| 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 | 60.8 | Low | 85.2 | Confident | 204 Ų | 204 | 128.9 Ų | 128.9 | 100% | 1.005 | 59% | 0.589 | S | S | * | * | 0 | -39.2 | 0 | -80.9 | -82 | -155.9 | 0 | 0 | 112.8 | |||||
| 2 | D | 79.6 | Confident | 85.8 | Confident | 128 Ų | 128 | 125.3 Ų | 125.3 | 68% | 0.684 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.8 | -36.6 | -175.4 | -85.5 | -24.3 | 0 | 0 | 0 | 116.7 | M4 K5 K6 | D2-M4 VanDerWaalsContact C-N 3.26Å; D2-M4 PolarHBondContact O-N 2.99Å; D2-K5 PolarHBondContact O-N 3.16Å; D2-K6 PolarHBondContact O-N 3.37Å |
| 3 | R | 82.9 | Confident | 86.2 | Confident | 227 Ų | 227 | 126.2 Ų | 126.2 | 86% | 0.857 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.7 | -35.9 | -179.1 | -167.4 | 176.2 | -179.3 | 174.4 | 1 | 112.7 | L7 | R3-L7 WeakPolarHBondContact O-CB 3.35Å; R3-L7 PolarHBondContact O-N 2.98Å |
| 4 | M | 85.2 | Confident | 86.7 | Confident | 137 Ų | 137 | 126.9 Ų | 126.9 | 68% | 0.675 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72.3 | -40 | 178 | -71.2 | -62.5 | -75.8 | 0 | 0 | 112 | D2 L7 H8 | D2-M4 VanDerWaalsContact C-N 3.26Å; D2-M4 PolarHBondContact O-N 2.99Å; M4-L7 PolarHBondContact O-N 3.44Å; M4-H8 PolarHBondContact O-N 3.33Å |
| 5 | K | 87.4 | Confident | 87.1 | Confident | 140 Ų | 140 | 123.8 Ų | 123.8 | 61% | 0.609 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.3 | -44.9 | 172.9 | -69.6 | -176.3 | 178.1 | -179.5 | 0 | 111.2 | D2 L7 H8 E9 | D2-K5 PolarHBondContact O-N 3.16Å; K5-L7 PolarHBondContact O-N 3.34Å; K5-H8 PolarHBondContact O-N 2.92Å; K5-E9 PolarHBondContact O-N 3.32Å |
| 6 | K | 87.1 | Confident | 87.5 | Confident | 97 Ų | 97 | 122.9 Ų | 122.9 | 42% | 0.422 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.1 | -40.2 | 177.8 | -166 | 69.5 | -168.5 | 167.7 | 0 | 112.7 | D2 H8 E9 L10 | D2-K6 PolarHBondContact O-N 3.37Å; K6-H8 VanDerWaalsContact C-N 3.34Å; K6-E9 WeakPolarHBondContact CD-OE2 3.21Å; K6-E9 IonicContact NZ-OE1 2.76Å; K6-E9 IonicContact NZ-OE2 3.48Å; K6-E9 PolarHBondContact NZ-OE2 2.79Å; K6-E9 PolarHBondContact O-N 2.94Å; K6-L10 HydrophobicContact CG-CD1 4.45Å; K6-L10 WeakPolarHBondContact O-CB 3.45Å; K6-L10 VanDerWaalsContact O-CG 3.31Å; K6-L10 WeakPolarHBondContact O-CG 3.41Å; K6-L10 PolarHBondContact O-N 3.09Å |
| 7 | L | 90.3 | Very high | 87.9 | Confident | 70 Ų | 70 | 118.2 Ų | 118.2 | 37% | 0.366 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 174.9 | -177.2 | 65 | 0 | 0 | 0 | 112 | R3 M4 K5 L10 R11 | R3-L7 WeakPolarHBondContact O-CB 3.35Å; R3-L7 PolarHBondContact O-N 2.98Å; M4-L7 PolarHBondContact O-N 3.44Å; K5-L7 PolarHBondContact O-N 3.34Å; L7-L10 PolarHBondContact O-N 3.08Å; L7-R11 WeakPolarHBondContact O-CG 3.32Å; L7-R11 PolarHBondContact O-N 3.12Å |
| 8 | H | 89.7 | Confident | 88.1 | Confident | 120 Ų | 120 | 120.6 Ų | 120.6 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.9 | -47 | 175.3 | -177.7 | 76.6 | 0 | 0 | 0 | 111.4 | M4 K5 K6 L10 R11 M12 | M4-H8 PolarHBondContact O-N 3.33Å; K5-H8 PolarHBondContact O-N 2.92Å; K6-H8 VanDerWaalsContact C-N 3.34Å; H8-L10 PolarHBondContact O-N 2.83Å; H8-R11 WeakPolarHBondContact O-CB 3.39Å; H8-R11 PolarHBondContact O-N 3.17Å; H8-R11 VanDerWaalsContact O-N 3.12Å; H8-M12 WeakPolarHBondContact O-CG 3.42Å; H8-M12 PolarHBondContact O-N 3.38Å |
| 9 | E | 91.8 | Very high | 88.4 | Confident | 70 Ų | 70 | 121.6 Ų | 121.6 | 33% | 0.327 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 174.7 | -169.4 | -165.4 | 170.8 | 0 | 0 | 112 | K5 K6 R11 M12 R13 | K5-E9 PolarHBondContact O-N 3.32Å; K6-E9 WeakPolarHBondContact CD-OE2 3.21Å; K6-E9 IonicContact NZ-OE1 2.76Å; K6-E9 IonicContact NZ-OE2 3.48Å; K6-E9 PolarHBondContact NZ-OE2 2.79Å; K6-E9 PolarHBondContact O-N 2.94Å; E9-R11 VanDerWaalsContact C-N 3.32Å; E9-R11 PolarHBondContact O-N 2.95Å; E9-M12 PolarHBondContact O-N 2.79Å; E9-R13 WeakPolarHBondContact O-CG 3.32Å; E9-R13 PolarHBondContact O-N 2.66Å; E9-R13 IonicContact OE1-CZ 3.29Å; E9-R13 VanDerWaalsContact OE1-CZ 3.29Å; E9-R13 IonicContact OE1-NE 3.38Å; E9-R13 PolarHBondContact OE1-NE 3.3Å; E9-R13 IonicContact OE1-NH2 3.7Å; E9-R13 PolarHBondContact OE1-NH2 3.45Å |
| 10 | L | 90.9 | Very high | 88.7 | Confident | 88 Ų | 88 | 120.4 Ų | 120.4 | 46% | 0.461 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 176.6 | -72.5 | 172.2 | 0 | 0 | 0 | 112.7 | K6 L7 H8 R14 | K6-L10 HydrophobicContact CG-CD1 4.45Å; K6-L10 WeakPolarHBondContact O-CB 3.45Å; K6-L10 VanDerWaalsContact O-CG 3.31Å; K6-L10 WeakPolarHBondContact O-CG 3.41Å; K6-L10 PolarHBondContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 3.08Å; H8-L10 PolarHBondContact O-N 2.83Å; L10-R14 WeakPolarHBondContact O-CB 3.47Å; L10-R14 PolarHBondContact O-N 2.99Å |
| 11 | R | 91.6 | Very high | 88.9 | Confident | 137 Ų | 137 | 119.5 Ų | 119.5 | 52% | 0.517 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 172.6 | -75.9 | 175.1 | -178.5 | -165 | 0.4 | 111.1 | L7 H8 E9 R14 N15 | L7-R11 WeakPolarHBondContact O-CG 3.32Å; L7-R11 PolarHBondContact O-N 3.12Å; H8-R11 WeakPolarHBondContact O-CB 3.39Å; H8-R11 PolarHBondContact O-N 3.17Å; H8-R11 VanDerWaalsContact O-N 3.12Å; E9-R11 VanDerWaalsContact C-N 3.32Å; E9-R11 PolarHBondContact O-N 2.95Å; R11-R14 PolarHBondContact O-N 3.26Å; R11-N15 VanDerWaalsContact O-CG 3.29Å; R11-N15 PolarHBondContact O-N 3.06Å |
| 12 | M | 92.4 | Very high | 90.4 | Very high | 85 Ų | 85 | 115.8 Ų | 115.8 | 42% | 0.419 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -49.9 | 176.2 | -68.6 | -57.4 | -70 | 0 | 0 | 111.5 | H8 E9 R14 N15 E16 | H8-M12 WeakPolarHBondContact O-CG 3.42Å; H8-M12 PolarHBondContact O-N 3.38Å; E9-M12 PolarHBondContact O-N 2.79Å; M12-R14 VanDerWaalsContact C-N 3.27Å; M12-R14 PolarHBondContact O-N 3.41Å; M12-N15 CarbonylContact O-C 3.56Å; M12-N15 WeakPolarHBondContact O-CA 3.43Å; M12-N15 WeakPolarHBondContact O-CB 3.41Å; M12-N15 PolarHBondContact O-N 3.15Å; M12-E16 WeakPolarHBondContact O-CG 3.21Å; M12-E16 PolarHBondContact O-N 3.03Å |
| 13 | R | 91.2 | Very high | 91 | Very high | 138 Ų | 138 | 114.1 Ų | 114.1 | 52% | 0.521 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58 | -37.6 | 175.3 | -70.9 | -175.2 | -171.7 | -163 | -0.9 | 113 | E9 E16 A17 | E9-R13 WeakPolarHBondContact O-CG 3.32Å; E9-R13 PolarHBondContact O-N 2.66Å; E9-R13 IonicContact OE1-CZ 3.29Å; E9-R13 VanDerWaalsContact OE1-CZ 3.29Å; E9-R13 IonicContact OE1-NE 3.38Å; E9-R13 PolarHBondContact OE1-NE 3.3Å; E9-R13 IonicContact OE1-NH2 3.7Å; E9-R13 PolarHBondContact OE1-NH2 3.45Å; R13-E16 PolarHBondContact O-N 2.92Å; R13-A17 VanDerWaalsContact O-CB 3.31Å; R13-A17 WeakPolarHBondContact O-CB 3.35Å; R13-A17 PolarHBondContact O-N 2.95Å |
| 14 | R | 92.5 | Very high | 91.5 | Very high | 135 Ų | 135 | 108.1 Ų | 108.1 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 175.4 | -167.6 | -158.6 | -36.6 | -179.4 | 6 | 111.9 | L10 R11 M12 R18 | L10-R14 WeakPolarHBondContact O-CB 3.47Å; L10-R14 PolarHBondContact O-N 2.99Å; R11-R14 PolarHBondContact O-N 3.26Å; M12-R14 VanDerWaalsContact C-N 3.27Å; M12-R14 PolarHBondContact O-N 3.41Å; R14-R18 VanDerWaalsContact O-CB 3.29Å; R14-R18 WeakPolarHBondContact O-CB 3.35Å; R14-R18 PolarHBondContact O-N 2.97Å |
| 15 | N | 93.4 | Very high | 91.8 | Very high | 81 Ų | 81 | 105.9 Ų | 105.9 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 175.9 | -73.7 | -13.9 | 0 | 0 | 0 | 111.1 | R11 M12 R18 K19 | R11-N15 VanDerWaalsContact O-CG 3.29Å; R11-N15 PolarHBondContact O-N 3.06Å; M12-N15 CarbonylContact O-C 3.56Å; M12-N15 WeakPolarHBondContact O-CA 3.43Å; M12-N15 WeakPolarHBondContact O-CB 3.41Å; M12-N15 PolarHBondContact O-N 3.15Å; N15-R18 PolarHBondContact O-N 2.98Å; N15-K19 WeakPolarHBondContact O-CB 3.34Å; N15-K19 PolarHBondContact O-N 3.04Å |
| 16 | E | 93.9 | Very high | 92.1 | Very high | 109 Ų | 109 | 102.4 Ų | 102.4 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.2 | -51.3 | 172.6 | -72.4 | 168.2 | -179.5 | 0 | 0 | 111.2 | M12 R13 R18 K19 L20 | M12-E16 WeakPolarHBondContact O-CG 3.21Å; M12-E16 PolarHBondContact O-N 3.03Å; R13-E16 PolarHBondContact O-N 2.92Å; E16-R18 VanDerWaalsContact C-N 3.32Å; E16-R18 PolarHBondContact O-N 3.48Å; E16-K19 WeakPolarHBondContact O-CB 3.29Å; E16-K19 PolarHBondContact O-N 2.89Å; E16-K19 VanDerWaalsContact O-N 3.1Å; E16-L20 WeakPolarHBondContact O-CG 3.41Å; E16-L20 PolarHBondContact O-N 3.3Å |
| 17 | A | 93 | Very high | 92.2 | Very high | 43 Ų | 43 | 101.6 Ų | 101.6 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R13 K19 L20 N21 | R13-A17 VanDerWaalsContact O-CB 3.31Å; R13-A17 WeakPolarHBondContact O-CB 3.35Å; R13-A17 PolarHBondContact O-N 2.95Å; A17-K19 VanDerWaalsContact C-N 3.33Å; A17-K19 PolarHBondContact O-N 2.99Å; A17-L20 PolarHBondContact O-N 3.48Å; A17-N21 WeakPolarHBondContact O-CB 3.44Å; A17-N21 PolarHBondContact O-N 3.47Å; A17-N21 PolarHBondContact O-OD1 3.1Å |
| 18 | R | 92 | Very high | 92.1 | Very high | 162 Ų | 162 | 104.9 Ų | 104.9 | 61% | 0.611 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -41.2 | 174.8 | -175.5 | -174 | -67.1 | -179.3 | -5.3 | 111.6 | R14 N15 E16 H22 | R14-R18 VanDerWaalsContact O-CB 3.29Å; R14-R18 WeakPolarHBondContact O-CB 3.35Å; R14-R18 PolarHBondContact O-N 2.97Å; N15-R18 PolarHBondContact O-N 2.98Å; E16-R18 VanDerWaalsContact C-N 3.32Å; E16-R18 PolarHBondContact O-N 3.48Å; R18-H22 WeakPolarHBondContact O-CB 3.47Å; R18-H22 PolarHBondContact O-N 3.32Å |
| 19 | K | 94.2 | Very high | 92.1 | Very high | 139 Ų | 139 | 102.7 Ų | 102.7 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.5 | -45.2 | 179.1 | -173.2 | -179.4 | 178.3 | -175.3 | 0 | 111.4 | N15 E16 A17 H22 Q23 | N15-K19 WeakPolarHBondContact O-CB 3.34Å; N15-K19 PolarHBondContact O-N 3.04Å; E16-K19 WeakPolarHBondContact O-CB 3.29Å; E16-K19 PolarHBondContact O-N 2.89Å; E16-K19 VanDerWaalsContact O-N 3.1Å; A17-K19 VanDerWaalsContact C-N 3.33Å; A17-K19 PolarHBondContact O-N 2.99Å; K19-H22 PolarHBondContact O-N 3.09Å; K19-Q23 VanDerWaalsContact O-CG 3.3Å; K19-Q23 WeakPolarHBondContact O-CG 3.41Å; K19-Q23 PolarHBondContact O-N 3.08Å |
| 20 | L | 93.9 | Very high | 92 | Very high | 97 Ų | 97 | 105.8 Ų | 105.8 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -50 | 176.1 | -71.5 | 169.9 | 0 | 0 | 0 | 111.1 | E16 A17 H22 Q23 D24 | E16-L20 WeakPolarHBondContact O-CG 3.41Å; E16-L20 PolarHBondContact O-N 3.3Å; A17-L20 PolarHBondContact O-N 3.48Å; L20-H22 VanDerWaalsContact C-N 3.27Å; L20-H22 PolarHBondContact O-N 3.24Å; L20-Q23 WeakPolarHBondContact O-CB 3.45Å; L20-Q23 PolarHBondContact O-N 2.95Å; L20-D24 PolarHBondContact O-N 3.16Å |
| 21 | N | 92.4 | Very high | 91.7 | Very high | 103 Ų | 103 | 110.3 Ų | 110.3 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59 | -39.8 | 177.1 | -68.6 | 0.5 | 0 | 0 | 0 | 112 | A17 D24 V25 | A17-N21 WeakPolarHBondContact O-CB 3.44Å; A17-N21 PolarHBondContact O-N 3.47Å; A17-N21 PolarHBondContact O-OD1 3.1Å; N21-D24 PolarHBondContact O-N 2.94Å; N21-V25 VanDerWaalsContact O-CG2 3.25Å; N21-V25 WeakPolarHBondContact O-CG2 3.46Å; N21-V25 PolarHBondContact O-N 3.4Å |
| 22 | H | 92.4 | Very high | 91.3 | Very high | 126 Ų | 126 | 108.1 Ų | 108.1 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -40.9 | 176.2 | -179.3 | 55.7 | 0 | 0 | 0 | 112 | R18 K19 L20 V25 V26 | R18-H22 WeakPolarHBondContact O-CB 3.47Å; R18-H22 PolarHBondContact O-N 3.32Å; K19-H22 PolarHBondContact O-N 3.09Å; L20-H22 VanDerWaalsContact C-N 3.27Å; L20-H22 PolarHBondContact O-N 3.24Å; H22-V25 PolarHBondContact O-N 3.41Å; H22-V26 WeakPolarHBondContact O-CB 3.45Å; H22-V26 VanDerWaalsContact O-CG2 3.24Å; H22-V26 WeakPolarHBondContact O-CG2 3.4Å; H22-V26 PolarHBondContact O-N 3.14Å |
| 23 | Q | 93.9 | Very high | 91.1 | Very high | 92 Ų | 92 | 111 Ų | 111 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 174.9 | -73.7 | 173.2 | -24.4 | 0 | 0 | 111.5 | K19 L20 V26 E27 | K19-Q23 VanDerWaalsContact O-CG 3.3Å; K19-Q23 WeakPolarHBondContact O-CG 3.41Å; K19-Q23 PolarHBondContact O-N 3.08Å; L20-Q23 WeakPolarHBondContact O-CB 3.45Å; L20-Q23 PolarHBondContact O-N 2.95Å; Q23-V26 PolarHBondContact O-N 3.02Å; Q23-E27 PolarHBondContact O-N 2.83Å |
