4.38Å; Y129-V210 HydrophobicContact CD2-CG2 3.78Å; Y129-V210 HydrophobicContact CE1-CB 4.43Å; Y129-V210 HydrophobicContact CE1-CG2 3.71Å; Y129-V210 HydrophobicContact CE2-CG2 3.84Å; Y129-V210 HydrophobicContact CG-CB 3.88Å; Y129-V210 HydrophobicContact CG-CG2 3.68Å; Y129-E211 HydrophobicContact CE1-CG 3.86Å; Y129-E211 VanDerWaalsContact CE1-OE1 3.3Å; Y129-E211 WeakPolarHBondContact CE1-OE1 3.45Å; Y129-E211 PolarHBondContact OH-OE1 3.04Å |
| 130 | R | 93.9 | Very high | 91.5 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 178 | -70.9 | 164.5 | -164.2 | 176.4 | 6.5 | 111.2 | A93 N94 L100 C114 R126 A127 A132 K133 A134 E212 | A93-R130 VanDerWaalsContact C-NH1 3.33Å; A93-R130 WeakPolarHBondContact O-CD 3.33Å; A93-R130 PolarHBondContact O-NH1 3.17Å; N94-R130 PolarHBondContact OD1-NH1 2.94Å; L100-R130 HydrophobicContact CD1-CB 3.66Å; L100-R130 HydrophobicContact CD1-CG 3.9Å; C114-R130 VanDerWaalsContact SG-CB 3.52Å; R126-R130 WeakPolarHBondContact O-CB 3.33Å; R126-R130 WeakPolarHBondContact O-CD 3.48Å; R126-R130 WeakPolarHBondContact O-CG 3.35Å; R126-R130 PolarHBondContact O-N 2.8Å; A127-R130 PolarHBondContact O-N 3.32Å; R130-A132 PolarHBondContact O-N 2.91Å; R130-K133 PolarHBondContact O-N 2.77Å; R130-A134 PolarHBondContact O-N 3.01Å; R130-E212 PolarHBondContact NH2-O 2.79Å |
| 131 | K | 95.1 | Very high | 91.7 | Very high | 38 Ų | 38 | 41.1 Ų | 41.1 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -45.2 | 172.2 | -168.9 | 173.1 | -175.4 | 176.9 | 0 | 112.2 | C114 E115 L118 A127 Y129 K133 A134 L135 | C114-K131 HydrophobicContact CB-CB 3.82Å; C114-K131 HydrophobicContact CB-CG 4.33Å; C114-K131 PolarHBondContact SG-N 3.31Å; E115-K131 HydrophobicContact CG-CD 4.33Å; E115-K131 VanDerWaalsContact CG-NZ 3.29Å; E115-K131 WeakPolarHBondContact OE1-CE 3.39Å; E115-K131 IonicContact OE1-NZ 3.56Å; E115-K131 PolarHBondContact OE1-NZ 3.3Å; L118-K131 HydrophobicContact CD1-CD 3.95Å; A127-K131 VanDerWaalsContact O-CB 3.29Å; A127-K131 WeakPolarHBondContact O-CB 3.32Å; A127-K131 PolarHBondContact O-N 3.46Å; Y129-K131 PolarHBondContact O-N 3.48Å; K131-K133 VanDerWaalsContact C-N 3.33Å; K131-K133 PolarHBondContact O-N 2.95Å; K131-A134 PolarHBondContact O-N 3.14Å; K131-L135 HydrophobicContact CD-CD1 4.45Å; K131-L135 HydrophobicContact CG-CD1 3.85Å; K131-L135 HydrophobicContact CG-CG 4.4Å; K131-L135 WeakPolarHBondContact O-CB 3.38Å; K131-L135 WeakPolarHBondContact O-CG 3.48Å; K131-L135 PolarHBondContact O-N 3.3Å |
| 132 | A | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L128 Y129 R130 K136 A144 A147 V148 L164 | L128-A132 WeakPolarHBondContact O-CB 3.38Å; L128-A132 PolarHBondContact O-N 2.71Å; Y129-A132 PolarHBondContact O-N 3.31Å; R130-A132 PolarHBondContact O-N 2.91Å; A132-K136 WeakPolarHBondContact O-CB 3.41Å; A132-K136 PolarHBondContact O-N 3.32Å; A132-A144 WeakPolarHBondContact CB-O 3.27Å; A132-A147 HydrophobicContact CB-CB 3.89Å; A132-V148 HydrophobicContact CB-CB 3.78Å; A132-V148 HydrophobicContact CB-CG2 4.47Å; A132-L164 HydrophobicContact CB-CD2 3.86Å |
| 133 | K | 93.5 | Very high | 92.1 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 22% | 0.222 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -47.3 | 174.6 | -163.9 | 171.2 | -178.4 | 176.8 | 0 | 110.9 | L100 Y129 R130 K131 K136 E137 E211 | L100-K133 HydrophobicContact CD1-CB 4.45Å; L100-K133 HydrophobicContact CD2-CG 4.44Å; Y129-K133 HydrophobicContact CE1-CD 4.25Å; Y129-K133 PolarHBondContact O-N 3.38Å; R130-K133 PolarHBondContact O-N 2.77Å; K131-K133 VanDerWaalsContact C-N 3.33Å; K131-K133 PolarHBondContact O-N 2.95Å; K133-K136 WeakPolarHBondContact O-CB 3.41Å; K133-K136 PolarHBondContact O-N 3.15Å; K133-E137 PolarHBondContact O-N 3.48Å; K133-E211 IonicContact NZ-OE1 2.73Å; K133-E211 PolarHBondContact NZ-OE1 2.68Å; K133-E211 IonicContact NZ-OE2 2.71Å |
| 134 | A | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -51.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L100 A110 R130 K131 K136 E137 M138 | L100-A134 HydrophobicContact CD2-CB 4.1Å; A110-A134 HydrophobicContact CB-CB 4.38Å; R130-A134 PolarHBondContact O-N 3.01Å; K131-A134 PolarHBondContact O-N 3.14Å; A134-K136 VanDerWaalsContact C-N 3.27Å; A134-K136 PolarHBondContact O-N 3.33Å; A134-E137 PolarHBondContact O-N 3.14Å; A134-M138 HydrophobicContact CB-CE 3.94Å; A134-M138 WeakPolarHBondContact O-CE 3.35Å; A134-M138 WeakPolarHBondContact O-CG 3.47Å; A134-M138 PolarHBondContact O-N 2.84Å |
| 135 | L | 93.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -31.9 | 178.3 | -73.2 | 166.9 | 0 | 0 | 0 | 112.9 | L111 K131 M138 G139 R140 E143 A144 A147 | L111-L135 HydrophobicContact CD1-CD2 3.45Å; L111-L135 VanDerWaalsContact CD1-CD2 3.45Å; L111-L135 HydrophobicContact CD1-CG 3.88Å; K131-L135 HydrophobicContact CD-CD1 4.45Å; K131-L135 HydrophobicContact CG-CD1 3.85Å; K131-L135 HydrophobicContact CG-CG 4.4Å; K131-L135 WeakPolarHBondContact O-CB 3.38Å; K131-L135 WeakPolarHBondContact O-CG 3.48Å; K131-L135 PolarHBondContact O-N 3.3Å; L135-M138 HydrophobicContact CD2-CE 4.49Å; L135-G139 PolarHBondContact O-N 3.43Å; L135-R140 HydrophobicContact CB-CB 4.32Å; L135-R140 HydrophobicContact CD2-CB 3.7Å; L135-R140 HydrophobicContact CD2-CG 4.38Å; L135-R140 CarbonylContact O-C 3.42Å; L135-R140 WeakPolarHBondContact O-CA 3.18Å; L135-R140 PolarHBondContact O-N 2.73Å; L135-E143 HydrophobicContact CD1-CB 3.84Å; L135-E143 HydrophobicContact CD2-CB 4.22Å; L135-A144 HydrophobicContact CB-CB 3.6Å; L135-A147 HydrophobicContact CD1-CB 4.47Å |
| 136 | K | 93.6 | Very high | 92.9 | Very high | 54 Ų | 54 | 41.8 Ų | 41.8 | 24% | 0.235 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.4 | -50.4 | 174.9 | 174.5 | 176.8 | 162.2 | -77.8 | 0 | 111.6 | A132 K133 A134 M138 G139 H141 A144 L164 L168 | A132-K136 WeakPolarHBondContact O-CB 3.41Å; A132-K136 PolarHBondContact O-N 3.32Å; K133-K136 WeakPolarHBondContact O-CB 3.41Å; K133-K136 PolarHBondContact O-N 3.15Å; A134-K136 VanDerWaalsContact C-N 3.27Å; A134-K136 PolarHBondContact O-N 3.33Å; K136-M138 VanDerWaalsContact C-N 3.3Å; K136-M138 PolarHBondContact O-N 3.16Å; K136-G139 PolarHBondContact O-N 3.15Å; K136-G139 VanDerWaalsContact O-N 3.11Å; K136-H141 PolarHBondContact O-CE1 2.93Å; K136-H141 VanDerWaalsContact O-CE1 3.3Å; K136-A144 HydrophobicContact CB-CB 4.42Å; K136-L164 HydrophobicContact CB-CD1 4.44Å; K136-L164 HydrophobicContact CD-CD1 3.39Å; K136-L168 HydrophobicContact CB-CD2 4.06Å; K136-L168 HydrophobicContact CD-CD2 4.31Å; K136-L168 HydrophobicContact CD-CG 4.45Å; K136-L168 HydrophobicContact CG-CD2 4.03Å |
| 137 | E | 90.8 | Very high | 92.9 | Very high | 91 Ų | 91 | 41.7 Ų | 41.7 | 43% | 0.425 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70 | -28.8 | -178.8 | -53.4 | -40.7 | 126.3 | 0 | 0 | 111.9 | Y107 K133 A134 G139 | Y107-E137 HydrophobicContact CD1-CB 4.04Å; Y107-E137 HydrophobicContact CD1-CG 4.36Å; Y107-E137 HydrophobicContact CD2-CB 4.22Å; Y107-E137 HydrophobicContact CE1-CB 3.76Å; Y107-E137 HydrophobicContact CE1-CG 3.77Å; Y107-E137 HydrophobicContact CE2-CB 3.94Å; Y107-E137 HydrophobicContact CG-CB 4.27Å; K133-E137 PolarHBondContact O-N 3.48Å; A134-E137 PolarHBondContact O-N 3.14Å; E137-G139 PolarHBondContact O-N 2.97Å |
| 138 | M | 90.9 | Very high | 92.9 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 3 | 170.1 | -69.9 | -173.1 | -80.1 | 0 | 0 | 114.8 | Y107 L111 A134 L135 K136 R140 | Y107-M138 HydrophobicContact CG-CG 4.37Å; Y107-M138 WeakPolarHBondContact O-CE 3.39Å; L111-M138 HydrophobicContact CB-CE 3.92Å; L111-M138 HydrophobicContact CD1-CE 3.62Å; L111-M138 HydrophobicContact CG-CE 4.42Å; A134-M138 HydrophobicContact CB-CE 3.94Å; A134-M138 WeakPolarHBondContact O-CE 3.35Å; A134-M138 WeakPolarHBondContact O-CG 3.47Å; A134-M138 PolarHBondContact O-N 2.84Å; L135-M138 HydrophobicContact CD2-CE 4.49Å; K136-M138 VanDerWaalsContact C-N 3.3Å; K136-M138 PolarHBondContact O-N 3.16Å; M138-R140 PolarHBondContact O-N 3.3Å |
| 139 | G | 89.8 | Confident | 92.7 | Very high | 41 Ų | 41 | 42.8 Ų | 42.8 | 42% | 0.423 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 0.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L135 K136 E137 H141 | L135-G139 PolarHBondContact O-N 3.43Å; K136-G139 PolarHBondContact O-N 3.15Å; K136-G139 VanDerWaalsContact O-N 3.11Å; E137-G139 PolarHBondContact O-N 2.97Å; G139-H141 PolarHBondContact O-CD2 2.82Å; G139-H141 VanDerWaalsContact O-CD2 3.25Å; G139-H141 PolarHBondContact O-N 3.04Å |
| 140 | R | 94 | Very high | 92.5 | Very high | 100 Ų | 100 | 48.5 Ų | 48.5 | 38% | 0.377 | 24% | 0.235 | S | C | . | . | trans | -80.3 | 54.6 | 179.4 | -70.2 | 169.3 | 66.9 | -178.3 | -1.2 | 111.1 | L135 M138 Q142 E143 A144 | L135-R140 HydrophobicContact CB-CB 4.32Å; L135-R140 HydrophobicContact CD2-CB 3.7Å; L135-R140 HydrophobicContact CD2-CG 4.38Å; L135-R140 CarbonylContact O-C 3.42Å; L135-R140 WeakPolarHBondContact O-CA 3.18Å; L135-R140 PolarHBondContact O-N 2.73Å; M138-R140 PolarHBondContact O-N 3.3Å; R140-Q142 VanDerWaalsContact C-N 3.32Å; R140-Q142 PolarHBondContact O-N 3.47Å; R140-E143 IonicContact CZ-OE1 2.65Å; R140-E143 IonicContact CZ-OE2 3.71Å; R140-E143 IonicContact NE-OE1 3.69Å; R140-E143 PolarHBondContact NE-OE1 3.37Å; R140-E143 IonicContact NE-OE2 3.04Å; R140-E143 VanDerWaalsContact NH2-CD 3.35Å; R140-E143 IonicContact NH2-OE1 2.85Å; R140-E143 PolarHBondContact NH2-OE1 3.27Å; R140-E143 IonicContact NH2-OE2 3.19Å; R140-E143 PolarHBondContact NH2-OE2 3.49Å; R140-E143 PolarHBondContact O-N 3.09Å; R140-A144 PolarHBondContact O-N 2.93Å | ||
| 141 | H | 93.4 | Very high | 92.2 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 26% | 0.259 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.8 | -31 | -165.6 | -57.3 | -52.1 | 0 | 0 | 0 | 114.9 | K136 G139 Y145 L168 I171 L172 | K136-H141 PolarHBondContact O-CE1 2.93Å; K136-H141 VanDerWaalsContact O-CE1 3.3Å; G139-H141 PolarHBondContact O-CD2 2.82Å; G139-H141 VanDerWaalsContact O-CD2 3.25Å; G139-H141 PolarHBondContact O-N 3.04Å; H141-Y145 WeakPolarHBondContact O-CB 3.41Å; H141-Y145 PolarHBondContact O-N 3.44Å; H141-L168 HydrophobicContact CB-CD2 4.09Å; H141-I171 HydrophobicContact CB-CG2 4.16Å; H141-I171 WeakPolarHBondContact CD2-CG2 3.43Å; H141-L172 HydrophobicContact CB-CD2 3.98Å; H141-L172 HydrophobicContact CB-CG 4.34Å |
| 142 | Q | 91.2 | Very high | 91.8 | Very high | 97 Ų | 97 | 48 Ų | 48 | 45% | 0.453 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.6 | -50.5 | 177.1 | 178.3 | 59.2 | 34.3 | 0 | 0 | 111.3 | R140 A144 Y145 E146 L172 | R140-Q142 VanDerWaalsContact C-N 3.32Å; R140-Q142 PolarHBondContact O-N 3.47Å; Q142-A144 VanDerWaalsContact C-N 3.31Å; Q142-A144 PolarHBondContact O-N 3.17Å; Q142-Y145 WeakPolarHBondContact O-CB 3.46Å; Q142-Y145 PolarHBondContact O-N 3.27Å; Q142-Y145 VanDerWaalsContact O-N 3.12Å; Q142-E146 PolarHBondContact NE2-OE1 3.26Å; Q142-E146 PolarHBondContact O-N 2.87Å; Q142-L172 HydrophobicContact CB-CD2 4.42Å |
| 143 | E | 92.8 | Very high | 91.3 | Very high | 82 Ų | 82 | 54.3 Ų | 54.3 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 177.5 | -60 | 174.4 | -100.8 | 0 | 0 | 111.3 | L135 R140 Y145 E146 A147 | L135-E143 HydrophobicContact CD1-CB 3.84Å; L135-E143 HydrophobicContact CD2-CB 4.22Å; R140-E143 IonicContact CZ-OE1 2.65Å; R140-E143 IonicContact CZ-OE2 3.71Å; R140-E143 IonicContact NE-OE1 3.69Å; R140-E143 PolarHBondContact NE-OE1 3.37Å; R140-E143 IonicContact NE-OE2 3.04Å; R140-E143 VanDerWaalsContact NH2-CD 3.35Å; R140-E143 IonicContact NH2-OE1 2.85Å; R140-E143 PolarHBondContact NH2-OE1 3.27Å; R140-E143 IonicContact NH2-OE2 3.19Å; R140-E143 PolarHBondContact NH2-OE2 3.49Å; R140-E143 PolarHBondContact O-N 3.09Å; E143-Y145 VanDerWaalsContact C-N 3.29Å; E143-Y145 PolarHBondContact O-N 3.01Å; E143-E146 PolarHBondContact O-N 2.91Å; E143-A147 WeakPolarHBondContact O-CB 3.23Å; E143-A147 PolarHBondContact O-N 2.85Å |
| 144 | A | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A132 L135 K136 R140 Q142 A147 V148 L168 | A132-A144 WeakPolarHBondContact CB-O 3.27Å; L135-A144 HydrophobicContact CB-CB 3.6Å; K136-A144 HydrophobicContact CB-CB 4.42Å; R140-A144 PolarHBondContact O-N 2.93Å; Q142-A144 VanDerWaalsContact C-N 3.31Å; Q142-A144 PolarHBondContact O-N 3.17Å; A144-A147 PolarHBondContact O-N 3.47Å; A144-V148 PolarHBondContact O-N 3.17Å; A144-L168 HydrophobicContact CB-CD1 3.65Å; A144-L168 HydrophobicContact CB-CD2 3.71Å; A144-L168 HydrophobicContact CB-CG 4.34Å |
| 145 | Y | 93.6 | Very high | 90.3 | Very high | 67 Ų | 67 | 57.1 Ų | 57.1 | 26% | 0.263 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 178.1 | -174.9 | -107.4 | 0 | 0 | 0 | 112 | H141 Q142 E143 V148 A149 T165 L168 A169 L172 L174 | H141-Y145 WeakPolarHBondContact O-CB 3.41Å; H141-Y145 PolarHBondContact O-N 3.44Å; Q142-Y145 WeakPolarHBondContact O-CB 3.46Å; Q142-Y145 PolarHBondContact O-N 3.27Å; Q142-Y145 VanDerWaalsContact O-N 3.12Å; E143-Y145 VanDerWaalsContact C-N 3.29Å; E143-Y145 PolarHBondContact O-N 3.01Å; Y145-V148 HydrophobicContact CD2-CG1 4.47Å; Y145-A149 WeakPolarHBondContact O-CB 3.29Å; Y145-A149 PolarHBondContact O-N 2.91Å; Y145-T165 HydrophobicContact CE2-CG2 3.92Å; Y145-L168 HydrophobicContact CD2-CB 4.05Å; Y145-A169 HydrophobicContact CD2-CB 4.48Å; Y145-A169 HydrophobicContact CE2-CB 3.91Å; Y145-L172 HydrophobicContact CD1-CD1 4.26Å; Y145-L172 HydrophobicContact CD2-CD1 4.47Å; Y145-L172 HydrophobicContact CG-CD1 3.84Å; Y145-L174 HydrophobicContact CD1-CD1 4.08Å; Y145-L174 HydrophobicContact CE1-CD1 3.68Å; Y145-L174 HydrophobicContact CE2-CD1 4.29Å |
| 146 | E | 91.9 | Very high | 89.3 | Confident | 105 Ų | 105 | 60.4 Ų | 60.4 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 175.1 | -70.1 | 173.2 | -148.8 | 0 | 0 | 112.2 | Q142 E143 A149 K150 | Q142-E146 PolarHBondContact NE2-OE1 3.26Å; Q142-E146 PolarHBondContact O-N 2.87Å; E143-E146 PolarHBondContact O-N 2.91Å; E146-A149 PolarHBondContact O-N 3.35Å; E146-K150 WeakPolarHBondContact O-CG 3.3Å; E146-K150 PolarHBondContact O-N 3.35Å; E146-K150 VanDerWaalsContact O-N 3.08Å |
| 147 | A | 91.1 | Very high | 88.4 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A132 L135 E143 A144 K150 C151 | A132-A147 HydrophobicContact CB-CB 3.89Å; L135-A147 HydrophobicContact CD1-CB 4.47Å; E143-A147 WeakPolarHBondContact O-CB 3.23Å; E143-A147 PolarHBondContact O-N 2.85Å; A144-A147 PolarHBondContact O-N 3.47Å; A147-K150 PolarHBondContact O-N 3.14Å; A147-C151 PolarHBondContact O-N 3.42Å |
| 148 | V | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.4 | -29.8 | 177.3 | 80 | 0 | 0 | 0 | 0 | 112.2 | A132 A144 Y145 C151 S152 V161 L164 T165 L168 | A132-V148 HydrophobicContact CB-CB 3.78Å; A132-V148 HydrophobicContact CB-CG2 4.47Å; A144-V148 PolarHBondContact O-N 3.17Å; Y145-V148 HydrophobicContact CD2-CG1 4.47Å; V148-C151 CarbonylContact O-C 3.59Å; V148-C151 WeakPolarHBondContact O-CB 3.35Å; V148-C151 PolarHBondContact O-N 2.99Å; V148-S152 WeakPolarHBondContact O-CB 3.47Å; V148-S152 PolarHBondContact O-N 2.72Å; V148-V161 HydrophobicContact CG2-CG1 3.95Å; V148-L164 HydrophobicContact CB-CD2 4.37Å; V148-L164 HydrophobicContact CB-CG 4.42Å; V148-L164 HydrophobicContact CG2-CB 4.17Å; V148-L164 HydrophobicContact CG2-CD2 3.87Å; V148-L164 HydrophobicContact CG2-CG 3.94Å; V148-T165 HydrophobicContact CG1-CG2 4.35Å; V148-T165 WeakPolarHBondContact CG1-OG1 3.19Å; V148-T165 WeakPolarHBondContact CG2-OG1 3.13Å; V148-L168 HydrophobicContact CG1-CD1 3.97Å |
| 149 | A | 89.3 | Confident | 87.8 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y145 E146 S152 L153 | Y145-A149 WeakPolarHBondContact O-CB 3.29Å; Y145-A149 PolarHBondContact O-N 2.91Å; E146-A149 PolarHBondContact O-N 3.35Å; A149-S152 PolarHBondContact O-N 3.26Å; A149-L153 WeakPolarHBondContact O-CG 3.4Å; A149-L153 PolarHBondContact O-N 2.77Å |
| 150 | K | 89.4 | Confident | 87.7 | Confident | 134 Ų | 134 | 64.7 Ų | 64.7 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.7 | -47.3 | 170.9 | -70.6 | 179.7 | 179.7 | -173.4 | 0 | 111.3 | L128 E146 A147 S152 L153 T154 | L128-K150 HydrophobicContact CD1-CB 3.92Å; L128-K150 HydrophobicContact CD2-CB 4.25Å; L128-K150 HydrophobicContact CD2-CD 4.4Å; E146-K150 WeakPolarHBondContact O-CG 3.3Å; E146-K150 PolarHBondContact O-N 3.35Å; E146-K150 VanDerWaalsContact O-N 3.08Å; A147-K150 PolarHBondContact O-N 3.14Å; K150-S152 VanDerWaalsContact C-N 3.29Å; K150-S152 PolarHBondContact O-N 3.43Å; K150-L153 WeakPolarHBondContact O-CB 3.14Å; K150-L153 PolarHBondContact O-N 2.94Å; K150-L153 VanDerWaalsContact O-N 3.14Å; K150-T154 PolarHBondContact O-N 3.45Å |
| 151 | C | 88.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.7 | -37.9 | 176 | -172.4 | 0 | 0 | 0 | 0 | 112.9 | Y125 L128 A147 V148 L153 T154 V155 V161 | Y125-C151 PolarHBondContact O-SG 2.88Å; L128-C151 HydrophobicContact CB-CB 3.86Å; A147-C151 PolarHBondContact O-N 3.42Å; V148-C151 CarbonylContact O-C 3.59Å; V148-C151 WeakPolarHBondContact O-CB 3.35Å; V148-C151 PolarHBondContact O-N 2.99Å; C151-L153 VanDerWaalsContact C-N 3.31Å; C151-L153 PolarHBondContact O-N 3.47Å; C151-T154 WeakPolarHBondContact CA-OG1 3.4Å; C151-T154 PolarHBondContact O-N 3.13Å; C151-T154 VanDerWaalsContact O-N 3.16Å; C151-T154 PolarHBondContact O-OG1 3.24Å; C151-V155 PolarHBondContact O-N 3.3Å; C151-V161 HydrophobicContact CB-CG1 4.37Å |
| 152 | S | 86.3 | Confident | 87.2 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.9 | -24.8 | 178.6 | -172.9 | 0 | 0 | 0 | 0 | 113.2 | V148 A149 K150 P156 | V148-S152 WeakPolarHBondContact O-CB 3.47Å; V148-S152 PolarHBondContact O-N 2.72Å; A149-S152 PolarHBondContact O-N 3.26Å; K150-S152 VanDerWaalsContact C-N 3.29Å; K150-S152 PolarHBondContact O-N 3.43Å; S152-P156 VanDerWaalsContact O-CA 3.32Å; S152-P156 WeakPolarHBondContact O-CA 3.29Å; S152-P156 WeakPolarHBondContact O-CB 3.29Å |
| 153 | L | 84.6 | Confident | 87.1 | Confident | 134 Ų | 134 | 59.2 Ų | 59.2 | 70% | 0.702 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -70.9 | -31.3 | 170.8 | -65.4 | 173.2 | 0 | 0 | 0 | 112.2 | A149 K150 C151 | A149-L153 WeakPolarHBondContact O-CG 3.4Å; A149-L153 PolarHBondContact O-N 2.77Å; K150-L153 WeakPolarHBondContact O-CB 3.14Å; K150-L153 PolarHBondContact O-N 2.94Å; K150-L153 VanDerWaalsContact O-N 3.14Å; C151-L153 VanDerWaalsContact C-N 3.31Å; C151-L153 PolarHBondContact O-N 3.47Å |
| 154 | T | 81.4 | Confident | 87 | Confident | 72 Ų | 72 | 56 Ų | 56 | 44% | 0.442 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -83.4 | -43.2 | 175.8 | 41.7 | 0 | 0 | 0 | 0 | 113.1 | Y125 K150 C151 | Y125-T154 WeakPolarHBondContact CB-OG1 3.22Å; K150-T154 PolarHBondContact O-N 3.45Å; C151-T154 WeakPolarHBondContact CA-OG1 3.4Å; C151-T154 PolarHBondContact O-N 3.13Å; C151-T154 VanDerWaalsContact O-N 3.16Å; C151-T154 PolarHBondContact O-OG1 3.24Å |
| 155 | V | 83.9 | Confident | 86.9 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | trans | -130.9 | 74.4 | -176 | -167.6 | 0 | 0 | 0 | 0 | 110.7 | Y125 C151 Q157 D158 | Y125-V155 HydrophobicContact CD1-CG2 4.21Å; Y125-V155 HydrophobicContact CD2-CG2 3.49Å; Y125-V155 VanDerWaalsContact CD2-CG2 3.49Å; Y125-V155 HydrophobicContact CE2-CG2 3.96Å; Y125-V155 HydrophobicContact CG-CG2 3.63Å; C151-V155 PolarHBondContact O-N 3.3Å; V155-Q157 VanDerWaalsContact C-N 3.26Å; V155-Q157 PolarHBondContact O-N 3.11Å; V155-D158 HydrophobicContact CG1-CB 3.74Å | ||
| 156 | P | 72.8 | Confident | 86.7 | Confident | 71 Ų | 71 | 57.8 Ų | 57.8 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -8.8 | -175.6 | 27.6 | -35.2 | 0 | 0 | 0 | 115.1 | S152 | S152-P156 VanDerWaalsContact O-CA 3.32Å; S152-P156 WeakPolarHBondContact O-CA 3.29Å; S152-P156 WeakPolarHBondContact O-CB 3.29Å |
| 157 | Q | 75.1 | Confident | 86.6 | Confident | 174 Ų | 174 | 55 Ų | 55 | 81% | 0.813 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -7.9 | -174.6 | -58.5 | -63.9 | -19.3 | 0 | 0 | 113.8 | V155 | V155-Q157 VanDerWaalsContact C-N 3.26Å; V155-Q157 PolarHBondContact O-N 3.11Å |
| 158 | D | 83.8 | Confident | 86.7 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 8% | 0.075 | 30% | 0.296 | C | S | . | . | trans | -74.1 | 131.5 | -177.5 | 178.7 | -73.8 | 0 | 0 | 0 | 111.1 | V155 N160 V161 T162 V210 | V155-D158 HydrophobicContact CG1-CB 3.74Å; D158-N160 VanDerWaalsContact C-N 3.32Å; D158-N160 PolarHBondContact O-N 2.83Å; D158-N160 VanDerWaalsContact OD1-CA 3.27Å; D158-N160 WeakPolarHBondContact OD1-CA 3.37Å; D158-N160 VanDerWaalsContact OD1-CB 3.23Å; D158-N160 WeakPolarHBondContact OD1-CB 3.36Å; D158-N160 PolarHBondContact OD1-N 3.03Å; D158-N160 PolarHBondContact OD1-ND2 2.89Å; D158-V161 HydrophobicContact CB-CB 4.15Å; D158-V161 HydrophobicContact CB-CG2 3.8Å; D158-V161 PolarHBondContact OD1-N 3.46Å; D158-T162 WeakPolarHBondContact O-CB 3.3Å; D158-T162 WeakPolarHBondContact O-CG2 3.46Å; D158-T162 PolarHBondContact O-N 2.72Å; D158-T162 VanDerWaalsContact O-N 3.1Å; D158-T162 PolarHBondContact O-OG1 2.79Å; D158-V210 HydrophobicContact CB-CG1 4.24Å; D158-V210 WeakPolarHBondContact OD1-CG2 3.37Å; D158-V210 PolarHBondContact OD2-N 3.43Å | ||
| 159 | P | 85.4 | Confident | 86.5 | Confident | 86 Ų | 86 | 54.7 Ų | 54.7 | 56% | 0.558 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68.7 | -29.6 | -176.8 | 28.4 | -34.9 | 0 | 0 | 0 | 112.9 | T162 Q163 | P159-T162 WeakPolarHBondContact CA-OG1 3.4Å; P159-T162 PolarHBondContact O-OG1 3.37Å; P159-Q163 WeakPolarHBondContact O-CB 3.39Å; P159-Q163 PolarHBondContact O-N 3.12Å |
| 160 | N | 86.6 | Confident | 86.6 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -78.9 | -42.3 | -178.2 | -47.2 | -57.7 | 0 | 0 | 0 | 110.6 | Y129 D158 T162 Q163 L164 V210 E211 | Y129-N160 HydrophobicContact CE2-CB 4.2Å; D158-N160 VanDerWaalsContact C-N 3.32Å; D158-N160 PolarHBondContact O-N 2.83Å; D158-N160 VanDerWaalsContact OD1-CA 3.27Å; D158-N160 WeakPolarHBondContact OD1-CA 3.37Å; D158-N160 VanDerWaalsContact OD1-CB 3.23Å; D158-N160 WeakPolarHBondContact OD1-CB 3.36Å; D158-N160 PolarHBondContact OD1-N 3.03Å; D158-N160 PolarHBondContact OD1-ND2 2.89Å; N160-T162 PolarHBondContact O-N 2.66Å; N160-Q163 PolarHBondContact O-N 2.93Å; N160-L164 WeakPolarHBondContact O-CB 3.49Å; N160-L164 PolarHBondContact O-N 3.45Å; N160-V210 HydrophobicContact CB-CG2 3.97Å; N160-E211 HydrophobicContact CB-CG 4.37Å |
| 161 | V | 88.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 171.1 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | Y129 V148 C151 D158 T165 V210 | Y129-V161 HydrophobicContact CD2-CG2 3.93Å; Y129-V161 HydrophobicContact CE2-CG2 4.44Å; V148-V161 HydrophobicContact CG2-CG1 3.95Å; C151-V161 HydrophobicContact CB-CG1 4.37Å; D158-V161 HydrophobicContact CB-CB 4.15Å; D158-V161 HydrophobicContact CB-CG2 3.8Å; D158-V161 PolarHBondContact OD1-N 3.46Å; V161-T165 WeakPolarHBondContact O-CB 3.49Å; V161-T165 PolarHBondContact O-N 2.93Å; V161-T165 PolarHBondContact O-OG1 3.35Å; V161-V210 HydrophobicContact CG2-CB 4.26Å; V161-V210 HydrophobicContact CG2-CG1 3.62Å; V161-V210 HydrophobicContact CG2-CG2 3.87Å |
| 162 | T | 88.4 | Confident | 86.7 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.6 | -30.5 | -178.2 | 53.5 | 0 | 0 | 0 | 0 | 113.3 | D158 P159 N160 Q166 | D158-T162 WeakPolarHBondContact O-CB 3.3Å; D158-T162 WeakPolarHBondContact O-CG2 3.46Å; D158-T162 PolarHBondContact O-N 2.72Å; D158-T162 VanDerWaalsContact O-N 3.1Å; D158-T162 PolarHBondContact O-OG1 2.79Å; P159-T162 WeakPolarHBondContact CA-OG1 3.4Å; P159-T162 PolarHBondContact O-OG1 3.37Å; N160-T162 PolarHBondContact O-N 2.66Å; T162-Q166 VanDerWaalsContact O-CG 3.3Å; T162-Q166 WeakPolarHBondContact O-CG 3.47Å; T162-Q166 PolarHBondContact O-N 3.15Å; T162-Q166 PolarHBondContact O-NE2 3.39Å; T162-Q166 VanDerWaalsContact O-NE2 3.08Å |
| 163 | Q | 90 | Very high | 86.7 | Confident | 91 Ų | 91 | 60.2 Ų | 60.2 | 43% | 0.425 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.2 | -49.7 | 170.6 | -179.9 | 62.9 | 32.2 | 0 | 0 | 111.3 | P159 N160 T165 Q166 D167 | P159-Q163 WeakPolarHBondContact O-CB 3.39Å; P159-Q163 PolarHBondContact O-N 3.12Å; N160-Q163 PolarHBondContact O-N 2.93Å; Q163-T165 VanDerWaalsContact C-N 3.31Å; Q163-T165 PolarHBondContact O-N 3.49Å; Q163-Q166 WeakPolarHBondContact O-CB 3.47Å; Q163-Q166 PolarHBondContact O-N 2.95Å; Q163-D167 VanDerWaalsContact NE2-CG 3.29Å; Q163-D167 PolarHBondContact NE2-OD1 3.11Å; Q163-D167 PolarHBondContact NE2-OD2 3.12Å; Q163-D167 PolarHBondContact O-N 3.03Å |
| 164 | L | 90.1 | Very high | 86.7 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 178.2 | 179.4 | 58.4 | 0 | 0 | 0 | 111.6 | Y129 A132 K136 V148 N160 Q166 D167 L168 | Y129-L164 HydrophobicContact CD2-CD2 3.8Å; Y129-L164 HydrophobicContact CE2-CB 4.22Å; Y129-L164 HydrophobicContact CE2-CD2 3.49Å; Y129-L164 VanDerWaalsContact CE2-CD2 3.49Å; A132-L164 HydrophobicContact CB-CD2 3.86Å; K136-L164 HydrophobicContact CB-CD1 4.44Å; K136-L164 HydrophobicContact CD-CD1 3.39Å; V148-L164 HydrophobicContact CB-CD2 4.37Å; V148-L164 HydrophobicContact CB-CG 4.42Å; V148-L164 HydrophobicContact CG2-CB 4.17Å; V148-L164 HydrophobicContact CG2-CD2 3.87Å; V148-L164 HydrophobicContact CG2-CG 3.94Å; N160-L164 WeakPolarHBondContact O-CB 3.49Å; N160-L164 PolarHBondContact O-N 3.45Å; L164-Q166 VanDerWaalsContact C-N 3.34Å; L164-Q166 PolarHBondContact O-N 3.39Å; L164-D167 PolarHBondContact O-N 2.86Å; L164-L168 HydrophobicContact CD1-CD1 3.8Å; L164-L168 HydrophobicContact CD1-CG 4.2Å; L164-L168 HydrophobicContact CG-CD1 3.97Å; L164-L168 WeakPolarHBondContact O-CB 3.48Å; L164-L168 WeakPolarHBondContact O-CG 3.44Å; L164-L168 PolarHBondContact O-N 3.04Å |
| 165 | T | 90.9 | Very high | 86.3 | Confident | 24 Ų | 24 | 64 Ų | 64 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 174 | -55.1 | 0 | 0 | 0 | 0 | 112 | Y145 V148 V161 Q163 A169 | Y145-T165 HydrophobicContact CE2-CG2 3.92Å; V148-T165 HydrophobicContact CG1-CG2 4.35Å; V148-T165 WeakPolarHBondContact CG1-OG1 3.19Å; V148-T165 WeakPolarHBondContact CG2-OG1 3.13Å; V161-T165 WeakPolarHBondContact O-CB 3.49Å; V161-T165 PolarHBondContact O-N 2.93Å; V161-T165 PolarHBondContact O-OG1 3.35Å; Q163-T165 VanDerWaalsContact C-N 3.31Å; Q163-T165 PolarHBondContact O-N 3.49Å; T165-A169 VanDerWaalsContact O-CB 3.22Å; T165-A169 WeakPolarHBondContact O-CB 3.47Å; T165-A169 PolarHBondContact O-N 2.66Å |
| 166 | Q | 88.9 | Confident | 85.2 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 38% | 0.383 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.6 | -40.1 | 177.8 | -78.9 | 174.8 | 75.7 | 0 | 0 | 112.5 | T162 Q163 L164 A169 K170 I176 | T162-Q166 VanDerWaalsContact O-CG 3.3Å; T162-Q166 WeakPolarHBondContact O-CG 3.47Å; T162-Q166 PolarHBondContact O-N 3.15Å; T162-Q166 PolarHBondContact O-NE2 3.39Å; T162-Q166 VanDerWaalsContact O-NE2 3.08Å; Q163-Q166 WeakPolarHBondContact O-CB 3.47Å; Q163-Q166 PolarHBondContact O-N 2.95Å; L164-Q166 VanDerWaalsContact C-N 3.34Å; L164-Q166 PolarHBondContact O-N 3.39Å; Q166-A169 PolarHBondContact O-N 3.18Å; Q166-K170 VanDerWaalsContact O-CG 3.26Å; Q166-K170 WeakPolarHBondContact O-CG 3.48Å; Q166-K170 PolarHBondContact O-N 2.94Å; Q166-I176 HydrophobicContact CB-CD1 4.47Å; Q166-I176 VanDerWaalsContact O-CD1 3.29Å; Q166-I176 WeakPolarHBondContact O-CD1 3.22Å |
| 167 | D | 91.1 | Very high | 84.2 | Confident | 46 Ų | 46 | 73.4 Ų | 73.4 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.3 | -42.5 | -179.1 | -70.8 | -25.8 | 0 | 0 | 0 | 111.8 | Q163 L164 A169 K170 I171 | Q163-D167 VanDerWaalsContact NE2-CG 3.29Å; Q163-D167 PolarHBondContact NE2-OD1 3.11Å; Q163-D167 PolarHBondContact NE2-OD2 3.12Å; Q163-D167 PolarHBondContact O-N 3.03Å; L164-D167 PolarHBondContact O-N 2.86Å; D167-A169 VanDerWaalsContact C-N 3.34Å; D167-A169 PolarHBondContact O-N 2.73Å; D167-K170 WeakPolarHBondContact O-CB 3.22Å; D167-K170 PolarHBondContact O-N 3.04Å; D167-K170 IonicContact OD1-NZ 2.68Å; D167-K170 PolarHBondContact OD1-NZ 3.43Å; D167-I171 WeakPolarHBondContact O-CD1 3.33Å; D167-I171 VanDerWaalsContact O-CG1 3.29Å; D167-I171 WeakPolarHBondContact O-CG1 3.18Å; D167-I171 PolarHBondContact O-N 3.33Å |
| 168 | L | 91.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 172.5 | -72.5 | 166.6 | 0 | 0 | 0 | 111.9 | K136 H141 A144 Y145 V148 L164 K170 I171 L172 | K136-L168 HydrophobicContact CB-CD2 4.06Å; K136-L168 HydrophobicContact CD-CD2 4.31Å; K136-L168 HydrophobicContact CD-CG 4.45Å; K136-L168 HydrophobicContact CG-CD2 4.03Å; H141-L168 HydrophobicContact CB-CD2 4.09Å; A144-L168 HydrophobicContact CB-CD1 3.65Å; A144-L168 HydrophobicContact CB-CD2 3.71Å; A144-L168 HydrophobicContact CB-CG 4.34Å; Y145-L168 HydrophobicContact CD2-CB 4.05Å; V148-L168 HydrophobicContact CG1-CD1 3.97Å; L164-L168 HydrophobicContact CD1-CD1 3.8Å; L164-L168 HydrophobicContact CD1-CG 4.2Å; L164-L168 HydrophobicContact CG-CD1 3.97Å; L164-L168 WeakPolarHBondContact O-CB 3.48Å; L164-L168 WeakPolarHBondContact O-CG 3.44Å; L164-L168 PolarHBondContact O-N 3.04Å; L168-K170 VanDerWaalsContact C-N 3.33Å; L168-K170 PolarHBondContact O-N 3.26Å; L168-I171 PolarHBondContact O-N 3.06Å; L168-L172 WeakPolarHBondContact O-CB 3.3Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.13Å |
| 169 | A | 89.3 | Confident | 81 | Confident | 4 Ų | 4 | 78.3 Ų | 78.3 | 3% | 0.033 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.9 | -31 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y145 T165 Q166 D167 G173 L174 I176 | Y145-A169 HydrophobicContact CD2-CB 4.48Å; Y145-A169 HydrophobicContact CE2-CB 3.91Å; T165-A169 VanDerWaalsContact O-CB 3.22Å; T165-A169 WeakPolarHBondContact O-CB 3.47Å; T165-A169 PolarHBondContact O-N 2.66Å; Q166-A169 PolarHBondContact O-N 3.18Å; D167-A169 VanDerWaalsContact C-N 3.34Å; D167-A169 PolarHBondContact O-N 2.73Å; A169-G173 PolarHBondContact O-N 3.28Å; A169-L174 HydrophobicContact CB-CB 4.21Å; A169-L174 HydrophobicContact CB-CD1 4.39Å; A169-L174 PolarHBondContact O-N 3.43Å; A169-I176 HydrophobicContact CB-CD1 3.67Å; A169-I176 HydrophobicContact CB-CG1 3.57Å |
| 170 | K | 90.4 | Very high | 78.7 | Confident | 112 Ų | 112 | 83.4 Ų | 83.4 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.2 | -47.6 | 171 | -69.5 | 161.6 | -154 | 163.7 | 0 | 110.8 | Q166 D167 L168 L172 G173 I176 | Q166-K170 VanDerWaalsContact O-CG 3.26Å; Q166-K170 WeakPolarHBondContact O-CG 3.48Å; Q166-K170 PolarHBondContact O-N 2.94Å; D167-K170 WeakPolarHBondContact O-CB 3.22Å; D167-K170 PolarHBondContact O-N 3.04Å; D167-K170 IonicContact OD1-NZ 2.68Å; D167-K170 PolarHBondContact OD1-NZ 3.43Å; L168-K170 VanDerWaalsContact C-N 3.33Å; L168-K170 PolarHBondContact O-N 3.26Å; K170-L172 VanDerWaalsContact C-N 3.32Å; K170-L172 PolarHBondContact O-N 2.96Å; K170-G173 PolarHBondContact O-N 3.43Å; K170-I176 HydrophobicContact CG-CD1 3.8Å |
| 171 | I | 91.1 | Very high | 76.5 | Confident | 89 Ų | 89 | 86.9 Ų | 86.9 | 46% | 0.456 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | -179 | -66.2 | 162 | 0 | 0 | 0 | 110.9 | H141 D167 L168 G173 | H141-I171 HydrophobicContact CB-CG2 4.16Å; H141-I171 WeakPolarHBondContact CD2-CG2 3.43Å; D167-I171 WeakPolarHBondContact O-CD1 3.33Å; D167-I171 VanDerWaalsContact O-CG1 3.29Å; D167-I171 WeakPolarHBondContact O-CG1 3.18Å; D167-I171 PolarHBondContact O-N 3.33Å; L168-I171 PolarHBondContact O-N 3.06Å; I171-G173 PolarHBondContact O-N 2.82Å |
| 172 | L | 89.9 | Confident | 74 | Confident | 52 Ų | 52 | 96.9 Ų | 96.9 | 27% | 0.272 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 3.3 | 176.2 | -64.7 | 172.9 | 0 | 0 | 0 | 114.3 | H141 Q142 Y145 L168 K170 L174 | H141-L172 HydrophobicContact CB-CD2 3.98Å; H141-L172 HydrophobicContact CB-CG 4.34Å; Q142-L172 HydrophobicContact CB-CD2 4.42Å; Y145-L172 HydrophobicContact CD1-CD1 4.26Å; Y145-L172 HydrophobicContact CD2-CD1 4.47Å; Y145-L172 HydrophobicContact CG-CD1 3.84Å; L168-L172 WeakPolarHBondContact O-CB 3.3Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.13Å; K170-L172 VanDerWaalsContact C-N 3.32Å; K170-L172 PolarHBondContact O-N 2.96Å; L172-L174 HydrophobicContact CB-CD1 4.11Å; L172-L174 HydrophobicContact CB-CG 3.87Å; L172-L174 HydrophobicContact CD1-CD1 4.22Å; L172-L174 PolarHBondContact O-N 3.23Å |
| 173 | G | 85.8 | Confident | 71.3 | Confident | 65 Ų | 65 | 99.1 Ų | 99.1 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 15.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | A169 K170 I171 | A169-G173 PolarHBondContact O-N 3.28Å; K170-G173 PolarHBondContact O-N 3.43Å; I171-G173 PolarHBondContact O-N 2.82Å |
| 174 | L | 84.7 | Confident | 68.8 | Low | 77 Ų | 77 | 104.2 Ų | 104.2 | 40% | 0.403 | 51% | 0.512 | S | S | . | . | trans | -71.6 | 140.9 | -176.7 | -61.3 | 176.7 | 0 | 0 | 0 | 110.7 | Y145 A169 L172 I176 | Y145-L174 HydrophobicContact CD1-CD1 4.08Å; Y145-L174 HydrophobicContact CE1-CD1 3.68Å; Y145-L174 HydrophobicContact CE2-CD1 4.29Å; A169-L174 HydrophobicContact CB-CB 4.21Å; A169-L174 HydrophobicContact CB-CD1 4.39Å; A169-L174 PolarHBondContact O-N 3.43Å; L172-L174 HydrophobicContact CB-CD1 4.11Å; L172-L174 HydrophobicContact CB-CG 3.87Å; L172-L174 HydrophobicContact CD1-CD1 4.22Å; L172-L174 PolarHBondContact O-N 3.23Å; L174-I176 VanDerWaalsContact C-N 3.3Å; L174-I176 PolarHBondContact O-N 3.47Å | ||
| 175 | K | 74.6 | Confident | 66.2 | Low | 209 Ų | 209 | 109.1 Ų | 109.1 | 91% | 0.909 | 54% | 0.544 | S | S | * | . | trans | -75.9 | 78.1 | -178.7 | -71.6 | -177.7 | 178.4 | 174.9 | 0 | 111.8 | R177 | K175-R177 PolarHBondContact O-N 3.1Å; K175-R177 VanDerWaalsContact O-N 3.09Å | ||
| 176 | I | 58.9 | Low | 63.4 | Low | 71 Ų | 71 | 112.7 Ų | 112.7 | 36% | 0.364 | 58% | 0.576 | S | S | . | * | trans | -56 | 112.9 | 175 | -55.8 | 170.9 | 0 | 0 | 0 | 109.7 | Q166 A169 K170 L174 | Q166-I176 HydrophobicContact CB-CD1 4.47Å; Q166-I176 VanDerWaalsContact O-CD1 3.29Å; Q166-I176 WeakPolarHBondContact O-CD1 3.22Å; A169-I176 HydrophobicContact CB-CD1 3.67Å; A169-I176 HydrophobicContact CB-CG1 3.57Å; K170-I176 HydrophobicContact CG-CD1 3.8Å; L174-I176 VanDerWaalsContact C-N 3.3Å; L174-I176 PolarHBondContact O-N 3.47Å | ||
| 177 | R | 53.2 | Low | 60.8 | Low | 235 Ų | 235 | 116.7 Ų | 116.7 | 89% | 0.887 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 127.5 | 162.5 | -65.3 | 179.3 | 179.3 | 170.8 | 0.6 | 107.3 | K175 A179 | K175-R177 PolarHBondContact O-N 3.1Å; K175-R177 VanDerWaalsContact O-N 3.09Å; R177-A179 PolarHBondContact O-N 2.89Å |
| 178 | K | 48.2 | Very low | 58 | Low | 204 Ų | 204 | 122.1 Ų | 122.1 | 89% | 0.887 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 122.7 | 172 | -71.5 | -173.5 | 176.5 | -176.5 | 0 | 109 | ||
| 179 | A | 43.3 | Very low | 55.2 | Low | 86 Ų | 86 | 128.5 Ų | 128.5 | 71% | 0.711 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 138.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | R177 V181 | R177-A179 PolarHBondContact O-N 2.89Å; A179-V181 PolarHBondContact O-N 3.15Å |
| 180 | Y | 37.9 | Very low | 52.4 | Low | 194 Ų | 194 | 136.6 Ų | 136.6 | 76% | 0.761 | 71% | 0.709 | S | S | * | * | trans | -75.8 | 89.8 | 177.9 | 177.4 | -100 | 0 | 0 | 0 | 109.7 | R182 | Y180-R182 HydrophobicContact CE1-CB 4.18Å; Y180-R182 PolarHBondContact O-N 3.35Å | ||
| 181 | V | 39.2 | Very low | 49.5 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | trans | -75.8 | 108.9 | 170.2 | -177.5 | 0 | 0 | 0 | 0 | 108 | A179 S183 | A179-V181 PolarHBondContact O-N 3.15Å; V181-S183 PolarHBondContact O-N 3.36Å; V181-S183 VanDerWaalsContact O-N 3.15Å | ||
| 182 | R | 36.8 | Very low | 46.5 | Very low | 210 Ų | 210 | 142.1 Ų | 142.1 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 116.3 | 174.3 | -175.4 | 177.4 | -177.9 | 171 | 1.2 | 109 | Y180 K184 | Y180-R182 HydrophobicContact CE1-CB 4.18Å; Y180-R182 PolarHBondContact O-N 3.35Å; R182-K184 PolarHBondContact O-N 2.89Å |
| 183 | S | 30.4 | Very low | 43.6 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58 | 123.8 | -179 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | V181 | V181-S183 PolarHBondContact O-N 3.36Å; V181-S183 VanDerWaalsContact O-N 3.15Å |
| 184 | K | 38.7 | Very low | 40.8 | Very low | 198 Ų | 198 | 146.2 Ų | 146.2 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 131.9 | 165.2 | -73.2 | -176.8 | 176.9 | 178.5 | 0 | 108.2 | R182 A186 | R182-K184 PolarHBondContact O-N 2.89Å; K184-A186 PolarHBondContact O-N 3.15Å |
| 185 | P | 34.4 | Very low | 38 | Very low | 115 Ų | 115 | 153.9 Ų | 153.9 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 128.7 | -179.3 | 26.4 | -33.5 | 0 | 0 | 0 | 110 | L187 | P185-L187 PolarHBondContact O-N 3.36Š|
| 186 | A | 31.8 | Very low | 35.8 | Very low | 99 Ų | 99 | 151.9 Ų | 151.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 117.9 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | K184 | K184-A186 PolarHBondContact O-N 3.15Š|
| 187 | L | 34.8 | Very low | 34.1 | Very low | 167 Ų | 167 | 155 Ų | 155 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -109.6 | 109.7 | 165.7 | -72 | 177.7 | 0 | 0 | 0 | 108.7 | P185 | P185-L187 PolarHBondContact O-N 3.36Š| ||
| 188 | N | 33.5 | Very low | 32.8 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -143.7 | 161.1 | 168.8 | -116.1 | -28.6 | 0 | 0 | 0 | 107.7 | ||||
| 189 | V | 32.2 | Very low | 31.6 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | 72.3 | 69.8 | -172.5 | -163.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 190 | L | 30.5 | Very low | 30.9 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | -160 | 140.3 | 104.1 | -100.1 | 165.8 | 0 | 0 | 0 | 109.6 | |||||
| 191 | R | 30.6 | Very low | 30.2 | Very low | 252 Ų | 252 | 141 Ų | 141 | 95% | 0.951 | 78% | 0.782 | S | S | * | * | trans | -146.8 | 139 | -173.9 | -178.1 | -175 | -125.3 | -141.7 | 1.8 | 111 | ||||
| 192 | G | 27.9 | Very low | 29.8 | Very low | 66 Ų | 66 | 142.4 Ų | 142.4 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | trans | 121.2 | 141.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 193 | S | 28.5 | Very low | 29.2 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | cis | -169 | 152.9 | -8.5 | -121.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 194 | S | 26.3 | Very low | 29 | Very low | 88 Ų | 88 | 143.4 Ų | 143.4 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | cis | -176.6 | 139.4 | -24.4 | 39.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 195 | Y | 26.9 | Very low | 28.5 | Very low | 238 Ų | 238 | 145.8 Ų | 145.8 | 93% | 0.933 | 80% | 0.795 | S | S | * | * | trans | -139.9 | 147.8 | 164.5 | -96.4 | -75.9 | 0 | 0 | 0 | 111.7 | ||||
| 196 | Q | 27.3 | Very low | 28.3 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | -115.8 | 163.9 | -177 | -72.8 | 173.8 | -97.9 | 0 | 0 | 108.1 | ||||
| 197 | D | 24.2 | Very low | 28.6 | Very low | 137 Ų | 137 | 144 Ų | 144 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | cis | -159.5 | 177.9 | -8.8 | -113.5 | -48.8 | 0 | 0 | 0 | 105.2 | ||||
| 198 | A | 25.7 | Very low | 29.4 | Very low | 84 Ų | 84 | 141.1 Ų | 141.1 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | cis | -154.8 | -158.3 | 12.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 199 | S | 23.3 | Very low | 31.3 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | 11.4 | 111.5 | 156.9 | -149.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 200 | C | 28.7 | Very low | 33.4 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | 63.4 | 105 | 62 | -167.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 201 | D | 22.6 | Very low | 35.3 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | -160.1 | 156.6 | 114.2 | -155.4 | 8.4 | 0 | 0 | 0 | 112.1 | |||||
| 202 | K | 30.6 | Very low | 37.7 | Very low | 152 Ų | 152 | 115.8 Ų | 115.8 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | trans | 25.2 | 117.5 | 164.5 | -71.3 | 161.5 | -167.7 | 73.4 | 0 | 121.1 | ||||
| 203 | F | 25 | Very low | 40.1 | Very low | 206 Ų | 206 | 113 Ų | 113 | 90% | 0.904 | 62% | 0.622 | S | S | * | * | -172.2 | 85.3 | 107.6 | -102.6 | -64.4 | 0 | 0 | 0 | 111.8 | |||||
| 204 | S | 24.7 | Very low | 42.2 | Very low | 120 Ų | 120 | 108.8 Ų | 108.8 | 84% | 0.839 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 134.1 | 165.1 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 205 | R | 29.9 | Very low | 44.2 | Very low | 248 Ų | 248 | 109.3 Ų | 109.3 | 94% | 0.936 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 138.5 | 157.3 | -83.8 | -175.6 | 165.3 | -175.1 | -6.8 | 108.6 | ||
| 206 | G | 28.7 | Very low | 45.5 | Very low | 69 Ų | 69 | 105.2 Ų | 105.2 | 71% | 0.711 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 157.8 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 207 | S | 38.5 | Very low | 46.3 | Very low | 109 Ų | 109 | 101.8 Ų | 101.8 | 76% | 0.762 | 56% | 0.564 | S | S | * | * | trans | -92.8 | 106.6 | 158.3 | 170.8 | 0 | 0 | 0 | 0 | 106.3 | S209 | S207-S209 PolarHBondContact O-N 2.91Š| ||
| 208 | D | 52.5 | Low | 46.8 | Very low | 105 Ų | 105 | 99.1 Ų | 99.1 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | trans | -54.4 | 101.6 | -171 | -156.9 | 42.4 | 0 | 0 | 0 | 111.3 | R126 | R126-D208 IonicContact CZ-OD2 3.24Å; R126-D208 IonicContact NH1-OD2 2.71Å; R126-D208 PolarHBondContact NH1-OD2 3.09Å; R126-D208 IonicContact NH2-OD1 3.04Å; R126-D208 PolarHBondContact NH2-OD1 2.91Å; R126-D208 IonicContact NH2-OD2 3.78Å; R126-D208 PolarHBondContact NH2-OD2 3.31Å | ||
| 209 | S | 73.2 | Confident | 47.1 | Very low | 21 Ų | 21 | 100.9 Ų | 100.9 | 15% | 0.147 | 56% | 0.558 | C | S | . | * | trans | -93.5 | 147.7 | -166.6 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | S207 E211 E212 | S207-S209 PolarHBondContact O-N 2.91Å; S209-E211 PolarHBondContact O-N 2.96Å; S209-E211 VanDerWaalsContact O-N 3.14Å; S209-E211 PolarHBondContact OG-N 3.43Å; S209-E212 WeakPolarHBondContact CB-OE2 3.38Å; S209-E212 PolarHBondContact N-OE2 3.36Å; S209-E212 PolarHBondContact O-N 3.38Å | ||
| 210 | V | 75.2 | Confident | 47.5 | Very low | 1 Ų | 1 | 101.2 Ų | 101.2 | 1% | 0.006 | 55% | 0.546 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.3 | 174.7 | -60.5 | 0 | 0 | 0 | 0 | 113.7 | Y125 Y129 D158 N160 V161 | Y125-V210 HydrophobicContact CD2-CG1 3.93Å; Y125-V210 HydrophobicContact CE2-CG1 4.04Å; Y129-V210 HydrophobicContact CD1-CB 3.9Å; Y129-V210 HydrophobicContact CD1-CG2 3.63Å; Y129-V210 HydrophobicContact CD2-CB 4.38Å; Y129-V210 HydrophobicContact CD2-CG2 3.78Å; Y129-V210 HydrophobicContact CE1-CB 4.43Å; Y129-V210 HydrophobicContact CE1-CG2 3.71Å; Y129-V210 HydrophobicContact CE2-CG2 3.84Å; Y129-V210 HydrophobicContact CG-CB 3.88Å; Y129-V210 HydrophobicContact CG-CG2 3.68Å; D158-V210 HydrophobicContact CB-CG1 4.24Å; D158-V210 WeakPolarHBondContact OD1-CG2 3.37Å; D158-V210 PolarHBondContact OD2-N 3.43Å; N160-V210 HydrophobicContact CB-CG2 3.97Å; V161-V210 HydrophobicContact CG2-CB 4.26Å; V161-V210 HydrophobicContact CG2-CG1 3.62Å; V161-V210 HydrophobicContact CG2-CG2 3.87Å |
| 211 | E | 71.4 | Confident | 47.5 | Very low | 79 Ų | 79 | 100.3 Ų | 100.3 | 37% | 0.369 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -18.9 | 175.7 | -53.9 | -127.6 | 116.4 | 0 | 0 | 112.6 | Y129 K133 N160 S209 | Y129-E211 HydrophobicContact CE1-CG 3.86Å; Y129-E211 VanDerWaalsContact CE1-OE1 3.3Å; Y129-E211 WeakPolarHBondContact CE1-OE1 3.45Å; Y129-E211 PolarHBondContact OH-OE1 3.04Å; K133-E211 IonicContact NZ-OE1 2.73Å; K133-E211 PolarHBondContact NZ-OE1 2.68Å; K133-E211 IonicContact NZ-OE2 2.71Å; N160-E211 HydrophobicContact CB-CG 4.37Å; S209-E211 PolarHBondContact O-N 2.96Å; S209-E211 VanDerWaalsContact O-N 3.14Å; S209-E211 PolarHBondContact OG-N 3.43Å |
| 212 | E | 81 | Confident | 47.8 | Very low | 87 Ų | 87 | 102.6 Ų | 102.6 | 41% | 0.407 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -81.1 | 138.2 | 179.9 | -72 | 168.7 | 162.1 | 0 | 0 | 111.4 | R126 R130 S209 | R126-E212 PolarHBondContact NE-O 3.38Å; R130-E212 PolarHBondContact NH2-O 2.79Å; S209-E212 WeakPolarHBondContact CB-OE2 3.38Å; S209-E212 PolarHBondContact N-OE2 3.36Å; S209-E212 PolarHBondContact O-N 3.38Å |
| 213 | I | 78.2 | Confident | 47.6 | Very low | 7 Ų | 7 | 103.6 Ų | 103.6 | 4% | 0.036 | 57% | 0.567 | C | S | . | * | P | Polyproline II helix | trans | -67.4 | 157.1 | 175.1 | 51.1 | 155.4 | 0 | 0 | 0 | 112.2 | N51 F54 N94 A97 I215 | N51-I213 HydrophobicContact CB-CD1 3.97Å; F54-I213 HydrophobicContact CB-CD1 3.78Å; F54-I213 HydrophobicContact CD1-CB 4.26Å; F54-I213 HydrophobicContact CD1-CD1 3.51Å; F54-I213 HydrophobicContact CD1-CG1 3.6Å; F54-I213 HydrophobicContact CD1-CG2 3.68Å; F54-I213 HydrophobicContact CD2-CG2 4.04Å; F54-I213 HydrophobicContact CE1-CB 4.25Å; F54-I213 HydrophobicContact CE1-CD1 4.31Å; F54-I213 HydrophobicContact CE1-CG1 3.91Å; F54-I213 HydrophobicContact CE1-CG2 3.43Å; F54-I213 VanDerWaalsContact CE1-CG2 3.43Å; F54-I213 HydrophobicContact CE2-CG2 3.8Å; F54-I213 HydrophobicContact CG-CD1 3.78Å; F54-I213 HydrophobicContact CG-CG1 4.28Å; F54-I213 HydrophobicContact CG-CG2 3.99Å; F54-I213 HydrophobicContact CZ-CG2 3.5Å; F54-I213 VanDerWaalsContact CZ-CG2 3.5Å; N94-I213 HydrophobicContact CB-CB 4.46Å; N94-I213 HydrophobicContact CB-CG2 4.08Å; N94-I213 WeakPolarHBondContact OD1-CB 3.38Å; A97-I213 HydrophobicContact CB-CG2 3.94Å; I213-I215 HydrophobicContact CD1-CG1 4.49Å; I213-I215 HydrophobicContact CG1-CG1 4.34Å; I213-I215 PolarHBondContact O-N 3.17Å |
| 214 | E | 73 | Confident | 47.8 | Very low | 26 Ų | 26 | 97.5 Ų | 97.5 | 12% | 0.121 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -71.9 | 121.7 | 173.8 | -59.9 | -113.9 | 141.8 | 0 | 0 | 110 | K90 N94 R126 | K90-E214 HydrophobicContact CD-CB 4.38Å; K90-E214 WeakPolarHBondContact CD-OE2 3.39Å; K90-E214 VanDerWaalsContact CE-OE2 3.31Å; K90-E214 WeakPolarHBondContact CE-OE2 3.49Å; K90-E214 HydrophobicContact CG-CB 4.48Å; K90-E214 HydrophobicContact CG-CG 4.42Å; K90-E214 IonicContact NZ-OE2 3.73Å; K90-E214 PolarHBondContact NZ-OE2 3.3Å; N94-E214 PolarHBondContact ND2-N 2.59Å; N94-E214 PolarHBondContact ND2-O 3.49Å; N94-E214 PolarHBondContact OD1-N 3.22Å; R126-E214 WeakPolarHBondContact CD-OE1 3.44Å; R126-E214 IonicContact CZ-OE1 2.75Å; R126-E214 IonicContact NE-OE1 2.75Å; R126-E214 IonicContact NH1-OE1 2.74Å; R126-E214 PolarHBondContact NH1-OE1 2.89Å |
| 215 | I | 68.5 | Low | 48 | Very low | 99 Ų | 99 | 97.2 Ų | 97.2 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | trans | -108.4 | -11.4 | -178 | -61.3 | 165.1 | 0 | 0 | 0 | 112 | I213 V217 | I213-I215 HydrophobicContact CD1-CG1 4.49Å; I213-I215 HydrophobicContact CG1-CG1 4.34Å; I213-I215 PolarHBondContact O-N 3.17Å; I215-V217 PolarHBondContact O-N 2.95Å | ||
| 216 | E | 52.5 | Low | 47.9 | Very low | 152 Ų | 152 | 92.4 Ų | 92.4 | 71% | 0.71 | 56% | 0.558 | S | S | * | * | trans | -66 | 128.7 | -172.1 | -73.4 | -153.1 | 141.8 | 0 | 0 | 114.4 | ||||
| 217 | V | 45.3 | Very low | 47.9 | Very low | 95 Ų | 95 | 96.8 Ų | 96.8 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | trans | -112.8 | 104.3 | 178.2 | 172.7 | 0 | 0 | 0 | 0 | 109 | W44 I215 | W44-V217 HydrophobicContact CZ2-CB 3.96Å; W44-V217 HydrophobicContact CZ2-CG1 3.7Å; W44-V217 HydrophobicContact CZ2-CG2 3.96Å; I215-V217 PolarHBondContact O-N 2.95Å | ||
| 218 | P | 33.6 | Very low | 47.2 | Very low | 81 Ų | 81 | 96.3 Ų | 96.3 | 53% | 0.526 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -70.2 | 136.1 | 166.5 | -14.8 | 31.1 | 0 | 0 | 0 | 109.8 | W44 | W44-P218 VanDerWaalsContact CH2-CD 3.49Š|
| 219 | P | 31.8 | Very low | 45.9 | Very low | 120 Ų | 120 | 97.3 Ų | 97.3 | 78% | 0.779 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 133.5 | 171.1 | 29.4 | -32.9 | 0 | 0 | 0 | 110.4 | A221 | P219-A221 PolarHBondContact O-N 3.29Š|
| 220 | F | 32.7 | Very low | 43.4 | Very low | 114 Ų | 114 | 99.9 Ų | 99.9 | 50% | 0.5 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 118 | 167.7 | -100 | -92 | 0 | 0 | 0 | 109.9 | K40 Q222 | K40-F220 HydrophobicContact CB-CZ 4.26Å; F220-Q222 PolarHBondContact O-N 3.46Å |
| 221 | A | 29.3 | Very low | 41.3 | Very low | 96 Ų | 96 | 106 Ų | 106 | 79% | 0.793 | 65% | 0.652 | S | S | * | * | trans | -78.6 | 99.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P219 D223 | P219-A221 PolarHBondContact O-N 3.29Å; A221-D223 PolarHBondContact O-N 3.36Å | ||
| 222 | Q | 28.9 | Very low | 39.2 | Very low | 168 Ų | 168 | 106.9 Ų | 106.9 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | trans | -78.8 | 100.4 | 169.2 | -72.1 | -176.4 | -10.8 | 0 | 0 | 109.8 | F220 | F220-Q222 PolarHBondContact O-N 3.46Š| ||
| 223 | D | 26.5 | Very low | 36.7 | Very low | 172 Ų | 172 | 108.2 Ų | 108.2 | 92% | 0.92 | 69% | 0.689 | S | S | * | * | trans | -103.4 | 113.3 | 165.3 | -117.7 | -33.8 | 0 | 0 | 0 | 108.9 | A221 | A221-D223 PolarHBondContact O-N 3.36Š| ||
| 224 | G | 27.5 | Very low | 34.2 | Very low | 79 Ų | 79 | 115.8 Ų | 115.8 | 81% | 0.814 | 73% | 0.727 | S | S | * | * | trans | 172.7 | 100.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 225 | S | 29.2 | Very low | 31.8 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -119.5 | 128.2 | -177.2 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 226 | V | 27.5 | Very low | 29.9 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | -138.1 | 141.5 | 170.5 | -176 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 227 | L | 30 | Very low | 28.4 | Very low | 161 Ų | 161 | 122.3 Ų | 122.3 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -96 | 146.4 | -169.5 | -70.2 | 161.3 | 0 | 0 | 0 | 113.9 | ||||
| 228 | A | 24.1 | Very low | 27.4 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -145.7 | 157.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 229 | S | 24.5 | Very low | 27 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -117.9 | 128.4 | -143.8 | -56.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 230 | G | 21.6 | Very low | 26.5 | Very low | 75 Ų | 75 | 122.3 Ų | 122.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 83.5 | 176.6 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 231 | P | 30.9 | Very low | 26.1 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | cis | -117.9 | 164.3 | -15.9 | 39.3 | -27 | 0 | 0 | 0 | 113.4 | ||||
| 232 | A | 25.6 | Very low | 25.8 | Very low | 97 Ų | 97 | 125.3 Ų | 125.3 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -95.1 | 162.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 233 | P | 28.9 | Very low | 26.5 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | -127.2 | 134.6 | 142.4 | 7.4 | 14.6 | 0 | 0 | 0 | 114.8 | ||||
| 234 | I | 25.8 | Very low | 26.3 | Very low | 166 Ų | 166 | 122.4 Ų | 122.4 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | 74.7 | 90.7 | 138.8 | -57 | 169.8 | 0 | 0 | 0 | 117.8 | ||||
| 235 | Q | 23.9 | Very low | 26.2 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | trans | -51.1 | 169.9 | 148.8 | -114.4 | -178.7 | 6.7 | 0 | 0 | 113.2 | L237 | Q235-L237 HydrophobicContact CG-CD1 4.19Š| ||
| 236 | P | 28.3 | Very low | 26 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | -148.9 | 158.9 | 54.1 | 43.4 | -23.3 | 0 | 0 | 0 | 119.6 | |||||
| 237 | L | 21.1 | Very low | 25.9 | Very low | 140 Ų | 140 | 125 Ų | 125 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -80.7 | 172.7 | 153.4 | -59.1 | 76.4 | 0 | 0 | 0 | 107.7 | Q235 | Q235-L237 HydrophobicContact CG-CD1 4.19Š| ||
| 238 | A | 24.4 | Very low | 25.6 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | cis | -149.4 | -158.2 | 15.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 239 | A | 23.8 | Very low | 25.8 | Very low | 85 Ų | 85 | 125 Ų | 125 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | cis | -160.2 | 151.7 | 18.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 240 | V | 22.6 | Very low | 25.7 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | 20.8 | 114.9 | 141.2 | -161.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 241 | H | 24.4 | Very low | 25.9 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | 173.4 | 150.1 | 113.8 | -93.9 | -71.4 | 0 | 0 | 0 | 111.7 | |||||
| 242 | A | 22.6 | Very low | 25.7 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -129.5 | 177.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 243 | P | 42.6 | Very low | 26.9 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | cis | -126.6 | -169.1 | -8.5 | 40.8 | -25.2 | 0 | 0 | 0 | 111.9 | ||||
| 244 | L | 23.1 | Very low | 27.7 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | -180 | 155.9 | 121.4 | -96.5 | 164.9 | 0 | 0 | 0 | 112.2 | |||||
| 245 | N | 26.2 | Very low | 27.8 | Very low | 148 Ų | 148 | 128.8 Ų | 128.8 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -96.2 | 153.7 | 170.2 | -80.7 | -11.2 | 0 | 0 | 0 | 110.4 | ||||
| 246 | D | 23.8 | Very low | 27.9 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | -176.8 | 159.6 | 138.2 | -91.6 | -19.2 | 0 | 0 | 0 | 108.8 | ||||
| 247 | S | 25.1 | Very low | 27.8 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | cis | -176.6 | 117.1 | -43.1 | 54.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 248 | V | 25.4 | Very low | 28 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | 55.6 | -175.4 | 179.6 | -122.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 249 | V | 26.2 | Very low | 28 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -147 | 175.4 | 0.9 | -119.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 250 | D | 23.6 | Very low | 28.2 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | cis | -156.3 | -171.6 | 8.6 | -138.3 | -45.2 | 0 | 0 | 0 | 111.4 | ||||