| 24 | D | 91.8 | Very high | 91 | Very high | 102 Ų | 102 | 106.7 Ų | 106.7 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 178.5 | -68.1 | -23 | 0 | 0 | 0 | 111.8 | L20 N21 V26 E27 E28 | L20-D24 PolarHBondContact O-N 3.16Å; N21-D24 PolarHBondContact O-N 2.94Å; D24-V26 VanDerWaalsContact C-N 3.33Å; D24-V26 PolarHBondContact O-N 3.36Å; D24-E27 PolarHBondContact O-N 3.24Å; D24-E28 WeakPolarHBondContact O-CB 3.41Å; D24-E28 PolarHBondContact O-N 3.45Å |
| 25 | V | 92.3 | Very high | 90.8 | Very high | 89 Ų | 89 | 104 Ų | 104 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.9 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | N21 H22 D29 | N21-V25 VanDerWaalsContact O-CG2 3.25Å; N21-V25 WeakPolarHBondContact O-CG2 3.46Å; N21-V25 PolarHBondContact O-N 3.4Å; H22-V25 PolarHBondContact O-N 3.41Å; V25-D29 WeakPolarHBondContact O-CB 3.35Å; V25-D29 PolarHBondContact O-N 2.99Å |
| 26 | V | 93.7 | Very high | 90.4 | Very high | 67 Ų | 67 | 105.7 Ų | 105.7 | 41% | 0.406 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 177 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | H22 Q23 D24 R30 | H22-V26 WeakPolarHBondContact O-CB 3.45Å; H22-V26 VanDerWaalsContact O-CG2 3.24Å; H22-V26 WeakPolarHBondContact O-CG2 3.4Å; H22-V26 PolarHBondContact O-N 3.14Å; Q23-V26 PolarHBondContact O-N 3.02Å; D24-V26 VanDerWaalsContact C-N 3.33Å; D24-V26 PolarHBondContact O-N 3.36Å; V26-R30 WeakPolarHBondContact O-CB 3.49Å; V26-R30 PolarHBondContact O-N 3.33Å |
| 27 | E | 89.4 | Confident | 90.2 | Very high | 81 Ų | 81 | 105.6 Ų | 105.6 | 38% | 0.379 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.6 | -34.8 | 176.4 | -76.6 | -62.6 | 141.7 | 0 | 0 | 112.2 | Q23 D24 R30 R31 | Q23-E27 PolarHBondContact O-N 2.83Å; D24-E27 PolarHBondContact O-N 3.24Å; E27-R30 PolarHBondContact O-N 3.11Å; E27-R30 IonicContact OE1-NH1 3.97Å; E27-R30 PolarHBondContact OE1-NH1 3.01Å; E27-R30 IonicContact OE2-NH1 3.84Å; E27-R30 PolarHBondContact OE2-NH1 3.43Å; E27-R31 WeakPolarHBondContact O-CB 3.46Å; E27-R31 VanDerWaalsContact O-CG 3.27Å; E27-R31 WeakPolarHBondContact O-CG 3.45Å; E27-R31 PolarHBondContact O-N 3.36Å |
| 28 | E | 87 | Confident | 89.9 | Confident | 139 Ų | 139 | 107.9 Ų | 107.9 | 65% | 0.65 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -45.5 | 172.9 | -169.6 | 178.5 | -172.4 | 0 | 0 | 111.8 | D24 R30 R31 S32 | D24-E28 WeakPolarHBondContact O-CB 3.41Å; D24-E28 PolarHBondContact O-N 3.45Å; E28-R30 VanDerWaalsContact C-N 3.31Å; E28-R30 PolarHBondContact O-N 3.16Å; E28-R31 PolarHBondContact O-N 2.88Å; E28-S32 PolarHBondContact O-N 3.44Å |
| 29 | D | 91.2 | Very high | 89.7 | Confident | 73 Ų | 73 | 106.9 Ų | 106.9 | 39% | 0.39 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 173.8 | 177.6 | 67.7 | 0 | 0 | 0 | 112 | V25 S32 K33 | V25-D29 WeakPolarHBondContact O-CB 3.35Å; V25-D29 PolarHBondContact O-N 2.99Å; D29-S32 WeakPolarHBondContact CA-OG 3.5Å; D29-S32 PolarHBondContact O-OG 3.45Å; D29-K33 VanDerWaalsContact CG-NZ 3.32Å; D29-K33 WeakPolarHBondContact O-CB 3.36Å; D29-K33 WeakPolarHBondContact O-CD 3.48Å; D29-K33 VanDerWaalsContact O-CG 3.27Å; D29-K33 WeakPolarHBondContact O-CG 3.49Å; D29-K33 PolarHBondContact O-N 3.1Å; D29-K33 VanDerWaalsContact O-N 3.14Å; D29-K33 WeakPolarHBondContact OD1-CE 3.33Å; D29-K33 IonicContact OD1-NZ 3.09Å; D29-K33 PolarHBondContact OD1-NZ 3.05Å; D29-K33 WeakPolarHBondContact OD2-CE 3.14Å; D29-K33 IonicContact OD2-NZ 4Å; D29-K33 PolarHBondContact OD2-NZ 2.91Å |
| 30 | R | 89.5 | Confident | 89.4 | Confident | 135 Ų | 135 | 103.1 Ų | 103.1 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 171.8 | -177.7 | -174.4 | 175.3 | -168.5 | 0 | 110.7 | V26 E27 E28 S32 K33 L34 | V26-R30 WeakPolarHBondContact O-CB 3.49Å; V26-R30 PolarHBondContact O-N 3.33Å; E27-R30 PolarHBondContact O-N 3.11Å; E27-R30 IonicContact OE1-NH1 3.97Å; E27-R30 PolarHBondContact OE1-NH1 3.01Å; E27-R30 IonicContact OE2-NH1 3.84Å; E27-R30 PolarHBondContact OE2-NH1 3.43Å; E28-R30 VanDerWaalsContact C-N 3.31Å; E28-R30 PolarHBondContact O-N 3.16Å; R30-S32 VanDerWaalsContact C-N 3.35Å; R30-S32 PolarHBondContact O-N 2.87Å; R30-K33 PolarHBondContact O-N 3.05Å; R30-L34 WeakPolarHBondContact O-CG 3.21Å; R30-L34 PolarHBondContact O-N 2.89Å |
| 31 | R | 84.1 | Confident | 89.3 | Confident | 183 Ų | 183 | 104.7 Ų | 104.7 | 69% | 0.691 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.1 | -39.4 | 179.2 | -75.5 | 175.2 | -175.4 | -170.4 | 1.9 | 112.3 | E27 E28 K33 L34 | E27-R31 WeakPolarHBondContact O-CB 3.46Å; E27-R31 VanDerWaalsContact O-CG 3.27Å; E27-R31 WeakPolarHBondContact O-CG 3.45Å; E27-R31 PolarHBondContact O-N 3.36Å; E28-R31 PolarHBondContact O-N 2.88Å; R31-K33 VanDerWaalsContact C-N 3.29Å; R31-K33 PolarHBondContact O-N 2.69Å; R31-L34 HydrophobicContact CG-CD1 4.48Å; R31-L34 WeakPolarHBondContact O-CB 3.24Å; R31-L34 PolarHBondContact O-N 3.32Å |
| 32 | S | 83.3 | Confident | 89.2 | Confident | 91 Ų | 91 | 103.2 Ų | 103.2 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.7 | -29.9 | 177.8 | 73.2 | 0 | 0 | 0 | 0 | 112.6 | E28 D29 R30 | E28-S32 PolarHBondContact O-N 3.44Å; D29-S32 WeakPolarHBondContact CA-OG 3.5Å; D29-S32 PolarHBondContact O-OG 3.45Å; R30-S32 VanDerWaalsContact C-N 3.35Å; R30-S32 PolarHBondContact O-N 2.87Å |
| 33 | K | 89 | Confident | 89.1 | Confident | 147 Ų | 147 | 103.4 Ų | 103.4 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -10.2 | 174.1 | -71 | 169.9 | -178.7 | 167.8 | 0 | 113.9 | D29 R30 R31 | D29-K33 VanDerWaalsContact CG-NZ 3.32Å; D29-K33 WeakPolarHBondContact O-CB 3.36Å; D29-K33 WeakPolarHBondContact O-CD 3.48Å; D29-K33 VanDerWaalsContact O-CG 3.27Å; D29-K33 WeakPolarHBondContact O-CG 3.49Å; D29-K33 PolarHBondContact O-N 3.1Å; D29-K33 VanDerWaalsContact O-N 3.14Å; D29-K33 WeakPolarHBondContact OD1-CE 3.33Å; D29-K33 IonicContact OD1-NZ 3.09Å; D29-K33 PolarHBondContact OD1-NZ 3.05Å; D29-K33 WeakPolarHBondContact OD2-CE 3.14Å; D29-K33 IonicContact OD2-NZ 4Å; D29-K33 PolarHBondContact OD2-NZ 2.91Å; R30-K33 PolarHBondContact O-N 3.05Å; R31-K33 VanDerWaalsContact C-N 3.29Å; R31-K33 PolarHBondContact O-N 2.69Å |
| 34 | L | 87.9 | Confident | 89 | Confident | 46 Ų | 46 | 107 Ų | 107 | 24% | 0.241 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -69.2 | 139.2 | 176 | -68.7 | 172.5 | 0 | 0 | 0 | 109.6 | R30 R31 W38 | R30-L34 WeakPolarHBondContact O-CG 3.21Å; R30-L34 PolarHBondContact O-N 2.89Å; R31-L34 HydrophobicContact CG-CD1 4.48Å; R31-L34 WeakPolarHBondContact O-CB 3.24Å; R31-L34 PolarHBondContact O-N 3.32Å; L34-W38 HydrophobicContact CB-CB 3.99Å; L34-W38 HydrophobicContact CB-CG 4.15Å; L34-W38 HydrophobicContact CD1-CD2 3.63Å; L34-W38 HydrophobicContact CD1-CE3 3.7Å; L34-W38 HydrophobicContact CD1-CG 4.02Å; L34-W38 HydrophobicContact CD1-CH2 4.4Å; L34-W38 HydrophobicContact CD1-CZ2 4.35Å; L34-W38 HydrophobicContact CD1-CZ3 4.09Å; L34-W38 HydrophobicContact CD2-CB 4.49Å; L34-W38 HydrophobicContact CD2-CD2 4.04Å; L34-W38 HydrophobicContact CD2-CG 3.8Å; L34-W38 HydrophobicContact CG-CD2 4.29Å; L34-W38 HydrophobicContact CG-CG 4.19Å |
| 35 | P | 88.4 | Confident | 89 | Confident | 78 Ų | 78 | 106.6 Ų | 106.6 | 51% | 0.506 | 54% | 0.535 | S | S | . | . | trans | -54.9 | 143.4 | 169 | -27.1 | 36.4 | 0 | 0 | 0 | 110.9 | N37 W38 | P35-N37 WeakPolarHBondContact CB-OD1 3.42Å; P35-N37 PolarHBondContact O-N 3.33Å; P35-W38 VanDerWaalsContact O-CB 3.23Å; P35-W38 WeakPolarHBondContact O-CB 3.31Å; P35-W38 PolarHBondContact O-N 3.12Å | ||
| 36 | A | 85.2 | Confident | 89.1 | Confident | 117 Ų | 117 | 107.7 Ų | 107.7 | 97% | 0.967 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -19 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 37 | N | 89 | Confident | 89 | Confident | 107 Ų | 107 | 111.3 Ų | 111.3 | 57% | 0.572 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 9.6 | 177.4 | 66.3 | -7.8 | 0 | 0 | 0 | 114.3 | P35 E39 A40 K41 | P35-N37 WeakPolarHBondContact CB-OD1 3.42Å; P35-N37 PolarHBondContact O-N 3.33Å; N37-E39 PolarHBondContact O-N 3.38Å; N37-A40 PolarHBondContact O-N 3.26Å; N37-K41 PolarHBondContact O-N 3.35Å |
| 38 | W | 87.3 | Confident | 89.1 | Confident | 91 Ų | 91 | 110.5 Ų | 110.5 | 35% | 0.345 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | -174.3 | 179.8 | 85.9 | 0 | 0 | 0 | 112.9 | L34 P35 A40 K41 Q42 | L34-W38 HydrophobicContact CB-CB 3.99Å; L34-W38 HydrophobicContact CB-CG 4.15Å; L34-W38 HydrophobicContact CD1-CD2 3.63Å; L34-W38 HydrophobicContact CD1-CE3 3.7Å; L34-W38 HydrophobicContact CD1-CG 4.02Å; L34-W38 HydrophobicContact CD1-CH2 4.4Å; L34-W38 HydrophobicContact CD1-CZ2 4.35Å; L34-W38 HydrophobicContact CD1-CZ3 4.09Å; L34-W38 HydrophobicContact CD2-CB 4.49Å; L34-W38 HydrophobicContact CD2-CD2 4.04Å; L34-W38 HydrophobicContact CD2-CG 3.8Å; L34-W38 HydrophobicContact CG-CD2 4.29Å; L34-W38 HydrophobicContact CG-CG 4.19Å; P35-W38 VanDerWaalsContact O-CB 3.23Å; P35-W38 WeakPolarHBondContact O-CB 3.31Å; P35-W38 PolarHBondContact O-N 3.12Å; W38-A40 PolarHBondContact O-N 2.88Å; W38-K41 WeakPolarHBondContact O-CB 3.2Å; W38-K41 PolarHBondContact O-N 3.38Å; W38-K41 VanDerWaalsContact O-N 3.12Å; W38-Q42 HydrophobicContact CD2-CG 3.9Å; W38-Q42 HydrophobicContact CE3-CG 4.08Å; W38-Q42 HydrophobicContact CH2-CG 3.85Å; W38-Q42 HydrophobicContact CZ2-CG 3.65Å; W38-Q42 HydrophobicContact CZ3-CG 4.06Å; W38-Q42 WeakPolarHBondContact O-CG 3.42Å; W38-Q42 PolarHBondContact O-N 3.07Å |
| 39 | E | 88 | Confident | 89.4 | Confident | 141 Ų | 141 | 109.8 Ų | 109.8 | 66% | 0.659 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.5 | -45 | 177.8 | -65.2 | -177 | 169.3 | 0 | 0 | 111.5 | N37 K41 Q42 Q43 | N37-E39 PolarHBondContact O-N 3.38Å; E39-K41 VanDerWaalsContact C-N 3.26Å; E39-K41 PolarHBondContact O-N 3Å; E39-Q42 PolarHBondContact O-N 3.39Å; E39-Q42 VanDerWaalsContact O-N 3.15Å; E39-Q43 WeakPolarHBondContact O-CG 3.26Å; E39-Q43 PolarHBondContact O-N 3.1Å |
| 40 | A | 88.5 | Confident | 89.5 | Confident | 61 Ų | 61 | 110.8 Ų | 110.8 | 50% | 0.504 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.7 | -35.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N37 W38 R44 | N37-A40 PolarHBondContact O-N 3.26Å; W38-A40 PolarHBondContact O-N 2.88Å; A40-R44 WeakPolarHBondContact O-CB 3.47Å; A40-R44 PolarHBondContact O-N 3.43Å |
| 41 | K | 90.3 | Very high | 89.6 | Confident | 130 Ų | 130 | 105.9 Ų | 105.9 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.7 | -42.9 | 173.9 | -169.9 | 180 | -179 | -179.2 | 0 | 111.5 | N37 W38 E39 R44 M45 | N37-K41 PolarHBondContact O-N 3.35Å; W38-K41 WeakPolarHBondContact O-CB 3.2Å; W38-K41 PolarHBondContact O-N 3.38Å; W38-K41 VanDerWaalsContact O-N 3.12Å; E39-K41 VanDerWaalsContact C-N 3.26Å; E39-K41 PolarHBondContact O-N 3Å; K41-R44 PolarHBondContact O-N 3.15Å; K41-M45 VanDerWaalsContact O-CG 3.3Å; K41-M45 WeakPolarHBondContact O-CG 3.18Å; K41-M45 PolarHBondContact O-N 2.87Å |
| 42 | Q | 90.8 | Very high | 90 | Very high | 72 Ų | 72 | 101.4 Ų | 101.4 | 34% | 0.336 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 176.2 | -70.2 | -57 | -45.2 | 0 | 0 | 111.6 | W38 E39 R44 M45 Q46 | W38-Q42 HydrophobicContact CD2-CG 3.9Å; W38-Q42 HydrophobicContact CE3-CG 4.08Å; W38-Q42 HydrophobicContact CH2-CG 3.85Å; W38-Q42 HydrophobicContact CZ2-CG 3.65Å; W38-Q42 HydrophobicContact CZ3-CG 4.06Å; W38-Q42 WeakPolarHBondContact O-CG 3.42Å; W38-Q42 PolarHBondContact O-N 3.07Å; E39-Q42 PolarHBondContact O-N 3.39Å; E39-Q42 VanDerWaalsContact O-N 3.15Å; Q42-R44 VanDerWaalsContact C-N 3.27Å; Q42-R44 PolarHBondContact O-N 2.88Å; Q42-M45 PolarHBondContact O-N 3.23Å; Q42-M45 VanDerWaalsContact O-N 3.16Å; Q42-Q46 WeakPolarHBondContact O-CG 3.47Å; Q42-Q46 PolarHBondContact O-N 3.46Å |
| 43 | Q | 91.5 | Very high | 90.4 | Very high | 130 Ų | 130 | 103.3 Ų | 103.3 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.8 | -41.3 | 175.6 | -72.6 | 179.6 | 8.6 | 0 | 0 | 111.8 | E39 Q46 W47 | E39-Q43 WeakPolarHBondContact O-CG 3.26Å; E39-Q43 PolarHBondContact O-N 3.1Å; Q43-Q46 PolarHBondContact O-N 3.16Å; Q43-W47 WeakPolarHBondContact O-CB 3.47Å; Q43-W47 PolarHBondContact O-N 3.16Å |
| 44 | R | 90.1 | Very high | 90.6 | Very high | 167 Ų | 167 | 101.1 Ų | 101.1 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.5 | -45.4 | 175.7 | -178.1 | 177.5 | 170.1 | -172.5 | -4 | 112.2 | A40 K41 Q42 Q46 W47 E48 | A40-R44 WeakPolarHBondContact O-CB 3.47Å; A40-R44 PolarHBondContact O-N 3.43Å; K41-R44 PolarHBondContact O-N 3.15Å; Q42-R44 VanDerWaalsContact C-N 3.27Å; Q42-R44 PolarHBondContact O-N 2.88Å; R44-Q46 VanDerWaalsContact C-N 3.34Å; R44-W47 PolarHBondContact O-N 3.42Å; R44-E48 HydrophobicContact CG-CG 4.48Å; R44-E48 IonicContact CZ-OE1 3.81Å; R44-E48 IonicContact NE-OE1 3.87Å; R44-E48 PolarHBondContact NE-OE1 3.29Å; R44-E48 IonicContact NH2-OE1 2.81Å; R44-E48 PolarHBondContact NH2-OE1 2.84Å; R44-E48 VanDerWaalsContact NH2-OE1 3.09Å; R44-E48 WeakPolarHBondContact O-CB 3.33Å; R44-E48 WeakPolarHBondContact O-CG 3.29Å; R44-E48 PolarHBondContact O-N 3.49Å |