| 251 | E | 25.8 | Very low | 28.5 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -105.7 | 166.3 | 175.8 | -84.9 | -155 | 132.9 | 0 | 0 | 113.4 | ||||
| 252 | L | 26.5 | Very low | 29.6 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | cis | -151.4 | -146.3 | 1.8 | -123.8 | -179.3 | 0 | 0 | 0 | 110.3 | ||||
| 253 | P | 51.8 | Low | 31.1 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | trans | -113.2 | -165.6 | -162 | 43.3 | -25.9 | 0 | 0 | 0 | 115 | ||||
| 254 | P | 44.3 | Very low | 30.3 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | -147.6 | -169.4 | 98.4 | 38 | -18.8 | 0 | 0 | 0 | 116.6 | |||||
| 255 | S | 27.3 | Very low | 30.6 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -124.1 | 170.6 | -152.8 | 59.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 256 | K | 26.9 | Very low | 32 | Very low | 197 Ų | 197 | 132.5 Ų | 132.5 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -175.5 | 145.9 | 145.1 | -108 | 162.3 | -175.3 | 176.5 | 0 | 118.4 | ||||
| 257 | S | 26.2 | Very low | 33.2 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | 77.1 | 161.6 | 152.2 | -60.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 258 | I | 25 | Very low | 33.2 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | cis | -171.8 | 151.1 | -41.4 | -146.8 | -179.1 | 0 | 0 | 0 | 113.4 | ||||
| 259 | L | 25 | Very low | 33.3 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | 59.6 | 179.2 | 165.4 | -58.1 | -174.1 | 0 | 0 | 0 | 118.2 | ||||
| 260 | S | 27.8 | Very low | 33.3 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | cis | -163.2 | 157.5 | -47 | -84.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 261 | V | 28.4 | Very low | 33.4 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | cis | 87.8 | 106.7 | 20.7 | -179.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 262 | P | 48.7 | Very low | 33.4 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | -144 | -121.8 | 123.3 | 33.7 | -8.7 | 0 | 0 | 0 | 117.1 | |||||
| 263 | P | 52.9 | Low | 33.4 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -139.5 | 166.3 | -133.5 | 41.4 | -19.5 | 0 | 0 | 0 | 121.6 | ||||
| 264 | S | 26.7 | Very low | 32.2 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | 175.6 | 149 | 124.7 | 39 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 265 | E | 28.1 | Very low | 31.9 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -94.1 | 171.9 | -141.7 | -79.4 | -174.5 | 131.5 | 0 | 0 | 122.4 | ||||
| 266 | P | 56.6 | Low | 31.9 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -114.5 | 170.4 | 175.7 | 44 | -35.9 | 0 | 0 | 0 | 116.4 | ||||
| 267 | P | 48 | Very low | 32 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -140.3 | 176.7 | 132.1 | 37.9 | -24.2 | 0 | 0 | 0 | 113.1 | ||||
| 268 | G | 25.9 | Very low | 32.1 | Very low | 67 Ų | 67 | 128.8 Ų | 128.8 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | cis | 166.4 | -164.9 | -3.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 269 | F | 28.1 | Very low | 32.9 | Very low | 206 Ų | 206 | 127.7 Ų | 127.7 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | 76.3 | 159.9 | 175.8 | -84 | -72.6 | 0 | 0 | 0 | 121.3 | ||||
| 270 | E | 24.7 | Very low | 32.9 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -114.8 | 175.9 | -150.4 | -52 | 167.4 | 111.9 | 0 | 0 | 112.4 | ||||
| 271 | S | 27 | Very low | 32.9 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | cis | -179.4 | 162.8 | 42.4 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 272 | V | 26.3 | Very low | 32.8 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 48.4 | 133.8 | 137 | 171.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 273 | S | 25.1 | Very low | 32.2 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | cis | -165.8 | 170.4 | -5 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 274 | L | 26.2 | Very low | 30.9 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | -57 | 172.5 | 161.3 | -85.1 | 174.5 | 0 | 0 | 0 | 113.7 | ||||
| 275 | P | 39.6 | Very low | 30.8 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | cis | -158.3 | 173.4 | 42.5 | 45.6 | -23.5 | 0 | 0 | 0 | 122.8 | ||||
| 276 | V | 26.4 | Very low | 30.5 | Very low | 132 Ų | 132 | 127 Ų | 127 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | 69.2 | 134.4 | 142.8 | 158.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 277 | S | 29.2 | Very low | 29 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | cis | -135.3 | 168.2 | 15 | -39 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 278 | A | 28.6 | Very low | 28 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | -125.9 | -169.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 279 | P | 41.5 | Very low | 28 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | cis | -114.7 | -134.8 | -11.4 | 25.6 | -0.5 | 0 | 0 | 0 | 111 | ||||
| 280 | T | 25.2 | Very low | 27.8 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | cis | -157.8 | -164.2 | 11.8 | -21.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 281 | S | 27.4 | Very low | 27.8 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | -100.7 | 142 | -165.7 | 52.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 282 | V | 26 | Very low | 27.6 | Very low | 133 Ų | 133 | 128 Ų | 128 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | 38.3 | 145 | 107.4 | 178 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 283 | P | 37.3 | Very low | 27.5 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | cis | -135.2 | -178.9 | 8.7 | 32.9 | -10 | 0 | 0 | 0 | 118.6 | ||||
| 284 | L | 25.6 | Very low | 27.8 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -8.8 | 142.9 | 151.3 | -57.9 | 163.1 | 0 | 0 | 0 | 121.5 | ||||
| 285 | S | 22.9 | Very low | 27.9 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | -175.9 | -172.2 | 115.1 | -156.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 286 | M | 23 | Very low | 27.2 | Very low | 156 Ų | 156 | 132 Ų | 132 | 77% | 0.768 | 79% | 0.787 | S | S | * | * | trans | -104.1 | 170.4 | -164.9 | -74.7 | -141.6 | -164.5 | 0 | 0 | 118.2 | ||||
| 287 | H | 25.9 | Very low | 27.1 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | 89.2 | 98.2 | 149 | -70.1 | -54.8 | 0 | 0 | 0 | 123.1 | ||||
| 288 | S | 26.2 | Very low | 27.5 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | 48.8 | 105 | 113.1 | -51.3 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 289 | F | 25.2 | Very low | 27.4 | Very low | 203 Ų | 203 | 134.1 Ų | 134.1 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -154.2 | 154.5 | 144.6 | -75.6 | -78.4 | 0 | 0 | 0 | 107 | ||||
| 290 | V | 24.2 | Very low | 26.6 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | cis | 132.6 | 113.4 | -1.7 | 164.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 291 | N | 25 | Very low | 26.7 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | 70.2 | 138.1 | 161.5 | -72.7 | -12 | 0 | 0 | 0 | 124.7 | ||||
| 292 | G | 23.1 | Very low | 26.5 | Very low | 72 Ų | 72 | 141.3 Ų | 141.3 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 115.7 | 111.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 293 | C | 24.4 | Very low | 26.3 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | 63.5 | 142.3 | 59 | -70.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 294 | R | 30.9 | Very low | 27.1 | Very low | 219 Ų | 219 | 142.5 Ų | 142.5 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | cis | -175.3 | 165.4 | 4.4 | -111.3 | 175.6 | -166.9 | -157.1 | 2.5 | 107.9 | ||||
| 295 | T | 29.3 | Very low | 27 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | cis | -172.3 | 154.8 | -23.8 | 14.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 296 | S | 24.2 | Very low | 27.2 | Very low | 126 Ų | 126 | 141 Ų | 141 | 88% | 0.881 | 77% | 0.77 | S | S | * | * | trans | -142.5 | 161.9 | 157.6 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 297 | K | 24.8 | Very low | 27.3 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -148.1 | -178.6 | -163.4 | -114.3 | -172.9 | -179.9 | -168.3 | 0 | 108.8 | ||||
| 298 | P | 36.8 | Very low | 27.3 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | cis | -144.9 | -151 | 31.5 | 40.9 | -17.5 | 0 | 0 | 0 | 115.1 | ||||
| 299 | C | 26.8 | Very low | 27.4 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 52% | 0.52 | 77% | 0.765 | S | S | . | * | 179.5 | 141.8 | -73.1 | -166.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 300 | Q | 24.6 | Very low | 27.5 | Very low | 182 Ų | 182 | 137 Ų | 137 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | 171.4 | 129.1 | 145.7 | -94.2 | 165.6 | 15.3 | 0 | 0 | 108.3 | ||||
| 301 | I | 27.6 | Very low | 27.7 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | 87.6 | 117.3 | 51.5 | -68.1 | 167.2 | 0 | 0 | 0 | 110.6 | |||||
| 302 | L | 22.4 | Very low | 28.2 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | -152.9 | -175.1 | 72.7 | -120.7 | 131.1 | 0 | 0 | 0 | 115.5 | |||||
| 303 | E | 21.8 | Very low | 28.6 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -146.4 | -171.7 | -167.6 | -114.7 | -167.6 | 172.8 | 0 | 0 | 109.6 | ||||
| 304 | P | 54.2 | Low | 28.8 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | cis | -138.5 | -154.7 | -38.2 | 40.4 | -21 | 0 | 0 | 0 | 112.9 | ||||
| 305 | S | 24.6 | Very low | 28.7 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 80.5 | 155 | 160 | 81.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 306 | Q | 26.1 | Very low | 28.6 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | cis | -138.3 | -137.5 | 1.4 | -158.6 | 156.5 | -1.7 | 0 | 0 | 114.7 | ||||
| 307 | D | 26.2 | Very low | 29.4 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 59% | 0.594 | 75% | 0.749 | S | S | * | * | trans | -137.7 | 175.2 | -145.6 | -44.8 | -44.1 | 0 | 0 | 0 | 115.3 | ||||
| 308 | F | 26.1 | Very low | 29.9 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 82% | 0.82 | 75% | 0.749 | S | S | * | * | trans | 72.5 | 162.4 | 168.1 | -58.4 | -79.2 | 0 | 0 | 0 | 119.8 | ||||
| 309 | D | 26.7 | Very low | 29.6 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | cis | -169.4 | 161.8 | -46.7 | -153.5 | -7.6 | 0 | 0 | 0 | 111.2 | ||||
| 310 | T | 26.8 | Very low | 29.9 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 64% | 0.638 | 76% | 0.762 | S | S | * | * | trans | 57.9 | 144.3 | 155.5 | 36 | 0 | 0 | 0 | 0 | 124 | ||||
| 311 | D | 29.3 | Very low | 30.4 | Very low | 134 Ų | 134 | 142 Ų | 142 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | 70 | 152.2 | 145.6 | -67.2 | 3.3 | 0 | 0 | 0 | 121.5 | ||||
| 312 | I | 35.1 | Very low | 30.6 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | cis | -172.2 | 171.3 | -37.8 | -118.1 | 169.5 | 0 | 0 | 0 | 106.7 | ||||
| 313 | I | 31.6 | Very low | 31 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | 74.7 | 138.3 | -174.3 | -44.7 | 178.9 | 0 | 0 | 0 | 112.2 | ||||
| 314 | G | 28 | Very low | 31.3 | Very low | 65 Ų | 65 | 139.4 Ų | 139.4 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | cis | 173.1 | 176.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 315 | D | 29.8 | Very low | 30.1 | Very low | 159 Ų | 159 | 138 Ų | 138 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -67.8 | 149 | 174.4 | -57.1 | -72.1 | 0 | 0 | 0 | 111.6 | ||||
| 316 | D | 28.1 | Very low | 31.8 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | -152.8 | 145 | 127 | -97.1 | -34.4 | 0 | 0 | 0 | 109 | |||||
| 317 | L | 39.8 | Very low | 31.9 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -127.1 | 157.2 | -176.9 | -159.9 | 82.3 | 0 | 0 | 0 | 109 | ||||
| 318 | D | 36.2 | Very low | 33 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 58.5 | 74 | 168.7 | -61 | -23.3 | 0 | 0 | 0 | 115.9 | ||||
| 319 | D | 29.6 | Very low | 33.1 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -142.2 | 156.4 | 151.7 | -137.3 | -26.1 | 0 | 0 | 0 | 111.7 | ||||
| 320 | L | 33.9 | Very low | 33.2 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | trans | 66.8 | 52.3 | 175.7 | -52.5 | -178.5 | 0 | 0 | 0 | 118.7 | ||||
| 321 | L | 34 | Very low | 33.2 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -96.4 | 82.5 | 132.2 | -100.2 | 178.8 | 0 | 0 | 0 | 109 | ||||
| 322 | D | 32.3 | Very low | 33.1 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 178.3 | 109.3 | 150.6 | -103.2 | -19 | 0 | 0 | 0 | 112.9 | ||||
| 323 | Q | 31 | Very low | 33.4 | Very low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | 164.4 | 137.1 | 124.4 | -89 | 155.1 | 97.4 | 0 | 0 | 114.4 | |||||
| 324 | A | 28.8 | Very low | 33.3 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 33.1 | 133.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 325 | G | 28.9 | Very low | 33.4 | Very low | 70 Ų | 70 | 137.9 Ų | 137.9 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -102.6 | -160.4 | 143.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 326 | P | 60 | Low | 33.3 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | cis | -127.3 | -145.5 | -3.6 | 36.2 | -14.6 | 0 | 0 | 0 | 112.3 | ||||
| 327 | E | 27.6 | Very low | 33.1 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 83.8 | 170.7 | 172.1 | -51.3 | -55.7 | 136.1 | 0 | 0 | 116.9 | ||||
| 328 | P | 48.7 | Very low | 33.5 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | -145.2 | -177.4 | -86.4 | 43.7 | -23.9 | 0 | 0 | 0 | 118.5 | |||||
| 329 | D | 28.2 | Very low | 33 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | 78.9 | 171.5 | 144.7 | -144.8 | 2.6 | 0 | 0 | 0 | 122.2 | ||||
| 330 | M | 28.9 | Very low | 33.6 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 86% | 0.862 | 78% | 0.783 | S | S | * | * | trans | 83.9 | 129.5 | -173.4 | -66.9 | -78.1 | -160.5 | 0 | 0 | 117.2 | ||||
| 331 | G | 28.1 | Very low | 33.6 | Very low | 61 Ų | 61 | 133.1 Ų | 133.1 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | cis | 160.4 | 170.9 | -10.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 332 | I | 27.5 | Very low | 34 | Very low | 160 Ų | 160 | 130 Ų | 130 | 82% | 0.821 | 78% | 0.777 | S | S | * | * | trans | 77.3 | 132.8 | 161.6 | -57.3 | 174.4 | 0 | 0 | 0 | 117.6 | ||||
| 333 | P | 40.2 | Very low | 34.1 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | cis | -133.9 | 175.3 | -20.7 | 37.3 | -18.1 | 0 | 0 | 0 | 116.3 | ||||
| 334 | T | 30.6 | Very low | 34.4 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -98.6 | 168 | 177.5 | -27.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 335 | V | 29.1 | Very low | 34.4 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | trans | -171.8 | 124.9 | 131.9 | 136.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 336 | K | 28 | Very low | 34.4 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | 43 | 139.3 | 147.7 | -55 | 171.7 | -176.3 | 175.5 | 0 | 123.7 | ||||
| 337 | G | 23.9 | Very low | 33.1 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | -103.9 | -148 | 153 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 338 | P | 48.4 | Very low | 33.1 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | cis | -140.6 | -175.9 | 0.7 | 43.5 | -25.1 | 0 | 0 | 0 | 116.8 | ||||
| 339 | L | 24.8 | Very low | 32.2 | Very low | 162 Ų | 162 | 126.2 Ų | 126.2 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | 70.8 | 161.5 | 164.6 | -57.3 | 176.2 | 0 | 0 | 0 | 118.8 | ||||
| 340 | P | 42.2 | Very low | 32.2 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -131.6 | -176.3 | -45.2 | 38.8 | -22.9 | 0 | 0 | 0 | 114.2 | ||||
| 341 | L | 34.2 | Very low | 32.2 | Very low | 163 Ų | 163 | 122.6 Ų | 122.6 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -77.8 | 172.8 | 179 | -65.9 | 165.4 | 0 | 0 | 0 | 114.1 | ||||
| 342 | P | 43.2 | Very low | 32.1 | Very low | 110 Ų | 110 | 125.1 Ų | 125.1 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | -151.8 | 145.9 | 100.6 | 40.1 | -23.6 | 0 | 0 | 0 | 118.5 | |||||
| 343 | T | 34.6 | Very low | 32.1 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 53.1 | 153.9 | 145 | 49.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 344 | S | 36.3 | Very low | 32.9 | Very low | 99 Ų | 99 | 123.9 Ų | 123.9 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | cis | -161.5 | 168 | -3.4 | 38.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 345 | I | 28.8 | Very low | 32.6 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | -164 | 129.8 | 52.1 | 31.8 | 173.2 | 0 | 0 | 0 | 107.4 | |||||
| 346 | S | 29.7 | Very low | 32.4 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | 69.8 | 135.9 | 67.7 | 74.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 347 | S | 31.4 | Very low | 32.4 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | cis | -169.8 | 177 | -5.1 | -84.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 348 | G | 27.3 | Very low | 33.3 | Very low | 61 Ų | 61 | 128.7 Ų | 128.7 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | cis | 153.2 | 164.5 | -3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 349 | S | 30.5 | Very low | 32.3 | Very low | 126 Ų | 126 | 128 Ų | 128 | 88% | 0.881 | 77% | 0.772 | S | S | * | * | trans | 66.7 | 159.9 | 168.2 | 68.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 350 | S | 28.2 | Very low | 32.4 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | cis | -174.1 | 150.7 | -29.5 | 57.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 351 | L | 28.3 | Very low | 31.8 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | 67.3 | 124.5 | 147.6 | -69.2 | 165.7 | 0 | 0 | 0 | 124.3 | ||||
| 352 | S | 26.6 | Very low | 31.3 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | 63.1 | 141.7 | 139.5 | 55.9 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 353 | N | 28.2 | Very low | 31.3 | Very low | 154 Ų | 154 | 124.7 Ų | 124.7 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -32.3 | 174.6 | 159.4 | -85.2 | 9.6 | 0 | 0 | 0 | 119.6 | ||||
| 354 | P | 55.8 | Low | 31 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | cis | -144 | -174.4 | -24.5 | 38.3 | -18.1 | 0 | 0 | 0 | 116.9 | ||||
| 355 | F | 24.6 | Very low | 30.4 | Very low | 195 Ų | 195 | 130.3 Ų | 130.3 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | 79.1 | 148.5 | 148.3 | -93.9 | -66.4 | 0 | 0 | 0 | 124.6 | ||||
| 356 | L | 24.7 | Very low | 30.4 | Very low | 157 Ų | 157 | 131 Ų | 131 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 90.7 | 151.7 | 150.7 | -78 | 165.7 | 0 | 0 | 0 | 123.5 | ||||
| 357 | I | 28.9 | Very low | 30.2 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | trans | -157.7 | 145.1 | -170.7 | -33 | 172.1 | 0 | 0 | 0 | 108.3 | ||||
| 358 | P | 43.3 | Very low | 29.9 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | -157.6 | 169.7 | 125.3 | 41.4 | -24 | 0 | 0 | 0 | 117.7 | |||||
| 359 | S | 27.3 | Very low | 29.8 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 61.5 | 146.8 | 136.4 | -73 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 360 | D | 26.7 | Very low | 29.8 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | cis | -165.9 | 176.6 | -5.5 | -127.3 | -56.6 | 0 | 0 | 0 | 115.5 | ||||
| 361 | I | 28.6 | Very low | 29.8 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | 85.8 | 150.5 | 158.9 | -69.4 | 154.8 | 0 | 0 | 0 | 120.4 | ||||
| 362 | S | 25.1 | Very low | 29.6 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -128.7 | -160.6 | -158.3 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 363 | P | 42.6 | Very low | 29.7 | Very low | 90 Ų | 90 | 138.2 Ų | 138.2 | 58% | 0.584 | 76% | 0.755 | S | S | * | * | cis | -143 | -177.6 | 13.1 | 35.3 | -10.1 | 0 | 0 | 0 | 119.2 | ||||
| 364 | Y | 27.3 | Very low | 29.7 | Very low | 210 Ų | 210 | 137 Ų | 137 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | 71.2 | 142.2 | 164.7 | -60.3 | -54.6 | 0 | 0 | 0 | 118.1 | ||||
| 365 | L | 25.4 | Very low | 28.2 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | cis | -153.7 | 156.5 | 1.7 | -108.1 | 158.7 | 0 | 0 | 0 | 110.5 | ||||
| 366 | H | 28.4 | Very low | 28.3 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | trans | 12.6 | 147.9 | 165.7 | -75.7 | -66.7 | 0 | 0 | 0 | 122.8 | ||||
| 367 | N | 24.4 | Very low | 28.8 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | cis | -143.1 | 172.6 | 42.2 | -155.2 | 6.6 | 0 | 0 | 0 | 115.3 | ||||
| 368 | S | 25.4 | Very low | 29.2 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | trans | -113.1 | 153.4 | -150.2 | 56.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 369 | S | 24.9 | Very low | 28.3 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -137.9 | 115.8 | 152.8 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 370 | Q | 31.5 | Very low | 28.2 | Very low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | 177.3 | 169 | 176.6 | -105.8 | 177.2 | 30.3 | 0 | 0 | 106.7 | ||||
| 371 | Q | 27.8 | Very low | 28.1 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | cis | -133.3 | 151.1 | 22.5 | -77.7 | -174.3 | -24.8 | 0 | 0 | 110.5 | ||||
| 372 | C | 25.3 | Very low | 27.9 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 72% | 0.716 | 75% | 0.748 | S | S | * | * | 74.2 | 153.1 | 68 | -108.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 373 | T | 28.7 | Very low | 27.9 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | cis | -134.1 | -149.8 | 14.9 | -21.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 374 | V | 26.2 | Very low | 27 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | cis | -152.1 | -179.5 | 13.2 | 90.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 375 | T | 25.5 | Very low | 26.9 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | trans | -98.1 | 175.7 | -171.1 | 41.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 376 | L | 25.6 | Very low | 27 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | cis | -161.4 | 177.7 | -1.2 | -105.9 | 155.1 | 0 | 0 | 0 | 109 | ||||
| 377 | P | 35 | Very low | 26.9 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -111.5 | -156.3 | -166.6 | 40.9 | -32.4 | 0 | 0 | 0 | 116 | ||||
| 378 | P | 38.9 | Very low | 27 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | -127.9 | 172.3 | -68.4 | 38.7 | -22.5 | 0 | 0 | 0 | 114.8 | |||||
| 379 | L | 23.8 | Very low | 27.1 | Very low | 170 Ų | 170 | 135 Ų | 135 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -142.4 | 118.8 | 172.6 | -76.4 | 176.6 | 0 | 0 | 0 | 116.9 | ||||
| 380 | Y | 26 | Very low | 27.1 | Very low | 209 Ų | 209 | 133.1 Ų | 133.1 | 82% | 0.82 | 76% | 0.763 | S | S | * | * | trans | 41 | 129.7 | 135.1 | -104.5 | -107.1 | 0 | 0 | 0 | 125.9 | ||||
| 381 | N | 24.2 | Very low | 26.7 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | trans | 78.3 | 122.4 | 140.9 | -100.4 | -7.4 | 0 | 0 | 0 | 124.2 | ||||
| 382 | K | 23.5 | Very low | 26.6 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | 46.4 | 143.4 | 122.6 | -68.7 | 179.4 | -172.3 | -180 | 0 | 120.5 | |||||
| 383 | S | 25.1 | Very low | 26.7 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | cis | -161.5 | 173 | -1.2 | -82.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 384 | G | 25 | Very low | 26.4 | Very low | 65 Ų | 65 | 133.4 Ų | 133.4 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | cis | 157.5 | 148.3 | -6.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 385 | S | 25.2 | Very low | 26.5 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | 64.2 | 140.5 | 135.8 | -155 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 386 | S | 26.3 | Very low | 26.4 | Very low | 92 Ų | 92 | 136 Ų | 136 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | cis | -176.6 | 178.7 | -16.6 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 387 | T | 26.7 | Very low | 26.6 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | 76.7 | 154.8 | 164.4 | 77 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 388 | L | 26.3 | Very low | 26.7 | Very low | 138 Ų | 138 | 137 Ų | 137 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | cis | -153.1 | 140 | 8 | -159.5 | 68.9 | 0 | 0 | 0 | 112.5 | ||||
| 389 | F | 27.4 | Very low | 26.3 | Very low | 205 Ų | 205 | 136.7 Ų | 136.7 | 90% | 0.899 | 77% | 0.773 | S | S | * | * | trans | 30.2 | 147.6 | 151 | -74.3 | -121.3 | 0 | 0 | 0 | 123.7 | ||||
| 390 | G | 24.1 | Very low | 27.2 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 167.6 | 139.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 391 | M | 25.2 | Very low | 27.2 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 82% | 0.823 | 77% | 0.767 | S | S | * | * | trans | -133.1 | 165.8 | 175 | -91.3 | -179.5 | 59 | 0 | 0 | 111.5 | ||||
| 392 | D | 25.6 | Very low | 27.3 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | trans | 78.1 | 101 | 151.9 | -63.7 | -14.4 | 0 | 0 | 0 | 123.3 | ||||
| 393 | T | 25.6 | Very low | 27.4 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | 67.3 | 135.9 | 123.9 | 4.3 | 0 | 0 | 0 | 0 | 126.4 | |||||
| 394 | F | 23.7 | Very low | 27.4 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | 90.4 | 125.5 | 145.3 | -73.5 | -55.1 | 0 | 0 | 0 | 123.9 | ||||
| 395 | H | 27.5 | Very low | 27.5 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 41.3 | 123.1 | 149.1 | -64.4 | -63.3 | 0 | 0 | 0 | 122.8 | ||||
| 396 | S | 23.5 | Very low | 27.7 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | -178.8 | 160.4 | 104.5 | -77.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 397 | L | 30.2 | Very low | 27.7 | Very low | 167 Ų | 167 | 135 Ų | 135 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -87.3 | 172.4 | 167 | -85.8 | 166.8 | 0 | 0 | 0 | 110.2 | ||||
| 398 | P | 36.8 | Very low | 27.7 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | cis | -146.9 | -158.7 | 34.1 | 43.8 | -20.7 | 0 | 0 | 0 | 117.5 | ||||
| 399 | S | 29.8 | Very low | 27.7 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -90.1 | 174.8 | -179.8 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 400 | P | 43.2 | Very low | 27.7 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | -159.4 | 161.1 | 91.4 | 42.4 | -22.6 | 0 | 0 | 0 | 120.1 | |||||
| 401 | L | 26.6 | Very low | 27.8 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | 45 | 160.9 | 137.2 | -67.8 | 171 | 0 | 0 | 0 | 127.7 | ||||
| 402 | D | 25.7 | Very low | 27.8 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | 79.9 | 146.3 | 159.3 | -91.4 | -54.9 | 0 | 0 | 0 | 120.5 | ||||
| 403 | S | 24.9 | Very low | 27.7 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | cis | -153.8 | -168.9 | -0.5 | -146.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 404 | L | 26.7 | Very low | 27.7 | Very low | 158 Ų | 158 | 137 Ų | 137 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | -80.5 | -178 | -176 | -57.3 | 158.7 | 0 | 0 | 0 | 113.6 | ||||
| 405 | D | 27.4 | Very low | 27.6 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | cis | -153.5 | -156.3 | 10 | -157.4 | 26.4 | 0 | 0 | 0 | 109.2 | ||||
| 406 | S | 28.1 | Very low | 27.6 | Very low | 77 Ų | 77 | 138.2 Ų | 138.2 | 54% | 0.538 | 77% | 0.765 | S | S | . | * | cis | -167.7 | 147.4 | 6.7 | -151.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 407 | L | 26.4 | Very low | 27.6 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | 40.4 | 169.5 | 144 | -59.7 | 172.1 | 0 | 0 | 0 | 124.3 | ||||
| 408 | S | 26.9 | Very low | 27.4 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | 178.2 | -177.2 | -50.1 | -84.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 409 | I | 26.5 | Very low | 26.8 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | 82.3 | 138.9 | 162.7 | -62.4 | 169.5 | 0 | 0 | 0 | 117.2 | ||||
| 410 | S | 27 | Very low | 26.9 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | cis | -168.1 | 153 | -15 | 56.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 411 | D | 26.5 | Very low | 26 | Very low | 128 Ų | 128 | 141 Ų | 141 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | trans | 9.3 | 142.1 | 146.8 | -46.7 | -57.2 | 0 | 0 | 0 | 125 | ||||
| 412 | Y | 25.9 | Very low | 26 | Very low | 207 Ų | 207 | 141.2 Ų | 141.2 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | 168.4 | 140.6 | 96.3 | -102.2 | -66.6 | 0 | 0 | 0 | 117.9 | |||||
| 413 | K | 23.1 | Very low | 26 | Very low | 188 Ų | 188 | 140 Ų | 140 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | 58.6 | 161.7 | 155.3 | -85.8 | -177.7 | 168.4 | 179.6 | 0 | 121.3 | ||||
| 414 | T | 25.5 | Very low | 26 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | cis | 175 | 124.8 | -43 | -82.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 415 | D | 22.2 | Very low | 25.8 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | 178.8 | 170.8 | 136 | -100.8 | -31.4 | 0 | 0 | 0 | 113.8 | ||||
| 416 | F | 26.6 | Very low | 25.6 | Very low | 202 Ų | 202 | 143.2 Ų | 143.2 | 89% | 0.886 | 78% | 0.777 | S | S | * | * | trans | -97.8 | 146 | -167 | -87.6 | -109.5 | 0 | 0 | 0 | 115.9 | ||||
| 417 | A | 23.3 | Very low | 25.3 | Very low | 95 Ų | 95 | 146.1 Ų | 146.1 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | -175.9 | 148 | 127.2 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 418 | H | 25.6 | Very low | 25.5 | Very low | 197 Ų | 197 | 147.7 Ų | 147.7 | 91% | 0.912 | 79% | 0.787 | S | S | * | * | trans | -43.2 | 151.1 | -178.9 | -53.2 | -92.1 | 0 | 0 | 0 | 120.8 | ||||
| 419 | G | 24.3 | Very low | 25.4 | Very low | 68 Ų | 68 | 151.1 Ų | 151.1 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 139.3 | 122.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 420 | P | 32.5 | Very low | 25.5 | Very low | 125 Ų | 125 | 152 Ų | 152 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -93.3 | 121.8 | -177.6 | 34 | -31.5 | 0 | 0 | 0 | 113.5 | ||||
| 421 | F | 24.1 | Very low | 25.4 | Very low | 204 Ų | 204 | 153.7 Ų | 153.7 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -143.6 | 139.2 | 162.7 | -101.7 | -87.8 | 0 | 0 | 0 | 110.4 | ||||
| 422 | I | 26.7 | Very low | 25.4 | Very low | 166 Ų | 166 | 156.9 Ų | 156.9 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -109.7 | 114.2 | 176.3 | -61.4 | 175.1 | 0 | 0 | 0 | 108.8 | ||||
| 423 | P | 25.1 | Very low | 25.3 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -82.1 | 145.7 | 168.4 | -8.5 | 26.6 | 0 | 0 | 0 | 111.6 | ||||
| 424 | K | 26.1 | Very low | 25.5 | Very low | 202 Ų | 202 | 150.1 Ų | 150.1 | 88% | 0.878 | 82% | 0.82 | S | S | * | * | trans | -87 | 139 | 162.6 | -66.4 | 177.6 | 178.1 | 177.8 | 0 | 109.8 | ||||
| 425 | L | 22 | Very low | 25.6 | Very low | 168 Ų | 168 | 150.6 Ų | 150.6 | 88% | 0.88 | 83% | 0.825 | S | S | * | * | trans | 166.2 | 109.7 | 147.9 | -91 | 149.4 | 0 | 0 | 0 | 105.8 | ||||
| 426 | S | 22.4 | Very low | 25.8 | Very low | 89 Ų | 89 | 151.7 Ų | 151.7 | 62% | 0.622 | 83% | 0.829 | S | S | * | * | 94.6 | 109.6 | 76.4 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 427 | N | 22.3 | Very low | 26 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | -173 | 135.7 | 124 | -85.5 | -12.8 | 0 | 0 | 0 | 106.6 | |||||
| 428 | K | 31.6 | Very low | 26.1 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 81% | 0.809 | 83% | 0.825 | S | S | * | * | 50.7 | 96.2 | 73.7 | -79.7 | -168.2 | 174.4 | -176.4 | 0 | 112.4 | |||||
| 429 | D | 24.2 | Very low | 26.2 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | -162.6 | 150.3 | 117.8 | -92.4 | -26.1 | 0 | 0 | 0 | 111.3 | |||||
| 430 | Q | 28.1 | Very low | 26.2 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -120.7 | 137 | 174.2 | -83.1 | -175 | -26.7 | 0 | 0 | 109.9 | ||||
| 431 | P | 24.8 | Very low | 26 | Very low | 129 Ų | 129 | 151 Ų | 151 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -84 | 126.9 | 154.8 | -6.9 | 25.7 | 0 | 0 | 0 | 110.3 | ||||
| 432 | M | 26.1 | Very low | 26.1 | Very low | 195 Ų | 195 | 148.9 Ų | 148.9 | 96% | 0.961 | 81% | 0.814 | S | S | * | * | trans | -69.7 | 158.6 | 171.4 | -74.6 | -173.7 | 171.5 | 0 | 0 | 112.3 | ||||
| 433 | G | 25 | Very low | 26 | Very low | 68 Ų | 68 | 148.1 Ų | 148.1 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | 179 | 9.1 | 170 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 434 | M | 27.2 | Very low | 26 | Very low | 185 Ų | 185 | 150 Ų | 150 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -147.9 | 157.3 | 174.4 | -88.7 | -59.4 | 171.6 | 0 | 0 | 113 | ||||
| 435 | P | 27.6 | Very low | 26.2 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -84.5 | 160.4 | -169.7 | 34 | -36.1 | 0 | 0 | 0 | 115.3 | ||||
| 436 | L | 27.1 | Very low | 26.6 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | trans | -70.9 | 147.8 | -177.3 | -66.3 | 155.1 | 0 | 0 | 0 | 113.3 | ||||
| 437 | G | 29.9 | Very low | 27.1 | Very low | 68 Ų | 68 | 143.4 Ų | 143.4 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | 166.3 | 13 | 168.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 438 | M | 25.9 | Very low | 27.8 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -148.4 | 150.6 | 172.2 | -79.2 | -63.3 | 168.7 | 0 | 0 | 112 | ||||
| 439 | P | 27.3 | Very low | 28.2 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -73.1 | 150.4 | 165.9 | -10.5 | 27.4 | 0 | 0 | 0 | 112 | ||||
| 440 | E | 25 | Very low | 29.4 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -76.2 | 127.4 | 168.5 | -67.5 | -165.9 | 133.3 | 0 | 0 | 110.8 | K442 | E440-K442 IonicContact OE2-NZ 3.61Š| ||
| 441 | V | 26.6 | Very low | 30.2 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 87% | 0.867 | 74% | 0.74 | S | S | * | * | trans | -101.3 | 113 | 167.3 | 180 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 442 | K | 26 | Very low | 31.6 | Very low | 158 Ų | 158 | 123.7 Ų | 123.7 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | trans | -89 | 174.3 | 166.2 | -73.2 | 172.7 | -176.9 | 161.8 | 0 | 109.8 | E440 | E440-K442 IonicContact OE2-NZ 3.61Š| ||
| 443 | D | 25.6 | Very low | 33.5 | Very low | 151 Ų | 151 | 115.8 Ų | 115.8 | 81% | 0.807 | 69% | 0.685 | S | S | * | * | trans | 68.5 | 80.7 | 176.4 | -52.3 | -24.1 | 0 | 0 | 0 | 116 | ||||
| 444 | L | 25.5 | Very low | 35.7 | Very low | 156 Ų | 156 | 115.9 Ų | 115.9 | 82% | 0.817 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 131.2 | 157.7 | -83.8 | 160.2 | 0 | 0 | 0 | 109.6 | ||
| 445 | P | 29.7 | Very low | 38.1 | Very low | 117 Ų | 117 | 107.9 Ų | 107.9 | 76% | 0.76 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 159.5 | 179 | 29.6 | -35.3 | 0 | 0 | 0 | 112.6 | ||
| 446 | A | 31.1 | Very low | 40.3 | Very low | 96 Ų | 96 | 104.4 Ų | 104.4 | 79% | 0.793 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 147.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V448 | A446-V448 PolarHBondContact O-N 2.87Š|
| 447 | A | 32.2 | Very low | 42.6 | Very low | 106 Ų | 106 | 103.8 Ų | 103.8 | 88% | 0.876 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 117.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 448 | V | 36.8 | Very low | 44.9 | Very low | 97 Ų | 97 | 103.7 Ų | 103.7 | 59% | 0.588 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 135 | 169.6 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | A446 L450 | A446-V448 PolarHBondContact O-N 2.87Å; V448-L450 PolarHBondContact O-N 2.63Å |
| 449 | D | 41.1 | Very low | 47.7 | Very low | 84 Ų | 84 | 95.4 Ų | 95.4 | 45% | 0.449 | 55% | 0.553 | S | S | . | * | trans | -73 | 89.3 | 176.9 | 179.7 | 9.3 | 0 | 0 | 0 | 111.7 | A451 K452 | D449-A451 PolarHBondContact O-N 2.83Å; D449-A451 VanDerWaalsContact O-N 3.13Å; D449-A451 WeakPolarHBondContact OD1-CB 3.16Å; D449-A451 PolarHBondContact OD1-N 3.5Å; D449-A451 VanDerWaalsContact OD1-N 3.15Å; D449-K452 PolarHBondContact O-N 2.79Å; D449-K452 IonicContact OD2-NZ 2.75Å; D449-K452 PolarHBondContact OD2-NZ 3.04Å | ||
| 450 | L | 47.8 | Very low | 50.5 | Low | 46 Ų | 46 | 93.2 Ų | 93.2 | 24% | 0.241 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -3.6 | -179.1 | -64.3 | 172.9 | 0 | 0 | 0 | 114.3 | V448 K452 F558 L653 | V448-L450 PolarHBondContact O-N 2.63Å; L450-K452 VanDerWaalsContact C-N 3.27Å; L450-F558 HydrophobicContact CD2-CD1 4.17Å; L450-L653 HydrophobicContact CD1-CB 4.26Å; L450-L653 WeakPolarHBondContact CD1-O 3.42Å |
| 451 | A | 45.6 | Very low | 53.4 | Low | 48 Ų | 48 | 86.5 Ų | 86.5 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | D449 M683 | D449-A451 PolarHBondContact O-N 2.83Å; D449-A451 VanDerWaalsContact O-N 3.13Å; D449-A451 WeakPolarHBondContact OD1-CB 3.16Å; D449-A451 PolarHBondContact OD1-N 3.5Å; D449-A451 VanDerWaalsContact OD1-N 3.15Å; A451-M683 HydrophobicContact CB-CE 4.07Å |
| 452 | K | 54.2 | Low | 56 | Low | 115 Ų | 115 | 83.5 Ų | 83.5 | 50% | 0.5 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -108.1 | 142.8 | -180 | -62.6 | -173.1 | 175.3 | 78.9 | 0 | 111.5 | D449 L450 P454 | D449-K452 PolarHBondContact O-N 2.79Å; D449-K452 IonicContact OD2-NZ 2.75Å; D449-K452 PolarHBondContact OD2-NZ 3.04Å; L450-K452 VanDerWaalsContact C-N 3.27Å; K452-P454 WeakPolarHBondContact O-CD 3.39Å |
| 453 | N | 67.3 | Low | 58.7 | Low | 28 Ų | 28 | 79.5 Ų | 79.5 | 15% | 0.15 | 46% | 0.46 | C | S | . | . | trans | -70.4 | 112.8 | 173.6 | 174 | -2.8 | 0 | 0 | 0 | 109.9 | L455 A456 L563 L564 | N453-L455 PolarHBondContact O-N 2.65Å; N453-L455 VanDerWaalsContact O-N 3.14Å; N453-L455 WeakPolarHBondContact OD1-CA 3.35Å; N453-L455 PolarHBondContact OD1-N 2.74Å; N453-A456 HydrophobicContact CB-CB 4.11Å; N453-A456 WeakPolarHBondContact O-CB 3.31Å; N453-A456 PolarHBondContact O-N 2.76Å; N453-L563 WeakPolarHBondContact CB-O 3.48Å; N453-L564 PolarHBondContact ND2-O 2.86Å; N453-L564 VanDerWaalsContact ND2-O 3.09Å | ||
| 454 | P | 69.9 | Low | 61.3 | Low | 70 Ų | 70 | 72.3 Ų | 72.3 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -8.8 | -177.7 | 30.8 | -39.2 | 0 | 0 | 0 | 114.2 | K452 L553 I559 | K452-P454 WeakPolarHBondContact O-CD 3.39Å; P454-L553 HydrophobicContact CG-CD1 3.9Å; P454-I559 HydrophobicContact CG-CD1 4.07Å; P454-I559 HydrophobicContact CG-CG1 4.47Å |
| 455 | L | 78.1 | Confident | 63.7 | Low | 18 Ų | 18 | 65.1 Ų | 65.1 | 9% | 0.094 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 6.4 | 170.5 | -62 | -177.4 | 0 | 0 | 0 | 112.8 | N453 E457 T458 H459 F461 D549 V550 L553 | N453-L455 PolarHBondContact O-N 2.65Å; N453-L455 VanDerWaalsContact O-N 3.14Å; N453-L455 WeakPolarHBondContact OD1-CA 3.35Å; N453-L455 PolarHBondContact OD1-N 2.74Å; L455-E457 PolarHBondContact O-N 3.06Å; L455-T458 PolarHBondContact O-N 2.88Å; L455-T458 PolarHBondContact O-OG1 2.68Å; L455-H459 HydrophobicContact CB-CB 4.11Å; L455-H459 WeakPolarHBondContact O-CB 3.06Å; L455-H459 PolarHBondContact O-N 2.78Å; L455-F461 HydrophobicContact CB-CE2 3.81Å; L455-F461 HydrophobicContact CB-CZ 3.95Å; L455-F461 HydrophobicContact CD1-CE2 4.44Å; L455-F461 HydrophobicContact CD1-CZ 3.78Å; L455-D549 HydrophobicContact CD1-CB 4.19Å; L455-V550 HydrophobicContact CD1-CG2 3.93Å; L455-L553 HydrophobicContact CD1-CD1 3.74Å; L455-L553 HydrophobicContact CD2-CD1 3.72Å; L455-L553 HydrophobicContact CG-CD1 3.46Å; L455-L553 VanDerWaalsContact CG-CD1 3.46Å |
| 456 | A | 73.7 | Confident | 65.9 | Low | 47 Ų | 47 | 63.4 Ų | 63.4 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -30.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N453 K498 | N453-A456 HydrophobicContact CB-CB 4.11Å; N453-A456 WeakPolarHBondContact O-CB 3.31Å; N453-A456 PolarHBondContact O-N 2.76Å; A456-K498 PolarHBondContact O-NZ 2.68Å |
| 457 | E | 74.9 | Confident | 67.9 | Low | 169 Ų | 169 | 63.4 Ų | 63.4 | 79% | 0.79 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -40.2 | 179.4 | -60.8 | -171.7 | 161.5 | 0 | 0 | 112.1 | L455 K498 | L455-E457 PolarHBondContact O-N 3.06Å; E457-K498 VanDerWaalsContact O-CD 3.32Å; E457-K498 WeakPolarHBondContact O-CD 3.49Å |
| 458 | T | 79.8 | Confident | 70.2 | Confident | 65 Ų | 65 | 59 Ų | 59 | 40% | 0.399 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -31.2 | -173 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | L455 K498 | L455-T458 PolarHBondContact O-N 2.88Å; L455-T458 PolarHBondContact O-OG1 2.68Å; T458-K498 PolarHBondContact O-N 2.89Å |
| 459 | H | 84.1 | Confident | 72.4 | Confident | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 163.2 | -172.1 | -71.2 | 75.9 | 0 | 0 | 0 | 113.1 | L455 F461 R496 I497 K498 D549 | L455-H459 HydrophobicContact CB-CB 4.11Å; L455-H459 WeakPolarHBondContact O-CB 3.06Å; L455-H459 PolarHBondContact O-N 2.78Å; H459-F461 HydrophobicContact CB-CD2 4.32Å; H459-F461 HydrophobicContact CB-CE1 4.15Å; H459-F461 HydrophobicContact CB-CE2 3.43Å; H459-F461 VanDerWaalsContact CB-CE2 3.43Å; H459-F461 HydrophobicContact CB-CZ 3.32Å; H459-F461 AromaticContact CD2-CZ 3.96Å; H459-F461 AromaticContact CG-CZ 3.76Å; H459-R496 CarbonylContact C-O 3.55Å; H459-R496 WeakPolarHBondContact CA-O 3.35Å; H459-I497 WeakPolarHBondContact NE2-CG1 3.48Å; H459-K498 WeakPolarHBondContact O-CD 3.44Å; H459-K498 WeakPolarHBondContact O-CE 3.47Å; H459-K498 PolarHBondContact O-NZ 3.03Å; H459-D549 IonicContact CE1-OD2 2.83Å; H459-D549 PolarHBondContact CE1-OD2 3.35Å; H459-D549 VanDerWaalsContact CE1-OD2 3.28Å; H459-D549 IonicContact NE2-OD2 2.86Å |
| 460 | E | 85.2 | Confident | 74.2 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130 | 169.6 | -167.2 | -166.6 | 147.4 | 0 | 0 | 108.3 | G495 R496 K498 W505 | E460-G495 WeakPolarHBondContact O-CA 3.41Å; E460-R496 HydrophobicContact CB-CG 4.04Å; E460-R496 PolarHBondContact N-O 3.48Å; E460-R496 PolarHBondContact O-N 3.2Å; E460-R496 IonicContact OE1-CZ 3.2Å; E460-R496 IonicContact OE1-NE 2.86Å; E460-R496 IonicContact OE1-NH2 3.37Å; E460-R496 PolarHBondContact OE1-NH2 3.43Å; E460-R496 IonicContact OE2-CZ 2.72Å; E460-R496 IonicContact OE2-NE 3.44Å; E460-R496 PolarHBondContact OE2-NE 3.36Å; E460-R496 IonicContact OE2-NH2 2.84Å; E460-R496 PolarHBondContact OE2-NH2 3Å; E460-K498 HydrophobicContact CB-CG 4.1Å; E460-W505 HydrophobicContact CB-CH2 4.33Å; E460-W505 HydrophobicContact CG-CH2 3.85Å; E460-W505 WeakPolarHBondContact O-CZ3 3.25Å; E460-W505 WeakPolarHBondContact OE1-CH2 3.4Å; E460-W505 WeakPolarHBondContact OE1-CZ2 3.31Å |
| 461 | F | 85.9 | Confident | 75.7 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.1 | -176.6 | -58.4 | -76.1 | 0 | 0 | 0 | 111.1 | L455 H459 L493 L494 I508 V550 L564 F565 | L455-F461 HydrophobicContact CB-CE2 3.81Å; L455-F461 HydrophobicContact CB-CZ 3.95Å; L455-F461 HydrophobicContact CD1-CE2 4.44Å; L455-F461 HydrophobicContact CD1-CZ 3.78Å; H459-F461 HydrophobicContact CB-CD2 4.32Å; H459-F461 HydrophobicContact CB-CE1 4.15Å; H459-F461 HydrophobicContact CB-CE2 3.43Å; H459-F461 VanDerWaalsContact CB-CE2 3.43Å; H459-F461 HydrophobicContact CB-CZ 3.32Å; H459-F461 AromaticContact CD2-CZ 3.96Å; H459-F461 AromaticContact CG-CZ 3.76Å; F461-L493 HydrophobicContact CB-CD1 4.29Å; F461-L493 HydrophobicContact CD1-CD1 4.05Å; F461-L494 WeakPolarHBondContact CA-O 3.41Å; F461-I508 HydrophobicContact CD1-CD1 4.11Å; F461-I508 HydrophobicContact CE1-CD1 3.86Å; F461-V550 HydrophobicContact CE1-CG2 3.8Å; F461-V550 HydrophobicContact CZ-CG2 4.05Å; F461-L564 HydrophobicContact CD1-CD2 4.19Å; F461-L564 HydrophobicContact CD2-CB 4.47Å; F461-L564 HydrophobicContact CD2-CD2 3.74Å; F461-L564 HydrophobicContact CE1-CD2 3.93Å; F461-L564 HydrophobicContact CE2-CD2 3.46Å; F461-L564 VanDerWaalsContact CE2-CD2 3.46Å; F461-L564 HydrophobicContact CG-CB 4.44Å; F461-L564 HydrophobicContact CG-CD2 4.1Å; F461-L564 HydrophobicContact CZ-CD2 3.56Å; F461-F565 HydrophobicContact CB-CD1 4.16Å; F461-F565 HydrophobicContact CB-CE1 4.2Å |
| 462 | K | 81.9 | Confident | 77.2 | Confident | 81 Ų | 81 | 57.3 Ų | 57.3 | 35% | 0.352 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 140.6 | -178.5 | -173.5 | 165 | 179 | 176.5 | 0 | 111.1 | L481 L494 W505 | K462-L481 HydrophobicContact CD-CD2 3.84Å; K462-L494 PolarHBondContact N-O 3.3Å; K462-L494 WeakPolarHBondContact O-CB 3.42Å; K462-L494 PolarHBondContact O-N 3.11Å; K462-W505 HydrophobicContact CB-CE3 4.07Å; K462-W505 HydrophobicContact CB-CH2 3.49Å; K462-W505 VanDerWaalsContact CB-CH2 3.49Å; K462-W505 HydrophobicContact CB-CZ2 4.13Å; K462-W505 HydrophobicContact CB-CZ3 3.46Å; K462-W505 VanDerWaalsContact CB-CZ3 3.46Å; K462-W505 HydrophobicContact CD-CH2 4.14Å; K462-W505 HydrophobicContact CD-CZ2 3.94Å; K462-W505 HydrophobicContact CG-CH2 4.47Å |
| 463 | Q | 81.6 | Confident | 78 | Confident | 74 Ų | 74 | 52.9 Ų | 52.9 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 137.8 | 172.3 | -64.3 | 179.3 | -28.2 | 0 | 0 | 110.6 | K490 V492 F565 | Q463-K490 HydrophobicContact CB-CB 3.64Å; Q463-K490 HydrophobicContact CB-CD 4.16Å; Q463-K490 HydrophobicContact CB-CG 3.88Å; Q463-K490 HydrophobicContact CG-CB 4.37Å; Q463-K490 VanDerWaalsContact OE1-CD 3.27Å; Q463-V492 WeakPolarHBondContact CA-O 3.27Å; Q463-F565 HydrophobicContact CB-CE1 4.39Å; Q463-F565 HydrophobicContact CG-CD1 3.65Å; Q463-F565 HydrophobicContact CG-CD2 4.13Å; Q463-F565 HydrophobicContact CG-CE1 3.29Å; Q463-F565 HydrophobicContact CG-CE2 3.81Å; Q463-F565 HydrophobicContact CG-CG 4.03Å; Q463-F565 HydrophobicContact CG-CZ 3.33Å |
| 464 | A | 80.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 179.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | C468 L481 C488 K490 D491 V492 L494 | A464-C468 HydrophobicContact CB-CB 3.89Å; A464-L481 HydrophobicContact CB-CD1 4.02Å; A464-C488 VanDerWaalsContact C-SG 3.58Å; A464-K490 CarbonylContact O-C 3.35Å; A464-K490 WeakPolarHBondContact O-CA 3.46Å; A464-D491 PolarHBondContact O-N 3.26Å; A464-V492 HydrophobicContact CB-CB 4.43Å; A464-V492 PolarHBondContact N-O 3.15Å; A464-V492 WeakPolarHBondContact O-CB 3.41Å; A464-V492 PolarHBondContact O-N 3.34Å; A464-L494 HydrophobicContact CB-CD1 3.51Å; A464-L494 HydrophobicContact CB-CG 3.98Å |
| 465 | C | 77 | Confident | 77.4 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | trans | -128 | 174.3 | 162.6 | 70.9 | 0 | 0 | 0 | 0 | 109.3 | M467 C468 Y469 H486 C488 K489 D491 | C465-M467 PolarHBondContact O-N 3.1Å; C465-M467 PolarHBondContact SG-N 3.27Å; C465-M467 VanDerWaalsContact SG-N 3.41Å; C465-C468 PolarHBondContact O-N 3.35Å; C465-C468 PolarHBondContact SG-N 3.28Å; C465-Y469 PolarHBondContact O-N 3.47Å; C465-H486 PolarHBondContact SG-NE2 3.12Å; C465-H486 VanDerWaalsContact SG-NE2 3.42Å; C465-C488 PolarHBondContact N-SG 2.94Å; C465-K489 HydrophobicContact CB-CB 3.99Å; C465-D491 WeakPolarHBondContact CA-OD1 3.37Å; C465-D491 WeakPolarHBondContact CB-OD1 3.48Å | ||
| 466 | S | 75.3 | Confident | 76.7 | Confident | 81 Ų | 81 | 54 Ų | 54 | 57% | 0.566 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -6.5 | 176.6 | 56.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 467 | M | 73.6 | Confident | 76.5 | Confident | 96 Ų | 96 | 54.8 Ų | 54.8 | 47% | 0.473 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -25.3 | 173.3 | -49.4 | -88.7 | 53.2 | 0 | 0 | 112.1 | C465 | C465-M467 PolarHBondContact O-N 3.1Å; C465-M467 PolarHBondContact SG-N 3.27Å; C465-M467 VanDerWaalsContact SG-N 3.41Å |
| 468 | C | 79.5 | Confident | 76.5 | Confident | 14 Ų | 14 | 49.8 Ų | 49.8 | 10% | 0.095 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -38.5 | 163.9 | -72.6 | 0 | 0 | 0 | 0 | 111.5 | A464 C465 L481 H482 H486 | A464-C468 HydrophobicContact CB-CB 3.89Å; C465-C468 PolarHBondContact O-N 3.35Å; C465-C468 PolarHBondContact SG-N 3.28Å; C468-L481 HydrophobicContact CB-CD1 3.83Å; C468-L481 CarbonylContact O-C 3.05Å; C468-L481 WeakPolarHBondContact O-CA 3.32Å; C468-H482 PolarHBondContact O-N 2.96Å; C468-H486 PolarHBondContact SG-CE1 3.01Å |
| 469 | Y | 84 | Confident | 76.5 | Confident | 12 Ų | 12 | 50 Ų | 50 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 93.2 | -169.4 | -166.8 | -113.4 | 0 | 0 | 0 | 110.1 | C465 Y479 T480 L481 L494 W505 K506 L507 | C465-Y469 PolarHBondContact O-N 3.47Å; Y469-Y479 AromaticContact CD1-CD1 3.48Å; Y469-Y479 HydrophobicContact CD1-CD1 3.48Å; Y469-Y479 VanDerWaalsContact CD1-CD1 3.48Å; Y469-Y479 HydrophobicContact CD1-CE1 4.19Å; Y469-Y479 AromaticContact CD1-CG 3.96Å; Y469-Y479 HydrophobicContact CD1-CG 3.96Å; Y469-Y479 VanDerWaalsContact CE1-CB 3.43Å; Y469-Y479 AromaticContact CE1-CD1 3.52Å; Y469-Y479 HydrophobicContact CE1-CD1 3.52Å; Y469-Y479 HydrophobicContact CE1-CD2 4.27Å; Y469-Y479 HydrophobicContact CE1-CE1 4.3Å; Y469-Y479 AromaticContact CE1-CG 3.51Å; Y469-Y479 HydrophobicContact CE1-CG 3.51Å; Y469-Y479 HydrophobicContact CG-CD1 4.19Å; Y469-Y479 AromaticContact CZ-CG 3.88Å; Y469-T480 WeakPolarHBondContact CA-O 3.37Å; Y469-L481 HydrophobicContact CD2-CB 4.46Å; Y469-L494 HydrophobicContact CD1-CD2 3.8Å; Y469-L494 HydrophobicContact CD2-CD1 3.48Å; Y469-L494 VanDerWaalsContact CD2-CD1 3.48Å; Y469-L494 HydrophobicContact CD2-CD2 3.82Å; Y469-L494 HydrophobicContact CD2-CG 4.32Å; Y469-L494 HydrophobicContact CE1-CD2 3.72Å; Y469-L494 HydrophobicContact CE2-CD1 3.88Å; Y469-L494 HydrophobicContact CE2-CD2 3.74Å; Y469-L494 HydrophobicContact CE2-CG 4.47Å; Y469-L494 HydrophobicContact CG-CD1 3.95Å; Y469-L494 HydrophobicContact CG-CD2 3.83Å; Y469-W505 HydrophobicContact CE2-CB 4.15Å; Y469-W505 VanDerWaalsContact CE2-O 3.23Å; Y469-W505 WeakPolarHBondContact CE2-O 3.45Å; Y469-W505 PolarHBondContact OH-O 3.35Å; Y469-K506 WeakPolarHBondContact OH-CA 3.36Å; Y469-L507 HydrophobicContact CE1-CB 4Å; Y469-L507 PolarHBondContact OH-N 3.42Å |
| 470 | V | 78.9 | Confident | 76.2 | Confident | 56 Ų | 56 | 52.2 Ų | 52.2 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 135.5 | -166.1 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | T472 Y479 T480 | V470-T472 PolarHBondContact O-N 2.73Å; V470-Y479 CarbonylContact O-C 3.45Å; V470-Y479 VanDerWaalsContact O-CA 3.25Å; V470-Y479 WeakPolarHBondContact O-CA 3.43Å; V470-T480 PolarHBondContact N-O 2.91Å; V470-T480 PolarHBondContact O-N 3.26Å |
| 471 | K | 79.6 | Confident | 76 | Confident | 80 Ų | 80 | 50.8 Ų | 50.8 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 123.6 | 176.8 | -170.4 | 170.3 | 176.6 | 172.2 | 0 | 110 | G473 P474 G475 D478 Y479 E532 | K471-G473 WeakPolarHBondContact CE-O 3.39Å; K471-G473 WeakPolarHBondContact CG-O 3.38Å; K471-P474 WeakPolarHBondContact CE-O 3.45Å; K471-P474 PolarHBondContact NZ-O 3.45Å; K471-G475 WeakPolarHBondContact CE-O 3.04Å; K471-D478 CarbonylContact C-O 3.57Å; K471-D478 WeakPolarHBondContact CA-O 3.48Å; K471-Y479 HydrophobicContact CB-CD1 4.04Å; K471-Y479 HydrophobicContact CB-CD2 4.44Å; K471-Y479 HydrophobicContact CB-CE1 3.67Å; K471-Y479 HydrophobicContact CB-CE2 4.09Å; K471-Y479 HydrophobicContact CB-CG 4.4Å; K471-Y479 HydrophobicContact CD-CE2 4.09Å; K471-Y479 HydrophobicContact CG-CD2 4.35Å; K471-Y479 HydrophobicContact CG-CE1 4.42Å; K471-Y479 HydrophobicContact CG-CE2 3.93Å; K471-E532 IonicContact NZ-OE1 2.7Å; K471-E532 PolarHBondContact NZ-OE1 2.89Å |
| 472 | T | 76.3 | Confident | 75.5 | Confident | 91 Ų | 91 | 53.4 Ų | 53.4 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | trans | -113.4 | -13.1 | -175.5 | 43.9 | 0 | 0 | 0 | 0 | 114.6 | V470 D478 T480 | V470-T472 PolarHBondContact O-N 2.73Å; T472-D478 PolarHBondContact N-O 3.48Å; T472-D478 PolarHBondContact OG1-O 3.31Å; T472-T480 HydrophobicContact CG2-CG2 3.95Å; T472-T480 WeakPolarHBondContact CG2-OG1 3.06Å | ||
| 473 | G | 71.8 | Confident | 74.6 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -143.4 | 179.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | K471 D478 | K471-G473 WeakPolarHBondContact CE-O 3.39Å; K471-G473 WeakPolarHBondContact CG-O 3.38Å; G473-D478 VanDerWaalsContact C-OD2 3.28Å; G473-D478 WeakPolarHBondContact CA-OD2 3.25Å; G473-D478 PolarHBondContact N-O 3.26Å |
| 474 | P | 59.5 | Low | 73.4 | Confident | 104 Ų | 104 | 58.2 Ų | 58.2 | 68% | 0.675 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -71.2 | -27.3 | -178.4 | 29.1 | -34.7 | 0 | 0 | 0 | 113.5 | K471 D478 E532 | K471-P474 WeakPolarHBondContact CE-O 3.45Å; K471-P474 PolarHBondContact NZ-O 3.45Å; P474-D478 WeakPolarHBondContact CD-OD2 3.44Å; P474-E532 VanDerWaalsContact O-CG 3.22Å; P474-E532 WeakPolarHBondContact O-CG 3.25Å |
| 475 | G | 64.6 | Low | 72 | Confident | 5 Ų | 5 | 67 Ų | 67 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -66.7 | 157.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K471 L477 D478 | K471-G475 WeakPolarHBondContact CE-O 3.04Å; G475-L477 PolarHBondContact O-N 2.95Å; G475-D478 WeakPolarHBondContact CA-OD2 3.32Å; G475-D478 PolarHBondContact N-OD2 2.91Å; G475-D478 PolarHBondContact O-N 2.88Å |
| 476 | V | 64.6 | Low | 71.6 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 19% | 0.188 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -18.9 | 179.5 | -166.2 | 0 | 0 | 0 | 0 | 112.5 | Y479 V527 E532 C533 Y543 | V476-Y479 WeakPolarHBondContact O-CE2 3.38Å; V476-V527 HydrophobicContact CB-CG1 4.25Å; V476-V527 HydrophobicContact CB-CG2 4.13Å; V476-V527 HydrophobicContact CG2-CG2 3.83Å; V476-E532 HydrophobicContact CG2-CB 4.45Å; V476-C533 HydrophobicContact CG2-CB 4.34Å; V476-Y543 HydrophobicContact CG1-CD2 3.53Å; V476-Y543 HydrophobicContact CG1-CE2 3.45Å; V476-Y543 VanDerWaalsContact CG1-CE2 3.45Å; V476-Y543 HydrophobicContact CG1-CG 4.26Å |
| 477 | L | 69.5 | Low | 71.2 | Confident | 63 Ų | 63 | 74.1 Ų | 74.1 | 33% | 0.33 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -0.6 | 176.8 | -60.9 | 177.1 | 0 | 0 | 0 | 113 | G475 Y479 V527 C544 | G475-L477 PolarHBondContact O-N 2.95Å; L477-Y479 PolarHBondContact O-N 3.2Å; L477-V527 HydrophobicContact CD1-CG1 4.21Å; L477-V527 HydrophobicContact CG-CG1 4.13Å; L477-C544 HydrophobicContact CD2-CB 4.38Å |
| 478 | D | 73.7 | Confident | 71 | Confident | 65 Ų | 65 | 71.3 Ų | 71.3 | 35% | 0.348 | 38% | 0.382 | S | S | . | . | trans | -80.2 | 70.8 | -175.8 | -61.7 | 1 | 0 | 0 | 0 | 110 | K471 T472 G473 P474 G475 | K471-D478 CarbonylContact C-O 3.57Å; K471-D478 WeakPolarHBondContact CA-O 3.48Å; T472-D478 PolarHBondContact N-O 3.48Å; T472-D478 PolarHBondContact OG1-O 3.31Å; G473-D478 VanDerWaalsContact C-OD2 3.28Å; G473-D478 WeakPolarHBondContact CA-OD2 3.25Å; G473-D478 PolarHBondContact N-O 3.26Å; P474-D478 WeakPolarHBondContact CD-OD2 3.44Å; G475-D478 WeakPolarHBondContact CA-OD2 3.32Å; G475-D478 PolarHBondContact N-OD2 2.91Å; G475-D478 PolarHBondContact O-N 2.88Å | ||
| 479 | Y | 79.3 | Confident | 70.4 | Confident | 69 Ų | 69 | 77.2 Ų | 77.2 | 27% | 0.271 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 137.3 | -177.2 | -77.3 | -105.7 | 0 | 0 | 0 | 111.5 | Y469 V470 K471 V476 L477 | Y469-Y479 AromaticContact CD1-CD1 3.48Å; Y469-Y479 HydrophobicContact CD1-CD1 3.48Å; Y469-Y479 VanDerWaalsContact CD1-CD1 3.48Å; Y469-Y479 HydrophobicContact CD1-CE1 4.19Å; Y469-Y479 AromaticContact CD1-CG 3.96Å; Y469-Y479 HydrophobicContact CD1-CG 3.96Å; Y469-Y479 VanDerWaalsContact CE1-CB 3.43Å; Y469-Y479 AromaticContact CE1-CD1 3.52Å; Y469-Y479 HydrophobicContact CE1-CD1 3.52Å; Y469-Y479 HydrophobicContact CE1-CD2 4.27Å; Y469-Y479 HydrophobicContact CE1-CE1 4.3Å; Y469-Y479 AromaticContact CE1-CG 3.51Å; Y469-Y479 HydrophobicContact CE1-CG 3.51Å; Y469-Y479 HydrophobicContact CG-CD1 4.19Å; Y469-Y479 AromaticContact CZ-CG 3.88Å; V470-Y479 CarbonylContact O-C 3.45Å; V470-Y479 VanDerWaalsContact O-CA 3.25Å; V470-Y479 WeakPolarHBondContact O-CA 3.43Å; K471-Y479 HydrophobicContact CB-CD1 4.04Å; K471-Y479 HydrophobicContact CB-CD2 4.44Å; K471-Y479 HydrophobicContact CB-CE1 3.67Å; K471-Y479 HydrophobicContact CB-CE2 4.09Å; K471-Y479 HydrophobicContact CB-CG 4.4Å; K471-Y479 HydrophobicContact CD-CE2 4.09Å; K471-Y479 HydrophobicContact CG-CD2 4.35Å; K471-Y479 HydrophobicContact CG-CE1 4.42Å; K471-Y479 HydrophobicContact CG-CE2 3.93Å; V476-Y479 WeakPolarHBondContact O-CE2 3.38Å; L477-Y479 PolarHBondContact O-N 3.2Å |
| 480 | T | 79.1 | Confident | 70 | Confident | 53 Ų | 53 | 82.6 Ų | 82.6 | 33% | 0.325 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 140.1 | 175.7 | 44.3 | 0 | 0 | 0 | 0 | 111.6 | Y469 V470 T472 H482 | Y469-T480 WeakPolarHBondContact CA-O 3.37Å; V470-T480 PolarHBondContact N-O 2.91Å; V470-T480 PolarHBondContact O-N 3.26Å; T472-T480 HydrophobicContact CG2-CG2 3.95Å; T472-T480 WeakPolarHBondContact CG2-OG1 3.06Å; T480-H482 PolarHBondContact OG1-CD2 3.03Å; T480-H482 PolarHBondContact OG1-NE2 3.44Å |
| 481 | L | 79.4 | Confident | 69.5 | Low | 37 Ų | 37 | 84.4 Ų | 84.4 | 19% | 0.194 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 102.8 | 171.1 | -177.8 | 67.6 | 0 | 0 | 0 | 110.1 | K462 A464 C468 Y469 L494 W505 | K462-L481 HydrophobicContact CD-CD2 3.84Å; A464-L481 HydrophobicContact CB-CD1 4.02Å; C468-L481 HydrophobicContact CB-CD1 3.83Å; C468-L481 CarbonylContact O-C 3.05Å; C468-L481 WeakPolarHBondContact O-CA 3.32Å; Y469-L481 HydrophobicContact CD2-CB 4.46Å; L481-L494 HydrophobicContact CD1-CD1 3.84Å; L481-W505 HydrophobicContact CB-CB 4.4Å; L481-W505 HydrophobicContact CB-CG 4.25Å; L481-W505 HydrophobicContact CD2-CD2 4.19Å; L481-W505 HydrophobicContact CD2-CG 3.91Å |
| 482 | H | 76.9 | Confident | 69.5 | Low | 83 Ų | 83 | 82 Ų | 82 | 38% | 0.384 | 43% | 0.429 | S | S | . | . | trans | -85.5 | 125 | 170.9 | -66.2 | -95.3 | 0 | 0 | 0 | 110.3 | C468 T480 | C468-H482 PolarHBondContact O-N 2.96Å; T480-H482 PolarHBondContact OG1-CD2 3.03Å; T480-H482 PolarHBondContact OG1-NE2 3.44Å | ||
| 483 | T | 63.1 | Low | 69.8 | Low | 111 Ų | 111 | 78.5 Ų | 78.5 | 68% | 0.681 | 41% | 0.407 | S | S | * | . | trans | -103.1 | 70.4 | 174.5 | 53.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 484 | E | 55.4 | Low | 70.5 | Confident | 146 Ų | 146 | 77.4 Ų | 77.4 | 68% | 0.682 | 40% | 0.396 | S | S | * | . | trans | -96.1 | 142.3 | 168.5 | -65.7 | -174.1 | -177.9 | 0 | 0 | 110.5 | H486 | E484-H486 VanDerWaalsContact C-N 3.35Å; E484-H486 PolarHBondContact O-N 2.75Å; E484-H486 PolarHBondContact O-ND1 2.96Å | ||
| 485 | D | 51.9 | Low | 71.8 | Confident | 185 Ų | 185 | 72.5 Ų | 72.5 | 99% | 0.989 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -69.8 | 82 | -174.5 | -73.5 | -46.3 | 0 | 0 | 0 | 113 | ||
| 486 | H | 67.1 | Low | 72.8 | Confident | 61 Ų | 61 | 75 Ų | 75 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -129.3 | 162.4 | 172.1 | 73.3 | -83.9 | 0 | 0 | 0 | 111.8 | C465 C468 E484 C488 | C465-H486 PolarHBondContact SG-NE2 3.12Å; C465-H486 VanDerWaalsContact SG-NE2 3.42Å; C468-H486 PolarHBondContact SG-CE1 3.01Å; E484-H486 VanDerWaalsContact C-N 3.35Å; E484-H486 PolarHBondContact O-N 2.75Å; E484-H486 PolarHBondContact O-ND1 2.96Å; H486-C488 PolarHBondContact O-N 3.34Å |
| 487 | K | 66.4 | Low | 73.9 | Confident | 172 Ų | 172 | 74.8 Ų | 74.8 | 75% | 0.748 | 37% | 0.369 | S | S | * | . | trans | -68.3 | 78.9 | 172.2 | -63.4 | -174.1 | -170 | 176.2 | 0 | 110.3 | E827 | K487-E827 IonicContact NZ-OE1 2.95Å; K487-E827 PolarHBondContact NZ-OE1 3.14Å | ||
| 488 | C | 71.1 | Confident | 74.4 | Confident | 37 Ų | 37 | 76.7 Ų | 76.7 | 25% | 0.25 | 38% | 0.375 | C | S | . | . | trans | -62.4 | 132.7 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | A464 C465 H486 K490 | A464-C488 VanDerWaalsContact C-SG 3.58Å; C465-C488 PolarHBondContact N-SG 2.94Å; H486-C488 PolarHBondContact O-N 3.34Å; C488-K490 VanDerWaalsContact C-N 3.33Å; C488-K490 PolarHBondContact O-N 2.91Å; C488-K490 PolarHBondContact SG-N 3.06Å; C488-K490 VanDerWaalsContact SG-N 3.44Å | ||
| 489 | K | 65.9 | Low | 74.5 | Confident | 138 Ų | 138 | 81.1 Ų | 81.1 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | trans | -72.7 | -20.5 | -179.3 | -73.9 | -177 | 173.4 | -173.6 | 0 | 114.8 | C465 D491 | C465-K489 HydrophobicContact CB-CB 3.99Å; K489-D491 HydrophobicContact CB-CB 4.34Å; K489-D491 WeakPolarHBondContact CB-OD1 3.28Å; K489-D491 VanDerWaalsContact CD-OD2 3.26Å; K489-D491 WeakPolarHBondContact CD-OD2 3.49Å; K489-D491 IonicContact NZ-OD2 3.87Å; K489-D491 PolarHBondContact O-N 3.07Å | ||
| 490 | K | 75.6 | Confident | 74.5 | Confident | 126 Ų | 126 | 81.4 Ų | 81.4 | 55% | 0.548 | 40% | 0.399 | S | S | . | . | trans | 59.2 | 25.5 | -177.2 | -61 | -171.1 | -175.4 | -173.3 | 0 | 114.5 | Q463 A464 C488 V492 | Q463-K490 HydrophobicContact CB-CB 3.64Å; Q463-K490 HydrophobicContact CB-CD 4.16Å; Q463-K490 HydrophobicContact CB-CG 3.88Å; Q463-K490 HydrophobicContact CG-CB 4.37Å; Q463-K490 VanDerWaalsContact OE1-CD 3.27Å; A464-K490 CarbonylContact O-C 3.35Å; A464-K490 WeakPolarHBondContact O-CA 3.46Å; C488-K490 VanDerWaalsContact C-N 3.33Å; C488-K490 PolarHBondContact O-N 2.91Å; C488-K490 PolarHBondContact SG-N 3.06Å; C488-K490 VanDerWaalsContact SG-N 3.44Å; K490-V492 VanDerWaalsContact C-N 3.3Å; K490-V492 PolarHBondContact O-N 2.89Å | ||
| 491 | D | 69.6 | Low | 73.9 | Confident | 94 Ų | 94 | 85 Ų | 85 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | trans | -80.3 | -1.3 | -178.2 | 48.7 | -10.2 | 0 | 0 | 0 | 114.5 | A464 C465 K489 | A464-D491 PolarHBondContact O-N 3.26Å; C465-D491 WeakPolarHBondContact CA-OD1 3.37Å; C465-D491 WeakPolarHBondContact CB-OD1 3.48Å; K489-D491 HydrophobicContact CB-CB 4.34Å; K489-D491 WeakPolarHBondContact CB-OD1 3.28Å; K489-D491 VanDerWaalsContact CD-OD2 3.26Å; K489-D491 WeakPolarHBondContact CD-OD2 3.49Å; K489-D491 IonicContact NZ-OD2 3.87Å; K489-D491 PolarHBondContact O-N 3.07Å | ||
| 492 | V | 78.1 | Confident | 73.5 | Confident | 30 Ų | 30 | 86.3 Ų | 86.3 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 123.8 | -178.3 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | Q463 A464 K490 L494 L507 | Q463-V492 WeakPolarHBondContact CA-O 3.27Å; A464-V492 HydrophobicContact CB-CB 4.43Å; A464-V492 PolarHBondContact N-O 3.15Å; A464-V492 WeakPolarHBondContact O-CB 3.41Å; A464-V492 PolarHBondContact O-N 3.34Å; K490-V492 VanDerWaalsContact C-N 3.3Å; K490-V492 PolarHBondContact O-N 2.89Å; V492-L494 HydrophobicContact CG1-CD2 3.85Å; V492-L494 HydrophobicContact CG1-CG 4.43Å; V492-L507 HydrophobicContact CG1-CD1 3.41Å; V492-L507 VanDerWaalsContact CG1-CD1 3.41Å |
| 493 | L | 83.8 | Confident | 73.3 | Confident | 16 Ų | 16 | 90.2 Ų | 90.2 | 8% | 0.084 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 122.7 | 169.2 | 166 | 63.7 | 0 | 0 | 0 | 110 | F461 I508 L564 F565 | F461-L493 HydrophobicContact CB-CD1 4.29Å; F461-L493 HydrophobicContact CD1-CD1 4.05Å; L493-I508 HydrophobicContact CD2-CB 3.76Å; L493-I508 HydrophobicContact CD2-CD1 4.34Å; L493-I508 HydrophobicContact CD2-CG2 3.68Å; L493-I508 HydrophobicContact CG-CB 3.9Å; L493-I508 HydrophobicContact CG-CD1 4.25Å; L493-I508 HydrophobicContact CG-CG2 4.39Å; L493-I508 PolarHBondContact O-N 2.88Å; L493-I508 VanDerWaalsContact O-N 3.1Å; L493-L564 HydrophobicContact CD1-CD1 4.33Å; L493-L564 HydrophobicContact CD2-CD1 3.84Å; L493-F565 HydrophobicContact CB-CZ 3.95Å; L493-F565 HydrophobicContact CD1-CE1 3.41Å; L493-F565 VanDerWaalsContact CD1-CE1 3.41Å; L493-F565 HydrophobicContact CD1-CE2 4.24Å; L493-F565 HydrophobicContact CD1-CZ 3.23Å; L493-F565 HydrophobicContact CG-CZ 4.07Å |
| 494 | L | 85.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 145.4 | 168.7 | -53.5 | 179.8 | 0 | 0 | 0 | 110.3 | F461 K462 A464 Y469 L481 V492 W505 K506 L507 | F461-L494 WeakPolarHBondContact CA-O 3.41Å; K462-L494 PolarHBondContact N-O 3.3Å; K462-L494 WeakPolarHBondContact O-CB 3.42Å; K462-L494 PolarHBondContact O-N 3.11Å; A464-L494 HydrophobicContact CB-CD1 3.51Å; A464-L494 HydrophobicContact CB-CG 3.98Å; Y469-L494 HydrophobicContact CD1-CD2 3.8Å; Y469-L494 HydrophobicContact CD2-CD1 3.48Å; Y469-L494 VanDerWaalsContact CD2-CD1 3.48Å; Y469-L494 HydrophobicContact CD2-CD2 3.82Å; Y469-L494 HydrophobicContact CD2-CG 4.32Å; Y469-L494 HydrophobicContact CE1-CD2 3.72Å; Y469-L494 HydrophobicContact CE2-CD1 3.88Å; Y469-L494 HydrophobicContact CE2-CD2 3.74Å; Y469-L494 HydrophobicContact CE2-CG 4.47Å; Y469-L494 HydrophobicContact CG-CD1 3.95Å; Y469-L494 HydrophobicContact CG-CD2 3.83Å; L481-L494 HydrophobicContact CD1-CD1 3.84Å; V492-L494 HydrophobicContact CG1-CD2 3.85Å; V492-L494 HydrophobicContact CG1-CG 4.43Å; L494-W505 HydrophobicContact CB-CB 4.28Å; L494-W505 HydrophobicContact CB-CE3 3.84Å; L494-W505 HydrophobicContact CD1-CB 4.01Å; L494-K506 CarbonylContact C-O 3.42Å; L494-K506 VanDerWaalsContact CA-O 3.3Å; L494-K506 WeakPolarHBondContact CA-O 3.48Å; L494-L507 HydrophobicContact CD2-CB 4.49Å |
| 495 | G | 86.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 161.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E460 K506 | E460-G495 WeakPolarHBondContact O-CA 3.41Å; G495-K506 PolarHBondContact N-O 3.02Å; G495-K506 PolarHBondContact O-N 3.46Å |
| 496 | R | 86.9 | Confident | 77.3 | Confident | 57 Ų | 57 | 74.7 Ų | 74.7 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 157.5 | 167.6 | 65.5 | -179.3 | -176.5 | -171.8 | -3.1 | 110.3 | H459 E460 K503 T504 W505 | H459-R496 CarbonylContact C-O 3.55Å; H459-R496 WeakPolarHBondContact CA-O 3.35Å; E460-R496 HydrophobicContact CB-CG 4.04Å; E460-R496 PolarHBondContact N-O 3.48Å; E460-R496 PolarHBondContact O-N 3.2Å; E460-R496 IonicContact OE1-CZ 3.2Å; E460-R496 IonicContact OE1-NE 2.86Å; E460-R496 IonicContact OE1-NH2 3.37Å; E460-R496 PolarHBondContact OE1-NH2 3.43Å; E460-R496 IonicContact OE2-CZ 2.72Å; E460-R496 IonicContact OE2-NE 3.44Å; E460-R496 PolarHBondContact OE2-NE 3.36Å; E460-R496 IonicContact OE2-NH2 2.84Å; E460-R496 PolarHBondContact OE2-NH2 3Å; R496-K503 PolarHBondContact NH1-O 3.43Å; R496-T504 WeakPolarHBondContact CB-O 3.47Å; R496-W505 HydrophobicContact CB-CE3 4.47Å; R496-W505 HydrophobicContact CG-CD2 4.43Å; R496-W505 HydrophobicContact CG-CE3 4.14Å; R496-W505 HydrophobicContact CG-CH2 4.2Å; R496-W505 HydrophobicContact CG-CZ2 4.47Å; R496-W505 HydrophobicContact CG-CZ3 4.01Å; R496-W505 VanDerWaalsContact CZ-CZ2 3.47Å |
| 497 | I | 86.1 | Confident | 78.1 | Confident | 28 Ų | 28 | 74.2 Ų | 74.2 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.8 | 176 | -69 | 157.6 | 0 | 0 | 0 | 109.9 | H459 H499 I500 Q545 E546 | H459-I497 WeakPolarHBondContact NE2-CG1 3.48Å; I497-H499 VanDerWaalsContact C-N 3.35Å; I497-H499 PolarHBondContact O-N 3.2Å; I497-I500 HydrophobicContact CB-CB 4.25Å; I497-I500 HydrophobicContact CB-CD1 3.92Å; I497-I500 HydrophobicContact CB-CG1 4.2Å; I497-I500 HydrophobicContact CD1-CD1 3.74Å; I497-I500 HydrophobicContact CG1-CD1 4.43Å; I497-I500 HydrophobicContact CG2-CB 4.09Å; I497-I500 HydrophobicContact CG2-CD1 3.7Å; I497-I500 HydrophobicContact CG2-CG1 3.68Å; I497-Q545 HydrophobicContact CD1-CB 4.47Å; I497-Q545 HydrophobicContact CD1-CG 4.33Å; I497-E546 HydrophobicContact CD1-CG 4.04Å; I497-E546 HydrophobicContact CG1-CG 3.91Å |
| 498 | K | 80.9 | Confident | 79.1 | Confident | 102 Ų | 102 | 66.1 Ų | 66.1 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -32.8 | -171.9 | -79.2 | 172.3 | 165.2 | 175 | 0 | 114.6 | A456 E457 T458 H459 E460 | A456-K498 PolarHBondContact O-NZ 2.68Å; E457-K498 VanDerWaalsContact O-CD 3.32Å; E457-K498 WeakPolarHBondContact O-CD 3.49Å; T458-K498 PolarHBondContact O-N 2.89Å; H459-K498 WeakPolarHBondContact O-CD 3.44Å; H459-K498 WeakPolarHBondContact O-CE 3.47Å; H459-K498 PolarHBondContact O-NZ 3.03Å; E460-K498 HydrophobicContact CB-CG 4.1Å |
| 499 | H | 75.6 | Confident | 79.8 | Confident | 158 Ų | 158 | 65.4 Ų | 65.4 | 73% | 0.731 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 8.4 | -171.5 | -59.5 | -76.7 | 0 | 0 | 0 | 114 | I497 | I497-H499 VanDerWaalsContact C-N 3.35Å; I497-H499 PolarHBondContact O-N 3.2Å |
| 500 | I | 78.5 | Confident | 80.4 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 39% | 0.39 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -99.6 | 140.3 | 179.1 | -77.6 | -178.2 | 0 | 0 | 0 | 109.8 | I497 D502 | I497-I500 HydrophobicContact CB-CB 4.25Å; I497-I500 HydrophobicContact CB-CD1 3.92Å; I497-I500 HydrophobicContact CB-CG1 4.2Å; I497-I500 HydrophobicContact CD1-CD1 3.74Å; I497-I500 HydrophobicContact CG1-CD1 4.43Å; I497-I500 HydrophobicContact CG2-CB 4.09Å; I497-I500 HydrophobicContact CG2-CD1 3.7Å; I497-I500 HydrophobicContact CG2-CG1 3.68Å; I500-D502 HydrophobicContact CG2-CB 3.82Å; I500-D502 PolarHBondContact O-N 2.83Å |
| 501 | P | 66.6 | Low | 80.5 | Confident | 128 Ų | 128 | 61.4 Ų | 61.4 | 83% | 0.831 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -67.8 | -21.5 | -178.2 | 25.9 | -35.9 | 0 | 0 | 0 | 113.9 | K503 | P501-K503 PolarHBondContact O-N 3.06Š|
| 502 | D | 72.7 | Confident | 80.5 | Confident | 64 Ų | 64 | 58 Ų | 58 | 34% | 0.342 | 29% | 0.294 | S | S | . | . | trans | -72.2 | 106.2 | 169.1 | 167.7 | 26.9 | 0 | 0 | 0 | 110.5 | I500 T504 K506 | I500-D502 HydrophobicContact CG2-CB 3.82Å; I500-D502 PolarHBondContact O-N 2.83Å; D502-T504 VanDerWaalsContact CG-OG1 3.27Å; D502-T504 VanDerWaalsContact OD1-CB 3.25Å; D502-T504 WeakPolarHBondContact OD1-CB 3.4Å; D502-T504 VanDerWaalsContact OD1-CG2 3.25Å; D502-T504 WeakPolarHBondContact OD1-CG2 3.34Å; D502-T504 PolarHBondContact OD1-N 3.05Å; D502-T504 PolarHBondContact OD1-OG1 3.14Å; D502-T504 PolarHBondContact OD2-OG1 2.88Å; D502-K506 VanDerWaalsContact OD2-CE 3.22Å; D502-K506 WeakPolarHBondContact OD2-CE 3.47Å; D502-K506 IonicContact OD2-NZ 3.54Å; D502-K506 PolarHBondContact OD2-NZ 3.49Å | ||
| 503 | K | 72.4 | Confident | 79.6 | Confident | 165 Ų | 165 | 59.9 Ų | 59.9 | 72% | 0.717 | 31% | 0.305 | S | S | * | . | trans | -90.5 | 6.3 | -179.8 | -62.2 | -176.5 | -179.3 | -179.1 | 0 | 113.9 | R496 P501 | R496-K503 PolarHBondContact NH1-O 3.43Å; P501-K503 PolarHBondContact O-N 3.06Å | ||
| 504 | T | 80.8 | Confident | 77.8 | Confident | 69 Ų | 69 | 60.8 Ų | 60.8 | 42% | 0.423 | 31% | 0.308 | S | S | . | . | trans | -63.1 | 143.1 | 179.5 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | R496 D502 K506 | R496-T504 WeakPolarHBondContact CB-O 3.47Å; D502-T504 VanDerWaalsContact CG-OG1 3.27Å; D502-T504 VanDerWaalsContact OD1-CB 3.25Å; D502-T504 WeakPolarHBondContact OD1-CB 3.4Å; D502-T504 VanDerWaalsContact OD1-CG2 3.25Å; D502-T504 WeakPolarHBondContact OD1-CG2 3.34Å; D502-T504 PolarHBondContact OD1-N 3.05Å; D502-T504 PolarHBondContact OD1-OG1 3.14Å; D502-T504 PolarHBondContact OD2-OG1 2.88Å; T504-K506 PolarHBondContact OG1-NZ 3.17Å | ||
| 505 | W | 85 | Confident | 76 | Confident | 26 Ų | 26 | 64.2 Ų | 64.2 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | trans | -86.6 | 131.2 | 171.2 | -72 | 96.2 | 0 | 0 | 0 | 109.1 | E460 K462 Y469 L481 L494 R496 | E460-W505 HydrophobicContact CB-CH2 4.33Å; E460-W505 HydrophobicContact CG-CH2 3.85Å; E460-W505 WeakPolarHBondContact O-CZ3 3.25Å; E460-W505 WeakPolarHBondContact OE1-CH2 3.4Å; E460-W505 WeakPolarHBondContact OE1-CZ2 3.31Å; K462-W505 HydrophobicContact CB-CE3 4.07Å; K462-W505 HydrophobicContact CB-CH2 3.49Å; K462-W505 VanDerWaalsContact CB-CH2 3.49Å; K462-W505 HydrophobicContact CB-CZ2 4.13Å; K462-W505 HydrophobicContact CB-CZ3 3.46Å; K462-W505 VanDerWaalsContact CB-CZ3 3.46Å; K462-W505 HydrophobicContact CD-CH2 4.14Å; K462-W505 HydrophobicContact CD-CZ2 3.94Å; K462-W505 HydrophobicContact CG-CH2 4.47Å; Y469-W505 HydrophobicContact CE2-CB 4.15Å; Y469-W505 VanDerWaalsContact CE2-O 3.23Å; Y469-W505 WeakPolarHBondContact CE2-O 3.45Å; Y469-W505 PolarHBondContact OH-O 3.35Å; L481-W505 HydrophobicContact CB-CB 4.4Å; L481-W505 HydrophobicContact CB-CG 4.25Å; L481-W505 HydrophobicContact CD2-CD2 4.19Å; L481-W505 HydrophobicContact CD2-CG 3.91Å; L494-W505 HydrophobicContact CB-CB 4.28Å; L494-W505 HydrophobicContact CB-CE3 3.84Å; L494-W505 HydrophobicContact CD1-CB 4.01Å; R496-W505 HydrophobicContact CB-CE3 4.47Å; R496-W505 HydrophobicContact CG-CD2 4.43Å; R496-W505 HydrophobicContact CG-CE3 4.14Å; R496-W505 HydrophobicContact CG-CH2 4.2Å; R496-W505 HydrophobicContact CG-CZ2 4.47Å; R496-W505 HydrophobicContact CG-CZ3 4.01Å; R496-W505 VanDerWaalsContact CZ-CZ2 3.47Å | ||
| 506 | K | 87.4 | Confident | 74.3 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 139.2 | -176.5 | -53.7 | -170.2 | -170 | 72.2 | 0 | 111 | Y469 L494 G495 D502 T504 C544 E546 | Y469-K506 WeakPolarHBondContact OH-CA 3.36Å; L494-K506 CarbonylContact C-O 3.42Å; L494-K506 VanDerWaalsContact CA-O 3.3Å; L494-K506 WeakPolarHBondContact CA-O 3.48Å; G495-K506 PolarHBondContact N-O 3.02Å; G495-K506 PolarHBondContact O-N 3.46Å; D502-K506 VanDerWaalsContact OD2-CE 3.22Å; D502-K506 WeakPolarHBondContact OD2-CE 3.47Å; D502-K506 IonicContact OD2-NZ 3.54Å; D502-K506 PolarHBondContact OD2-NZ 3.49Å; T504-K506 PolarHBondContact OG1-NZ 3.17Å; K506-C544 HydrophobicContact CB-CB 4.25Å; K506-C544 HydrophobicContact CD-CB 3.61Å; K506-E546 IonicContact NZ-OE1 3.56Å; K506-E546 PolarHBondContact NZ-OE1 2.84Å; K506-E546 IonicContact NZ-OE2 3.63Å |
| 507 | L | 85.4 | Confident | 73.2 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 128.6 | 177.4 | 174.9 | 63 | 0 | 0 | 0 | 111.5 | Y469 V492 L494 R509 | Y469-L507 HydrophobicContact CE1-CB 4Å; Y469-L507 PolarHBondContact OH-N 3.42Å; V492-L507 HydrophobicContact CG1-CD1 3.41Å; V492-L507 VanDerWaalsContact CG1-CD1 3.41Å; L494-L507 HydrophobicContact CD2-CB 4.49Å; L507-R509 HydrophobicContact CD2-CG 4.16Å; L507-R509 HydrophobicContact CG-CG 4.16Å |
| 508 | I | 87.4 | Confident | 71.9 | Confident | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.015 | 39% | 0.393 | C | S | . | . | trans | -113.3 | 103.5 | 172.2 | -58.9 | 164.5 | 0 | 0 | 0 | 108.4 | F461 L493 E546 E547 V550 R561 | F461-I508 HydrophobicContact CD1-CD1 4.11Å; F461-I508 HydrophobicContact CE1-CD1 3.86Å; L493-I508 HydrophobicContact CD2-CB 3.76Å; L493-I508 HydrophobicContact CD2-CD1 4.34Å; L493-I508 HydrophobicContact CD2-CG2 3.68Å; L493-I508 HydrophobicContact CG-CB 3.9Å; L493-I508 HydrophobicContact CG-CD1 4.25Å; L493-I508 HydrophobicContact CG-CG2 4.39Å; L493-I508 PolarHBondContact O-N 2.88Å; L493-I508 VanDerWaalsContact O-N 3.1Å; I508-E546 HydrophobicContact CD1-CB 4.18Å; I508-E546 WeakPolarHBondContact CD1-O 3.43Å; I508-E546 HydrophobicContact CG1-CB 4.45Å; I508-E547 HydrophobicContact CG1-CB 4.28Å; I508-E547 HydrophobicContact CG2-CB 4.3Å; I508-E547 HydrophobicContact CG2-CG 4.21Å; I508-V550 HydrophobicContact CD1-CG2 4.1Å; I508-V550 HydrophobicContact CG2-CB 4.05Å; I508-V550 HydrophobicContact CG2-CG1 3.96Å; I508-V550 HydrophobicContact CG2-CG2 4.48Å; I508-R561 PolarHBondContact O-NH1 3.46Å | ||
| 509 | R | 84.9 | Confident | 71.3 | Confident | 21 Ų | 21 | 72.6 Ų | 72.6 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 165.9 | -178.6 | -58 | 168.8 | -68.6 | 146.4 | -5.4 | 111.3 | L507 G537 C539 F541 E547 W551 R561 | L507-R509 HydrophobicContact CD2-CG 4.16Å; L507-R509 HydrophobicContact CG-CG 4.16Å; R509-G537 PolarHBondContact NH1-O 3.27Å; R509-C539 PolarHBondContact NH1-O 2.87Å; R509-F541 PolarHBondContact NH2-O 3.39Å; R509-E547 WeakPolarHBondContact CA-OE1 3.3Å; R509-E547 WeakPolarHBondContact CB-OE1 3.43Å; R509-E547 VanDerWaalsContact CG-OE1 3.31Å; R509-E547 WeakPolarHBondContact CG-OE1 3.45Å; R509-E547 IonicContact CZ-OE1 2.9Å; R509-E547 IonicContact CZ-OE2 2.76Å; R509-E547 PolarHBondContact N-OE1 2.95Å; R509-E547 IonicContact NE-OE1 3.8Å; R509-E547 PolarHBondContact NE-OE1 3.28Å; R509-E547 IonicContact NE-OE2 3.42Å; R509-E547 PolarHBondContact NE-OE2 3.27Å; R509-E547 IonicContact NH2-OE1 2.65Å; R509-E547 PolarHBondContact NH2-OE1 3.44Å; R509-E547 IonicContact NH2-OE2 3.42Å; R509-E547 PolarHBondContact NH2-OE2 3Å; R509-W551 HydrophobicContact CB-CZ2 4.41Å; R509-W551 VanDerWaalsContact NH2-CH2 3.32Å; R509-W551 PolarHBondContact O-NE1 3.29Å; R509-R561 VanDerWaalsContact C-NH1 3.28Å; R509-R561 VanDerWaalsContact O-CZ 3.32Å; R509-R561 PolarHBondContact O-NH1 3.24Å; R509-R561 PolarHBondContact O-NH2 3.16Å |
| 510 | P | 78.9 | Confident | 71.1 | Confident | 103 Ų | 103 | 67.9 Ų | 67.9 | 67% | 0.669 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 138.6 | 166.1 | -27.6 | 36.9 | 0 | 0 | 0 | 112.1 | ||
| 511 | R | 77.8 | Confident | 71.2 | Confident | 78 Ų | 78 | 65.2 Ų | 65.2 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 129.6 | 174.8 | -170.8 | -172.4 | 93.2 | -143.3 | 11.3 | 109.9 | T513 Y521 W551 E554 | R511-T513 PolarHBondContact O-N 3.32Å; R511-Y521 VanDerWaalsContact CD-OH 3.31Å; R511-Y521 WeakPolarHBondContact CD-OH 3.37Å; R511-W551 HydrophobicContact CB-CD2 4.39Å; R511-W551 HydrophobicContact CB-CG 4.01Å; R511-W551 WeakPolarHBondContact CD-O 3.46Å; R511-W551 HydrophobicContact CG-CB 4Å; R511-W551 HydrophobicContact CG-CD2 4.19Å; R511-W551 HydrophobicContact CG-CG 3.87Å; R511-E554 WeakPolarHBondContact CB-OE2 2.84Å; R511-E554 PolarHBondContact NH1-O 2.94Å |
| 512 | P | 68.6 | Low | 72.1 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | trans | -58.4 | 113.4 | 173 | -23.2 | 31.9 | 0 | 0 | 0 | 110.7 | T540 W551 | P512-T540 HydrophobicContact CB-CG2 4.29Å; P512-W551 HydrophobicContact CG-CH2 3.65Å; P512-W551 HydrophobicContact CG-CZ2 4.21Å; P512-W551 HydrophobicContact CG-CZ3 3.87Å | ||
| 513 | T | 59.6 | Low | 72.8 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | trans | -90.8 | -9.2 | 178.7 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | R511 T515 R661 | R511-T513 PolarHBondContact O-N 3.32Å; T513-T515 PolarHBondContact O-N 2.96Å; T513-R661 PolarHBondContact O-NH1 2.82Å | ||
| 514 | K | 47.1 | Very low | 73.4 | Confident | 35 Ų | 35 | 58 Ų | 58 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -47 | -66.8 | -174.2 | -41.3 | -162.3 | 70.9 | 130.4 | 0 | 111.1 | R661 N913 C914 W915 Q916 | K514-R661 PolarHBondContact O-NH2 2.75Å; K514-N913 WeakPolarHBondContact CD-O 3.47Å; K514-N913 WeakPolarHBondContact CE-O 3.14Å; K514-N913 WeakPolarHBondContact CG-O 3.32Å; K514-N913 PolarHBondContact NZ-O 2.9Å; K514-C914 WeakPolarHBondContact CB-O 3.39Å; K514-C914 VanDerWaalsContact CE-O 3.31Å; K514-C914 WeakPolarHBondContact CE-O 3.34Å; K514-W915 VanDerWaalsContact CE-C 3.48Å; K514-W915 VanDerWaalsContact CE-O 3.31Å; K514-W915 WeakPolarHBondContact CE-O 3.44Å; K514-W915 PolarHBondContact NZ-O 2.79Å; K514-Q916 HydrophobicContact CD-CG 4.11Å |
| 515 | T | 47.1 | Very low | 73.5 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 44% | 0.442 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -84.1 | 144.9 | 174.5 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | T513 Y517 | T513-T515 PolarHBondContact O-N 2.96Å; T515-Y517 PolarHBondContact O-N 3.01Å |
| 516 | Q | 51.4 | Low | 73.3 | Confident | 130 Ų | 130 | 62.5 Ų | 62.5 | 61% | 0.607 | 32% | 0.319 | S | S | * | . | trans | -76.3 | 60.2 | 169 | -63.8 | -173.6 | 4.3 | 0 | 0 | 110.2 | V518 Y662 | Q516-V518 WeakPolarHBondContact O-CG2 3.31Å; Q516-V518 PolarHBondContact O-N 3.4Å; Q516-Y662 PolarHBondContact NE2-OH 2.79Å | ||
| 517 | Y | 62.4 | Low | 73 | Confident | 93 Ų | 93 | 62.1 Ų | 62.1 | 37% | 0.365 | 32% | 0.318 | S | S | . | . | trans | -72.7 | 119 | -169.8 | -171.6 | -112.6 | 0 | 0 | 0 | 112.2 | T515 G519 P520 Y521 R555 | T515-Y517 PolarHBondContact O-N 3.01Å; Y517-G519 VanDerWaalsContact CE1-O 3.24Å; Y517-G519 WeakPolarHBondContact CE1-O 3.35Å; Y517-P520 WeakPolarHBondContact CE1-O 3.37Å; Y517-P520 PolarHBondContact OH-O 2.93Å; Y517-Y521 HydrophobicContact CD1-CD1 4.13Å; Y517-Y521 AromaticContact CD1-CE1 3.71Å; Y517-Y521 HydrophobicContact CD1-CE1 3.71Å; Y517-Y521 HydrophobicContact CE1-CD1 4.25Å; Y517-Y521 HydrophobicContact CE1-CE1 4.29Å; Y517-R555 WeakPolarHBondContact O-CD 3.43Å | ||
| 518 | V | 60.6 | Low | 72.8 | Confident | 120 Ų | 120 | 62.6 Ų | 62.6 | 73% | 0.727 | 33% | 0.33 | S | S | * | . | trans | -101.1 | -5.6 | -178.3 | -158 | 0 | 0 | 0 | 0 | 112.6 | Q516 R555 | Q516-V518 WeakPolarHBondContact O-CG2 3.31Å; Q516-V518 PolarHBondContact O-N 3.4Å; V518-R555 PolarHBondContact O-NH1 3.32Å | ||
| 519 | G | 66.4 | Low | 72.4 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 21% | 0.206 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -85.2 | -176.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y517 R555 | Y517-G519 VanDerWaalsContact CE1-O 3.24Å; Y517-G519 WeakPolarHBondContact CE1-O 3.35Å; G519-R555 PolarHBondContact O-NE 2.85Å; G519-R555 VanDerWaalsContact O-NE 3.1Å; G519-R555 PolarHBondContact O-NH2 2.9Å; G519-R555 VanDerWaalsContact O-NH2 3.12Å |
| 520 | P | 71.4 | Confident | 71.8 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 38% | 0.383 | 38% | 0.382 | S | S | . | . | trans | -78.6 | 141.7 | 173.5 | 33 | -34.3 | 0 | 0 | 0 | 112 | Y517 Y522 | Y517-P520 WeakPolarHBondContact CE1-O 3.37Å; Y517-P520 PolarHBondContact OH-O 2.93Å; P520-Y522 HydrophobicContact CG-CE2 3.94Å; P520-Y522 WeakPolarHBondContact CG-OH 3.17Å; P520-Y522 WeakPolarHBondContact O-CD2 3.39Å; P520-Y522 WeakPolarHBondContact O-CE2 3.47Å | ||
| 521 | Y | 82.3 | Confident | 71.6 | Confident | 19 Ų | 19 | 69.8 Ų | 69.8 | 8% | 0.075 | 38% | 0.375 | C | S | . | . | trans | -78.5 | 145.6 | 175.1 | -64 | -74.8 | 0 | 0 | 0 | 111.3 | R511 Y517 W551 R555 | R511-Y521 VanDerWaalsContact CD-OH 3.31Å; R511-Y521 WeakPolarHBondContact CD-OH 3.37Å; Y517-Y521 HydrophobicContact CD1-CD1 4.13Å; Y517-Y521 AromaticContact CD1-CE1 3.71Å; Y517-Y521 HydrophobicContact CD1-CE1 3.71Å; Y517-Y521 HydrophobicContact CE1-CD1 4.25Å; Y517-Y521 HydrophobicContact CE1-CE1 4.29Å; Y521-W551 AromaticContact CD1-CE3 3.63Å; Y521-W551 HydrophobicContact CD1-CE3 3.63Å; Y521-W551 HydrophobicContact CD1-CZ3 4.18Å; Y521-W551 HydrophobicContact CD2-CB 3.68Å; Y521-W551 HydrophobicContact CD2-CE3 4.45Å; Y521-W551 AromaticContact CE1-CE3 3.95Å; Y521-W551 HydrophobicContact CE1-CE3 3.95Å; Y521-W551 HydrophobicContact CE2-CB 3.7Å; Y521-W551 WeakPolarHBondContact CE2-O 3.26Å; Y521-W551 HydrophobicContact CG-CB 4.25Å; Y521-W551 AromaticContact CG-CE3 3.91Å; Y521-W551 HydrophobicContact CG-CE3 3.91Å; Y521-R555 HydrophobicContact CE2-CB 4.05Å | ||
| 522 | Y | 84.9 | Confident | 71.6 | Confident | 128 Ų | 128 | 71.5 Ų | 71.5 | 50% | 0.502 | 39% | 0.387 | S | S | . | . | trans | -123.6 | 155.8 | 179.6 | -61.4 | -83.7 | 0 | 0 | 0 | 111 | P520 F541 A542 | P520-Y522 HydrophobicContact CG-CE2 3.94Å; P520-Y522 WeakPolarHBondContact CG-OH 3.17Å; P520-Y522 WeakPolarHBondContact O-CD2 3.39Å; P520-Y522 WeakPolarHBondContact O-CE2 3.47Å; Y522-F541 WeakPolarHBondContact O-CB 3.37Å; Y522-A542 PolarHBondContact O-N 2.79Å | ||
| 523 | I | 86.8 | Confident | 72.1 | Confident | 69 Ų | 69 | 71 Ų | 71 | 35% | 0.354 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -73.1 | 139.3 | 175.8 | -54.3 | -177.4 | 0 | 0 | 0 | 110.3 | K525 A528 A542 I548 | I523-K525 PolarHBondContact O-N 3.47Å; I523-A528 HydrophobicContact CG2-CB 4.13Å; I523-A542 CarbonylContact C-O 3.58Å; I523-A542 WeakPolarHBondContact CA-O 3.2Å; I523-I548 HydrophobicContact CD1-CD1 4.46Å; I523-I548 HydrophobicContact CG1-CD1 3.57Å |
| 524 | C | 86.3 | Confident | 72.8 | Confident | 9 Ų | 9 | 74 Ų | 74 | 6% | 0.061 | 40% | 0.396 | C | S | . | . | trans | -61.2 | 120.6 | 178.4 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | E526 V527 A528 C533 C539 F541 A542 Y543 | C524-E526 VanDerWaalsContact C-N 3.32Å; C524-E526 PolarHBondContact O-N 3.13Å; C524-E526 VanDerWaalsContact O-N 3.17Å; C524-V527 HydrophobicContact CB-CB 4.2Å; C524-V527 HydrophobicContact CB-CG2 4.02Å; C524-V527 PolarHBondContact O-N 3.43Å; C524-A528 PolarHBondContact O-N 3.12Å; C524-C533 PolarHBondContact SG-SG 2.84Å; C524-C539 VanDerWaalsContact SG-SG 3.62Å; C524-F541 HydrophobicContact CB-CB 3.8Å; C524-A542 WeakPolarHBondContact CB-O 3.46Å; C524-A542 PolarHBondContact N-O 3.3Å; C524-Y543 HydrophobicContact CB-CD1 3.95Å; C524-Y543 HydrophobicContact CB-CE1 4.17Å | ||
| 525 | K | 81.7 | Confident | 73.8 | Confident | 151 Ų | 151 | 80 Ų | 80 | 66% | 0.657 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -48.7 | -45.2 | -175.3 | 178.2 | 176 | 162.5 | -84.9 | 0 | 114.4 | I523 V529 | I523-K525 PolarHBondContact O-N 3.47Å; K525-V529 WeakPolarHBondContact O-CG2 3.46Å; K525-V529 PolarHBondContact O-N 3.23Å |
| 526 | E | 80.4 | Confident | 74.6 | Confident | 39 Ų | 39 | 81 Ų | 81 | 18% | 0.182 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -73 | -36.4 | -178 | -55.7 | -50.6 | 124 | 0 | 0 | 112.3 | C524 V529 G530 K531 L534 | C524-E526 VanDerWaalsContact C-N 3.32Å; C524-E526 PolarHBondContact O-N 3.13Å; C524-E526 VanDerWaalsContact O-N 3.17Å; E526-V529 CarbonylContact O-C 3.52Å; E526-V529 PolarHBondContact O-N 3.41Å; E526-V529 VanDerWaalsContact O-N 3.14Å; E526-G530 PolarHBondContact O-N 3.36Å; E526-K531 HydrophobicContact CB-CB 4.31Å; E526-K531 WeakPolarHBondContact O-CB 3.48Å; E526-K531 PolarHBondContact O-N 3.43Å; E526-L534 HydrophobicContact CG-CD1 4.45Å; E526-L534 HydrophobicContact CG-CG 4.49Å |
| 527 | V | 81.9 | Confident | 75 | Confident | 12 Ų | 12 | 77.4 Ų | 77.4 | 7% | 0.073 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.7 | -39 | 175.2 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | V476 L477 C524 V529 G530 C533 Y543 | V476-V527 HydrophobicContact CB-CG1 4.25Å; V476-V527 HydrophobicContact CB-CG2 4.13Å; V476-V527 HydrophobicContact CG2-CG2 3.83Å; L477-V527 HydrophobicContact CD1-CG1 4.21Å; L477-V527 HydrophobicContact CG-CG1 4.13Å; C524-V527 HydrophobicContact CB-CB 4.2Å; C524-V527 HydrophobicContact CB-CG2 4.02Å; C524-V527 PolarHBondContact O-N 3.43Å; V527-V529 PolarHBondContact O-N 3.46Å; V527-G530 PolarHBondContact O-N 3.14Å; V527-C533 HydrophobicContact CG2-CB 3.85Å; V527-Y543 HydrophobicContact CB-CD1 4.49Å; V527-Y543 HydrophobicContact CG2-CD1 3.78Å; V527-Y543 HydrophobicContact CG2-CE1 4.01Å; V527-Y543 HydrophobicContact CG2-CG 4.33Å |
| 528 | A | 81 | Confident | 74.9 | Confident | 62 Ų | 62 | 79.3 Ų | 79.3 | 51% | 0.512 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.6 | -18.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I523 C524 | I523-A528 HydrophobicContact CG2-CB 4.13Å; C524-A528 PolarHBondContact O-N 3.12Å |
| 529 | V | 79.4 | Confident | 75.8 | Confident | 98 Ų | 98 | 73.9 Ų | 73.9 | 59% | 0.594 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 4.1 | 174.6 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | K525 E526 V527 K531 | K525-V529 WeakPolarHBondContact O-CG2 3.46Å; K525-V529 PolarHBondContact O-N 3.23Å; E526-V529 CarbonylContact O-C 3.52Å; E526-V529 PolarHBondContact O-N 3.41Å; E526-V529 VanDerWaalsContact O-N 3.14Å; V527-V529 PolarHBondContact O-N 3.46Å; V529-K531 VanDerWaalsContact C-N 3.34Å; V529-K531 HydrophobicContact CG1-CD 4.47Å; V529-K531 HydrophobicContact CG1-CG 4.42Å |
| 530 | G | 72.1 | Confident | 76.3 | Confident | 58 Ų | 58 | 75.4 Ų | 75.4 | 60% | 0.598 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 15.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E526 V527 | E526-G530 PolarHBondContact O-N 3.36Å; V527-G530 PolarHBondContact O-N 3.14Å |
| 531 | K | 73.6 | Confident | 76.9 | Confident | 121 Ų | 121 | 77.3 Ų | 77.3 | 53% | 0.526 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -96.3 | 162.8 | 175.9 | -63.9 | -177.7 | 179.1 | -178.7 | 0 | 111.4 | E526 V529 | E526-K531 HydrophobicContact CB-CB 4.31Å; E526-K531 WeakPolarHBondContact O-CB 3.48Å; E526-K531 PolarHBondContact O-N 3.43Å; V529-K531 VanDerWaalsContact C-N 3.34Å; V529-K531 HydrophobicContact CG1-CD 4.47Å; V529-K531 HydrophobicContact CG1-CG 4.42Å |
| 532 | E | 78.1 | Confident | 77.1 | Confident | 115 Ų | 115 | 76.4 Ų | 76.4 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 143.2 | 166.4 | -67.3 | -161.5 | 125.4 | 0 | 0 | 111.2 | K471 P474 V476 | K471-E532 IonicContact NZ-OE1 2.7Å; K471-E532 PolarHBondContact NZ-OE1 2.89Å; P474-E532 VanDerWaalsContact O-CG 3.22Å; P474-E532 WeakPolarHBondContact O-CG 3.25Å; V476-E532 HydrophobicContact CG2-CB 4.45Å |
| 533 | C | 79.6 | Confident | 77.1 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 7% | 0.074 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 130.6 | 176.3 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | V476 C524 V527 Y535 P536 C539 Y543 | V476-C533 HydrophobicContact CG2-CB 4.34Å; C524-C533 PolarHBondContact SG-SG 2.84Å; V527-C533 HydrophobicContact CG2-CB 3.85Å; C533-Y535 PolarHBondContact O-N 3.04Å; C533-Y535 VanDerWaalsContact O-N 3.14Å; C533-Y535 PolarHBondContact SG-N 2.69Å; C533-P536 WeakPolarHBondContact O-CD 3.37Å; C533-C539 VanDerWaalsContact SG-CB 3.6Å; C533-Y543 HydrophobicContact CB-CE1 4.01Å |
| 534 | L | 74 | Confident | 77.1 | Confident | 133 Ų | 133 | 67.9 Ų | 67.9 | 70% | 0.696 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -63.9 | -14.7 | 175.6 | -61.7 | 173.6 | 0 | 0 | 0 | 113.7 | E526 | E526-L534 HydrophobicContact CG-CD1 4.45Å; E526-L534 HydrophobicContact CG-CG 4.49Å |
| 535 | Y | 68.4 | Low | 77.1 | Confident | 162 Ų | 162 | 71.3 Ų | 71.3 | 64% | 0.635 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -126.6 | 64.2 | 179 | -57.5 | -76.7 | 0 | 0 | 0 | 110.4 | C533 G537 H538 C539 | C533-Y535 PolarHBondContact O-N 3.04Å; C533-Y535 VanDerWaalsContact O-N 3.14Å; C533-Y535 PolarHBondContact SG-N 2.69Å; Y535-G537 PolarHBondContact O-N 2.74Å; Y535-H538 PolarHBondContact O-N 2.93Å; Y535-C539 WeakPolarHBondContact O-CB 3.24Å; Y535-C539 PolarHBondContact O-N 3.39Å |
| 536 | P | 63.5 | Low | 77.5 | Confident | 92 Ų | 92 | 64.5 Ų | 64.5 | 60% | 0.597 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 139.3 | -176 | 28.4 | -34 | 0 | 0 | 0 | 110.6 | C533 H538 | C533-P536 WeakPolarHBondContact O-CD 3.37Å; P536-H538 PolarHBondContact O-CD2 3.26Å; P536-H538 PolarHBondContact O-N 2.76Å |
| 537 | G | 59.3 | Low | 77.9 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 56% | 0.557 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | -49 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R509 Y535 | R509-G537 PolarHBondContact NH1-O 3.27Å; Y535-G537 PolarHBondContact O-N 2.74Å |
| 538 | H | 61.9 | Low | 78.1 | Confident | 133 Ų | 133 | 62.9 Ų | 62.9 | 62% | 0.616 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -4.9 | -168.9 | -57.7 | -67.7 | 0 | 0 | 0 | 115.7 | Y535 P536 T540 | Y535-H538 PolarHBondContact O-N 2.93Å; P536-H538 PolarHBondContact O-CD2 3.26Å; P536-H538 PolarHBondContact O-N 2.76Å; H538-T540 PolarHBondContact O-N 3.42Å |
| 539 | C | 78.6 | Confident | 78.3 | Confident | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | trans | -58.4 | 124.6 | 178.9 | -168.3 | 0 | 0 | 0 | 0 | 112 | R509 C524 C533 Y535 F541 Y543 | R509-C539 PolarHBondContact NH1-O 2.87Å; C524-C539 VanDerWaalsContact SG-SG 3.62Å; C533-C539 VanDerWaalsContact SG-CB 3.6Å; Y535-C539 WeakPolarHBondContact O-CB 3.24Å; Y535-C539 PolarHBondContact O-N 3.39Å; C539-F541 PolarHBondContact O-N 3.19Å; C539-Y543 HydrophobicContact CB-CE1 3.85Å | ||
| 540 | T | 76.5 | Confident | 78.5 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -74.4 | -10.6 | 178.7 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | P512 H538 | P512-T540 HydrophobicContact CB-CG2 4.29Å; H538-T540 PolarHBondContact O-N 3.42Å |
| 541 | F | 84.1 | Confident | 79.1 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 43% | 0.434 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -93.1 | 148.6 | 171.9 | -61.1 | -89.7 | 0 | 0 | 0 | 110.2 | R509 Y522 C524 C539 | R509-F541 PolarHBondContact NH2-O 3.39Å; Y522-F541 WeakPolarHBondContact O-CB 3.37Å; C524-F541 HydrophobicContact CB-CB 3.8Å; C539-F541 PolarHBondContact O-N 3.19Å |
| 542 | A | 85.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 163 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y522 I523 C524 E547 I548 W551 | Y522-A542 PolarHBondContact O-N 2.79Å; I523-A542 CarbonylContact C-O 3.58Å; I523-A542 WeakPolarHBondContact CA-O 3.2Å; C524-A542 WeakPolarHBondContact CB-O 3.46Å; C524-A542 PolarHBondContact N-O 3.3Å; A542-E547 WeakPolarHBondContact CA-OE2 3.35Å; A542-E547 HydrophobicContact CB-CB 4.2Å; A542-E547 HydrophobicContact CB-CG 4.05Å; A542-I548 HydrophobicContact CB-CD1 4.23Å; A542-I548 HydrophobicContact CB-CG1 3.43Å; A542-I548 VanDerWaalsContact CB-CG1 3.43Å; A542-W551 HydrophobicContact CB-CE3 4.38Å; A542-W551 HydrophobicContact CB-CZ3 4.17Å |
| 543 | Y | 86.5 | Confident | 79.3 | Confident | 13 Ų | 13 | 46 Ų | 46 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -102.9 | -22.5 | 176.2 | -65 | -14.8 | 0 | 0 | 0 | 112.3 | V476 C524 V527 C533 C539 E547 | V476-Y543 HydrophobicContact CG1-CD2 3.53Å; V476-Y543 HydrophobicContact CG1-CE2 3.45Å; V476-Y543 VanDerWaalsContact CG1-CE2 3.45Å; V476-Y543 HydrophobicContact CG1-CG 4.26Å; C524-Y543 HydrophobicContact CB-CD1 3.95Å; C524-Y543 HydrophobicContact CB-CE1 4.17Å; V527-Y543 HydrophobicContact CB-CD1 4.49Å; V527-Y543 HydrophobicContact CG2-CD1 3.78Å; V527-Y543 HydrophobicContact CG2-CE1 4.01Å; V527-Y543 HydrophobicContact CG2-CG 4.33Å; C533-Y543 HydrophobicContact CB-CE1 4.01Å; C539-Y543 HydrophobicContact CB-CE1 3.85Å; Y543-E547 PolarHBondContact N-OE2 3.01Å |
| 544 | C | 87 | Confident | 79.1 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -144.7 | 172.9 | 177.2 | 62.2 | 0 | 0 | 0 | 0 | 111.8 | L477 K506 E546 E547 I548 | L477-C544 HydrophobicContact CD2-CB 4.38Å; K506-C544 HydrophobicContact CB-CB 4.25Å; K506-C544 HydrophobicContact CD-CB 3.61Å; C544-E546 WeakPolarHBondContact CB-OE2 3.5Å; C544-E547 PolarHBondContact O-N 2.75Å; C544-E547 PolarHBondContact SG-N 2.81Å; C544-I548 PolarHBondContact O-N 3.3Å |
| 545 | Q | 86.5 | Confident | 79.1 | Confident | 81 Ų | 81 | 42.8 Ų | 42.8 | 38% | 0.379 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.9 | -39 | 178.7 | -175.1 | 61.4 | 42.6 | 0 | 0 | 111.2 | I497 E547 I548 D549 | I497-Q545 HydrophobicContact CD1-CB 4.47Å; I497-Q545 HydrophobicContact CD1-CG 4.33Å; Q545-E547 PolarHBondContact O-N 2.86Å; Q545-E547 VanDerWaalsContact O-N 3.16Å; Q545-I548 WeakPolarHBondContact O-CA 3.35Å; Q545-I548 WeakPolarHBondContact O-CB 3.47Å; Q545-I548 PolarHBondContact O-N 2.78Å; Q545-D549 PolarHBondContact NE2-OD1 3.29Å; Q545-D549 PolarHBondContact O-N 3.48Å |
| 546 | E | 89.4 | Confident | 78.9 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -26.7 | 178.9 | -58.2 | 93.8 | 143.5 | 0 | 0 | 112.1 | I497 K506 I508 C544 V550 | I497-E546 HydrophobicContact CD1-CG 4.04Å; I497-E546 HydrophobicContact CG1-CG 3.91Å; K506-E546 IonicContact NZ-OE1 3.56Å; K506-E546 PolarHBondContact NZ-OE1 2.84Å; K506-E546 IonicContact NZ-OE2 3.63Å; I508-E546 HydrophobicContact CD1-CB 4.18Å; I508-E546 WeakPolarHBondContact CD1-O 3.43Å; I508-E546 HydrophobicContact CG1-CB 4.45Å; C544-E546 WeakPolarHBondContact CB-OE2 3.5Å; E546-V550 WeakPolarHBondContact O-CG2 3.31Å |
| 547 | E | 88.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -80.4 | -36.2 | 172 | -176.7 | 172.4 | -119.5 | 0 | 0 | 112.4 | I508 R509 A542 Y543 C544 Q545 W551 | I508-E547 HydrophobicContact CG1-CB 4.28Å; I508-E547 HydrophobicContact CG2-CB 4.3Å; I508-E547 HydrophobicContact CG2-CG 4.21Å; R509-E547 WeakPolarHBondContact CA-OE1 3.3Å; R509-E547 WeakPolarHBondContact CB-OE1 3.43Å; R509-E547 VanDerWaalsContact CG-OE1 3.31Å; R509-E547 WeakPolarHBondContact CG-OE1 3.45Å; R509-E547 IonicContact CZ-OE1 2.9Å; R509-E547 IonicContact CZ-OE2 2.76Å; R509-E547 PolarHBondContact N-OE1 2.95Å; R509-E547 IonicContact NE-OE1 3.8Å; R509-E547 PolarHBondContact NE-OE1 3.28Å; R509-E547 IonicContact NE-OE2 3.42Å; R509-E547 PolarHBondContact NE-OE2 3.27Å; R509-E547 IonicContact NH2-OE1 2.65Å; R509-E547 PolarHBondContact NH2-OE1 3.44Å; R509-E547 IonicContact NH2-OE2 3.42Å; R509-E547 PolarHBondContact NH2-OE2 3Å; A542-E547 WeakPolarHBondContact CA-OE2 3.35Å; A542-E547 HydrophobicContact CB-CB 4.2Å; A542-E547 HydrophobicContact CB-CG 4.05Å; Y543-E547 PolarHBondContact N-OE2 3.01Å; C544-E547 PolarHBondContact O-N 2.75Å; C544-E547 PolarHBondContact SG-N 2.81Å; Q545-E547 PolarHBondContact O-N 2.86Å; Q545-E547 VanDerWaalsContact O-N 3.16Å; E547-W551 VanDerWaalsContact CD-CZ2 3.45Å; E547-W551 HydrophobicContact CG-CD2 3.95Å; E547-W551 VanDerWaalsContact CG-CE2 3.4Å; E547-W551 HydrophobicContact CG-CG 4.33Å; E547-W551 HydrophobicContact CG-CH2 4.38Å; E547-W551 HydrophobicContact CG-CZ2 3.65Å; E547-W551 VanDerWaalsContact O-CB 3.24Å; E547-W551 WeakPolarHBondContact O-CB 3.28Å; E547-W551 PolarHBondContact O-N 3.23Å; E547-W551 WeakPolarHBondContact OE1-CZ2 3.45Å |
| 548 | I | 86.6 | Confident | 78.4 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.082 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 172.9 | -69.9 | 174.1 | 0 | 0 | 0 | 111.1 | I523 A542 C544 Q545 W551 T552 | I523-I548 HydrophobicContact CD1-CD1 4.46Å; I523-I548 HydrophobicContact CG1-CD1 3.57Å; A542-I548 HydrophobicContact CB-CD1 4.23Å; A542-I548 HydrophobicContact CB-CG1 3.43Å; A542-I548 VanDerWaalsContact CB-CG1 3.43Å; C544-I548 PolarHBondContact O-N 3.3Å; Q545-I548 WeakPolarHBondContact O-CA 3.35Å; Q545-I548 WeakPolarHBondContact O-CB 3.47Å; Q545-I548 PolarHBondContact O-N 2.78Å; I548-W551 PolarHBondContact O-N 2.73Å; I548-T552 WeakPolarHBondContact O-CB 3.17Å; I548-T552 PolarHBondContact O-N 3.45Å; I548-T552 PolarHBondContact O-OG1 3.04Å |
| 549 | D | 85.4 | Confident | 78.4 | Confident | 44 Ų | 44 | 33 Ų | 33 | 24% | 0.235 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.9 | -44.5 | -172.7 | -64.8 | -17.4 | 0 | 0 | 0 | 110.7 | L455 H459 Q545 T552 L553 | L455-D549 HydrophobicContact CD1-CB 4.19Å; H459-D549 IonicContact CE1-OD2 2.83Å; H459-D549 PolarHBondContact CE1-OD2 3.35Å; H459-D549 VanDerWaalsContact CE1-OD2 3.28Å; H459-D549 IonicContact NE2-OD2 2.86Å; Q545-D549 PolarHBondContact NE2-OD1 3.29Å; Q545-D549 PolarHBondContact O-N 3.48Å; D549-T552 PolarHBondContact O-N 3.48Å; D549-L553 WeakPolarHBondContact O-CG 3.21Å; D549-L553 PolarHBondContact O-N 3.07Å; D549-L553 VanDerWaalsContact O-N 3.12Å |
| 550 | V | 82.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -50.3 | 172.5 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | L455 F461 I508 E546 T552 L553 E554 L564 | L455-V550 HydrophobicContact CD1-CG2 3.93Å; F461-V550 HydrophobicContact CE1-CG2 3.8Å; F461-V550 HydrophobicContact CZ-CG2 4.05Å; I508-V550 HydrophobicContact CD1-CG2 4.1Å; I508-V550 HydrophobicContact CG2-CB 4.05Å; I508-V550 HydrophobicContact CG2-CG1 3.96Å; I508-V550 HydrophobicContact CG2-CG2 4.48Å; E546-V550 WeakPolarHBondContact O-CG2 3.31Å; V550-T552 PolarHBondContact O-N 3.47Å; V550-L553 PolarHBondContact O-N 3.14Å; V550-E554 HydrophobicContact CG1-CG 4.26Å; V550-E554 WeakPolarHBondContact CG1-OE1 3.47Å; V550-E554 WeakPolarHBondContact O-CB 3.28Å; V550-E554 VanDerWaalsContact O-CG 3.28Å; V550-E554 WeakPolarHBondContact O-CG 3.24Å; V550-E554 PolarHBondContact O-N 2.89Å; V550-L564 HydrophobicContact CG1-CD1 3.87Å; V550-L564 HydrophobicContact CG2-CD1 4.07Å; V550-L564 HydrophobicContact CG2-CD2 4.08Å |
| 551 | W | 84.8 | Confident | 77 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -34 | 178.6 | -72.9 | 7.6 | 0 | 0 | 0 | 112.6 | R509 R511 P512 Y521 A542 E547 I548 R555 | R509-W551 HydrophobicContact CB-CZ2 4.41Å; R509-W551 VanDerWaalsContact NH2-CH2 3.32Å; R509-W551 PolarHBondContact O-NE1 3.29Å; R511-W551 HydrophobicContact CB-CD2 4.39Å; R511-W551 HydrophobicContact CB-CG 4.01Å; R511-W551 WeakPolarHBondContact CD-O 3.46Å; R511-W551 HydrophobicContact CG-CB 4Å; R511-W551 HydrophobicContact CG-CD2 4.19Å; R511-W551 HydrophobicContact CG-CG 3.87Å; P512-W551 HydrophobicContact CG-CH2 3.65Å; P512-W551 HydrophobicContact CG-CZ2 4.21Å; P512-W551 HydrophobicContact CG-CZ3 3.87Å; Y521-W551 AromaticContact CD1-CE3 3.63Å; Y521-W551 HydrophobicContact CD1-CE3 3.63Å; Y521-W551 HydrophobicContact CD1-CZ3 4.18Å; Y521-W551 HydrophobicContact CD2-CB 3.68Å; Y521-W551 HydrophobicContact CD2-CE3 4.45Å; Y521-W551 AromaticContact CE1-CE3 3.95Å; Y521-W551 HydrophobicContact CE1-CE3 3.95Å; Y521-W551 HydrophobicContact CE2-CB 3.7Å; Y521-W551 WeakPolarHBondContact CE2-O 3.26Å; Y521-W551 HydrophobicContact CG-CB 4.25Å; Y521-W551 AromaticContact CG-CE3 3.91Å; Y521-W551 HydrophobicContact CG-CE3 3.91Å; A542-W551 HydrophobicContact CB-CE3 4.38Å; A542-W551 HydrophobicContact CB-CZ3 4.17Å; E547-W551 VanDerWaalsContact CD-CZ2 3.45Å; E547-W551 HydrophobicContact CG-CD2 3.95Å; E547-W551 VanDerWaalsContact CG-CE2 3.4Å; E547-W551 HydrophobicContact CG-CG 4.33Å; E547-W551 HydrophobicContact CG-CH2 4.38Å; E547-W551 HydrophobicContact CG-CZ2 3.65Å; E547-W551 VanDerWaalsContact O-CB 3.24Å; E547-W551 WeakPolarHBondContact O-CB 3.28Å; E547-W551 PolarHBondContact O-N 3.23Å; E547-W551 WeakPolarHBondContact OE1-CZ2 3.45Å; I548-W551 PolarHBondContact O-N 2.73Å; W551-R555 VanDerWaalsContact O-CB 3.25Å; W551-R555 WeakPolarHBondContact O-CB 3.35Å; W551-R555 PolarHBondContact O-N 2.83Å |
| 552 | T | 80.5 | Confident | 75.7 | Confident | 29 Ų | 29 | 34 Ų | 34 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.4 | -41.6 | 178.8 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | I548 D549 V550 R555 K556 | I548-T552 WeakPolarHBondContact O-CB 3.17Å; I548-T552 PolarHBondContact O-N 3.45Å; I548-T552 PolarHBondContact O-OG1 3.04Å; D549-T552 PolarHBondContact O-N 3.48Å; V550-T552 PolarHBondContact O-N 3.47Å; T552-R555 PolarHBondContact O-N 2.76Å; T552-K556 HydrophobicContact CG2-CD 4.5Å; T552-K556 WeakPolarHBondContact O-CG 3.36Å; T552-K556 PolarHBondContact O-N 3.41Å |
| 553 | L | 75.6 | Confident | 74.5 | Confident | 27 Ų | 27 | 37.3 Ų | 37.3 | 14% | 0.141 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.1 | -40 | 175.4 | -68.2 | 169.7 | 0 | 0 | 0 | 111.8 | P454 L455 D549 V550 R555 K556 G557 F558 I559 | P454-L553 HydrophobicContact CG-CD1 3.9Å; L455-L553 HydrophobicContact CD1-CD1 3.74Å; L455-L553 HydrophobicContact CD2-CD1 3.72Å; L455-L553 HydrophobicContact CG-CD1 3.46Å; L455-L553 VanDerWaalsContact CG-CD1 3.46Å; D549-L553 WeakPolarHBondContact O-CG 3.21Å; D549-L553 PolarHBondContact O-N 3.07Å; D549-L553 VanDerWaalsContact O-N 3.12Å; V550-L553 PolarHBondContact O-N 3.14Å; L553-R555 VanDerWaalsContact C-N 3.26Å; L553-R555 PolarHBondContact O-N 3.42Å; L553-K556 CarbonylContact O-C 3.1Å; L553-K556 PolarHBondContact O-N 2.99Å; L553-K556 VanDerWaalsContact O-N 3.08Å; L553-G557 PolarHBondContact O-N 3.34Å; L553-F558 HydrophobicContact CD2-CB 4Å; L553-F558 HydrophobicContact CD2-CD2 4.38Å; L553-F558 PolarHBondContact O-N 3.42Å; L553-F558 VanDerWaalsContact O-N 3.14Å; L553-I559 HydrophobicContact CB-CB 4.03Å; L553-I559 HydrophobicContact CB-CG2 3.56Å; L553-I559 HydrophobicContact CD1-CD1 4.41Å |
| 554 | E | 74.5 | Confident | 73.4 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 12% | 0.121 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -35.6 | 172.7 | -72.1 | 174.8 | 171 | 0 | 0 | 111.9 | R511 V550 I559 R561 | R511-E554 WeakPolarHBondContact CB-OE2 2.84Å; R511-E554 PolarHBondContact NH1-O 2.94Å; V550-E554 HydrophobicContact CG1-CG 4.26Å; V550-E554 WeakPolarHBondContact CG1-OE1 3.47Å; V550-E554 WeakPolarHBondContact O-CB 3.28Å; V550-E554 VanDerWaalsContact O-CG 3.28Å; V550-E554 WeakPolarHBondContact O-CG 3.24Å; V550-E554 PolarHBondContact O-N 2.89Å; E554-I559 HydrophobicContact CG-CG2 3.72Å; E554-R561 WeakPolarHBondContact OE1-CD 3.49Å; E554-R561 WeakPolarHBondContact OE1-CG 3.41Å; E554-R561 IonicContact OE1-CZ 2.66Å; E554-R561 IonicContact OE1-NE 2.65Å; E554-R561 PolarHBondContact OE1-NE 2.93Å; E554-R561 IonicContact OE1-NH2 3.38Å; E554-R561 PolarHBondContact OE1-NH2 3.46Å; E554-R561 IonicContact OE2-CZ 2.68Å; E554-R561 IonicContact OE2-NE 3.54Å; E554-R561 IonicContact OE2-NH2 2.63Å; E554-R561 PolarHBondContact OE2-NH2 3.16Å |
| 555 | R | 75.6 | Confident | 72.1 | Confident | 50 Ų | 50 | 38.3 Ų | 38.3 | 19% | 0.189 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.4 | -37.1 | 173.9 | 177.9 | -177.7 | 69.1 | 91.5 | -18.7 | 111.9 | Y517 V518 G519 Y521 W551 T552 L553 R657 | Y517-R555 WeakPolarHBondContact O-CD 3.43Å; V518-R555 PolarHBondContact O-NH1 3.32Å; G519-R555 PolarHBondContact O-NE 2.85Å; G519-R555 VanDerWaalsContact O-NE 3.1Å; G519-R555 PolarHBondContact O-NH2 2.9Å; G519-R555 VanDerWaalsContact O-NH2 3.12Å; Y521-R555 HydrophobicContact CE2-CB 4.05Å; W551-R555 VanDerWaalsContact O-CB 3.25Å; W551-R555 WeakPolarHBondContact O-CB 3.35Å; W551-R555 PolarHBondContact O-N 2.83Å; T552-R555 PolarHBondContact O-N 2.76Å; L553-R555 VanDerWaalsContact C-N 3.26Å; L553-R555 PolarHBondContact O-N 3.42Å; R555-R657 PolarHBondContact O-NH1 3.4Å; R555-R657 VanDerWaalsContact O-NH1 3.13Å |
| 556 | K | 63.3 | Low | 70.3 | Confident | 107 Ų | 107 | 38.6 Ų | 38.6 | 47% | 0.465 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -75.9 | -26 | 177.7 | -74.4 | 179.3 | 170.7 | -168.4 | 0 | 113.2 | T552 L553 F558 R657 | T552-K556 HydrophobicContact CG2-CD 4.5Å; T552-K556 WeakPolarHBondContact O-CG 3.36Å; T552-K556 PolarHBondContact O-N 3.41Å; L553-K556 CarbonylContact O-C 3.1Å; L553-K556 PolarHBondContact O-N 2.99Å; L553-K556 VanDerWaalsContact O-N 3.08Å; K556-F558 HydrophobicContact CB-CD2 3.49Å; K556-F558 VanDerWaalsContact CB-CD2 3.49Å; K556-F558 HydrophobicContact CB-CE2 3.84Å; K556-F558 HydrophobicContact CB-CG 4.27Å; K556-F558 HydrophobicContact CD-CD2 3.84Å; K556-F558 HydrophobicContact CD-CE2 3.9Å; K556-F558 HydrophobicContact CG-CD2 4.27Å; K556-F558 HydrophobicContact CG-CE2 4.36Å; K556-R657 PolarHBondContact O-NH2 3.1Å |
| 557 | G | 57.9 | Low | 67.9 | Low | 14 Ų | 14 | 42.3 Ų | 42.3 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | -5.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L553 I559 | L553-G557 PolarHBondContact O-N 3.34Å; G557-I559 PolarHBondContact O-N 2.9Å |
| 558 | F | 53.4 | Low | 65.5 | Low | 95 Ų | 95 | 50.3 Ų | 50.3 | 42% | 0.417 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -78.1 | 6 | -174.9 | -62.3 | -48.3 | 0 | 0 | 0 | 114.9 | L450 L553 K556 | L450-F558 HydrophobicContact CD2-CD1 4.17Å; L553-F558 HydrophobicContact CD2-CB 4Å; L553-F558 HydrophobicContact CD2-CD2 4.38Å; L553-F558 PolarHBondContact O-N 3.42Å; L553-F558 VanDerWaalsContact O-N 3.14Å; K556-F558 HydrophobicContact CB-CD2 3.49Å; K556-F558 VanDerWaalsContact CB-CD2 3.49Å; K556-F558 HydrophobicContact CB-CE2 3.84Å; K556-F558 HydrophobicContact CB-CG 4.27Å; K556-F558 HydrophobicContact CD-CD2 3.84Å; K556-F558 HydrophobicContact CD-CE2 3.9Å; K556-F558 HydrophobicContact CG-CD2 4.27Å; K556-F558 HydrophobicContact CG-CE2 4.36Å |
| 559 | I | 62.3 | Low | 63 | Low | 19 Ų | 19 | 50.8 Ų | 50.8 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | trans | -156 | 144.2 | 175.7 | -149 | 166.1 | 0 | 0 | 0 | 113.2 | P454 L553 E554 G557 L564 | P454-I559 HydrophobicContact CG-CD1 4.07Å; P454-I559 HydrophobicContact CG-CG1 4.47Å; L553-I559 HydrophobicContact CB-CB 4.03Å; L553-I559 HydrophobicContact CB-CG2 3.56Å; L553-I559 HydrophobicContact CD1-CD1 4.41Å; E554-I559 HydrophobicContact CG-CG2 3.72Å; G557-I559 PolarHBondContact O-N 2.9Å; I559-L564 HydrophobicContact CD1-CD2 3.39Å; I559-L564 HydrophobicContact CD1-CG 3.79Å; I559-L564 HydrophobicContact CG1-CD2 4.44Å; I559-L564 HydrophobicContact CG1-CG 4.35Å | ||