| 45 | M | 91.9 | Very high | 90.8 | Very high | 94 Ų | 94 | 105.5 Ų | 105.5 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177 | -69 | -68.5 | -62.4 | 0 | 0 | 111.3 | K41 Q42 E48 M49 | K41-M45 VanDerWaalsContact O-CG 3.3Å; K41-M45 WeakPolarHBondContact O-CG 3.18Å; K41-M45 PolarHBondContact O-N 2.87Å; Q42-M45 PolarHBondContact O-N 3.23Å; Q42-M45 VanDerWaalsContact O-N 3.16Å; M45-E48 PolarHBondContact O-N 3.47Å; M45-M49 VanDerWaalsContact O-CG 3.32Å; M45-M49 WeakPolarHBondContact O-CG 3.42Å; M45-M49 PolarHBondContact O-N 2.83Å |
| 46 | Q | 93.9 | Very high | 91 | Very high | 112 Ų | 112 | 108 Ų | 108 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 175.3 | -73.2 | 173.2 | -6.8 | 0 | 0 | 111.3 | Q42 Q43 R44 E48 M49 E50 | Q42-Q46 WeakPolarHBondContact O-CG 3.47Å; Q42-Q46 PolarHBondContact O-N 3.46Å; Q43-Q46 PolarHBondContact O-N 3.16Å; R44-Q46 VanDerWaalsContact C-N 3.34Å; Q46-E48 PolarHBondContact O-N 3.24Å; Q46-M49 PolarHBondContact O-N 3.49Å; Q46-E50 WeakPolarHBondContact O-CG 3.42Å; Q46-E50 PolarHBondContact O-N 2.76Å |
| 47 | W | 92.6 | Very high | 91.4 | Very high | 142 Ų | 142 | 107 Ų | 107 | 54% | 0.538 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 176.4 | 179.1 | 84.1 | 0 | 0 | 0 | 112.7 | Q43 R44 M49 E50 D51 | Q43-W47 WeakPolarHBondContact O-CB 3.47Å; Q43-W47 PolarHBondContact O-N 3.16Å; R44-W47 PolarHBondContact O-N 3.42Å; W47-M49 VanDerWaalsContact C-N 3.34Å; W47-M49 PolarHBondContact O-N 2.84Å; W47-E50 PolarHBondContact O-N 3Å; W47-D51 VanDerWaalsContact O-CB 3.29Å; W47-D51 WeakPolarHBondContact O-CB 3.34Å; W47-D51 PolarHBondContact O-N 2.98Å |
| 48 | E | 91.1 | Very high | 91.5 | Very high | 65 Ų | 65 | 102.2 Ų | 102.2 | 30% | 0.304 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 176.5 | -74.9 | 175.3 | -173 | 0 | 0 | 111.4 | R44 M45 Q46 L52 | R44-E48 HydrophobicContact CG-CG 4.48Å; R44-E48 IonicContact CZ-OE1 3.81Å; R44-E48 IonicContact NE-OE1 3.87Å; R44-E48 PolarHBondContact NE-OE1 3.29Å; R44-E48 IonicContact NH2-OE1 2.81Å; R44-E48 PolarHBondContact NH2-OE1 2.84Å; R44-E48 VanDerWaalsContact NH2-OE1 3.09Å; R44-E48 WeakPolarHBondContact O-CB 3.33Å; R44-E48 WeakPolarHBondContact O-CG 3.29Å; R44-E48 PolarHBondContact O-N 3.49Å; M45-E48 PolarHBondContact O-N 3.47Å; Q46-E48 PolarHBondContact O-N 3.24Å; E48-L52 WeakPolarHBondContact O-CB 3.38Å; E48-L52 VanDerWaalsContact O-CG 3.3Å; E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.39Å |
| 49 | M | 93.5 | Very high | 91.6 | Very high | 124 Ų | 124 | 105 Ų | 105 | 61% | 0.611 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.8 | -46.4 | 175.2 | -69.8 | -60.5 | -59.6 | 0 | 0 | 112.3 | M45 Q46 W47 D51 L52 E53 | M45-M49 VanDerWaalsContact O-CG 3.32Å; M45-M49 WeakPolarHBondContact O-CG 3.42Å; M45-M49 PolarHBondContact O-N 2.83Å; Q46-M49 PolarHBondContact O-N 3.49Å; W47-M49 VanDerWaalsContact C-N 3.34Å; W47-M49 PolarHBondContact O-N 2.84Å; M49-D51 VanDerWaalsContact C-N 3.34Å; M49-D51 PolarHBondContact O-N 3.17Å; M49-L52 PolarHBondContact O-N 2.69Å; M49-E53 WeakPolarHBondContact O-CB 3.26Å; M49-E53 PolarHBondContact O-N 3.31Å |
| 50 | E | 92.7 | Very high | 91.8 | Very high | 94 Ų | 94 | 103 Ų | 103 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 176.6 | -72.9 | 177.9 | -165.8 | 0 | 0 | 112.2 | Q46 W47 E53 K54 | Q46-E50 WeakPolarHBondContact O-CG 3.42Å; Q46-E50 PolarHBondContact O-N 2.76Å; W47-E50 PolarHBondContact O-N 3Å; E50-E53 PolarHBondContact O-N 3.47Å; E50-K54 WeakPolarHBondContact O-CB 3.34Å; E50-K54 VanDerWaalsContact O-CG 3.26Å; E50-K54 WeakPolarHBondContact O-CG 3.48Å; E50-K54 PolarHBondContact O-N 2.61Å |
| 51 | D | 91.9 | Very high | 92 | Very high | 32 Ų | 32 | 106 Ų | 106 | 17% | 0.171 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 177.8 | -165.1 | 76 | 0 | 0 | 0 | 110.9 | W47 M49 R55 Y65 K69 | W47-D51 VanDerWaalsContact O-CB 3.29Å; W47-D51 WeakPolarHBondContact O-CB 3.34Å; W47-D51 PolarHBondContact O-N 2.98Å; M49-D51 VanDerWaalsContact C-N 3.34Å; M49-D51 PolarHBondContact O-N 3.17Å; D51-R55 VanDerWaalsContact O-CB 3.29Å; D51-R55 WeakPolarHBondContact O-CB 3.35Å; D51-R55 PolarHBondContact O-N 2.76Å; D51-Y65 WeakPolarHBondContact OD1-CE1 3.48Å; D51-Y65 PolarHBondContact OD1-OH 3.43Å; D51-K69 IonicContact OD1-NZ 2.76Å; D51-K69 PolarHBondContact OD1-NZ 3.44Å; D51-K69 IonicContact OD2-NZ 3.88Å |
| 52 | L | 92.4 | Very high | 92 | Very high | 88 Ų | 88 | 103.3 Ų | 103.3 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 173.3 | -76.7 | 172.1 | 0 | 0 | 0 | 112.5 | E48 M49 R55 Q56 | E48-L52 WeakPolarHBondContact O-CB 3.38Å; E48-L52 VanDerWaalsContact O-CG 3.3Å; E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.39Å; M49-L52 PolarHBondContact O-N 2.69Å; L52-R55 WeakPolarHBondContact O-CB 3.34Å; L52-R55 PolarHBondContact O-N 2.92Å; L52-Q56 WeakPolarHBondContact O-CG 3.47Å; L52-Q56 PolarHBondContact O-N 3.23Å |
| 53 | E | 93.4 | Very high | 91.9 | Very high | 132 Ų | 132 | 104.7 Ų | 104.7 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.6 | -47.9 | 177.9 | -174.6 | 176.5 | -167.3 | 0 | 0 | 111.1 | M49 E50 R55 Q56 E57 | M49-E53 WeakPolarHBondContact O-CB 3.26Å; M49-E53 PolarHBondContact O-N 3.31Å; E50-E53 PolarHBondContact O-N 3.47Å; E53-R55 VanDerWaalsContact C-N 3.28Å; E53-R55 PolarHBondContact O-N 2.87Å; E53-Q56 PolarHBondContact O-N 3.22Å; E53-E57 WeakPolarHBondContact O-CB 3.44Å; E53-E57 PolarHBondContact O-N 3.35Å |
| 54 | K | 92.2 | Very high | 91.8 | Very high | 101 Ų | 101 | 102.4 Ų | 102.4 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -34.2 | 176.1 | -69.5 | 170.7 | -176.1 | 165.9 | 0 | 112.6 | E50 E57 A58 Y65 | E50-K54 WeakPolarHBondContact O-CB 3.34Å; E50-K54 VanDerWaalsContact O-CG 3.26Å; E50-K54 WeakPolarHBondContact O-CG 3.48Å; E50-K54 PolarHBondContact O-N 2.61Å; K54-E57 PolarHBondContact O-N 2.91Å; K54-A58 WeakPolarHBondContact O-CB 3.18Å; K54-A58 PolarHBondContact O-N 3.16Å; K54-Y65 HydrophobicContact CB-CD2 4.2Å; K54-Y65 HydrophobicContact CB-CE2 3.4Å; K54-Y65 VanDerWaalsContact CB-CE2 3.4Å; K54-Y65 HydrophobicContact CD-CE2 4.46Å |
| 55 | R | 92.2 | Very high | 91.7 | Very high | 137 Ų | 137 | 95.6 Ų | 95.6 | 52% | 0.517 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 175.5 | -169.8 | 174.1 | -171.1 | 171.1 | 5.3 | 111.7 | D51 L52 E53 A58 E59 Y65 | D51-R55 VanDerWaalsContact O-CB 3.29Å; D51-R55 WeakPolarHBondContact O-CB 3.35Å; D51-R55 PolarHBondContact O-N 2.76Å; L52-R55 WeakPolarHBondContact O-CB 3.34Å; L52-R55 PolarHBondContact O-N 2.92Å; E53-R55 VanDerWaalsContact C-N 3.28Å; E53-R55 PolarHBondContact O-N 2.87Å; R55-A58 PolarHBondContact O-N 2.95Å; R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 PolarHBondContact O-N 2.92Å; R55-Y65 HydrophobicContact CB-CD1 3.86Å; R55-Y65 HydrophobicContact CB-CE1 4.25Å; R55-Y65 HydrophobicContact CB-CG 4Å; R55-Y65 HydrophobicContact CG-CD1 3.98Å; R55-Y65 HydrophobicContact CG-CG 4.12Å |
| 56 | Q | 92.5 | Very high | 91.5 | Very high | 131 Ų | 131 | 95.4 Ų | 95.4 | 61% | 0.612 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65 | -40.6 | 174.2 | -71.9 | 178.8 | 8.2 | 0 | 0 | 111.6 | L52 E53 E59 S60 | L52-Q56 WeakPolarHBondContact O-CG 3.47Å; L52-Q56 PolarHBondContact O-N 3.23Å; E53-Q56 PolarHBondContact O-N 3.22Å; Q56-E59 PolarHBondContact O-N 3.3Å; Q56-S60 WeakPolarHBondContact O-CB 3.5Å; Q56-S60 PolarHBondContact O-N 3.43Å |
| 57 | E | 92.7 | Very high | 91.1 | Very high | 95 Ų | 95 | 96 Ų | 96 | 44% | 0.444 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 175.2 | -167.7 | -172.6 | 170.1 | 0 | 0 | 111.4 | E53 K54 S60 K61 | E53-E57 WeakPolarHBondContact O-CB 3.44Å; E53-E57 PolarHBondContact O-N 3.35Å; K54-E57 PolarHBondContact O-N 2.91Å; E57-S60 PolarHBondContact O-N 3.42Å; E57-S60 PolarHBondContact O-OG 2.6Å; E57-K61 WeakPolarHBondContact O-CG 3.41Å; E57-K61 PolarHBondContact O-N 3.48Å; E57-K61 VanDerWaalsContact O-N 3.1Å; E57-K61 WeakPolarHBondContact OE1-CE 3.48Å; E57-K61 IonicContact OE1-NZ 2.66Å; E57-K61 PolarHBondContact OE1-NZ 2.92Å |
| 58 | A | 91.5 | Very high | 90.9 | Very high | 7 Ų | 7 | 91.2 Ų | 91.2 | 6% | 0.058 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K54 R55 S60 K61 G62 E63 Y65 | K54-A58 WeakPolarHBondContact O-CB 3.18Å; K54-A58 PolarHBondContact O-N 3.16Å; R55-A58 PolarHBondContact O-N 2.95Å; A58-S60 PolarHBondContact O-N 3.36Å; A58-K61 CarbonylContact O-C 3.55Å; A58-K61 PolarHBondContact O-N 3.49Å; A58-K61 VanDerWaalsContact O-N 3.12Å; A58-G62 PolarHBondContact O-N 2.92Å; A58-E63 CarbonylContact C-O 3.53Å; A58-E63 HydrophobicContact CB-CB 4.48Å; A58-E63 PolarHBondContact O-N 3.41Å; A58-Y65 HydrophobicContact CB-CD2 4.12Å; A58-Y65 HydrophobicContact CB-CG 4.44Å |
| 59 | E | 90.3 | Very high | 90.7 | Very high | 149 Ų | 149 | 91.6 Ų | 91.6 | 70% | 0.696 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 176.5 | -172.4 | 172.2 | -166.5 | 0 | 0 | 111.7 | R55 Q56 K61 G62 | R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 PolarHBondContact O-N 2.92Å; Q56-E59 PolarHBondContact O-N 3.3Å; E59-K61 VanDerWaalsContact C-N 3.25Å; E59-K61 PolarHBondContact O-N 3.23Å; E59-G62 PolarHBondContact O-N 3.22Å |
| 60 | S | 92.6 | Very high | 90.3 | Very high | 101 Ų | 101 | 91.1 Ų | 91.1 | 71% | 0.706 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.1 | -28.6 | 175 | 77.5 | 0 | 0 | 0 | 0 | 113.6 | Q56 E57 A58 G62 | Q56-S60 WeakPolarHBondContact O-CB 3.5Å; Q56-S60 PolarHBondContact O-N 3.43Å; E57-S60 PolarHBondContact O-N 3.42Å; E57-S60 PolarHBondContact O-OG 2.6Å; A58-S60 PolarHBondContact O-N 3.36Å; S60-G62 VanDerWaalsContact C-N 3.35Å |
| 61 | K | 92.3 | Very high | 89.9 | Confident | 123 Ų | 123 | 93.7 Ų | 93.7 | 54% | 0.535 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -85 | -9.7 | 175.3 | -68.8 | 174.6 | -173.6 | 169.2 | 0 | 112.7 | E57 A58 E59 E63 | E57-K61 WeakPolarHBondContact O-CG 3.41Å; E57-K61 PolarHBondContact O-N 3.48Å; E57-K61 VanDerWaalsContact O-N 3.1Å; E57-K61 WeakPolarHBondContact OE1-CE 3.48Å; E57-K61 IonicContact OE1-NZ 2.66Å; E57-K61 PolarHBondContact OE1-NZ 2.92Å; A58-K61 CarbonylContact O-C 3.55Å; A58-K61 PolarHBondContact O-N 3.49Å; A58-K61 VanDerWaalsContact O-N 3.12Å; E59-K61 VanDerWaalsContact C-N 3.25Å; E59-K61 PolarHBondContact O-N 3.23Å; K61-E63 VanDerWaalsContact C-N 3.34Å; K61-E63 HydrophobicContact CB-CG 4.23Å |
| 62 | G | 90.4 | Very high | 89.6 | Confident | 73 Ų | 73 | 98.6 Ų | 98.6 | 75% | 0.753 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 20.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | A58 E59 S60 | A58-G62 PolarHBondContact O-N 2.92Å; E59-G62 PolarHBondContact O-N 3.22Å; S60-G62 VanDerWaalsContact C-N 3.35Å |
| 63 | E | 88.2 | Confident | 89.2 | Confident | 102 Ų | 102 | 96.6 Ų | 96.6 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | trans | -98.7 | 148.4 | 179.2 | -65.1 | -179.8 | 168.5 | 0 | 0 | 111.5 | A58 K61 Y65 V68 | A58-E63 CarbonylContact C-O 3.53Å; A58-E63 HydrophobicContact CB-CB 4.48Å; A58-E63 PolarHBondContact O-N 3.41Å; K61-E63 VanDerWaalsContact C-N 3.34Å; K61-E63 HydrophobicContact CB-CG 4.23Å; E63-Y65 PolarHBondContact O-N 3.45Å; E63-V68 HydrophobicContact CB-CG2 4.06Å; E63-V68 WeakPolarHBondContact OE2-CG2 3.34Å | ||
| 64 | D | 88.9 | Confident | 88.9 | Confident | 82 Ų | 82 | 96.4 Ų | 96.4 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | trans | -78.9 | 107.7 | 170.8 | -179.5 | 3.1 | 0 | 0 | 0 | 110 | D66 Q67 V68 | D64-D66 PolarHBondContact O-N 3.22Å; D64-D66 VanDerWaalsContact O-N 3.16Å; D64-D66 PolarHBondContact OD1-N 2.91Å; D64-D66 VanDerWaalsContact OD1-N 3.17Å; D64-Q67 HydrophobicContact CB-CB 4.29Å; D64-Q67 HydrophobicContact CB-CG 4.11Å; D64-Q67 WeakPolarHBondContact O-CB 3.29Å; D64-Q67 PolarHBondContact O-N 2.83Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.44Å; D64-Q67 PolarHBondContact OD2-NE2 2.98Å; D64-V68 PolarHBondContact O-N 3.4Å; D64-V68 VanDerWaalsContact O-N 3.11Å | ||