| 560 | S | 59 | Low | 60.5 | Low | 36 Ų | 36 | 54.9 Ų | 54.9 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | trans | -111.1 | 146.2 | 162.6 | 172.1 | 0 | 0 | 0 | 0 | 109.5 | E562 L563 L564 | S560-E562 PolarHBondContact O-N 2.98Å; S560-E562 PolarHBondContact OG-N 2.97Å; S560-L563 WeakPolarHBondContact O-CB 3.41Å; S560-L563 PolarHBondContact O-N 2.81Å; S560-L564 PolarHBondContact O-N 3.13Å | ||
| 561 | R | 67 | Low | 58.2 | Low | 65 Ų | 65 | 62.9 Ų | 62.9 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -24.3 | 179.2 | -66 | -171.9 | -177.7 | -130.7 | -15.3 | 113.8 | I508 R509 E554 L563 L564 F565 | I508-R561 PolarHBondContact O-NH1 3.46Å; R509-R561 VanDerWaalsContact C-NH1 3.28Å; R509-R561 VanDerWaalsContact O-CZ 3.32Å; R509-R561 PolarHBondContact O-NH1 3.24Å; R509-R561 PolarHBondContact O-NH2 3.16Å; E554-R561 WeakPolarHBondContact OE1-CD 3.49Å; E554-R561 WeakPolarHBondContact OE1-CG 3.41Å; E554-R561 IonicContact OE1-CZ 2.66Å; E554-R561 IonicContact OE1-NE 2.65Å; E554-R561 PolarHBondContact OE1-NE 2.93Å; E554-R561 IonicContact OE1-NH2 3.38Å; E554-R561 PolarHBondContact OE1-NH2 3.46Å; E554-R561 IonicContact OE2-CZ 2.68Å; E554-R561 IonicContact OE2-NE 3.54Å; E554-R561 IonicContact OE2-NH2 2.63Å; E554-R561 PolarHBondContact OE2-NH2 3.16Å; R561-L563 PolarHBondContact O-N 3.45Å; R561-L564 HydrophobicContact CG-CD1 4.31Å; R561-L564 PolarHBondContact O-N 3.35Å; R561-F565 VanDerWaalsContact O-CD2 3.25Å; R561-F565 WeakPolarHBondContact O-CD2 3.5Å; R561-F565 WeakPolarHBondContact O-CE2 3.47Å |
| 562 | E | 57.6 | Low | 55.9 | Low | 79 Ų | 79 | 65.7 Ų | 65.7 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66 | -29.8 | 174 | -63.8 | 173.8 | -175.8 | 0 | 0 | 111.5 | S560 H585 K680 | S560-E562 PolarHBondContact O-N 2.98Å; S560-E562 PolarHBondContact OG-N 2.97Å; E562-H585 IonicContact OE1-NE2 3.57Å; E562-K680 WeakPolarHBondContact OE2-CE 3.46Å; E562-K680 IonicContact OE2-NZ 2.71Å; E562-K680 PolarHBondContact OE2-NZ 3Å |
| 563 | L | 60.4 | Low | 54 | Low | 68 Ų | 68 | 71.1 Ų | 71.1 | 36% | 0.356 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -90.5 | -13.7 | -178.7 | -54.2 | 176.4 | 0 | 0 | 0 | 113.2 | N453 S560 R561 F565 | N453-L563 WeakPolarHBondContact CB-O 3.48Å; S560-L563 WeakPolarHBondContact O-CB 3.41Å; S560-L563 PolarHBondContact O-N 2.81Å; R561-L563 PolarHBondContact O-N 3.45Å; L563-F565 PolarHBondContact O-N 2.76Å |
| 564 | L | 63.6 | Low | 52.7 | Low | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.8 | -32 | 173.7 | -83.8 | 171.3 | 0 | 0 | 0 | 112.5 | N453 F461 L493 V550 I559 S560 R561 | N453-L564 PolarHBondContact ND2-O 2.86Å; N453-L564 VanDerWaalsContact ND2-O 3.09Å; F461-L564 HydrophobicContact CD1-CD2 4.19Å; F461-L564 HydrophobicContact CD2-CB 4.47Å; F461-L564 HydrophobicContact CD2-CD2 3.74Å; F461-L564 HydrophobicContact CE1-CD2 3.93Å; F461-L564 HydrophobicContact CE2-CD2 3.46Å; F461-L564 VanDerWaalsContact CE2-CD2 3.46Å; F461-L564 HydrophobicContact CG-CB 4.44Å; F461-L564 HydrophobicContact CG-CD2 4.1Å; F461-L564 HydrophobicContact CZ-CD2 3.56Å; L493-L564 HydrophobicContact CD1-CD1 4.33Å; L493-L564 HydrophobicContact CD2-CD1 3.84Å; V550-L564 HydrophobicContact CG1-CD1 3.87Å; V550-L564 HydrophobicContact CG2-CD1 4.07Å; V550-L564 HydrophobicContact CG2-CD2 4.08Å; I559-L564 HydrophobicContact CD1-CD2 3.39Å; I559-L564 HydrophobicContact CD1-CG 3.79Å; I559-L564 HydrophobicContact CG1-CD2 4.44Å; I559-L564 HydrophobicContact CG1-CG 4.35Å; S560-L564 PolarHBondContact O-N 3.13Å; R561-L564 HydrophobicContact CG-CD1 4.31Å; R561-L564 PolarHBondContact O-N 3.35Å |
| 565 | F | 60 | Low | 51.9 | Low | 35 Ų | 35 | 79.5 Ų | 79.5 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -98.5 | 108 | -179.1 | -50.6 | -72 | 0 | 0 | 0 | 109.7 | F461 Q463 L493 R561 L563 P567 | F461-F565 HydrophobicContact CB-CD1 4.16Å; F461-F565 HydrophobicContact CB-CE1 4.2Å; Q463-F565 HydrophobicContact CB-CE1 4.39Å; Q463-F565 HydrophobicContact CG-CD1 3.65Å; Q463-F565 HydrophobicContact CG-CD2 4.13Å; Q463-F565 HydrophobicContact CG-CE1 3.29Å; Q463-F565 HydrophobicContact CG-CE2 3.81Å; Q463-F565 HydrophobicContact CG-CG 4.03Å; Q463-F565 HydrophobicContact CG-CZ 3.33Å; L493-F565 HydrophobicContact CB-CZ 3.95Å; L493-F565 HydrophobicContact CD1-CE1 3.41Å; L493-F565 VanDerWaalsContact CD1-CE1 3.41Å; L493-F565 HydrophobicContact CD1-CE2 4.24Å; L493-F565 HydrophobicContact CD1-CZ 3.23Å; L493-F565 HydrophobicContact CG-CZ 4.07Å; R561-F565 VanDerWaalsContact O-CD2 3.25Å; R561-F565 WeakPolarHBondContact O-CD2 3.5Å; R561-F565 WeakPolarHBondContact O-CE2 3.47Å; L563-F565 PolarHBondContact O-N 2.76Å; F565-P567 WeakPolarHBondContact O-CD 3.4Å |
| 566 | D | 47.8 | Very low | 51.6 | Low | 87 Ų | 87 | 78.1 Ų | 78.1 | 47% | 0.465 | 41% | 0.406 | S | S | . | . | trans | -69.9 | 114.6 | 163.5 | 178.6 | -0.5 | 0 | 0 | 0 | 109.1 | F568 G569 | D566-F568 PolarHBondContact OD1-N 3.02Å; D566-G569 PolarHBondContact OD1-N 3.08Å; D566-G569 WeakPolarHBondContact OD2-CA 3.5Å; D566-G569 PolarHBondContact OD2-N 3.12Å; D566-G569 VanDerWaalsContact OD2-N 3.1Å | ||
| 567 | P | 40 | Very low | 52.4 | Low | 88 Ų | 88 | 75.5 Ų | 75.5 | 57% | 0.571 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -83.1 | -12.3 | -178.6 | -7.4 | 27.3 | 0 | 0 | 0 | 113 | F565 | F565-P567 WeakPolarHBondContact O-CD 3.4Š|
| 568 | F | 37 | Very low | 53.7 | Low | 167 Ų | 167 | 75 Ų | 75 | 73% | 0.732 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -143.9 | 8 | -167.1 | -70.8 | -67.2 | 0 | 0 | 0 | 116.9 | D566 | D566-F568 PolarHBondContact OD1-N 3.02Š|
| 569 | G | 34.8 | Very low | 55 | Low | 26 Ų | 26 | 72.7 Ų | 72.7 | 27% | 0.268 | 39% | 0.388 | S | S | . | . | trans | 92.6 | 161.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D566 N571 S572 | D566-G569 PolarHBondContact OD1-N 3.08Å; D566-G569 WeakPolarHBondContact OD2-CA 3.5Å; D566-G569 PolarHBondContact OD2-N 3.12Å; D566-G569 VanDerWaalsContact OD2-N 3.1Å; G569-N571 PolarHBondContact O-N 3.38Å; G569-S572 PolarHBondContact O-N 2.84Å | ||
| 570 | P | 32.8 | Very low | 55.8 | Low | 130 Ų | 130 | 75.2 Ų | 75.2 | 84% | 0.844 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 15.5 | -165.4 | 30.3 | -38.3 | 0 | 0 | 0 | 115.5 | ||
| 571 | N | 34.8 | Very low | 56.8 | Low | 169 Ų | 169 | 73.5 Ų | 73.5 | 90% | 0.904 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 31.5 | 179.4 | -94.1 | -16.6 | 0 | 0 | 0 | 112.4 | G569 | G569-N571 PolarHBondContact O-N 3.38Š|
| 572 | S | 36.3 | Very low | 57.5 | Low | 58 Ų | 58 | 70.5 Ų | 70.5 | 41% | 0.406 | 38% | 0.376 | S | S | . | . | trans | -129.4 | 114.5 | 161.9 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | G569 I574 | G569-S572 PolarHBondContact O-N 2.84Å; S572-I574 PolarHBondContact O-N 2.71Å | ||
| 573 | N | 40.7 | Very low | 58.5 | Low | 143 Ų | 143 | 73.9 Ų | 73.9 | 77% | 0.765 | 39% | 0.391 | S | S | * | . | trans | -61.6 | 106.9 | 149 | -79.9 | -49.2 | 0 | 0 | 0 | 105.6 | R575 | N573-R575 PolarHBondContact O-N 2.94Š| ||
| 574 | I | 48.3 | Very low | 59.2 | Low | 63 Ų | 63 | 75.3 Ų | 75.3 | 32% | 0.323 | 40% | 0.396 | S | S | . | . | trans | -72.4 | 82.3 | 175.3 | -68.2 | 174.3 | 0 | 0 | 0 | 107.3 | S572 L576 K580 | S572-I574 PolarHBondContact O-N 2.71Å; I574-L576 HydrophobicContact CG2-CD2 4.37Å; I574-L576 PolarHBondContact O-N 2.78Å; I574-K580 HydrophobicContact CG2-CD 4.09Å | ||
| 575 | R | 56.7 | Low | 59.8 | Low | 167 Ų | 167 | 77.4 Ų | 77.4 | 63% | 0.63 | 41% | 0.406 | S | S | * | . | trans | -55.3 | 108.7 | 167.7 | -171.9 | 176.7 | -177.7 | 166.4 | 3.2 | 107.3 | N573 T577 L688 | N573-R575 PolarHBondContact O-N 2.94Å; R575-T577 HydrophobicContact CG-CG2 4.49Å; R575-T577 PolarHBondContact O-N 3.44Å; R575-L688 HydrophobicContact CG-CD1 4.14Å; R575-L688 HydrophobicContact CG-CD2 3.88Å | ||
| 576 | L | 68.8 | Low | 60.7 | Low | 20 Ų | 20 | 84.3 Ų | 84.3 | 11% | 0.105 | 43% | 0.431 | C | S | . | . | trans | -65.4 | 137.1 | 179.1 | -72.7 | 170.9 | 0 | 0 | 0 | 108.5 | I574 M683 M684 E687 L688 | I574-L576 HydrophobicContact CG2-CD2 4.37Å; I574-L576 PolarHBondContact O-N 2.78Å; L576-M683 HydrophobicContact CD1-CB 3.6Å; L576-M683 HydrophobicContact CD1-CE 4.31Å; L576-M683 HydrophobicContact CD1-SD 4.35Å; L576-M684 HydrophobicContact CB-CB 3.8Å; L576-M684 HydrophobicContact CB-CG 4.17Å; L576-M684 WeakPolarHBondContact O-CG 3Å; L576-E687 PolarHBondContact N-OE2 3.39Å; L576-L688 VanDerWaalsContact O-CD1 3.31Å; L576-L688 WeakPolarHBondContact O-CD1 3.25Å | ||
| 577 | T | 81.5 | Confident | 62.5 | Low | 52 Ų | 52 | 81 Ų | 81 | 32% | 0.319 | 42% | 0.417 | S | S | . | . | trans | -143.5 | 149.9 | -177.9 | 55.5 | 0 | 0 | 0 | 0 | 109.9 | R575 P579 K580 I581 | R575-T577 HydrophobicContact CG-CG2 4.49Å; R575-T577 PolarHBondContact O-N 3.44Å; T577-P579 VanDerWaalsContact C-N 3.35Å; T577-K580 PolarHBondContact O-N 2.75Å; T577-I581 PolarHBondContact O-N 3.44Å | ||
| 578 | V | 84.1 | Confident | 64.8 | Low | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.018 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -53.2 | -44 | -177.4 | -170.4 | 0 | 0 | 0 | 0 | 112.6 | K580 I581 L582 F589 M684 I690 I695 D698 A699 | V578-K580 VanDerWaalsContact C-N 3.35Å; V578-K580 PolarHBondContact O-N 2.86Å; V578-I581 PolarHBondContact O-N 2.92Å; V578-L582 HydrophobicContact CG1-CD1 3.88Å; V578-L582 HydrophobicContact CG1-CG 4.34Å; V578-L582 WeakPolarHBondContact O-CB 3.32Å; V578-L582 VanDerWaalsContact O-CG 3.29Å; V578-L582 WeakPolarHBondContact O-CG 3.47Å; V578-L582 PolarHBondContact O-N 3.34Å; V578-F589 HydrophobicContact CG1-CD2 3.9Å; V578-F589 HydrophobicContact CG1-CE2 3.93Å; V578-M684 HydrophobicContact CG2-CE 3.95Å; V578-M684 HydrophobicContact CG2-SD 3.91Å; V578-I690 HydrophobicContact CG2-CD1 4.22Å; V578-I695 HydrophobicContact CG1-CG2 4.24Å; V578-I695 HydrophobicContact CG2-CB 4.33Å; V578-I695 HydrophobicContact CG2-CG1 4.22Å; V578-I695 HydrophobicContact CG2-CG2 4.18Å; V578-D698 HydrophobicContact CB-CB 4.02Å; V578-D698 HydrophobicContact CG1-CB 4.4Å; V578-D698 HydrophobicContact CG2-CB 3.95Å; V578-A699 HydrophobicContact CG1-CB 3.95Å |
| 579 | P | 82.4 | Confident | 67.3 | Low | 48 Ų | 48 | 71.3 Ų | 71.3 | 31% | 0.312 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.5 | -42.3 | 172.2 | -28.4 | 38.4 | 0 | 0 | 0 | 114 | T577 L582 Q583 F702 | T577-P579 VanDerWaalsContact C-N 3.35Å; P579-L582 PolarHBondContact O-N 2.71Å; P579-Q583 VanDerWaalsContact O-CB 3.27Å; P579-Q583 WeakPolarHBondContact O-CB 3.49Å; P579-Q583 PolarHBondContact O-N 3.41Å; P579-F702 HydrophobicContact CB-CD2 3.56Å; P579-F702 HydrophobicContact CB-CE2 3.84Å; P579-F702 HydrophobicContact CB-CG 4.13Å; P579-F702 HydrophobicContact CG-CB 4.31Å; P579-F702 HydrophobicContact CG-CD2 3.99Å; P579-F702 HydrophobicContact CG-CG 4.33Å |
| 580 | K | 77.8 | Confident | 70 | Confident | 71 Ų | 71 | 73.2 Ų | 73.2 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.9 | -42.3 | -177.2 | -169.8 | 167.4 | -176.3 | 169.8 | 0 | 111.6 | I574 T577 V578 Q583 E584 | I574-K580 HydrophobicContact CG2-CD 4.09Å; T577-K580 PolarHBondContact O-N 2.75Å; V578-K580 VanDerWaalsContact C-N 3.35Å; V578-K580 PolarHBondContact O-N 2.86Å; K580-Q583 PolarHBondContact O-N 2.81Å; K580-E584 WeakPolarHBondContact O-CB 3.26Å; K580-E584 PolarHBondContact O-N 3.31Å; K580-E584 VanDerWaalsContact O-N 3.1Å |
| 581 | I | 80.3 | Confident | 72.8 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.7 | -59.7 | 172.5 | 0 | 0 | 0 | 110.5 | T577 V578 E584 H585 F589 I677 K680 V681 M684 | T577-I581 PolarHBondContact O-N 3.44Å; V578-I581 PolarHBondContact O-N 2.92Å; I581-E584 PolarHBondContact O-N 3.17Å; I581-H585 PolarHBondContact O-N 3.05Å; I581-F589 HydrophobicContact CG2-CE2 4.46Å; I581-F589 HydrophobicContact CG2-CZ 3.95Å; I581-I677 HydrophobicContact CG2-CD1 3.96Å; I581-I677 HydrophobicContact CG2-CG1 4.07Å; I581-K680 HydrophobicContact CD1-CB 4.28Å; I581-K680 WeakPolarHBondContact CD1-O 3.48Å; I581-K680 HydrophobicContact CG1-CB 4.42Å; I581-V681 HydrophobicContact CD1-CG2 4.31Å; I581-M684 HydrophobicContact CD1-CB 4.33Å; I581-M684 HydrophobicContact CD1-CE 3.87Å; I581-M684 HydrophobicContact CD1-SD 3.76Å |
| 582 | L | 82.1 | Confident | 75.4 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.3 | -33 | 176.6 | -70.5 | 174.3 | 0 | 0 | 0 | 113.3 | V578 P579 E584 R586 F589 A699 F702 | V578-L582 HydrophobicContact CG1-CD1 3.88Å; V578-L582 HydrophobicContact CG1-CG 4.34Å; V578-L582 WeakPolarHBondContact O-CB 3.32Å; V578-L582 VanDerWaalsContact O-CG 3.29Å; V578-L582 WeakPolarHBondContact O-CG 3.47Å; V578-L582 PolarHBondContact O-N 3.34Å; P579-L582 PolarHBondContact O-N 2.71Å; L582-E584 VanDerWaalsContact C-N 3.34Å; L582-R586 WeakPolarHBondContact O-CA 3.4Å; L582-R586 PolarHBondContact O-N 2.94Å; L582-F589 HydrophobicContact CD1-CD2 4.27Å; L582-F589 HydrophobicContact CD1-CE2 4.44Å; L582-F589 HydrophobicContact CD2-CD2 3.71Å; L582-F589 HydrophobicContact CD2-CE2 3.62Å; L582-F589 HydrophobicContact CD2-CG 4.45Å; L582-F589 HydrophobicContact CD2-CZ 4.3Å; L582-F589 HydrophobicContact CG-CD2 4.07Å; L582-F589 HydrophobicContact CG-CE2 3.82Å; L582-A699 HydrophobicContact CD1-CB 3.76Å; L582-F702 HydrophobicContact CB-CD1 4.18Å; L582-F702 HydrophobicContact CB-CE1 4.03Å; L582-F702 HydrophobicContact CD1-CD1 3.87Å |
| 583 | Q | 78.5 | Confident | 78 | Confident | 149 Ų | 149 | 58.1 Ų | 58.1 | 70% | 0.696 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -67.8 | -36.1 | 175.4 | -174.2 | 177.6 | 16.2 | 0 | 0 | 111.9 | P579 K580 | P579-Q583 VanDerWaalsContact O-CB 3.27Å; P579-Q583 WeakPolarHBondContact O-CB 3.49Å; P579-Q583 PolarHBondContact O-N 3.41Å; K580-Q583 PolarHBondContact O-N 2.81Å |
| 584 | E | 75.8 | Confident | 80.2 | Confident | 98 Ų | 98 | 51.6 Ų | 51.6 | 46% | 0.458 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -78.6 | -57.7 | -179.9 | -174.2 | -179.1 | -144.7 | 0 | 0 | 112.1 | K580 I581 L582 K680 | K580-E584 WeakPolarHBondContact O-CB 3.26Å; K580-E584 PolarHBondContact O-N 3.31Å; K580-E584 VanDerWaalsContact O-N 3.1Å; I581-E584 PolarHBondContact O-N 3.17Å; L582-E584 VanDerWaalsContact C-N 3.34Å; E584-K680 IonicContact OE1-NZ 2.75Å; E584-K680 PolarHBondContact OE1-NZ 2.83Å; E584-K680 WeakPolarHBondContact OE2-CD 3.4Å; E584-K680 IonicContact OE2-NZ 2.81Å; E584-K680 PolarHBondContact OE2-NZ 2.7Å |
| 585 | H | 75.8 | Confident | 82.1 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -89.8 | -7.5 | -173.8 | -72.6 | -83.1 | 0 | 0 | 0 | 114.6 | E562 I581 L676 I677 | E562-H585 IonicContact OE1-NE2 3.57Å; I581-H585 PolarHBondContact O-N 3.05Å; H585-L676 VanDerWaalsContact NE2-CB 3.35Å; H585-L676 WeakPolarHBondContact NE2-CB 3.33Å; H585-I677 HydrophobicContact CB-CD1 3.74Å |
| 586 | R | 79 | Confident | 83.6 | Confident | 180 Ų | 180 | 43.5 Ų | 43.5 | 68% | 0.679 | 21% | 0.214 | S | C | * | . | trans | 59 | -168.3 | -177.6 | -53.8 | -177.2 | 180 | -167.3 | -1.4 | 112.2 | L582 H632 L634 | L582-R586 WeakPolarHBondContact O-CA 3.4Å; L582-R586 PolarHBondContact O-N 2.94Å; R586-H632 PolarHBondContact O-NE2 3.23Å; R586-L634 HydrophobicContact CB-CD1 4.02Å | ||
| 587 | G | 85.1 | Confident | 84.5 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 73.2 | -160.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I633 W703 | G587-I633 CarbonylContact C-O 3.57Å; G587-I633 WeakPolarHBondContact CA-O 3.28Å; G587-W703 VanDerWaalsContact O-CZ2 3.32Å; G587-W703 WeakPolarHBondContact O-CZ2 3.32Å; G587-W703 PolarHBondContact O-NE1 3.45Å |
| 588 | I | 87.3 | Confident | 84.8 | Confident | 44 Ų | 44 | 43 Ų | 43 | 23% | 0.226 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150.8 | -175.6 | 61.9 | 179.2 | 0 | 0 | 0 | 111.6 | M590 H632 I633 | I588-M590 HydrophobicContact CD1-CE 3.96Å; I588-H632 WeakPolarHBondContact O-CA 3.45Å; I588-I633 HydrophobicContact CD1-CD1 4.5Å; I588-I633 HydrophobicContact CG1-CB 3.89Å; I588-I633 HydrophobicContact CG1-CD1 4.48Å; I588-I633 HydrophobicContact CG1-CG1 4.47Å; I588-I633 PolarHBondContact N-O 3.39Å; I588-I633 PolarHBondContact O-N 3.36Å |
| 589 | F | 91.4 | Very high | 84.9 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.3 | 165.9 | -65 | -59.5 | 0 | 0 | 0 | 110.3 | V578 I581 L582 L630 H632 I644 I677 V681 I695 V696 A699 | V578-F589 HydrophobicContact CG1-CD2 3.9Å; V578-F589 HydrophobicContact CG1-CE2 3.93Å; I581-F589 HydrophobicContact CG2-CE2 4.46Å; I581-F589 HydrophobicContact CG2-CZ 3.95Å; L582-F589 HydrophobicContact CD1-CD2 4.27Å; L582-F589 HydrophobicContact CD1-CE2 4.44Å; L582-F589 HydrophobicContact CD2-CD2 3.71Å; L582-F589 HydrophobicContact CD2-CE2 3.62Å; L582-F589 HydrophobicContact CD2-CG 4.45Å; L582-F589 HydrophobicContact CD2-CZ 4.3Å; L582-F589 HydrophobicContact CG-CD2 4.07Å; L582-F589 HydrophobicContact CG-CE2 3.82Å; F589-L630 HydrophobicContact CB-CD1 4.23Å; F589-H632 HydrophobicContact CD1-CB 4.06Å; F589-H632 HydrophobicContact CE1-CB 3.98Å; F589-H632 AromaticContact CE1-CD2 3.91Å; F589-I644 HydrophobicContact CD1-CD1 3.85Å; F589-I644 HydrophobicContact CE1-CD1 3.49Å; F589-I644 VanDerWaalsContact CE1-CD1 3.49Å; F589-I677 HydrophobicContact CE1-CD1 3.85Å; F589-I677 HydrophobicContact CE1-CG1 4Å; F589-I677 HydrophobicContact CZ-CD1 3.84Å; F589-I677 HydrophobicContact CZ-CG1 4.09Å; F589-V681 HydrophobicContact CE1-CG2 4.2Å; F589-V681 HydrophobicContact CZ-CG2 3.96Å; F589-I695 HydrophobicContact CB-CG2 4.4Å; F589-I695 HydrophobicContact CD2-CG2 3.74Å; F589-I695 HydrophobicContact CE2-CG2 4.14Å; F589-I695 HydrophobicContact CG-CG2 4.03Å; F589-V696 HydrophobicContact CB-CG2 4.33Å; F589-A699 HydrophobicContact CB-CB 4.21Å; F589-A699 HydrophobicContact CD2-CB 4.14Å |
| 590 | M | 89.7 | Confident | 85.2 | Confident | 67 Ų | 67 | 47.7 Ų | 47.7 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 148.8 | -177.4 | -175 | 167.6 | -74.8 | 0 | 0 | 110.4 | I588 V631 I633 | I588-M590 HydrophobicContact CD1-CE 3.96Å; M590-V631 PolarHBondContact N-O 2.76Å; M590-V631 PolarHBondContact O-N 3.3Å; M590-I633 HydrophobicContact CB-CD1 3.88Å; M590-I633 HydrophobicContact CG-CD1 4.37Å; M590-I633 HydrophobicContact SD-CD1 3.93Å |
| 591 | F | 92.1 | Very high | 85.5 | Confident | 37 Ų | 37 | 45 Ų | 45 | 16% | 0.162 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 137.6 | 168.2 | -71.8 | -66.5 | 0 | 0 | 0 | 110.8 | F624 K628 C629 L630 H692 E693 V696 | F591-F624 HydrophobicContact CB-CE1 4.03Å; F591-F624 HydrophobicContact CB-CZ 3.85Å; F591-K628 HydrophobicContact CB-CB 4.27Å; F591-K628 HydrophobicContact CD1-CB 3.87Å; F591-K628 HydrophobicContact CD1-CD 4.09Å; F591-K628 HydrophobicContact CD1-CG 4.07Å; F591-K628 HydrophobicContact CE1-CD 4.06Å; F591-K628 HydrophobicContact CE1-CG 4.21Å; F591-K628 HydrophobicContact CG-CB 4.26Å; F591-K628 HydrophobicContact CG-CD 4.37Å; F591-K628 HydrophobicContact CZ-CD 4.31Å; F591-C629 WeakPolarHBondContact CA-O 3.35Å; F591-L630 HydrophobicContact CE1-CB 4.32Å; F591-L630 HydrophobicContact CE1-CD1 4.49Å; F591-H692 HydrophobicContact CE1-CB 3.82Å; F591-H692 HydrophobicContact CZ-CB 3.73Å; F591-E693 HydrophobicContact CZ-CG 4.4Å; F591-V696 HydrophobicContact CD2-CB 4.39Å; F591-V696 HydrophobicContact CD2-CG1 4.37Å; F591-V696 HydrophobicContact CD2-CG2 3.99Å; F591-V696 HydrophobicContact CE2-CB 4.06Å; F591-V696 HydrophobicContact CE2-CG1 4.47Å; F591-V696 HydrophobicContact CE2-CG2 3.79Å; F591-V696 HydrophobicContact CZ-CG2 4.22Å |
| 592 | L | 90.2 | Very high | 85.8 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 161.8 | 169.9 | -63.9 | 178.3 | 0 | 0 | 0 | 109.4 | G594 F597 I604 S605 K606 K628 C629 V631 Y641 | L592-G594 PolarHBondContact O-N 3.27Å; L592-F597 HydrophobicContact CD1-CD2 4.17Å; L592-F597 HydrophobicContact CD1-CE2 4.4Å; L592-I604 HydrophobicContact CD1-CD1 4.28Å; L592-I604 HydrophobicContact CD1-CG2 4.12Å; L592-I604 HydrophobicContact CD2-CG2 4.41Å; L592-S605 WeakPolarHBondContact CD2-O 3.47Å; L592-K606 HydrophobicContact CD2-CG 4.02Å; L592-K628 WeakPolarHBondContact O-CA 3.4Å; L592-C629 PolarHBondContact N-O 3.02Å; L592-C629 PolarHBondContact O-N 3.31Å; L592-C629 PolarHBondContact O-SG 3.04Å; L592-V631 HydrophobicContact CB-CG2 4.24Å; L592-V631 HydrophobicContact CD1-CB 4.13Å; L592-V631 HydrophobicContact CD1-CG1 4.1Å; L592-V631 HydrophobicContact CD1-CG2 4.06Å; L592-V631 HydrophobicContact CG-CB 4.43Å; L592-V631 HydrophobicContact CG-CG2 4.31Å; L592-Y641 HydrophobicContact CD1-CD1 3.89Å; L592-Y641 HydrophobicContact CD1-CE1 4.12Å |
| 593 | C | 89.8 | Confident | 86 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 115.8 | 174.5 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | C596 F597 S605 C615 F624 | C593-C596 HydrophobicContact CB-CB 4.24Å; C593-C596 PolarHBondContact O-N 2.82Å; C593-C596 VanDerWaalsContact SG-SG 3.7Å; C593-F597 WeakPolarHBondContact O-CB 3.15Å; C593-F597 PolarHBondContact O-N 3.45Å; C593-S605 PolarHBondContact N-O 2.67Å; C593-C615 HydrophobicContact CB-CB 3.6Å; C593-F624 HydrophobicContact CB-CD2 4.2Å; C593-F624 HydrophobicContact CB-CE2 4.35Å |
| 594 | G | 87.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.5 | -48.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L592 C596 F597 D598 H627 | L592-G594 PolarHBondContact O-N 3.27Å; G594-C596 PolarHBondContact O-N 3.02Å; G594-C596 VanDerWaalsContact O-N 3.11Å; G594-F597 CarbonylContact O-C 3.49Å; G594-F597 WeakPolarHBondContact O-CA 3.34Å; G594-F597 WeakPolarHBondContact O-CB 3.37Å; G594-F597 PolarHBondContact O-N 3.41Å; G594-D598 WeakPolarHBondContact O-CB 3.23Å; G594-D598 VanDerWaalsContact O-CG 3.32Å; G594-D598 PolarHBondContact O-N 2.98Å; G594-H627 WeakPolarHBondContact CA-O 3.21Å; G594-H627 PolarHBondContact N-O 3.32Å |
| 595 | V | 87.9 | Confident | 87 | Confident | 58 Ų | 58 | 36.9 Ų | 36.9 | 35% | 0.352 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -53.5 | -38.3 | 177.3 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | H599 H627 | V595-H599 WeakPolarHBondContact O-CB 3.25Å; V595-H599 PolarHBondContact O-N 3.34Å; V595-H599 VanDerWaalsContact O-N 3.15Å; V595-H627 HydrophobicContact CG2-CB 4.03Å; V595-H627 VanDerWaalsContact CG2-CD2 3.43Å; V595-H627 WeakPolarHBondContact CG2-CD2 3.38Å |
| 596 | C | 88.3 | Confident | 87.5 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -75.1 | -37.7 | 174.4 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | C593 G594 D598 H599 I603 H622 | C593-C596 HydrophobicContact CB-CB 4.24Å; C593-C596 PolarHBondContact O-N 2.82Å; C593-C596 VanDerWaalsContact SG-SG 3.7Å; G594-C596 PolarHBondContact O-N 3.02Å; G594-C596 VanDerWaalsContact O-N 3.11Å; C596-D598 VanDerWaalsContact C-N 3.34Å; C596-H599 WeakPolarHBondContact O-CB 3.1Å; C596-I603 CarbonylContact C-O 3.38Å; C596-I603 HydrophobicContact CB-CB 4.25Å; C596-I603 HydrophobicContact CB-CG2 4.49Å; C596-I603 WeakPolarHBondContact CB-O 3.45Å; C596-I603 CarbonylContact O-C 3.55Å; C596-I603 WeakPolarHBondContact O-CA 3.47Å; C596-I603 PolarHBondContact O-N 3.47Å; C596-H622 PolarHBondContact SG-ND1 3.07Å; C596-H622 VanDerWaalsContact SG-ND1 3.35Å |
| 597 | F | 88.7 | Confident | 87.7 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68 | -33.1 | -179.6 | -166.7 | -86.8 | 0 | 0 | 0 | 113.4 | L592 C593 G594 R602 I603 I604 V631 K643 | L592-F597 HydrophobicContact CD1-CD2 4.17Å; L592-F597 HydrophobicContact CD1-CE2 4.4Å; C593-F597 WeakPolarHBondContact O-CB 3.15Å; C593-F597 PolarHBondContact O-N 3.45Å; G594-F597 CarbonylContact O-C 3.49Å; G594-F597 WeakPolarHBondContact O-CA 3.34Å; G594-F597 WeakPolarHBondContact O-CB 3.37Å; G594-F597 PolarHBondContact O-N 3.41Å; F597-R602 VanDerWaalsContact CE1-NH2 3.33Å; F597-R602 VanDerWaalsContact O-CG 3.3Å; F597-R602 WeakPolarHBondContact O-CG 3.43Å; F597-R602 PolarHBondContact O-NE 3.45Å; F597-I603 PolarHBondContact N-O 3.21Å; F597-I604 HydrophobicContact CD2-CD1 3.99Å; F597-I604 HydrophobicContact CE2-CD1 4.03Å; F597-V631 HydrophobicContact CD2-CG2 4.17Å; F597-V631 HydrophobicContact CE2-CG1 4Å; F597-V631 HydrophobicContact CE2-CG2 3.97Å; F597-V631 HydrophobicContact CZ-CG1 4.42Å; F597-V631 HydrophobicContact CZ-CG2 4.41Å; F597-K643 HydrophobicContact CD1-CB 4.46Å; F597-K643 HydrophobicContact CD1-CD 4.19Å; F597-K643 HydrophobicContact CD1-CG 4.43Å; F597-K643 HydrophobicContact CE1-CB 3.73Å; F597-K643 HydrophobicContact CE1-CD 4.2Å; F597-K643 HydrophobicContact CE1-CG 4.18Å; F597-K643 HydrophobicContact CZ-CB 4.22Å |
| 598 | D | 87.1 | Confident | 87.5 | Confident | 59 Ų | 59 | 32.7 Ų | 32.7 | 32% | 0.316 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -97.1 | -10.3 | -177.5 | -56.4 | -44.3 | 0 | 0 | 0 | 112.4 | G594 C596 K643 | G594-D598 WeakPolarHBondContact O-CB 3.23Å; G594-D598 VanDerWaalsContact O-CG 3.32Å; G594-D598 PolarHBondContact O-N 2.98Å; C596-D598 VanDerWaalsContact C-N 3.34Å; D598-K643 IonicContact OD1-NZ 2.98Å; D598-K643 PolarHBondContact OD1-NZ 3.1Å; D598-K643 IonicContact OD2-NZ 2.74Å; D598-K643 PolarHBondContact OD2-NZ 2.98Å |
| 599 | H | 87.2 | Confident | 87 | Confident | 95 Ų | 95 | 37.9 Ų | 37.9 | 44% | 0.44 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -52.2 | 150.4 | 165.6 | -172.2 | -93.6 | 0 | 0 | 0 | 111.1 | V595 C596 P601 R602 | V595-H599 WeakPolarHBondContact O-CB 3.25Å; V595-H599 PolarHBondContact O-N 3.34Å; V595-H599 VanDerWaalsContact O-N 3.15Å; C596-H599 WeakPolarHBondContact O-CB 3.1Å; H599-P601 CarbonylContact C-O 3.59Å; H599-P601 PolarHBondContact ND1-O 3.4Å; H599-P601 CarbonylContact O-C 3.58Å; H599-R602 WeakPolarHBondContact O-CA 3.14Å; H599-R602 PolarHBondContact O-N 3.08Å |
| 600 | K | 86.9 | Confident | 86.3 | Confident | 55 Ų | 55 | 44.1 Ų | 44.1 | 24% | 0.239 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -124.9 | 107.9 | -178.4 | -54.5 | -164.7 | 178.1 | -149.3 | 0 | 108.2 | E667 K969 D970 H971 | K600-E667 VanDerWaalsContact NZ-CD 3.27Å; K600-E667 IonicContact NZ-OE1 2.61Å; K600-E667 PolarHBondContact NZ-OE1 3.45Å; K600-E667 IonicContact NZ-OE2 2.7Å; K600-E667 PolarHBondContact NZ-OE2 2.98Å; K600-K969 VanDerWaalsContact CD-O 3.3Å; K600-K969 WeakPolarHBondContact CD-O 3.36Å; K600-D970 IonicContact NZ-OD1 3.93Å; K600-D970 PolarHBondContact NZ-OD1 3.36Å; K600-H971 PolarHBondContact O-ND1 3.38Å |
| 601 | P | 84.3 | Confident | 85.8 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | S | Bend | cis | -70.7 | 152.4 | 3.3 | 32.1 | -37.8 | 0 | 0 | 0 | 113.3 | H599 N877 W892 H971 | H599-P601 CarbonylContact C-O 3.59Å; H599-P601 PolarHBondContact ND1-O 3.4Å; H599-P601 CarbonylContact O-C 3.58Å; P601-N877 HydrophobicContact CB-CB 4.48Å; P601-N877 HydrophobicContact CG-CB 4.28Å; P601-W892 HydrophobicContact CB-CD2 4.38Å; P601-W892 HydrophobicContact CB-CH2 4.05Å; P601-W892 HydrophobicContact CB-CZ2 3.35Å; P601-W892 HydrophobicContact CG-CZ2 4.3Å; P601-H971 HydrophobicContact CB-CB 4.44Å |
| 602 | R | 86.9 | Confident | 85.3 | Confident | 56 Ų | 56 | 46.2 Ų | 46.2 | 21% | 0.211 | 24% | 0.238 | C | C | . | . | trans | -58.6 | 134.6 | -178.4 | 169.7 | 169.9 | -64.8 | 157.7 | 7.9 | 111.9 | F597 H599 I604 N877 H878 | F597-R602 VanDerWaalsContact CE1-NH2 3.33Å; F597-R602 VanDerWaalsContact O-CG 3.3Å; F597-R602 WeakPolarHBondContact O-CG 3.43Å; F597-R602 PolarHBondContact O-NE 3.45Å; H599-R602 WeakPolarHBondContact O-CA 3.14Å; H599-R602 PolarHBondContact O-N 3.08Å; R602-I604 HydrophobicContact CG-CD1 4.24Å; R602-N877 CarbonylContact O-C 3.51Å; R602-N877 WeakPolarHBondContact O-CA 3.46Å; R602-H878 PolarHBondContact O-N 3.32Å | ||
| 603 | I | 87.1 | Confident | 84.9 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -118.9 | 124.4 | 177.2 | -58 | 176.8 | 0 | 0 | 0 | 110.2 | C596 F597 S605 A875 | C596-I603 CarbonylContact C-O 3.38Å; C596-I603 HydrophobicContact CB-CB 4.25Å; C596-I603 HydrophobicContact CB-CG2 4.49Å; C596-I603 WeakPolarHBondContact CB-O 3.45Å; C596-I603 CarbonylContact O-C 3.55Å; C596-I603 WeakPolarHBondContact O-CA 3.47Å; C596-I603 PolarHBondContact O-N 3.47Å; F597-I603 PolarHBondContact N-O 3.21Å; I603-S605 PolarHBondContact O-N 3.2Å; I603-A875 HydrophobicContact CG2-CB 3.73Å |
| 604 | I | 87.6 | Confident | 84.7 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | trans | -85.9 | 103.8 | 178 | -59.3 | -59.5 | 0 | 0 | 0 | 109.6 | L592 F597 R602 Y641 A875 G876 H878 | L592-I604 HydrophobicContact CD1-CD1 4.28Å; L592-I604 HydrophobicContact CD1-CG2 4.12Å; L592-I604 HydrophobicContact CD2-CG2 4.41Å; F597-I604 HydrophobicContact CD2-CD1 3.99Å; F597-I604 HydrophobicContact CE2-CD1 4.03Å; R602-I604 HydrophobicContact CG-CD1 4.24Å; I604-Y641 HydrophobicContact CD1-CD1 3.84Å; I604-Y641 HydrophobicContact CD1-CD2 4.02Å; I604-Y641 HydrophobicContact CD1-CE1 3.99Å; I604-Y641 HydrophobicContact CD1-CE2 4.17Å; I604-Y641 HydrophobicContact CD1-CG 3.86Å; I604-Y641 HydrophobicContact CG1-CD2 4.38Å; I604-Y641 HydrophobicContact CG1-CE1 4.23Å; I604-Y641 HydrophobicContact CG1-CE2 4.05Å; I604-Y641 HydrophobicContact CG2-CE1 3.77Å; I604-A875 WeakPolarHBondContact O-CA 3.42Å; I604-A875 WeakPolarHBondContact O-CB 3.48Å; I604-G876 PolarHBondContact N-O 3.5Å; I604-H878 HydrophobicContact CD1-CB 4.33Å; I604-H878 HydrophobicContact CG1-CB 3.63Å | ||
| 605 | S | 86.4 | Confident | 84.6 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | trans | -118.6 | 129.6 | 177.8 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | L592 C593 I603 S616 H617 | L592-S605 WeakPolarHBondContact CD2-O 3.47Å; C593-S605 PolarHBondContact N-O 2.67Å; I603-S605 PolarHBondContact O-N 3.2Å; S605-S616 PolarHBondContact OG-N 2.98Å; S605-S616 VanDerWaalsContact OG-N 3.14Å; S605-S616 PolarHBondContact OG-OG 3.21Å; S605-H617 PolarHBondContact OG-N 3.33Å | ||
| 606 | K | 87.4 | Confident | 84.3 | Confident | 66 Ų | 66 | 49 Ų | 49 | 29% | 0.287 | 26% | 0.256 | S | S | . | . | trans | -91.4 | -171.6 | 175.2 | -56.9 | 173.7 | -168.7 | 174 | 0 | 109.5 | L592 C615 S616 E873 | L592-K606 HydrophobicContact CD2-CG 4.02Å; K606-C615 CarbonylContact O-C 3.55Å; K606-C615 WeakPolarHBondContact O-CA 3.34Å; K606-S616 PolarHBondContact N-OG 2.89Å; K606-S616 PolarHBondContact O-N 3.31Å; K606-S616 PolarHBondContact O-OG 3.02Å; K606-E873 IonicContact NZ-OE1 3.03Å; K606-E873 PolarHBondContact NZ-OE1 3.2Å; K606-E873 IonicContact NZ-OE2 2.6Å; K606-E873 PolarHBondContact NZ-OE2 3.02Å | ||
| 607 | T | 83.7 | Confident | 83.8 | Confident | 67 Ų | 67 | 50 Ų | 50 | 41% | 0.411 | 26% | 0.26 | S | S | . | . | B | Isolated β-bridge | trans | -61 | 143.8 | 157.2 | 48.9 | 0 | 0 | 0 | 0 | 110 | F624 | T607-F624 HydrophobicContact CG2-CD1 3.55Å; T607-F624 HydrophobicContact CG2-CD2 3.99Å; T607-F624 HydrophobicContact CG2-CE1 3.47Å; T607-F624 VanDerWaalsContact CG2-CE1 3.47Å; T607-F624 HydrophobicContact CG2-CE2 3.91Å; T607-F624 HydrophobicContact CG2-CG 3.82Å; T607-F624 HydrophobicContact CG2-CZ 3.66Å |
| 608 | N | 81.1 | Confident | 82.9 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | trans | -66.4 | 155.1 | 167.3 | -177.7 | 35.6 | 0 | 0 | 0 | 110.5 | D610 D611 L614 | N608-D610 PolarHBondContact ND2-OD2 3.41Å; N608-D610 PolarHBondContact OD1-OD2 2.87Å; N608-D611 WeakPolarHBondContact CB-O 3.07Å; N608-D611 PolarHBondContact ND2-N 2.96Å; N608-L614 WeakPolarHBondContact CB-O 3.3Å; N608-L614 PolarHBondContact N-O 3.29Å | ||
| 609 | K | 76.1 | Confident | 82.1 | Confident | 154 Ų | 154 | 56.9 Ų | 56.9 | 67% | 0.67 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -77.6 | -43.1 | 179.2 | -64.3 | 175.1 | -173.5 | 167.1 | 0 | 112 | E872 | K609-E872 IonicContact NZ-OE1 2.62Å; K609-E872 PolarHBondContact NZ-OE1 2.88Å |
| 610 | D | 76.6 | Confident | 81.6 | Confident | 138 Ų | 138 | 55.6 Ų | 55.6 | 74% | 0.738 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -82.7 | -26.7 | -171.8 | -33 | -63.4 | 0 | 0 | 0 | 112.5 | N608 | N608-D610 PolarHBondContact ND2-OD2 3.41Å; N608-D610 PolarHBondContact OD1-OD2 2.87Å |
| 611 | D | 79.6 | Confident | 81.3 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 33% | 0.326 | 32% | 0.316 | S | S | . | . | trans | -140.3 | 97.4 | 179.9 | -178.2 | -7.6 | 0 | 0 | 0 | 109.3 | N608 S613 L614 | N608-D611 WeakPolarHBondContact CB-O 3.07Å; N608-D611 PolarHBondContact ND2-N 2.96Å; D611-S613 VanDerWaalsContact CG-OG 3.3Å; D611-S613 PolarHBondContact O-N 2.91Å; D611-S613 VanDerWaalsContact O-N 3.13Å; D611-S613 WeakPolarHBondContact OD1-CB 3.39Å; D611-S613 PolarHBondContact OD1-N 2.72Å; D611-S613 PolarHBondContact OD1-OG 2.84Å; D611-S613 PolarHBondContact OD2-OG 2.88Å; D611-L614 PolarHBondContact O-N 3.1Å; D611-L614 VanDerWaalsContact O-N 3.13Å; D611-L614 VanDerWaalsContact OD2-CD1 3.32Å; D611-L614 WeakPolarHBondContact OD2-CD1 3.49Å | ||
| 612 | P | 80 | Confident | 81.3 | Confident | 88 Ų | 88 | 59.5 Ų | 59.5 | 57% | 0.571 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.7 | -179.4 | -25.5 | 35.8 | 0 | 0 | 0 | 114.8 | L614 | P612-L614 VanDerWaalsContact C-N 3.26Å; P612-L614 PolarHBondContact O-N 2.74Å |
| 613 | S | 82.6 | Confident | 81.3 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -16.6 | 177.1 | 75 | 0 | 0 | 0 | 0 | 113 | D611 D623 F624 | D611-S613 VanDerWaalsContact CG-OG 3.3Å; D611-S613 PolarHBondContact O-N 2.91Å; D611-S613 VanDerWaalsContact O-N 3.13Å; D611-S613 WeakPolarHBondContact OD1-CB 3.39Å; D611-S613 PolarHBondContact OD1-N 2.72Å; D611-S613 PolarHBondContact OD1-OG 2.84Å; D611-S613 PolarHBondContact OD2-OG 2.88Å; S613-D623 WeakPolarHBondContact O-CA 3.49Å; S613-F624 PolarHBondContact O-N 2.77Å |
| 614 | L | 85.7 | Confident | 81.3 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 23% | 0.225 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -111.7 | 153.2 | -177.4 | -64.7 | 179.4 | 0 | 0 | 0 | 112.2 | N608 D611 P612 K621 H622 | N608-L614 WeakPolarHBondContact CB-O 3.3Å; N608-L614 PolarHBondContact N-O 3.29Å; D611-L614 PolarHBondContact O-N 3.1Å; D611-L614 VanDerWaalsContact O-N 3.13Å; D611-L614 VanDerWaalsContact OD2-CD1 3.32Å; D611-L614 WeakPolarHBondContact OD2-CD1 3.49Å; P612-L614 VanDerWaalsContact C-N 3.26Å; P612-L614 PolarHBondContact O-N 2.74Å; L614-K621 HydrophobicContact CB-CB 4.32Å; L614-K621 HydrophobicContact CB-CD 4.4Å; L614-K621 HydrophobicContact CD1-CB 4.12Å; L614-K621 HydrophobicContact CD1-CD 3.83Å; L614-K621 HydrophobicContact CD2-CB 4.35Å; L614-H622 WeakPolarHBondContact CA-O 3.38Å |
| 615 | C | 84.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -78.5 | 153.1 | 174.1 | 78 | 0 | 0 | 0 | 0 | 112.8 | C593 K606 H617 H622 F624 | C593-C615 HydrophobicContact CB-CB 3.6Å; K606-C615 CarbonylContact O-C 3.55Å; K606-C615 WeakPolarHBondContact O-CA 3.34Å; C615-H617 PolarHBondContact O-N 3.18Å; C615-H617 VanDerWaalsContact SG-CB 3.56Å; C615-H622 PolarHBondContact N-O 3.01Å; C615-H622 PolarHBondContact SG-N 3.32Å; C615-F624 HydrophobicContact CB-CD2 4.13Å |
| 616 | S | 82.4 | Confident | 81.1 | Confident | 29 Ų | 29 | 69.3 Ų | 69.3 | 20% | 0.203 | 38% | 0.377 | C | S | . | . | trans | -74.3 | 28.6 | 179.2 | 76 | 0 | 0 | 0 | 0 | 114.7 | S605 K606 A875 | S605-S616 PolarHBondContact OG-N 2.98Å; S605-S616 VanDerWaalsContact OG-N 3.14Å; S605-S616 PolarHBondContact OG-OG 3.21Å; K606-S616 PolarHBondContact N-OG 2.89Å; K606-S616 PolarHBondContact O-N 3.31Å; K606-S616 PolarHBondContact O-OG 3.02Å; S616-A875 WeakPolarHBondContact O-CB 3.44Å | ||
| 617 | H | 78.6 | Confident | 81.1 | Confident | 22 Ų | 22 | 70.5 Ų | 70.5 | 10% | 0.102 | 38% | 0.384 | C | S | . | . | trans | -88.1 | 130.3 | -177.6 | -176 | -117.9 | 0 | 0 | 0 | 110.3 | S605 C615 V619 T620 | S605-H617 PolarHBondContact OG-N 3.33Å; C615-H617 PolarHBondContact O-N 3.18Å; C615-H617 VanDerWaalsContact SG-CB 3.56Å; H617-V619 PolarHBondContact O-N 3.46Å; H617-T620 WeakPolarHBondContact CB-O 3.28Å; H617-T620 PolarHBondContact CE1-OG1 2.92Å; H617-T620 VanDerWaalsContact CE1-OG1 3.22Å; H617-T620 PolarHBondContact ND1-N 3.36Å; H617-T620 PolarHBondContact ND1-O 2.72Å; H617-T620 PolarHBondContact ND1-OG1 2.97Å | ||
| 618 | P | 68 | Low | 81.4 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -73.5 | -20.5 | -166.3 | 26.9 | -36.9 | 0 | 0 | 0 | 115.4 | V874 | P618-V874 HydrophobicContact CB-CG1 3.84Å; P618-V874 HydrophobicContact CG-CG1 3.65Å |
| 619 | V | 70.3 | Confident | 81.9 | Confident | 126 Ų | 126 | 69.7 Ų | 69.7 | 76% | 0.764 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -108.7 | -65.3 | -175 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | H617 | H617-V619 PolarHBondContact O-N 3.46Š|
| 620 | T | 76.9 | Confident | 82.7 | Confident | 69 Ų | 69 | 62.4 Ų | 62.4 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | trans | -100.8 | 111.8 | 175.8 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | H617 H622 | H617-T620 WeakPolarHBondContact CB-O 3.28Å; H617-T620 PolarHBondContact CE1-OG1 2.92Å; H617-T620 VanDerWaalsContact CE1-OG1 3.22Å; H617-T620 PolarHBondContact ND1-N 3.36Å; H617-T620 PolarHBondContact ND1-O 2.72Å; H617-T620 PolarHBondContact ND1-OG1 2.97Å; T620-H622 WeakPolarHBondContact CB-NE2 3.45Å; T620-H622 PolarHBondContact OG1-CE1 3.48Å; T620-H622 PolarHBondContact OG1-NE2 2.87Å | ||
| 621 | K | 81.9 | Confident | 83.4 | Confident | 111 Ų | 111 | 55.9 Ų | 55.9 | 48% | 0.483 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 116.4 | 171.5 | -66.5 | -170 | -179.2 | -171 | 0 | 109 | L614 | L614-K621 HydrophobicContact CB-CB 4.32Å; L614-K621 HydrophobicContact CB-CD 4.4Å; L614-K621 HydrophobicContact CD1-CB 4.12Å; L614-K621 HydrophobicContact CD1-CD 3.83Å; L614-K621 HydrophobicContact CD2-CB 4.35Å |
| 622 | H | 84 | Confident | 84 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 19% | 0.185 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 147.8 | 174.7 | -45.8 | 128.5 | 0 | 0 | 0 | 109.6 | C596 L614 C615 T620 F624 | C596-H622 PolarHBondContact SG-ND1 3.07Å; C596-H622 VanDerWaalsContact SG-ND1 3.35Å; L614-H622 WeakPolarHBondContact CA-O 3.38Å; C615-H622 PolarHBondContact N-O 3.01Å; C615-H622 PolarHBondContact SG-N 3.32Å; T620-H622 WeakPolarHBondContact CB-NE2 3.45Å; T620-H622 PolarHBondContact OG1-CE1 3.48Å; T620-H622 PolarHBondContact OG1-NE2 2.87Å; H622-F624 PolarHBondContact O-N 2.93Å |
| 623 | D | 86.6 | Confident | 84.4 | Confident | 69 Ų | 69 | 49.3 Ų | 49.3 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -59.9 | 126.1 | 168 | 178.9 | -64.5 | 0 | 0 | 0 | 109.4 | S613 E625 T626 H627 | S613-D623 WeakPolarHBondContact O-CA 3.49Å; D623-E625 PolarHBondContact OD1-N 3.42Å; D623-E625 VanDerWaalsContact OD1-N 3.17Å; D623-T626 WeakPolarHBondContact CB-OG1 3.22Å; D623-T626 PolarHBondContact O-OG1 3.5Å; D623-T626 WeakPolarHBondContact OD1-CB 3.39Å; D623-T626 WeakPolarHBondContact OD1-CG2 3.31Å; D623-T626 PolarHBondContact OD1-N 3.41Å; D623-T626 PolarHBondContact OD1-OG1 3.29Å; D623-H627 WeakPolarHBondContact O-CB 3.25Å; D623-H627 PolarHBondContact O-ND1 3.03Å |
| 624 | F | 87.3 | Confident | 84.5 | Confident | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -39.3 | -171 | -172.9 | -86.6 | 0 | 0 | 0 | 112.7 | F591 C593 T607 S613 C615 H622 H627 K628 | F591-F624 HydrophobicContact CB-CE1 4.03Å; F591-F624 HydrophobicContact CB-CZ 3.85Å; C593-F624 HydrophobicContact CB-CD2 4.2Å; C593-F624 HydrophobicContact CB-CE2 4.35Å; T607-F624 HydrophobicContact CG2-CD1 3.55Å; T607-F624 HydrophobicContact CG2-CD2 3.99Å; T607-F624 HydrophobicContact CG2-CE1 3.47Å; T607-F624 VanDerWaalsContact CG2-CE1 3.47Å; T607-F624 HydrophobicContact CG2-CE2 3.91Å; T607-F624 HydrophobicContact CG2-CG 3.82Å; T607-F624 HydrophobicContact CG2-CZ 3.66Å; S613-F624 PolarHBondContact O-N 2.77Å; C615-F624 HydrophobicContact CB-CD2 4.13Å; H622-F624 PolarHBondContact O-N 2.93Å; F624-H627 CarbonylContact O-C 3.53Å; F624-H627 PolarHBondContact O-N 3.09Å; F624-K628 HydrophobicContact CD1-CB 4.43Å; F624-K628 HydrophobicContact CE1-CB 4.09Å; F624-K628 WeakPolarHBondContact O-CA 3.43Å; F624-K628 VanDerWaalsContact O-CB 3.31Å; F624-K628 WeakPolarHBondContact O-CB 3.25Å; F624-K628 PolarHBondContact O-N 3.49Å |
| 625 | E | 84.2 | Confident | 84.2 | Confident | 113 Ų | 113 | 53.8 Ų | 53.8 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -33.5 | -175.4 | -76.3 | -66.4 | 163.2 | 0 | 0 | 112.2 | D623 K628 | D623-E625 PolarHBondContact OD1-N 3.42Å; D623-E625 VanDerWaalsContact OD1-N 3.17Å; E625-K628 WeakPolarHBondContact O-CE 3.39Å; E625-K628 WeakPolarHBondContact OE2-CD 3.21Å; E625-K628 VanDerWaalsContact OE2-CE 3.27Å; E625-K628 WeakPolarHBondContact OE2-CE 3.36Å; E625-K628 IonicContact OE2-NZ 2.7Å; E625-K628 PolarHBondContact OE2-NZ 3.38Å |
| 626 | T | 85.8 | Confident | 83.7 | Confident | 98 Ų | 98 | 58.1 Ų | 58.1 | 60% | 0.601 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -32.6 | 172.5 | 53.5 | 0 | 0 | 0 | 0 | 113 | D623 | D623-T626 WeakPolarHBondContact CB-OG1 3.22Å; D623-T626 PolarHBondContact O-OG1 3.5Å; D623-T626 WeakPolarHBondContact OD1-CB 3.39Å; D623-T626 WeakPolarHBondContact OD1-CG2 3.31Å; D623-T626 PolarHBondContact OD1-N 3.41Å; D623-T626 PolarHBondContact OD1-OG1 3.29Å |
| 627 | H | 86.2 | Confident | 83 | Confident | 91 Ų | 91 | 65 Ų | 65 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -114.9 | 22.3 | -173.9 | -60.3 | 87 | 0 | 0 | 0 | 114.3 | G594 V595 D623 F624 C629 | G594-H627 WeakPolarHBondContact CA-O 3.21Å; G594-H627 PolarHBondContact N-O 3.32Å; V595-H627 HydrophobicContact CG2-CB 4.03Å; V595-H627 VanDerWaalsContact CG2-CD2 3.43Å; V595-H627 WeakPolarHBondContact CG2-CD2 3.38Å; D623-H627 WeakPolarHBondContact O-CB 3.25Å; D623-H627 PolarHBondContact O-ND1 3.03Å; F624-H627 CarbonylContact O-C 3.53Å; F624-H627 PolarHBondContact O-N 3.09Å; H627-C629 PolarHBondContact O-N 3.24Å |
| 628 | K | 90.1 | Very high | 82.6 | Confident | 61 Ų | 61 | 66.8 Ų | 66.8 | 27% | 0.265 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 128.9 | 176.5 | 59.4 | -171.9 | 169.6 | -180 | 0 | 111.5 | F591 L592 F624 E625 E693 | F591-K628 HydrophobicContact CB-CB 4.27Å; F591-K628 HydrophobicContact CD1-CB 3.87Å; F591-K628 HydrophobicContact CD1-CD 4.09Å; F591-K628 HydrophobicContact CD1-CG 4.07Å; F591-K628 HydrophobicContact CE1-CD 4.06Å; F591-K628 HydrophobicContact CE1-CG 4.21Å; F591-K628 HydrophobicContact CG-CB 4.26Å; F591-K628 HydrophobicContact CG-CD 4.37Å; F591-K628 HydrophobicContact CZ-CD 4.31Å; L592-K628 WeakPolarHBondContact O-CA 3.4Å; F624-K628 HydrophobicContact CD1-CB 4.43Å; F624-K628 HydrophobicContact CE1-CB 4.09Å; F624-K628 WeakPolarHBondContact O-CA 3.43Å; F624-K628 VanDerWaalsContact O-CB 3.31Å; F624-K628 WeakPolarHBondContact O-CB 3.25Å; F624-K628 PolarHBondContact O-N 3.49Å; E625-K628 WeakPolarHBondContact O-CE 3.39Å; E625-K628 WeakPolarHBondContact OE2-CD 3.21Å; E625-K628 VanDerWaalsContact OE2-CE 3.27Å; E625-K628 WeakPolarHBondContact OE2-CE 3.36Å; E625-K628 IonicContact OE2-NZ 2.7Å; E625-K628 PolarHBondContact OE2-NZ 3.38Å; K628-E693 WeakPolarHBondContact CE-OE1 3.38Å; K628-E693 IonicContact NZ-OE1 2.88Å; K628-E693 PolarHBondContact NZ-OE1 3.04Å |
| 629 | C | 91.6 | Very high | 83.1 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 8% | 0.081 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.9 | 167.5 | 65.1 | 0 | 0 | 0 | 0 | 110 | F591 L592 H627 V631 | F591-C629 WeakPolarHBondContact CA-O 3.35Å; L592-C629 PolarHBondContact N-O 3.02Å; L592-C629 PolarHBondContact O-N 3.31Å; L592-C629 PolarHBondContact O-SG 3.04Å; H627-C629 PolarHBondContact O-N 3.24Å; C629-V631 VanDerWaalsContact SG-CG2 3.59Å |
| 630 | L | 93.8 | Very high | 83.6 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 129.3 | 171.8 | -179.4 | 61.5 | 0 | 0 | 0 | 108.7 | F589 F591 I644 H692 I695 V696 | F589-L630 HydrophobicContact CB-CD1 4.23Å; F591-L630 HydrophobicContact CE1-CB 4.32Å; F591-L630 HydrophobicContact CE1-CD1 4.49Å; L630-I644 HydrophobicContact CB-CB 4.31Å; L630-I644 HydrophobicContact CD2-CB 4.2Å; L630-I644 HydrophobicContact CD2-CG2 3.94Å; L630-I644 HydrophobicContact CG-CB 4.14Å; L630-I644 HydrophobicContact CG-CD1 4.44Å; L630-I644 HydrophobicContact CG-CG2 4.42Å; L630-I644 PolarHBondContact O-N 2.85Å; L630-H692 HydrophobicContact CB-CB 4.35Å; L630-H692 HydrophobicContact CD2-CB 4.06Å; L630-I695 HydrophobicContact CD2-CD1 4.34Å; L630-I695 HydrophobicContact CD2-CG2 4.33Å; L630-V696 HydrophobicContact CD1-CG2 3.46Å; L630-V696 VanDerWaalsContact CD1-CG2 3.46Å |
| 631 | V | 92 | Very high | 84 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.7 | -177.8 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | M590 L592 F597 C629 I633 Y641 S642 | M590-V631 PolarHBondContact N-O 2.76Å; M590-V631 PolarHBondContact O-N 3.3Å; L592-V631 HydrophobicContact CB-CG2 4.24Å; L592-V631 HydrophobicContact CD1-CB 4.13Å; L592-V631 HydrophobicContact CD1-CG1 4.1Å; L592-V631 HydrophobicContact CD1-CG2 4.06Å; L592-V631 HydrophobicContact CG-CB 4.43Å; L592-V631 HydrophobicContact CG-CG2 4.31Å; F597-V631 HydrophobicContact CD2-CG2 4.17Å; F597-V631 HydrophobicContact CE2-CG1 4Å; F597-V631 HydrophobicContact CE2-CG2 3.97Å; F597-V631 HydrophobicContact CZ-CG1 4.42Å; F597-V631 HydrophobicContact CZ-CG2 4.41Å; C629-V631 VanDerWaalsContact SG-CG2 3.59Å; V631-I633 HydrophobicContact CG1-CG1 4.16Å; V631-Y641 HydrophobicContact CG1-CD1 4.09Å; V631-S642 WeakPolarHBondContact CA-O 3.27Å |
| 632 | H | 91.5 | Very high | 84.3 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 130.8 | 164.4 | 176.5 | -109.2 | 0 | 0 | 0 | 109.8 | R586 I588 F589 Y641 S642 I644 I677 | R586-H632 PolarHBondContact O-NE2 3.23Å; I588-H632 WeakPolarHBondContact O-CA 3.45Å; F589-H632 HydrophobicContact CD1-CB 4.06Å; F589-H632 HydrophobicContact CE1-CB 3.98Å; F589-H632 AromaticContact CE1-CD2 3.91Å; H632-Y641 WeakPolarHBondContact O-CA 3.3Å; H632-S642 PolarHBondContact N-O 3.05Å; H632-S642 PolarHBondContact O-N 3.06Å; H632-I644 HydrophobicContact CB-CD1 3.92Å; H632-I677 HydrophobicContact CB-CD1 4.18Å; H632-I677 HydrophobicContact CB-CG2 4.37Å; H632-I677 WeakPolarHBondContact CD2-CD1 3.49Å |
| 633 | I | 87.8 | Confident | 84.6 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 110.6 | -179.5 | -48.7 | 177.7 | 0 | 0 | 0 | 108.5 | G587 I588 M590 V631 R635 V639 R640 Y641 | G587-I633 CarbonylContact C-O 3.57Å; G587-I633 WeakPolarHBondContact CA-O 3.28Å; I588-I633 HydrophobicContact CD1-CD1 4.5Å; I588-I633 HydrophobicContact CG1-CB 3.89Å; I588-I633 HydrophobicContact CG1-CD1 4.48Å; I588-I633 HydrophobicContact CG1-CG1 4.47Å; I588-I633 PolarHBondContact N-O 3.39Å; I588-I633 PolarHBondContact O-N 3.36Å; M590-I633 HydrophobicContact CB-CD1 3.88Å; M590-I633 HydrophobicContact CG-CD1 4.37Å; M590-I633 HydrophobicContact SD-CD1 3.93Å; V631-I633 HydrophobicContact CG1-CG1 4.16Å; I633-R635 HydrophobicContact CG2-CG 4.34Å; I633-V639 HydrophobicContact CG2-CG1 3.63Å; I633-R640 WeakPolarHBondContact CA-O 3.42Å; I633-Y641 HydrophobicContact CD1-CD1 4.06Å; I633-Y641 HydrophobicContact CD1-CE1 3.83Å; I633-Y641 HydrophobicContact CG1-CD1 3.78Å; I633-Y641 HydrophobicContact CG1-CE1 4.01Å; I633-Y641 HydrophobicContact CG2-CD1 4.18Å; I633-Y641 HydrophobicContact CG2-CE1 3.99Å |
| 634 | L | 84.8 | Confident | 84.9 | Confident | 26 Ų | 26 | 56.7 Ų | 56.7 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.8 | 173.1 | -175.7 | 58.5 | 0 | 0 | 0 | 109.6 | R586 D636 V639 R640 | R586-L634 HydrophobicContact CB-CD1 4.02Å; L634-D636 WeakPolarHBondContact CD2-OD2 3.4Å; L634-D636 WeakPolarHBondContact CG-OD2 3.49Å; L634-V639 WeakPolarHBondContact O-CA 3.49Å; L634-R640 VanDerWaalsContact CD2-NH2 3.31Å; L634-R640 PolarHBondContact N-O 2.79Å; L634-R640 PolarHBondContact O-N 3.25Å |
| 635 | R | 79.9 | Confident | 85.1 | Confident | 164 Ų | 164 | 57.1 Ų | 57.1 | 62% | 0.619 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 90.2 | -177 | -65.1 | -176.6 | 179.3 | -172.1 | -1 | 109.7 | I633 V639 | I633-R635 HydrophobicContact CG2-CG 4.34Å; R635-V639 HydrophobicContact CG-CG1 4.25Å; R635-V639 HydrophobicContact CG-CG2 4.36Å |
| 636 | D | 73.6 | Confident | 85.2 | Confident | 91 Ų | 91 | 56 Ų | 56 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -101.5 | -145.6 | 170.9 | -56.1 | -47.3 | 0 | 0 | 0 | 108.3 | L634 T638 R640 | L634-D636 WeakPolarHBondContact CD2-OD2 3.4Å; L634-D636 WeakPolarHBondContact CG-OD2 3.49Å; D636-T638 PolarHBondContact N-O 2.94Å; D636-T638 VanDerWaalsContact N-O 3.11Å; D636-T638 PolarHBondContact O-N 3.42Å; D636-R640 IonicContact OD2-NH2 3.19Å; D636-R640 PolarHBondContact OD2-NH2 2.85Å; D636-R640 VanDerWaalsContact OD2-NH2 3.16Å |
| 637 | N | 68.8 | Low | 85.2 | Confident | 175 Ų | 175 | 53.8 Ų | 53.8 | 94% | 0.936 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -60.2 | -11.6 | 166.7 | -69.1 | -13.7 | 0 | 0 | 0 | 113.9 | ||
| 638 | T | 70 | Confident | 85 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 36% | 0.362 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -142.4 | 158.5 | 172.2 | 61 | 0 | 0 | 0 | 0 | 108.7 | D636 | D636-T638 PolarHBondContact N-O 2.94Å; D636-T638 VanDerWaalsContact N-O 3.11Å; D636-T638 PolarHBondContact O-N 3.42Å |
| 639 | V | 79.2 | Confident | 84.2 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.7 | 177.9 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | I633 L634 R635 Y641 H878 G883 | I633-V639 HydrophobicContact CG2-CG1 3.63Å; L634-V639 WeakPolarHBondContact O-CA 3.49Å; R635-V639 HydrophobicContact CG-CG1 4.25Å; R635-V639 HydrophobicContact CG-CG2 4.36Å; V639-Y641 HydrophobicContact CB-CE2 4.08Å; V639-Y641 HydrophobicContact CG1-CD2 4.09Å; V639-Y641 HydrophobicContact CG1-CE1 4.47Å; V639-Y641 HydrophobicContact CG1-CE2 3.45Å; V639-Y641 VanDerWaalsContact CG1-CE2 3.45Å; V639-H878 PolarHBondContact O-CE1 2.99Å; V639-G883 PolarHBondContact N-O 3.16Å; V639-G883 WeakPolarHBondContact O-CA 3.29Å |
| 640 | R | 79.4 | Confident | 83.1 | Confident | 129 Ų | 129 | 61.2 Ų | 61.2 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.2 | 175.2 | -68.7 | -172.9 | -74.3 | 167.7 | -7.1 | 110.1 | I633 L634 D636 | I633-R640 WeakPolarHBondContact CA-O 3.42Å; L634-R640 VanDerWaalsContact CD2-NH2 3.31Å; L634-R640 PolarHBondContact N-O 2.79Å; L634-R640 PolarHBondContact O-N 3.25Å; D636-R640 IonicContact OD2-NH2 3.19Å; D636-R640 PolarHBondContact OD2-NH2 2.85Å; D636-R640 VanDerWaalsContact OD2-NH2 3.16Å |
| 641 | Y | 86.1 | Confident | 82.1 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 13% | 0.125 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 114.5 | -179.9 | -62 | -101.3 | 0 | 0 | 0 | 109.9 | L592 I604 V631 H632 I633 V639 H878 | L592-Y641 HydrophobicContact CD1-CD1 3.89Å; L592-Y641 HydrophobicContact CD1-CE1 4.12Å; I604-Y641 HydrophobicContact CD1-CD1 3.84Å; I604-Y641 HydrophobicContact CD1-CD2 4.02Å; I604-Y641 HydrophobicContact CD1-CE1 3.99Å; I604-Y641 HydrophobicContact CD1-CE2 4.17Å; I604-Y641 HydrophobicContact CD1-CG 3.86Å; I604-Y641 HydrophobicContact CG1-CD2 4.38Å; I604-Y641 HydrophobicContact CG1-CE1 4.23Å; I604-Y641 HydrophobicContact CG1-CE2 4.05Å; I604-Y641 HydrophobicContact CG2-CE1 3.77Å; V631-Y641 HydrophobicContact CG1-CD1 4.09Å; H632-Y641 WeakPolarHBondContact O-CA 3.3Å; I633-Y641 HydrophobicContact CD1-CD1 4.06Å; I633-Y641 HydrophobicContact CD1-CE1 3.83Å; I633-Y641 HydrophobicContact CG1-CD1 3.78Å; I633-Y641 HydrophobicContact CG1-CE1 4.01Å; I633-Y641 HydrophobicContact CG2-CD1 4.18Å; I633-Y641 HydrophobicContact CG2-CE1 3.99Å; V639-Y641 HydrophobicContact CB-CE2 4.08Å; V639-Y641 HydrophobicContact CG1-CD2 4.09Å; V639-Y641 HydrophobicContact CG1-CE1 4.47Å; V639-Y641 HydrophobicContact CG1-CE2 3.45Å; V639-Y641 VanDerWaalsContact CG1-CE2 3.45Å; Y641-H878 AromaticContact CD2-CE1 3.47Å; Y641-H878 VanDerWaalsContact CD2-CE1 3.47Å; Y641-H878 WeakPolarHBondContact CD2-CE1 3.44Å; Y641-H878 AromaticContact CD2-ND1 3.97Å; Y641-H878 AromaticContact CD2-NE2 3.56Å; Y641-H878 AromaticContact CE2-CE1 3.58Å; Y641-H878 AromaticContact CE2-ND1 3.74Å |
| 642 | S | 88.3 | Confident | 81 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.3 | 178.8 | -57.6 | 0 | 0 | 0 | 0 | 109.6 | V631 H632 | V631-S642 WeakPolarHBondContact CA-O 3.27Å; H632-S642 PolarHBondContact N-O 3.05Å; H632-S642 PolarHBondContact O-N 3.06Å |
| 643 | K | 90.9 | Very high | 80 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 17% | 0.17 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 143.7 | 172.1 | -160 | 178.6 | -172.7 | 177 | 0 | 109.5 | F597 D598 R645 D668 | F597-K643 HydrophobicContact CD1-CB 4.46Å; F597-K643 HydrophobicContact CD1-CD 4.19Å; F597-K643 HydrophobicContact CD1-CG 4.43Å; F597-K643 HydrophobicContact CE1-CB 3.73Å; F597-K643 HydrophobicContact CE1-CD 4.2Å; F597-K643 HydrophobicContact CE1-CG 4.18Å; F597-K643 HydrophobicContact CZ-CB 4.22Å; D598-K643 IonicContact OD1-NZ 2.98Å; D598-K643 PolarHBondContact OD1-NZ 3.1Å; D598-K643 IonicContact OD2-NZ 2.74Å; D598-K643 PolarHBondContact OD2-NZ 2.98Å; K643-R645 HydrophobicContact CD-CG 4.36Å; K643-R645 HydrophobicContact CG-CG 4.5Å; K643-D668 WeakPolarHBondContact CE-OD1 3.41Å; K643-D668 IonicContact NZ-OD1 2.98Å; K643-D668 PolarHBondContact NZ-OD1 3.15Å; K643-D668 IonicContact NZ-OD2 3.49Å; K643-D668 PolarHBondContact NZ-OD2 3.17Å |
| 644 | I | 92.5 | Very high | 78.6 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 105.3 | 172.5 | -64.5 | 165.3 | 0 | 0 | 0 | 105.7 | F589 L630 H632 I677 E678 V681 | F589-I644 HydrophobicContact CD1-CD1 3.85Å; F589-I644 HydrophobicContact CE1-CD1 3.49Å; F589-I644 VanDerWaalsContact CE1-CD1 3.49Å; L630-I644 HydrophobicContact CB-CB 4.31Å; L630-I644 HydrophobicContact CD2-CB 4.2Å; L630-I644 HydrophobicContact CD2-CG2 3.94Å; L630-I644 HydrophobicContact CG-CB 4.14Å; L630-I644 HydrophobicContact CG-CD1 4.44Å; L630-I644 HydrophobicContact CG-CG2 4.42Å; L630-I644 PolarHBondContact O-N 2.85Å; H632-I644 HydrophobicContact CB-CD1 3.92Å; I644-I677 HydrophobicContact CD1-CG1 4.45Å; I644-E678 HydrophobicContact CG1-CB 4.37Å; I644-E678 HydrophobicContact CG2-CG 4.33Å; I644-V681 HydrophobicContact CD1-CG2 4.3Å; I644-V681 HydrophobicContact CG2-CB 4.09Å; I644-V681 HydrophobicContact CG2-CG1 3.78Å |