| 65 | Y | 89.5 | Confident | 88.5 | Confident | 24 Ų | 24 | 95.3 Ų | 95.3 | 9% | 0.094 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -53.7 | -36 | -178.4 | 179.6 | -118.9 | 0 | 0 | 0 | 113.1 | D51 K54 R55 A58 E63 Q67 V68 K69 | D51-Y65 WeakPolarHBondContact OD1-CE1 3.48Å; D51-Y65 PolarHBondContact OD1-OH 3.43Å; K54-Y65 HydrophobicContact CB-CD2 4.2Å; K54-Y65 HydrophobicContact CB-CE2 3.4Å; K54-Y65 VanDerWaalsContact CB-CE2 3.4Å; K54-Y65 HydrophobicContact CD-CE2 4.46Å; R55-Y65 HydrophobicContact CB-CD1 3.86Å; R55-Y65 HydrophobicContact CB-CE1 4.25Å; R55-Y65 HydrophobicContact CB-CG 4Å; R55-Y65 HydrophobicContact CG-CD1 3.98Å; R55-Y65 HydrophobicContact CG-CG 4.12Å; A58-Y65 HydrophobicContact CB-CD2 4.12Å; A58-Y65 HydrophobicContact CB-CG 4.44Å; E63-Y65 PolarHBondContact O-N 3.45Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.26Å; Y65-V68 PolarHBondContact O-N 2.71Å; Y65-K69 HydrophobicContact CE1-CD 4.07Å; Y65-K69 WeakPolarHBondContact O-CB 3.31Å; Y65-K69 PolarHBondContact O-N 3.38Å |
| 66 | D | 87.1 | Confident | 88.1 | Confident | 90 Ų | 90 | 92.3 Ų | 92.3 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.8 | -35.7 | -179.4 | -76.1 | -26.1 | 0 | 0 | 0 | 111.2 | D64 L70 | D64-D66 PolarHBondContact O-N 3.22Å; D64-D66 VanDerWaalsContact O-N 3.16Å; D64-D66 PolarHBondContact OD1-N 2.91Å; D64-D66 VanDerWaalsContact OD1-N 3.17Å; D66-L70 WeakPolarHBondContact O-CB 3.29Å; D66-L70 WeakPolarHBondContact O-CD1 3.35Å; D66-L70 WeakPolarHBondContact O-CG 3.3Å; D66-L70 PolarHBondContact O-N 2.88Å |
| 67 | Q | 85.5 | Confident | 87.8 | Confident | 123 Ų | 123 | 92.7 Ų | 92.7 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.5 | -46.5 | 174.5 | -67.6 | 179.6 | 47.3 | 0 | 0 | 111.4 | D64 Y65 K69 L70 L71 | D64-Q67 HydrophobicContact CB-CB 4.29Å; D64-Q67 HydrophobicContact CB-CG 4.11Å; D64-Q67 WeakPolarHBondContact O-CB 3.29Å; D64-Q67 PolarHBondContact O-N 2.83Å; D64-Q67 WeakPolarHBondContact OD2-CG 3.44Å; D64-Q67 PolarHBondContact OD2-NE2 2.98Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.26Å; Q67-K69 VanDerWaalsContact C-N 3.27Å; Q67-K69 PolarHBondContact O-N 2.88Å; Q67-L70 PolarHBondContact O-N 3.26Å; Q67-L70 VanDerWaalsContact O-N 3.14Å; Q67-L71 WeakPolarHBondContact O-CG 3.47Å; Q67-L71 PolarHBondContact O-N 2.88Å |
| 68 | V | 87.7 | Confident | 87.4 | Confident | 43 Ų | 43 | 90.3 Ų | 90.3 | 26% | 0.261 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 176.8 | 177.6 | 0 | 0 | 0 | 0 | 111 | E63 D64 Y65 L71 N72 | E63-V68 HydrophobicContact CB-CG2 4.06Å; E63-V68 WeakPolarHBondContact OE2-CG2 3.34Å; D64-V68 PolarHBondContact O-N 3.4Å; D64-V68 VanDerWaalsContact O-N 3.11Å; Y65-V68 PolarHBondContact O-N 2.71Å; V68-L71 PolarHBondContact O-N 3.31Å; V68-N72 PolarHBondContact O-ND2 3.47Å; V68-N72 VanDerWaalsContact O-ND2 3.09Å |
| 69 | K | 87.3 | Confident | 87.1 | Confident | 73 Ų | 73 | 96.3 Ų | 96.3 | 32% | 0.317 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 175.8 | -173.9 | 170.6 | -174.9 | 163.9 | 0 | 111.2 | D51 Y65 Q67 L71 N72 V73 | D51-K69 IonicContact OD1-NZ 2.76Å; D51-K69 PolarHBondContact OD1-NZ 3.44Å; D51-K69 IonicContact OD2-NZ 3.88Å; Y65-K69 HydrophobicContact CE1-CD 4.07Å; Y65-K69 WeakPolarHBondContact O-CB 3.31Å; Y65-K69 PolarHBondContact O-N 3.38Å; Q67-K69 VanDerWaalsContact C-N 3.27Å; Q67-K69 PolarHBondContact O-N 2.88Å; K69-L71 VanDerWaalsContact C-N 3.33Å; K69-L71 PolarHBondContact O-N 3.09Å; K69-N72 PolarHBondContact O-N 3.29Å; K69-V73 WeakPolarHBondContact O-CG2 3.44Å |
| 70 | L | 84.6 | Confident | 86.9 | Confident | 113 Ų | 113 | 96 Ų | 96 | 59% | 0.592 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -34.3 | 178.9 | -75.4 | 168.1 | 0 | 0 | 0 | 113.2 | D66 Q67 N72 V73 | D66-L70 WeakPolarHBondContact O-CB 3.29Å; D66-L70 WeakPolarHBondContact O-CD1 3.35Å; D66-L70 WeakPolarHBondContact O-CG 3.3Å; D66-L70 PolarHBondContact O-N 2.88Å; Q67-L70 PolarHBondContact O-N 3.26Å; Q67-L70 VanDerWaalsContact O-N 3.14Å; L70-N72 PolarHBondContact O-N 3.41Å; L70-V73 PolarHBondContact O-N 3.28Å; L70-V73 VanDerWaalsContact O-N 3.1Å |
| 71 | L | 85.9 | Confident | 86.6 | Confident | 148 Ų | 148 | 93.2 Ų | 93.2 | 78% | 0.775 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.3 | -31.8 | 176.1 | -71.8 | 172 | 0 | 0 | 0 | 112.9 | Q67 V68 K69 V73 | Q67-L71 WeakPolarHBondContact O-CG 3.47Å; Q67-L71 PolarHBondContact O-N 2.88Å; V68-L71 PolarHBondContact O-N 3.31Å; K69-L71 VanDerWaalsContact C-N 3.33Å; K69-L71 PolarHBondContact O-N 3.09Å; L71-V73 VanDerWaalsContact C-N 3.35Å |
| 72 | N | 84.5 | Confident | 86.2 | Confident | 135 Ų | 135 | 91.9 Ų | 91.9 | 72% | 0.722 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -8.7 | 178.2 | -68.8 | -53.1 | 0 | 0 | 0 | 113.5 | V68 K69 L70 | V68-N72 PolarHBondContact O-ND2 3.47Å; V68-N72 VanDerWaalsContact O-ND2 3.09Å; K69-N72 PolarHBondContact O-N 3.29Å; L70-N72 PolarHBondContact O-N 3.41Å |
| 73 | V | 84.7 | Confident | 85.9 | Confident | 47 Ų | 47 | 93.5 Ų | 93.5 | 29% | 0.285 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -86.3 | 118.9 | 178.3 | -172 | 0 | 0 | 0 | 0 | 109.6 | K69 L70 L71 S75 F77 V78 | K69-V73 WeakPolarHBondContact O-CG2 3.44Å; L70-V73 PolarHBondContact O-N 3.28Å; L70-V73 VanDerWaalsContact O-N 3.1Å; L71-V73 VanDerWaalsContact C-N 3.35Å; V73-S75 PolarHBondContact O-N 2.87Å; V73-F77 HydrophobicContact CG1-CB 4.13Å; V73-F77 HydrophobicContact CG1-CD1 3.63Å; V73-F77 HydrophobicContact CG1-CG 4.3Å; V73-V78 HydrophobicContact CB-CG2 4.1Å; V73-V78 HydrophobicContact CG1-CG2 3.5Å |
| 74 | Q | 85.8 | Confident | 85.5 | Confident | 128 Ų | 128 | 93.7 Ų | 93.7 | 60% | 0.598 | 47% | 0.474 | S | S | * | . | trans | -55.5 | 134.9 | 172.3 | -173.5 | 176.3 | -25.6 | 0 | 0 | 111 | D76 F77 V78 | Q74-D76 HydrophobicContact CG-CB 4.33Å; Q74-D76 PolarHBondContact NE2-OD2 3.43Å; Q74-D76 PolarHBondContact O-N 2.95Å; Q74-D76 VanDerWaalsContact O-N 3.16Å; Q74-F77 WeakPolarHBondContact O-CB 3.35Å; Q74-F77 PolarHBondContact O-N 2.89Å; Q74-V78 PolarHBondContact O-N 3.43Å | ||
| 75 | S | 83.9 | Confident | 85.2 | Confident | 77 Ų | 77 | 96.2 Ų | 96.2 | 54% | 0.538 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -49.4 | -43.7 | -179.9 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | V73 F77 V78 E79 | V73-S75 PolarHBondContact O-N 2.87Å; S75-F77 PolarHBondContact O-N 2.89Å; S75-V78 WeakPolarHBondContact O-CB 3.36Å; S75-V78 PolarHBondContact O-N 3.21Å; S75-V78 VanDerWaalsContact O-N 3.08Å; S75-E79 PolarHBondContact O-N 3.45Å |
| 76 | D | 85.6 | Confident | 84.8 | Confident | 74 Ų | 74 | 103.5 Ų | 103.5 | 40% | 0.396 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -34.3 | -179.2 | -57.2 | -21.2 | 0 | 0 | 0 | 112.5 | Q74 K80 | Q74-D76 HydrophobicContact CG-CB 4.33Å; Q74-D76 PolarHBondContact NE2-OD2 3.43Å; Q74-D76 PolarHBondContact O-N 2.95Å; Q74-D76 VanDerWaalsContact O-N 3.16Å; D76-K80 WeakPolarHBondContact O-CB 3.49Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.48Å |
| 77 | F | 85.1 | Confident | 84.2 | Confident | 140 Ų | 140 | 105.4 Ų | 105.4 | 61% | 0.614 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.1 | -40.5 | 177 | -175.8 | -94.4 | 0 | 0 | 0 | 111.1 | V73 Q74 S75 K80 S81 | V73-F77 HydrophobicContact CG1-CB 4.13Å; V73-F77 HydrophobicContact CG1-CD1 3.63Å; V73-F77 HydrophobicContact CG1-CG 4.3Å; Q74-F77 WeakPolarHBondContact O-CB 3.35Å; Q74-F77 PolarHBondContact O-N 2.89Å; S75-F77 PolarHBondContact O-N 2.89Å; F77-K80 PolarHBondContact O-N 3.47Å; F77-S81 WeakPolarHBondContact O-CB 3.39Å; F77-S81 PolarHBondContact O-N 3.35Å |
| 78 | V | 83.9 | Confident | 83.8 | Confident | 45 Ų | 45 | 107.6 Ų | 107.6 | 27% | 0.273 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | V73 Q74 S75 K80 S81 Q82 | V73-V78 HydrophobicContact CB-CG2 4.1Å; V73-V78 HydrophobicContact CG1-CG2 3.5Å; Q74-V78 PolarHBondContact O-N 3.43Å; S75-V78 WeakPolarHBondContact O-CB 3.36Å; S75-V78 PolarHBondContact O-N 3.21Å; S75-V78 VanDerWaalsContact O-N 3.08Å; V78-K80 PolarHBondContact O-N 3.5Å; V78-S81 PolarHBondContact O-N 3.02Å; V78-Q82 HydrophobicContact CG1-CG 4.33Å; V78-Q82 WeakPolarHBondContact O-CB 3.46Å; V78-Q82 VanDerWaalsContact O-CG 3.31Å; V78-Q82 WeakPolarHBondContact O-CG 3.39Å; V78-Q82 PolarHBondContact O-N 3.47Å |
| 79 | E | 85.6 | Confident | 83.3 | Confident | 133 Ų | 133 | 113.9 Ų | 113.9 | 62% | 0.621 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.7 | -47.3 | 178.9 | -72 | -171.1 | 176.3 | 0 | 0 | 112.1 | S75 S81 Q82 Q83 | S75-E79 PolarHBondContact O-N 3.45Å; E79-S81 PolarHBondContact O-N 3.39Å; E79-Q82 PolarHBondContact O-N 3.43Å; E79-Q83 WeakPolarHBondContact O-CB 3.36Å; E79-Q83 PolarHBondContact O-N 2.89Å |
| 80 | K | 85.8 | Confident | 83.1 | Confident | 142 Ų | 142 | 114.8 Ų | 114.8 | 62% | 0.617 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.8 | -45.7 | 176 | -74.8 | 173.1 | -174.8 | 173.3 | 0 | 111.3 | D76 F77 V78 Q83 M84 | D76-K80 WeakPolarHBondContact O-CB 3.49Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.48Å; F77-K80 PolarHBondContact O-N 3.47Å; V78-K80 PolarHBondContact O-N 3.5Å; K80-Q83 PolarHBondContact O-N 3Å; K80-M84 WeakPolarHBondContact O-CB 3.48Å; K80-M84 VanDerWaalsContact O-CG 3.24Å; K80-M84 WeakPolarHBondContact O-CG 3.4Å; K80-M84 PolarHBondContact O-N 3.06Å |
| 81 | S | 86.2 | Confident | 83.2 | Confident | 42 Ų | 42 | 113.3 Ų | 113.3 | 29% | 0.294 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 178 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | F77 V78 E79 Q83 M84 K85 | F77-S81 WeakPolarHBondContact O-CB 3.39Å; F77-S81 PolarHBondContact O-N 3.35Å; V78-S81 PolarHBondContact O-N 3.02Å; E79-S81 PolarHBondContact O-N 3.39Å; S81-Q83 PolarHBondContact O-N 2.95Å; S81-M84 PolarHBondContact O-N 3.41Å; S81-K85 WeakPolarHBondContact O-CG 3.37Å; S81-K85 PolarHBondContact O-N 3.18Å |
| 82 | Q | 85.3 | Confident | 83.2 | Confident | 95 Ų | 95 | 110.8 Ų | 110.8 | 44% | 0.444 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 174.8 | -72.2 | -171.6 | 29 | 0 | 0 | 111.8 | V78 E79 M84 K85 R86 | V78-Q82 HydrophobicContact CG1-CG 4.33Å; V78-Q82 WeakPolarHBondContact O-CB 3.46Å; V78-Q82 VanDerWaalsContact O-CG 3.31Å; V78-Q82 WeakPolarHBondContact O-CG 3.39Å; V78-Q82 PolarHBondContact O-N 3.47Å; E79-Q82 PolarHBondContact O-N 3.43Å; Q82-M84 VanDerWaalsContact C-N 3.34Å; Q82-M84 PolarHBondContact O-N 3.41Å; Q82-K85 PolarHBondContact O-N 3.42Å; Q82-R86 VanDerWaalsContact O-CG 3.29Å; Q82-R86 WeakPolarHBondContact O-CG 3.45Å; Q82-R86 PolarHBondContact O-N 3.32Å |
| 83 | Q | 82.8 | Confident | 83.4 | Confident | 107 Ų | 107 | 110.9 Ų | 110.9 | 50% | 0.5 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 176.7 | -165.3 | -169.2 | 72.1 | 0 | 0 | 111.4 | E79 K80 S81 R86 K87 | E79-Q83 WeakPolarHBondContact O-CB 3.36Å; E79-Q83 PolarHBondContact O-N 2.89Å; K80-Q83 PolarHBondContact O-N 3Å; S81-Q83 PolarHBondContact O-N 2.95Å; Q83-R86 WeakPolarHBondContact O-CB 3.43Å; Q83-R86 PolarHBondContact O-N 2.94Å; Q83-K87 WeakPolarHBondContact O-CG 3.44Å; Q83-K87 PolarHBondContact O-N 3.47Å |
| 84 | M | 80.7 | Confident | 83.5 | Confident | 106 Ų | 106 | 110.5 Ų | 110.5 | 52% | 0.522 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 176.4 | -67.9 | -62.8 | -90.6 | 0 | 0 | 111.6 | K80 S81 Q82 R86 K87 K88 | K80-M84 WeakPolarHBondContact O-CB 3.48Å; K80-M84 VanDerWaalsContact O-CG 3.24Å; K80-M84 WeakPolarHBondContact O-CG 3.4Å; K80-M84 PolarHBondContact O-N 3.06Å; S81-M84 PolarHBondContact O-N 3.41Å; Q82-M84 VanDerWaalsContact C-N 3.34Å; Q82-M84 PolarHBondContact O-N 3.41Å; M84-R86 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 3.21Å; M84-K87 PolarHBondContact O-N 2.93Å; M84-K87 HydrophobicContact SD-CD 4.21Å; M84-K88 WeakPolarHBondContact O-CG 3.49Å; M84-K88 PolarHBondContact O-N 2.88Å |
| 85 | K | 83 | Confident | 83.8 | Confident | 136 Ų | 136 | 110.5 Ų | 110.5 | 59% | 0.591 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.6 | -42.1 | 172.6 | -72.3 | 177.5 | -175.9 | -177.5 | 0 | 111.3 | S81 Q82 K88 K89 | S81-K85 WeakPolarHBondContact O-CG 3.37Å; S81-K85 PolarHBondContact O-N 3.18Å; Q82-K85 PolarHBondContact O-N 3.42Å; K85-K88 PolarHBondContact O-N 3.23Å; K85-K89 PolarHBondContact O-N 3.22Å |