| 645 | R | 91 | Very high | 77.6 | Confident | 16 Ų | 16 | 70.5 Ų | 70.5 | 6% | 0.06 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 152.9 | -179.1 | -62.9 | 165.6 | -63.7 | 144.3 | -0.2 | 109.7 | K643 D668 C670 Y672 E678 W682 | K643-R645 HydrophobicContact CD-CG 4.36Å; K643-R645 HydrophobicContact CG-CG 4.5Å; R645-D668 WeakPolarHBondContact CD-OD1 3.44Å; R645-D668 WeakPolarHBondContact CG-OD1 3.25Å; R645-D668 PolarHBondContact NH1-O 2.75Å; R645-C670 PolarHBondContact NH1-O 3.28Å; R645-Y672 PolarHBondContact NH2-O 3.38Å; R645-E678 WeakPolarHBondContact CB-OE1 3.46Å; R645-E678 WeakPolarHBondContact CG-OE1 3.34Å; R645-E678 IonicContact CZ-OE1 3.95Å; R645-E678 IonicContact CZ-OE2 3.66Å; R645-E678 PolarHBondContact N-OE1 3.02Å; R645-E678 IonicContact NE-OE1 2.7Å; R645-E678 PolarHBondContact NE-OE1 3.21Å; R645-E678 IonicContact NE-OE2 3.16Å; R645-E678 PolarHBondContact NE-OE2 2.91Å; R645-E678 IonicContact NH2-OE1 2.85Å; R645-E678 IonicContact NH2-OE2 2.68Å; R645-E678 PolarHBondContact NH2-OE2 2.92Å; R645-W682 HydrophobicContact CB-CZ2 4.39Å; R645-W682 PolarHBondContact O-NE1 3.02Å |
| 646 | P | 87.1 | Confident | 77 | Confident | 91 Ų | 91 | 62.8 Ų | 62.8 | 59% | 0.591 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -58 | 141.2 | 174.6 | -21.4 | 33 | 0 | 0 | 0 | 111.6 | S648 | P646-S648 PolarHBondContact O-N 2.95Š|
| 647 | L | 85.3 | Confident | 76.4 | Confident | 50 Ų | 50 | 64.8 Ų | 64.8 | 26% | 0.262 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 121 | 166.9 | 179.7 | 70.4 | 0 | 0 | 0 | 109.4 | L653 W682 Q685 H686 | L647-L653 HydrophobicContact CD1-CD2 4.25Å; L647-W682 HydrophobicContact CD1-CB 3.99Å; L647-W682 HydrophobicContact CD1-CD2 4.27Å; L647-W682 HydrophobicContact CD1-CG 4.03Å; L647-Q685 HydrophobicContact CB-CB 4.23Å; L647-Q685 HydrophobicContact CD2-CB 3.9Å; L647-H686 HydrophobicContact CD2-CB 3.87Å |
| 648 | S | 81.2 | Confident | 75.9 | Confident | 47 Ų | 47 | 62 Ų | 62 | 33% | 0.329 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -102.4 | 158.7 | 175.5 | 80.1 | 0 | 0 | 0 | 0 | 111.1 | P646 Q650 S651 | P646-S648 PolarHBondContact O-N 2.95Å; S648-Q650 PolarHBondContact O-N 2.87Å; S648-Q650 VanDerWaalsContact O-N 3.07Å; S648-Q650 PolarHBondContact OG-N 3.48Å; S648-S651 PolarHBondContact N-OG 3.32Å; S648-S651 VanDerWaalsContact O-CB 3.28Å; S648-S651 WeakPolarHBondContact O-CB 3.33Å; S648-S651 PolarHBondContact O-N 3.03Å; S648-S651 PolarHBondContact O-OG 3.4Å; S648-S651 PolarHBondContact OG-N 2.67Å; S648-S651 VanDerWaalsContact OG-N 3.07Å; S648-S651 PolarHBondContact OG-OG 3.08Å |
| 649 | P | 72.8 | Confident | 75.8 | Confident | 145 Ų | 145 | 61.8 Ų | 61.8 | 94% | 0.942 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -12.7 | 172 | -23 | 34.7 | 0 | 0 | 0 | 114.5 | ||
| 650 | Q | 69.7 | Low | 74.4 | Confident | 128 Ų | 128 | 65.8 Ų | 65.8 | 60% | 0.598 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -3.7 | 177.7 | -61.4 | 175.7 | -0.7 | 0 | 0 | 112.2 | S648 Q652 F671 | S648-Q650 PolarHBondContact O-N 2.87Å; S648-Q650 VanDerWaalsContact O-N 3.07Å; S648-Q650 PolarHBondContact OG-N 3.48Å; Q650-Q652 PolarHBondContact O-N 2.72Å; Q650-F671 HydrophobicContact CB-CD1 3.83Å; Q650-F671 HydrophobicContact CB-CE1 3.86Å |
| 651 | S | 73.4 | Confident | 72.9 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | trans | -72 | 125.9 | -178.5 | -68.9 | 0 | 0 | 0 | 0 | 111.5 | S648 F671 | S648-S651 PolarHBondContact N-OG 3.32Å; S648-S651 VanDerWaalsContact O-CB 3.28Å; S648-S651 WeakPolarHBondContact O-CB 3.33Å; S648-S651 PolarHBondContact O-N 3.03Å; S648-S651 PolarHBondContact O-OG 3.4Å; S648-S651 PolarHBondContact OG-N 2.67Å; S648-S651 VanDerWaalsContact OG-N 3.07Å; S648-S651 PolarHBondContact OG-OG 3.08Å; S651-F671 CarbonylContact C-O 3.56Å; S651-F671 WeakPolarHBondContact CA-O 3.22Å | ||
| 652 | Q | 68.5 | Low | 71.4 | Confident | 90 Ų | 90 | 64.4 Ų | 64.4 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 132.1 | 173.2 | -61.3 | -62.3 | -45.2 | 0 | 0 | 109.7 | Q650 D654 F671 Y672 | Q650-Q652 PolarHBondContact O-N 2.72Å; Q652-D654 PolarHBondContact O-N 3.04Å; Q652-F671 HydrophobicContact CG-CB 4.34Å; Q652-F671 PolarHBondContact N-O 2.64Å; Q652-Y672 HydrophobicContact CB-CD1 3.67Å; Q652-Y672 HydrophobicContact CB-CE1 3.51Å; Q652-Y672 HydrophobicContact CG-CD1 4.49Å; Q652-Y672 HydrophobicContact CG-CE1 3.98Å |
| 653 | L | 69.3 | Low | 70.2 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 23% | 0.225 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 44.7 | -178.8 | -58.8 | 177.2 | 0 | 0 | 0 | 112.8 | L450 L647 L679 W682 M683 H686 | L450-L653 HydrophobicContact CD1-CB 4.26Å; L450-L653 WeakPolarHBondContact CD1-O 3.42Å; L647-L653 HydrophobicContact CD1-CD2 4.25Å; L653-L679 VanDerWaalsContact C-CD1 3.45Å; L653-L679 HydrophobicContact CB-CD1 4.11Å; L653-L679 WeakPolarHBondContact O-CD1 3.26Å; L653-W682 HydrophobicContact CD2-CB 3.7Å; L653-W682 HydrophobicContact CD2-CE3 4.49Å; L653-M683 HydrophobicContact CD1-CG 4.38Å; L653-M683 HydrophobicContact CD2-CG 4.37Å; L653-H686 HydrophobicContact CD1-CB 4.39Å |
| 654 | D | 59.4 | Low | 69.3 | Low | 33 Ų | 33 | 61.5 Ų | 61.5 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 163 | 171.8 | -175.7 | 21.2 | 0 | 0 | 0 | 109.8 | Q652 R657 Y672 A673 | Q652-D654 PolarHBondContact O-N 3.04Å; D654-R657 IonicContact OD2-CZ 2.72Å; D654-R657 IonicContact OD2-NE 3.31Å; D654-R657 IonicContact OD2-NH2 3.65Å; D654-R657 PolarHBondContact OD2-NH2 2.94Å; D654-Y672 HydrophobicContact CB-CD1 3.95Å; D654-Y672 HydrophobicContact CB-CE1 4.16Å; D654-Y672 WeakPolarHBondContact O-CB 3.33Å; D654-A673 PolarHBondContact O-N 2.87Å |
| 655 | L | 63.4 | Low | 68.2 | Low | 47 Ų | 47 | 67.4 Ų | 67.4 | 25% | 0.246 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 140.9 | 179.4 | -67.2 | 176 | 0 | 0 | 0 | 112.7 | R657 A673 L676 L679 | L655-R657 PolarHBondContact O-N 2.65Å; L655-A673 CarbonylContact C-O 3.6Å; L655-A673 WeakPolarHBondContact CA-O 3.49Å; L655-A673 HydrophobicContact CD2-CB 4.25Å; L655-L676 HydrophobicContact CD1-CD2 3.88Å; L655-L676 HydrophobicContact CD1-CG 4.27Å; L655-L679 HydrophobicContact CD2-CB 4.08Å; L655-L679 HydrophobicContact CD2-CD2 3.96Å; L655-L679 HydrophobicContact CG-CD2 3.98Å |
| 656 | C | 67.1 | Low | 67.4 | Low | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.014 | 38% | 0.378 | C | S | . | . | trans | -69.5 | 100.9 | 176.2 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | H658 E659 V660 C664 C670 A673 H674 | C656-H658 PolarHBondContact O-N 2.85Å; C656-H658 VanDerWaalsContact O-N 3.07Å; C656-E659 HydrophobicContact CB-CB 4.17Å; C656-E659 PolarHBondContact O-N 3.27Å; C656-V660 PolarHBondContact O-N 2.7Å; C656-C664 VanDerWaalsContact SG-SG 3.62Å; C656-C670 VanDerWaalsContact SG-SG 3.6Å; C656-A673 PolarHBondContact N-O 3.31Å; C656-H674 VanDerWaalsContact CB-CD2 3.47Å; C656-H674 WeakPolarHBondContact CB-CD2 3.48Å | ||
| 657 | R | 61.6 | Low | 67.1 | Low | 133 Ų | 133 | 72.6 Ų | 72.6 | 50% | 0.502 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56.9 | -24.2 | 177.6 | -56.7 | 177.9 | -164.5 | -167.6 | 3.7 | 113.2 | R555 K556 D654 L655 | R555-R657 PolarHBondContact O-NH1 3.4Å; R555-R657 VanDerWaalsContact O-NH1 3.13Å; K556-R657 PolarHBondContact O-NH2 3.1Å; D654-R657 IonicContact OD2-CZ 2.72Å; D654-R657 IonicContact OD2-NE 3.31Å; D654-R657 IonicContact OD2-NH2 3.65Å; D654-R657 PolarHBondContact OD2-NH2 2.94Å; L655-R657 PolarHBondContact O-N 2.65Å |
| 658 | H | 58 | Low | 67 | Low | 118 Ų | 118 | 73.7 Ų | 73.7 | 55% | 0.546 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -78.4 | -39.9 | 175.6 | -61.6 | 103.1 | 0 | 0 | 0 | 112.6 | C656 V660 R661 Y662 G663 | C656-H658 PolarHBondContact O-N 2.85Å; C656-H658 VanDerWaalsContact O-N 3.07Å; H658-V660 PolarHBondContact O-N 2.98Å; H658-R661 PolarHBondContact O-N 2.83Å; H658-Y662 CarbonylContact O-C 3.52Å; H658-Y662 PolarHBondContact O-N 3.09Å; H658-G663 CarbonylContact O-C 3.51Å; H658-G663 PolarHBondContact O-N 2.93Å |
| 659 | E | 66.9 | Low | 67 | Low | 54 Ų | 54 | 77.6 Ų | 77.6 | 25% | 0.252 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 179.6 | -170.9 | 57.6 | -137.2 | 0 | 0 | 111.4 | C656 R661 G663 C664 H674 K966 | C656-E659 HydrophobicContact CB-CB 4.17Å; C656-E659 PolarHBondContact O-N 3.27Å; E659-R661 VanDerWaalsContact C-N 3.27Å; E659-R661 PolarHBondContact O-N 2.91Å; E659-G663 PolarHBondContact O-N 2.93Å; E659-G663 WeakPolarHBondContact OE2-CA 3.5Å; E659-C664 HydrophobicContact CB-CB 4.22Å; E659-C664 WeakPolarHBondContact OE2-CB 3.48Å; E659-C664 PolarHBondContact OE2-N 3.25Å; E659-H674 HydrophobicContact CG-CB 4.2Å; E659-K966 IonicContact OE1-NZ 3.77Å; E659-K966 PolarHBondContact OE1-NZ 2.91Å; E659-K966 IonicContact OE2-NZ 3.43Å |
| 660 | V | 51.3 | Low | 67.3 | Low | 122 Ų | 122 | 71.1 Ų | 71.1 | 74% | 0.739 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.9 | -30.2 | -179.4 | -176.7 | 0 | 0 | 0 | 0 | 112.9 | C656 H658 | C656-V660 PolarHBondContact O-N 2.7Å; H658-V660 PolarHBondContact O-N 2.98Å |
| 661 | R | 47.4 | Very low | 67.6 | Low | 75 Ų | 75 | 68.5 Ų | 68.5 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -103.7 | -35.4 | -172.6 | -161.4 | 175.1 | 176.1 | 116.1 | 4.3 | 114.3 | T513 K514 H658 E659 | T513-R661 PolarHBondContact O-NH1 2.82Å; K514-R661 PolarHBondContact O-NH2 2.75Å; H658-R661 PolarHBondContact O-N 2.83Å; E659-R661 VanDerWaalsContact C-N 3.27Å; E659-R661 PolarHBondContact O-N 2.91Å |
| 662 | Y | 54.8 | Low | 67.7 | Low | 57 Ų | 57 | 72.1 Ų | 72.1 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -142 | -14.2 | -170.8 | -52.6 | -62.3 | 0 | 0 | 0 | 114.4 | Q516 H658 F959 M962 | Q516-Y662 PolarHBondContact NE2-OH 2.79Å; H658-Y662 CarbonylContact O-C 3.52Å; H658-Y662 PolarHBondContact O-N 3.09Å; Y662-F959 AromaticContact CD1-CD2 3.87Å; Y662-F959 HydrophobicContact CD1-CD2 3.87Å; Y662-F959 HydrophobicContact CD1-CE2 4.05Å; Y662-F959 AromaticContact CE1-CD2 3.7Å; Y662-F959 HydrophobicContact CE1-CD2 3.7Å; Y662-F959 HydrophobicContact CE1-CE2 4.11Å; Y662-M962 HydrophobicContact CD1-CE 3.56Å; Y662-M962 HydrophobicContact CD2-CE 4.29Å; Y662-M962 HydrophobicContact CE1-CE 3.88Å; Y662-M962 HydrophobicContact CG-CE 3.77Å |
| 663 | G | 62.1 | Low | 68 | Low | 8 Ų | 8 | 67.9 Ų | 67.9 | 8% | 0.082 | 33% | 0.326 | C | S | . | . | trans | 89.8 | 140.5 | -159.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H658 E659 K966 | H658-G663 CarbonylContact O-C 3.51Å; H658-G663 PolarHBondContact O-N 2.93Å; E659-G663 PolarHBondContact O-N 2.93Å; E659-G663 WeakPolarHBondContact OE2-CA 3.5Å; G663-K966 VanDerWaalsContact CA-NZ 3.33Å | ||
| 664 | C | 72.1 | Confident | 68.3 | Low | 10 Ų | 10 | 68.1 Ų | 68.1 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | trans | -84.7 | 115.7 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | C656 E659 R666 E667 C670 H674 | C656-C664 VanDerWaalsContact SG-SG 3.62Å; E659-C664 HydrophobicContact CB-CB 4.22Å; E659-C664 WeakPolarHBondContact OE2-CB 3.48Å; E659-C664 PolarHBondContact OE2-N 3.25Å; C664-R666 PolarHBondContact O-N 3.26Å; C664-E667 PolarHBondContact O-N 2.73Å; C664-E667 VanDerWaalsContact O-N 3.14Å; C664-C670 VanDerWaalsContact SG-CB 3.55Å; C664-C670 PolarHBondContact SG-SG 2.73Å; C664-H674 WeakPolarHBondContact CB-CE1 3.4Å; C664-H674 VanDerWaalsContact CB-NE2 3.26Å; C664-H674 WeakPolarHBondContact CB-NE2 3.46Å; C664-H674 PolarHBondContact SG-NE2 3.49Å | ||
| 665 | V | 70.8 | Confident | 69.2 | Low | 127 Ų | 127 | 67.9 Ų | 67.9 | 77% | 0.77 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.9 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | E667 | V665-E667 VanDerWaalsContact C-N 3.29Å; V665-E667 PolarHBondContact O-N 3.22Å |
| 666 | R | 73.1 | Confident | 69.8 | Low | 142 Ų | 142 | 68.3 Ų | 68.3 | 54% | 0.536 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -9.3 | 178.2 | -60.7 | -172.5 | -176 | -179.9 | 1.5 | 114 | C664 D668 D669 C670 F671 | C664-R666 PolarHBondContact O-N 3.26Å; R666-D668 PolarHBondContact O-N 2.97Å; R666-D668 VanDerWaalsContact O-N 3.08Å; R666-D669 HydrophobicContact CB-CB 4.35Å; R666-D669 WeakPolarHBondContact O-CB 3.43Å; R666-D669 PolarHBondContact O-N 3.46Å; R666-C670 HydrophobicContact CB-CB 4.17Å; R666-F671 VanDerWaalsContact NH1-CE2 3.3Å |
| 667 | E | 81.1 | Confident | 70.5 | Confident | 73 Ų | 73 | 68.5 Ų | 68.5 | 34% | 0.341 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | 44.5 | -111.9 | -177.9 | -62.3 | -173.3 | -145.6 | 0 | 0 | 112.3 | K600 C664 V665 H674 K969 | K600-E667 VanDerWaalsContact NZ-CD 3.27Å; K600-E667 IonicContact NZ-OE1 2.61Å; K600-E667 PolarHBondContact NZ-OE1 3.45Å; K600-E667 IonicContact NZ-OE2 2.7Å; K600-E667 PolarHBondContact NZ-OE2 2.98Å; C664-E667 PolarHBondContact O-N 2.73Å; C664-E667 VanDerWaalsContact O-N 3.14Å; V665-E667 VanDerWaalsContact C-N 3.29Å; V665-E667 PolarHBondContact O-N 3.22Å; E667-H674 PolarHBondContact O-CE1 2.61Å; E667-K969 WeakPolarHBondContact OE1-CE 3.23Å; E667-K969 IonicContact OE1-NZ 3.41Å; E667-K969 PolarHBondContact OE1-NZ 3.38Å |
| 668 | D | 82.8 | Confident | 71.6 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 39% | 0.39 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -70.2 | -31.4 | 179.3 | -74.7 | -42.8 | 0 | 0 | 0 | 113.9 | K643 R645 R666 C670 | K643-D668 WeakPolarHBondContact CE-OD1 3.41Å; K643-D668 IonicContact NZ-OD1 2.98Å; K643-D668 PolarHBondContact NZ-OD1 3.15Å; K643-D668 IonicContact NZ-OD2 3.49Å; K643-D668 PolarHBondContact NZ-OD2 3.17Å; R645-D668 WeakPolarHBondContact CD-OD1 3.44Å; R645-D668 WeakPolarHBondContact CG-OD1 3.25Å; R645-D668 PolarHBondContact NH1-O 2.75Å; R666-D668 PolarHBondContact O-N 2.97Å; R666-D668 VanDerWaalsContact O-N 3.08Å; D668-C670 PolarHBondContact O-N 3.14Å |
| 669 | D | 80.9 | Confident | 72.7 | Confident | 130 Ų | 130 | 57.7 Ų | 57.7 | 70% | 0.695 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -73.9 | 14 | -177.4 | -54.6 | -48.4 | 0 | 0 | 0 | 113.9 | R666 | R666-D669 HydrophobicContact CB-CB 4.35Å; R666-D669 WeakPolarHBondContact O-CB 3.43Å; R666-D669 PolarHBondContact O-N 3.46Å |
| 670 | C | 79.9 | Confident | 73.3 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.054 | 28% | 0.277 | C | S | . | . | trans | -81.7 | 120.4 | 177 | -164.2 | 0 | 0 | 0 | 0 | 112 | R645 C656 C664 R666 D668 Y672 H674 | R645-C670 PolarHBondContact NH1-O 3.28Å; C656-C670 VanDerWaalsContact SG-SG 3.6Å; C664-C670 VanDerWaalsContact SG-CB 3.55Å; C664-C670 PolarHBondContact SG-SG 2.73Å; R666-C670 HydrophobicContact CB-CB 4.17Å; D668-C670 PolarHBondContact O-N 3.14Å; C670-Y672 PolarHBondContact O-N 3.3Å; C670-Y672 VanDerWaalsContact O-N 3.09Å; C670-H674 WeakPolarHBondContact CB-NE2 3.43Å | ||
| 671 | F | 76.3 | Confident | 74.9 | Confident | 74 Ų | 74 | 50 Ų | 50 | 33% | 0.325 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -59.9 | -18.9 | 173.5 | -52.1 | -49.8 | 0 | 0 | 0 | 114.1 | Q650 S651 Q652 R666 W682 | Q650-F671 HydrophobicContact CB-CD1 3.83Å; Q650-F671 HydrophobicContact CB-CE1 3.86Å; S651-F671 CarbonylContact C-O 3.56Å; S651-F671 WeakPolarHBondContact CA-O 3.22Å; Q652-F671 HydrophobicContact CG-CB 4.34Å; Q652-F671 PolarHBondContact N-O 2.64Å; R666-F671 VanDerWaalsContact NH1-CE2 3.3Å; F671-W682 WeakPolarHBondContact O-CZ3 3.47Å |
| 672 | Y | 74.9 | Confident | 76.6 | Confident | 96 Ų | 96 | 46.5 Ų | 46.5 | 38% | 0.376 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 152.2 | -177.8 | -62.3 | -78.3 | 0 | 0 | 0 | 112.2 | R645 Q652 D654 C670 H674 | R645-Y672 PolarHBondContact NH2-O 3.38Å; Q652-Y672 HydrophobicContact CB-CD1 3.67Å; Q652-Y672 HydrophobicContact CB-CE1 3.51Å; Q652-Y672 HydrophobicContact CG-CD1 4.49Å; Q652-Y672 HydrophobicContact CG-CE1 3.98Å; D654-Y672 HydrophobicContact CB-CD1 3.95Å; D654-Y672 HydrophobicContact CB-CE1 4.16Å; D654-Y672 WeakPolarHBondContact O-CB 3.33Å; C670-Y672 PolarHBondContact O-N 3.3Å; C670-Y672 VanDerWaalsContact O-N 3.09Å; Y672-H674 PolarHBondContact O-CD2 3.2Å |
| 673 | A | 73.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 133.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D654 L655 C656 E678 L679 W682 | D654-A673 PolarHBondContact O-N 2.87Å; L655-A673 CarbonylContact C-O 3.6Å; L655-A673 WeakPolarHBondContact CA-O 3.49Å; L655-A673 HydrophobicContact CD2-CB 4.25Å; C656-A673 PolarHBondContact N-O 3.31Å; A673-E678 WeakPolarHBondContact CA-OE2 3.3Å; A673-E678 HydrophobicContact CB-CB 4.46Å; A673-E678 HydrophobicContact CB-CG 4.37Å; A673-L679 HydrophobicContact CB-CB 3.72Å; A673-L679 HydrophobicContact CB-CD1 4.33Å; A673-W682 HydrophobicContact CB-CE3 3.98Å; A673-W682 HydrophobicContact CB-CZ3 4.03Å |
| 674 | H | 76.5 | Confident | 78.8 | Confident | 48 Ų | 48 | 44.5 Ų | 44.5 | 22% | 0.222 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -86.3 | -8.5 | -177.8 | -74.6 | -169.2 | 0 | 0 | 0 | 113.3 | C656 E659 C664 E667 C670 Y672 E678 | C656-H674 VanDerWaalsContact CB-CD2 3.47Å; C656-H674 WeakPolarHBondContact CB-CD2 3.48Å; E659-H674 HydrophobicContact CG-CB 4.2Å; C664-H674 WeakPolarHBondContact CB-CE1 3.4Å; C664-H674 VanDerWaalsContact CB-NE2 3.26Å; C664-H674 WeakPolarHBondContact CB-NE2 3.46Å; C664-H674 PolarHBondContact SG-NE2 3.49Å; E667-H674 PolarHBondContact O-CE1 2.61Å; C670-H674 WeakPolarHBondContact CB-NE2 3.43Å; Y672-H674 PolarHBondContact O-CD2 3.2Å; H674-E678 PolarHBondContact N-OE2 2.96Å |
| 675 | S | 78.1 | Confident | 79.4 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 20% | 0.203 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -151.7 | 157.6 | 173.8 | 69.1 | 0 | 0 | 0 | 0 | 112.3 | I677 E678 L679 | S675-I677 PolarHBondContact O-N 3.49Å; S675-I677 WeakPolarHBondContact OG-CG2 3.14Å; S675-E678 PolarHBondContact O-N 2.79Å; S675-E678 WeakPolarHBondContact OG-CB 3.48Å; S675-E678 PolarHBondContact OG-N 3.46Å; S675-E678 VanDerWaalsContact OG-N 3.11Å; S675-L679 PolarHBondContact O-N 3.38Å |
| 676 | L | 75.9 | Confident | 79.7 | Confident | 55 Ų | 55 | 45.4 Ų | 45.4 | 29% | 0.288 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.6 | -33.7 | 174.7 | -77.3 | 163.8 | 0 | 0 | 0 | 112.9 | H585 L655 K680 | H585-L676 VanDerWaalsContact NE2-CB 3.35Å; H585-L676 WeakPolarHBondContact NE2-CB 3.33Å; L655-L676 HydrophobicContact CD1-CD2 3.88Å; L655-L676 HydrophobicContact CD1-CG 4.27Å; L676-K680 WeakPolarHBondContact O-CG 3.49Å; L676-K680 PolarHBondContact O-N 2.85Å |
| 677 | I | 81.3 | Confident | 79.8 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -79.3 | -33.8 | 178.3 | -172.7 | 148.2 | 0 | 0 | 0 | 112.9 | I581 H585 F589 H632 I644 S675 L679 V681 | I581-I677 HydrophobicContact CG2-CD1 3.96Å; I581-I677 HydrophobicContact CG2-CG1 4.07Å; H585-I677 HydrophobicContact CB-CD1 3.74Å; F589-I677 HydrophobicContact CE1-CD1 3.85Å; F589-I677 HydrophobicContact CE1-CG1 4Å; F589-I677 HydrophobicContact CZ-CD1 3.84Å; F589-I677 HydrophobicContact CZ-CG1 4.09Å; H632-I677 HydrophobicContact CB-CD1 4.18Å; H632-I677 HydrophobicContact CB-CG2 4.37Å; H632-I677 WeakPolarHBondContact CD2-CD1 3.49Å; I644-I677 HydrophobicContact CD1-CG1 4.45Å; S675-I677 PolarHBondContact O-N 3.49Å; S675-I677 WeakPolarHBondContact OG-CG2 3.14Å; I677-L679 VanDerWaalsContact C-N 3.34Å; I677-V681 WeakPolarHBondContact O-CB 3.15Å; I677-V681 WeakPolarHBondContact O-CG2 3.14Å; I677-V681 PolarHBondContact O-N 3.29Å |
| 678 | E | 86.6 | Confident | 79.7 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 168.8 | -175.4 | 175.2 | -119.1 | 0 | 0 | 110.3 | I644 R645 A673 H674 S675 V681 W682 | I644-E678 HydrophobicContact CG1-CB 4.37Å; I644-E678 HydrophobicContact CG2-CG 4.33Å; R645-E678 WeakPolarHBondContact CB-OE1 3.46Å; R645-E678 WeakPolarHBondContact CG-OE1 3.34Å; R645-E678 IonicContact CZ-OE1 3.95Å; R645-E678 IonicContact CZ-OE2 3.66Å; R645-E678 PolarHBondContact N-OE1 3.02Å; R645-E678 IonicContact NE-OE1 2.7Å; R645-E678 PolarHBondContact NE-OE1 3.21Å; R645-E678 IonicContact NE-OE2 3.16Å; R645-E678 PolarHBondContact NE-OE2 2.91Å; R645-E678 IonicContact NH2-OE1 2.85Å; R645-E678 IonicContact NH2-OE2 2.68Å; R645-E678 PolarHBondContact NH2-OE2 2.92Å; A673-E678 WeakPolarHBondContact CA-OE2 3.3Å; A673-E678 HydrophobicContact CB-CB 4.46Å; A673-E678 HydrophobicContact CB-CG 4.37Å; H674-E678 PolarHBondContact N-OE2 2.96Å; S675-E678 PolarHBondContact O-N 2.79Å; S675-E678 WeakPolarHBondContact OG-CB 3.48Å; S675-E678 PolarHBondContact OG-N 3.46Å; S675-E678 VanDerWaalsContact OG-N 3.11Å; E678-V681 PolarHBondContact O-N 2.94Å; E678-W682 HydrophobicContact CG-CD2 4.35Å; E678-W682 HydrophobicContact CG-CZ2 4.29Å; E678-W682 PolarHBondContact O-N 3.44Å |
| 679 | L | 79.8 | Confident | 79.5 | Confident | 23 Ų | 23 | 41 Ų | 41 | 12% | 0.12 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.4 | -50 | 176.7 | 179.2 | 55.9 | 0 | 0 | 0 | 112.5 | L653 L655 A673 S675 I677 V681 W682 M683 | L653-L679 VanDerWaalsContact C-CD1 3.45Å; L653-L679 HydrophobicContact CB-CD1 4.11Å; L653-L679 WeakPolarHBondContact O-CD1 3.26Å; L655-L679 HydrophobicContact CD2-CB 4.08Å; L655-L679 HydrophobicContact CD2-CD2 3.96Å; L655-L679 HydrophobicContact CG-CD2 3.98Å; A673-L679 HydrophobicContact CB-CB 3.72Å; A673-L679 HydrophobicContact CB-CD1 4.33Å; S675-L679 PolarHBondContact O-N 3.38Å; I677-L679 VanDerWaalsContact C-N 3.34Å; L679-V681 PolarHBondContact O-N 3.44Å; L679-W682 PolarHBondContact O-N 2.86Å; L679-W682 VanDerWaalsContact O-N 3.14Å; L679-M683 HydrophobicContact CD1-CG 4.19Å; L679-M683 HydrophobicContact CD1-SD 4.34Å; L679-M683 HydrophobicContact CG-SD 4.22Å; L679-M683 WeakPolarHBondContact O-CG 3.29Å; L679-M683 PolarHBondContact O-N 3.42Å |
| 680 | K | 79.1 | Confident | 79.8 | Confident | 16 Ų | 16 | 36 Ų | 36 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -26.6 | 178.7 | -71.2 | -179.8 | -171.5 | 173.3 | 0 | 112.7 | E562 I581 E584 L676 M684 | E562-K680 WeakPolarHBondContact OE2-CE 3.46Å; E562-K680 IonicContact OE2-NZ 2.71Å; E562-K680 PolarHBondContact OE2-NZ 3Å; I581-K680 HydrophobicContact CD1-CB 4.28Å; I581-K680 WeakPolarHBondContact CD1-O 3.48Å; I581-K680 HydrophobicContact CG1-CB 4.42Å; E584-K680 IonicContact OE1-NZ 2.75Å; E584-K680 PolarHBondContact OE1-NZ 2.83Å; E584-K680 WeakPolarHBondContact OE2-CD 3.4Å; E584-K680 IonicContact OE2-NZ 2.81Å; E584-K680 PolarHBondContact OE2-NZ 2.7Å; L676-K680 WeakPolarHBondContact O-CG 3.49Å; L676-K680 PolarHBondContact O-N 2.85Å; K680-M684 WeakPolarHBondContact O-CB 3.36Å; K680-M684 PolarHBondContact O-N 3.35Å |
| 681 | V | 84.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.3 | -48.1 | 168.6 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | I581 F589 I644 I677 E678 L679 M683 M684 Q685 I695 | I581-V681 HydrophobicContact CD1-CG2 4.31Å; F589-V681 HydrophobicContact CE1-CG2 4.2Å; F589-V681 HydrophobicContact CZ-CG2 3.96Å; I644-V681 HydrophobicContact CD1-CG2 4.3Å; I644-V681 HydrophobicContact CG2-CB 4.09Å; I644-V681 HydrophobicContact CG2-CG1 3.78Å; I677-V681 WeakPolarHBondContact O-CB 3.15Å; I677-V681 WeakPolarHBondContact O-CG2 3.14Å; I677-V681 PolarHBondContact O-N 3.29Å; E678-V681 PolarHBondContact O-N 2.94Å; L679-V681 PolarHBondContact O-N 3.44Å; V681-M683 VanDerWaalsContact C-N 3.33Å; V681-M683 PolarHBondContact O-N 2.99Å; V681-M684 HydrophobicContact CG1-CE 4.43Å; V681-M684 HydrophobicContact CG2-CE 4.34Å; V681-M684 CarbonylContact O-C 3.56Å; V681-M684 WeakPolarHBondContact O-CB 3.3Å; V681-M684 PolarHBondContact O-N 2.92Å; V681-M684 VanDerWaalsContact O-N 3.1Å; V681-Q685 HydrophobicContact CG1-CG 4.08Å; V681-Q685 WeakPolarHBondContact O-CG 3.38Å; V681-Q685 PolarHBondContact O-N 2.95Å; V681-I695 HydrophobicContact CG1-CD1 3.65Å |
| 682 | W | 83.6 | Confident | 80.8 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.1 | -43.3 | 177.1 | -77.7 | 6.6 | 0 | 0 | 0 | 112.8 | R645 L647 L653 F671 A673 E678 L679 Q685 H686 | R645-W682 HydrophobicContact CB-CZ2 4.39Å; R645-W682 PolarHBondContact O-NE1 3.02Å; L647-W682 HydrophobicContact CD1-CB 3.99Å; L647-W682 HydrophobicContact CD1-CD2 4.27Å; L647-W682 HydrophobicContact CD1-CG 4.03Å; L653-W682 HydrophobicContact CD2-CB 3.7Å; L653-W682 HydrophobicContact CD2-CE3 4.49Å; F671-W682 WeakPolarHBondContact O-CZ3 3.47Å; A673-W682 HydrophobicContact CB-CE3 3.98Å; A673-W682 HydrophobicContact CB-CZ3 4.03Å; E678-W682 HydrophobicContact CG-CD2 4.35Å; E678-W682 HydrophobicContact CG-CZ2 4.29Å; E678-W682 PolarHBondContact O-N 3.44Å; L679-W682 PolarHBondContact O-N 2.86Å; L679-W682 VanDerWaalsContact O-N 3.14Å; W682-Q685 PolarHBondContact O-N 3.44Å; W682-H686 WeakPolarHBondContact O-CB 3.43Å; W682-H686 PolarHBondContact O-N 3.11Å |
| 683 | M | 77.1 | Confident | 81.5 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 11% | 0.108 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -48.1 | 173.7 | -67.1 | 173.5 | 73.7 | 0 | 0 | 111.5 | A451 L576 L653 L679 V681 Q685 H686 E687 | A451-M683 HydrophobicContact CB-CE 4.07Å; L576-M683 HydrophobicContact CD1-CB 3.6Å; L576-M683 HydrophobicContact CD1-CE 4.31Å; L576-M683 HydrophobicContact CD1-SD 4.35Å; L653-M683 HydrophobicContact CD1-CG 4.38Å; L653-M683 HydrophobicContact CD2-CG 4.37Å; L679-M683 HydrophobicContact CD1-CG 4.19Å; L679-M683 HydrophobicContact CD1-SD 4.34Å; L679-M683 HydrophobicContact CG-SD 4.22Å; L679-M683 WeakPolarHBondContact O-CG 3.29Å; L679-M683 PolarHBondContact O-N 3.42Å; V681-M683 VanDerWaalsContact C-N 3.33Å; V681-M683 PolarHBondContact O-N 2.99Å; M683-Q685 VanDerWaalsContact C-N 3.31Å; M683-Q685 PolarHBondContact O-N 3.19Å; M683-H686 PolarHBondContact O-N 3.29Å; M683-E687 WeakPolarHBondContact O-CB 3.26Å; M683-E687 WeakPolarHBondContact O-CG 3.42Å; M683-E687 PolarHBondContact O-N 2.9Å |
| 684 | M | 85.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.9 | -35.5 | 176.3 | -178.1 | -177.3 | 60.7 | 0 | 0 | 112.9 | L576 V578 I581 K680 V681 L688 I690 I695 | L576-M684 HydrophobicContact CB-CB 3.8Å; L576-M684 HydrophobicContact CB-CG 4.17Å; L576-M684 WeakPolarHBondContact O-CG 3Å; V578-M684 HydrophobicContact CG2-CE 3.95Å; V578-M684 HydrophobicContact CG2-SD 3.91Å; I581-M684 HydrophobicContact CD1-CB 4.33Å; I581-M684 HydrophobicContact CD1-CE 3.87Å; I581-M684 HydrophobicContact CD1-SD 3.76Å; K680-M684 WeakPolarHBondContact O-CB 3.36Å; K680-M684 PolarHBondContact O-N 3.35Å; V681-M684 HydrophobicContact CG1-CE 4.43Å; V681-M684 HydrophobicContact CG2-CE 4.34Å; V681-M684 CarbonylContact O-C 3.56Å; V681-M684 WeakPolarHBondContact O-CB 3.3Å; V681-M684 PolarHBondContact O-N 2.92Å; V681-M684 VanDerWaalsContact O-N 3.1Å; M684-L688 HydrophobicContact CG-CD1 4.13Å; M684-L688 VanDerWaalsContact O-CB 3.27Å; M684-L688 WeakPolarHBondContact O-CB 3.41Å; M684-L688 WeakPolarHBondContact O-CG 3.44Å; M684-L688 PolarHBondContact O-N 3.29Å; M684-I690 HydrophobicContact CE-CG2 4.15Å; M684-I690 HydrophobicContact CG-CG2 3.97Å; M684-I690 HydrophobicContact SD-CG2 4.47Å; M684-I695 HydrophobicContact CE-CD1 3.64Å; M684-I695 HydrophobicContact CE-CG1 3.75Å |
| 685 | Q | 85.4 | Confident | 82.8 | Confident | 22 Ų | 22 | 34.6 Ų | 34.6 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.7 | -40.8 | 175.2 | -68.1 | -167.3 | -77.4 | 0 | 0 | 111.9 | L647 V681 W682 M683 G689 I690 H692 I695 | L647-Q685 HydrophobicContact CB-CB 4.23Å; L647-Q685 HydrophobicContact CD2-CB 3.9Å; V681-Q685 HydrophobicContact CG1-CG 4.08Å; V681-Q685 WeakPolarHBondContact O-CG 3.38Å; V681-Q685 PolarHBondContact O-N 2.95Å; W682-Q685 PolarHBondContact O-N 3.44Å; M683-Q685 VanDerWaalsContact C-N 3.31Å; M683-Q685 PolarHBondContact O-N 3.19Å; Q685-G689 WeakPolarHBondContact O-CA 3.16Å; Q685-G689 PolarHBondContact O-N 3.36Å; Q685-I690 HydrophobicContact CG-CG2 4.12Å; Q685-I690 WeakPolarHBondContact CG-O 3.41Å; Q685-I690 PolarHBondContact NE2-O 2.75Å; Q685-H692 PolarHBondContact NE2-CD2 3.41Å; Q685-H692 VanDerWaalsContact NE2-CD2 3.26Å; Q685-H692 PolarHBondContact NE2-NE2 2.79Å; Q685-I695 HydrophobicContact CG-CD1 4.16Å |
| 686 | H | 77.6 | Confident | 83.3 | Confident | 134 Ų | 134 | 33.6 Ų | 33.6 | 62% | 0.62 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -65.3 | -45 | 175.8 | -177.8 | -91.4 | 0 | 0 | 0 | 111.9 | L647 L653 W682 M683 | L647-H686 HydrophobicContact CD2-CB 3.87Å; L653-H686 HydrophobicContact CD1-CB 4.39Å; W682-H686 WeakPolarHBondContact O-CB 3.43Å; W682-H686 PolarHBondContact O-N 3.11Å; M683-H686 PolarHBondContact O-N 3.29Å |
| 687 | E | 74.6 | Confident | 83.8 | Confident | 76 Ų | 76 | 36 Ų | 36 | 36% | 0.355 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.7 | -41 | 177.3 | -75.5 | 172.4 | -150.6 | 0 | 0 | 113.2 | L576 M683 | L576-E687 PolarHBondContact N-OE2 3.39Å; M683-E687 WeakPolarHBondContact O-CB 3.26Å; M683-E687 WeakPolarHBondContact O-CG 3.42Å; M683-E687 PolarHBondContact O-N 2.9Å |
| 688 | L | 78.3 | Confident | 84 | Confident | 55 Ų | 55 | 37.9 Ų | 37.9 | 29% | 0.288 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -118.2 | -6 | -162.6 | -53.2 | -170.1 | 0 | 0 | 0 | 115.6 | R575 L576 M684 I690 | R575-L688 HydrophobicContact CG-CD1 4.14Å; R575-L688 HydrophobicContact CG-CD2 3.88Å; L576-L688 VanDerWaalsContact O-CD1 3.31Å; L576-L688 WeakPolarHBondContact O-CD1 3.25Å; M684-L688 HydrophobicContact CG-CD1 4.13Å; M684-L688 VanDerWaalsContact O-CB 3.27Å; M684-L688 WeakPolarHBondContact O-CB 3.41Å; M684-L688 WeakPolarHBondContact O-CG 3.44Å; M684-L688 PolarHBondContact O-N 3.29Å; L688-I690 HydrophobicContact CB-CB 4.4Å; L688-I690 HydrophobicContact CB-CG2 4.39Å; L688-I690 PolarHBondContact O-N 3.22Å |
| 689 | G | 80.1 | Confident | 84 | Confident | 65 Ų | 65 | 38 Ų | 38 | 67% | 0.67 | 21% | 0.209 | S | C | * | . | trans | 62.4 | 20.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q685 | Q685-G689 WeakPolarHBondContact O-CA 3.16Å; Q685-G689 PolarHBondContact O-N 3.36Å | ||
| 690 | I | 85.6 | Confident | 84.3 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | trans | -76.1 | 127.4 | -171.3 | -168.7 | 174.2 | 0 | 0 | 0 | 112 | V578 M684 Q685 L688 I695 | V578-I690 HydrophobicContact CG2-CD1 4.22Å; M684-I690 HydrophobicContact CE-CG2 4.15Å; M684-I690 HydrophobicContact CG-CG2 3.97Å; M684-I690 HydrophobicContact SD-CG2 4.47Å; Q685-I690 HydrophobicContact CG-CG2 4.12Å; Q685-I690 WeakPolarHBondContact CG-O 3.41Å; Q685-I690 PolarHBondContact NE2-O 2.75Å; L688-I690 HydrophobicContact CB-CB 4.4Å; L688-I690 HydrophobicContact CB-CG2 4.39Å; L688-I690 PolarHBondContact O-N 3.22Å; I690-I695 HydrophobicContact CD1-CG1 4.04Å; I690-I695 HydrophobicContact CG1-CG1 4.11Å; I690-I695 HydrophobicContact CG2-CD1 4.32Å; I690-I695 HydrophobicContact CG2-CG1 4.21Å | ||
| 691 | T | 88.9 | Confident | 84.6 | Confident | 72 Ų | 72 | 47.8 Ų | 47.8 | 44% | 0.442 | 25% | 0.25 | S | S | . | . | trans | -79.5 | 161 | 178.3 | 87.1 | 0 | 0 | 0 | 0 | 112.1 | E693 S694 I695 | T691-E693 WeakPolarHBondContact CB-OE2 3.39Å; T691-E693 PolarHBondContact O-N 3.37Å; T691-E693 PolarHBondContact OG1-N 3.3Å; T691-E693 PolarHBondContact OG1-OE2 3.42Å; T691-S694 PolarHBondContact O-N 3.4Å; T691-S694 VanDerWaalsContact O-N 3.12Å; T691-S694 PolarHBondContact OG1-N 3.06Å; T691-I695 WeakPolarHBondContact O-CG1 3.21Å; T691-I695 PolarHBondContact O-N 2.91Å | ||
| 692 | H | 88.7 | Confident | 84.4 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 11% | 0.106 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -34.6 | 176.2 | -69.7 | 176.9 | 0 | 0 | 0 | 112.9 | F591 L630 Q685 I695 V696 | F591-H692 HydrophobicContact CE1-CB 3.82Å; F591-H692 HydrophobicContact CZ-CB 3.73Å; L630-H692 HydrophobicContact CB-CB 4.35Å; L630-H692 HydrophobicContact CD2-CB 4.06Å; Q685-H692 PolarHBondContact NE2-CD2 3.41Å; Q685-H692 VanDerWaalsContact NE2-CD2 3.26Å; Q685-H692 PolarHBondContact NE2-NE2 2.79Å; H692-I695 PolarHBondContact O-N 2.75Å; H692-V696 WeakPolarHBondContact O-CG2 3.36Å; H692-V696 PolarHBondContact O-N 3.37Å |
| 693 | E | 89.1 | Confident | 84.1 | Confident | 66 Ų | 66 | 55 Ų | 55 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 174.9 | -66 | 64.5 | -146.4 | 0 | 0 | 110.6 | F591 K628 T691 I695 V696 Q697 | F591-E693 HydrophobicContact CZ-CG 4.4Å; K628-E693 WeakPolarHBondContact CE-OE1 3.38Å; K628-E693 IonicContact NZ-OE1 2.88Å; K628-E693 PolarHBondContact NZ-OE1 3.04Å; T691-E693 WeakPolarHBondContact CB-OE2 3.39Å; T691-E693 PolarHBondContact O-N 3.37Å; T691-E693 PolarHBondContact OG1-N 3.3Å; T691-E693 PolarHBondContact OG1-OE2 3.42Å; E693-I695 VanDerWaalsContact C-N 3.33Å; E693-I695 PolarHBondContact O-N 2.71Å; E693-V696 PolarHBondContact O-N 2.79Å; E693-Q697 WeakPolarHBondContact O-CB 3.48Å; E693-Q697 VanDerWaalsContact O-CG 3.31Å; E693-Q697 WeakPolarHBondContact O-CG 3.5Å; E693-Q697 PolarHBondContact O-N 3.24Å |
| 694 | S | 88.1 | Confident | 84.1 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 26% | 0.259 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.1 | -38 | 178.4 | -166.1 | 0 | 0 | 0 | 0 | 111.2 | T691 V696 Q697 D698 | T691-S694 PolarHBondContact O-N 3.4Å; T691-S694 VanDerWaalsContact O-N 3.12Å; T691-S694 PolarHBondContact OG1-N 3.06Å; S694-V696 PolarHBondContact O-N 3.02Å; S694-Q697 PolarHBondContact O-N 3.45Å; S694-D698 WeakPolarHBondContact O-CB 3.46Å; S694-D698 PolarHBondContact O-N 3.47Å |
| 695 | I | 90 | Very high | 83.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 172.7 | -65.3 | 171.8 | 0 | 0 | 0 | 111.4 | V578 F589 L630 V681 M684 Q685 I690 T691 H692 E693 D698 A699 | V578-I695 HydrophobicContact CG1-CG2 4.24Å; V578-I695 HydrophobicContact CG2-CB 4.33Å; V578-I695 HydrophobicContact CG2-CG1 4.22Å; V578-I695 HydrophobicContact CG2-CG2 4.18Å; F589-I695 HydrophobicContact CB-CG2 4.4Å; F589-I695 HydrophobicContact CD2-CG2 3.74Å; F589-I695 HydrophobicContact CE2-CG2 4.14Å; F589-I695 HydrophobicContact CG-CG2 4.03Å; L630-I695 HydrophobicContact CD2-CD1 4.34Å; L630-I695 HydrophobicContact CD2-CG2 4.33Å; V681-I695 HydrophobicContact CG1-CD1 3.65Å; M684-I695 HydrophobicContact CE-CD1 3.64Å; M684-I695 HydrophobicContact CE-CG1 3.75Å; Q685-I695 HydrophobicContact CG-CD1 4.16Å; I690-I695 HydrophobicContact CD1-CG1 4.04Å; I690-I695 HydrophobicContact CG1-CG1 4.11Å; I690-I695 HydrophobicContact CG2-CD1 4.32Å; I690-I695 HydrophobicContact CG2-CG1 4.21Å; T691-I695 WeakPolarHBondContact O-CG1 3.21Å; T691-I695 PolarHBondContact O-N 2.91Å; H692-I695 PolarHBondContact O-N 2.75Å; E693-I695 VanDerWaalsContact C-N 3.33Å; E693-I695 PolarHBondContact O-N 2.71Å; I695-D698 PolarHBondContact O-N 3.19Å; I695-A699 VanDerWaalsContact O-CB 3.28Å; I695-A699 WeakPolarHBondContact O-CB 3.44Å; I695-A699 PolarHBondContact O-N 2.8Å |
| 696 | V | 88.9 | Confident | 82.6 | Confident | 8 Ų | 8 | 62 Ų | 62 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.7 | -33.6 | 178.6 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | F589 F591 L630 H692 E693 S694 K700 | F589-V696 HydrophobicContact CB-CG2 4.33Å; F591-V696 HydrophobicContact CD2-CB 4.39Å; F591-V696 HydrophobicContact CD2-CG1 4.37Å; F591-V696 HydrophobicContact CD2-CG2 3.99Å; F591-V696 HydrophobicContact CE2-CB 4.06Å; F591-V696 HydrophobicContact CE2-CG1 4.47Å; F591-V696 HydrophobicContact CE2-CG2 3.79Å; F591-V696 HydrophobicContact CZ-CG2 4.22Å; L630-V696 HydrophobicContact CD1-CG2 3.46Å; L630-V696 VanDerWaalsContact CD1-CG2 3.46Å; H692-V696 WeakPolarHBondContact O-CG2 3.36Å; H692-V696 PolarHBondContact O-N 3.37Å; E693-V696 PolarHBondContact O-N 2.79Å; S694-V696 PolarHBondContact O-N 3.02Å; V696-K700 HydrophobicContact CG1-CD 4.36Å; V696-K700 VanDerWaalsContact O-CG 3.28Å; V696-K700 WeakPolarHBondContact O-CG 3.44Å; V696-K700 PolarHBondContact O-N 2.84Å; V696-K700 VanDerWaalsContact O-N 3.09Å |
| 697 | Q | 86.6 | Confident | 81.9 | Confident | 105 Ų | 105 | 58.5 Ų | 58.5 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.2 | -47.2 | 173.3 | -74 | -179.2 | 29.2 | 0 | 0 | 112 | E693 S694 A699 K700 K701 | E693-Q697 WeakPolarHBondContact O-CB 3.48Å; E693-Q697 VanDerWaalsContact O-CG 3.31Å; E693-Q697 WeakPolarHBondContact O-CG 3.5Å; E693-Q697 PolarHBondContact O-N 3.24Å; S694-Q697 PolarHBondContact O-N 3.45Å; Q697-A699 VanDerWaalsContact C-N 3.34Å; Q697-K700 WeakPolarHBondContact O-CB 3.42Å; Q697-K700 PolarHBondContact O-N 2.79Å; Q697-K701 WeakPolarHBondContact O-CG 3.16Å; Q697-K701 PolarHBondContact O-N 2.88Å |
| 698 | D | 86.3 | Confident | 80.9 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.3 | -31.6 | -179.6 | -74.4 | -9.4 | 0 | 0 | 0 | 112 | V578 S694 I695 K701 F702 | V578-D698 HydrophobicContact CB-CB 4.02Å; V578-D698 HydrophobicContact CG1-CB 4.4Å; V578-D698 HydrophobicContact CG2-CB 3.95Å; S694-D698 WeakPolarHBondContact O-CB 3.46Å; S694-D698 PolarHBondContact O-N 3.47Å; I695-D698 PolarHBondContact O-N 3.19Å; D698-K701 PolarHBondContact O-N 3.48Å; D698-K701 WeakPolarHBondContact OD1-CD 3.36Å; D698-K701 WeakPolarHBondContact OD1-CE 3.37Å; D698-K701 IonicContact OD1-NZ 2.67Å; D698-K701 PolarHBondContact OD1-NZ 3.08Å; D698-F702 VanDerWaalsContact O-CB 3.3Å; D698-F702 WeakPolarHBondContact O-CB 3.41Å; D698-F702 PolarHBondContact O-N 3.07Å |
| 699 | A | 86.7 | Confident | 79.4 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V578 L582 F589 I695 Q697 F702 W703 | V578-A699 HydrophobicContact CG1-CB 3.95Å; L582-A699 HydrophobicContact CD1-CB 3.76Å; F589-A699 HydrophobicContact CB-CB 4.21Å; F589-A699 HydrophobicContact CD2-CB 4.14Å; I695-A699 VanDerWaalsContact O-CB 3.28Å; I695-A699 WeakPolarHBondContact O-CB 3.44Å; I695-A699 PolarHBondContact O-N 2.8Å; Q697-A699 VanDerWaalsContact C-N 3.34Å; A699-F702 PolarHBondContact O-N 2.66Å; A699-W703 PolarHBondContact O-N 3.36Å |
| 700 | K | 85.2 | Confident | 77.7 | Confident | 132 Ų | 132 | 66.2 Ų | 66.2 | 57% | 0.574 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.1 | -44.2 | 175.3 | -72.6 | 168.6 | 180 | 179 | 0 | 111.6 | V696 Q697 F702 W703 N704 | V696-K700 HydrophobicContact CG1-CD 4.36Å; V696-K700 VanDerWaalsContact O-CG 3.28Å; V696-K700 WeakPolarHBondContact O-CG 3.44Å; V696-K700 PolarHBondContact O-N 2.84Å; V696-K700 VanDerWaalsContact O-N 3.09Å; Q697-K700 WeakPolarHBondContact O-CB 3.42Å; Q697-K700 PolarHBondContact O-N 2.79Å; K700-F702 PolarHBondContact O-N 3.47Å; K700-W703 PolarHBondContact O-N 3.22Å; K700-N704 VanDerWaalsContact O-CB 3.3Å; K700-N704 WeakPolarHBondContact O-CB 3.25Å; K700-N704 PolarHBondContact O-N 2.92Å; K700-N704 PolarHBondContact O-OD1 2.8Å |
| 701 | K | 84.3 | Confident | 75.5 | Confident | 112 Ų | 112 | 68.5 Ų | 68.5 | 49% | 0.487 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 175.2 | -67.6 | 168.6 | -154.6 | 161.1 | 0 | 111.3 | Q697 D698 N704 A705 | Q697-K701 WeakPolarHBondContact O-CG 3.16Å; Q697-K701 PolarHBondContact O-N 2.88Å; D698-K701 PolarHBondContact O-N 3.48Å; D698-K701 WeakPolarHBondContact OD1-CD 3.36Å; D698-K701 WeakPolarHBondContact OD1-CE 3.37Å; D698-K701 IonicContact OD1-NZ 2.67Å; D698-K701 PolarHBondContact OD1-NZ 3.08Å; K701-N704 PolarHBondContact O-N 2.91Å; K701-A705 WeakPolarHBondContact O-CB 3.38Å; K701-A705 PolarHBondContact O-N 3.35Å |
| 702 | F | 82.4 | Confident | 73 | Confident | 50 Ų | 50 | 68.7 Ų | 68.7 | 22% | 0.219 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 178.5 | 174.8 | -109.5 | 0 | 0 | 0 | 112.4 | P579 L582 D698 A699 K700 A705 T706 | P579-F702 HydrophobicContact CB-CD2 3.56Å; P579-F702 HydrophobicContact CB-CE2 3.84Å; P579-F702 HydrophobicContact CB-CG 4.13Å; P579-F702 HydrophobicContact CG-CB 4.31Å; P579-F702 HydrophobicContact CG-CD2 3.99Å; P579-F702 HydrophobicContact CG-CG 4.33Å; L582-F702 HydrophobicContact CB-CD1 4.18Å; L582-F702 HydrophobicContact CB-CE1 4.03Å; L582-F702 HydrophobicContact CD1-CD1 3.87Å; D698-F702 VanDerWaalsContact O-CB 3.3Å; D698-F702 WeakPolarHBondContact O-CB 3.41Å; D698-F702 PolarHBondContact O-N 3.07Å; A699-F702 PolarHBondContact O-N 2.66Å; K700-F702 PolarHBondContact O-N 3.47Å; F702-A705 PolarHBondContact O-N 2.77Å; F702-T706 VanDerWaalsContact O-CB 3.29Å; F702-T706 WeakPolarHBondContact O-CB 3.4Å; F702-T706 PolarHBondContact O-N 3.41Å; F702-T706 PolarHBondContact O-OG1 3.31Å |
| 703 | W | 76.5 | Confident | 70.5 | Confident | 104 Ų | 104 | 74.8 Ų | 74.8 | 39% | 0.394 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 178.1 | -76.5 | 111.3 | 0 | 0 | 0 | 112.4 | G587 A699 K700 T706 A707 | G587-W703 VanDerWaalsContact O-CZ2 3.32Å; G587-W703 WeakPolarHBondContact O-CZ2 3.32Å; G587-W703 PolarHBondContact O-NE1 3.45Å; A699-W703 PolarHBondContact O-N 3.36Å; K700-W703 PolarHBondContact O-N 3.22Å; W703-T706 PolarHBondContact O-N 3.45Å; W703-A707 WeakPolarHBondContact O-CB 3.37Å; W703-A707 PolarHBondContact O-N 3.45Å |
| 704 | N | 77.1 | Confident | 67.7 | Low | 111 Ų | 111 | 80.3 Ų | 80.3 | 59% | 0.594 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 174.5 | -69 | -3.3 | 0 | 0 | 0 | 112 | K700 K701 A707 S708 | K700-N704 VanDerWaalsContact O-CB 3.3Å; K700-N704 WeakPolarHBondContact O-CB 3.25Å; K700-N704 PolarHBondContact O-N 2.92Å; K700-N704 PolarHBondContact O-OD1 2.8Å; K701-N704 PolarHBondContact O-N 2.91Å; N704-A707 PolarHBondContact O-N 3.36Å; N704-S708 PolarHBondContact O-N 3.31Å; N704-S708 PolarHBondContact O-OG 3.02Å |
| 705 | A | 73.6 | Confident | 64.9 | Low | 49 Ų | 49 | 84.3 Ų | 84.3 | 41% | 0.405 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | K701 F702 S708 L709 | K701-A705 WeakPolarHBondContact O-CB 3.38Å; K701-A705 PolarHBondContact O-N 3.35Å; F702-A705 PolarHBondContact O-N 2.77Å; A705-S708 PolarHBondContact O-N 2.85Å; A705-L709 WeakPolarHBondContact O-CB 3.46Å; A705-L709 WeakPolarHBondContact O-CG 3.41Å; A705-L709 PolarHBondContact O-N 2.84Å |
| 706 | T | 66.4 | Low | 61.9 | Low | 32 Ų | 32 | 89.3 Ų | 89.3 | 20% | 0.196 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.7 | -42 | 174.3 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | F702 W703 L709 Q710 | F702-T706 VanDerWaalsContact O-CB 3.29Å; F702-T706 WeakPolarHBondContact O-CB 3.4Å; F702-T706 PolarHBondContact O-N 3.41Å; F702-T706 PolarHBondContact O-OG1 3.31Å; W703-T706 PolarHBondContact O-N 3.45Å; T706-L709 PolarHBondContact O-N 2.97Å; T706-Q710 WeakPolarHBondContact O-CB 3.38Å; T706-Q710 VanDerWaalsContact O-CG 3.29Å; T706-Q710 WeakPolarHBondContact O-CG 3.47Å; T706-Q710 PolarHBondContact O-N 2.89Å |
| 707 | A | 62.2 | Low | 59.2 | Low | 60 Ų | 60 | 93.9 Ų | 93.9 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W703 N704 L709 Q710 G711 | W703-A707 WeakPolarHBondContact O-CB 3.37Å; W703-A707 PolarHBondContact O-N 3.45Å; N704-A707 PolarHBondContact O-N 3.36Å; A707-L709 PolarHBondContact O-N 3.46Å; A707-Q710 PolarHBondContact O-N 3.25Å; A707-G711 PolarHBondContact O-N 3.05Å |
| 708 | S | 53 | Low | 56.8 | Low | 82 Ų | 82 | 97.4 Ų | 97.4 | 57% | 0.573 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.4 | -38 | 176.2 | -65.4 | 0 | 0 | 0 | 0 | 113.1 | N704 A705 G711 A712 | N704-S708 PolarHBondContact O-N 3.31Å; N704-S708 PolarHBondContact O-OG 3.02Å; A705-S708 PolarHBondContact O-N 2.85Å; S708-G711 CarbonylContact O-C 3.59Å; S708-G711 PolarHBondContact O-N 3.48Å; S708-A712 WeakPolarHBondContact O-CB 3.38Å; S708-A712 PolarHBondContact O-N 3.46Å; S708-A712 VanDerWaalsContact O-N 3.13Å |
| 709 | L | 47.6 | Very low | 54.6 | Low | 123 Ų | 123 | 107.1 Ų | 107.1 | 64% | 0.644 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.2 | -38.5 | 175.1 | -77.9 | 164.4 | 0 | 0 | 0 | 112 | A705 T706 A707 G711 A712 | A705-L709 WeakPolarHBondContact O-CB 3.46Å; A705-L709 WeakPolarHBondContact O-CG 3.41Å; A705-L709 PolarHBondContact O-N 2.84Å; T706-L709 PolarHBondContact O-N 2.97Å; A707-L709 PolarHBondContact O-N 3.46Å; L709-G711 VanDerWaalsContact C-N 3.26Å; L709-G711 PolarHBondContact O-N 2.88Å; L709-A712 PolarHBondContact O-N 2.86Å |
| 710 | Q | 44.1 | Very low | 53 | Low | 153 Ų | 153 | 116.3 Ų | 116.3 | 72% | 0.715 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.9 | -25.5 | 172.5 | -72.2 | 174.8 | 8.4 | 0 | 0 | 112.7 | T706 A707 | T706-Q710 WeakPolarHBondContact O-CB 3.38Å; T706-Q710 VanDerWaalsContact O-CG 3.29Å; T706-Q710 WeakPolarHBondContact O-CG 3.47Å; T706-Q710 PolarHBondContact O-N 2.89Å; A707-Q710 PolarHBondContact O-N 3.25Å |
| 711 | G | 40 | Very low | 51.9 | Low | 71 Ų | 71 | 112.2 Ų | 112.2 | 73% | 0.732 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -7.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A707 S708 L709 | A707-G711 PolarHBondContact O-N 3.05Å; S708-G711 CarbonylContact O-C 3.59Å; S708-G711 PolarHBondContact O-N 3.48Å; L709-G711 VanDerWaalsContact C-N 3.26Å; L709-G711 PolarHBondContact O-N 2.88Å |
| 712 | A | 37.1 | Very low | 51.1 | Low | 76 Ų | 76 | 107.4 Ų | 107.4 | 63% | 0.628 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | -3.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S708 L709 | S708-A712 WeakPolarHBondContact O-CB 3.38Å; S708-A712 PolarHBondContact O-N 3.46Å; S708-A712 VanDerWaalsContact O-N 3.13Å; L709-A712 PolarHBondContact O-N 2.86Å |
| 713 | Q | 35.7 | Very low | 50.7 | Low | 151 Ų | 151 | 105.6 Ų | 105.6 | 71% | 0.706 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -134.3 | 143.5 | 171.5 | -70 | -164.8 | -6.7 | 0 | 0 | 112.3 | ||
| 714 | F | 30.5 | Very low | 50.2 | Low | 182 Ų | 182 | 106.8 Ų | 106.8 | 80% | 0.798 | 60% | 0.595 | S | S | * | * | trans | 67.9 | 86.3 | -168.3 | -63.4 | -80.9 | 0 | 0 | 0 | 115.7 | S716 | F714-S716 PolarHBondContact O-N 3.01Š| ||
| 715 | S | 28.5 | Very low | 50 | Low | 120 Ų | 120 | 107 Ų | 107 | 84% | 0.839 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 123.9 | 139.4 | 44.5 | 0 | 0 | 0 | 0 | 108.9 | P717 | S715-P717 WeakPolarHBondContact O-CD 3.39Š|
| 716 | S | 26.9 | Very low | 50.3 | Low | 106 Ų | 106 | 105.6 Ų | 105.6 | 74% | 0.741 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 117 | -163.2 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | F714 | F714-S716 PolarHBondContact O-N 3.01Š|
| 717 | P | 33 | Very low | 50.9 | Low | 104 Ų | 104 | 108.9 Ų | 108.9 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 135.1 | 144.1 | 31.4 | -31.9 | 0 | 0 | 0 | 107.8 | S715 R719 | S715-P717 WeakPolarHBondContact O-CD 3.39Å; P717-R719 PolarHBondContact O-N 3.41Å |
| 718 | Q | 36.5 | Very low | 51.9 | Low | 178 Ų | 178 | 107 Ų | 107 | 83% | 0.832 | 58% | 0.575 | S | S | * | * | trans | -55.2 | 108.3 | -176.7 | -66.1 | 177.5 | -37.2 | 0 | 0 | 111.7 | R720 | Q718-R720 PolarHBondContact O-N 2.99Š| ||
| 719 | R | 39.1 | Very low | 53.3 | Low | 250 Ų | 250 | 104.2 Ų | 104.2 | 94% | 0.943 | 55% | 0.552 | S | S | * | * | trans | -66.6 | 105.3 | 168.9 | -81.7 | -167.2 | 178.4 | -169.2 | 2.5 | 109 | P717 | P717-R719 PolarHBondContact O-N 3.41Š| ||
| 720 | R | 53.3 | Low | 55.2 | Low | 197 Ų | 197 | 98.6 Ų | 98.6 | 74% | 0.743 | 52% | 0.523 | S | S | * | . | trans | -67.5 | 140.3 | 168.5 | -65.6 | -178.6 | 177.1 | -124.8 | -4.7 | 109.3 | Q718 | Q718-R720 PolarHBondContact O-N 2.99Š| ||
| 721 | F | 62.3 | Low | 57.2 | Low | 45 Ų | 45 | 91.3 Ų | 91.3 | 20% | 0.197 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -70.2 | 144 | 172.9 | 177 | -92.1 | 0 | 0 | 0 | 111.7 | M728 Y824 L836 Q839 W840 S843 | F721-M728 HydrophobicContact CD1-CE 4.02Å; F721-M728 HydrophobicContact CE1-CE 3.73Å; F721-Y824 WeakPolarHBondContact CE2-OH 3.47Å; F721-Y824 HydrophobicContact CZ-CE1 4.35Å; F721-L836 HydrophobicContact CE1-CD1 4.18Å; F721-L836 HydrophobicContact CZ-CD1 4.23Å; F721-Q839 HydrophobicContact CE1-CB 4.35Å; F721-Q839 HydrophobicContact CE2-CB 3.6Å; F721-Q839 HydrophobicContact CZ-CB 3.42Å; F721-Q839 VanDerWaalsContact CZ-CB 3.42Å; F721-W840 HydrophobicContact CD1-CB 3.91Å; F721-W840 HydrophobicContact CD1-CG 4.43Å; F721-W840 HydrophobicContact CE1-CB 3.73Å; F721-S843 VanDerWaalsContact CB-CB 3.42Å; F721-S843 VanDerWaalsContact CB-OG 3.23Å; F721-S843 WeakPolarHBondContact CB-OG 3.38Å |
| 722 | G | 67.5 | Low | 59.3 | Low | 11 Ų | 11 | 88 Ų | 88 | 11% | 0.113 | 45% | 0.454 | C | S | . | . | S | Bend | trans | 104.4 | -175.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 723 | P | 74.3 | Confident | 61.4 | Low | 12 Ų | 12 | 84.7 Ų | 84.7 | 8% | 0.078 | 43% | 0.428 | C | S | . | . | trans | -66.1 | 139.8 | 179.5 | -18 | 31.2 | 0 | 0 | 0 | 111.4 | N725 L726 L821 Y824 | P723-N725 PolarHBondContact O-N 3.42Å; P723-L726 HydrophobicContact CB-CB 4.19Å; P723-L726 HydrophobicContact CB-CD1 3.76Å; P723-L726 HydrophobicContact CB-CG 3.97Å; P723-L726 HydrophobicContact CG-CB 4.39Å; P723-L726 HydrophobicContact CG-CD1 3.65Å; P723-L726 HydrophobicContact CG-CG 4.31Å; P723-L726 PolarHBondContact O-N 3.23Å; P723-L821 HydrophobicContact CG-CD1 4.1Å; P723-Y824 HydrophobicContact CG-CD1 4.28Å; P723-Y824 HydrophobicContact CG-CD2 4.33Å; P723-Y824 HydrophobicContact CG-CG 3.85Å | ||
| 724 | P | 66.2 | Low | 63.6 | Low | 130 Ų | 130 | 81.7 Ų | 81.7 | 84% | 0.844 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26.9 | -166.7 | 22.4 | -34.3 | 0 | 0 | 0 | 114.9 | ||
| 725 | N | 71.8 | Confident | 66.1 | Low | 116 Ų | 116 | 73 Ų | 73 | 62% | 0.62 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -0.7 | -177.7 | -62 | -14.6 | 0 | 0 | 0 | 113.6 | P723 H771 | P723-N725 PolarHBondContact O-N 3.42Å; N725-H771 PolarHBondContact O-N 3.35Å; N725-H771 VanDerWaalsContact O-N 3.14Å |
| 726 | L | 79.7 | Confident | 68.7 | Low | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.9 | -171.3 | -57 | -177.6 | 0 | 0 | 0 | 111.9 | P723 V768 E817 D820 | P723-L726 HydrophobicContact CB-CB 4.19Å; P723-L726 HydrophobicContact CB-CD1 3.76Å; P723-L726 HydrophobicContact CB-CG 3.97Å; P723-L726 HydrophobicContact CG-CB 4.39Å; P723-L726 HydrophobicContact CG-CD1 3.65Å; P723-L726 HydrophobicContact CG-CG 4.31Å; P723-L726 PolarHBondContact O-N 3.23Å; L726-V768 HydrophobicContact CB-CG1 3.74Å; L726-V768 HydrophobicContact CD1-CG1 3.54Å; L726-V768 HydrophobicContact CD2-CG1 4.1Å; L726-V768 HydrophobicContact CG-CG1 3.98Å; L726-E817 HydrophobicContact CD2-CB 4.33Å; L726-E817 HydrophobicContact CD2-CG 4.21Å; L726-D820 HydrophobicContact CD1-CB 3.76Å |
| 727 | K | 79.8 | Confident | 71.2 | Confident | 102 Ų | 102 | 76.5 Ų | 76.5 | 44% | 0.443 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 137.9 | 162.4 | -63.9 | 174.3 | -178 | 172.7 | 0 | 108.3 | V768 S769 W776 | K727-V768 CarbonylContact O-C 3.58Å; K727-V768 WeakPolarHBondContact O-CA 3.36Å; K727-S769 PolarHBondContact N-O 2.95Å; K727-S769 PolarHBondContact O-N 3.37Å; K727-W776 HydrophobicContact CB-CH2 4.09Å; K727-W776 HydrophobicContact CB-CZ3 4.46Å; K727-W776 WeakPolarHBondContact O-CZ3 3.35Å |
| 728 | M | 83.1 | Confident | 73.4 | Confident | 21 Ų | 21 | 77 Ų | 77 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.5 | -177.1 | -175.1 | 173.5 | 71.6 | 0 | 0 | 111.4 | F721 F730 V766 L767 V768 L821 L836 W840 | F721-M728 HydrophobicContact CD1-CE 4.02Å; F721-M728 HydrophobicContact CE1-CE 3.73Å; M728-F730 HydrophobicContact CE-CE2 4.23Å; M728-V766 HydrophobicContact CG-CG2 3.57Å; M728-V766 HydrophobicContact SD-CG2 3.66Å; M728-L767 WeakPolarHBondContact CA-O 3.07Å; M728-V768 HydrophobicContact CG-CG2 4.23Å; M728-L821 HydrophobicContact SD-CD1 3.71Å; M728-L821 HydrophobicContact SD-CD2 3.83Å; M728-L821 HydrophobicContact SD-CG 4.47Å; M728-L836 HydrophobicContact CE-CD1 4.06Å; M728-L836 HydrophobicContact CE-CD2 4.3Å; M728-L836 HydrophobicContact CE-CG 4.1Å; M728-L836 HydrophobicContact SD-CD2 3.95Å; M728-L836 HydrophobicContact SD-CG 4.41Å; M728-W840 HydrophobicContact CE-CB 4.34Å; M728-W840 HydrophobicContact CE-CG 4.37Å; M728-W840 PolarHBondContact O-NE1 3.11Å |
| 729 | M | 83.3 | Confident | 75.2 | Confident | 22 Ų | 22 | 71.8 Ų | 71.8 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 158.6 | 175.7 | 68.2 | -170 | -51.8 | 0 | 0 | 111.4 | V731 L741 E743 L767 W776 | M729-V731 HydrophobicContact CE-CG1 4.26Å; M729-V731 HydrophobicContact CG-CG1 4.29Å; M729-L741 HydrophobicContact CE-CD1 4.06Å; M729-L741 HydrophobicContact CE-CD2 3.9Å; M729-L741 HydrophobicContact CE-CG 4.31Å; M729-L741 HydrophobicContact SD-CD1 3.95Å; M729-E743 HydrophobicContact CE-CG 4.06Å; M729-E743 WeakPolarHBondContact CE-OE1 3.41Å; M729-L767 HydrophobicContact CG-CB 3.98Å; M729-L767 PolarHBondContact N-O 2.7Å; M729-L767 PolarHBondContact O-N 2.89Å; M729-W776 HydrophobicContact CG-CE3 4.37Å; M729-W776 HydrophobicContact CG-CH2 3.93Å; M729-W776 HydrophobicContact CG-CZ2 4.45Å; M729-W776 HydrophobicContact CG-CZ3 3.88Å; M729-W776 HydrophobicContact SD-CD2 4.24Å; M729-W776 HydrophobicContact SD-CE3 4.28Å; M729-W776 HydrophobicContact SD-CH2 3.52Å; M729-W776 VanDerWaalsContact SD-CH2 3.52Å; M729-W776 HydrophobicContact SD-CZ2 3.46Å; M729-W776 WeakPolarHBondContact SD-CZ2 3.28Å; M729-W776 HydrophobicContact SD-CZ3 3.95Å |