| 86 | R | 79.7 | Confident | 84.1 | Confident | 177 Ų | 177 | 110.4 Ų | 110.4 | 67% | 0.668 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 175.4 | -72 | 174 | -175.4 | -166.6 | 4.6 | 112.1 | Q82 Q83 M84 K88 K89 | Q82-R86 VanDerWaalsContact O-CG 3.29Å; Q82-R86 WeakPolarHBondContact O-CG 3.45Å; Q82-R86 PolarHBondContact O-N 3.32Å; Q83-R86 WeakPolarHBondContact O-CB 3.43Å; Q83-R86 PolarHBondContact O-N 2.94Å; M84-R86 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 3.21Å; R86-K88 VanDerWaalsContact C-N 3.35Å; R86-K88 PolarHBondContact O-N 2.86Å; R86-K89 WeakPolarHBondContact O-CB 3.34Å; R86-K89 PolarHBondContact O-N 2.86Å |
| 87 | K | 75.4 | Confident | 84.6 | Confident | 129 Ų | 129 | 110.2 Ų | 110.2 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.2 | -40.6 | 176.2 | -72.1 | 174.6 | -175.6 | 169.6 | 0 | 112 | Q83 M84 K89 N90 | Q83-K87 WeakPolarHBondContact O-CG 3.44Å; Q83-K87 PolarHBondContact O-N 3.47Å; M84-K87 PolarHBondContact O-N 2.93Å; M84-K87 HydrophobicContact SD-CD 4.21Å; K87-K89 PolarHBondContact O-N 2.99Å; K87-N90 PolarHBondContact O-N 3.26Å |
| 88 | K | 76.5 | Confident | 85.1 | Confident | 169 Ų | 169 | 112 Ų | 112 | 74% | 0.735 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.7 | -18.3 | 176.2 | -70.5 | -177.8 | -178.9 | -173.4 | 0 | 113.8 | M84 K85 R86 | M84-K88 WeakPolarHBondContact O-CG 3.49Å; M84-K88 PolarHBondContact O-N 2.88Å; K85-K88 PolarHBondContact O-N 3.23Å; R86-K88 VanDerWaalsContact C-N 3.35Å; R86-K88 PolarHBondContact O-N 2.86Å |
| 89 | K | 78.1 | Confident | 85.7 | Confident | 175 Ų | 175 | 116.1 Ų | 116.1 | 76% | 0.761 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -13.2 | 179.1 | -68.4 | -175.5 | 178.9 | -169.4 | 0 | 114.6 | K85 R86 K87 P91 | K85-K89 PolarHBondContact O-N 3.22Å; R86-K89 WeakPolarHBondContact O-CB 3.34Å; R86-K89 PolarHBondContact O-N 2.86Å; K87-K89 PolarHBondContact O-N 2.99Å; K89-P91 WeakPolarHBondContact O-CD 3.37Å |
| 90 | N | 82.2 | Confident | 86.1 | Confident | 92 Ų | 92 | 111.6 Ų | 111.6 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -124.9 | 59.2 | 178.1 | -169.1 | 16.8 | 0 | 0 | 0 | 111.6 | K87 | K87-N90 PolarHBondContact O-N 3.26Š|
| 91 | P | 87.1 | Confident | 86.4 | Confident | 82 Ų | 82 | 108.5 Ų | 108.5 | 53% | 0.532 | 55% | 0.546 | S | S | . | . | trans | -64.3 | 154.5 | 178 | 31 | -34.4 | 0 | 0 | 0 | 110.5 | K89 V93 | K89-P91 WeakPolarHBondContact O-CD 3.37Å; P91-V93 PolarHBondContact O-N 2.9Å | ||
| 92 | D | 85.8 | Confident | 86.8 | Confident | 96 Ų | 96 | 110.6 Ų | 110.6 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | trans | -78.1 | 117.4 | 169 | -156.3 | -33.7 | 0 | 0 | 0 | 108.8 | G94 R104 | D92-G94 PolarHBondContact O-N 2.93Å; D92-G94 PolarHBondContact OD1-N 3.4Å; D92-G94 VanDerWaalsContact OD1-N 3.09Å; D92-R104 IonicContact OD1-NH1 3.63Å; D92-R104 IonicContact OD2-CZ 2.69Å; D92-R104 IonicContact OD2-NH1 2.6Å; D92-R104 PolarHBondContact OD2-NH1 3.34Å; D92-R104 IonicContact OD2-NH2 3.31Å | ||
| 93 | V | 87.6 | Confident | 87.2 | Confident | 136 Ų | 136 | 111 Ų | 111 | 82% | 0.824 | 56% | 0.561 | S | S | * | * | trans | -82.1 | -1.6 | 179.9 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | P91 | P91-V93 PolarHBondContact O-N 2.9Š| ||
| 94 | G | 87.6 | Confident | 87.7 | Confident | 40 Ų | 40 | 110.8 Ų | 110.8 | 41% | 0.412 | 56% | 0.556 | S | S | . | * | trans | 95.2 | 175.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D92 S96 | D92-G94 PolarHBondContact O-N 2.93Å; D92-G94 PolarHBondContact OD1-N 3.4Å; D92-G94 VanDerWaalsContact OD1-N 3.09Å; G94-S96 PolarHBondContact O-N 3.21Å | ||
| 95 | F | 91.9 | Very high | 88.3 | Confident | 127 Ų | 127 | 110 Ų | 110 | 56% | 0.557 | 55% | 0.551 | S | S | * | * | trans | -74.2 | 122.4 | 179.1 | 178.7 | -104.2 | 0 | 0 | 0 | 110.7 | Y98 M101 | F95-Y98 HydrophobicContact CE2-CD1 4.01Å; F95-Y98 HydrophobicContact CE2-CE1 4.01Å; F95-Y98 HydrophobicContact CE2-CG 4.36Å; F95-Y98 HydrophobicContact CZ-CD1 4.22Å; F95-Y98 HydrophobicContact CZ-CD2 4.18Å; F95-Y98 HydrophobicContact CZ-CE1 4.04Å; F95-Y98 HydrophobicContact CZ-CE2 4.01Å; F95-Y98 HydrophobicContact CZ-CG 4.29Å; F95-Y98 AromaticContact CZ-CZ 3.94Å; F95-M101 HydrophobicContact CD2-CG 3.9Å; F95-M101 HydrophobicContact CD2-SD 3.3Å; F95-M101 WeakPolarHBondContact CD2-SD 3.3Å; F95-M101 HydrophobicContact CE2-CG 4.13Å; F95-M101 HydrophobicContact CE2-SD 3.49Å; F95-M101 WeakPolarHBondContact CE2-SD 3.32Å | ||
| 96 | S | 91.2 | Very high | 88.8 | Confident | 75 Ų | 75 | 110.3 Ų | 110.3 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | trans | -109.6 | -71.1 | 170.6 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | G94 A100 | G94-S96 PolarHBondContact O-N 3.21Å; S96-A100 WeakPolarHBondContact OG-CB 3.35Å | ||
| 97 | T | 96 | Very high | 89.5 | Confident | 70 Ų | 70 | 105.1 Ų | 105.1 | 43% | 0.429 | 54% | 0.535 | S | S | . | . | trans | -134.8 | 158.1 | 177 | 64.5 | 0 | 0 | 0 | 0 | 110.6 | D99 A100 M101 | T97-D99 PolarHBondContact O-N 2.97Å; T97-A100 PolarHBondContact O-N 2.98Å; T97-A100 WeakPolarHBondContact OG1-CB 3.49Å; T97-A100 PolarHBondContact OG1-N 3.2Å; T97-M101 PolarHBondContact O-N 3.44Å; T97-M101 VanDerWaalsContact O-N 3.1Å | ||
| 98 | Y | 95.1 | Very high | 90.3 | Very high | 178 Ų | 178 | 102.8 Ų | 102.8 | 70% | 0.698 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62 | -33.8 | 174.6 | -70.1 | -71.2 | 0 | 0 | 0 | 111.8 | F95 M101 T102 | F95-Y98 HydrophobicContact CE2-CD1 4.01Å; F95-Y98 HydrophobicContact CE2-CE1 4.01Å; F95-Y98 HydrophobicContact CE2-CG 4.36Å; F95-Y98 HydrophobicContact CZ-CD1 4.22Å; F95-Y98 HydrophobicContact CZ-CD2 4.18Å; F95-Y98 HydrophobicContact CZ-CE1 4.04Å; F95-Y98 HydrophobicContact CZ-CE2 4.01Å; F95-Y98 HydrophobicContact CZ-CG 4.29Å; F95-Y98 AromaticContact CZ-CZ 3.94Å; Y98-M101 PolarHBondContact O-N 2.99Å; Y98-T102 WeakPolarHBondContact O-CB 3.31Å; Y98-T102 PolarHBondContact O-N 3.14Å; Y98-T102 PolarHBondContact O-OG1 3.22Å |
| 99 | D | 95.8 | Very high | 91.2 | Very high | 131 Ų | 131 | 96 Ų | 96 | 70% | 0.701 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | 176.2 | -59.2 | -27.9 | 0 | 0 | 0 | 111.6 | T97 M101 T102 L103 | T97-D99 PolarHBondContact O-N 2.97Å; D99-M101 PolarHBondContact O-N 2.93Å; D99-T102 PolarHBondContact O-N 3.13Å; D99-L103 WeakPolarHBondContact O-CB 3.29Å; D99-L103 PolarHBondContact O-N 2.82Å |
| 100 | A | 94.8 | Very high | 91.9 | Very high | 38 Ų | 38 | 90.1 Ų | 90.1 | 31% | 0.314 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | S96 T97 T102 R104 | S96-A100 WeakPolarHBondContact OG-CB 3.35Å; T97-A100 PolarHBondContact O-N 2.98Å; T97-A100 WeakPolarHBondContact OG1-CB 3.49Å; T97-A100 PolarHBondContact OG1-N 3.2Å; A100-T102 VanDerWaalsContact C-N 3.35Å; A100-R104 WeakPolarHBondContact O-CB 3.39Å; A100-R104 PolarHBondContact O-N 3.16Å |
| 101 | M | 92.3 | Very high | 92.4 | Very high | 78 Ų | 78 | 95.2 Ų | 95.2 | 38% | 0.384 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 172.6 | -75.4 | -165.9 | 80.7 | 0 | 0 | 111.9 | F95 T97 Y98 D99 R104 Q105 F167 | F95-M101 HydrophobicContact CD2-CG 3.9Å; F95-M101 HydrophobicContact CD2-SD 3.3Å; F95-M101 WeakPolarHBondContact CD2-SD 3.3Å; F95-M101 HydrophobicContact CE2-CG 4.13Å; F95-M101 HydrophobicContact CE2-SD 3.49Å; F95-M101 WeakPolarHBondContact CE2-SD 3.32Å; T97-M101 PolarHBondContact O-N 3.44Å; T97-M101 VanDerWaalsContact O-N 3.1Å; Y98-M101 PolarHBondContact O-N 2.99Å; D99-M101 PolarHBondContact O-N 2.93Å; M101-R104 PolarHBondContact O-N 3.13Å; M101-Q105 WeakPolarHBondContact O-CB 3.41Å; M101-Q105 PolarHBondContact O-N 3.21Å; M101-F167 HydrophobicContact CE-CE2 4.15Å; M101-F167 HydrophobicContact CE-CZ 4.08Å |
| 102 | T | 93.7 | Very high | 92.5 | Very high | 86 Ų | 86 | 95.9 Ų | 95.9 | 53% | 0.528 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | -179.1 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | Y98 D99 A100 R104 Q105 Y106 | Y98-T102 WeakPolarHBondContact O-CB 3.31Å; Y98-T102 PolarHBondContact O-N 3.14Å; Y98-T102 PolarHBondContact O-OG1 3.22Å; D99-T102 PolarHBondContact O-N 3.13Å; A100-T102 VanDerWaalsContact C-N 3.35Å; T102-R104 VanDerWaalsContact C-N 3.34Å; T102-R104 PolarHBondContact O-N 2.89Å; T102-Q105 PolarHBondContact O-N 3.03Å; T102-Y106 VanDerWaalsContact O-CB 3.29Å; T102-Y106 WeakPolarHBondContact O-CB 3.49Å; T102-Y106 PolarHBondContact O-N 3.41Å |
| 103 | L | 94.6 | Very high | 92.8 | Very high | 102 Ų | 102 | 97 Ų | 97 | 53% | 0.534 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 175 | -178.4 | 63 | 0 | 0 | 0 | 111.8 | D99 Y106 N107 | D99-L103 WeakPolarHBondContact O-CB 3.29Å; D99-L103 PolarHBondContact O-N 2.82Å; L103-Y106 PolarHBondContact O-N 3.48Å; L103-N107 WeakPolarHBondContact O-CB 3.42Å; L103-N107 VanDerWaalsContact O-CG 3.27Å; L103-N107 PolarHBondContact O-N 3.34Å; L103-N107 PolarHBondContact O-ND2 3Å |
| 104 | R | 92.3 | Very high | 93 | Very high | 104 Ų | 104 | 99.7 Ų | 99.7 | 39% | 0.392 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 175.8 | -173.6 | 175.2 | -179 | -120.6 | 7.4 | 111.7 | D92 A100 M101 T102 R108 | D92-R104 IonicContact OD1-NH1 3.63Å; D92-R104 IonicContact OD2-CZ 2.69Å; D92-R104 IonicContact OD2-NH1 2.6Å; D92-R104 PolarHBondContact OD2-NH1 3.34Å; D92-R104 IonicContact OD2-NH2 3.31Å; A100-R104 WeakPolarHBondContact O-CB 3.39Å; A100-R104 PolarHBondContact O-N 3.16Å; M101-R104 PolarHBondContact O-N 3.13Å; T102-R104 VanDerWaalsContact C-N 3.34Å; T102-R104 PolarHBondContact O-N 2.89Å; R104-R108 PolarHBondContact O-N 3.34Å; R104-R108 VanDerWaalsContact O-N 3.13Å |
| 105 | Q | 92.9 | Very high | 93.2 | Very high | 88 Ų | 88 | 102 Ų | 102 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 174.1 | 170.5 | 173.8 | -12.6 | 0 | 0 | 111.2 | M101 T102 R108 L109 | M101-Q105 WeakPolarHBondContact O-CB 3.41Å; M101-Q105 PolarHBondContact O-N 3.21Å; T102-Q105 PolarHBondContact O-N 3.03Å; Q105-R108 WeakPolarHBondContact O-CB 3.33Å; Q105-R108 PolarHBondContact O-N 3.25Å; Q105-R108 VanDerWaalsContact O-N 3.14Å; Q105-L109 HydrophobicContact CG-CD1 3.82Å; Q105-L109 HydrophobicContact CG-CG 4.37Å; Q105-L109 WeakPolarHBondContact O-CG 3.44Å; Q105-L109 PolarHBondContact O-N 3.17Å |
| 106 | Y | 94.8 | Very high | 93.1 | Very high | 143 Ų | 143 | 99.3 Ų | 99.3 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.4 | -53 | 178.6 | 176 | -103.2 | 0 | 0 | 0 | 110.9 | T102 L103 R108 L109 T110 | T102-Y106 VanDerWaalsContact O-CB 3.29Å; T102-Y106 WeakPolarHBondContact O-CB 3.49Å; T102-Y106 PolarHBondContact O-N 3.41Å; L103-Y106 PolarHBondContact O-N 3.48Å; Y106-R108 PolarHBondContact O-N 3.47Å; Y106-R108 VanDerWaalsContact O-N 3.16Å; Y106-L109 PolarHBondContact O-N 2.9Å; Y106-T110 HydrophobicContact CD1-CG2 4.08Å; Y106-T110 HydrophobicContact CD2-CG2 3.99Å; Y106-T110 HydrophobicContact CE1-CG2 3.67Å; Y106-T110 HydrophobicContact CE2-CG2 3.57Å; Y106-T110 HydrophobicContact CG-CG2 4.23Å; Y106-T110 WeakPolarHBondContact O-CG2 3.32Å; Y106-T110 PolarHBondContact O-N 3.16Å; Y106-T110 PolarHBondContact O-OG1 3.34Å; Y106-T110 VanDerWaalsContact O-OG1 3.13Å |
| 107 | N | 94 | Very high | 93.2 | Very high | 68 Ų | 68 | 102 Ų | 102 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.1 | -31.4 | 176.8 | -74.3 | -29.1 | 0 | 0 | 0 | 113.3 | L103 T110 R111 | L103-N107 WeakPolarHBondContact O-CB 3.42Å; L103-N107 VanDerWaalsContact O-CG 3.27Å; L103-N107 PolarHBondContact O-N 3.34Å; L103-N107 PolarHBondContact O-ND2 3Å; N107-T110 WeakPolarHBondContact CA-OG1 3.4Å; N107-T110 PolarHBondContact O-OG1 3.15Å; N107-R111 WeakPolarHBondContact O-CB 3.44Å; N107-R111 WeakPolarHBondContact O-CD 3.43Å; N107-R111 WeakPolarHBondContact O-CG 3.49Å; N107-R111 PolarHBondContact O-N 2.88Å |
| 108 | R | 92 | Very high | 93 | Very high | 81 Ų | 81 | 103.8 Ų | 103.8 | 31% | 0.306 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.3 | -45 | 173.8 | -179.9 | -173.1 | 58.2 | 67.9 | -1.7 | 111.2 | R104 Q105 Y106 Q112 | R104-R108 PolarHBondContact O-N 3.34Å; R104-R108 VanDerWaalsContact O-N 3.13Å; Q105-R108 WeakPolarHBondContact O-CB 3.33Å; Q105-R108 PolarHBondContact O-N 3.25Å; Q105-R108 VanDerWaalsContact O-N 3.14Å; Y106-R108 PolarHBondContact O-N 3.47Å; Y106-R108 VanDerWaalsContact O-N 3.16Å; R108-Q112 WeakPolarHBondContact O-CG 3.29Å; R108-Q112 PolarHBondContact O-N 3.26Å |