| 730 | F | 86.6 | Confident | 77 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 2% | 0.022 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.1 | 176.3 | -73.3 | -99.9 | 0 | 0 | 0 | 111 | M728 W759 V765 V766 L836 Y837 W840 | M728-F730 HydrophobicContact CE-CE2 4.23Å; F730-W759 HydrophobicContact CB-CZ2 4.48Å; F730-V765 WeakPolarHBondContact CA-O 3.36Å; F730-V766 HydrophobicContact CD1-CB 4.07Å; F730-V766 HydrophobicContact CE1-CB 3.79Å; F730-V766 HydrophobicContact CE1-CG2 4.33Å; F730-V766 HydrophobicContact CE2-CG2 4.43Å; F730-V766 HydrophobicContact CZ-CB 4.15Å; F730-V766 HydrophobicContact CZ-CG2 4.19Å; F730-L836 HydrophobicContact CZ-CB 4.43Å; F730-L836 HydrophobicContact CZ-CD2 4.13Å; F730-L836 HydrophobicContact CZ-CG 4.1Å; F730-Y837 HydrophobicContact CB-CD2 3.91Å; F730-Y837 HydrophobicContact CB-CE2 3.92Å; F730-Y837 AromaticContact CD1-CD2 3.65Å; F730-Y837 HydrophobicContact CD1-CD2 3.65Å; F730-Y837 HydrophobicContact CD1-CE2 4.46Å; F730-Y837 HydrophobicContact CD1-CG 4.43Å; F730-Y837 AromaticContact CD2-CD2 3.76Å; F730-Y837 HydrophobicContact CD2-CD2 3.76Å; F730-Y837 HydrophobicContact CD2-CE2 4.41Å; F730-Y837 AromaticContact CE1-CD2 3.99Å; F730-Y837 HydrophobicContact CE1-CD2 3.99Å; F730-Y837 HydrophobicContact CE1-CG 4.41Å; F730-Y837 HydrophobicContact CE2-CD2 4.1Å; F730-Y837 AromaticContact CG-CD2 3.51Å; F730-Y837 HydrophobicContact CG-CD2 3.51Å; F730-Y837 HydrophobicContact CG-CE2 4.05Å; F730-Y837 HydrophobicContact CZ-CD2 4.21Å; F730-W840 HydrophobicContact CB-CZ3 4.4Å; F730-W840 HydrophobicContact CD2-CB 4.44Å; F730-W840 AromaticContact CD2-CD2 3.64Å; F730-W840 HydrophobicContact CD2-CD2 3.64Å; F730-W840 AromaticContact CD2-CE3 3.71Å; F730-W840 HydrophobicContact CD2-CE3 3.71Å; F730-W840 AromaticContact CD2-CG 3.98Å; F730-W840 HydrophobicContact CD2-CG 3.98Å; F730-W840 HydrophobicContact CD2-CZ3 4.22Å; F730-W840 HydrophobicContact CE2-CB 3.88Å; F730-W840 HydrophobicContact CE2-CD2 4Å; F730-W840 HydrophobicContact CE2-CE3 4.28Å; F730-W840 AromaticContact CE2-CG 3.83Å; F730-W840 HydrophobicContact CE2-CG 3.83Å |
| 731 | V | 86.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 163 | -176.4 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | M729 G733 W736 L741 S742 V765 L767 | M729-V731 HydrophobicContact CE-CG1 4.26Å; M729-V731 HydrophobicContact CG-CG1 4.29Å; V731-G733 PolarHBondContact O-N 3.43Å; V731-W736 HydrophobicContact CG2-CB 4.17Å; V731-W736 HydrophobicContact CG2-CG 4.48Å; V731-L741 HydrophobicContact CG1-CG 4.15Å; V731-S742 CarbonylContact C-O 3.46Å; V731-S742 VanDerWaalsContact CA-O 3.31Å; V731-S742 WeakPolarHBondContact CA-O 3.35Å; V731-S742 WeakPolarHBondContact CB-O 3.33Å; V731-V765 HydrophobicContact CG2-CB 4.25Å; V731-V765 PolarHBondContact N-O 2.86Å; V731-V765 PolarHBondContact O-N 3.14Å; V731-L767 HydrophobicContact CB-CD1 4.46Å; V731-L767 HydrophobicContact CG1-CD1 3.83Å; V731-L767 HydrophobicContact CG1-CG 4.39Å; V731-L767 HydrophobicContact CG2-CD1 3.76Å; V731-L767 HydrophobicContact CG2-CG 3.84Å |
| 732 | C | 83.9 | Confident | 79.2 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 116.6 | 168.8 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | Q734 C735 W736 S742 C751 W759 | C732-Q734 PolarHBondContact O-N 2.76Å; C732-C735 HydrophobicContact CB-CB 4.09Å; C732-C735 PolarHBondContact O-N 2.79Å; C732-C735 VanDerWaalsContact O-N 3.16Å; C732-W736 PolarHBondContact O-N 2.81Å; C732-S742 PolarHBondContact N-O 2.76Å; C732-C751 HydrophobicContact CB-CB 3.67Å; C732-W759 HydrophobicContact CB-CE3 4.41Å; C732-W759 HydrophobicContact CB-CZ3 3.94Å |
| 733 | G | 81.8 | Confident | 79.9 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -29 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V731 W736 R737 K763 V765 | V731-G733 PolarHBondContact O-N 3.43Å; G733-W736 PolarHBondContact O-N 2.89Å; G733-R737 WeakPolarHBondContact O-CG 3.21Å; G733-R737 PolarHBondContact O-N 3.35Å; G733-K763 PolarHBondContact N-O 2.88Å; G733-V765 VanDerWaalsContact CA-CG2 3.46Å |
| 734 | Q | 82 | Confident | 80.2 | Confident | 88 Ų | 88 | 61.8 Ų | 61.8 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -74.1 | -36 | 177.3 | -166.9 | 165.2 | 3.7 | 0 | 0 | 112.1 | C732 | C732-Q734 PolarHBondContact O-N 2.76Å |
| 735 | C | 83.4 | Confident | 80.8 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.2 | -43 | 168.9 | -61.4 | 0 | 0 | 0 | 0 | 111 | C732 R737 N738 G739 Q740 A753 H757 | C732-C735 HydrophobicContact CB-CB 4.09Å; C732-C735 PolarHBondContact O-N 2.79Å; C732-C735 VanDerWaalsContact O-N 3.16Å; C735-R737 PolarHBondContact O-N 3.49Å; C735-N738 CarbonylContact O-C 3.53Å; C735-N738 WeakPolarHBondContact O-CA 3.46Å; C735-N738 WeakPolarHBondContact O-CB 3.5Å; C735-N738 PolarHBondContact O-N 2.83Å; C735-G739 PolarHBondContact O-N 3.19Å; C735-Q740 CarbonylContact C-O 3.57Å; C735-Q740 HydrophobicContact CB-CB 4.12Å; C735-Q740 WeakPolarHBondContact CB-O 3.18Å; C735-Q740 PolarHBondContact O-N 2.86Å; C735-A753 VanDerWaalsContact SG-CB 3.54Å; C735-H757 PolarHBondContact SG-ND1 3.07Å |
| 736 | W | 82.4 | Confident | 81 | Confident | 77 Ų | 77 | 61.9 Ų | 61.9 | 29% | 0.292 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | -177.4 | -177.4 | -109.2 | 0 | 0 | 0 | 113.3 | V731 C732 G733 N738 G739 Q740 L767 W776 | V731-W736 HydrophobicContact CG2-CB 4.17Å; V731-W736 HydrophobicContact CG2-CG 4.48Å; C732-W736 PolarHBondContact O-N 2.81Å; G733-W736 PolarHBondContact O-N 2.89Å; W736-N738 PolarHBondContact O-N 2.86Å; W736-G739 PolarHBondContact O-N 3.25Å; W736-Q740 PolarHBondContact N-O 2.76Å; W736-L767 HydrophobicContact CD2-CD1 4.11Å; W736-L767 HydrophobicContact CD2-CD2 4.1Å; W736-L767 HydrophobicContact CE3-CD1 3.77Å; W736-L767 HydrophobicContact CH2-CD1 3.93Å; W736-L767 HydrophobicContact CH2-CD2 4.3Å; W736-L767 HydrophobicContact CZ2-CD1 4.25Å; W736-L767 HydrophobicContact CZ2-CD2 3.8Å; W736-L767 HydrophobicContact CZ3-CD1 3.68Å; W736-W776 HydrophobicContact CH2-CB 4.05Å |
| 737 | R | 79 | Confident | 80.6 | Confident | 222 Ų | 222 | 67 Ų | 67 | 84% | 0.838 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57 | -32.1 | 171 | -73 | 175.6 | -163.6 | -170.2 | 5.7 | 112.5 | G733 C735 G739 | G733-R737 WeakPolarHBondContact O-CG 3.21Å; G733-R737 PolarHBondContact O-N 3.35Å; C735-R737 PolarHBondContact O-N 3.49Å; R737-G739 VanDerWaalsContact C-N 3.29Å; R737-G739 PolarHBondContact O-N 2.96Å |
| 738 | N | 78.8 | Confident | 80.5 | Confident | 114 Ų | 114 | 66.8 Ų | 66.8 | 61% | 0.61 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 16.1 | 178.3 | -60.6 | 0.4 | 0 | 0 | 0 | 112.6 | C735 W736 Q740 | C735-N738 CarbonylContact O-C 3.53Å; C735-N738 WeakPolarHBondContact O-CA 3.46Å; C735-N738 WeakPolarHBondContact O-CB 3.5Å; C735-N738 PolarHBondContact O-N 2.83Å; W736-N738 PolarHBondContact O-N 2.86Å; N738-Q740 PolarHBondContact O-N 3.11Å |
| 739 | G | 74.9 | Confident | 80.3 | Confident | 69 Ų | 69 | 72.8 Ų | 72.8 | 71% | 0.711 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 6.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C735 W736 R737 | C735-G739 PolarHBondContact O-N 3.19Å; W736-G739 PolarHBondContact O-N 3.25Å; R737-G739 VanDerWaalsContact C-N 3.29Å; R737-G739 PolarHBondContact O-N 2.96Å |
| 740 | Q | 77.8 | Confident | 80.3 | Confident | 114 Ų | 114 | 76.9 Ų | 76.9 | 53% | 0.533 | 37% | 0.373 | S | S | . | . | trans | -101.9 | 118.9 | -177 | -65.9 | -177.5 | 6.2 | 0 | 0 | 111.3 | C735 W736 N738 S742 | C735-Q740 CarbonylContact C-O 3.57Å; C735-Q740 HydrophobicContact CB-CB 4.12Å; C735-Q740 WeakPolarHBondContact CB-O 3.18Å; C735-Q740 PolarHBondContact O-N 2.86Å; W736-Q740 PolarHBondContact N-O 2.76Å; N738-Q740 PolarHBondContact O-N 3.11Å; Q740-S742 PolarHBondContact O-N 3.49Å | ||
| 741 | L | 79.8 | Confident | 80.1 | Confident | 88 Ų | 88 | 76.7 Ų | 76.7 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | trans | -75.1 | 122.6 | 168.9 | -173.5 | 147 | 0 | 0 | 0 | 109 | M729 V731 L767 | M729-L741 HydrophobicContact CE-CD1 4.06Å; M729-L741 HydrophobicContact CE-CD2 3.9Å; M729-L741 HydrophobicContact CE-CG 4.31Å; M729-L741 HydrophobicContact SD-CD1 3.95Å; V731-L741 HydrophobicContact CG1-CG 4.15Å; L741-L767 HydrophobicContact CD1-CD1 4.48Å | ||
| 742 | S | 81.4 | Confident | 79.9 | Confident | 7 Ų | 7 | 82.7 Ų | 82.7 | 5% | 0.049 | 40% | 0.4 | C | S | . | . | trans | -150 | 119.6 | -178.2 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | V731 C732 Q740 Q752 A753 | V731-S742 CarbonylContact C-O 3.46Å; V731-S742 VanDerWaalsContact CA-O 3.31Å; V731-S742 WeakPolarHBondContact CA-O 3.35Å; V731-S742 WeakPolarHBondContact CB-O 3.33Å; C732-S742 PolarHBondContact N-O 2.76Å; Q740-S742 PolarHBondContact O-N 3.49Å; S742-Q752 PolarHBondContact OG-N 3.36Å; S742-A753 WeakPolarHBondContact OG-CB 3.41Å; S742-A753 PolarHBondContact OG-N 2.98Å | ||
| 743 | E | 81.9 | Confident | 79.7 | Confident | 76 Ų | 76 | 83.3 Ų | 83.3 | 36% | 0.355 | 41% | 0.405 | S | S | . | . | trans | -87.5 | -178.6 | 178.8 | -62.9 | -179 | -158.9 | 0 | 0 | 112.1 | M729 C751 Q752 W759 | M729-E743 HydrophobicContact CE-CG 4.06Å; M729-E743 WeakPolarHBondContact CE-OE1 3.41Å; E743-C751 CarbonylContact O-C 3.56Å; E743-C751 VanDerWaalsContact O-CA 3.28Å; E743-C751 WeakPolarHBondContact O-CA 3.44Å; E743-Q752 PolarHBondContact O-N 2.94Å; E743-W759 VanDerWaalsContact C-CZ3 3.48Å | ||
| 744 | A | 80.6 | Confident | 79.6 | Confident | 20 Ų | 20 | 93.4 Ų | 93.4 | 17% | 0.165 | 45% | 0.447 | C | S | . | . | B | Isolated β-bridge | trans | -70.5 | 142.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K748 Q752 W759 | A744-K748 HydrophobicContact CB-CG 4.21Å; A744-Q752 WeakPolarHBondContact O-CG 3.37Å; A744-Q752 PolarHBondContact O-NE2 3.19Å; A744-W759 HydrophobicContact CB-CD2 3.83Å; A744-W759 HydrophobicContact CB-CE3 4.11Å; A744-W759 HydrophobicContact CB-CG 4.4Å; A744-W759 HydrophobicContact CB-CH2 4.04Å; A744-W759 HydrophobicContact CB-CZ2 3.75Å; A744-W759 HydrophobicContact CB-CZ3 4.2Å |
| 745 | D | 79.9 | Confident | 79.4 | Confident | 56 Ų | 56 | 92.6 Ų | 92.6 | 30% | 0.299 | 46% | 0.455 | S | S | . | . | trans | -62.9 | 162.8 | 164.6 | 178.4 | 38.4 | 0 | 0 | 0 | 111.1 | N747 K748 Y750 | D745-N747 PolarHBondContact O-N 3.45Å; D745-N747 VanDerWaalsContact O-N 3.09Å; D745-K748 WeakPolarHBondContact O-CA 3.47Å; D745-K748 PolarHBondContact O-N 2.9Å; D745-Y750 WeakPolarHBondContact CB-O 3.35Å; D745-Y750 PolarHBondContact N-O 2.9Å | ||
| 746 | K | 74.8 | Confident | 79.3 | Confident | 192 Ų | 192 | 101 Ų | 101 | 84% | 0.835 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -39.6 | -178.4 | -64.1 | -177.8 | 178.6 | -178.4 | 0 | 112.7 | K748 | K746-K748 VanDerWaalsContact C-N 3.34Š|
| 747 | N | 72.2 | Confident | 79.2 | Confident | 126 Ų | 126 | 99.1 Ų | 99.1 | 67% | 0.674 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -1.8 | -179.7 | -67.3 | -10.2 | 0 | 0 | 0 | 113.8 | D745 K749 | D745-N747 PolarHBondContact O-N 3.45Å; D745-N747 VanDerWaalsContact O-N 3.09Å; N747-K749 PolarHBondContact O-N 3.47Å |
| 748 | K | 77.5 | Confident | 79.3 | Confident | 96 Ų | 96 | 91.1 Ų | 91.1 | 42% | 0.417 | 46% | 0.457 | S | S | . | . | S | Bend | trans | 56.2 | 19.1 | 175 | -55.3 | 173.4 | -171 | 173.8 | 0 | 115.7 | A744 D745 K746 W759 L841 | A744-K748 HydrophobicContact CB-CG 4.21Å; D745-K748 WeakPolarHBondContact O-CA 3.47Å; D745-K748 PolarHBondContact O-N 2.9Å; K746-K748 VanDerWaalsContact C-N 3.34Å; K748-W759 WeakPolarHBondContact O-CB 3.48Å; K748-L841 HydrophobicContact CD-CD1 4.05Å; K748-L841 HydrophobicContact CD-CD2 3.97Å |
| 749 | K | 77.7 | Confident | 79.4 | Confident | 148 Ų | 148 | 86.9 Ų | 86.9 | 64% | 0.643 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -89.6 | -26.6 | 174.1 | -66.1 | -174.6 | 179.1 | -174.6 | 0 | 113.3 | N747 W759 | N747-K749 PolarHBondContact O-N 3.47Å; K749-W759 PolarHBondContact O-N 3.02Å |
| 750 | Y | 83.1 | Confident | 79.5 | Confident | 108 Ų | 108 | 86.4 Ų | 86.4 | 42% | 0.424 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -137.7 | 163.6 | -176.8 | -54.1 | -75.5 | 0 | 0 | 0 | 111 | D745 R756 H757 T758 | D745-Y750 WeakPolarHBondContact CB-O 3.35Å; D745-Y750 PolarHBondContact N-O 2.9Å; Y750-R756 VanDerWaalsContact CD1-O 3.27Å; Y750-R756 WeakPolarHBondContact CD1-O 3.39Å; Y750-H757 CarbonylContact C-O 3.45Å; Y750-H757 VanDerWaalsContact CA-O 3.25Å; Y750-H757 WeakPolarHBondContact CA-O 3.19Å; Y750-T758 HydrophobicContact CE1-CG2 4.48Å |
| 751 | C | 84.1 | Confident | 79.5 | Confident | 1 Ų | 1 | 85.6 Ų | 85.6 | 1% | 0.007 | 41% | 0.411 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 158.1 | 166.6 | 72.1 | 0 | 0 | 0 | 0 | 112.4 | C732 E743 A753 H757 W759 | C732-C751 HydrophobicContact CB-CB 3.67Å; E743-C751 CarbonylContact O-C 3.56Å; E743-C751 VanDerWaalsContact O-CA 3.28Å; E743-C751 WeakPolarHBondContact O-CA 3.44Å; C751-A753 VanDerWaalsContact C-N 3.27Å; C751-A753 PolarHBondContact O-N 2.83Å; C751-H757 PolarHBondContact N-O 3.07Å; C751-H757 PolarHBondContact SG-N 2.82Å; C751-W759 HydrophobicContact CB-CE3 3.94Å; C751-W759 HydrophobicContact CB-CZ3 4.05Å |
| 752 | Q | 81.6 | Confident | 79.1 | Confident | 125 Ų | 125 | 88.2 Ų | 88.2 | 58% | 0.584 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -71.6 | -12.2 | -179.7 | -63.9 | 177.4 | 18.9 | 0 | 0 | 115 | S742 E743 A744 | S742-Q752 PolarHBondContact OG-N 3.36Å; E743-Q752 PolarHBondContact O-N 2.94Å; A744-Q752 WeakPolarHBondContact O-CG 3.37Å; A744-Q752 PolarHBondContact O-NE2 3.19Å |
| 753 | A | 79.9 | Confident | 78.8 | Confident | 14 Ų | 14 | 91.8 Ų | 91.8 | 12% | 0.116 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -63.8 | 155.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C735 S742 C751 A755 R756 | C735-A753 VanDerWaalsContact SG-CB 3.54Å; S742-A753 WeakPolarHBondContact OG-CB 3.41Å; S742-A753 PolarHBondContact OG-N 2.98Å; C751-A753 VanDerWaalsContact C-N 3.27Å; C751-A753 PolarHBondContact O-N 2.83Å; A753-A755 PolarHBondContact O-N 3.31Å; A753-R756 PolarHBondContact O-N 3.26Å |
| 754 | K | 78.6 | Confident | 78.9 | Confident | 219 Ų | 219 | 90.6 Ų | 90.6 | 95% | 0.952 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -30.9 | -179.7 | -66.1 | -174.9 | 178.2 | -177.8 | 0 | 113.8 | ||
| 755 | A | 77.3 | Confident | 79 | Confident | 71 Ų | 71 | 91.4 Ų | 91.4 | 59% | 0.587 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -7.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A753 H757 | A753-A755 PolarHBondContact O-N 3.31Å; A755-H757 PolarHBondContact O-N 3.28Å |
| 756 | R | 81.4 | Confident | 79.3 | Confident | 179 Ų | 179 | 89 Ų | 89 | 68% | 0.675 | 42% | 0.422 | S | S | * | . | trans | 43.9 | 50.7 | 175.5 | -67.6 | -174.9 | 168.1 | -171.1 | -3.5 | 115 | Y750 A753 | Y750-R756 VanDerWaalsContact CD1-O 3.27Å; Y750-R756 WeakPolarHBondContact CD1-O 3.39Å; A753-R756 PolarHBondContact O-N 3.26Å | ||
| 757 | H | 81.2 | Confident | 79.6 | Confident | 36 Ų | 36 | 79.9 Ų | 79.9 | 17% | 0.167 | 38% | 0.383 | C | S | . | . | trans | -56.9 | 142.6 | 175.7 | -52.3 | 120.4 | 0 | 0 | 0 | 112 | C735 Y750 C751 A755 W759 | C735-H757 PolarHBondContact SG-ND1 3.07Å; Y750-H757 CarbonylContact C-O 3.45Å; Y750-H757 VanDerWaalsContact CA-O 3.25Å; Y750-H757 WeakPolarHBondContact CA-O 3.19Å; C751-H757 PolarHBondContact N-O 3.07Å; C751-H757 PolarHBondContact SG-N 2.82Å; A755-H757 PolarHBondContact O-N 3.28Å; H757-W759 PolarHBondContact O-N 3.47Å | ||
| 758 | T | 80.6 | Confident | 80.2 | Confident | 54 Ų | 54 | 73.9 Ų | 73.9 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -59.1 | 130.4 | 177.3 | 57.4 | 0 | 0 | 0 | 0 | 112.1 | Y750 T760 K763 | Y750-T758 HydrophobicContact CE1-CG2 4.48Å; T758-T760 PolarHBondContact O-N 3.07Å; T758-T760 VanDerWaalsContact O-N 3.14Å; T758-K763 WeakPolarHBondContact O-CD 3.46Å; T758-K763 WeakPolarHBondContact OG1-CD 3.43Å; T758-K763 PolarHBondContact OG1-NZ 2.9Å |
| 759 | W | 80.9 | Confident | 80.4 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 10% | 0.095 | 33% | 0.333 | C | S | . | . | trans | -89.9 | 68.3 | -177.2 | -165 | -94.4 | 0 | 0 | 0 | 112 | F730 C732 E743 A744 K748 K749 C751 H757 R764 Y837 | F730-W759 HydrophobicContact CB-CZ2 4.48Å; C732-W759 HydrophobicContact CB-CE3 4.41Å; C732-W759 HydrophobicContact CB-CZ3 3.94Å; E743-W759 VanDerWaalsContact C-CZ3 3.48Å; A744-W759 HydrophobicContact CB-CD2 3.83Å; A744-W759 HydrophobicContact CB-CE3 4.11Å; A744-W759 HydrophobicContact CB-CG 4.4Å; A744-W759 HydrophobicContact CB-CH2 4.04Å; A744-W759 HydrophobicContact CB-CZ2 3.75Å; A744-W759 HydrophobicContact CB-CZ3 4.2Å; K748-W759 WeakPolarHBondContact O-CB 3.48Å; K749-W759 PolarHBondContact O-N 3.02Å; C751-W759 HydrophobicContact CB-CE3 3.94Å; C751-W759 HydrophobicContact CB-CZ3 4.05Å; H757-W759 PolarHBondContact O-N 3.47Å; W759-R764 HydrophobicContact CZ2-CG 4.21Å; W759-Y837 HydrophobicContact CZ2-CE2 4.36Å; W759-Y837 AromaticContact NE1-CZ 3.65Å; W759-Y837 PolarHBondContact NE1-OH 3.02Å | ||
| 760 | T | 78.2 | Confident | 80.4 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 36% | 0.362 | 31% | 0.306 | S | S | . | . | trans | -99.4 | 163.8 | -179.4 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | T758 D762 K763 R764 | T758-T760 PolarHBondContact O-N 3.07Å; T758-T760 VanDerWaalsContact O-N 3.14Å; T760-D762 VanDerWaalsContact C-N 3.33Å; T760-D762 PolarHBondContact O-N 3.48Å; T760-K763 PolarHBondContact O-N 3.29Å; T760-K763 WeakPolarHBondContact OG1-CD 3.48Å; T760-K763 WeakPolarHBondContact OG1-CG 3.33Å; T760-R764 PolarHBondContact O-N 2.94Å | ||
| 761 | K | 75.9 | Confident | 79.8 | Confident | 98 Ų | 98 | 64 Ų | 64 | 43% | 0.426 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -41.2 | -58.1 | -178.3 | 178.7 | 167 | -165.9 | 133.6 | 0 | 112.8 | K763 R764 D832 D834 | K761-K763 PolarHBondContact O-N 2.87Å; K761-R764 PolarHBondContact O-N 3.49Å; K761-D832 IonicContact NZ-OD2 3.01Å; K761-D832 PolarHBondContact NZ-OD2 2.95Å; K761-D834 WeakPolarHBondContact CD-OD2 3.46Å; K761-D834 VanDerWaalsContact CE-CG 3.41Å; K761-D834 WeakPolarHBondContact CE-OD1 3.44Å; K761-D834 WeakPolarHBondContact CE-OD2 3.48Å; K761-D834 WeakPolarHBondContact CG-OD1 3.36Å; K761-D834 WeakPolarHBondContact CG-OD2 3.43Å; K761-D834 IonicContact NZ-OD1 3.82Å; K761-D834 IonicContact NZ-OD2 2.84Å; K761-D834 PolarHBondContact NZ-OD2 3.21Å |
| 762 | D | 71.5 | Confident | 78.8 | Confident | 142 Ų | 142 | 71.8 Ų | 71.8 | 76% | 0.759 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -77.8 | -5.5 | -169.8 | -30.7 | -80.2 | 0 | 0 | 0 | 113.1 | T760 | T760-D762 VanDerWaalsContact C-N 3.33Å; T760-D762 PolarHBondContact O-N 3.48Å |
| 763 | K | 76.4 | Confident | 78 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -106.8 | -3 | 177.7 | -62.3 | -177.4 | -172.7 | -178.2 | 0 | 112.7 | G733 T758 T760 K761 | G733-K763 PolarHBondContact N-O 2.88Å; T758-K763 WeakPolarHBondContact O-CD 3.46Å; T758-K763 WeakPolarHBondContact OG1-CD 3.43Å; T758-K763 PolarHBondContact OG1-NZ 2.9Å; T760-K763 PolarHBondContact O-N 3.29Å; T760-K763 WeakPolarHBondContact OG1-CD 3.48Å; T760-K763 WeakPolarHBondContact OG1-CG 3.33Å; K761-K763 PolarHBondContact O-N 2.87Å |
| 764 | R | 83.8 | Confident | 77.5 | Confident | 51 Ų | 51 | 80 Ų | 80 | 19% | 0.192 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 136.3 | 169.6 | -65.2 | -177.4 | -67.3 | -146 | -3.6 | 110 | W759 T760 K761 D834 Y837 | W759-R764 HydrophobicContact CZ2-CG 4.21Å; T760-R764 PolarHBondContact O-N 2.94Å; K761-R764 PolarHBondContact O-N 3.49Å; R764-D834 IonicContact CZ-OD1 2.92Å; R764-D834 IonicContact NH2-OD1 2.57Å; R764-D834 PolarHBondContact NH2-OD1 2.85Å; R764-D834 IonicContact NH2-OD2 2.73Å; R764-D834 PolarHBondContact NH2-OD2 2.76Å; R764-Y837 VanDerWaalsContact NH1-CE1 3.34Å |
| 765 | V | 81.4 | Confident | 77.5 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.6 | 170.7 | 172.5 | 0 | 0 | 0 | 0 | 108.6 | F730 V731 G733 L767 T778 | F730-V765 WeakPolarHBondContact CA-O 3.36Å; V731-V765 HydrophobicContact CG2-CB 4.25Å; V731-V765 PolarHBondContact N-O 2.86Å; V731-V765 PolarHBondContact O-N 3.14Å; G733-V765 VanDerWaalsContact CA-CG2 3.46Å; V765-L767 HydrophobicContact CG1-CD2 4.24Å; V765-T778 HydrophobicContact CG1-CG2 3.84Å |
| 766 | V | 86.1 | Confident | 77.7 | Confident | 6 Ų | 6 | 77.2 Ų | 77.2 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 125.9 | 171.4 | 56.2 | 0 | 0 | 0 | 0 | 109.7 | M728 F730 V768 V779 L821 M833 | M728-V766 HydrophobicContact CG-CG2 3.57Å; M728-V766 HydrophobicContact SD-CG2 3.66Å; F730-V766 HydrophobicContact CD1-CB 4.07Å; F730-V766 HydrophobicContact CE1-CB 3.79Å; F730-V766 HydrophobicContact CE1-CG2 4.33Å; F730-V766 HydrophobicContact CE2-CG2 4.43Å; F730-V766 HydrophobicContact CZ-CB 4.15Å; F730-V766 HydrophobicContact CZ-CG2 4.19Å; V766-V768 HydrophobicContact CG2-CG2 4.12Å; V766-V779 HydrophobicContact CG1-CB 4.02Å; V766-V779 WeakPolarHBondContact CG1-O 3.38Å; V766-V779 PolarHBondContact O-N 3.43Å; V766-V779 VanDerWaalsContact O-N 3.17Å; V766-L821 HydrophobicContact CG1-CD2 4.5Å; V766-L821 HydrophobicContact CG2-CD2 4.01Å; V766-M833 HydrophobicContact CG1-CE 3.98Å; V766-M833 HydrophobicContact CG1-SD 3.88Å |
| 767 | L | 83.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.8 | 170.8 | -62.9 | -177.6 | 0 | 0 | 0 | 109.3 | M728 M729 V731 W736 L741 V765 W776 T777 T778 | M728-L767 WeakPolarHBondContact CA-O 3.07Å; M729-L767 HydrophobicContact CG-CB 3.98Å; M729-L767 PolarHBondContact N-O 2.7Å; M729-L767 PolarHBondContact O-N 2.89Å; V731-L767 HydrophobicContact CB-CD1 4.46Å; V731-L767 HydrophobicContact CG1-CD1 3.83Å; V731-L767 HydrophobicContact CG1-CG 4.39Å; V731-L767 HydrophobicContact CG2-CD1 3.76Å; V731-L767 HydrophobicContact CG2-CG 3.84Å; W736-L767 HydrophobicContact CD2-CD1 4.11Å; W736-L767 HydrophobicContact CD2-CD2 4.1Å; W736-L767 HydrophobicContact CE3-CD1 3.77Å; W736-L767 HydrophobicContact CH2-CD1 3.93Å; W736-L767 HydrophobicContact CH2-CD2 4.3Å; W736-L767 HydrophobicContact CZ2-CD1 4.25Å; W736-L767 HydrophobicContact CZ2-CD2 3.8Å; W736-L767 HydrophobicContact CZ3-CD1 3.68Å; L741-L767 HydrophobicContact CD1-CD1 4.48Å; V765-L767 HydrophobicContact CG1-CD2 4.24Å; L767-W776 HydrophobicContact CB-CB 4.41Å; L767-W776 HydrophobicContact CB-CD2 4.29Å; L767-W776 HydrophobicContact CB-CE3 3.7Å; L767-W776 HydrophobicContact CB-CZ3 4.34Å; L767-W776 HydrophobicContact CD1-CB 4.27Å; L767-W776 HydrophobicContact CD1-CG 4.46Å; L767-T777 WeakPolarHBondContact CA-O 3.34Å; L767-T778 HydrophobicContact CD2-CG2 3.62Å |
| 768 | V | 84.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.9 | 178.1 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | L726 K727 M728 V766 T777 V779 E817 L821 | L726-V768 HydrophobicContact CB-CG1 3.74Å; L726-V768 HydrophobicContact CD1-CG1 3.54Å; L726-V768 HydrophobicContact CD2-CG1 4.1Å; L726-V768 HydrophobicContact CG-CG1 3.98Å; K727-V768 CarbonylContact O-C 3.58Å; K727-V768 WeakPolarHBondContact O-CA 3.36Å; M728-V768 HydrophobicContact CG-CG2 4.23Å; V766-V768 HydrophobicContact CG2-CG2 4.12Å; V768-T777 PolarHBondContact N-O 3.11Å; V768-T777 PolarHBondContact O-N 3.09Å; V768-V779 HydrophobicContact CB-CG2 4Å; V768-V779 HydrophobicContact CG2-CB 4.32Å; V768-V779 HydrophobicContact CG2-CG2 3.53Å; V768-E817 HydrophobicContact CB-CB 4.28Å; V768-E817 HydrophobicContact CG1-CB 3.95Å; V768-L821 HydrophobicContact CG2-CD2 3.66Å |
| 769 | S | 80.9 | Confident | 78 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 125.3 | 171 | 71.8 | 0 | 0 | 0 | 0 | 110.9 | K727 K775 | K727-S769 PolarHBondContact N-O 2.95Å; K727-S769 PolarHBondContact O-N 3.37Å; S769-K775 WeakPolarHBondContact CA-O 3.45Å; S769-K775 WeakPolarHBondContact CB-O 3.44Å |
| 770 | S | 78.2 | Confident | 78.3 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 8% | 0.077 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 143.7 | 166.2 | 161.9 | 0 | 0 | 0 | 0 | 110.8 | E772 R773 K774 | S770-E772 PolarHBondContact O-N 3.21Å; S770-E772 PolarHBondContact OG-N 3.35Å; S770-R773 PolarHBondContact O-N 3.21Å; S770-K774 PolarHBondContact O-N 3.33Å |
| 771 | H | 69.6 | Low | 78.3 | Confident | 126 Ų | 126 | 72.2 Ų | 72.2 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -33.1 | 175.4 | -166.6 | -103.8 | 0 | 0 | 0 | 113.1 | N725 | N725-H771 PolarHBondContact O-N 3.35Å; N725-H771 VanDerWaalsContact O-N 3.14Å |
| 772 | E | 63.4 | Low | 78.4 | Confident | 166 Ų | 166 | 68.6 Ų | 68.6 | 78% | 0.776 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -47.9 | -179.2 | -57.8 | 168.5 | 158.3 | 0 | 0 | 111.6 | S770 | S770-E772 PolarHBondContact O-N 3.21Å; S770-E772 PolarHBondContact OG-N 3.35Å |
| 773 | R | 64.6 | Low | 78.6 | Confident | 143 Ų | 143 | 62.8 Ų | 62.8 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -23.9 | -170.1 | -74.6 | 169 | 167.5 | -175.9 | -2.1 | 114.1 | S770 K775 E817 | S770-R773 PolarHBondContact O-N 3.21Å; R773-K775 PolarHBondContact O-N 3.09Å; R773-E817 WeakPolarHBondContact CD-OE1 3.43Å; R773-E817 IonicContact CZ-OE1 3.7Å; R773-E817 IonicContact NE-OE1 3.79Å; R773-E817 IonicContact NH1-OE1 2.81Å; R773-E817 PolarHBondContact NH1-OE1 2.85Å; R773-E817 IonicContact NH1-OE2 3.65Å |
| 774 | K | 69.9 | Low | 77.9 | Confident | 167 Ų | 167 | 65.6 Ų | 65.6 | 73% | 0.726 | 32% | 0.32 | S | S | * | . | trans | 53.6 | 9.4 | 177.6 | -57.8 | 178.1 | -176.6 | 172.2 | 0 | 116 | S770 | S770-K774 PolarHBondContact O-N 3.33Š| ||
| 775 | K | 79.1 | Confident | 76.7 | Confident | 152 Ų | 152 | 70.5 Ų | 70.5 | 66% | 0.661 | 34% | 0.343 | S | S | * | . | trans | -98 | 135.9 | 177.9 | -176.6 | 177.6 | -179.9 | 179.7 | 0 | 109.4 | S769 R773 | S769-K775 WeakPolarHBondContact CA-O 3.45Å; S769-K775 WeakPolarHBondContact CB-O 3.44Å; R773-K775 PolarHBondContact O-N 3.09Å | ||
| 776 | W | 81.1 | Confident | 75.3 | Confident | 81 Ų | 81 | 78 Ų | 78 | 31% | 0.307 | 37% | 0.372 | S | S | . | . | trans | -78.4 | 124.3 | 172.7 | -66.3 | 111.1 | 0 | 0 | 0 | 110.8 | K727 M729 W736 L767 | K727-W776 HydrophobicContact CB-CH2 4.09Å; K727-W776 HydrophobicContact CB-CZ3 4.46Å; K727-W776 WeakPolarHBondContact O-CZ3 3.35Å; M729-W776 HydrophobicContact CG-CE3 4.37Å; M729-W776 HydrophobicContact CG-CH2 3.93Å; M729-W776 HydrophobicContact CG-CZ2 4.45Å; M729-W776 HydrophobicContact CG-CZ3 3.88Å; M729-W776 HydrophobicContact SD-CD2 4.24Å; M729-W776 HydrophobicContact SD-CE3 4.28Å; M729-W776 HydrophobicContact SD-CH2 3.52Å; M729-W776 VanDerWaalsContact SD-CH2 3.52Å; M729-W776 HydrophobicContact SD-CZ2 3.46Å; M729-W776 WeakPolarHBondContact SD-CZ2 3.28Å; M729-W776 HydrophobicContact SD-CZ3 3.95Å; W736-W776 HydrophobicContact CH2-CB 4.05Å; L767-W776 HydrophobicContact CB-CB 4.41Å; L767-W776 HydrophobicContact CB-CD2 4.29Å; L767-W776 HydrophobicContact CB-CE3 3.7Å; L767-W776 HydrophobicContact CB-CZ3 4.34Å; L767-W776 HydrophobicContact CD1-CB 4.27Å; L767-W776 HydrophobicContact CD1-CG 4.46Å | ||
| 777 | T | 81.6 | Confident | 73.8 | Confident | 35 Ų | 35 | 83.7 Ų | 83.7 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.8 | 174.2 | -58.8 | 0 | 0 | 0 | 0 | 109 | L767 V768 | L767-T777 WeakPolarHBondContact CA-O 3.34Å; V768-T777 PolarHBondContact N-O 3.11Å; V768-T777 PolarHBondContact O-N 3.09Å |
| 778 | T | 84.6 | Confident | 72.6 | Confident | 65 Ų | 65 | 87.5 Ų | 87.5 | 40% | 0.399 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.1 | 171.3 | 50.4 | 0 | 0 | 0 | 0 | 110.1 | V765 L767 | V765-T778 HydrophobicContact CG1-CG2 3.84Å; L767-T778 HydrophobicContact CD2-CG2 3.62Å |
| 779 | V | 84.4 | Confident | 71.6 | Confident | 10 Ų | 10 | 89.9 Ų | 89.9 | 6% | 0.061 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.2 | 173.4 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | V766 V768 E818 L821 M833 | V766-V779 HydrophobicContact CG1-CB 4.02Å; V766-V779 WeakPolarHBondContact CG1-O 3.38Å; V766-V779 PolarHBondContact O-N 3.43Å; V766-V779 VanDerWaalsContact O-N 3.17Å; V768-V779 HydrophobicContact CB-CG2 4Å; V768-V779 HydrophobicContact CG2-CB 4.32Å; V768-V779 HydrophobicContact CG2-CG2 3.53Å; V779-E818 HydrophobicContact CG1-CB 4.18Å; V779-E818 HydrophobicContact CG1-CG 3.92Å; V779-E818 HydrophobicContact CG2-CB 4Å; V779-L821 HydrophobicContact CB-CD2 4.09Å; V779-L821 HydrophobicContact CG1-CB 4.45Å; V779-L821 HydrophobicContact CG1-CD2 3.9Å; V779-L821 HydrophobicContact CG2-CD2 4.29Å; V779-M833 HydrophobicContact CG1-CE 4.06Å |
| 780 | R | 85.4 | Confident | 70.5 | Confident | 47 Ų | 47 | 92.7 Ų | 92.7 | 18% | 0.177 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 161.4 | 178.1 | -62 | 172.1 | -66.7 | 143 | -5.4 | 111.1 | G808 C810 F812 E818 W822 M833 | R780-G808 PolarHBondContact NH1-O 3.07Å; R780-C810 PolarHBondContact NH1-O 3.05Å; R780-F812 PolarHBondContact NH2-O 2.91Å; R780-E818 WeakPolarHBondContact CB-OE1 3.4Å; R780-E818 WeakPolarHBondContact CG-OE1 3.35Å; R780-E818 IonicContact CZ-OE1 2.81Å; R780-E818 IonicContact CZ-OE2 2.75Å; R780-E818 PolarHBondContact N-OE1 2.95Å; R780-E818 IonicContact NE-OE1 3.82Å; R780-E818 PolarHBondContact NE-OE1 2.95Å; R780-E818 IonicContact NE-OE2 2.85Å; R780-E818 PolarHBondContact NE-OE2 3.47Å; R780-E818 IonicContact NH2-OE1 3.42Å; R780-E818 IonicContact NH2-OE2 3.9Å; R780-E818 PolarHBondContact NH2-OE2 3.38Å; R780-W822 HydrophobicContact CB-CZ2 4.25Å; R780-W822 VanDerWaalsContact NH2-CH2 3.3Å; R780-W822 PolarHBondContact O-NE1 3.29Å; R780-M833 WeakPolarHBondContact O-CE 3.32Å |
| 781 | P | 79.1 | Confident | 69.8 | Low | 90 Ų | 90 | 97.8 Ų | 97.8 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 157.9 | 167.1 | -24.5 | 35.1 | 0 | 0 | 0 | 112.8 | W822 M833 | P781-W822 WeakPolarHBondContact O-CZ2 3.4Å; P781-M833 HydrophobicContact CB-CG 4.37Å; P781-M833 HydrophobicContact CG-CG 4.4Å |
| 782 | L | 77.8 | Confident | 70.3 | Confident | 22 Ų | 22 | 92.2 Ų | 92.2 | 12% | 0.115 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 138.2 | 172.8 | -78.2 | 167.9 | 0 | 0 | 0 | 110.9 | T784 F792 W822 M825 | L782-T784 PolarHBondContact O-N 2.94Å; L782-F792 HydrophobicContact CD2-CE1 4.35Å; L782-F792 HydrophobicContact CD2-CE2 4.25Å; L782-F792 HydrophobicContact CD2-CZ 3.67Å; L782-W822 HydrophobicContact CD2-CB 3.89Å; L782-W822 HydrophobicContact CD2-CG 3.9Å; L782-M825 HydrophobicContact CD1-CB 4.15Å; L782-M825 HydrophobicContact CD1-CE 3.9Å; L782-M825 HydrophobicContact CD1-SD 4.42Å; L782-M825 HydrophobicContact CG-CE 4.16Å; L782-M825 HydrophobicContact CG-SD 4.26Å |
| 783 | P | 75.6 | Confident | 71.2 | Confident | 20 Ų | 20 | 90.5 Ų | 90.5 | 13% | 0.13 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 132 | 177 | -25 | 34.5 | 0 | 0 | 0 | 112.6 | K785 T811 W822 | P783-K785 VanDerWaalsContact C-N 3.3Å; P783-K785 PolarHBondContact O-N 3.05Å; P783-T811 HydrophobicContact CB-CG2 4.21Å; P783-W822 HydrophobicContact CG-CE3 4.46Å; P783-W822 HydrophobicContact CG-CH2 3.57Å; P783-W822 HydrophobicContact CG-CZ2 4.14Å; P783-W822 HydrophobicContact CG-CZ3 3.77Å |
| 784 | T | 62.5 | Low | 72.1 | Confident | 141 Ų | 141 | 86.2 Ų | 86.2 | 87% | 0.865 | 44% | 0.44 | S | S | * | . | trans | -76.7 | -8.2 | -172.1 | 50.7 | 0 | 0 | 0 | 0 | 115.1 | L782 K786 | L782-T784 PolarHBondContact O-N 2.94Å; T784-K786 PolarHBondContact O-N 3.38Å | ||
| 785 | K | 58.3 | Low | 72.7 | Confident | 154 Ų | 154 | 78.5 Ų | 78.5 | 67% | 0.67 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 120.5 | 177.3 | -71 | -165.6 | 177.9 | -174.8 | 0 | 110.7 | P783 P787 T811 | P783-K785 VanDerWaalsContact C-N 3.3Å; P783-K785 PolarHBondContact O-N 3.05Å; K785-P787 CarbonylContact O-C 3.55Å; K785-T811 HydrophobicContact CD-CG2 4.14Å; K785-T811 HydrophobicContact CG-CG2 4.49Å |
| 786 | K | 51 | Low | 72.8 | Confident | 197 Ų | 197 | 78.3 Ų | 78.3 | 86% | 0.857 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -86.6 | 141.8 | 164.4 | -65.3 | -179.7 | -180 | 178.5 | 0 | 109.2 | T784 | T784-K786 PolarHBondContact O-N 3.38Š|
| 787 | P | 54.6 | Low | 72.8 | Confident | 124 Ų | 124 | 77.3 Ų | 77.3 | 81% | 0.805 | 41% | 0.409 | S | S | * | . | S | Bend | cis | -72.3 | 146.2 | -7.5 | 31.6 | -35.2 | 0 | 0 | 0 | 112.2 | K785 | K785-P787 CarbonylContact O-C 3.55Š|
| 788 | I | 59 | Low | 72.7 | Confident | 80 Ų | 80 | 78.1 Ų | 78.1 | 41% | 0.41 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 128.3 | 176.4 | -60.4 | 174.5 | 0 | 0 | 0 | 108.7 | F792 K826 | I788-F792 HydrophobicContact CG2-CE1 4.17Å; I788-F792 HydrophobicContact CG2-CZ 3.68Å; I788-K826 HydrophobicContact CG2-CD 4.41Å |
| 789 | P | 63.4 | Low | 72.5 | Confident | 51 Ų | 51 | 80 Ų | 80 | 33% | 0.331 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 144.1 | -175.1 | -32.3 | 37 | 0 | 0 | 0 | 114.6 | Q791 K826 | P789-Q791 VanDerWaalsContact CB-O 3.26Å; P789-Q791 WeakPolarHBondContact CB-O 3.41Å; P789-Q791 PolarHBondContact O-N 2.96Å; P789-K826 PolarHBondContact O-NZ 2.97Å |
| 790 | S | 57.7 | Low | 72.3 | Confident | 65 Ų | 65 | 82.4 Ų | 82.4 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -55.7 | -48.1 | -177.4 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | K826 | S790-K826 PolarHBondContact O-NZ 3.11Š|
| 791 | Q | 63 | Low | 71.9 | Confident | 117 Ų | 117 | 83.7 Ų | 83.7 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -125.6 | 163.8 | 167.4 | -56.9 | -179.1 | 16.6 | 0 | 0 | 108.4 | P789 | P789-Q791 VanDerWaalsContact CB-O 3.26Å; P789-Q791 WeakPolarHBondContact CB-O 3.41Å; P789-Q791 PolarHBondContact O-N 2.96Å |
| 792 | F | 80.7 | Confident | 71.9 | Confident | 10 Ų | 10 | 86.2 Ų | 86.2 | 4% | 0.044 | 48% | 0.476 | C | S | . | . | trans | -99.5 | 133.2 | 171.9 | -64.5 | -77.5 | 0 | 0 | 0 | 110 | L782 I788 R819 W822 K826 | L782-F792 HydrophobicContact CD2-CE1 4.35Å; L782-F792 HydrophobicContact CD2-CE2 4.25Å; L782-F792 HydrophobicContact CD2-CZ 3.67Å; I788-F792 HydrophobicContact CG2-CE1 4.17Å; I788-F792 HydrophobicContact CG2-CZ 3.68Å; F792-R819 HydrophobicContact CB-CG 3.93Å; F792-R819 VanDerWaalsContact O-CD 3.25Å; F792-R819 WeakPolarHBondContact O-CD 3.17Å; F792-R819 WeakPolarHBondContact O-CG 3.25Å; F792-W822 HydrophobicContact CB-CE3 4.26Å; F792-W822 HydrophobicContact CD1-CB 4.38Å; F792-W822 HydrophobicContact CD1-CD2 4.38Å; F792-W822 AromaticContact CD1-CE3 3.48Å; F792-W822 HydrophobicContact CD1-CE3 3.48Å; F792-W822 VanDerWaalsContact CD1-CE3 3.48Å; F792-W822 HydrophobicContact CD1-CZ3 4.08Å; F792-W822 HydrophobicContact CD2-CB 3.64Å; F792-W822 HydrophobicContact CE1-CB 4.42Å; F792-W822 AromaticContact CE1-CE3 3.93Å; F792-W822 HydrophobicContact CE1-CE3 3.93Å; F792-W822 HydrophobicContact CE2-CB 3.7Å; F792-W822 WeakPolarHBondContact CE2-O 3.35Å; F792-W822 HydrophobicContact CG-CB 4Å; F792-W822 AromaticContact CG-CE3 3.89Å; F792-W822 HydrophobicContact CG-CE3 3.89Å; F792-W822 HydrophobicContact CZ-CB 4.1Å; F792-K826 HydrophobicContact CE2-CB 4.24Å; F792-K826 HydrophobicContact CE2-CD 4.05Å; F792-K826 HydrophobicContact CZ-CD 4.49Å | ||
| 793 | E | 82 | Confident | 71.9 | Confident | 129 Ų | 129 | 94.8 Ų | 94.8 | 60% | 0.603 | 51% | 0.512 | S | S | * | . | trans | -109.6 | 157.5 | 178.3 | -72.9 | 175.7 | -168.4 | 0 | 0 | 111.3 | F812 A813 | E793-F812 HydrophobicContact CB-CD1 4.02Å; E793-F812 HydrophobicContact CB-CE1 4.43Å; E793-A813 PolarHBondContact O-N 2.86Å | ||
| 794 | I | 84.3 | Confident | 72.1 | Confident | 54 Ų | 54 | 94.5 Ų | 94.5 | 28% | 0.277 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -83.2 | 132.6 | 177.1 | -57.2 | 176.2 | 0 | 0 | 0 | 109.1 | M796 A813 V816 | I794-M796 PolarHBondContact O-N 2.77Å; I794-A813 CarbonylContact C-O 3.58Å; I794-A813 WeakPolarHBondContact CA-O 3.41Å; I794-V816 HydrophobicContact CD1-CG2 3.81Å |
| 795 | C | 82.1 | Confident | 72.6 | Confident | 5 Ų | 5 | 95 Ų | 95 | 3% | 0.034 | 50% | 0.503 | C | S | . | . | trans | -56.2 | 120 | -177.5 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | H797 V798 T799 C804 F812 A813 | C795-H797 PolarHBondContact O-N 2.89Å; C795-V798 HydrophobicContact CB-CB 4.33Å; C795-V798 HydrophobicContact CB-CG2 3.98Å; C795-V798 WeakPolarHBondContact O-CA 3.37Å; C795-V798 WeakPolarHBondContact O-CB 3.46Å; C795-V798 PolarHBondContact O-N 2.91Å; C795-T799 PolarHBondContact O-N 3.45Å; C795-T799 PolarHBondContact O-OG1 3.21Å; C795-C804 VanDerWaalsContact SG-SG 3.61Å; C795-F812 HydrophobicContact CB-CB 3.74Å; C795-A813 PolarHBondContact N-O 2.74Å | ||
| 796 | M | 80.6 | Confident | 73 | Confident | 147 Ų | 147 | 94.6 Ų | 94.6 | 72% | 0.724 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -51.2 | -35.2 | -178.2 | -176.5 | 172.8 | 62.4 | 0 | 0 | 113.6 | I794 T799 A800 | I794-M796 PolarHBondContact O-N 2.77Å; M796-T799 PolarHBondContact O-N 2.95Å; M796-A800 VanDerWaalsContact O-CB 3.29Å; M796-A800 WeakPolarHBondContact O-CB 3.4Å; M796-A800 PolarHBondContact O-N 2.74Å |
| 797 | H | 80.3 | Confident | 73.6 | Confident | 60 Ų | 60 | 92.3 Ų | 92.3 | 28% | 0.278 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 174.4 | -66.4 | 140.8 | 0 | 0 | 0 | 112.8 | C795 A800 G801 K802 | C795-H797 PolarHBondContact O-N 2.89Å; H797-A800 CarbonylContact O-C 3.59Å; H797-A800 PolarHBondContact O-N 3.4Å; H797-G801 PolarHBondContact O-N 3.04Å; H797-K802 CarbonylContact C-O 3.54Å; H797-K802 WeakPolarHBondContact O-CA 3.39Å; H797-K802 PolarHBondContact O-N 3.14Å; H797-K802 VanDerWaalsContact O-O 3.05Å |
| 798 | V | 81.3 | Confident | 73.9 | Confident | 52 Ų | 52 | 88.8 Ų | 88.8 | 32% | 0.315 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.9 | -40.4 | 178.2 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | C795 A800 G801 C804 H814 | C795-V798 HydrophobicContact CB-CB 4.33Å; C795-V798 HydrophobicContact CB-CG2 3.98Å; C795-V798 WeakPolarHBondContact O-CA 3.37Å; C795-V798 WeakPolarHBondContact O-CB 3.46Å; C795-V798 PolarHBondContact O-N 2.91Å; V798-A800 VanDerWaalsContact C-N 3.25Å; V798-A800 PolarHBondContact O-N 3.24Å; V798-G801 PolarHBondContact O-N 3.02Å; V798-C804 HydrophobicContact CG2-CB 4.14Å; V798-H814 HydrophobicContact CG2-CB 4.36Å |
| 799 | T | 80.3 | Confident | 74.2 | Confident | 104 Ų | 104 | 92 Ų | 92 | 64% | 0.638 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.9 | -37.3 | 171.8 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | C795 M796 G801 | C795-T799 PolarHBondContact O-N 3.45Å; C795-T799 PolarHBondContact O-OG1 3.21Å; M796-T799 PolarHBondContact O-N 2.95Å; T799-G801 PolarHBondContact O-N 3.03Å |
| 800 | A | 79.9 | Confident | 74.8 | Confident | 61 Ų | 61 | 90 Ų | 90 | 50% | 0.504 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 11.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | M796 H797 V798 K802 | M796-A800 VanDerWaalsContact O-CB 3.29Å; M796-A800 WeakPolarHBondContact O-CB 3.4Å; M796-A800 PolarHBondContact O-N 2.74Å; H797-A800 CarbonylContact O-C 3.59Å; H797-A800 PolarHBondContact O-N 3.4Å; V798-A800 VanDerWaalsContact C-N 3.25Å; V798-A800 PolarHBondContact O-N 3.24Å; A800-K802 PolarHBondContact O-N 3.24Å |
| 801 | G | 75.7 | Confident | 75.7 | Confident | 74 Ų | 74 | 89 Ų | 89 | 76% | 0.763 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 7.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H797 V798 T799 | H797-G801 PolarHBondContact O-N 3.04Å; V798-G801 PolarHBondContact O-N 3.02Å; T799-G801 PolarHBondContact O-N 3.03Å |
| 802 | K | 79.6 | Confident | 76.6 | Confident | 144 Ų | 144 | 87.5 Ų | 87.5 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -94.7 | 149.4 | -178.7 | -63.3 | 178.2 | -177 | 179.1 | 0 | 110.7 | H797 A800 C804 | H797-K802 CarbonylContact C-O 3.54Å; H797-K802 WeakPolarHBondContact O-CA 3.39Å; H797-K802 PolarHBondContact O-N 3.14Å; H797-K802 VanDerWaalsContact O-O 3.05Å; A800-K802 PolarHBondContact O-N 3.24Å; K802-C804 PolarHBondContact O-N 3.32Å |
| 803 | K | 77.9 | Confident | 76.8 | Confident | 201 Ų | 201 | 87 Ų | 87 | 87% | 0.874 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 129.4 | 170.3 | -68.1 | -177.9 | -179.5 | 177.2 | 0 | 109.1 | Q805 | K803-Q805 PolarHBondContact O-N 2.98Š|
| 804 | C | 80.6 | Confident | 76.8 | Confident | 14 Ų | 14 | 83.7 Ų | 83.7 | 10% | 0.095 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 127.1 | 174.3 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | C795 V798 K802 Y806 H814 | C795-C804 VanDerWaalsContact SG-SG 3.61Å; V798-C804 HydrophobicContact CG2-CB 4.14Å; K802-C804 PolarHBondContact O-N 3.32Å; C804-Y806 VanDerWaalsContact C-N 3.3Å; C804-Y806 PolarHBondContact O-N 2.68Å; C804-H814 PolarHBondContact SG-NE2 3.37Å; C804-H814 VanDerWaalsContact SG-NE2 3.4Å |
| 805 | Q | 71.8 | Confident | 76.8 | Confident | 151 Ų | 151 | 81.9 Ų | 81.9 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -70.1 | -26.6 | 179 | -68.4 | 164.2 | -32.2 | 0 | 0 | 112.5 | K803 I807 | K803-Q805 PolarHBondContact O-N 2.98Å; Q805-I807 VanDerWaalsContact C-N 3.3Å; Q805-I807 PolarHBondContact O-N 2.81Å |
| 806 | Y | 67.4 | Low | 76.8 | Confident | 147 Ų | 147 | 83.6 Ų | 83.6 | 58% | 0.576 | 45% | 0.452 | S | S | * | . | trans | -85.6 | 64.5 | -179.3 | -59.1 | -75.4 | 0 | 0 | 0 | 111.9 | C804 G808 N809 C810 | C804-Y806 VanDerWaalsContact C-N 3.3Å; C804-Y806 PolarHBondContact O-N 2.68Å; Y806-G808 PolarHBondContact O-N 3Å; Y806-N809 PolarHBondContact O-N 3.38Å; Y806-C810 WeakPolarHBondContact O-CB 3.44Å; Y806-C810 PolarHBondContact O-N 2.96Å; Y806-C810 VanDerWaalsContact O-N 3.09Å | ||
| 807 | I | 62.9 | Low | 77.1 | Confident | 149 Ų | 149 | 76.8 Ų | 76.8 | 76% | 0.764 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 131.7 | 176.4 | -57.9 | 177.8 | 0 | 0 | 0 | 109.2 | Q805 N809 | Q805-I807 VanDerWaalsContact C-N 3.3Å; Q805-I807 PolarHBondContact O-N 2.81Å; I807-N809 PolarHBondContact O-N 3.47Å |
| 808 | G | 61.1 | Low | 77.3 | Confident | 50 Ų | 50 | 74.1 Ų | 74.1 | 52% | 0.515 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -59.6 | -172 | 0 | 0 | 0 | 0 | 0 | 113.2 | R780 Y806 C810 | R780-G808 PolarHBondContact NH1-O 3.07Å; Y806-G808 PolarHBondContact O-N 3Å; G808-C810 PolarHBondContact O-N 3.36Å |
| 809 | N | 65.1 | Low | 77.5 | Confident | 148 Ų | 148 | 75.8 Ų | 75.8 | 79% | 0.791 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1.8 | -164 | -66.4 | -14 | 0 | 0 | 0 | 115.9 | Y806 I807 T811 | Y806-N809 PolarHBondContact O-N 3.38Å; I807-N809 PolarHBondContact O-N 3.47Å; N809-T811 PolarHBondContact O-N 3Å |
| 810 | C | 76.7 | Confident | 77.7 | Confident | 7 Ų | 7 | 72.8 Ų | 72.8 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | trans | -65.5 | 121.2 | 177 | -167.5 | 0 | 0 | 0 | 0 | 111.9 | R780 Y806 G808 F812 H814 | R780-C810 PolarHBondContact NH1-O 3.05Å; Y806-C810 WeakPolarHBondContact O-CB 3.44Å; Y806-C810 PolarHBondContact O-N 2.96Å; Y806-C810 VanDerWaalsContact O-N 3.09Å; G808-C810 PolarHBondContact O-N 3.36Å; C810-F812 PolarHBondContact O-N 2.81Å; C810-H814 VanDerWaalsContact CB-NE2 3.3Å; C810-H814 WeakPolarHBondContact CB-NE2 3.49Å; C810-H814 PolarHBondContact SG-NE2 2.99Å; C810-H814 VanDerWaalsContact SG-NE2 3.42Å | ||
| 811 | T | 76.2 | Confident | 78 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 27% | 0.27 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -73.4 | -11.5 | 176.4 | 48.2 | 0 | 0 | 0 | 0 | 114.2 | P783 K785 N809 | P783-T811 HydrophobicContact CB-CG2 4.21Å; K785-T811 HydrophobicContact CD-CG2 4.14Å; K785-T811 HydrophobicContact CG-CG2 4.49Å; N809-T811 PolarHBondContact O-N 3Å |
| 812 | F | 83.2 | Confident | 78.5 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -96.9 | 151.4 | 178.3 | -59.9 | -91.2 | 0 | 0 | 0 | 110.5 | R780 E793 C795 C810 | R780-F812 PolarHBondContact NH2-O 2.91Å; E793-F812 HydrophobicContact CB-CD1 4.02Å; E793-F812 HydrophobicContact CB-CE1 4.43Å; C795-F812 HydrophobicContact CB-CB 3.74Å; C810-F812 PolarHBondContact O-N 2.81Å |
| 813 | A | 83.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -70.7 | 140.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E793 I794 C795 E818 R819 W822 | E793-A813 PolarHBondContact O-N 2.86Å; I794-A813 CarbonylContact C-O 3.58Å; I794-A813 WeakPolarHBondContact CA-O 3.41Å; C795-A813 PolarHBondContact N-O 2.74Å; A813-E818 HydrophobicContact CB-CB 4.34Å; A813-E818 HydrophobicContact CB-CG 4.02Å; A813-R819 HydrophobicContact CB-CB 3.79Å; A813-W822 HydrophobicContact CB-CE3 4.2Å; A813-W822 HydrophobicContact CB-CZ3 4.13Å |
| 814 | H | 82.9 | Confident | 78.9 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 27% | 0.269 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -93.2 | -0 | 175.1 | -69.1 | 177.9 | 0 | 0 | 0 | 112.4 | V798 C804 C810 E818 | V798-H814 HydrophobicContact CG2-CB 4.36Å; C804-H814 PolarHBondContact SG-NE2 3.37Å; C804-H814 VanDerWaalsContact SG-NE2 3.4Å; C810-H814 VanDerWaalsContact CB-NE2 3.3Å; C810-H814 WeakPolarHBondContact CB-NE2 3.49Å; C810-H814 PolarHBondContact SG-NE2 2.99Å; C810-H814 VanDerWaalsContact SG-NE2 3.42Å; H814-E818 PolarHBondContact N-OE2 3.1Å |
| 815 | S | 83.4 | Confident | 79.1 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 11% | 0.112 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -155.8 | 167.8 | 170.6 | 95.6 | 0 | 0 | 0 | 0 | 112.2 | E817 E818 R819 | S815-E817 VanDerWaalsContact C-N 3.3Å; S815-E817 WeakPolarHBondContact CB-OE2 3.46Å; S815-E817 PolarHBondContact OG-N 2.84Å; S815-E817 VanDerWaalsContact OG-N 3.17Å; S815-E817 PolarHBondContact OG-OE2 3.28Å; S815-E818 PolarHBondContact OG-N 3.3Å; S815-R819 PolarHBondContact O-N 3.23Å; S815-R819 VanDerWaalsContact O-N 3.09Å |
| 816 | V | 82.5 | Confident | 79.5 | Confident | 41 Ų | 41 | 49 Ų | 49 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 174 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | I794 E818 R819 D820 | I794-V816 HydrophobicContact CD1-CG2 3.81Å; V816-E818 PolarHBondContact O-N 3.2Å; V816-R819 WeakPolarHBondContact O-CB 3.46Å; V816-R819 PolarHBondContact O-N 2.83Å; V816-D820 WeakPolarHBondContact O-CB 3.37Å; V816-D820 PolarHBondContact O-N 2.99Å |
| 817 | E | 86.1 | Confident | 80 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.023 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69 | -33.9 | -178.7 | -50.3 | 77.8 | -170.1 | 0 | 0 | 112.1 | L726 V768 R773 S815 L821 | L726-E817 HydrophobicContact CD2-CB 4.33Å; L726-E817 HydrophobicContact CD2-CG 4.21Å; V768-E817 HydrophobicContact CB-CB 4.28Å; V768-E817 HydrophobicContact CG1-CB 3.95Å; R773-E817 WeakPolarHBondContact CD-OE1 3.43Å; R773-E817 IonicContact CZ-OE1 3.7Å; R773-E817 IonicContact NE-OE1 3.79Å; R773-E817 IonicContact NH1-OE1 2.81Å; R773-E817 PolarHBondContact NH1-OE1 2.85Å; R773-E817 IonicContact NH1-OE2 3.65Å; S815-E817 VanDerWaalsContact C-N 3.3Å; S815-E817 WeakPolarHBondContact CB-OE2 3.46Å; S815-E817 PolarHBondContact OG-N 2.84Å; S815-E817 VanDerWaalsContact OG-N 3.17Å; S815-E817 PolarHBondContact OG-OE2 3.28Å; E817-L821 WeakPolarHBondContact O-CB 3.38Å; E817-L821 PolarHBondContact O-N 3.22Å; E817-L821 VanDerWaalsContact O-N 3.15Å |
| 818 | E | 85.6 | Confident | 80.8 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.7 | -46.9 | 170.3 | 173.3 | 159.5 | -100.1 | 0 | 0 | 111.6 | V779 R780 A813 H814 S815 V816 D820 L821 W822 | V779-E818 HydrophobicContact CG1-CB 4.18Å; V779-E818 HydrophobicContact CG1-CG 3.92Å; V779-E818 HydrophobicContact CG2-CB 4Å; R780-E818 WeakPolarHBondContact CB-OE1 3.4Å; R780-E818 WeakPolarHBondContact CG-OE1 3.35Å; R780-E818 IonicContact CZ-OE1 2.81Å; R780-E818 IonicContact CZ-OE2 2.75Å; R780-E818 PolarHBondContact N-OE1 2.95Å; R780-E818 IonicContact NE-OE1 3.82Å; R780-E818 PolarHBondContact NE-OE1 2.95Å; R780-E818 IonicContact NE-OE2 2.85Å; R780-E818 PolarHBondContact NE-OE2 3.47Å; R780-E818 IonicContact NH2-OE1 3.42Å; R780-E818 IonicContact NH2-OE2 3.9Å; R780-E818 PolarHBondContact NH2-OE2 3.38Å; A813-E818 HydrophobicContact CB-CB 4.34Å; A813-E818 HydrophobicContact CB-CG 4.02Å; H814-E818 PolarHBondContact N-OE2 3.1Å; S815-E818 PolarHBondContact OG-N 3.3Å; V816-E818 PolarHBondContact O-N 3.2Å; E818-D820 VanDerWaalsContact C-N 3.32Å; E818-D820 PolarHBondContact O-N 3.34Å; E818-L821 PolarHBondContact O-N 2.82Å; E818-W822 HydrophobicContact CG-CD2 3.93Å; E818-W822 HydrophobicContact CG-CE3 4.32Å; E818-W822 HydrophobicContact CG-CG 4.47Å; E818-W822 HydrophobicContact CG-CH2 4.33Å; E818-W822 HydrophobicContact CG-CZ2 3.89Å; E818-W822 WeakPolarHBondContact O-CB 3.43Å; E818-W822 VanDerWaalsContact O-CG 3.3Å; E818-W822 PolarHBondContact O-N 2.85Å |
| 819 | R | 85.6 | Confident | 81.5 | Confident | 87 Ų | 87 | 48.6 Ų | 48.6 | 33% | 0.328 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -55.5 | -47.3 | 175.6 | -176 | -162.3 | 67.1 | 175.7 | -1 | 111.8 | F792 A813 S815 V816 W822 T823 | F792-R819 HydrophobicContact CB-CG 3.93Å; F792-R819 VanDerWaalsContact O-CD 3.25Å; F792-R819 WeakPolarHBondContact O-CD 3.17Å; F792-R819 WeakPolarHBondContact O-CG 3.25Å; A813-R819 HydrophobicContact CB-CB 3.79Å; S815-R819 PolarHBondContact O-N 3.23Å; S815-R819 VanDerWaalsContact O-N 3.09Å; V816-R819 WeakPolarHBondContact O-CB 3.46Å; V816-R819 PolarHBondContact O-N 2.83Å; R819-W822 PolarHBondContact O-N 3.24Å; R819-T823 WeakPolarHBondContact O-CB 3.49Å; R819-T823 PolarHBondContact O-N 2.8Å; R819-T823 PolarHBondContact O-OG1 3.28Å |
| 820 | D | 84.1 | Confident | 82.4 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 22% | 0.219 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.4 | -36.6 | -173.8 | -66.4 | -2 | 0 | 0 | 0 | 111.3 | L726 V816 E818 Y824 | L726-D820 HydrophobicContact CD1-CB 3.76Å; V816-D820 WeakPolarHBondContact O-CB 3.37Å; V816-D820 PolarHBondContact O-N 2.99Å; E818-D820 VanDerWaalsContact C-N 3.32Å; E818-D820 PolarHBondContact O-N 3.34Å; D820-Y824 WeakPolarHBondContact O-CB 3.39Å; D820-Y824 PolarHBondContact O-N 2.75Å |
| 821 | L | 85.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.2 | -43.3 | 172.4 | -177 | 61.8 | 0 | 0 | 0 | 112.2 | P723 M728 V766 V768 V779 E817 E818 T823 Y824 M825 L836 | P723-L821 HydrophobicContact CG-CD1 4.1Å; M728-L821 HydrophobicContact SD-CD1 3.71Å; M728-L821 HydrophobicContact SD-CD2 3.83Å; M728-L821 HydrophobicContact SD-CG 4.47Å; V766-L821 HydrophobicContact CG1-CD2 4.5Å; V766-L821 HydrophobicContact CG2-CD2 4.01Å; V768-L821 HydrophobicContact CG2-CD2 3.66Å; V779-L821 HydrophobicContact CB-CD2 4.09Å; V779-L821 HydrophobicContact CG1-CB 4.45Å; V779-L821 HydrophobicContact CG1-CD2 3.9Å; V779-L821 HydrophobicContact CG2-CD2 4.29Å; E817-L821 WeakPolarHBondContact O-CB 3.38Å; E817-L821 PolarHBondContact O-N 3.22Å; E817-L821 VanDerWaalsContact O-N 3.15Å; E818-L821 PolarHBondContact O-N 2.82Å; L821-T823 VanDerWaalsContact C-N 3.28Å; L821-T823 PolarHBondContact O-N 3.15Å; L821-Y824 HydrophobicContact CD1-CD1 4.12Å; L821-Y824 PolarHBondContact O-N 3.15Å; L821-M825 HydrophobicContact CD1-CG 4.47Å; L821-M825 HydrophobicContact CG-CG 4.46Å; L821-M825 HydrophobicContact CG-SD 4.46Å; L821-M825 WeakPolarHBondContact O-CG 3.35Å; L821-M825 PolarHBondContact O-N 3.34Å; L821-L836 HydrophobicContact CD1-CD1 4.41Å; L821-L836 HydrophobicContact CD1-CD2 4.11Å; L821-L836 HydrophobicContact CD2-CD2 3.97Å; L821-L836 HydrophobicContact CG-CD2 4.36Å |
| 822 | W | 86.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 175.2 | -74.1 | -4.5 | 0 | 0 | 0 | 112.1 | R780 P781 L782 P783 F792 A813 E818 R819 M825 K826 | R780-W822 HydrophobicContact CB-CZ2 4.25Å; R780-W822 VanDerWaalsContact NH2-CH2 3.3Å; R780-W822 PolarHBondContact O-NE1 3.29Å; P781-W822 WeakPolarHBondContact O-CZ2 3.4Å; L782-W822 HydrophobicContact CD2-CB 3.89Å; L782-W822 HydrophobicContact CD2-CG 3.9Å; P783-W822 HydrophobicContact CG-CE3 4.46Å; P783-W822 HydrophobicContact CG-CH2 3.57Å; P783-W822 HydrophobicContact CG-CZ2 4.14Å; P783-W822 HydrophobicContact CG-CZ3 3.77Å; F792-W822 HydrophobicContact CB-CE3 4.26Å; F792-W822 HydrophobicContact CD1-CB 4.38Å; F792-W822 HydrophobicContact CD1-CD2 4.38Å; F792-W822 AromaticContact CD1-CE3 3.48Å; F792-W822 HydrophobicContact CD1-CE3 3.48Å; F792-W822 VanDerWaalsContact CD1-CE3 3.48Å; F792-W822 HydrophobicContact CD1-CZ3 4.08Å; F792-W822 HydrophobicContact CD2-CB 3.64Å; F792-W822 HydrophobicContact CE1-CB 4.42Å; F792-W822 AromaticContact CE1-CE3 3.93Å; F792-W822 HydrophobicContact CE1-CE3 3.93Å; F792-W822 HydrophobicContact CE2-CB 3.7Å; F792-W822 WeakPolarHBondContact CE2-O 3.35Å; F792-W822 HydrophobicContact CG-CB 4Å; F792-W822 AromaticContact CG-CE3 3.89Å; F792-W822 HydrophobicContact CG-CE3 3.89Å; F792-W822 HydrophobicContact CZ-CB 4.1Å; A813-W822 HydrophobicContact CB-CE3 4.2Å; A813-W822 HydrophobicContact CB-CZ3 4.13Å; E818-W822 HydrophobicContact CG-CD2 3.93Å; E818-W822 HydrophobicContact CG-CE3 4.32Å; E818-W822 HydrophobicContact CG-CG 4.47Å; E818-W822 HydrophobicContact CG-CH2 4.33Å; E818-W822 HydrophobicContact CG-CZ2 3.89Å; E818-W822 WeakPolarHBondContact O-CB 3.43Å; E818-W822 VanDerWaalsContact O-CG 3.3Å; E818-W822 PolarHBondContact O-N 2.85Å; R819-W822 PolarHBondContact O-N 3.24Å; W822-M825 PolarHBondContact O-N 3.35Å; W822-K826 WeakPolarHBondContact O-CB 3.43Å; W822-K826 PolarHBondContact O-N 3.42Å |
| 823 | T | 83 | Confident | 82.3 | Confident | 46 Ų | 46 | 42.9 Ų | 42.9 | 28% | 0.282 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 174.9 | -56 | 0 | 0 | 0 | 0 | 111 | R819 L821 K826 E827 | R819-T823 WeakPolarHBondContact O-CB 3.49Å; R819-T823 PolarHBondContact O-N 2.8Å; R819-T823 PolarHBondContact O-OG1 3.28Å; L821-T823 VanDerWaalsContact C-N 3.28Å; L821-T823 PolarHBondContact O-N 3.15Å; T823-K826 PolarHBondContact O-N 3.49Å; T823-E827 HydrophobicContact CG2-CG 4.47Å; T823-E827 PolarHBondContact O-N 3.16Å |
| 824 | Y | 84.1 | Confident | 82.2 | Confident | 35 Ų | 35 | 44.3 Ų | 44.3 | 14% | 0.137 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 175.7 | 171.9 | -95.5 | 0 | 0 | 0 | 113.2 | F721 P723 D820 L821 K826 E827 N828 I830 L836 | F721-Y824 WeakPolarHBondContact CE2-OH 3.47Å; F721-Y824 HydrophobicContact CZ-CE1 4.35Å; P723-Y824 HydrophobicContact CG-CD1 4.28Å; P723-Y824 HydrophobicContact CG-CD2 4.33Å; P723-Y824 HydrophobicContact CG-CG 3.85Å; D820-Y824 WeakPolarHBondContact O-CB 3.39Å; D820-Y824 PolarHBondContact O-N 2.75Å; L821-Y824 HydrophobicContact CD1-CD1 4.12Å; L821-Y824 PolarHBondContact O-N 3.15Å; Y824-K826 VanDerWaalsContact C-N 3.26Å; Y824-K826 PolarHBondContact O-N 3.23Å; Y824-E827 PolarHBondContact O-N 3.27Å; Y824-N828 VanDerWaalsContact CD2-ND2 3.34Å; Y824-N828 WeakPolarHBondContact CD2-ND2 3.44Å; Y824-N828 VanDerWaalsContact CE2-ND2 3.33Å; Y824-N828 WeakPolarHBondContact CE2-ND2 3.37Å; Y824-N828 WeakPolarHBondContact O-CB 3.46Å; Y824-N828 PolarHBondContact O-N 3.05Å; Y824-N828 PolarHBondContact O-ND2 2.98Å; Y824-I830 HydrophobicContact CE1-CD1 4.11Å; Y824-L836 HydrophobicContact CE1-CD1 4.25Å |