| 109 | L | 94.5 | Very high | 92.7 | Very high | 26 Ų | 26 | 97.8 Ų | 97.8 | 14% | 0.136 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -67.4 | -45.7 | -179.5 | -68.7 | 170.7 | 0 | 0 | 0 | 111.1 | Q105 Y106 R111 Q112 L113 Q160 | Q105-L109 HydrophobicContact CG-CD1 3.82Å; Q105-L109 HydrophobicContact CG-CG 4.37Å; Q105-L109 WeakPolarHBondContact O-CG 3.44Å; Q105-L109 PolarHBondContact O-N 3.17Å; Y106-L109 PolarHBondContact O-N 2.9Å; L109-R111 VanDerWaalsContact C-N 3.26Å; L109-R111 PolarHBondContact O-N 2.88Å; L109-Q112 WeakPolarHBondContact O-CA 3.21Å; L109-Q112 WeakPolarHBondContact O-CB 3.5Å; L109-Q112 PolarHBondContact O-N 3.35Å; L109-L113 WeakPolarHBondContact O-CG 3.35Å; L109-L113 PolarHBondContact O-N 3.34Å; L109-L113 VanDerWaalsContact O-N 3.09Å; L109-Q160 HydrophobicContact CD1-CG 4.44Å; L109-Q160 HydrophobicContact CD2-CG 3.92Å |
| 110 | T | 94.2 | Very high | 92.5 | Very high | 51 Ų | 51 | 96.6 Ų | 96.6 | 31% | 0.313 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.8 | -35.4 | 177.9 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | Y106 N107 Q112 | Y106-T110 HydrophobicContact CD1-CG2 4.08Å; Y106-T110 HydrophobicContact CD2-CG2 3.99Å; Y106-T110 HydrophobicContact CE1-CG2 3.67Å; Y106-T110 HydrophobicContact CE2-CG2 3.57Å; Y106-T110 HydrophobicContact CG-CG2 4.23Å; Y106-T110 WeakPolarHBondContact O-CG2 3.32Å; Y106-T110 PolarHBondContact O-N 3.16Å; Y106-T110 PolarHBondContact O-OG1 3.34Å; Y106-T110 VanDerWaalsContact O-OG1 3.13Å; N107-T110 WeakPolarHBondContact CA-OG1 3.4Å; N107-T110 PolarHBondContact O-OG1 3.15Å; T110-Q112 VanDerWaalsContact C-N 3.28Å; T110-Q112 PolarHBondContact O-N 2.96Å |
| 111 | R | 91.7 | Very high | 92.4 | Very high | 199 Ų | 199 | 101.5 Ų | 101.5 | 75% | 0.751 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -69.2 | -22.6 | 172.7 | -74 | 174.2 | -179 | -173.5 | 1.4 | 114.1 | N107 L109 | N107-R111 WeakPolarHBondContact O-CB 3.44Å; N107-R111 WeakPolarHBondContact O-CD 3.43Å; N107-R111 WeakPolarHBondContact O-CG 3.49Å; N107-R111 PolarHBondContact O-N 2.88Å; L109-R111 VanDerWaalsContact C-N 3.26Å; L109-R111 PolarHBondContact O-N 2.88Å |
| 112 | Q | 90.5 | Very high | 92.3 | Very high | 97 Ų | 97 | 105.5 Ų | 105.5 | 45% | 0.453 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -88.8 | -23.5 | -179.7 | -72.4 | 178 | -24.6 | 0 | 0 | 112.2 | R108 L109 T110 K114 | R108-Q112 WeakPolarHBondContact O-CG 3.29Å; R108-Q112 PolarHBondContact O-N 3.26Å; L109-Q112 WeakPolarHBondContact O-CA 3.21Å; L109-Q112 WeakPolarHBondContact O-CB 3.5Å; L109-Q112 PolarHBondContact O-N 3.35Å; T110-Q112 VanDerWaalsContact C-N 3.28Å; T110-Q112 PolarHBondContact O-N 2.96Å; Q112-K114 PolarHBondContact O-N 2.89Å |
| 113 | L | 91.6 | Very high | 92.1 | Very high | 118 Ų | 118 | 103.9 Ų | 103.9 | 62% | 0.618 | 47% | 0.465 | S | S | * | . | trans | -63.5 | 128.5 | 176 | -67.3 | 172.3 | 0 | 0 | 0 | 110.7 | L109 | L109-L113 WeakPolarHBondContact O-CG 3.35Å; L109-L113 PolarHBondContact O-N 3.34Å; L109-L113 VanDerWaalsContact O-N 3.09Å | ||
| 114 | K | 91.2 | Very high | 91.9 | Very high | 193 Ų | 193 | 102.8 Ų | 102.8 | 84% | 0.839 | 46% | 0.456 | S | S | * | . | trans | -113.7 | 104.1 | 171.4 | -66.7 | -178.1 | -177.9 | 178.7 | 0 | 107.9 | Q112 | Q112-K114 PolarHBondContact O-N 2.89Š| ||
| 115 | P | 91.7 | Very high | 91.8 | Very high | 90 Ų | 90 | 104.2 Ų | 104.2 | 58% | 0.584 | 47% | 0.471 | S | S | * | . | trans | -68.1 | 140.8 | -179.1 | 27.6 | -33.4 | 0 | 0 | 0 | 110.9 | F117 | P115-F117 HydrophobicContact CG-CE1 4.29Å; P115-F117 HydrophobicContact CG-CE2 4.25Å; P115-F117 HydrophobicContact CG-CZ 3.9Å; P115-F117 PolarHBondContact O-N 3.38Å | ||
| 116 | D | 91 | Very high | 91.6 | Very high | 69 Ų | 69 | 107.5 Ų | 107.5 | 37% | 0.369 | 49% | 0.485 | S | S | . | . | trans | -85.2 | 105.9 | 170.1 | -175.8 | -19 | 0 | 0 | 0 | 109 | E118 E119 Y120 | D116-E118 VanDerWaalsContact C-N 3.3Å; D116-E118 PolarHBondContact O-N 3.05Å; D116-E118 PolarHBondContact OD1-N 3.34Å; D116-E119 HydrophobicContact CB-CB 3.97Å; D116-E119 PolarHBondContact OD1-N 3.02Å; D116-E119 VanDerWaalsContact OD1-N 3.16Å; D116-Y120 WeakPolarHBondContact O-CB 3.42Å; D116-Y120 PolarHBondContact O-N 3.47Å | ||
| 117 | F | 92.9 | Very high | 91.2 | Very high | 132 Ų | 132 | 102.1 Ų | 102.1 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.7 | -23.3 | -177.9 | -68.3 | -70.3 | 0 | 0 | 0 | 113.3 | P115 R121 | P115-F117 HydrophobicContact CG-CE1 4.29Å; P115-F117 HydrophobicContact CG-CE2 4.25Å; P115-F117 HydrophobicContact CG-CZ 3.9Å; P115-F117 PolarHBondContact O-N 3.38Å; F117-R121 WeakPolarHBondContact O-CB 3.4Å; F117-R121 WeakPolarHBondContact O-CG 3.47Å; F117-R121 PolarHBondContact O-N 2.86Å |
| 118 | E | 92.3 | Very high | 90.8 | Very high | 107 Ų | 107 | 100.8 Ų | 100.8 | 50% | 0.5 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -78.1 | -42.4 | 177.8 | -67.4 | -57.2 | 145.6 | 0 | 0 | 111 | D116 Y120 R121 R122 | D116-E118 VanDerWaalsContact C-N 3.3Å; D116-E118 PolarHBondContact O-N 3.05Å; D116-E118 PolarHBondContact OD1-N 3.34Å; E118-Y120 VanDerWaalsContact C-N 3.32Å; E118-R121 PolarHBondContact O-N 3.26Å; E118-R121 IonicContact OE1-CZ 3.97Å; E118-R121 IonicContact OE1-NH1 2.95Å; E118-R121 PolarHBondContact OE1-NH1 3.27Å; E118-R122 WeakPolarHBondContact O-CG 3.25Å; E118-R122 PolarHBondContact O-N 3.46Å |
| 119 | E | 88.7 | Confident | 90.5 | Very high | 52 Ų | 52 | 106 Ų | 106 | 24% | 0.243 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 169.4 | -171.4 | 171.8 | -158.6 | 0 | 0 | 111.1 | D116 R121 R122 M123 R152 | D116-E119 HydrophobicContact CB-CB 3.97Å; D116-E119 PolarHBondContact OD1-N 3.02Å; D116-E119 VanDerWaalsContact OD1-N 3.16Å; E119-R121 PolarHBondContact O-N 2.92Å; E119-R122 PolarHBondContact O-N 2.89Å; E119-M123 WeakPolarHBondContact O-CB 3.35Å; E119-M123 PolarHBondContact O-N 3.1Å; E119-R152 IonicContact OE2-CZ 3.96Å; E119-R152 IonicContact OE2-NH2 2.92Å; E119-R152 PolarHBondContact OE2-NH2 3.46Å |
| 120 | Y | 91.1 | Very high | 90.2 | Very high | 106 Ų | 106 | 109.5 Ų | 109.5 | 42% | 0.416 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 174.9 | 174.8 | -90.4 | 0 | 0 | 0 | 112.8 | D116 E118 M123 K124 F131 | D116-Y120 WeakPolarHBondContact O-CB 3.42Å; D116-Y120 PolarHBondContact O-N 3.47Å; E118-Y120 VanDerWaalsContact C-N 3.32Å; Y120-M123 PolarHBondContact O-N 3.38Å; Y120-K124 HydrophobicContact CE1-CD 4.37Å; Y120-K124 WeakPolarHBondContact O-CB 3.27Å; Y120-K124 PolarHBondContact O-N 3.03Å; Y120-F131 AromaticContact CD2-CZ 3.93Å; Y120-F131 HydrophobicContact CD2-CZ 3.93Å; Y120-F131 AromaticContact CE2-CE1 3.87Å; Y120-F131 HydrophobicContact CE2-CE1 3.87Å; Y120-F131 AromaticContact CE2-CZ 3.38Å; Y120-F131 HydrophobicContact CE2-CZ 3.38Å; Y120-F131 AromaticContact CZ-CE1 3.79Å; Y120-F131 AromaticContact CZ-CZ 3.7Å |
| 121 | R | 93.4 | Very high | 89.9 | Confident | 141 Ų | 141 | 108.9 Ų | 108.9 | 53% | 0.532 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 178.1 | -77.5 | 169.8 | -177.8 | 172.8 | -1.9 | 112.2 | F117 E118 E119 K124 N125 | F117-R121 WeakPolarHBondContact O-CB 3.4Å; F117-R121 WeakPolarHBondContact O-CG 3.47Å; F117-R121 PolarHBondContact O-N 2.86Å; E118-R121 PolarHBondContact O-N 3.26Å; E118-R121 IonicContact OE1-CZ 3.97Å; E118-R121 IonicContact OE1-NH1 2.95Å; E118-R121 PolarHBondContact OE1-NH1 3.27Å; E119-R121 PolarHBondContact O-N 2.92Å; R121-K124 PolarHBondContact O-N 2.9Å; R121-N125 VanDerWaalsContact O-CG 3.29Å; R121-N125 PolarHBondContact O-N 3.48Å |
| 122 | R | 90.2 | Very high | 89.8 | Confident | 163 Ų | 163 | 106.2 Ų | 106.2 | 62% | 0.615 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.4 | -46.7 | 176.2 | -74.9 | -174.9 | -67.4 | 161.5 | 0.6 | 111.4 | E118 E119 N125 F126 | E118-R122 WeakPolarHBondContact O-CG 3.25Å; E118-R122 PolarHBondContact O-N 3.46Å; E119-R122 PolarHBondContact O-N 2.89Å; R122-N125 PolarHBondContact O-N 3.06Å; R122-F126 WeakPolarHBondContact O-CB 3.23Å; R122-F126 PolarHBondContact O-N 2.86Å |
| 123 | M | 87.9 | Confident | 89.7 | Confident | 51 Ų | 51 | 105 Ų | 105 | 25% | 0.251 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.8 | -171.8 | 60.8 | 64 | 0 | 0 | 111.8 | E119 Y120 N125 F126 L127 F131 | E119-M123 WeakPolarHBondContact O-CB 3.35Å; E119-M123 PolarHBondContact O-N 3.1Å; Y120-M123 PolarHBondContact O-N 3.38Å; M123-N125 PolarHBondContact O-N 2.98Å; M123-F126 PolarHBondContact O-N 3.12Å; M123-L127 HydrophobicContact CG-CD1 3.99Å; M123-L127 PolarHBondContact O-N 2.96Å; M123-L127 HydrophobicContact SD-CD1 3.82Å; M123-L127 HydrophobicContact SD-CG 4.14Å; M123-F131 HydrophobicContact CB-CE2 4.4Å; M123-F131 HydrophobicContact CG-CD2 4.45Å; M123-F131 HydrophobicContact CG-CE2 4.13Å |
| 124 | K | 90.7 | Very high | 89.7 | Confident | 79 Ų | 79 | 103 Ų | 103 | 34% | 0.343 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 176 | -177.7 | 172.2 | 175.8 | 170.5 | 0 | 112.7 | Y120 R121 G128 F131 Y132 | Y120-K124 HydrophobicContact CE1-CD 4.37Å; Y120-K124 WeakPolarHBondContact O-CB 3.27Å; Y120-K124 PolarHBondContact O-N 3.03Å; R121-K124 PolarHBondContact O-N 2.9Å; K124-G128 PolarHBondContact O-N 3.39Å; K124-F131 VanDerWaalsContact CA-CD2 3.43Å; K124-F131 HydrophobicContact CB-CD1 4.3Å; K124-F131 HydrophobicContact CB-CD2 3.93Å; K124-F131 HydrophobicContact CB-CE1 4.29Å; K124-F131 HydrophobicContact CB-CE2 3.92Å; K124-F131 HydrophobicContact CB-CG 4.12Å; K124-F131 HydrophobicContact CB-CZ 4.11Å; K124-F131 HydrophobicContact CD-CD1 4.27Å; K124-F131 HydrophobicContact CD-CE1 4.29Å; K124-F131 HydrophobicContact CG-CD1 3.96Å; K124-F131 HydrophobicContact CG-CD2 4.33Å; K124-F131 HydrophobicContact CG-CE1 4.25Å; K124-F131 HydrophobicContact CG-CG 4Å; K124-Y132 PolarHBondContact NZ-OH 2.92Å |
| 125 | N | 91 | Very high | 89.7 | Confident | 134 Ų | 134 | 101 Ų | 101 | 72% | 0.717 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.3 | -34.6 | 177.3 | -69.1 | -14.5 | 0 | 0 | 0 | 112.4 | R121 R122 M123 | R121-N125 VanDerWaalsContact O-CG 3.29Å; R121-N125 PolarHBondContact O-N 3.48Å; R122-N125 PolarHBondContact O-N 3.06Å; M123-N125 PolarHBondContact O-N 2.98Å |
| 126 | F | 87.7 | Confident | 89.5 | Confident | 157 Ų | 157 | 103.7 Ų | 103.7 | 69% | 0.689 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.5 | -45.1 | 178.3 | 179.6 | -103.1 | 0 | 0 | 0 | 112.4 | R122 M123 | R122-F126 WeakPolarHBondContact O-CB 3.23Å; R122-F126 PolarHBondContact O-N 2.86Å; M123-F126 PolarHBondContact O-N 3.12Å |
| 127 | L | 86.5 | Confident | 89.2 | Confident | 30 Ų | 30 | 102.9 Ų | 102.9 | 16% | 0.157 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -84.2 | -21.8 | -178.1 | -66.7 | 175 | 0 | 0 | 0 | 113.8 | M123 E129 E130 F131 I139 A142 | M123-L127 HydrophobicContact CG-CD1 3.99Å; M123-L127 PolarHBondContact O-N 2.96Å; M123-L127 HydrophobicContact SD-CD1 3.82Å; M123-L127 HydrophobicContact SD-CG 4.14Å; L127-E129 PolarHBondContact O-N 2.82Å; L127-E129 VanDerWaalsContact O-N 3.15Å; L127-E130 PolarHBondContact O-N 3.41Å; L127-F131 HydrophobicContact CB-CB 4.01Å; L127-F131 HydrophobicContact CB-CD2 4.37Å; L127-F131 HydrophobicContact CD1-CD2 4.11Å; L127-I139 HydrophobicContact CD2-CG2 4.18Å; L127-A142 HydrophobicContact CD2-CB 3.83Å |
| 128 | G | 86.7 | Confident | 88.9 | Confident | 41 Ų | 41 | 102.8 Ų | 102.8 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | 59.1 | -117.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K124 F131 | K124-G128 PolarHBondContact O-N 3.39Å; G128-F131 VanDerWaalsContact O-CB 3.29Å; G128-F131 WeakPolarHBondContact O-CB 3.45Å; G128-F131 PolarHBondContact O-N 3.17Å |
| 129 | E | 86.2 | Confident | 88.3 | Confident | 189 Ų | 189 | 100.2 Ų | 100.2 | 88% | 0.883 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -71.4 | -31.1 | 178.8 | -63.5 | -170.8 | 168.3 | 0 | 0 | 112.7 | L127 F131 Y132 | L127-E129 PolarHBondContact O-N 2.82Å; L127-E129 VanDerWaalsContact O-N 3.15Å; E129-F131 PolarHBondContact O-N 3.31Å; E129-F131 VanDerWaalsContact O-N 3.15Å; E129-Y132 PolarHBondContact O-N 3.42Å |
| 130 | E | 86.6 | Confident | 87.5 | Confident | 101 Ų | 101 | 104.8 Ų | 104.8 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -69.8 | -9.7 | 178.6 | -61.9 | -173.1 | 171 | 0 | 0 | 112.9 | L127 Y132 P133 | L127-E130 PolarHBondContact O-N 3.41Å; E130-Y132 PolarHBondContact O-N 3.3Å; E130-Y132 VanDerWaalsContact O-N 3.16Å; E130-P133 WeakPolarHBondContact O-CD 3.39Å |
| 131 | F | 88.5 | Confident | 86.3 | Confident | 37 Ų | 37 | 105.8 Ų | 105.8 | 16% | 0.162 | 53% | 0.531 | C | S | . | . | G | 310 helix | trans | -60.3 | -24.3 | 176.2 | -172.6 | -99.8 | 0 | 0 | 0 | 113.1 | Y120 M123 K124 L127 G128 E129 P133 | Y120-F131 AromaticContact CD2-CZ 3.93Å; Y120-F131 HydrophobicContact CD2-CZ 3.93Å; Y120-F131 AromaticContact CE2-CE1 3.87Å; Y120-F131 HydrophobicContact CE2-CE1 3.87Å; Y120-F131 AromaticContact CE2-CZ 3.38Å; Y120-F131 HydrophobicContact CE2-CZ 3.38Å; Y120-F131 AromaticContact CZ-CE1 3.79Å; Y120-F131 AromaticContact CZ-CZ 3.7Å; M123-F131 HydrophobicContact CB-CE2 4.4Å; M123-F131 HydrophobicContact CG-CD2 4.45Å; M123-F131 HydrophobicContact CG-CE2 4.13Å; K124-F131 VanDerWaalsContact CA-CD2 3.43Å; K124-F131 HydrophobicContact CB-CD1 4.3Å; K124-F131 HydrophobicContact CB-CD2 3.93Å; K124-F131 HydrophobicContact CB-CE1 4.29Å; K124-F131 HydrophobicContact CB-CE2 3.92Å; K124-F131 HydrophobicContact CB-CG 4.12Å; K124-F131 HydrophobicContact CB-CZ 4.11Å; K124-F131 HydrophobicContact CD-CD1 4.27Å; K124-F131 HydrophobicContact CD-CE1 4.29Å; K124-F131 HydrophobicContact CG-CD1 3.96Å; K124-F131 HydrophobicContact CG-CD2 4.33Å; K124-F131 HydrophobicContact CG-CE1 4.25Å; K124-F131 HydrophobicContact CG-CG 4Å; L127-F131 HydrophobicContact CB-CB 4.01Å; L127-F131 HydrophobicContact CB-CD2 4.37Å; L127-F131 HydrophobicContact CD1-CD2 4.11Å; G128-F131 VanDerWaalsContact O-CB 3.29Å; G128-F131 WeakPolarHBondContact O-CB 3.45Å; G128-F131 PolarHBondContact O-N 3.17Å; E129-F131 PolarHBondContact O-N 3.31Å; E129-F131 VanDerWaalsContact O-N 3.15Å; F131-P133 WeakPolarHBondContact O-CD 3.37Å |
| 132 | Y | 89.8 | Confident | 85 | Confident | 144 Ų | 144 | 100.2 Ų | 100.2 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -111.8 | 72.6 | 176.9 | -59.8 | -69.3 | 0 | 0 | 0 | 110.3 | K124 E129 E130 | K124-Y132 PolarHBondContact NZ-OH 2.92Å; E129-Y132 PolarHBondContact O-N 3.42Å; E130-Y132 PolarHBondContact O-N 3.3Å; E130-Y132 VanDerWaalsContact O-N 3.16Å |
| 133 | P | 89 | Confident | 84.3 | Confident | 72 Ų | 72 | 98 Ų | 98 | 47% | 0.468 | 51% | 0.511 | S | S | . | . | trans | -68.3 | 141.4 | -175.1 | 27.8 | -34.2 | 0 | 0 | 0 | 111.8 | E130 F131 T137 I139 | E130-P133 WeakPolarHBondContact O-CD 3.39Å; F131-P133 WeakPolarHBondContact O-CD 3.37Å; P133-T137 HydrophobicContact CB-CG2 4.04Å; P133-I139 HydrophobicContact CB-CD1 4.04Å; P133-I139 HydrophobicContact CG-CD1 4.11Å | ||
| 134 | S | 90.3 | Very high | 83.9 | Confident | 75 Ų | 75 | 104.3 Ų | 104.3 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | trans | -83.5 | 170.5 | 160.5 | 69.4 | 0 | 0 | 0 | 0 | 110.3 | N136 T137 | S134-N136 PolarHBondContact O-N 3.43Å; S134-T137 PolarHBondContact N-OG1 3.23Å; S134-T137 WeakPolarHBondContact O-CB 3.36Å; S134-T137 PolarHBondContact O-N 2.9Å; S134-T137 PolarHBondContact O-OG1 3.4Å; S134-T137 PolarHBondContact OG-OG1 2.77Å | ||
| 135 | V | 90.9 | Very high | 83.7 | Confident | 150 Ų | 150 | 103.4 Ų | 103.4 | 91% | 0.909 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -28 | 178.2 | -177.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 136 | N | 89 | Confident | 83.6 | Confident | 148 Ų | 148 | 100 Ų | 100 | 79% | 0.791 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 3.6 | -176.9 | -57.9 | -26.9 | 0 | 0 | 0 | 113.9 | S134 L138 | S134-N136 PolarHBondContact O-N 3.43Å; N136-L138 PolarHBondContact O-N 3.43Å |
| 137 | T | 85.1 | Confident | 83.8 | Confident | 52 Ų | 52 | 98.3 Ų | 98.3 | 32% | 0.319 | 52% | 0.521 | S | S | . | . | trans | -82.9 | 110.6 | -179 | -52 | 0 | 0 | 0 | 0 | 109 | P133 S134 I139 | P133-T137 HydrophobicContact CB-CG2 4.04Å; S134-T137 PolarHBondContact N-OG1 3.23Å; S134-T137 WeakPolarHBondContact O-CB 3.36Å; S134-T137 PolarHBondContact O-N 2.9Å; S134-T137 PolarHBondContact O-OG1 3.4Å; S134-T137 PolarHBondContact OG-OG1 2.77Å; T137-I139 HydrophobicContact CG2-CG1 4.26Å; T137-I139 PolarHBondContact O-N 2.99Å | ||
| 138 | L | 84.8 | Confident | 84.1 | Confident | 129 Ų | 129 | 104.5 Ų | 104.5 | 68% | 0.675 | 55% | 0.546 | S | S | * | . | trans | -89.2 | 102.2 | 178.3 | -177.2 | 63.4 | 0 | 0 | 0 | 109.4 | N136 Q140 | N136-L138 PolarHBondContact O-N 3.43Å; L138-Q140 HydrophobicContact CD1-CG 4.36Å; L138-Q140 HydrophobicContact CD2-CG 3.82Å; L138-Q140 VanDerWaalsContact CD2-NE2 3.3Å; L138-Q140 HydrophobicContact CG-CG 3.68Å; L138-Q140 PolarHBondContact O-N 3.3Å | ||
| 139 | I | 80 | Confident | 84.3 | Confident | 54 Ų | 54 | 103.7 Ų | 103.7 | 28% | 0.277 | 54% | 0.536 | S | S | . | . | trans | -90 | 99.3 | 172.2 | -43.9 | 177.8 | 0 | 0 | 0 | 107.8 | L127 P133 T137 A142 | L127-I139 HydrophobicContact CD2-CG2 4.18Å; P133-I139 HydrophobicContact CB-CD1 4.04Å; P133-I139 HydrophobicContact CG-CD1 4.11Å; T137-I139 HydrophobicContact CG2-CG1 4.26Å; T137-I139 PolarHBondContact O-N 2.99Å; I139-A142 HydrophobicContact CB-CB 4.3Å; I139-A142 HydrophobicContact CG2-CB 3.11Å | ||
| 140 | Q | 71.7 | Confident | 84.7 | Confident | 147 Ų | 147 | 98.3 Ų | 98.3 | 69% | 0.687 | 51% | 0.512 | S | S | * | . | trans | -81.8 | 135.4 | 176.9 | -59 | -171 | -36 | 0 | 0 | 110 | L138 A142 | L138-Q140 HydrophobicContact CD1-CG 4.36Å; L138-Q140 HydrophobicContact CD2-CG 3.82Å; L138-Q140 VanDerWaalsContact CD2-NE2 3.3Å; L138-Q140 HydrophobicContact CG-CG 3.68Å; L138-Q140 PolarHBondContact O-N 3.3Å; Q140-A142 PolarHBondContact O-N 3.22Å | ||
| 141 | D | 67.5 | Low | 85.2 | Confident | 128 Ų | 128 | 98.4 Ų | 98.4 | 68% | 0.684 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 57.3 | 15.7 | 172 | -55.2 | -30.5 | 0 | 0 | 0 | 117.8 | H143 Y144 | D141-H143 PolarHBondContact O-N 2.81Å; D141-Y144 HydrophobicContact CB-CE2 4.47Å |
| 142 | A | 65.3 | Low | 85.4 | Confident | 24 Ų | 24 | 102.5 Ų | 102.5 | 20% | 0.198 | 53% | 0.53 | C | S | . | . | trans | -75 | -20.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | L127 I139 Q140 | L127-A142 HydrophobicContact CD2-CB 3.83Å; I139-A142 HydrophobicContact CB-CB 4.3Å; I139-A142 HydrophobicContact CG2-CB 3.11Å; Q140-A142 PolarHBondContact O-N 3.22Å | ||
| 143 | H | 75 | Confident | 85.6 | Confident | 115 Ų | 115 | 101 Ų | 101 | 53% | 0.532 | 53% | 0.531 | S | S | . | . | trans | -139.8 | 94 | -170.1 | -168.8 | -73.6 | 0 | 0 | 0 | 113.2 | D141 P145 | D141-H143 PolarHBondContact O-N 2.81Å; H143-P145 WeakPolarHBondContact O-CD 3.3Å | ||
| 144 | Y | 80.2 | Confident | 86 | Confident | 184 Ų | 184 | 100.7 Ų | 100.7 | 72% | 0.722 | 53% | 0.528 | S | S | * | . | trans | -91.6 | 109.2 | 159 | -63.7 | -81.3 | 0 | 0 | 0 | 108 | D141 S146 | D141-Y144 HydrophobicContact CB-CE2 4.47Å; Y144-S146 PolarHBondContact O-N 3.46Å | ||
| 145 | P | 85.1 | Confident | 86.3 | Confident | 60 Ų | 60 | 102.7 Ų | 102.7 | 39% | 0.39 | 53% | 0.529 | S | S | . | . | trans | -58.9 | 135.8 | 176.8 | 23.9 | -30.9 | 0 | 0 | 0 | 109.2 | H143 A149 I150 | H143-P145 WeakPolarHBondContact O-CD 3.3Å; P145-A149 HydrophobicContact CB-CB 4.26Å; P145-I150 HydrophobicContact CB-CG1 4.05Å; P145-I150 HydrophobicContact CG-CD1 4.13Å; P145-I150 HydrophobicContact CG-CG1 3.99Å | ||
| 146 | S | 89.4 | Confident | 86.5 | Confident | 64 Ų | 64 | 97.6 Ų | 97.6 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | trans | -59 | 148.1 | 168.6 | 176 | 0 | 0 | 0 | 0 | 109.9 | Y144 K148 A149 I150 | Y144-S146 PolarHBondContact O-N 3.46Å; S146-K148 PolarHBondContact O-N 3.44Å; S146-K148 VanDerWaalsContact O-N 3.08Å; S146-A149 WeakPolarHBondContact O-CA 3.24Å; S146-A149 VanDerWaalsContact O-CB 3.32Å; S146-A149 WeakPolarHBondContact O-CB 3.48Å; S146-A149 PolarHBondContact O-N 2.86Å; S146-I150 PolarHBondContact O-N 3.45Å; S146-I150 VanDerWaalsContact O-N 3.17Å | ||
| 147 | D | 93.2 | Very high | 86.8 | Confident | 121 Ų | 121 | 93.7 Ų | 93.7 | 65% | 0.647 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -48.6 | -39.2 | 173.9 | -60.4 | -24.4 | 0 | 0 | 0 | 111.9 | A149 I150 D151 | D147-A149 VanDerWaalsContact C-N 3.3Å; D147-A149 PolarHBondContact O-N 2.91Å; D147-I150 WeakPolarHBondContact O-CB 3.38Å; D147-I150 PolarHBondContact O-N 2.85Å; D147-I150 VanDerWaalsContact O-N 3.12Å; D147-D151 VanDerWaalsContact O-CG 3.3Å; D147-D151 PolarHBondContact O-N 3.18Å |
| 148 | K | 92.2 | Very high | 87.4 | Confident | 160 Ų | 160 | 96.7 Ų | 96.7 | 70% | 0.696 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.1 | -35 | 175.6 | -64.6 | -174.9 | -179.5 | -179.6 | 0 | 113.5 | S146 R152 | S146-K148 PolarHBondContact O-N 3.44Å; S146-K148 VanDerWaalsContact O-N 3.08Å; K148-R152 WeakPolarHBondContact O-CG 3.45Å; K148-R152 PolarHBondContact O-N 3.19Å; K148-R152 VanDerWaalsContact O-N 3.09Å |
| 149 | A | 91.6 | Very high | 87.8 | Confident | 24 Ų | 24 | 94 Ų | 94 | 20% | 0.198 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -71.9 | -37.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P145 S146 D147 L153 | P145-A149 HydrophobicContact CB-CB 4.26Å; S146-A149 WeakPolarHBondContact O-CA 3.24Å; S146-A149 VanDerWaalsContact O-CB 3.32Å; S146-A149 WeakPolarHBondContact O-CB 3.48Å; S146-A149 PolarHBondContact O-N 2.86Å; D147-A149 VanDerWaalsContact C-N 3.3Å; D147-A149 PolarHBondContact O-N 2.91Å; A149-L153 PolarHBondContact O-N 2.87Å; A149-L153 VanDerWaalsContact O-N 3.16Å |
| 150 | I | 94.4 | Very high | 88.5 | Confident | 75 Ų | 75 | 93.9 Ų | 93.9 | 39% | 0.385 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 173.3 | -58 | 175 | 0 | 0 | 0 | 109.8 | P145 S146 D147 R152 L153 V154 | P145-I150 HydrophobicContact CB-CG1 4.05Å; P145-I150 HydrophobicContact CG-CD1 4.13Å; P145-I150 HydrophobicContact CG-CG1 3.99Å; S146-I150 PolarHBondContact O-N 3.45Å; S146-I150 VanDerWaalsContact O-N 3.17Å; D147-I150 WeakPolarHBondContact O-CB 3.38Å; D147-I150 PolarHBondContact O-N 2.85Å; D147-I150 VanDerWaalsContact O-N 3.12Å; I150-R152 VanDerWaalsContact C-N 3.35Å; I150-R152 PolarHBondContact O-N 3.46Å; I150-L153 WeakPolarHBondContact O-CB 3.33Å; I150-L153 PolarHBondContact O-N 2.98Å; I150-L153 VanDerWaalsContact O-N 3.07Å; I150-V154 HydrophobicContact CG2-CG2 4.27Å; I150-V154 WeakPolarHBondContact O-CG2 3.49Å; I150-V154 PolarHBondContact O-N 3.46Å |
| 151 | D | 95.9 | Very high | 89.6 | Confident | 103 Ų | 103 | 92.4 Ų | 92.4 | 55% | 0.551 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -58.7 | -44.2 | 178.3 | -69.7 | -24.7 | 0 | 0 | 0 | 112 | D147 L153 V154 E155 | D147-D151 VanDerWaalsContact O-CG 3.3Å; D147-D151 PolarHBondContact O-N 3.18Å; D151-L153 VanDerWaalsContact C-N 3.3Å; D151-L153 PolarHBondContact O-N 3.02Å; D151-V154 PolarHBondContact O-N 3.43Å; D151-E155 WeakPolarHBondContact O-CB 3.3Å; D151-E155 PolarHBondContact O-N 3.27Å |
| 152 | R | 93.3 | Very high | 90.9 | Very high | 123 Ų | 123 | 91.1 Ų | 91.1 | 46% | 0.464 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.6 | -42 | 174.3 | -77.4 | -173.2 | -65.1 | -179.9 | -2 | 112.1 | E119 K148 I150 D156 | E119-R152 IonicContact OE2-CZ 3.96Å; E119-R152 IonicContact OE2-NH2 2.92Å; E119-R152 PolarHBondContact OE2-NH2 3.46Å; K148-R152 WeakPolarHBondContact O-CG 3.45Å; K148-R152 PolarHBondContact O-N 3.19Å; K148-R152 VanDerWaalsContact O-N 3.09Å; I150-R152 VanDerWaalsContact C-N 3.35Å; I150-R152 PolarHBondContact O-N 3.46Å; R152-D156 PolarHBondContact O-N 3Å; R152-D156 VanDerWaalsContact O-N 3.1Å |
| 153 | L | 93.9 | Very high | 92.1 | Very high | 112 Ų | 112 | 94 Ų | 94 | 59% | 0.586 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.2 | -45.2 | 177.7 | 175.8 | 68.8 | 0 | 0 | 0 | 111.1 | A149 I150 D151 E155 D156 V157 | A149-L153 PolarHBondContact O-N 2.87Å; A149-L153 VanDerWaalsContact O-N 3.16Å; I150-L153 WeakPolarHBondContact O-CB 3.33Å; I150-L153 PolarHBondContact O-N 2.98Å; I150-L153 VanDerWaalsContact O-N 3.07Å; D151-L153 VanDerWaalsContact C-N 3.3Å; D151-L153 PolarHBondContact O-N 3.02Å; L153-E155 VanDerWaalsContact C-N 3.32Å; L153-E155 PolarHBondContact O-N 2.89Å; L153-D156 PolarHBondContact O-N 3.12Å; L153-V157 HydrophobicContact CD1-CG2 4.45Å; L153-V157 WeakPolarHBondContact O-CG2 3.38Å; L153-V157 PolarHBondContact O-N 3.4Å |
| 154 | V | 96.9 | Very high | 92.9 | Very high | 66 Ų | 66 | 98.5 Ų | 98.5 | 40% | 0.4 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 178.6 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | I150 D151 V157 H158 | I150-V154 HydrophobicContact CG2-CG2 4.27Å; I150-V154 WeakPolarHBondContact O-CG2 3.49Å; I150-V154 PolarHBondContact O-N 3.46Å; D151-V154 PolarHBondContact O-N 3.43Å; V154-V157 PolarHBondContact O-N 3.28Å; V154-H158 PolarHBondContact O-CD2 3.38Å; V154-H158 PolarHBondContact O-N 3.43Å |