| 825 | M | 83.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.5 | -45.6 | 175.2 | -73.1 | 178.8 | 75.5 | 0 | 0 | 110.6 | L782 L821 W822 N828 N829 I830 D832 M833 L836 | L782-M825 HydrophobicContact CD1-CB 4.15Å; L782-M825 HydrophobicContact CD1-CE 3.9Å; L782-M825 HydrophobicContact CD1-SD 4.42Å; L782-M825 HydrophobicContact CG-CE 4.16Å; L782-M825 HydrophobicContact CG-SD 4.26Å; L821-M825 HydrophobicContact CD1-CG 4.47Å; L821-M825 HydrophobicContact CG-CG 4.46Å; L821-M825 HydrophobicContact CG-SD 4.46Å; L821-M825 WeakPolarHBondContact O-CG 3.35Å; L821-M825 PolarHBondContact O-N 3.34Å; W822-M825 PolarHBondContact O-N 3.35Å; M825-N828 CarbonylContact O-C 3.57Å; M825-N828 PolarHBondContact O-N 3.05Å; M825-N829 PolarHBondContact O-N 2.84Å; M825-N829 VanDerWaalsContact O-N 3.15Å; M825-I830 HydrophobicContact CB-CB 4.14Å; M825-I830 HydrophobicContact CE-CG2 4.08Å; M825-I830 HydrophobicContact CG-CB 4.4Å; M825-I830 PolarHBondContact O-N 3.48Å; M825-D832 WeakPolarHBondContact CE-O 3.49Å; M825-M833 HydrophobicContact CE-CE 4.18Å; M825-M833 HydrophobicContact CE-SD 3.93Å; M825-M833 HydrophobicContact SD-CE 3.62Å; M825-M833 HydrophobicContact SD-SD 3.92Å; M825-L836 HydrophobicContact CE-CB 4.38Å; M825-L836 HydrophobicContact CE-CD2 4.46Å; M825-L836 HydrophobicContact CG-CD1 4.16Å; M825-L836 HydrophobicContact CG-CD2 4.26Å; M825-L836 HydrophobicContact SD-CD2 4Å |
| 826 | K | 80.4 | Confident | 82.1 | Confident | 64 Ų | 64 | 44.7 Ų | 44.7 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.5 | -47.4 | 178.1 | -174.7 | -173.6 | 174.4 | -174.3 | 0 | 113.2 | I788 P789 S790 F792 W822 T823 Y824 N828 N829 | I788-K826 HydrophobicContact CG2-CD 4.41Å; P789-K826 PolarHBondContact O-NZ 2.97Å; S790-K826 PolarHBondContact O-NZ 3.11Å; F792-K826 HydrophobicContact CE2-CB 4.24Å; F792-K826 HydrophobicContact CE2-CD 4.05Å; F792-K826 HydrophobicContact CZ-CD 4.49Å; W822-K826 WeakPolarHBondContact O-CB 3.43Å; W822-K826 PolarHBondContact O-N 3.42Å; T823-K826 PolarHBondContact O-N 3.49Å; Y824-K826 VanDerWaalsContact C-N 3.26Å; Y824-K826 PolarHBondContact O-N 3.23Å; K826-N828 PolarHBondContact O-N 3.25Å; K826-N829 PolarHBondContact O-N 3.44Å; K826-N829 VanDerWaalsContact O-N 3.15Å |
| 827 | E | 79.4 | Confident | 82 | Confident | 116 Ų | 116 | 43.2 Ų | 43.2 | 54% | 0.542 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.5 | -27.6 | 178.3 | -77.4 | -173 | 149.8 | 0 | 0 | 111.9 | K487 T823 Y824 | K487-E827 IonicContact NZ-OE1 2.95Å; K487-E827 PolarHBondContact NZ-OE1 3.14Å; T823-E827 HydrophobicContact CG2-CG 4.47Å; T823-E827 PolarHBondContact O-N 3.16Å; Y824-E827 PolarHBondContact O-N 3.27Å |
| 828 | N | 78.4 | Confident | 81.8 | Confident | 79 Ų | 79 | 48.2 Ų | 48.2 | 42% | 0.422 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 12.7 | 179.2 | -64.5 | -94.6 | 0 | 0 | 0 | 113.7 | Y824 M825 K826 I830 | Y824-N828 VanDerWaalsContact CD2-ND2 3.34Å; Y824-N828 WeakPolarHBondContact CD2-ND2 3.44Å; Y824-N828 VanDerWaalsContact CE2-ND2 3.33Å; Y824-N828 WeakPolarHBondContact CE2-ND2 3.37Å; Y824-N828 WeakPolarHBondContact O-CB 3.46Å; Y824-N828 PolarHBondContact O-N 3.05Å; Y824-N828 PolarHBondContact O-ND2 2.98Å; M825-N828 CarbonylContact O-C 3.57Å; M825-N828 PolarHBondContact O-N 3.05Å; K826-N828 PolarHBondContact O-N 3.25Å; N828-I830 HydrophobicContact CB-CD1 4.1Å; N828-I830 HydrophobicContact CB-CG1 3.97Å; N828-I830 PolarHBondContact O-N 3.33Å |
| 829 | N | 76.8 | Confident | 81.6 | Confident | 143 Ų | 143 | 50.6 Ų | 50.6 | 77% | 0.765 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 29.8 | -179.3 | -61.2 | -68.3 | 0 | 0 | 0 | 115.5 | M825 K826 P831 | M825-N829 PolarHBondContact O-N 2.84Å; M825-N829 VanDerWaalsContact O-N 3.15Å; K826-N829 PolarHBondContact O-N 3.44Å; K826-N829 VanDerWaalsContact O-N 3.15Å; N829-P831 WeakPolarHBondContact O-CD 3.14Å |
| 830 | I | 82.5 | Confident | 81.4 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | trans | -82 | 110.4 | 177.2 | -49.5 | 179 | 0 | 0 | 0 | 108.6 | Y824 M825 N828 D832 Q835 L836 | Y824-I830 HydrophobicContact CE1-CD1 4.11Å; M825-I830 HydrophobicContact CB-CB 4.14Å; M825-I830 HydrophobicContact CE-CG2 4.08Å; M825-I830 HydrophobicContact CG-CB 4.4Å; M825-I830 PolarHBondContact O-N 3.48Å; N828-I830 HydrophobicContact CB-CD1 4.1Å; N828-I830 HydrophobicContact CB-CG1 3.97Å; N828-I830 PolarHBondContact O-N 3.33Å; I830-D832 WeakPolarHBondContact CG2-O 3.36Å; I830-Q835 HydrophobicContact CG2-CB 3.81Å; I830-L836 HydrophobicContact CD1-CD1 3.82Å; I830-L836 HydrophobicContact CG2-CB 4.01Å | ||
| 831 | P | 73.2 | Confident | 81.1 | Confident | 85 Ų | 85 | 47.8 Ų | 47.8 | 55% | 0.552 | 24% | 0.241 | S | C | * | . | trans | -87.1 | -24 | -168.8 | 34.7 | -34.3 | 0 | 0 | 0 | 113.5 | N829 | N829-P831 WeakPolarHBondContact O-CD 3.14Š| ||
| 832 | D | 80.8 | Confident | 80.6 | Confident | 53 Ų | 53 | 51.5 Ų | 51.5 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -142.5 | 171.9 | -178.2 | 95.3 | -29.3 | 0 | 0 | 0 | 112.5 | K761 M825 I830 D834 Q835 L836 | K761-D832 IonicContact NZ-OD2 3.01Å; K761-D832 PolarHBondContact NZ-OD2 2.95Å; M825-D832 WeakPolarHBondContact CE-O 3.49Å; I830-D832 WeakPolarHBondContact CG2-O 3.36Å; D832-D834 PolarHBondContact O-N 3.34Å; D832-D834 WeakPolarHBondContact OD1-CB 3.39Å; D832-D834 PolarHBondContact OD1-N 3.28Å; D832-Q835 PolarHBondContact OD1-N 3.26Å; D832-L836 PolarHBondContact O-N 2.84Å |
| 833 | M | 80.1 | Confident | 79.9 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74.9 | -9.5 | -178.7 | -73.6 | -65.3 | -179.4 | 0 | 0 | 113.9 | V766 V779 R780 P781 M825 L836 Y837 | V766-M833 HydrophobicContact CG1-CE 3.98Å; V766-M833 HydrophobicContact CG1-SD 3.88Å; V779-M833 HydrophobicContact CG1-CE 4.06Å; R780-M833 WeakPolarHBondContact O-CE 3.32Å; P781-M833 HydrophobicContact CB-CG 4.37Å; P781-M833 HydrophobicContact CG-CG 4.4Å; M825-M833 HydrophobicContact CE-CE 4.18Å; M825-M833 HydrophobicContact CE-SD 3.93Å; M825-M833 HydrophobicContact SD-CE 3.62Å; M825-M833 HydrophobicContact SD-SD 3.92Å; M833-L836 HydrophobicContact SD-CD2 3.6Å; M833-L836 VanDerWaalsContact SD-CD2 3.6Å; M833-Y837 WeakPolarHBondContact O-CB 3.34Å; M833-Y837 PolarHBondContact O-N 2.98Å |
| 834 | D | 81.9 | Confident | 79.1 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 17% | 0.166 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -85.1 | -42.9 | 178.5 | -75.2 | 12.9 | 0 | 0 | 0 | 111.3 | K761 R764 D832 L836 Y837 E838 | K761-D834 WeakPolarHBondContact CD-OD2 3.46Å; K761-D834 VanDerWaalsContact CE-CG 3.41Å; K761-D834 WeakPolarHBondContact CE-OD1 3.44Å; K761-D834 WeakPolarHBondContact CE-OD2 3.48Å; K761-D834 WeakPolarHBondContact CG-OD1 3.36Å; K761-D834 WeakPolarHBondContact CG-OD2 3.43Å; K761-D834 IonicContact NZ-OD1 3.82Å; K761-D834 IonicContact NZ-OD2 2.84Å; K761-D834 PolarHBondContact NZ-OD2 3.21Å; R764-D834 IonicContact CZ-OD1 2.92Å; R764-D834 IonicContact NH2-OD1 2.57Å; R764-D834 PolarHBondContact NH2-OD1 2.85Å; R764-D834 IonicContact NH2-OD2 2.73Å; R764-D834 PolarHBondContact NH2-OD2 2.76Å; D832-D834 PolarHBondContact O-N 3.34Å; D832-D834 WeakPolarHBondContact OD1-CB 3.39Å; D832-D834 PolarHBondContact OD1-N 3.28Å; D834-L836 PolarHBondContact O-N 3.48Å; D834-Y837 CarbonylContact O-C 3.59Å; D834-Y837 WeakPolarHBondContact O-CA 3.33Å; D834-Y837 WeakPolarHBondContact O-CB 3.49Å; D834-Y837 PolarHBondContact O-N 3.25Å; D834-Y837 VanDerWaalsContact O-N 3.07Å; D834-E838 WeakPolarHBondContact O-CG 3.12Å; D834-E838 PolarHBondContact O-N 3.49Å |
| 835 | Q | 81.6 | Confident | 78 | Confident | 82 Ų | 82 | 61 Ų | 61 | 38% | 0.383 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.7 | -37.3 | 169.2 | -75.2 | -161.9 | -0.1 | 0 | 0 | 111.4 | I830 D832 Y837 E838 Q839 | I830-Q835 HydrophobicContact CG2-CB 3.81Å; D832-Q835 PolarHBondContact OD1-N 3.26Å; Q835-Y837 VanDerWaalsContact C-N 3.33Å; Q835-Y837 PolarHBondContact O-N 2.88Å; Q835-E838 PolarHBondContact O-N 3.02Å; Q835-Q839 WeakPolarHBondContact O-CB 3.09Å; Q835-Q839 VanDerWaalsContact O-CG 3.29Å; Q835-Q839 WeakPolarHBondContact O-CG 3.41Å; Q835-Q839 PolarHBondContact O-N 3.27Å |
| 836 | L | 83.1 | Confident | 76 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 172.5 | -171.5 | 69.4 | 0 | 0 | 0 | 111.7 | F721 M728 F730 L821 Y824 M825 I830 D832 M833 D834 W840 | F721-L836 HydrophobicContact CE1-CD1 4.18Å; F721-L836 HydrophobicContact CZ-CD1 4.23Å; M728-L836 HydrophobicContact CE-CD1 4.06Å; M728-L836 HydrophobicContact CE-CD2 4.3Å; M728-L836 HydrophobicContact CE-CG 4.1Å; M728-L836 HydrophobicContact SD-CD2 3.95Å; M728-L836 HydrophobicContact SD-CG 4.41Å; F730-L836 HydrophobicContact CZ-CB 4.43Å; F730-L836 HydrophobicContact CZ-CD2 4.13Å; F730-L836 HydrophobicContact CZ-CG 4.1Å; L821-L836 HydrophobicContact CD1-CD1 4.41Å; L821-L836 HydrophobicContact CD1-CD2 4.11Å; L821-L836 HydrophobicContact CD2-CD2 3.97Å; L821-L836 HydrophobicContact CG-CD2 4.36Å; Y824-L836 HydrophobicContact CE1-CD1 4.25Å; M825-L836 HydrophobicContact CE-CB 4.38Å; M825-L836 HydrophobicContact CE-CD2 4.46Å; M825-L836 HydrophobicContact CG-CD1 4.16Å; M825-L836 HydrophobicContact CG-CD2 4.26Å; M825-L836 HydrophobicContact SD-CD2 4Å; I830-L836 HydrophobicContact CD1-CD1 3.82Å; I830-L836 HydrophobicContact CG2-CB 4.01Å; D832-L836 PolarHBondContact O-N 2.84Å; M833-L836 HydrophobicContact SD-CD2 3.6Å; M833-L836 VanDerWaalsContact SD-CD2 3.6Å; D834-L836 PolarHBondContact O-N 3.48Å; L836-W840 WeakPolarHBondContact O-CB 3.32Å; L836-W840 PolarHBondContact O-N 3.07Å |
| 837 | Y | 81.2 | Confident | 74.4 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 4% | 0.039 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 175.4 | 178.9 | -106.8 | 0 | 0 | 0 | 112.1 | F730 W759 R764 M833 D834 Q835 W840 L841 | F730-Y837 HydrophobicContact CB-CD2 3.91Å; F730-Y837 HydrophobicContact CB-CE2 3.92Å; F730-Y837 AromaticContact CD1-CD2 3.65Å; F730-Y837 HydrophobicContact CD1-CD2 3.65Å; F730-Y837 HydrophobicContact CD1-CE2 4.46Å; F730-Y837 HydrophobicContact CD1-CG 4.43Å; F730-Y837 AromaticContact CD2-CD2 3.76Å; F730-Y837 HydrophobicContact CD2-CD2 3.76Å; F730-Y837 HydrophobicContact CD2-CE2 4.41Å; F730-Y837 AromaticContact CE1-CD2 3.99Å; F730-Y837 HydrophobicContact CE1-CD2 3.99Å; F730-Y837 HydrophobicContact CE1-CG 4.41Å; F730-Y837 HydrophobicContact CE2-CD2 4.1Å; F730-Y837 AromaticContact CG-CD2 3.51Å; F730-Y837 HydrophobicContact CG-CD2 3.51Å; F730-Y837 HydrophobicContact CG-CE2 4.05Å; F730-Y837 HydrophobicContact CZ-CD2 4.21Å; W759-Y837 HydrophobicContact CZ2-CE2 4.36Å; W759-Y837 AromaticContact NE1-CZ 3.65Å; W759-Y837 PolarHBondContact NE1-OH 3.02Å; R764-Y837 VanDerWaalsContact NH1-CE1 3.34Å; M833-Y837 WeakPolarHBondContact O-CB 3.34Å; M833-Y837 PolarHBondContact O-N 2.98Å; D834-Y837 CarbonylContact O-C 3.59Å; D834-Y837 WeakPolarHBondContact O-CA 3.33Å; D834-Y837 WeakPolarHBondContact O-CB 3.49Å; D834-Y837 PolarHBondContact O-N 3.25Å; D834-Y837 VanDerWaalsContact O-N 3.07Å; Q835-Y837 VanDerWaalsContact C-N 3.33Å; Q835-Y837 PolarHBondContact O-N 2.88Å; Y837-W840 HydrophobicContact CD2-CE3 4.08Å; Y837-W840 HydrophobicContact CD2-CZ3 4.41Å; Y837-W840 AromaticContact CE2-CE3 3.99Å; Y837-W840 HydrophobicContact CE2-CE3 3.99Å; Y837-W840 AromaticContact CE2-CZ3 3.88Å; Y837-W840 HydrophobicContact CE2-CZ3 3.88Å; Y837-W840 PolarHBondContact O-N 2.87Å; Y837-L841 HydrophobicContact CE1-CD1 4.47Å; Y837-L841 HydrophobicContact CE1-CD2 3.92Å; Y837-L841 HydrophobicContact CE2-CD1 4.37Å; Y837-L841 WeakPolarHBondContact O-CB 3.48Å; Y837-L841 PolarHBondContact O-N 2.59Å |
| 838 | E | 81.9 | Confident | 72.3 | Confident | 109 Ų | 109 | 68 Ų | 68 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | -179 | -73.6 | -179.8 | 178.5 | 0 | 0 | 112.1 | D834 Q835 W840 L841 Q842 | D834-E838 WeakPolarHBondContact O-CG 3.12Å; D834-E838 PolarHBondContact O-N 3.49Å; Q835-E838 PolarHBondContact O-N 3.02Å; E838-W840 PolarHBondContact O-N 2.85Å; E838-L841 PolarHBondContact O-N 2.7Å; E838-Q842 WeakPolarHBondContact O-CB 3.27Å; E838-Q842 WeakPolarHBondContact O-CG 3.25Å; E838-Q842 PolarHBondContact O-N 2.77Å |
| 839 | Q | 79.8 | Confident | 70.4 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 26% | 0.257 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 175.3 | -66.8 | 176.7 | 14.2 | 0 | 0 | 111.7 | F721 Q835 Q842 S843 | F721-Q839 HydrophobicContact CE1-CB 4.35Å; F721-Q839 HydrophobicContact CE2-CB 3.6Å; F721-Q839 HydrophobicContact CZ-CB 3.42Å; F721-Q839 VanDerWaalsContact CZ-CB 3.42Å; Q835-Q839 WeakPolarHBondContact O-CB 3.09Å; Q835-Q839 VanDerWaalsContact O-CG 3.29Å; Q835-Q839 WeakPolarHBondContact O-CG 3.41Å; Q835-Q839 PolarHBondContact O-N 3.27Å; Q839-Q842 PolarHBondContact O-N 3.35Å; Q839-S843 PolarHBondContact O-N 2.82Å |
| 840 | W | 82.3 | Confident | 68.2 | Low | 28 Ų | 28 | 69.6 Ų | 69.6 | 11% | 0.106 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.8 | -49 | 171.1 | 176.8 | 86.9 | 0 | 0 | 0 | 111.1 | F721 M728 F730 L836 Y837 E838 Q842 S843 Q844 | F721-W840 HydrophobicContact CD1-CB 3.91Å; F721-W840 HydrophobicContact CD1-CG 4.43Å; F721-W840 HydrophobicContact CE1-CB 3.73Å; M728-W840 HydrophobicContact CE-CB 4.34Å; M728-W840 HydrophobicContact CE-CG 4.37Å; M728-W840 PolarHBondContact O-NE1 3.11Å; F730-W840 HydrophobicContact CB-CZ3 4.4Å; F730-W840 HydrophobicContact CD2-CB 4.44Å; F730-W840 AromaticContact CD2-CD2 3.64Å; F730-W840 HydrophobicContact CD2-CD2 3.64Å; F730-W840 AromaticContact CD2-CE3 3.71Å; F730-W840 HydrophobicContact CD2-CE3 3.71Å; F730-W840 AromaticContact CD2-CG 3.98Å; F730-W840 HydrophobicContact CD2-CG 3.98Å; F730-W840 HydrophobicContact CD2-CZ3 4.22Å; F730-W840 HydrophobicContact CE2-CB 3.88Å; F730-W840 HydrophobicContact CE2-CD2 4Å; F730-W840 HydrophobicContact CE2-CE3 4.28Å; F730-W840 AromaticContact CE2-CG 3.83Å; F730-W840 HydrophobicContact CE2-CG 3.83Å; L836-W840 WeakPolarHBondContact O-CB 3.32Å; L836-W840 PolarHBondContact O-N 3.07Å; Y837-W840 HydrophobicContact CD2-CE3 4.08Å; Y837-W840 HydrophobicContact CD2-CZ3 4.41Å; Y837-W840 AromaticContact CE2-CE3 3.99Å; Y837-W840 HydrophobicContact CE2-CE3 3.99Å; Y837-W840 AromaticContact CE2-CZ3 3.88Å; Y837-W840 HydrophobicContact CE2-CZ3 3.88Å; Y837-W840 PolarHBondContact O-N 2.87Å; E838-W840 PolarHBondContact O-N 2.85Å; W840-Q842 VanDerWaalsContact C-N 3.27Å; W840-Q842 PolarHBondContact O-N 3.14Å; W840-S843 PolarHBondContact O-N 3.31Å; W840-S843 VanDerWaalsContact O-N 3.1Å; W840-S843 PolarHBondContact O-OG 2.82Å; W840-Q844 HydrophobicContact CD2-CG 4.34Å; W840-Q844 HydrophobicContact CH2-CG 4.5Å; W840-Q844 HydrophobicContact CZ2-CG 4.23Å; W840-Q844 WeakPolarHBondContact O-CG 3.48Å; W840-Q844 PolarHBondContact O-N 2.91Å |
| 841 | L | 78.3 | Confident | 65.8 | Low | 40 Ų | 40 | 77.8 Ų | 77.8 | 21% | 0.209 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.1 | -30.9 | -178.2 | -161.8 | 71.9 | 0 | 0 | 0 | 113 | K748 Y837 E838 | K748-L841 HydrophobicContact CD-CD1 4.05Å; K748-L841 HydrophobicContact CD-CD2 3.97Å; Y837-L841 HydrophobicContact CE1-CD1 4.47Å; Y837-L841 HydrophobicContact CE1-CD2 3.92Å; Y837-L841 HydrophobicContact CE2-CD1 4.37Å; Y837-L841 WeakPolarHBondContact O-CB 3.48Å; Y837-L841 PolarHBondContact O-N 2.59Å; E838-L841 PolarHBondContact O-N 2.7Å |
| 842 | Q | 73.7 | Confident | 63.8 | Low | 79 Ų | 79 | 81.1 Ų | 81.1 | 37% | 0.369 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.8 | -47.8 | 171.1 | -73.4 | 169.7 | 14.3 | 0 | 0 | 110.9 | E838 Q839 W840 Q844 K845 W848 | E838-Q842 WeakPolarHBondContact O-CB 3.27Å; E838-Q842 WeakPolarHBondContact O-CG 3.25Å; E838-Q842 PolarHBondContact O-N 2.77Å; Q839-Q842 PolarHBondContact O-N 3.35Å; W840-Q842 VanDerWaalsContact C-N 3.27Å; W840-Q842 PolarHBondContact O-N 3.14Å; Q842-Q844 PolarHBondContact O-N 3.24Å; Q842-Q844 VanDerWaalsContact O-N 3.14Å; Q842-K845 WeakPolarHBondContact O-CB 3.36Å; Q842-K845 WeakPolarHBondContact O-CG 3.39Å; Q842-K845 PolarHBondContact O-N 3.39Å; Q842-W848 HydrophobicContact CB-CD2 4.36Å; Q842-W848 HydrophobicContact CB-CH2 3.69Å; Q842-W848 HydrophobicContact CB-CZ2 3.5Å; Q842-W848 HydrophobicContact CB-CZ3 4.19Å; Q842-W848 HydrophobicContact CG-CH2 4.47Å; Q842-W848 HydrophobicContact CG-CZ2 4.11Å; Q842-W848 VanDerWaalsContact OE1-CH2 3.26Å |
| 843 | S | 70.9 | Confident | 61.6 | Low | 29 Ų | 29 | 83.9 Ų | 83.9 | 20% | 0.203 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62 | -20 | 179.3 | 78.6 | 0 | 0 | 0 | 0 | 115.4 | F721 Q839 W840 K845 | F721-S843 VanDerWaalsContact CB-CB 3.42Å; F721-S843 VanDerWaalsContact CB-OG 3.23Å; F721-S843 WeakPolarHBondContact CB-OG 3.38Å; Q839-S843 PolarHBondContact O-N 2.82Å; W840-S843 PolarHBondContact O-N 3.31Å; W840-S843 VanDerWaalsContact O-N 3.1Å; W840-S843 PolarHBondContact O-OG 2.82Å; S843-K845 VanDerWaalsContact C-N 3.26Å; S843-K845 PolarHBondContact O-N 3.09Å |
| 844 | Q | 66.9 | Low | 59.2 | Low | 119 Ų | 119 | 89.5 Ų | 89.5 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1.4 | 176.2 | -62 | -53.9 | -55 | 0 | 0 | 113 | W840 Q842 | W840-Q844 HydrophobicContact CD2-CG 4.34Å; W840-Q844 HydrophobicContact CH2-CG 4.5Å; W840-Q844 HydrophobicContact CZ2-CG 4.23Å; W840-Q844 WeakPolarHBondContact O-CG 3.48Å; W840-Q844 PolarHBondContact O-N 2.91Å; Q842-Q844 PolarHBondContact O-N 3.24Å; Q842-Q844 VanDerWaalsContact O-N 3.14Å |
| 845 | K | 60.3 | Low | 56.6 | Low | 132 Ų | 132 | 95.2 Ų | 95.2 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -79.8 | 128.4 | 173.8 | -66.5 | -174.3 | 176.8 | -177.1 | 0 | 110.5 | Q842 S843 G847 W848 | Q842-K845 WeakPolarHBondContact O-CB 3.36Å; Q842-K845 WeakPolarHBondContact O-CG 3.39Å; Q842-K845 PolarHBondContact O-N 3.39Å; S843-K845 VanDerWaalsContact C-N 3.26Å; S843-K845 PolarHBondContact O-N 3.09Å; K845-G847 PolarHBondContact O-N 2.73Å; K845-W848 PolarHBondContact O-N 2.92Å |
| 846 | P | 41.7 | Very low | 54 | Low | 135 Ų | 135 | 96.6 Ų | 96.6 | 88% | 0.877 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 138.1 | 164.6 | -22.2 | 33.9 | 0 | 0 | 0 | 110.4 | ||
| 847 | G | 47.4 | Very low | 51.4 | Low | 69 Ų | 69 | 105.7 Ų | 105.7 | 71% | 0.711 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.4 | 3.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116 | K845 G849 | K845-G847 PolarHBondContact O-N 2.73Å; G847-G849 PolarHBondContact O-N 2.9Å |
| 848 | W | 35 | Very low | 49 | Very low | 122 Ų | 122 | 116.9 Ų | 116.9 | 46% | 0.462 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | 50.5 | -179.2 | -120 | 55.7 | 0 | 0 | 0 | 114.7 | Q842 K845 M852 | Q842-W848 HydrophobicContact CB-CD2 4.36Å; Q842-W848 HydrophobicContact CB-CH2 3.69Å; Q842-W848 HydrophobicContact CB-CZ2 3.5Å; Q842-W848 HydrophobicContact CB-CZ3 4.19Å; Q842-W848 HydrophobicContact CG-CH2 4.47Å; Q842-W848 HydrophobicContact CG-CZ2 4.11Å; Q842-W848 VanDerWaalsContact OE1-CH2 3.26Å; K845-W848 PolarHBondContact O-N 2.92Å; W848-M852 HydrophobicContact CH2-CE 4.47Å; W848-M852 HydrophobicContact CZ2-CE 3.7Å |
| 849 | G | 38.2 | Very low | 46.6 | Very low | 71 Ų | 71 | 119.6 Ų | 119.6 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | -40.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | G847 | G847-G849 PolarHBondContact O-N 2.9Š|
| 850 | E | 32.4 | Very low | 44.3 | Very low | 185 Ų | 185 | 124.5 Ų | 124.5 | 86% | 0.864 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -121.6 | -15.7 | -160.2 | -66.5 | -177.4 | 121.4 | 0 | 0 | 116.5 | ||
| 851 | E | 30.3 | Very low | 41.8 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -102 | -0.2 | -168.4 | -64.6 | -168 | 144.5 | 0 | 0 | 116.6 | S853 | E851-S853 PolarHBondContact O-N 3.27Š|
| 852 | M | 33 | Very low | 40.1 | Very low | 155 Ų | 155 | 135 Ų | 135 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -85 | -1.7 | -174 | -152.6 | 71.1 | 79.7 | 0 | 0 | 114.9 | W848 | W848-M852 HydrophobicContact CH2-CE 4.47Å; W848-M852 HydrophobicContact CZ2-CE 3.7Å |
| 853 | S | 33 | Very low | 38.1 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -120.7 | -12.4 | -173.2 | -60.7 | 0 | 0 | 0 | 0 | 115.4 | E851 | E851-S853 PolarHBondContact O-N 3.27Š|
| 854 | N | 30.2 | Very low | 36.3 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -136.1 | 107 | -178.9 | -89.5 | -33.7 | 0 | 0 | 0 | 110.3 | ||||
| 855 | N | 26.9 | Very low | 34.3 | Very low | 151 Ų | 151 | 145 Ų | 145 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -147.6 | 80 | 156 | -150 | -23.1 | 0 | 0 | 0 | 112.5 | ||||
| 856 | S | 26.8 | Very low | 33 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -97.1 | 99.3 | 151.7 | 58 | 0 | 0 | 0 | 0 | 108.4 | ||
| 857 | F | 29.9 | Very low | 32.7 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | 29.8 | 111.8 | 163.1 | -85.6 | -96.5 | 0 | 0 | 0 | 118.7 | ||||
| 858 | R | 29.3 | Very low | 32.4 | Very low | 245 Ų | 245 | 145 Ų | 145 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | -135.3 | 148.9 | 133.6 | -73.9 | -160.8 | 171.3 | -169.2 | -3.6 | 110.6 | ||||
| 859 | E | 32.2 | Very low | 32.3 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | -81.1 | 172.3 | -171.1 | -65.9 | 173.2 | 92.4 | 0 | 0 | 114.6 | ||||
| 860 | N | 31.2 | Very low | 32.3 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | 88.9 | 76.7 | 161.8 | -60.5 | -59.4 | 0 | 0 | 0 | 118 | ||||
| 861 | G | 29.4 | Very low | 32.5 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | trans | -144 | 9.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q863 | G861-Q863 PolarHBondContact O-N 3.32Š| ||
| 862 | K | 42.8 | Very low | 33.3 | Very low | 216 Ų | 216 | 140.2 Ų | 140.2 | 94% | 0.939 | 73% | 0.729 | S | S | * | * | trans | 42.1 | 58.6 | 178.2 | -68.3 | -170.7 | 177.7 | -178.4 | 0 | 115.8 | ||||
| 863 | Q | 32.4 | Very low | 34 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -81.9 | 148.2 | 162.1 | -171.6 | 164 | -29.3 | 0 | 0 | 110.3 | G861 H865 | G861-Q863 PolarHBondContact O-N 3.32Å; Q863-H865 PolarHBondContact O-N 3.15Å | ||
| 864 | I | 33.1 | Very low | 35 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 80% | 0.795 | 71% | 0.713 | S | S | * | * | trans | -72.7 | 112.1 | 177.2 | -58.8 | 172.6 | 0 | 0 | 0 | 108.3 | ||||
| 865 | H | 25.3 | Very low | 36.5 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 49% | 0.486 | 68% | 0.681 | S | S | . | * | trans | -70.3 | 134.1 | 176.4 | -97 | -90 | 0 | 0 | 0 | 111.7 | Q863 Y870 | Q863-H865 PolarHBondContact O-N 3.15Å; H865-Y870 HydrophobicContact CB-CE2 4.24Å; H865-Y870 AromaticContact CE1-CE2 3.69Å; H865-Y870 AromaticContact CE1-CZ 3.64Å; H865-Y870 AromaticContact CG-CE2 3.74Å; H865-Y870 AromaticContact ND1-CD2 3.77Å; H865-Y870 AromaticContact ND1-CE2 3.3Å; H865-Y870 VanDerWaalsContact ND1-CE2 3.3Å; H865-Y870 WeakPolarHBondContact ND1-CE2 3.44Å; H865-Y870 AromaticContact ND1-CZ 3.76Å | ||
| 866 | M | 32.7 | Very low | 38.7 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 57% | 0.571 | 65% | 0.648 | S | S | * | * | trans | -88.7 | 151.6 | 158.7 | -68.8 | -64.5 | -65.2 | 0 | 0 | 110 | T868 D869 | M866-T868 PolarHBondContact O-N 3.47Å; M866-D869 WeakPolarHBondContact CB-OD2 3.46Å; M866-D869 PolarHBondContact N-OD2 3.29Å; M866-D869 WeakPolarHBondContact O-CB 3.28Å; M866-D869 PolarHBondContact O-N 3.13Å | ||
| 867 | P | 35.8 | Very low | 41.4 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 77% | 0.773 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -15.7 | -179.8 | -26.6 | 36.1 | 0 | 0 | 0 | 115.4 | ||
| 868 | T | 40.8 | Very low | 44.1 | Very low | 101 Ų | 101 | 112.4 Ų | 112.4 | 62% | 0.62 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -21.3 | 175.1 | 43.7 | 0 | 0 | 0 | 0 | 114 | M866 Y870 A871 | M866-T868 PolarHBondContact O-N 3.47Å; T868-Y870 PolarHBondContact O-N 2.67Å; T868-A871 WeakPolarHBondContact O-CB 3.19Å; T868-A871 PolarHBondContact O-N 2.57Å; T868-A871 VanDerWaalsContact O-N 3.1Å |
| 869 | D | 33.4 | Very low | 46.8 | Very low | 86 Ų | 86 | 100.7 Ų | 100.7 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.3 | -167.7 | -50.6 | -16.9 | 0 | 0 | 0 | 112.3 | M866 | M866-D869 WeakPolarHBondContact CB-OD2 3.46Å; M866-D869 PolarHBondContact N-OD2 3.29Å; M866-D869 WeakPolarHBondContact O-CB 3.28Å; M866-D869 PolarHBondContact O-N 3.13Å |
| 870 | Y | 36.9 | Very low | 49.2 | Very low | 173 Ų | 173 | 96.9 Ų | 96.9 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 4.1 | 169.9 | -75.6 | -76.4 | 0 | 0 | 0 | 113.4 | H865 T868 E872 | H865-Y870 HydrophobicContact CB-CE2 4.24Å; H865-Y870 AromaticContact CE1-CE2 3.69Å; H865-Y870 AromaticContact CE1-CZ 3.64Å; H865-Y870 AromaticContact CG-CE2 3.74Å; H865-Y870 AromaticContact ND1-CD2 3.77Å; H865-Y870 AromaticContact ND1-CE2 3.3Å; H865-Y870 VanDerWaalsContact ND1-CE2 3.3Å; H865-Y870 WeakPolarHBondContact ND1-CE2 3.44Å; H865-Y870 AromaticContact ND1-CZ 3.76Å; T868-Y870 PolarHBondContact O-N 2.67Å; Y870-E872 PolarHBondContact O-N 3.22Å; Y870-E872 VanDerWaalsContact O-N 3.12Å |
| 871 | A | 38.1 | Very low | 51.5 | Low | 67 Ų | 67 | 92 Ų | 92 | 55% | 0.554 | 49% | 0.485 | S | S | * | . | trans | -71.3 | 103.3 | 167 | 0 | 0 | 0 | 0 | 0 | 109.4 | T868 | T868-A871 WeakPolarHBondContact O-CB 3.19Å; T868-A871 PolarHBondContact O-N 2.57Å; T868-A871 VanDerWaalsContact O-N 3.1Å | ||
| 872 | E | 45.1 | Very low | 54 | Low | 126 Ų | 126 | 88.7 Ų | 88.7 | 59% | 0.589 | 45% | 0.45 | S | S | * | . | trans | -58.9 | 171.4 | 173.2 | -64.2 | -162.4 | 91.4 | 0 | 0 | 112.5 | K609 Y870 V874 | K609-E872 IonicContact NZ-OE1 2.62Å; K609-E872 PolarHBondContact NZ-OE1 2.88Å; Y870-E872 PolarHBondContact O-N 3.22Å; Y870-E872 VanDerWaalsContact O-N 3.12Å; E872-V874 HydrophobicContact CB-CG2 4.18Å; E872-V874 PolarHBondContact O-N 2.75Å | ||
| 873 | E | 48.3 | Very low | 55.8 | Low | 157 Ų | 157 | 78.9 Ų | 78.9 | 73% | 0.734 | 41% | 0.411 | S | S | * | . | trans | -67.9 | 61 | 162 | -72.8 | -170.5 | 120.7 | 0 | 0 | 111.3 | K606 | K606-E873 IonicContact NZ-OE1 3.03Å; K606-E873 PolarHBondContact NZ-OE1 3.2Å; K606-E873 IonicContact NZ-OE2 2.6Å; K606-E873 PolarHBondContact NZ-OE2 3.02Å | ||
| 874 | V | 54.1 | Low | 58.2 | Low | 76 Ų | 76 | 75.6 Ų | 75.6 | 46% | 0.461 | 39% | 0.393 | S | S | . | . | trans | -61.5 | 136.3 | 171.7 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | P618 E872 G876 | P618-V874 HydrophobicContact CB-CG1 3.84Å; P618-V874 HydrophobicContact CG-CG1 3.65Å; E872-V874 HydrophobicContact CB-CG2 4.18Å; E872-V874 PolarHBondContact O-N 2.75Å; V874-G876 PolarHBondContact O-N 2.91Å | ||
| 875 | A | 61.3 | Low | 60.6 | Low | 11 Ų | 11 | 72.2 Ų | 72.2 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | trans | -59.6 | 124.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I603 I604 S616 | I603-A875 HydrophobicContact CG2-CB 3.73Å; I604-A875 WeakPolarHBondContact O-CA 3.42Å; I604-A875 WeakPolarHBondContact O-CB 3.48Å; S616-A875 WeakPolarHBondContact O-CB 3.44Å | ||
| 876 | G | 73.7 | Confident | 63.4 | Low | 12 Ų | 12 | 67.7 Ų | 67.7 | 12% | 0.124 | 36% | 0.357 | C | S | . | . | trans | -140.3 | 165 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I604 V874 H878 C886 | I604-G876 PolarHBondContact N-O 3.5Å; V874-G876 PolarHBondContact O-N 2.91Å; G876-H878 PolarHBondContact O-N 3.2Å; G876-C886 CarbonylContact C-O 3.47Å; G876-C886 WeakPolarHBondContact CA-O 3.21Å | ||
| 877 | N | 83.8 | Confident | 65.6 | Low | 20 Ų | 20 | 67.1 Ų | 67.1 | 11% | 0.107 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 126.8 | -174.3 | -57 | 0.6 | 0 | 0 | 0 | 110.5 | P601 R602 C886 E889 W892 | P601-N877 HydrophobicContact CB-CB 4.48Å; P601-N877 HydrophobicContact CG-CB 4.28Å; R602-N877 CarbonylContact O-C 3.51Å; R602-N877 WeakPolarHBondContact O-CA 3.46Å; N877-C886 PolarHBondContact N-O 2.87Å; N877-C886 VanDerWaalsContact N-O 3.08Å; N877-C886 PolarHBondContact O-N 3.28Å; N877-E889 PolarHBondContact ND2-OE2 2.88Å; N877-W892 HydrophobicContact CB-CB 4.24Å; N877-W892 HydrophobicContact CB-CD2 3.62Å; N877-W892 HydrophobicContact CB-CE3 3.39Å; N877-W892 HydrophobicContact CB-CG 3.97Å; N877-W892 HydrophobicContact CB-CZ3 3.95Å; N877-W892 WeakPolarHBondContact ND2-CB 3.34Å |
| 878 | H | 85.6 | Confident | 67.7 | Low | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.5 | -177.4 | 171.6 | 83.8 | 0 | 0 | 0 | 111.4 | R602 I604 V639 Y641 G876 W880 K884 N885 | R602-H878 PolarHBondContact O-N 3.32Å; I604-H878 HydrophobicContact CD1-CB 4.33Å; I604-H878 HydrophobicContact CG1-CB 3.63Å; V639-H878 PolarHBondContact O-CE1 2.99Å; Y641-H878 AromaticContact CD2-CE1 3.47Å; Y641-H878 VanDerWaalsContact CD2-CE1 3.47Å; Y641-H878 WeakPolarHBondContact CD2-CE1 3.44Å; Y641-H878 AromaticContact CD2-ND1 3.97Å; Y641-H878 AromaticContact CD2-NE2 3.56Å; Y641-H878 AromaticContact CE2-CE1 3.58Å; Y641-H878 AromaticContact CE2-ND1 3.74Å; G876-H878 PolarHBondContact O-N 3.2Å; H878-W880 PolarHBondContact O-N 3.5Å; H878-K884 WeakPolarHBondContact CA-O 3.44Å; H878-K884 PolarHBondContact ND1-O 3.32Å; H878-N885 PolarHBondContact ND1-OD1 2.96Å |
| 879 | C | 86.9 | Confident | 69.7 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 100.7 | 177.2 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | L881 C882 G883 K884 W892 H895 H901 | C879-L881 PolarHBondContact O-N 3.3Å; C879-C882 HydrophobicContact CB-CB 4.15Å; C879-C882 CarbonylContact O-C 3.21Å; C879-C882 PolarHBondContact O-N 3.27Å; C879-G883 PolarHBondContact O-N 2.84Å; C879-K884 PolarHBondContact N-O 2.84Å; C879-W892 HydrophobicContact CB-CH2 3.77Å; C879-W892 HydrophobicContact CB-CZ3 3.63Å; C879-H895 WeakPolarHBondContact CB-NE2 3.45Å; C879-H901 PolarHBondContact SG-CE1 3.4Å |
| 880 | W | 82.4 | Confident | 72.2 | Confident | 86 Ų | 86 | 66.8 Ų | 66.8 | 33% | 0.326 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.9 | -179.6 | 64.8 | -101.4 | 0 | 0 | 0 | 113.5 | H878 C882 L972 | H878-W880 PolarHBondContact O-N 3.5Å; W880-C882 VanDerWaalsContact C-N 3.29Å; W880-C882 PolarHBondContact O-N 3.24Å; W880-L972 HydrophobicContact CZ2-CD1 3.85Å |
| 881 | L | 79.8 | Confident | 74.6 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -25.2 | 172.1 | -75.5 | 175.9 | 0 | 0 | 0 | 114.1 | C879 V905 L972 | C879-L881 PolarHBondContact O-N 3.3Å; L881-V905 HydrophobicContact CD1-CB 4.42Å; L881-V905 HydrophobicContact CD1-CG2 3.69Å; L881-L972 HydrophobicContact CD1-CD1 3.79Å; L881-L972 HydrophobicContact CG-CD1 4.2Å |
| 882 | C | 82.5 | Confident | 77 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.034 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -9.1 | -171.2 | -74.1 | 0 | 0 | 0 | 0 | 114.1 | C879 W880 K884 H895 H901 R904 | C879-C882 HydrophobicContact CB-CB 4.15Å; C879-C882 CarbonylContact O-C 3.21Å; C879-C882 PolarHBondContact O-N 3.27Å; W880-C882 VanDerWaalsContact C-N 3.29Å; W880-C882 PolarHBondContact O-N 3.24Å; C882-K884 HydrophobicContact CB-CB 4.33Å; C882-K884 HydrophobicContact CB-CD 4.29Å; C882-K884 HydrophobicContact CB-CG 4.16Å; C882-K884 PolarHBondContact O-N 2.99Å; C882-H895 VanDerWaalsContact SG-CE1 3.55Å; C882-H901 PolarHBondContact SG-ND1 2.73Å; C882-H901 VanDerWaalsContact SG-ND1 3.42Å; C882-R904 WeakPolarHBondContact SG-CD 3.21Å; C882-R904 PolarHBondContact SG-NH1 3.01Å |
| 883 | G | 79.7 | Confident | 79 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 32.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V639 C879 | V639-G883 PolarHBondContact N-O 3.16Å; V639-G883 WeakPolarHBondContact O-CA 3.29Å; C879-G883 PolarHBondContact O-N 2.84Å |
| 884 | K | 83.2 | Confident | 80.9 | Confident | 105 Ų | 105 | 54.9 Ų | 54.9 | 46% | 0.457 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 138.6 | -177 | -77.2 | -175.2 | 175.1 | -175.9 | 0 | 111.1 | H878 C879 C882 | H878-K884 WeakPolarHBondContact CA-O 3.44Å; H878-K884 PolarHBondContact ND1-O 3.32Å; C879-K884 PolarHBondContact N-O 2.84Å; C882-K884 HydrophobicContact CB-CB 4.33Å; C882-K884 HydrophobicContact CB-CD 4.29Å; C882-K884 HydrophobicContact CB-CG 4.16Å; C882-K884 PolarHBondContact O-N 2.99Å |
| 885 | N | 82.6 | Confident | 82.6 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137.7 | 170.5 | -62 | 28.4 | 0 | 0 | 0 | 108.7 | H878 | H878-N885 PolarHBondContact ND1-OD1 2.96Å |
| 886 | C | 83.9 | Confident | 83.9 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.6 | 175.7 | -65.7 | 0 | 0 | 0 | 0 | 107.8 | G876 N877 S888 Q891 W892 | G876-C886 CarbonylContact C-O 3.47Å; G876-C886 WeakPolarHBondContact CA-O 3.21Å; N877-C886 PolarHBondContact N-O 2.87Å; N877-C886 VanDerWaalsContact N-O 3.08Å; N877-C886 PolarHBondContact O-N 3.28Å; C886-S888 VanDerWaalsContact C-N 3.28Å; C886-S888 PolarHBondContact O-N 3.46Å; C886-Q891 HydrophobicContact CB-CB 3.88Å; C886-W892 HydrophobicContact CB-CB 4.31Å; C886-W892 HydrophobicContact CB-CE3 4.21Å |
| 887 | N | 78.9 | Confident | 84.6 | Confident | 104 Ų | 104 | 53.8 Ų | 53.8 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -88.9 | 7 | -175.6 | 71.7 | 3.9 | 0 | 0 | 0 | 113.6 | Q891 | N887-Q891 PolarHBondContact OD1-NE2 2.86Å; N887-Q891 PolarHBondContact OD1-OE1 2.99Å |
| 888 | S | 81.4 | Confident | 84.8 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -156.9 | 150.4 | 178.4 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | C886 K890 Q891 W892 | C886-S888 VanDerWaalsContact C-N 3.28Å; C886-S888 PolarHBondContact O-N 3.46Å; S888-K890 PolarHBondContact O-N 3.17Å; S888-Q891 WeakPolarHBondContact O-CB 3.39Å; S888-Q891 PolarHBondContact O-N 2.91Å; S888-Q891 WeakPolarHBondContact OG-CG 3.33Å; S888-W892 PolarHBondContact O-N 2.83Å |
| 889 | E | 82.5 | Confident | 84.8 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 44% | 0.444 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.2 | -32.8 | 179 | -172.8 | 52.6 | -144.1 | 0 | 0 | 112.2 | N877 Q891 W892 Q893 | N877-E889 PolarHBondContact ND2-OE2 2.88Å; E889-Q891 PolarHBondContact O-N 3.28Å; E889-W892 WeakPolarHBondContact O-CB 3.07Å; E889-W892 PolarHBondContact O-N 2.9Å; E889-W892 VanDerWaalsContact O-N 3.14Å; E889-Q893 HydrophobicContact CG-CG 4.48Å; E889-Q893 WeakPolarHBondContact O-CG 3.49Å; E889-Q893 PolarHBondContact O-N 3.07Å; E889-Q893 WeakPolarHBondContact OE1-CG 3.47Å; E889-Q893 PolarHBondContact OE1-NE2 2.9Å |
| 890 | K | 85 | Confident | 84.7 | Confident | 157 Ų | 157 | 70.3 Ų | 70.3 | 68% | 0.683 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62 | -40.2 | 174.1 | -172.3 | 174 | -179.2 | 176.9 | 0 | 112.6 | S888 Q894 | S888-K890 PolarHBondContact O-N 3.17Å; K890-Q894 WeakPolarHBondContact O-CB 3.38Å; K890-Q894 VanDerWaalsContact O-CG 3.27Å; K890-Q894 WeakPolarHBondContact O-CG 3.42Å; K890-Q894 PolarHBondContact O-N 3.35Å; K890-Q894 VanDerWaalsContact O-N 3.13Å |
| 891 | Q | 87.9 | Confident | 84.9 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 36% | 0.36 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.2 | -37.4 | 172.8 | -73.9 | 172.2 | 10.9 | 0 | 0 | 111.6 | C886 N887 S888 E889 Q894 H895 | C886-Q891 HydrophobicContact CB-CB 3.88Å; N887-Q891 PolarHBondContact OD1-NE2 2.86Å; N887-Q891 PolarHBondContact OD1-OE1 2.99Å; S888-Q891 WeakPolarHBondContact O-CB 3.39Å; S888-Q891 PolarHBondContact O-N 2.91Å; S888-Q891 WeakPolarHBondContact OG-CG 3.33Å; E889-Q891 PolarHBondContact O-N 3.28Å; Q891-Q894 PolarHBondContact O-N 2.81Å; Q891-H895 WeakPolarHBondContact O-CB 3.41Å; Q891-H895 PolarHBondContact O-N 3.48Å |
| 892 | W | 88.3 | Confident | 85.1 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 1% | 0.011 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -51.1 | 176.8 | -176.6 | -111 | 0 | 0 | 0 | 111.7 | P601 N877 C879 C886 S888 E889 Q894 H895 I896 H971 L972 | P601-W892 HydrophobicContact CB-CD2 4.38Å; P601-W892 HydrophobicContact CB-CH2 4.05Å; P601-W892 HydrophobicContact CB-CZ2 3.35Å; P601-W892 HydrophobicContact CG-CZ2 4.3Å; N877-W892 HydrophobicContact CB-CB 4.24Å; N877-W892 HydrophobicContact CB-CD2 3.62Å; N877-W892 HydrophobicContact CB-CE3 3.39Å; N877-W892 HydrophobicContact CB-CG 3.97Å; N877-W892 HydrophobicContact CB-CZ3 3.95Å; N877-W892 WeakPolarHBondContact ND2-CB 3.34Å; C879-W892 HydrophobicContact CB-CH2 3.77Å; C879-W892 HydrophobicContact CB-CZ3 3.63Å; C886-W892 HydrophobicContact CB-CB 4.31Å; C886-W892 HydrophobicContact CB-CE3 4.21Å; S888-W892 PolarHBondContact O-N 2.83Å; E889-W892 WeakPolarHBondContact O-CB 3.07Å; E889-W892 PolarHBondContact O-N 2.9Å; E889-W892 VanDerWaalsContact O-N 3.14Å; W892-Q894 PolarHBondContact O-N 3.44Å; W892-H895 WeakPolarHBondContact O-CA 3.35Å; W892-H895 WeakPolarHBondContact O-CB 3.49Å; W892-H895 PolarHBondContact O-N 3.02Å; W892-I896 HydrophobicContact CD2-CG2 4.17Å; W892-I896 HydrophobicContact CH2-CG2 4.34Å; W892-I896 HydrophobicContact CZ2-CG2 3.78Å; W892-I896 PolarHBondContact O-N 2.96Å; W892-H971 WeakPolarHBondContact CZ2-O 3.29Å; W892-H971 PolarHBondContact NE1-O 2.92Å; W892-L972 HydrophobicContact CH2-CD2 3.96Å; W892-L972 HydrophobicContact CZ2-CD2 4.09Å |
| 893 | Q | 87.9 | Confident | 85.1 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 33% | 0.327 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 176.2 | -66.5 | -60.5 | -35.6 | 0 | 0 | 112 | E889 H895 I896 T897 | E889-Q893 HydrophobicContact CG-CG 4.48Å; E889-Q893 WeakPolarHBondContact O-CG 3.49Å; E889-Q893 PolarHBondContact O-N 3.07Å; E889-Q893 WeakPolarHBondContact OE1-CG 3.47Å; E889-Q893 PolarHBondContact OE1-NE2 2.9Å; Q893-H895 VanDerWaalsContact C-N 3.26Å; Q893-H895 PolarHBondContact O-N 2.88Å; Q893-I896 PolarHBondContact O-N 3.22Å; Q893-T897 WeakPolarHBondContact O-CB 3.45Å; Q893-T897 WeakPolarHBondContact O-CG2 3.32Å; Q893-T897 PolarHBondContact O-N 3.5Å; Q893-T897 VanDerWaalsContact O-N 3.12Å; Q893-T897 PolarHBondContact O-OG1 2.57Å |
| 894 | Q | 88.1 | Confident | 85.3 | Confident | 123 Ų | 123 | 74.6 Ų | 74.6 | 58% | 0.575 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.7 | -29.5 | 174.1 | -75.3 | 178.8 | -23.8 | 0 | 0 | 113.2 | K890 Q891 W892 | K890-Q894 WeakPolarHBondContact O-CB 3.38Å; K890-Q894 VanDerWaalsContact O-CG 3.27Å; K890-Q894 WeakPolarHBondContact O-CG 3.42Å; K890-Q894 PolarHBondContact O-N 3.35Å; K890-Q894 VanDerWaalsContact O-N 3.13Å; Q891-Q894 PolarHBondContact O-N 2.81Å; W892-Q894 PolarHBondContact O-N 3.44Å |
| 895 | H | 88.9 | Confident | 85.2 | Confident | 11 Ų | 11 | 70 Ų | 70 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73.7 | -52.2 | 175.3 | -179.8 | -1.8 | 0 | 0 | 0 | 111.3 | C879 C882 Q891 W892 Q893 T897 S898 H901 | C879-H895 WeakPolarHBondContact CB-NE2 3.45Å; C882-H895 VanDerWaalsContact SG-CE1 3.55Å; Q891-H895 WeakPolarHBondContact O-CB 3.41Å; Q891-H895 PolarHBondContact O-N 3.48Å; W892-H895 WeakPolarHBondContact O-CA 3.35Å; W892-H895 WeakPolarHBondContact O-CB 3.49Å; W892-H895 PolarHBondContact O-N 3.02Å; Q893-H895 VanDerWaalsContact C-N 3.26Å; Q893-H895 PolarHBondContact O-N 2.88Å; H895-T897 VanDerWaalsContact C-N 3.33Å; H895-T897 PolarHBondContact O-N 3.5Å; H895-S898 WeakPolarHBondContact O-CB 3.12Å; H895-S898 PolarHBondContact O-N 3.17Å; H895-S898 PolarHBondContact O-OG 3.48Å; H895-H901 AromaticContact CE1-CG 3.76Å; H895-H901 AromaticContact CE1-ND1 3.27Å; H895-H901 PolarHBondContact CE1-ND1 2.94Å; H895-H901 VanDerWaalsContact CE1-ND1 3.27Å; H895-H901 AromaticContact ND1-CG 3.9Å; H895-H901 AromaticContact ND1-ND1 3.84Å; H895-H901 WeakPolarHBondContact O-CB 3.32Å |
| 896 | I | 89.1 | Confident | 85 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.1 | -27.5 | -173.1 | 66.3 | -177.2 | 0 | 0 | 0 | 113.2 | W892 Q893 S898 H901 L972 A974 | W892-I896 HydrophobicContact CD2-CG2 4.17Å; W892-I896 HydrophobicContact CH2-CG2 4.34Å; W892-I896 HydrophobicContact CZ2-CG2 3.78Å; W892-I896 PolarHBondContact O-N 2.96Å; Q893-I896 PolarHBondContact O-N 3.22Å; I896-S898 VanDerWaalsContact C-N 3.33Å; I896-H901 PolarHBondContact O-CD2 3.06Å; I896-L972 WeakPolarHBondContact CB-O 3.33Å; I896-A974 HydrophobicContact CD1-CB 4.04Å; I896-A974 HydrophobicContact CG1-CB 4.34Å |
| 897 | T | 87.4 | Confident | 84.4 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -14.5 | 173.5 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | Q893 H895 K902 A974 | Q893-T897 WeakPolarHBondContact O-CB 3.45Å; Q893-T897 WeakPolarHBondContact O-CG2 3.32Å; Q893-T897 PolarHBondContact O-N 3.5Å; Q893-T897 VanDerWaalsContact O-N 3.12Å; Q893-T897 PolarHBondContact O-OG1 2.57Å; H895-T897 VanDerWaalsContact C-N 3.33Å; H895-T897 PolarHBondContact O-N 3.5Å; T897-K902 VanDerWaalsContact O-CE 3.3Å; T897-K902 WeakPolarHBondContact O-CE 3.2Å; T897-A974 HydrophobicContact CG2-CB 4.16Å |
| 898 | S | 88.8 | Confident | 83.5 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -70.8 | 137.6 | -176.5 | 71.6 | 0 | 0 | 0 | 0 | 113.1 | H895 I896 K900 H901 K902 | H895-S898 WeakPolarHBondContact O-CB 3.12Å; H895-S898 PolarHBondContact O-N 3.17Å; H895-S898 PolarHBondContact O-OG 3.48Å; I896-S898 VanDerWaalsContact C-N 3.33Å; S898-K900 VanDerWaalsContact C-N 3.3Å; S898-K900 PolarHBondContact O-N 2.86Å; S898-H901 WeakPolarHBondContact O-CA 3.34Å; S898-H901 WeakPolarHBondContact O-CB 3.47Å; S898-H901 PolarHBondContact O-N 3.22Å; S898-K902 PolarHBondContact O-N 3.4Å |
| 899 | E | 84.6 | Confident | 81.8 | Confident | 160 Ų | 160 | 71.3 Ų | 71.3 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -53.7 | -45.3 | -179 | -60.5 | 177.5 | 138.3 | 0 | 0 | 112.4 | H901 K902 E903 | E899-H901 PolarHBondContact O-N 2.94Å; E899-H901 VanDerWaalsContact O-N 3.1Å; E899-K902 PolarHBondContact O-N 3.31Å; E899-E903 WeakPolarHBondContact O-CG 3.36Å; E899-E903 PolarHBondContact O-N 3.05Å |
| 900 | K | 84.9 | Confident | 80 | Confident | 168 Ų | 168 | 72.8 Ų | 72.8 | 73% | 0.73 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.7 | -17.7 | 178.9 | -65 | -177.7 | 179.9 | 178 | 0 | 114 | S898 R904 | S898-K900 VanDerWaalsContact C-N 3.3Å; S898-K900 PolarHBondContact O-N 2.86Å; K900-R904 VanDerWaalsContact O-CD 3.31Å; K900-R904 WeakPolarHBondContact O-CD 3.27Å; K900-R904 WeakPolarHBondContact O-CG 3.38Å |
| 901 | H | 86.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -88.3 | -47.9 | 169.3 | 173.8 | 82 | 0 | 0 | 0 | 110.9 | C879 C882 H895 I896 S898 E899 E903 R904 V905 L972 | C879-H901 PolarHBondContact SG-CE1 3.4Å; C882-H901 PolarHBondContact SG-ND1 2.73Å; C882-H901 VanDerWaalsContact SG-ND1 3.42Å; H895-H901 AromaticContact CE1-CG 3.76Å; H895-H901 AromaticContact CE1-ND1 3.27Å; H895-H901 PolarHBondContact CE1-ND1 2.94Å; H895-H901 VanDerWaalsContact CE1-ND1 3.27Å; H895-H901 AromaticContact ND1-CG 3.9Å; H895-H901 AromaticContact ND1-ND1 3.84Å; H895-H901 WeakPolarHBondContact O-CB 3.32Å; I896-H901 PolarHBondContact O-CD2 3.06Å; S898-H901 WeakPolarHBondContact O-CA 3.34Å; S898-H901 WeakPolarHBondContact O-CB 3.47Å; S898-H901 PolarHBondContact O-N 3.22Å; E899-H901 PolarHBondContact O-N 2.94Å; E899-H901 VanDerWaalsContact O-N 3.1Å; H901-E903 VanDerWaalsContact C-N 3.27Å; H901-E903 PolarHBondContact O-N 3.42Å; H901-R904 WeakPolarHBondContact O-CA 3.31Å; H901-R904 WeakPolarHBondContact O-CB 3.46Å; H901-R904 PolarHBondContact O-N 3.15Å; H901-V905 PolarHBondContact O-N 3.02Å; H901-V905 VanDerWaalsContact O-N 3.13Å; H901-L972 PolarHBondContact NE2-O 2.92Å |
| 902 | K | 85.6 | Confident | 76.9 | Confident | 31 Ų | 31 | 68.3 Ų | 68.3 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -53.2 | -43.2 | 175.3 | -66.2 | -179.4 | 175.6 | -173.4 | 0 | 112.2 | T897 S898 E899 R904 V905 F906 D977 D979 F980 | T897-K902 VanDerWaalsContact O-CE 3.3Å; T897-K902 WeakPolarHBondContact O-CE 3.2Å; S898-K902 PolarHBondContact O-N 3.4Å; E899-K902 PolarHBondContact O-N 3.31Å; K902-R904 VanDerWaalsContact C-N 3.35Å; K902-R904 PolarHBondContact O-N 2.6Å; K902-V905 WeakPolarHBondContact O-CB 3.44Å; K902-V905 PolarHBondContact O-N 3.09Å; K902-F906 VanDerWaalsContact O-CD2 3.22Å; K902-F906 WeakPolarHBondContact O-CD2 3.4Å; K902-F906 PolarHBondContact O-N 3.12Å; K902-D977 WeakPolarHBondContact CE-OD2 3.4Å; K902-D977 IonicContact NZ-OD1 3.58Å; K902-D977 PolarHBondContact NZ-OD1 2.85Å; K902-D977 IonicContact NZ-OD2 2.83Å; K902-D977 PolarHBondContact NZ-OD2 3.4Å; K902-D979 PolarHBondContact NZ-O 2.83Å; K902-F980 HydrophobicContact CD-CD1 4.5Å |
| 903 | E | 82.3 | Confident | 74.9 | Confident | 91 Ų | 91 | 72.7 Ų | 72.7 | 43% | 0.425 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 174.5 | -72.2 | -162.4 | 118 | 0 | 0 | 112.2 | E899 H901 V905 F906 N907 K982 | E899-E903 WeakPolarHBondContact O-CG 3.36Å; E899-E903 PolarHBondContact O-N 3.05Å; H901-E903 VanDerWaalsContact C-N 3.27Å; H901-E903 PolarHBondContact O-N 3.42Å; E903-V905 VanDerWaalsContact C-N 3.28Å; E903-V905 PolarHBondContact O-N 3.03Å; E903-F906 CarbonylContact O-C 3.56Å; E903-F906 PolarHBondContact O-N 2.95Å; E903-F906 VanDerWaalsContact O-N 3.15Å; E903-N907 WeakPolarHBondContact O-CB 3.34Å; E903-N907 PolarHBondContact O-N 3.45Å; E903-K982 IonicContact OE1-NZ 3.58Å |
| 904 | R | 82.8 | Confident | 73.6 | Confident | 123 Ų | 123 | 70.1 Ų | 70.1 | 46% | 0.464 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.9 | -25.8 | 178.9 | -69.9 | 171.1 | 174.8 | -164.2 | -7.8 | 113.5 | C882 K900 H901 K902 | C882-R904 WeakPolarHBondContact SG-CD 3.21Å; C882-R904 PolarHBondContact SG-NH1 3.01Å; K900-R904 VanDerWaalsContact O-CD 3.31Å; K900-R904 WeakPolarHBondContact O-CD 3.27Å; K900-R904 WeakPolarHBondContact O-CG 3.38Å; H901-R904 WeakPolarHBondContact O-CA 3.31Å; H901-R904 WeakPolarHBondContact O-CB 3.46Å; H901-R904 PolarHBondContact O-N 3.15Å; K902-R904 VanDerWaalsContact C-N 3.35Å; K902-R904 PolarHBondContact O-N 2.6Å |
| 905 | V | 82.4 | Confident | 72.9 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 172.1 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | L881 H901 K902 E903 A967 I973 | L881-V905 HydrophobicContact CD1-CB 4.42Å; L881-V905 HydrophobicContact CD1-CG2 3.69Å; H901-V905 PolarHBondContact O-N 3.02Å; H901-V905 VanDerWaalsContact O-N 3.13Å; K902-V905 WeakPolarHBondContact O-CB 3.44Å; K902-V905 PolarHBondContact O-N 3.09Å; E903-V905 VanDerWaalsContact C-N 3.28Å; E903-V905 PolarHBondContact O-N 3.03Å; V905-A967 HydrophobicContact CG1-CB 3.65Å; V905-I973 HydrophobicContact CG1-CD1 4.34Å |
| 906 | F | 77.6 | Confident | 72.1 | Confident | 6 Ų | 6 | 70.9 Ų | 70.9 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -105.1 | 1.6 | -171.5 | -59 | -63.9 | 0 | 0 | 0 | 115.4 | K902 E903 L960 K963 L964 I973 F980 Y983 L987 | K902-F906 VanDerWaalsContact O-CD2 3.22Å; K902-F906 WeakPolarHBondContact O-CD2 3.4Å; K902-F906 PolarHBondContact O-N 3.12Å; E903-F906 CarbonylContact O-C 3.56Å; E903-F906 PolarHBondContact O-N 2.95Å; E903-F906 VanDerWaalsContact O-N 3.15Å; F906-L960 HydrophobicContact CB-CD2 3.96Å; F906-L960 HydrophobicContact CD1-CD2 3.7Å; F906-L960 HydrophobicContact CG-CD2 4.22Å; F906-K963 HydrophobicContact CD1-CB 4.48Å; F906-L964 HydrophobicContact CE1-CB 4.14Å; F906-L964 HydrophobicContact CZ-CB 4.39Å; F906-L964 HydrophobicContact CZ-CD1 4.04Å; F906-I973 HydrophobicContact CZ-CD1 4.38Å; F906-F980 HydrophobicContact CD2-CB 4.49Å; F906-F980 HydrophobicContact CE2-CB 3.88Å; F906-F980 AromaticContact CE2-CD1 3.62Å; F906-F980 HydrophobicContact CE2-CD1 3.62Å; F906-F980 HydrophobicContact CE2-CE1 4.39Å; F906-F980 AromaticContact CE2-CG 3.82Å; F906-F980 HydrophobicContact CE2-CG 3.82Å; F906-F980 HydrophobicContact CZ-CD1 4.04Å; F906-F980 HydrophobicContact CZ-CE1 4.47Å; F906-F980 HydrophobicContact CZ-CG 4.13Å; F906-Y983 HydrophobicContact CB-CD1 4.11Å; F906-Y983 HydrophobicContact CB-CD2 3.87Å; F906-Y983 HydrophobicContact CB-CE1 3.82Å; F906-Y983 HydrophobicContact CB-CE2 3.59Å; F906-Y983 HydrophobicContact CB-CG 4.13Å; F906-Y983 AromaticContact CD2-CD2 3.89Å; F906-Y983 HydrophobicContact CD2-CD2 3.89Å; F906-Y983 HydrophobicContact CD2-CE2 4.31Å; F906-Y983 HydrophobicContact CD2-CG 4.27Å; F906-Y983 HydrophobicContact CG-CD1 4.5Å; F906-Y983 HydrophobicContact CG-CD2 4.09Å; F906-Y983 HydrophobicContact CG-CE2 4.3Å; F906-Y983 HydrophobicContact CG-CG 4.2Å; F906-Y983 PolarHBondContact O-OH 3.47Å; F906-L987 HydrophobicContact CE1-CD1 4.36Å; F906-L987 HydrophobicContact CZ-CD1 4.2Å |
| 907 | N | 71.3 | Confident | 71.7 | Confident | 57 Ų | 57 | 74.9 Ų | 74.9 | 31% | 0.305 | 36% | 0.362 | S | S | . | . | trans | -141.6 | 79 | -176.9 | -174.7 | 46.8 | 0 | 0 | 0 | 110.5 | E903 Q912 | E903-N907 WeakPolarHBondContact O-CB 3.34Å; E903-N907 PolarHBondContact O-N 3.45Å; N907-Q912 PolarHBondContact ND2-NE2 3.23Å; N907-Q912 PolarHBondContact OD1-NE2 2.96Å | ||
| 908 | S | 59.6 | Low | 71.5 | Confident | 43 Ų | 43 | 74 Ų | 74 | 30% | 0.301 | 35% | 0.352 | S | S | . | . | trans | -74.1 | 146.9 | 160.6 | 11.5 | 0 | 0 | 0 | 0 | 109.2 | D910 D911 K963 | S908-D910 PolarHBondContact O-N 3.48Å; S908-D911 WeakPolarHBondContact CB-OD1 3.47Å; S908-D911 PolarHBondContact N-OD2 3.13Å; S908-D911 VanDerWaalsContact O-CB 3.3Å; S908-D911 WeakPolarHBondContact O-CB 3.39Å; S908-D911 PolarHBondContact O-N 2.84Å; S908-D911 PolarHBondContact OG-OD1 2.75Å; S908-D911 PolarHBondContact OG-OD2 2.97Å; S908-K963 PolarHBondContact OG-NZ 3.06Å | ||
| 909 | E | 46.6 | Very low | 71.2 | Confident | 167 Ų | 167 | 74.9 Ų | 74.9 | 78% | 0.78 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -61.7 | -29.7 | -178.5 | -61.1 | -175.9 | 150.3 | 0 | 0 | 111.8 | D911 | E909-D911 VanDerWaalsContact C-N 3.34Å; E909-D911 PolarHBondContact O-N 2.9Å |
| 910 | D | 44.5 | Very low | 71.1 | Confident | 126 Ų | 126 | 67.3 Ų | 67.3 | 67% | 0.674 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -66.1 | -28.1 | 172.3 | -58.8 | -68 | 0 | 0 | 0 | 114.2 | S908 Q912 N913 | S908-D910 PolarHBondContact O-N 3.48Å; D910-Q912 VanDerWaalsContact C-N 3.28Å; D910-Q912 PolarHBondContact O-N 2.78Å; D910-N913 PolarHBondContact O-N 2.84Å |
| 911 | D | 56.2 | Low | 70.7 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -66.6 | -32.4 | -176.5 | -64 | 3.4 | 0 | 0 | 0 | 111.7 | S908 E909 N913 C914 K963 | S908-D911 WeakPolarHBondContact CB-OD1 3.47Å; S908-D911 PolarHBondContact N-OD2 3.13Å; S908-D911 VanDerWaalsContact O-CB 3.3Å; S908-D911 WeakPolarHBondContact O-CB 3.39Å; S908-D911 PolarHBondContact O-N 2.84Å; S908-D911 PolarHBondContact OG-OD1 2.75Å; S908-D911 PolarHBondContact OG-OD2 2.97Å; E909-D911 VanDerWaalsContact C-N 3.34Å; E909-D911 PolarHBondContact O-N 2.9Å; D911-N913 PolarHBondContact O-N 2.79Å; D911-C914 PolarHBondContact O-N 2.98Å; D911-C914 PolarHBondContact O-SG 3.45Å; D911-K963 IonicContact OD1-NZ 3.22Å; D911-K963 PolarHBondContact OD1-NZ 3.42Å; D911-K963 IonicContact OD2-NZ 3.68Å; D911-K963 PolarHBondContact OD2-NZ 2.8Å |
| 912 | Q | 51.2 | Low | 70 | Confident | 122 Ų | 122 | 63.3 Ų | 63.3 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -66.2 | -27 | -177 | -63 | 177.1 | 19 | 0 | 0 | 111.1 | N907 D910 | N907-Q912 PolarHBondContact ND2-NE2 3.23Å; N907-Q912 PolarHBondContact OD1-NE2 2.96Å; D910-Q912 VanDerWaalsContact C-N 3.28Å; D910-Q912 PolarHBondContact O-N 2.78Å |
| 913 | N | 47.2 | Very low | 69.7 | Low | 95 Ų | 95 | 65.7 Ų | 65.7 | 51% | 0.508 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -84.3 | -10.6 | 175.4 | -73.6 | -54.3 | 0 | 0 | 0 | 113.8 | K514 D910 D911 | K514-N913 WeakPolarHBondContact CD-O 3.47Å; K514-N913 WeakPolarHBondContact CE-O 3.14Å; K514-N913 WeakPolarHBondContact CG-O 3.32Å; K514-N913 PolarHBondContact NZ-O 2.9Å; D910-N913 PolarHBondContact O-N 2.84Å; D911-N913 PolarHBondContact O-N 2.79Å |
| 914 | C | 60.6 | Low | 69.7 | Low | 17 Ų | 17 | 63.9 Ų | 63.9 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -11.4 | -171.9 | 79.9 | 0 | 0 | 0 | 0 | 116.5 | K514 D911 | K514-C914 WeakPolarHBondContact CB-O 3.39Å; K514-C914 VanDerWaalsContact CE-O 3.31Å; K514-C914 WeakPolarHBondContact CE-O 3.34Å; D911-C914 PolarHBondContact O-N 2.98Å; D911-C914 PolarHBondContact O-SG 3.45Å |
| 915 | W | 72.9 | Confident | 69.8 | Low | 33 Ų | 33 | 64.9 Ų | 64.9 | 13% | 0.125 | 33% | 0.325 | C | S | . | . | trans | -106.6 | 141.9 | 176.8 | -52.2 | 103.1 | 0 | 0 | 0 | 112.4 | K514 E952 E955 R956 F959 | K514-W915 VanDerWaalsContact CE-C 3.48Å; K514-W915 VanDerWaalsContact CE-O 3.31Å; K514-W915 WeakPolarHBondContact CE-O 3.44Å; K514-W915 PolarHBondContact NZ-O 2.79Å; W915-E952 WeakPolarHBondContact CB-OE1 3.04Å; W915-E952 HydrophobicContact CE3-CG 3.57Å; W915-E952 HydrophobicContact CZ3-CG 4.02Å; W915-E955 HydrophobicContact CZ3-CB 4.21Å; W915-R956 VanDerWaalsContact CD1-NH2 3.34Å; W915-R956 HydrophobicContact CD2-CB 4.1Å; W915-R956 HydrophobicContact CD2-CG 3.83Å; W915-R956 HydrophobicContact CE3-CB 3.86Å; W915-R956 HydrophobicContact CE3-CG 4.13Å; W915-R956 HydrophobicContact CG-CG 4.43Å; W915-R956 VanDerWaalsContact CG-CZ 3.4Å; W915-R956 VanDerWaalsContact CH2-CA 3.44Å; W915-R956 HydrophobicContact CH2-CB 3.83Å; W915-R956 HydrophobicContact CH2-CG 4.19Å; W915-R956 HydrophobicContact CZ2-CB 4.07Å; W915-R956 HydrophobicContact CZ2-CG 3.9Å; W915-R956 HydrophobicContact CZ3-CB 3.7Å; W915-R956 HydrophobicContact CZ3-CG 4.28Å; W915-F959 HydrophobicContact CH2-CB 4.17Å; W915-F959 HydrophobicContact CH2-CD1 4.49Å; W915-F959 HydrophobicContact CH2-CG 4.48Å; W915-F959 HydrophobicContact CZ2-CB 4.05Å; W915-F959 AromaticContact CZ2-CD1 3.56Å; W915-F959 HydrophobicContact CZ2-CD1 3.56Å; W915-F959 HydrophobicContact CZ2-CE1 4.12Å; W915-F959 AromaticContact CZ2-CG 3.93Å; W915-F959 HydrophobicContact CZ2-CG 3.93Å | ||
| 916 | Q | 71.9 | Confident | 70 | Confident | 117 Ų | 117 | 66.1 Ų | 66.1 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | trans | -100.4 | -31.4 | -179.3 | -58.4 | -176.4 | 53.1 | 0 | 0 | 113 | K514 E952 | K514-Q916 HydrophobicContact CD-CG 4.11Å; Q916-E952 WeakPolarHBondContact CB-OE2 3.35Å; Q916-E952 PolarHBondContact N-OE1 2.92Å; Q916-E952 PolarHBondContact N-OE2 3.17Å | ||
| 917 | Y | 81.4 | Confident | 70.5 | Confident | 85 Ų | 85 | 66 Ų | 66 | 33% | 0.333 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -97.4 | 163.7 | 179.6 | -63.5 | -86.7 | 0 | 0 | 0 | 111.3 | Q948 E949 E952 | Y917-Q948 HydrophobicContact CE2-CB 4.43Å; Y917-Q948 WeakPolarHBondContact OH-CB 3.38Å; Y917-E949 HydrophobicContact CD1-CB 3.65Å; Y917-E949 HydrophobicContact CD1-CG 4Å; Y917-E949 HydrophobicContact CE1-CB 4.01Å; Y917-E949 HydrophobicContact CG-CB 3.93Å; Y917-E949 HydrophobicContact CG-CG 4.03Å; Y917-E952 HydrophobicContact CD2-CB 3.86Å; Y917-E952 HydrophobicContact CD2-CG 4.38Å; Y917-E952 PolarHBondContact N-OE1 3.09Å |
| 918 | R | 82.6 | Confident | 71 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 17% | 0.17 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 159.8 | 175.9 | 52.4 | 172.4 | -177.5 | 134.6 | 7.5 | 111.3 | D938 D939 C941 L943 E949 W953 | R918-D938 PolarHBondContact NH1-O 2.92Å; R918-D939 PolarHBondContact NH1-O 2.89Å; R918-C941 PolarHBondContact NH1-O 2.99Å; R918-L943 PolarHBondContact NH2-O 3.32Å; R918-E949 WeakPolarHBondContact CG-OE1 3.43Å; R918-E949 IonicContact CZ-OE1 3.53Å; R918-E949 IonicContact CZ-OE2 3.27Å; R918-E949 IonicContact NE-OE1 3.68Å; R918-E949 PolarHBondContact NE-OE1 2.92Å; R918-E949 IonicContact NE-OE2 3.53Å; R918-E949 PolarHBondContact NE-OE2 2.94Å; R918-E949 IonicContact NH2-OE1 2.75Å; R918-E949 IonicContact NH2-OE2 3.72Å; R918-E949 PolarHBondContact NH2-OE2 3.46Å; R918-W953 HydrophobicContact CG-CZ2 4.41Å; R918-W953 PolarHBondContact O-NE1 3.42Å |
| 919 | F | 81.7 | Confident | 72.1 | Confident | 58 Ų | 58 | 74.1 Ų | 74.1 | 25% | 0.254 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 141.4 | 174.8 | -168.5 | -108.1 | 0 | 0 | 0 | 110 | Y983 F985 L986 | F919-Y983 HydrophobicContact CE2-CD1 4.13Å; F919-Y983 AromaticContact CE2-CE1 3.94Å; F919-Y983 HydrophobicContact CE2-CE1 3.94Å; F919-Y983 AromaticContact CZ-CD1 3.79Å; F919-Y983 HydrophobicContact CZ-CD1 3.79Å; F919-Y983 AromaticContact CZ-CE1 3.94Å; F919-Y983 HydrophobicContact CZ-CE1 3.94Å; F919-F985 AromaticContact CE1-CE1 3.96Å; F919-F985 HydrophobicContact CE1-CE1 3.96Å; F919-F985 HydrophobicContact CE1-CZ 4.26Å; F919-L986 HydrophobicContact CE1-CD1 4.46Å; F919-L986 HydrophobicContact CE2-CD1 4.07Å; F919-L986 HydrophobicContact CZ-CD1 3.67Å |
| 920 | P | 82.4 | Confident | 73.8 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.013 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 147.8 | 176.6 | -15.3 | 27.2 | 0 | 0 | 0 | 111.2 | W953 F985 L986 | P920-W953 HydrophobicContact CB-CD2 3.67Å; P920-W953 HydrophobicContact CB-CE3 3.77Å; P920-W953 HydrophobicContact CB-CG 4.06Å; P920-W953 HydrophobicContact CB-CH2 4.46Å; P920-W953 HydrophobicContact CB-CZ2 4.37Å; P920-W953 HydrophobicContact CB-CZ3 4.18Å; P920-W953 HydrophobicContact CG-CB 3.97Å; P920-W953 HydrophobicContact CG-CD2 3.8Å; P920-W953 HydrophobicContact CG-CE3 4.36Å; P920-W953 HydrophobicContact CG-CG 3.63Å; P920-F985 HydrophobicContact CB-CE2 4.14Å; P920-F985 HydrophobicContact CB-CZ 3.98Å; P920-F985 WeakPolarHBondContact O-CZ 3.35Å; P920-L986 HydrophobicContact CB-CD2 4.06Å; P920-L986 HydrophobicContact CG-CD2 3.99Å |
| 921 | T | 76.3 | Confident | 75.5 | Confident | 66 Ų | 66 | 70 Ų | 70 | 41% | 0.405 | 34% | 0.336 | S | S | . | . | trans | -129.6 | 1.6 | -178.2 | 56 | 0 | 0 | 0 | 0 | 113.6 | C941 | T921-C941 PolarHBondContact OG1-O 3Š| ||
| 922 | G | 73.3 | Confident | 76.7 | Confident | 19 Ų | 19 | 75.7 Ų | 75.7 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -165.5 | -134.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | K942 | G922-K942 CarbonylContact C-O 3.53Å; G922-K942 WeakPolarHBondContact CA-O 3.46Å |
| 923 | T | 77.9 | Confident | 78 | Confident | 81 Ų | 81 | 73.4 Ų | 73.4 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | trans | -92.8 | 144.5 | -172.8 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | K925 K942 L943 | T923-K925 PolarHBondContact O-N 3.42Å; T923-K942 PolarHBondContact N-O 3.1Å; T923-K942 VanDerWaalsContact N-O 3.07Å; T923-L943 VanDerWaalsContact OG1-CD2 3.24Å; T923-L943 WeakPolarHBondContact OG1-CD2 3.38Å | ||
| 924 | F | 84.1 | Confident | 79.6 | Confident | 53 Ų | 53 | 73 Ų | 73 | 23% | 0.232 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -68.2 | 71.1 | 173.6 | -58.7 | -80.8 | 0 | 0 | 0 | 112.6 | L950 W953 M954 R957 L986 | F924-L950 HydrophobicContact CB-CD1 3.84Å; F924-L950 HydrophobicContact CD1-CD1 4.42Å; F924-W953 HydrophobicContact CD1-CB 4.13Å; F924-W953 HydrophobicContact CE1-CB 4.07Å; F924-W953 WeakPolarHBondContact CE1-O 3.41Å; F924-M954 HydrophobicContact CD1-CG 3.99Å; F924-R957 HydrophobicContact CE1-CB 4.12Å; F924-R957 HydrophobicContact CE2-CG 4.37Å; F924-R957 HydrophobicContact CZ-CB 3.84Å; F924-R957 HydrophobicContact CZ-CG 3.76Å; F924-L986 HydrophobicContact CE1-CD2 4.32Å; F924-L986 HydrophobicContact CE2-CD2 4.4Å; F924-L986 HydrophobicContact CZ-CD2 3.58Å |
| 925 | K | 84.3 | Confident | 80.6 | Confident | 144 Ų | 144 | 73.2 Ų | 73.2 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -145.2 | 149.8 | 174.1 | -67.7 | -173.7 | 178.1 | -176.3 | 0 | 109.9 | T923 L943 A944 | T923-K925 PolarHBondContact O-N 3.42Å; K925-L943 HydrophobicContact CB-CD2 4.03Å; K925-A944 PolarHBondContact O-N 3.1Å |
| 926 | V | 86.9 | Confident | 80.7 | Confident | 36 Ų | 36 | 77.8 Ų | 77.8 | 22% | 0.218 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 141.3 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | E928 L931 A944 E947 L950 | V926-E928 PolarHBondContact O-N 3.05Å; V926-L931 HydrophobicContact CG1-CD1 3.74Å; V926-L931 HydrophobicContact CG1-CD2 4.03Å; V926-L931 HydrophobicContact CG1-CG 3.82Å; V926-A944 CarbonylContact C-O 3.57Å; V926-A944 WeakPolarHBondContact CA-O 3.33Å; V926-E947 HydrophobicContact CG2-CG 4.26Å; V926-L950 HydrophobicContact CG2-CB 4.32Å; V926-L950 HydrophobicContact CG2-CD2 3.64Å |
| 927 | C | 87.1 | Confident | 80.7 | Confident | 4 Ų | 4 | 75.8 Ų | 75.8 | 3% | 0.027 | 39% | 0.394 | C | S | . | . | trans | -75.8 | 107.4 | 176.7 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | R929 F930 L931 L943 A944 | C927-R929 PolarHBondContact O-N 3.26Å; C927-F930 HydrophobicContact CB-CB 3.76Å; C927-F930 WeakPolarHBondContact O-CB 3.46Å; C927-F930 PolarHBondContact O-N 2.88Å; C927-L931 PolarHBondContact O-N 2.88Å; C927-L943 HydrophobicContact CB-CB 3.63Å; C927-L943 HydrophobicContact CB-CD1 4.31Å; C927-A944 PolarHBondContact N-O 2.85Å | ||
| 928 | E | 82.9 | Confident | 80.4 | Confident | 125 Ų | 125 | 76.7 Ų | 76.7 | 58% | 0.584 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.3 | -33.1 | 175.2 | -74.4 | -169.4 | -139.3 | 0 | 0 | 113.7 | V926 F930 L931 K932 | V926-E928 PolarHBondContact O-N 3.05Å; E928-F930 VanDerWaalsContact C-N 3.34Å; E928-L931 PolarHBondContact O-N 3.46Å; E928-K932 WeakPolarHBondContact O-CB 3.41Å; E928-K932 WeakPolarHBondContact O-CD 3.46Å; E928-K932 VanDerWaalsContact O-CG 3.27Å; E928-K932 WeakPolarHBondContact O-CG 3.47Å; E928-K932 PolarHBondContact O-N 3.23Å; E928-K932 VanDerWaalsContact O-N 3.08Å; E928-K932 IonicContact OE2-NZ 3.74Å; E928-K932 PolarHBondContact OE2-NZ 3.5Å |
| 929 | R | 82.8 | Confident | 79.8 | Confident | 145 Ų | 145 | 80.2 Ų | 80.2 | 55% | 0.547 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 175.9 | -63.2 | -179.1 | -178.7 | 163.6 | -2.3 | 110.9 | C927 K932 G933 T934 C935 E937 | C927-R929 PolarHBondContact O-N 3.26Å; R929-K932 CarbonylContact O-C 3.39Å; R929-K932 PolarHBondContact O-N 3.05Å; R929-G933 PolarHBondContact O-N 3.1Å; R929-G933 VanDerWaalsContact O-N 3.15Å; R929-T934 CarbonylContact O-C 3.56Å; R929-T934 PolarHBondContact O-N 3.29Å; R929-T934 PolarHBondContact O-OG1 2.82Å; R929-T934 VanDerWaalsContact O-OG1 3.13Å; R929-C935 HydrophobicContact CB-CB 4.23Å; R929-C935 PolarHBondContact O-N 2.92Å; R929-E937 IonicContact NH1-OE1 2.81Å; R929-E937 PolarHBondContact NH1-OE1 2.78Å |
| 930 | F | 81.6 | Confident | 79.4 | Confident | 88 Ų | 88 | 84.4 Ų | 84.4 | 39% | 0.386 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 175.4 | -177.1 | -95.8 | 0 | 0 | 0 | 111.8 | C927 E928 K932 G933 C935 H945 | C927-F930 HydrophobicContact CB-CB 3.76Å; C927-F930 WeakPolarHBondContact O-CB 3.46Å; C927-F930 PolarHBondContact O-N 2.88Å; E928-F930 VanDerWaalsContact C-N 3.34Å; F930-K932 PolarHBondContact O-N 3.38Å; F930-K932 VanDerWaalsContact O-N 3.16Å; F930-G933 PolarHBondContact O-N 3.05Å; F930-C935 HydrophobicContact CB-CB 4.04Å; F930-C935 HydrophobicContact CD2-CB 4.4Å; F930-H945 HydrophobicContact CD1-CB 3.8Å; F930-H945 HydrophobicContact CD2-CB 3.76Å; F930-H945 AromaticContact CD2-CD2 3.8Å; F930-H945 AromaticContact CD2-CE1 3.97Å; F930-H945 AromaticContact CD2-CG 3.47Å; F930-H945 VanDerWaalsContact CD2-CG 3.47Å; F930-H945 AromaticContact CD2-ND1 3.6Å; F930-H945 VanDerWaalsContact CE1-C 3.5Å; F930-H945 HydrophobicContact CE1-CB 3.82Å; F930-H945 VanDerWaalsContact CE1-O 3.29Å; F930-H945 WeakPolarHBondContact CE1-O 3.27Å; F930-H945 HydrophobicContact CE2-CB 3.79Å; F930-H945 AromaticContact CE2-CG 3.88Å; F930-H945 AromaticContact CE2-ND1 3.9Å; F930-H945 HydrophobicContact CG-CB 3.76Å; F930-H945 AromaticContact CG-CD2 3.69Å; F930-H945 AromaticContact CG-CG 3.66Å; F930-H945 HydrophobicContact CZ-CB 3.82Å |
| 931 | L | 79.4 | Confident | 79.4 | Confident | 117 Ų | 117 | 84.5 Ų | 84.5 | 61% | 0.613 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.7 | -26.6 | 173.4 | -66.7 | 176.6 | 0 | 0 | 0 | 113.1 | V926 C927 E928 | V926-L931 HydrophobicContact CG1-CD1 3.74Å; V926-L931 HydrophobicContact CG1-CD2 4.03Å; V926-L931 HydrophobicContact CG1-CG 3.82Å; C927-L931 PolarHBondContact O-N 2.88Å; E928-L931 PolarHBondContact O-N 3.46Å |
| 932 | K | 82.6 | Confident | 79.6 | Confident | 137 Ų | 137 | 88 Ų | 88 | 60% | 0.596 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 9.8 | 176.1 | -66.3 | 162.8 | -175.4 | 161.5 | 0 | 113.2 | E928 R929 F930 T934 | E928-K932 WeakPolarHBondContact O-CB 3.41Å; E928-K932 WeakPolarHBondContact O-CD 3.46Å; E928-K932 VanDerWaalsContact O-CG 3.27Å; E928-K932 WeakPolarHBondContact O-CG 3.47Å; E928-K932 PolarHBondContact O-N 3.23Å; E928-K932 VanDerWaalsContact O-N 3.08Å; E928-K932 IonicContact OE2-NZ 3.74Å; E928-K932 PolarHBondContact OE2-NZ 3.5Å; R929-K932 CarbonylContact O-C 3.39Å; R929-K932 PolarHBondContact O-N 3.05Å; F930-K932 PolarHBondContact O-N 3.38Å; F930-K932 VanDerWaalsContact O-N 3.16Å; K932-T934 VanDerWaalsContact C-N 3.26Å; K932-T934 PolarHBondContact O-N 3.31Å; K932-T934 PolarHBondContact O-OG1 2.94Å |
| 933 | G | 78.1 | Confident | 80.2 | Confident | 74 Ų | 74 | 89.6 Ų | 89.6 | 76% | 0.763 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 22.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | R929 F930 | R929-G933 PolarHBondContact O-N 3.1Å; R929-G933 VanDerWaalsContact O-N 3.15Å; F930-G933 PolarHBondContact O-N 3.05Å |
| 934 | T | 81.3 | Confident | 80.5 | Confident | 87 Ų | 87 | 85.8 Ų | 85.8 | 53% | 0.534 | 44% | 0.442 | S | S | . | . | trans | -130.1 | 20.8 | -169 | 44.8 | 0 | 0 | 0 | 0 | 113.2 | R929 K932 | R929-T934 CarbonylContact O-C 3.56Å; R929-T934 PolarHBondContact O-N 3.29Å; R929-T934 PolarHBondContact O-OG1 2.82Å; R929-T934 VanDerWaalsContact O-OG1 3.13Å; K932-T934 VanDerWaalsContact C-N 3.26Å; K932-T934 PolarHBondContact O-N 3.31Å; K932-T934 PolarHBondContact O-OG1 2.94Å | ||
| 935 | C | 80.4 | Confident | 80.7 | Confident | 21 Ų | 21 | 84.8 Ų | 84.8 | 14% | 0.142 | 44% | 0.438 | C | S | . | . | trans | -78.2 | 132.5 | 169.6 | -160.8 | 0 | 0 | 0 | 0 | 109.7 | R929 F930 H945 | R929-C935 HydrophobicContact CB-CB 4.23Å; R929-C935 PolarHBondContact O-N 2.92Å; F930-C935 HydrophobicContact CB-CB 4.04Å; F930-C935 HydrophobicContact CD2-CB 4.4Å; C935-H945 PolarHBondContact SG-NE2 3.09Å | ||
| 936 | T | 76.4 | Confident | 80.8 | Confident | 129 Ų | 129 | 78.6 Ų | 78.6 | 79% | 0.791 | 42% | 0.415 | S | S | * | . | trans | -116.1 | 10.3 | 176.7 | 60 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 937 | E | 72.1 | Confident | 80.7 | Confident | 76 Ų | 76 | 84.4 Ų | 84.4 | 36% | 0.355 | 44% | 0.44 | S | S | . | . | trans | -107.2 | -10.2 | -172.9 | -68.6 | 174.8 | -147.8 | 0 | 0 | 113.2 | R929 D939 L940 C941 | R929-E937 IonicContact NH1-OE1 2.81Å; R929-E937 PolarHBondContact NH1-OE1 2.78Å; E937-D939 PolarHBondContact O-N 2.8Å; E937-L940 CarbonylContact O-C 3.52Å; E937-L940 WeakPolarHBondContact O-CA 3.47Å; E937-L940 WeakPolarHBondContact O-CB 3.49Å; E937-L940 PolarHBondContact O-N 3.38Å; E937-C941 HydrophobicContact CB-CB 3.75Å; E937-C941 PolarHBondContact O-N 3.48Å; E937-C941 VanDerWaalsContact O-N 3.16Å | ||
| 938 | D | 73.5 | Confident | 80.6 | Confident | 103 Ų | 103 | 91.2 Ų | 91.2 | 55% | 0.551 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | 33.5 | -114.8 | 177.5 | -68.2 | -22.3 | 0 | 0 | 0 | 114.6 | R918 L940 C941 H945 | R918-D938 PolarHBondContact NH1-O 2.92Å; D938-L940 VanDerWaalsContact C-N 3.27Å; D938-L940 PolarHBondContact O-N 2.81Å; D938-C941 VanDerWaalsContact O-CB 3.27Å; D938-C941 WeakPolarHBondContact O-CB 3.31Å; D938-C941 PolarHBondContact O-N 3.25Å; D938-H945 PolarHBondContact O-CE1 3.21Å |
| 939 | D | 70.1 | Confident | 80.7 | Confident | 119 Ų | 119 | 85.6 Ų | 85.6 | 64% | 0.636 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -63.5 | -29.3 | -178.4 | -76.2 | -46.5 | 0 | 0 | 0 | 113.7 | R918 E937 C941 | R918-D939 PolarHBondContact NH1-O 2.89Å; E937-D939 PolarHBondContact O-N 2.8Å; D939-C941 VanDerWaalsContact C-N 3.32Å |
| 940 | L | 74.3 | Confident | 80.9 | Confident | 147 Ų | 147 | 80.1 Ų | 80.1 | 77% | 0.77 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -79.2 | -13.4 | 179.5 | -59.3 | 176.3 | 0 | 0 | 0 | 113.1 | E937 D938 K942 | E937-L940 CarbonylContact O-C 3.52Å; E937-L940 WeakPolarHBondContact O-CA 3.47Å; E937-L940 WeakPolarHBondContact O-CB 3.49Å; E937-L940 PolarHBondContact O-N 3.38Å; D938-L940 VanDerWaalsContact C-N 3.27Å; D938-L940 PolarHBondContact O-N 2.81Å; L940-K942 PolarHBondContact O-N 2.83Å |
| 941 | C | 81.3 | Confident | 81.1 | Confident | 4 Ų | 4 | 82.2 Ų | 82.2 | 3% | 0.027 | 44% | 0.435 | C | S | . | . | trans | -61.3 | 124.8 | -176.1 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | R918 T921 E937 D938 D939 L943 H945 | R918-C941 PolarHBondContact NH1-O 2.99Å; T921-C941 PolarHBondContact OG1-O 3Å; E937-C941 HydrophobicContact CB-CB 3.75Å; E937-C941 PolarHBondContact O-N 3.48Å; E937-C941 VanDerWaalsContact O-N 3.16Å; D938-C941 VanDerWaalsContact O-CB 3.27Å; D938-C941 WeakPolarHBondContact O-CB 3.31Å; D938-C941 PolarHBondContact O-N 3.25Å; D939-C941 VanDerWaalsContact C-N 3.32Å; C941-L943 PolarHBondContact O-N 3.02Å; C941-H945 VanDerWaalsContact CB-NE2 3.33Å; C941-H945 WeakPolarHBondContact CB-NE2 3.16Å; C941-H945 PolarHBondContact SG-NE2 3.2Å | ||
| 942 | K | 81.8 | Confident | 81.5 | Confident | 140 Ų | 140 | 77.5 Ų | 77.5 | 61% | 0.609 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -74.6 | 9 | -176 | -65.2 | 174.5 | -176.4 | 170.2 | 0 | 114.7 | G922 T923 L940 | G922-K942 CarbonylContact C-O 3.53Å; G922-K942 WeakPolarHBondContact CA-O 3.46Å; T923-K942 PolarHBondContact N-O 3.1Å; T923-K942 VanDerWaalsContact N-O 3.07Å; L940-K942 PolarHBondContact O-N 2.83Å |
| 943 | L | 84.6 | Confident | 81.7 | Confident | 52 Ų | 52 | 71 Ų | 71 | 27% | 0.272 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -132.6 | 154.1 | -175.4 | -63.3 | 176.8 | 0 | 0 | 0 | 109.4 | R918 T923 K925 C927 C941 | R918-L943 PolarHBondContact NH2-O 3.32Å; T923-L943 VanDerWaalsContact OG1-CD2 3.24Å; T923-L943 WeakPolarHBondContact OG1-CD2 3.38Å; K925-L943 HydrophobicContact CB-CD2 4.03Å; C927-L943 HydrophobicContact CB-CB 3.63Å; C927-L943 HydrophobicContact CB-CD1 4.31Å; C941-L943 PolarHBondContact O-N 3.02Å |
| 944 | A | 85.3 | Confident | 82 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -76.9 | 135.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K925 V926 C927 G946 E949 L950 W953 | K925-A944 PolarHBondContact O-N 3.1Å; V926-A944 CarbonylContact C-O 3.57Å; V926-A944 WeakPolarHBondContact CA-O 3.33Å; C927-A944 PolarHBondContact N-O 2.85Å; A944-G946 PolarHBondContact O-N 3.43Å; A944-E949 WeakPolarHBondContact CA-OE2 3.3Å; A944-E949 HydrophobicContact CB-CB 4.31Å; A944-E949 HydrophobicContact CB-CG 4.13Å; A944-L950 HydrophobicContact CB-CB 3.71Å; A944-L950 HydrophobicContact CB-CD1 4.29Å; A944-W953 HydrophobicContact CB-CD2 4.42Å; A944-W953 HydrophobicContact CB-CE3 4.03Å; A944-W953 HydrophobicContact CB-CH2 4.46Å; A944-W953 HydrophobicContact CB-CZ3 4.06Å |
| 945 | H | 87.9 | Confident | 82.1 | Confident | 33 Ų | 33 | 72 Ų | 72 | 15% | 0.153 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -85.6 | 61.9 | 178.8 | -73 | -178.2 | 0 | 0 | 0 | 111 | F930 C935 D938 C941 E949 | F930-H945 HydrophobicContact CD1-CB 3.8Å; F930-H945 HydrophobicContact CD2-CB 3.76Å; F930-H945 AromaticContact CD2-CD2 3.8Å; F930-H945 AromaticContact CD2-CE1 3.97Å; F930-H945 AromaticContact CD2-CG 3.47Å; F930-H945 VanDerWaalsContact CD2-CG 3.47Å; F930-H945 AromaticContact CD2-ND1 3.6Å; F930-H945 VanDerWaalsContact CE1-C 3.5Å; F930-H945 HydrophobicContact CE1-CB 3.82Å; F930-H945 VanDerWaalsContact CE1-O 3.29Å; F930-H945 WeakPolarHBondContact CE1-O 3.27Å; F930-H945 HydrophobicContact CE2-CB 3.79Å; F930-H945 AromaticContact CE2-CG 3.88Å; F930-H945 AromaticContact CE2-ND1 3.9Å; F930-H945 HydrophobicContact CG-CB 3.76Å; F930-H945 AromaticContact CG-CD2 3.69Å; F930-H945 AromaticContact CG-CG 3.66Å; F930-H945 HydrophobicContact CZ-CB 3.82Å; C935-H945 PolarHBondContact SG-NE2 3.09Å; D938-H945 PolarHBondContact O-CE1 3.21Å; C941-H945 VanDerWaalsContact CB-NE2 3.33Å; C941-H945 WeakPolarHBondContact CB-NE2 3.16Å; C941-H945 PolarHBondContact SG-NE2 3.2Å; H945-E949 PolarHBondContact N-OE2 2.62Å |
| 946 | G | 86 | Confident | 82.2 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 14% | 0.144 | 36% | 0.363 | C | S | . | . | S | Bend | trans | 114.2 | 166.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A944 Q948 E949 L950 | A944-G946 PolarHBondContact O-N 3.43Å; G946-Q948 VanDerWaalsContact C-N 3.26Å; G946-Q948 PolarHBondContact O-N 2.81Å; G946-E949 PolarHBondContact O-N 2.66Å; G946-L950 PolarHBondContact O-N 3.37Å; G946-L950 VanDerWaalsContact O-N 3.11Å |
| 947 | E | 84.9 | Confident | 82.6 | Confident | 158 Ų | 158 | 69.6 Ų | 69.6 | 74% | 0.738 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.6 | -29.1 | -177.8 | -62.6 | 171.9 | 170.2 | 0 | 0 | 112.7 | V926 L950 K951 | V926-E947 HydrophobicContact CG2-CG 4.26Å; E947-L950 PolarHBondContact O-N 3.4Å; E947-K951 WeakPolarHBondContact O-CB 3.18Å; E947-K951 PolarHBondContact O-N 2.9Å |
| 948 | Q | 84.5 | Confident | 83.1 | Confident | 147 Ų | 147 | 71.8 Ų | 71.8 | 69% | 0.687 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -73 | -42 | -179.5 | -64.8 | 170.9 | 2.3 | 0 | 0 | 111.8 | Y917 G946 K951 E952 | Y917-Q948 HydrophobicContact CE2-CB 4.43Å; Y917-Q948 WeakPolarHBondContact OH-CB 3.38Å; G946-Q948 VanDerWaalsContact C-N 3.26Å; G946-Q948 PolarHBondContact O-N 2.81Å; Q948-K951 PolarHBondContact O-N 3.37Å; Q948-E952 PolarHBondContact O-N 2.98Å; Q948-E952 VanDerWaalsContact O-N 3.13Å |
| 949 | E | 86.9 | Confident | 83.4 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 3% | 0.033 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 170.1 | 178 | 167.6 | -117.9 | 0 | 0 | 110.6 | Y917 R918 A944 H945 G946 K951 E952 W953 | Y917-E949 HydrophobicContact CD1-CB 3.65Å; Y917-E949 HydrophobicContact CD1-CG 4Å; Y917-E949 HydrophobicContact CE1-CB 4.01Å; Y917-E949 HydrophobicContact CG-CB 3.93Å; Y917-E949 HydrophobicContact CG-CG 4.03Å; R918-E949 WeakPolarHBondContact CG-OE1 3.43Å; R918-E949 IonicContact CZ-OE1 3.53Å; R918-E949 IonicContact CZ-OE2 3.27Å; R918-E949 IonicContact NE-OE1 3.68Å; R918-E949 PolarHBondContact NE-OE1 2.92Å; R918-E949 IonicContact NE-OE2 3.53Å; R918-E949 PolarHBondContact NE-OE2 2.94Å; R918-E949 IonicContact NH2-OE1 2.75Å; R918-E949 IonicContact NH2-OE2 3.72Å; R918-E949 PolarHBondContact NH2-OE2 3.46Å; A944-E949 WeakPolarHBondContact CA-OE2 3.3Å; A944-E949 HydrophobicContact CB-CB 4.31Å; A944-E949 HydrophobicContact CB-CG 4.13Å; H945-E949 PolarHBondContact N-OE2 2.62Å; G946-E949 PolarHBondContact O-N 2.66Å; E949-K951 VanDerWaalsContact C-N 3.29Å; E949-K951 PolarHBondContact O-N 2.61Å; E949-E952 PolarHBondContact O-N 3.13Å; E949-W953 HydrophobicContact CG-CD2 4.13Å; E949-W953 HydrophobicContact CG-CG 4.24Å; E949-W953 HydrophobicContact CG-CZ2 4.06Å; E949-W953 VanDerWaalsContact CG-NE1 3.31Å; E949-W953 WeakPolarHBondContact O-CB 3.33Å; E949-W953 VanDerWaalsContact O-CD1 3.27Å; E949-W953 VanDerWaalsContact O-CG 3.31Å; E949-W953 PolarHBondContact O-N 2.85Å |
| 950 | L | 86.9 | Confident | 84 | Confident | 29 Ų | 29 | 62.2 Ų | 62.2 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 179 | 179.8 | 56.9 | 0 | 0 | 0 | 112.1 | F924 V926 A944 G946 E947 W953 M954 | F924-L950 HydrophobicContact CB-CD1 3.84Å; F924-L950 HydrophobicContact CD1-CD1 4.42Å; V926-L950 HydrophobicContact CG2-CB 4.32Å; V926-L950 HydrophobicContact CG2-CD2 3.64Å; A944-L950 HydrophobicContact CB-CB 3.71Å; A944-L950 HydrophobicContact CB-CD1 4.29Å; G946-L950 PolarHBondContact O-N 3.37Å; G946-L950 VanDerWaalsContact O-N 3.11Å; E947-L950 PolarHBondContact O-N 3.4Å; L950-W953 WeakPolarHBondContact O-CB 3.48Å; L950-W953 PolarHBondContact O-N 3.34Å; L950-M954 HydrophobicContact CG-SD 4.47Å; L950-M954 WeakPolarHBondContact O-CG 3.28Å; L950-M954 PolarHBondContact O-N 3.44Å |
| 951 | K | 84.6 | Confident | 84.4 | Confident | 132 Ų | 132 | 57.8 Ų | 57.8 | 57% | 0.574 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.6 | -47 | 177.1 | -178.3 | 171.4 | 172.8 | 172.6 | 0 | 111.8 | E947 Q948 E949 W953 M954 E955 | E947-K951 WeakPolarHBondContact O-CB 3.18Å; E947-K951 PolarHBondContact O-N 2.9Å; Q948-K951 PolarHBondContact O-N 3.37Å; E949-K951 VanDerWaalsContact C-N 3.29Å; E949-K951 PolarHBondContact O-N 2.61Å; K951-W953 VanDerWaalsContact C-N 3.29Å; K951-W953 PolarHBondContact O-N 2.7Å; K951-M954 PolarHBondContact O-N 3.12Å; K951-M954 VanDerWaalsContact O-N 3.14Å; K951-E955 WeakPolarHBondContact CE-OE1 3.35Å; K951-E955 IonicContact NZ-OE1 3.96Å; K951-E955 PolarHBondContact O-N 3.35Å |
| 952 | E | 87.7 | Confident | 84.3 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 176.9 | -166.3 | -176.9 | 96.8 | 0 | 0 | 111.5 | W915 Q916 Y917 Q948 E949 M954 E955 R956 | W915-E952 WeakPolarHBondContact CB-OE1 3.04Å; W915-E952 HydrophobicContact CE3-CG 3.57Å; W915-E952 HydrophobicContact CZ3-CG 4.02Å; Q916-E952 WeakPolarHBondContact CB-OE2 3.35Å; Q916-E952 PolarHBondContact N-OE1 2.92Å; Q916-E952 PolarHBondContact N-OE2 3.17Å; Y917-E952 HydrophobicContact CD2-CB 3.86Å; Y917-E952 HydrophobicContact CD2-CG 4.38Å; Y917-E952 PolarHBondContact N-OE1 3.09Å; Q948-E952 PolarHBondContact O-N 2.98Å; Q948-E952 VanDerWaalsContact O-N 3.13Å; E949-E952 PolarHBondContact O-N 3.13Å; E952-M954 VanDerWaalsContact C-N 3.32Å; E952-M954 PolarHBondContact O-N 2.86Å; E952-E955 PolarHBondContact O-N 3.28Å; E952-R956 WeakPolarHBondContact O-CB 3.29Å; E952-R956 PolarHBondContact O-N 2.99Å |
| 953 | W | 87.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 173 | -75.4 | 13.2 | 0 | 0 | 0 | 112.3 | R918 P920 F924 A944 E949 L950 K951 R957 | R918-W953 HydrophobicContact CG-CZ2 4.41Å; R918-W953 PolarHBondContact O-NE1 3.42Å; P920-W953 HydrophobicContact CB-CD2 3.67Å; P920-W953 HydrophobicContact CB-CE3 3.77Å; P920-W953 HydrophobicContact CB-CG 4.06Å; P920-W953 HydrophobicContact CB-CH2 4.46Å; P920-W953 HydrophobicContact CB-CZ2 4.37Å; P920-W953 HydrophobicContact CB-CZ3 4.18Å; P920-W953 HydrophobicContact CG-CB 3.97Å; P920-W953 HydrophobicContact CG-CD2 3.8Å; P920-W953 HydrophobicContact CG-CE3 4.36Å; P920-W953 HydrophobicContact CG-CG 3.63Å; F924-W953 HydrophobicContact CD1-CB 4.13Å; F924-W953 HydrophobicContact CE1-CB 4.07Å; F924-W953 WeakPolarHBondContact CE1-O 3.41Å; A944-W953 HydrophobicContact CB-CD2 4.42Å; A944-W953 HydrophobicContact CB-CE3 4.03Å; A944-W953 HydrophobicContact CB-CH2 4.46Å; A944-W953 HydrophobicContact CB-CZ3 4.06Å; E949-W953 HydrophobicContact CG-CD2 4.13Å; E949-W953 HydrophobicContact CG-CG 4.24Å; E949-W953 HydrophobicContact CG-CZ2 4.06Å; E949-W953 VanDerWaalsContact CG-NE1 3.31Å; E949-W953 WeakPolarHBondContact O-CB 3.33Å; E949-W953 VanDerWaalsContact O-CD1 3.27Å; E949-W953 VanDerWaalsContact O-CG 3.31Å; E949-W953 PolarHBondContact O-N 2.85Å; L950-W953 WeakPolarHBondContact O-CB 3.48Å; L950-W953 PolarHBondContact O-N 3.34Å; K951-W953 VanDerWaalsContact C-N 3.29Å; K951-W953 PolarHBondContact O-N 2.7Å; W953-R957 PolarHBondContact O-N 2.88Å |
| 954 | M | 83.6 | Confident | 84.3 | Confident | 90 Ų | 90 | 54.3 Ų | 54.3 | 44% | 0.443 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.1 | -47.4 | 175.7 | -70.8 | 176.3 | 62.5 | 0 | 0 | 112.2 | F924 L950 K951 E952 R956 R957 E958 | F924-M954 HydrophobicContact CD1-CG 3.99Å; L950-M954 HydrophobicContact CG-SD 4.47Å; L950-M954 WeakPolarHBondContact O-CG 3.28Å; L950-M954 PolarHBondContact O-N 3.44Å; K951-M954 PolarHBondContact O-N 3.12Å; K951-M954 VanDerWaalsContact O-N 3.14Å; E952-M954 VanDerWaalsContact C-N 3.32Å; E952-M954 PolarHBondContact O-N 2.86Å; M954-R956 PolarHBondContact O-N 3.27Å; M954-R957 WeakPolarHBondContact O-CA 3.27Å; M954-R957 VanDerWaalsContact O-CB 3.27Å; M954-R957 WeakPolarHBondContact O-CB 3.31Å; M954-R957 PolarHBondContact O-N 3.26Å; M954-E958 PolarHBondContact O-N 3.49Å |
| 955 | E | 82.9 | Confident | 84.2 | Confident | 92 Ų | 92 | 57 Ų | 57 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.5 | -38.1 | 175.5 | -69.2 | 177.2 | -168.8 | 0 | 0 | 111.7 | W915 K951 E952 E958 F959 | W915-E955 HydrophobicContact CZ3-CB 4.21Å; K951-E955 WeakPolarHBondContact CE-OE1 3.35Å; K951-E955 IonicContact NZ-OE1 3.96Å; K951-E955 PolarHBondContact O-N 3.35Å; E952-E955 PolarHBondContact O-N 3.28Å; E955-E958 PolarHBondContact O-N 2.99Å; E955-F959 WeakPolarHBondContact O-CB 3.28Å; E955-F959 PolarHBondContact O-N 3.4Å |
| 956 | R | 84 | Confident | 83.9 | Confident | 44 Ų | 44 | 58 Ų | 58 | 17% | 0.166 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.6 | -32.1 | 175.3 | -167.6 | 169.1 | -166.1 | 164.3 | 6 | 113.1 | W915 E952 M954 L960 | W915-R956 VanDerWaalsContact CD1-NH2 3.34Å; W915-R956 HydrophobicContact CD2-CB 4.1Å; W915-R956 HydrophobicContact CD2-CG 3.83Å; W915-R956 HydrophobicContact CE3-CB 3.86Å; W915-R956 HydrophobicContact CE3-CG 4.13Å; W915-R956 HydrophobicContact CG-CG 4.43Å; W915-R956 VanDerWaalsContact CG-CZ 3.4Å; W915-R956 VanDerWaalsContact CH2-CA 3.44Å; W915-R956 HydrophobicContact CH2-CB 3.83Å; W915-R956 HydrophobicContact CH2-CG 4.19Å; W915-R956 HydrophobicContact CZ2-CB 4.07Å; W915-R956 HydrophobicContact CZ2-CG 3.9Å; W915-R956 HydrophobicContact CZ3-CB 3.7Å; W915-R956 HydrophobicContact CZ3-CG 4.28Å; E952-R956 WeakPolarHBondContact O-CB 3.29Å; E952-R956 PolarHBondContact O-N 2.99Å; M954-R956 PolarHBondContact O-N 3.27Å; R956-L960 HydrophobicContact CG-CD1 4.44Å; R956-L960 WeakPolarHBondContact O-CD1 3.48Å; R956-L960 VanDerWaalsContact O-CG 3.32Å; R956-L960 WeakPolarHBondContact O-CG 3.4Å; R956-L960 PolarHBondContact O-N 3.33Å |
| 957 | R | 84.4 | Confident | 83.8 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 21% | 0.208 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.1 | -49.2 | 173.3 | -169.7 | -155.5 | -173.9 | 176.1 | 7.5 | 111.1 | F924 W953 M954 F959 L960 L961 L986 D989 | F924-R957 HydrophobicContact CE1-CB 4.12Å; F924-R957 HydrophobicContact CE2-CG 4.37Å; F924-R957 HydrophobicContact CZ-CB 3.84Å; F924-R957 HydrophobicContact CZ-CG 3.76Å; W953-R957 PolarHBondContact O-N 2.88Å; M954-R957 WeakPolarHBondContact O-CA 3.27Å; M954-R957 VanDerWaalsContact O-CB 3.27Å; M954-R957 WeakPolarHBondContact O-CB 3.31Å; M954-R957 PolarHBondContact O-N 3.26Å; R957-F959 VanDerWaalsContact C-N 3.31Å; R957-F959 PolarHBondContact O-N 3.46Å; R957-L960 PolarHBondContact O-N 3.48Å; R957-L961 HydrophobicContact CG-CD1 4.13Å; R957-L961 WeakPolarHBondContact O-CG 3.4Å; R957-L961 PolarHBondContact O-N 3.46Å; R957-L986 HydrophobicContact CG-CB 4.39Å; R957-L986 PolarHBondContact NE-O 2.93Å; R957-L986 PolarHBondContact NH2-O 3.36Å; R957-D989 IonicContact CZ-OD2 3.86Å; R957-D989 IonicContact NH1-OD2 2.67Å; R957-D989 VanDerWaalsContact NH2-CG 3.31Å; R957-D989 IonicContact NH2-OD2 2.74Å; R957-D989 PolarHBondContact NH2-OD2 3.29Å |
| 958 | E | 82.1 | Confident | 83.9 | Confident | 122 Ų | 122 | 53.2 Ų | 53.2 | 57% | 0.57 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60 | -41.5 | 178.4 | -70 | 173.5 | -172.8 | 0 | 0 | 111.6 | M954 E955 L960 L961 M962 | M954-E958 PolarHBondContact O-N 3.49Å; E955-E958 PolarHBondContact O-N 2.99Å; E958-L960 PolarHBondContact O-N 2.92Å; E958-L961 PolarHBondContact O-N 3.29Å; E958-M962 PolarHBondContact O-N 2.81Å |
| 959 | F | 79.8 | Confident | 83.8 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -47.1 | 172.5 | 175.9 | -120.3 | 0 | 0 | 0 | 113.2 | Y662 W915 E955 R957 M962 K963 | Y662-F959 AromaticContact CD1-CD2 3.87Å; Y662-F959 HydrophobicContact CD1-CD2 3.87Å; Y662-F959 HydrophobicContact CD1-CE2 4.05Å; Y662-F959 AromaticContact CE1-CD2 3.7Å; Y662-F959 HydrophobicContact CE1-CD2 3.7Å; Y662-F959 HydrophobicContact CE1-CE2 4.11Å; W915-F959 HydrophobicContact CH2-CB 4.17Å; W915-F959 HydrophobicContact CH2-CD1 4.49Å; W915-F959 HydrophobicContact CH2-CG 4.48Å; W915-F959 HydrophobicContact CZ2-CB 4.05Å; W915-F959 AromaticContact CZ2-CD1 3.56Å; W915-F959 HydrophobicContact CZ2-CD1 3.56Å; W915-F959 HydrophobicContact CZ2-CE1 4.12Å; W915-F959 AromaticContact CZ2-CG 3.93Å; W915-F959 HydrophobicContact CZ2-CG 3.93Å; E955-F959 WeakPolarHBondContact O-CB 3.28Å; E955-F959 PolarHBondContact O-N 3.4Å; R957-F959 VanDerWaalsContact C-N 3.31Å; R957-F959 PolarHBondContact O-N 3.46Å; F959-M962 PolarHBondContact O-N 2.98Å; F959-K963 HydrophobicContact CE1-CD 3.97Å; F959-K963 HydrophobicContact CE2-CD 4.15Å; F959-K963 HydrophobicContact CE2-CG 4.38Å; F959-K963 HydrophobicContact CZ-CD 3.81Å; F959-K963 PolarHBondContact O-N 3.22Å |
| 960 | L | 82.9 | Confident | 83.7 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.2 | -34.4 | -179.9 | -71 | 165.8 | 0 | 0 | 0 | 112.3 | F906 R956 R957 E958 K963 L964 Y983 L986 L987 | F906-L960 HydrophobicContact CB-CD2 3.96Å; F906-L960 HydrophobicContact CD1-CD2 3.7Å; F906-L960 HydrophobicContact CG-CD2 4.22Å; R956-L960 HydrophobicContact CG-CD1 4.44Å; R956-L960 WeakPolarHBondContact O-CD1 3.48Å; R956-L960 VanDerWaalsContact O-CG 3.32Å; R956-L960 WeakPolarHBondContact O-CG 3.4Å; R956-L960 PolarHBondContact O-N 3.33Å; R957-L960 PolarHBondContact O-N 3.48Å; E958-L960 PolarHBondContact O-N 2.92Å; L960-K963 PolarHBondContact O-N 2.78Å; L960-L964 WeakPolarHBondContact O-CB 3.34Å; L960-L964 PolarHBondContact O-N 2.83Å; L960-Y983 HydrophobicContact CD1-CD1 3.92Å; L960-Y983 HydrophobicContact CD1-CE1 4.36Å; L960-Y983 HydrophobicContact CD2-CD1 4.01Å; L960-Y983 HydrophobicContact CD2-CE1 4.09Å; L960-L986 HydrophobicContact CD1-CD1 3.49Å; L960-L986 VanDerWaalsContact CD1-CD1 3.49Å; L960-L987 HydrophobicContact CB-CD2 4.43Å |
| 961 | L | 82.5 | Confident | 83.7 | Confident | 54 Ų | 54 | 55 Ų | 55 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 171.2 | -74.7 | 164.7 | 0 | 0 | 0 | 111.6 | R957 E958 L964 A965 L987 I990 | R957-L961 HydrophobicContact CG-CD1 4.13Å; R957-L961 WeakPolarHBondContact O-CG 3.4Å; R957-L961 PolarHBondContact O-N 3.46Å; E958-L961 PolarHBondContact O-N 3.29Å; L961-L964 WeakPolarHBondContact O-CB 3.31Å; L961-L964 PolarHBondContact O-N 3.36Å; L961-A965 WeakPolarHBondContact O-CB 3.44Å; L961-A965 PolarHBondContact O-N 3.47Å; L961-L987 HydrophobicContact CD2-CD2 3.59Å; L961-L987 HydrophobicContact CG-CD2 3.88Å; L961-I990 HydrophobicContact CD2-CD1 3.81Å; L961-I990 HydrophobicContact CD2-CG1 4.03Å |
| 962 | M | 78.8 | Confident | 83.8 | Confident | 89 Ų | 89 | 49 Ų | 49 | 44% | 0.438 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.6 | -36.2 | 177.9 | -172.7 | 151 | 52.2 | 0 | 0 | 112.4 | Y662 E958 F959 A965 K966 | Y662-M962 HydrophobicContact CD1-CE 3.56Å; Y662-M962 HydrophobicContact CD2-CE 4.29Å; Y662-M962 HydrophobicContact CE1-CE 3.88Å; Y662-M962 HydrophobicContact CG-CE 3.77Å; E958-M962 PolarHBondContact O-N 2.81Å; F959-M962 PolarHBondContact O-N 2.98Å; M962-A965 PolarHBondContact O-N 3.03Å; M962-K966 PolarHBondContact O-N 3.1Å |
| 963 | K | 82.8 | Confident | 83.7 | Confident | 30 Ų | 30 | 48.3 Ų | 48.3 | 13% | 0.13 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 169.2 | -81.8 | -172.7 | 156.8 | -165.3 | 0 | 112.5 | F906 S908 D911 F959 L960 A965 K966 A967 | F906-K963 HydrophobicContact CD1-CB 4.48Å; S908-K963 PolarHBondContact OG-NZ 3.06Å; D911-K963 IonicContact OD1-NZ 3.22Å; D911-K963 PolarHBondContact OD1-NZ 3.42Å; D911-K963 IonicContact OD2-NZ 3.68Å; D911-K963 PolarHBondContact OD2-NZ 2.8Å; F959-K963 HydrophobicContact CE1-CD 3.97Å; F959-K963 HydrophobicContact CE2-CD 4.15Å; F959-K963 HydrophobicContact CE2-CG 4.38Å; F959-K963 HydrophobicContact CZ-CD 3.81Å; F959-K963 PolarHBondContact O-N 3.22Å; L960-K963 PolarHBondContact O-N 2.78Å; K963-A965 VanDerWaalsContact C-N 3.31Å; K963-A965 PolarHBondContact O-N 3.14Å; K963-K966 PolarHBondContact O-N 2.8Å; K963-A967 WeakPolarHBondContact O-CB 3.46Å; K963-A967 PolarHBondContact O-N 2.98Å |
| 964 | L | 84.1 | Confident | 83.4 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.2 | -42.7 | 173.5 | 178 | 70.9 | 0 | 0 | 0 | 111.1 | F906 L960 L961 A967 R968 I973 F980 L987 I990 | F906-L964 HydrophobicContact CE1-CB 4.14Å; F906-L964 HydrophobicContact CZ-CB 4.39Å; F906-L964 HydrophobicContact CZ-CD1 4.04Å; L960-L964 WeakPolarHBondContact O-CB 3.34Å; L960-L964 PolarHBondContact O-N 2.83Å; L961-L964 WeakPolarHBondContact O-CB 3.31Å; L961-L964 PolarHBondContact O-N 3.36Å; L964-A967 PolarHBondContact O-N 3.48Å; L964-R968 HydrophobicContact CD1-CG 4.42Å; L964-R968 WeakPolarHBondContact O-CB 3.46Å; L964-R968 WeakPolarHBondContact O-CG 3.46Å; L964-R968 PolarHBondContact O-N 3.48Å; L964-I973 HydrophobicContact CD1-CD1 3.63Å; L964-F980 HydrophobicContact CD1-CE1 4.08Å; L964-F980 HydrophobicContact CD1-CE2 3.84Å; L964-F980 HydrophobicContact CD1-CZ 3.5Å; L964-F980 HydrophobicContact CD2-CE2 4.48Å; L964-L987 HydrophobicContact CD2-CD1 4.34Å; L964-L987 HydrophobicContact CD2-CD2 4.18Å; L964-I990 HydrophobicContact CD2-CD1 3.4Å; L964-I990 VanDerWaalsContact CD2-CD1 3.4Å |
| 965 | A | 82.6 | Confident | 83 | Confident | 57 Ų | 57 | 49.2 Ų | 49.2 | 47% | 0.471 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.5 | -46.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L961 M962 K963 R968 K969 | L961-A965 WeakPolarHBondContact O-CB 3.44Å; L961-A965 PolarHBondContact O-N 3.47Å; M962-A965 PolarHBondContact O-N 3.03Å; K963-A965 VanDerWaalsContact C-N 3.31Å; K963-A965 PolarHBondContact O-N 3.14Å; A965-R968 PolarHBondContact O-N 3.25Å; A965-K969 WeakPolarHBondContact O-CB 2.98Å; A965-K969 PolarHBondContact O-N 3.2Å |
| 966 | K | 82.4 | Confident | 82.7 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 173.8 | -168.7 | -173.7 | -172.1 | -174.1 | 0 | 110.9 | E659 G663 M962 K963 R968 K969 D970 | E659-K966 IonicContact OE1-NZ 3.77Å; E659-K966 PolarHBondContact OE1-NZ 2.91Å; E659-K966 IonicContact OE2-NZ 3.43Å; G663-K966 VanDerWaalsContact CA-NZ 3.33Å; M962-K966 PolarHBondContact O-N 3.1Å; K963-K966 PolarHBondContact O-N 2.8Å; K966-R968 VanDerWaalsContact C-N 3.31Å; K966-R968 PolarHBondContact O-N 3.35Å; K966-K969 WeakPolarHBondContact O-CB 3.04Å; K966-K969 PolarHBondContact O-N 3.44Å; K966-K969 VanDerWaalsContact O-N 3.15Å; K966-D970 PolarHBondContact O-N 3.46Å |
| 967 | A | 84.7 | Confident | 82.6 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65 | -31.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V905 K963 L964 H971 L972 I973 | V905-A967 HydrophobicContact CG1-CB 3.65Å; K963-A967 WeakPolarHBondContact O-CB 3.46Å; K963-A967 PolarHBondContact O-N 2.98Å; L964-A967 PolarHBondContact O-N 3.48Å; A967-H971 PolarHBondContact O-N 3.14Å; A967-L972 HydrophobicContact CB-CB 4.34Å; A967-L972 WeakPolarHBondContact O-CB 3.45Å; A967-L972 PolarHBondContact O-N 3.02Å; A967-I973 HydrophobicContact CB-CD1 3.6Å; A967-I973 HydrophobicContact CB-CG1 4Å |
| 968 | R | 85.3 | Confident | 82.2 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.6 | -45.4 | 169.2 | -76.4 | -179.8 | 169.2 | 176 | -3.2 | 111.6 | L964 A965 K966 D970 H971 I973 D977 N978 | L964-R968 HydrophobicContact CD1-CG 4.42Å; L964-R968 WeakPolarHBondContact O-CB 3.46Å; L964-R968 WeakPolarHBondContact O-CG 3.46Å; L964-R968 PolarHBondContact O-N 3.48Å; A965-R968 PolarHBondContact O-N 3.25Å; K966-R968 VanDerWaalsContact C-N 3.31Å; K966-R968 PolarHBondContact O-N 3.35Å; R968-D970 VanDerWaalsContact C-N 3.27Å; R968-D970 PolarHBondContact O-N 3.01Å; R968-H971 PolarHBondContact O-CD2 2.92Å; R968-H971 PolarHBondContact O-N 3.04Å; R968-H971 VanDerWaalsContact O-N 3.09Å; R968-I973 HydrophobicContact CG-CB 4.45Å; R968-D977 PolarHBondContact NH2-O 2.73Å; R968-N978 PolarHBondContact NH2-OD1 3.18Å |
| 969 | K | 84.1 | Confident | 82.1 | Confident | 110 Ų | 110 | 52.2 Ų | 52.2 | 48% | 0.478 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57 | -38.2 | 175.9 | -166.3 | -169.2 | -173 | -167.8 | 0 | 112.6 | K600 E667 A965 K966 H971 | K600-K969 VanDerWaalsContact CD-O 3.3Å; K600-K969 WeakPolarHBondContact CD-O 3.36Å; E667-K969 WeakPolarHBondContact OE1-CE 3.23Å; E667-K969 IonicContact OE1-NZ 3.41Å; E667-K969 PolarHBondContact OE1-NZ 3.38Å; A965-K969 WeakPolarHBondContact O-CB 2.98Å; A965-K969 PolarHBondContact O-N 3.2Å; K966-K969 WeakPolarHBondContact O-CB 3.04Å; K966-K969 PolarHBondContact O-N 3.44Å; K966-K969 VanDerWaalsContact O-N 3.15Å; K969-H971 VanDerWaalsContact C-N 3.32Å |
| 970 | D | 83.3 | Confident | 82.2 | Confident | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 7.9 | -179.5 | -67 | -20.8 | 0 | 0 | 0 | 113.9 | K600 K966 R968 L972 | K600-D970 IonicContact NZ-OD1 3.93Å; K600-D970 PolarHBondContact NZ-OD1 3.36Å; K966-D970 PolarHBondContact O-N 3.46Å; R968-D970 VanDerWaalsContact C-N 3.27Å; R968-D970 PolarHBondContact O-N 3.01Å; D970-L972 HydrophobicContact CB-CD1 3.92Å; D970-L972 HydrophobicContact CB-CG 3.94Å; D970-L972 PolarHBondContact O-N 3.44Å |
| 971 | H | 87.3 | Confident | 82 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 42% | 0.421 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 33.6 | -177.3 | -63.4 | 152.4 | 0 | 0 | 0 | 114.4 | K600 P601 W892 A967 R968 K969 | K600-H971 PolarHBondContact O-ND1 3.38Å; P601-H971 HydrophobicContact CB-CB 4.44Å; W892-H971 WeakPolarHBondContact CZ2-O 3.29Å; W892-H971 PolarHBondContact NE1-O 2.92Å; A967-H971 PolarHBondContact O-N 3.14Å; R968-H971 PolarHBondContact O-CD2 2.92Å; R968-H971 PolarHBondContact O-N 3.04Å; R968-H971 VanDerWaalsContact O-N 3.09Å; K969-H971 VanDerWaalsContact C-N 3.32Å |
| 972 | L | 86.3 | Confident | 81.7 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | trans | -88.8 | -0.8 | 175.6 | -59.8 | 171.7 | 0 | 0 | 0 | 113 | W880 L881 W892 I896 H901 A967 D970 | W880-L972 HydrophobicContact CZ2-CD1 3.85Å; L881-L972 HydrophobicContact CD1-CD1 3.79Å; L881-L972 HydrophobicContact CG-CD1 4.2Å; W892-L972 HydrophobicContact CH2-CD2 3.96Å; W892-L972 HydrophobicContact CZ2-CD2 4.09Å; I896-L972 WeakPolarHBondContact CB-O 3.33Å; H901-L972 PolarHBondContact NE2-O 2.92Å; A967-L972 HydrophobicContact CB-CB 4.34Å; A967-L972 WeakPolarHBondContact O-CB 3.45Å; A967-L972 PolarHBondContact O-N 3.02Å; D970-L972 HydrophobicContact CB-CD1 3.92Å; D970-L972 HydrophobicContact CB-CG 3.94Å; D970-L972 PolarHBondContact O-N 3.44Å | ||
| 973 | I | 86.1 | Confident | 81.7 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -135.1 | 136.7 | 174.6 | -66 | 174.3 | 0 | 0 | 0 | 106.7 | V905 F906 L964 A967 R968 D977 F980 | V905-I973 HydrophobicContact CG1-CD1 4.34Å; F906-I973 HydrophobicContact CZ-CD1 4.38Å; L964-I973 HydrophobicContact CD1-CD1 3.63Å; A967-I973 HydrophobicContact CB-CD1 3.6Å; A967-I973 HydrophobicContact CB-CG1 4Å; R968-I973 HydrophobicContact CG-CB 4.45Å; I973-D977 HydrophobicContact CG2-CB 4.04Å; I973-F980 HydrophobicContact CD1-CE1 4.08Å; I973-F980 HydrophobicContact CG2-CE1 3.93Å; I973-F980 HydrophobicContact CG2-CZ 4.24Å |
| 974 | A | 81.4 | Confident | 81.6 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | trans | -66.7 | 138.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I896 T897 N976 D977 | I896-A974 HydrophobicContact CD1-CB 4.04Å; I896-A974 HydrophobicContact CG1-CB 4.34Å; T897-A974 HydrophobicContact CG2-CB 4.16Å; A974-N976 VanDerWaalsContact C-N 3.26Å; A974-N976 PolarHBondContact O-N 3.46Å; A974-N976 VanDerWaalsContact O-N 3.1Å; A974-D977 HydrophobicContact CB-CB 4.19Å; A974-D977 WeakPolarHBondContact O-CB 3.32Å; A974-D977 PolarHBondContact O-N 2.87Å | ||
| 975 | P | 76.2 | Confident | 81.2 | Confident | 99 Ų | 99 | 55.2 Ų | 55.2 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -34.6 | -170.3 | -29.9 | 36.1 | 0 | 0 | 0 | 115.4 | D977 | P975-D977 VanDerWaalsContact C-N 3.33Š|
| 976 | N | 76.8 | Confident | 80.8 | Confident | 153 Ų | 153 | 52.5 Ų | 52.5 | 82% | 0.818 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -1.2 | -178.9 | -61.3 | -11.7 | 0 | 0 | 0 | 113.2 | A974 N978 | A974-N976 VanDerWaalsContact C-N 3.26Å; A974-N976 PolarHBondContact O-N 3.46Å; A974-N976 VanDerWaalsContact O-N 3.1Å; N976-N978 PolarHBondContact O-ND2 3.48Å |
| 977 | D | 79.9 | Confident | 80.5 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | trans | -82.8 | 120.2 | -176.2 | -156.7 | -22.4 | 0 | 0 | 0 | 110.7 | K902 R968 I973 A974 P975 D979 F980 | K902-D977 WeakPolarHBondContact CE-OD2 3.4Å; K902-D977 IonicContact NZ-OD1 3.58Å; K902-D977 PolarHBondContact NZ-OD1 2.85Å; K902-D977 IonicContact NZ-OD2 2.83Å; K902-D977 PolarHBondContact NZ-OD2 3.4Å; R968-D977 PolarHBondContact NH2-O 2.73Å; I973-D977 HydrophobicContact CG2-CB 4.04Å; A974-D977 HydrophobicContact CB-CB 4.19Å; A974-D977 WeakPolarHBondContact O-CB 3.32Å; A974-D977 PolarHBondContact O-N 2.87Å; P975-D977 VanDerWaalsContact C-N 3.33Å; D977-D979 PolarHBondContact OD1-N 3.35Å; D977-F980 VanDerWaalsContact O-CZ 3.31Å; D977-F980 WeakPolarHBondContact O-CZ 3.3Å | ||
| 978 | N | 77.8 | Confident | 79.6 | Confident | 100 Ų | 100 | 57.7 Ų | 57.7 | 54% | 0.535 | 30% | 0.297 | S | S | . | . | trans | -132 | 9 | -179.3 | -66.2 | -71.8 | 0 | 0 | 0 | 112 | R968 N976 | R968-N978 PolarHBondContact NH2-OD1 3.18Å; N976-N978 PolarHBondContact O-ND2 3.48Å | ||
| 979 | D | 79.8 | Confident | 78.2 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 53% | 0.529 | 32% | 0.315 | S | S | . | . | trans | -108.8 | 109.3 | 172.4 | -166.9 | 14.3 | 0 | 0 | 0 | 111.8 | K902 D977 G981 S984 | K902-D979 PolarHBondContact NZ-O 2.83Å; D977-D979 PolarHBondContact OD1-N 3.35Å; D979-G981 PolarHBondContact OD1-N 2.84Å; D979-S984 PolarHBondContact OD1-OG 2.67Å | ||
| 980 | F | 81.1 | Confident | 76.6 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | trans | -112 | 23.8 | 177.7 | -47.9 | -65.4 | 0 | 0 | 0 | 110.7 | K902 F906 L964 I973 D977 K982 Y983 S984 L987 | K902-F980 HydrophobicContact CD-CD1 4.5Å; F906-F980 HydrophobicContact CD2-CB 4.49Å; F906-F980 HydrophobicContact CE2-CB 3.88Å; F906-F980 AromaticContact CE2-CD1 3.62Å; F906-F980 HydrophobicContact CE2-CD1 3.62Å; F906-F980 HydrophobicContact CE2-CE1 4.39Å; F906-F980 AromaticContact CE2-CG 3.82Å; F906-F980 HydrophobicContact CE2-CG 3.82Å; F906-F980 HydrophobicContact CZ-CD1 4.04Å; F906-F980 HydrophobicContact CZ-CE1 4.47Å; F906-F980 HydrophobicContact CZ-CG 4.13Å; L964-F980 HydrophobicContact CD1-CE1 4.08Å; L964-F980 HydrophobicContact CD1-CE2 3.84Å; L964-F980 HydrophobicContact CD1-CZ 3.5Å; L964-F980 HydrophobicContact CD2-CE2 4.48Å; I973-F980 HydrophobicContact CD1-CE1 4.08Å; I973-F980 HydrophobicContact CG2-CE1 3.93Å; I973-F980 HydrophobicContact CG2-CZ 4.24Å; D977-F980 VanDerWaalsContact O-CZ 3.31Å; D977-F980 WeakPolarHBondContact O-CZ 3.3Å; F980-K982 PolarHBondContact O-N 2.81Å; F980-Y983 WeakPolarHBondContact O-CD2 3.47Å; F980-Y983 PolarHBondContact O-N 3.03Å; F980-S984 WeakPolarHBondContact CA-OG 3.43Å; F980-S984 PolarHBondContact N-OG 3.45Å; F980-L987 HydrophobicContact CB-CD1 4.36Å; F980-L987 HydrophobicContact CD2-CD1 3.5Å; F980-L987 VanDerWaalsContact CD2-CD1 3.5Å; F980-L987 HydrophobicContact CE2-CD1 4.1Å; F980-L987 HydrophobicContact CG-CD1 4.12Å | ||
| 981 | G | 79.6 | Confident | 74.1 | Confident | 50 Ų | 50 | 70.7 Ų | 70.7 | 52% | 0.515 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | 54.8 | -116.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D979 Y983 S984 | D979-G981 PolarHBondContact OD1-N 2.84Å; G981-Y983 PolarHBondContact O-N 2.96Å; G981-Y983 VanDerWaalsContact O-N 3.09Å; G981-S984 PolarHBondContact N-OG 3.28Å; G981-S984 WeakPolarHBondContact O-CB 3.29Å; G981-S984 PolarHBondContact O-N 2.92Å; G981-S984 PolarHBondContact O-OG 2.95Å; G981-S984 VanDerWaalsContact O-OG 3.12Å |
| 982 | K | 74.6 | Confident | 73.4 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 47% | 0.47 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -59.8 | -19.2 | 178.8 | 73.4 | -166.8 | 179.6 | -155 | 0 | 114.4 | E903 F980 F985 | E903-K982 IonicContact OE1-NZ 3.58Å; F980-K982 PolarHBondContact O-N 2.81Å; K982-F985 WeakPolarHBondContact O-CD1 3.3Å; K982-F985 WeakPolarHBondContact O-CE1 3.37Å |
| 983 | Y | 79.7 | Confident | 72.7 | Confident | 17 Ų | 17 | 73.1 Ų | 73.1 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -90.3 | -16 | 176.9 | -55.6 | -79.9 | 0 | 0 | 0 | 113.2 | F906 F919 L960 F980 G981 F985 L986 | F906-Y983 HydrophobicContact CB-CD1 4.11Å; F906-Y983 HydrophobicContact CB-CD2 3.87Å; F906-Y983 HydrophobicContact CB-CE1 3.82Å; F906-Y983 HydrophobicContact CB-CE2 3.59Å; F906-Y983 HydrophobicContact CB-CG 4.13Å; F906-Y983 AromaticContact CD2-CD2 3.89Å; F906-Y983 HydrophobicContact CD2-CD2 3.89Å; F906-Y983 HydrophobicContact CD2-CE2 4.31Å; F906-Y983 HydrophobicContact CD2-CG 4.27Å; F906-Y983 HydrophobicContact CG-CD1 4.5Å; F906-Y983 HydrophobicContact CG-CD2 4.09Å; F906-Y983 HydrophobicContact CG-CE2 4.3Å; F906-Y983 HydrophobicContact CG-CG 4.2Å; F906-Y983 PolarHBondContact O-OH 3.47Å; F919-Y983 HydrophobicContact CE2-CD1 4.13Å; F919-Y983 AromaticContact CE2-CE1 3.94Å; F919-Y983 HydrophobicContact CE2-CE1 3.94Å; F919-Y983 AromaticContact CZ-CD1 3.79Å; F919-Y983 HydrophobicContact CZ-CD1 3.79Å; F919-Y983 AromaticContact CZ-CE1 3.94Å; F919-Y983 HydrophobicContact CZ-CE1 3.94Å; L960-Y983 HydrophobicContact CD1-CD1 3.92Å; L960-Y983 HydrophobicContact CD1-CE1 4.36Å; L960-Y983 HydrophobicContact CD2-CD1 4.01Å; L960-Y983 HydrophobicContact CD2-CE1 4.09Å; F980-Y983 WeakPolarHBondContact O-CD2 3.47Å; F980-Y983 PolarHBondContact O-N 3.03Å; G981-Y983 PolarHBondContact O-N 2.96Å; G981-Y983 VanDerWaalsContact O-N 3.09Å; Y983-F985 VanDerWaalsContact C-N 3.3Å; Y983-F985 PolarHBondContact O-N 3.46Å; Y983-L986 WeakPolarHBondContact O-CB 3.38Å; Y983-L986 PolarHBondContact O-N 3.23Å; Y983-L986 VanDerWaalsContact O-N 3.1Å |
| 984 | S | 80.1 | Confident | 72 | Confident | 10 Ų | 10 | 76.8 Ų | 76.8 | 7% | 0.07 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.3 | -39.4 | -171.5 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | D979 F980 G981 L986 L987 K988 | D979-S984 PolarHBondContact OD1-OG 2.67Å; F980-S984 WeakPolarHBondContact CA-OG 3.43Å; F980-S984 PolarHBondContact N-OG 3.45Å; G981-S984 PolarHBondContact N-OG 3.28Å; G981-S984 WeakPolarHBondContact O-CB 3.29Å; G981-S984 PolarHBondContact O-N 2.92Å; G981-S984 PolarHBondContact O-OG 2.95Å; G981-S984 VanDerWaalsContact O-OG 3.12Å; S984-L986 VanDerWaalsContact C-N 3.31Å; S984-L986 PolarHBondContact O-N 3.27Å; S984-L987 PolarHBondContact O-N 2.83Å; S984-K988 WeakPolarHBondContact O-CG 3.2Å; S984-K988 PolarHBondContact O-N 3.33Å; S984-K988 VanDerWaalsContact O-N 3.12Å |
| 985 | F | 76.4 | Confident | 71.4 | Confident | 65 Ų | 65 | 80.7 Ų | 80.7 | 29% | 0.285 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.2 | -25.7 | -177.6 | 80.4 | -86 | 0 | 0 | 0 | 113.8 | F919 P920 K982 Y983 L987 | F919-F985 AromaticContact CE1-CE1 3.96Å; F919-F985 HydrophobicContact CE1-CE1 3.96Å; F919-F985 HydrophobicContact CE1-CZ 4.26Å; P920-F985 HydrophobicContact CB-CE2 4.14Å; P920-F985 HydrophobicContact CB-CZ 3.98Å; P920-F985 WeakPolarHBondContact O-CZ 3.35Å; K982-F985 WeakPolarHBondContact O-CD1 3.3Å; K982-F985 WeakPolarHBondContact O-CE1 3.37Å; Y983-F985 VanDerWaalsContact C-N 3.3Å; Y983-F985 PolarHBondContact O-N 3.46Å; F985-L987 VanDerWaalsContact C-N 3.28Å |
| 986 | L | 74.1 | Confident | 71.1 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -72.5 | -27 | 175.5 | -61.3 | 169.2 | 0 | 0 | 0 | 111.8 | F919 P920 F924 R957 L960 Y983 S984 | F919-L986 HydrophobicContact CE1-CD1 4.46Å; F919-L986 HydrophobicContact CE2-CD1 4.07Å; F919-L986 HydrophobicContact CZ-CD1 3.67Å; P920-L986 HydrophobicContact CB-CD2 4.06Å; P920-L986 HydrophobicContact CG-CD2 3.99Å; F924-L986 HydrophobicContact CE1-CD2 4.32Å; F924-L986 HydrophobicContact CE2-CD2 4.4Å; F924-L986 HydrophobicContact CZ-CD2 3.58Å; R957-L986 HydrophobicContact CG-CB 4.39Å; R957-L986 PolarHBondContact NE-O 2.93Å; R957-L986 PolarHBondContact NH2-O 3.36Å; L960-L986 HydrophobicContact CD1-CD1 3.49Å; L960-L986 VanDerWaalsContact CD1-CD1 3.49Å; Y983-L986 WeakPolarHBondContact O-CB 3.38Å; Y983-L986 PolarHBondContact O-N 3.23Å; Y983-L986 VanDerWaalsContact O-N 3.1Å; S984-L986 VanDerWaalsContact C-N 3.31Å; S984-L986 PolarHBondContact O-N 3.27Å |
| 987 | L | 75.8 | Confident | 70.8 | Confident | 10 Ų | 10 | 74.7 Ų | 74.7 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -105.4 | 0.2 | -170.2 | -55.8 | 171.3 | 0 | 0 | 0 | 112.7 | F906 L960 L961 L964 F980 S984 F985 D989 I990 | F906-L987 HydrophobicContact CE1-CD1 4.36Å; F906-L987 HydrophobicContact CZ-CD1 4.2Å; L960-L987 HydrophobicContact CB-CD2 4.43Å; L961-L987 HydrophobicContact CD2-CD2 3.59Å; L961-L987 HydrophobicContact CG-CD2 3.88Å; L964-L987 HydrophobicContact CD2-CD1 4.34Å; L964-L987 HydrophobicContact CD2-CD2 4.18Å; F980-L987 HydrophobicContact CB-CD1 4.36Å; F980-L987 HydrophobicContact CD2-CD1 3.5Å; F980-L987 VanDerWaalsContact CD2-CD1 3.5Å; F980-L987 HydrophobicContact CE2-CD1 4.1Å; F980-L987 HydrophobicContact CG-CD1 4.12Å; S984-L987 PolarHBondContact O-N 2.83Å; F985-L987 VanDerWaalsContact C-N 3.28Å; L987-D989 VanDerWaalsContact C-N 3.34Å; L987-D989 PolarHBondContact O-N 2.86Å; L987-I990 HydrophobicContact CB-CD1 4.34Å; L987-I990 WeakPolarHBondContact O-CD1 3.13Å; L987-I990 VanDerWaalsContact O-CG1 3.29Å; L987-I990 WeakPolarHBondContact O-CG1 3.21Å; L987-I990 PolarHBondContact O-N 3.23Å |
| 988 | K | 64.8 | Low | 70.1 | Confident | 155 Ų | 155 | 78.4 Ų | 78.4 | 67% | 0.674 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -16.4 | -172.8 | -100.9 | 176.2 | -169.1 | -178.9 | 0 | 116.4 | S984 I990 | S984-K988 WeakPolarHBondContact O-CG 3.2Å; S984-K988 PolarHBondContact O-N 3.33Å; S984-K988 VanDerWaalsContact O-N 3.12Å; K988-I990 VanDerWaalsContact C-N 3.26Å; K988-I990 PolarHBondContact O-N 3.43Å |
| 989 | D | 56.3 | Low | 69.5 | Low | 119 Ų | 119 | 76.7 Ų | 76.7 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 5.8 | -179.9 | -58.1 | -21.8 | 0 | 0 | 0 | 113.1 | R957 L987 K991 | R957-D989 IonicContact CZ-OD2 3.86Å; R957-D989 IonicContact NH1-OD2 2.67Å; R957-D989 VanDerWaalsContact NH2-CG 3.31Å; R957-D989 IonicContact NH2-OD2 2.74Å; R957-D989 PolarHBondContact NH2-OD2 3.29Å; L987-D989 VanDerWaalsContact C-N 3.34Å; L987-D989 PolarHBondContact O-N 2.86Å; D989-K991 PolarHBondContact O-N 3.13Å; D989-K991 VanDerWaalsContact O-N 3.1Å |
| 990 | I | 50.4 | Low | 68.7 | Low | 80 Ų | 80 | 74.8 Ų | 74.8 | 41% | 0.41 | 37% | 0.368 | S | S | . | . | trans | -73.8 | 100.4 | 172.8 | -56.4 | 167.1 | 0 | 0 | 0 | 108.2 | L961 L964 L987 K988 | L961-I990 HydrophobicContact CD2-CD1 3.81Å; L961-I990 HydrophobicContact CD2-CG1 4.03Å; L964-I990 HydrophobicContact CD2-CD1 3.4Å; L964-I990 VanDerWaalsContact CD2-CD1 3.4Å; L987-I990 HydrophobicContact CB-CD1 4.34Å; L987-I990 WeakPolarHBondContact O-CD1 3.13Å; L987-I990 VanDerWaalsContact O-CG1 3.29Å; L987-I990 WeakPolarHBondContact O-CG1 3.21Å; L987-I990 PolarHBondContact O-N 3.23Å; K988-I990 VanDerWaalsContact C-N 3.26Å; K988-I990 PolarHBondContact O-N 3.43Å | ||
| 991 | K | 30.9 | Very low | 67.5 | Low | 272 Ų | 272 | 80.5 Ų | 80.5 | 100% | 1.183 | 40% | 0.397 | S | S | * | . | trans | -114.5 | 0 | 166.9 | -79 | -170.4 | 172.2 | -173.9 | 0 | 110.1 | D989 | D989-K991 PolarHBondContact O-N 3.13Å; D989-K991 VanDerWaalsContact O-N 3.1Å |
Retrieved 991 of 991 residues in 1155.8 ms
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