| 155 | E | 96.2 | Very high | 93.4 | Very high | 118 Ų | 118 | 93.9 Ų | 93.9 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.7 | -47.7 | 175.3 | -167.7 | -173.2 | 168.5 | 0 | 0 | 111.6 | D151 L153 V157 H158 Q159 | D151-E155 WeakPolarHBondContact O-CB 3.3Å; D151-E155 PolarHBondContact O-N 3.27Å; L153-E155 VanDerWaalsContact C-N 3.32Å; L153-E155 PolarHBondContact O-N 2.89Å; E155-V157 VanDerWaalsContact C-N 3.34Å; E155-V157 PolarHBondContact O-N 3.34Å; E155-H158 PolarHBondContact O-N 3.02Å; E155-Q159 WeakPolarHBondContact O-CG 3.17Å; E155-Q159 PolarHBondContact O-N 3.47Å; E155-Q159 PolarHBondContact OE1-NE2 2.91Å |
| 156 | D | 95 | Very high | 93.7 | Very high | 42 Ų | 42 | 97 Ų | 97 | 23% | 0.225 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 177.5 | -175.9 | 58.1 | 0 | 0 | 0 | 111.8 | R152 L153 H158 Q159 Q160 | R152-D156 PolarHBondContact O-N 3Å; R152-D156 VanDerWaalsContact O-N 3.1Å; L153-D156 PolarHBondContact O-N 3.12Å; D156-H158 PolarHBondContact O-N 2.94Å; D156-Q159 PolarHBondContact O-N 2.74Å; D156-Q160 WeakPolarHBondContact O-CB 3.43Å; D156-Q160 VanDerWaalsContact O-CG 3.26Å; D156-Q160 WeakPolarHBondContact O-CG 3.5Å; D156-Q160 PolarHBondContact O-N 3.09Å; D156-Q160 PolarHBondContact OD2-NE2 2.8Å |
| 157 | V | 96 | Very high | 93.5 | Very high | 66 Ų | 66 | 100.8 Ų | 100.8 | 40% | 0.4 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L153 V154 E155 Q159 Q160 M161 | L153-V157 HydrophobicContact CD1-CG2 4.45Å; L153-V157 WeakPolarHBondContact O-CG2 3.38Å; L153-V157 PolarHBondContact O-N 3.4Å; V154-V157 PolarHBondContact O-N 3.28Å; E155-V157 VanDerWaalsContact C-N 3.34Å; E155-V157 PolarHBondContact O-N 3.34Å; V157-Q159 PolarHBondContact O-N 3.07Å; V157-Q160 WeakPolarHBondContact O-CB 3.4Å; V157-Q160 PolarHBondContact O-N 3.49Å; V157-M161 HydrophobicContact CG1-SD 4.29Å; V157-M161 WeakPolarHBondContact O-CG 3.46Å; V157-M161 PolarHBondContact O-N 3.41Å |
| 158 | H | 97 | Very high | 93.1 | Very high | 116 Ų | 116 | 105.6 Ų | 105.6 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.3 | -76 | -55.4 | 0 | 0 | 0 | 112.2 | V154 E155 D156 Q160 M161 E162 | V154-H158 PolarHBondContact O-CD2 3.38Å; V154-H158 PolarHBondContact O-N 3.43Å; E155-H158 PolarHBondContact O-N 3.02Å; D156-H158 PolarHBondContact O-N 2.94Å; H158-Q160 VanDerWaalsContact C-N 3.3Å; H158-Q160 PolarHBondContact O-N 2.91Å; H158-M161 PolarHBondContact O-N 3.48Å; H158-E162 PolarHBondContact O-N 3.38Å |
| 159 | Q | 94.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 108.8 Ų | 108.8 | 34% | 0.341 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 174.9 | -68.7 | -178.8 | 25.9 | 0 | 0 | 112.1 | E155 D156 V157 K163 | E155-Q159 WeakPolarHBondContact O-CG 3.17Å; E155-Q159 PolarHBondContact O-N 3.47Å; E155-Q159 PolarHBondContact OE1-NE2 2.91Å; D156-Q159 PolarHBondContact O-N 2.74Å; V157-Q159 PolarHBondContact O-N 3.07Å; Q159-K163 WeakPolarHBondContact O-CB 3.46Å; Q159-K163 WeakPolarHBondContact O-CG 3.33Å; Q159-K163 PolarHBondContact O-N 3.09Å |
| 160 | Q | 94.2 | Very high | 92.3 | Very high | 50 Ų | 50 | 113.5 Ų | 113.5 | 23% | 0.234 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 174.5 | -72.2 | -174.7 | 49.8 | 0 | 0 | 111.6 | L109 D156 V157 H158 K163 R164 | L109-Q160 HydrophobicContact CD1-CG 4.44Å; L109-Q160 HydrophobicContact CD2-CG 3.92Å; D156-Q160 WeakPolarHBondContact O-CB 3.43Å; D156-Q160 VanDerWaalsContact O-CG 3.26Å; D156-Q160 WeakPolarHBondContact O-CG 3.5Å; D156-Q160 PolarHBondContact O-N 3.09Å; D156-Q160 PolarHBondContact OD2-NE2 2.8Å; V157-Q160 WeakPolarHBondContact O-CB 3.4Å; V157-Q160 PolarHBondContact O-N 3.49Å; H158-Q160 VanDerWaalsContact C-N 3.3Å; H158-Q160 PolarHBondContact O-N 2.91Å; Q160-K163 PolarHBondContact O-N 3.1Å; Q160-R164 WeakPolarHBondContact O-CB 3.33Å; Q160-R164 PolarHBondContact O-N 3.46Å |
| 161 | M | 94.4 | Very high | 91.8 | Very high | 117 Ų | 117 | 120.9 Ų | 120.9 | 58% | 0.576 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.9 | -43.5 | 175.5 | -71 | 176.7 | 68.5 | 0 | 0 | 111.9 | V157 H158 R164 S165 | V157-M161 HydrophobicContact CG1-SD 4.29Å; V157-M161 WeakPolarHBondContact O-CG 3.46Å; V157-M161 PolarHBondContact O-N 3.41Å; H158-M161 PolarHBondContact O-N 3.48Å; M161-R164 PolarHBondContact O-N 2.81Å; M161-S165 PolarHBondContact O-N 3.19Å |
| 162 | E | 94.4 | Very high | 91.3 | Very high | 101 Ų | 101 | 124.1 Ų | 124.1 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.2 | -41.5 | 177.6 | -165.6 | -165.4 | 172.9 | 0 | 0 | 112 | H158 R164 S165 K166 | H158-E162 PolarHBondContact O-N 3.38Å; E162-R164 VanDerWaalsContact C-N 3.3Å; E162-R164 PolarHBondContact O-N 2.88Å; E162-S165 PolarHBondContact O-N 3.46Å; E162-S165 PolarHBondContact O-OG 3.24Å; E162-K166 WeakPolarHBondContact O-CG 3.43Å; E162-K166 PolarHBondContact O-N 3.19Å; E162-K166 WeakPolarHBondContact OE1-CE 3.27Å; E162-K166 IonicContact OE1-NZ 2.64Å; E162-K166 PolarHBondContact OE1-NZ 3.32Å |
| 163 | K | 91.9 | Very high | 90.9 | Very high | 84 Ų | 84 | 123.5 Ų | 123.5 | 37% | 0.365 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.6 | -39.3 | 173.1 | -76 | 172.9 | -176.3 | 154.2 | 0 | 111.4 | Q159 Q160 K166 F167 | Q159-K163 WeakPolarHBondContact O-CB 3.46Å; Q159-K163 WeakPolarHBondContact O-CG 3.33Å; Q159-K163 PolarHBondContact O-N 3.09Å; Q160-K163 PolarHBondContact O-N 3.1Å; K163-K166 PolarHBondContact O-N 3.14Å; K163-F167 PolarHBondContact O-N 2.88Å |
| 164 | R | 91.3 | Very high | 90.6 | Very high | 210 Ų | 210 | 122.4 Ų | 122.4 | 79% | 0.792 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.9 | -39.2 | 178.1 | -174.3 | 177.1 | 175.1 | -175 | -1.5 | 112 | Q160 M161 E162 K166 F167 | Q160-R164 WeakPolarHBondContact O-CB 3.33Å; Q160-R164 PolarHBondContact O-N 3.46Å; M161-R164 PolarHBondContact O-N 2.81Å; E162-R164 VanDerWaalsContact C-N 3.3Å; E162-R164 PolarHBondContact O-N 2.88Å; R164-K166 VanDerWaalsContact C-N 3.28Å; R164-K166 PolarHBondContact O-N 3.49Å; R164-F167 WeakPolarHBondContact O-CB 3.37Å; R164-F167 PolarHBondContact O-N 2.64Å; R164-F167 VanDerWaalsContact O-N 3.17Å |
| 165 | S | 91.1 | Very high | 90.2 | Very high | 86 Ų | 86 | 123.5 Ų | 123.5 | 60% | 0.601 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.8 | -36 | 176.8 | 72.1 | 0 | 0 | 0 | 0 | 111.6 | M161 E162 F167 | M161-S165 PolarHBondContact O-N 3.19Å; E162-S165 PolarHBondContact O-N 3.46Å; E162-S165 PolarHBondContact O-OG 3.24Å; S165-F167 VanDerWaalsContact C-N 3.3Å; S165-F167 PolarHBondContact O-N 2.91Å |
| 166 | K | 90.4 | Very high | 89.9 | Confident | 126 Ų | 126 | 124.9 Ų | 124.9 | 55% | 0.548 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -4.1 | 176.2 | -65.2 | 174.8 | -173.4 | 173.7 | 0 | 114.8 | E162 K163 R164 R168 | E162-K166 WeakPolarHBondContact O-CG 3.43Å; E162-K166 PolarHBondContact O-N 3.19Å; E162-K166 WeakPolarHBondContact OE1-CE 3.27Å; E162-K166 IonicContact OE1-NZ 2.64Å; E162-K166 PolarHBondContact OE1-NZ 3.32Å; K163-K166 PolarHBondContact O-N 3.14Å; R164-K166 VanDerWaalsContact C-N 3.28Å; R164-K166 PolarHBondContact O-N 3.49Å; K166-R168 PolarHBondContact O-N 2.98Å |
| 167 | F | 86.4 | Confident | 89.6 | Confident | 143 Ų | 143 | 124.9 Ų | 124.9 | 63% | 0.627 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -37.6 | 179.1 | -178.8 | -102.9 | 0 | 0 | 0 | 111.8 | M101 K163 R164 S165 | M101-F167 HydrophobicContact CE-CE2 4.15Å; M101-F167 HydrophobicContact CE-CZ 4.08Å; K163-F167 PolarHBondContact O-N 2.88Å; R164-F167 WeakPolarHBondContact O-CB 3.37Å; R164-F167 PolarHBondContact O-N 2.64Å; R164-F167 VanDerWaalsContact O-N 3.17Å; S165-F167 VanDerWaalsContact C-N 3.3Å; S165-F167 PolarHBondContact O-N 2.91Å |
| 168 | R | 83.8 | Confident | 89.2 | Confident | 223 Ų | 223 | 127.8 Ų | 127.8 | 84% | 0.842 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -92.7 | 100.6 | 172.7 | -66.4 | -173.8 | 179.8 | -153.9 | 1 | 109.3 | K166 | K166-R168 PolarHBondContact O-N 2.98Š|
| 169 | R | 83.6 | Confident | 88.8 | Confident | 227 Ų | 227 | 127.6 Ų | 127.6 | 86% | 0.857 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 127.4 | 169.9 | -68 | 178.6 | 165.2 | -174.1 | -7.6 | 109.5 | R171 | R169-R171 PolarHBondContact O-N 3.18Š|
| 170 | S | 82.6 | Confident | 88.6 | Confident | 122 Ų | 122 | 129.3 Ų | 129.3 | 85% | 0.853 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 131.4 | 168.9 | -166.4 | 0 | 0 | 0 | 0 | 108.6 | ||
| 171 | R | 84.1 | Confident | 88.5 | Confident | 231 Ų | 231 | 129.2 Ų | 129.2 | 87% | 0.872 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 139.2 | 170.3 | -63.4 | -178.5 | 179.8 | -165.3 | -2.4 | 107.9 | R169 F173 | R169-R171 PolarHBondContact O-N 3.18Å; R171-F173 PolarHBondContact O-N 2.83Å |
| 172 | I | 85.3 | Confident | 88.4 | Confident | 170 Ų | 170 | 131.4 Ų | 131.4 | 87% | 0.872 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 130.9 | 175 | -58.6 | 168.9 | 0 | 0 | 0 | 107 | D174 | I172-D174 PolarHBondContact O-N 3.19Š|
| 173 | F | 85.3 | Confident | 88.4 | Confident | 110 Ų | 110 | 130.7 Ų | 130.7 | 48% | 0.482 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -74.3 | 123 | 172.3 | 177.5 | -104.1 | 0 | 0 | 0 | 108.2 | R171 P175 F181 | R171-F173 PolarHBondContact O-N 2.83Å; F173-P175 HydrophobicContact CE1-CB 4.28Å; F173-P175 WeakPolarHBondContact O-CD 3.2Å; F173-F181 HydrophobicContact CE2-CZ 4.1Å |
| 174 | D | 88.1 | Confident | 88.3 | Confident | 89 Ų | 89 | 130.9 Ų | 130.9 | 48% | 0.476 | 64% | 0.643 | S | S | . | * | trans | -87 | 112 | 172.5 | -175.4 | -3.6 | 0 | 0 | 0 | 108.3 | I172 D176 A177 | I172-D174 PolarHBondContact O-N 3.19Å; D174-D176 PolarHBondContact O-N 3.38Å; D174-D176 PolarHBondContact OD1-N 3.37Å; D174-A177 HydrophobicContact CB-CB 4.17Å | ||
| 175 | P | 87.7 | Confident | 88.5 | Confident | 90 Ų | 90 | 131.2 Ų | 131.2 | 58% | 0.584 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -19 | -179.8 | 30.3 | -35.2 | 0 | 0 | 0 | 113.3 | F173 | F173-P175 HydrophobicContact CE1-CB 4.28Å; F173-P175 WeakPolarHBondContact O-CD 3.2Å |
| 176 | D | 90.1 | Very high | 88.6 | Confident | 146 Ų | 146 | 129.5 Ų | 129.5 | 78% | 0.781 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -7.1 | -175.9 | -61.4 | -32.4 | 0 | 0 | 0 | 112.6 | D174 | D174-D176 PolarHBondContact O-N 3.38Å; D174-D176 PolarHBondContact OD1-N 3.37Å |
| 177 | A | 89 | Confident | 88.7 | Confident | 43 Ų | 43 | 126.4 Ų | 126.4 | 36% | 0.355 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -67.3 | 140.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D174 I179 | D174-A177 HydrophobicContact CB-CB 4.17Å; A177-I179 PolarHBondContact O-N 3.45Å; A177-I179 VanDerWaalsContact O-N 3.17Å |
| 178 | P | 87.3 | Confident | 89 | Confident | 126 Ų | 126 | 127.3 Ų | 127.3 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | trans | -59.2 | 122.7 | 178.3 | 23.4 | -32.5 | 0 | 0 | 0 | 110.6 | D180 | P178-D180 PolarHBondContact O-N 3.23Š| ||
| 179 | I | 89.9 | Confident | 89.6 | Confident | 113 Ų | 113 | 123.2 Ų | 123.2 | 58% | 0.579 | 60% | 0.598 | S | S | * | * | trans | -84.8 | 109.9 | -176.3 | -58.4 | 174.6 | 0 | 0 | 0 | 109.1 | A177 F181 | A177-I179 PolarHBondContact O-N 3.45Å; A177-I179 VanDerWaalsContact O-N 3.17Å; I179-F181 HydrophobicContact CG2-CD1 4.05Å; I179-F181 HydrophobicContact CG2-CD2 4.31Å; I179-F181 HydrophobicContact CG2-CE1 3.92Å; I179-F181 HydrophobicContact CG2-CE2 4.19Å; I179-F181 HydrophobicContact CG2-CG 4.23Å; I179-F181 HydrophobicContact CG2-CZ 3.98Å; I179-F181 WeakPolarHBondContact CG2-O 3.37Å | ||
| 180 | D | 90.7 | Very high | 90.1 | Very high | 108 Ų | 108 | 113.7 Ų | 113.7 | 58% | 0.578 | 56% | 0.564 | S | S | * | * | trans | -101.7 | 10.8 | 177.2 | 70.2 | -3.2 | 0 | 0 | 0 | 113.4 | P178 N190 | P178-D180 PolarHBondContact O-N 3.23Å; D180-N190 PolarHBondContact O-ND2 3.07Å; D180-N190 PolarHBondContact OD1-ND2 3.31Å; D180-N190 PolarHBondContact OD2-ND2 3.05Å | ||
| 181 | F | 92.2 | Very high | 90.6 | Very high | 49 Ų | 49 | 112.3 Ų | 112.3 | 22% | 0.215 | 54% | 0.544 | C | S | . | . | trans | -132.9 | 147.6 | -171 | 62.8 | -93.9 | 0 | 0 | 0 | 113.5 | F173 I179 N186 R187 | F173-F181 HydrophobicContact CE2-CZ 4.1Å; I179-F181 HydrophobicContact CG2-CD1 4.05Å; I179-F181 HydrophobicContact CG2-CD2 4.31Å; I179-F181 HydrophobicContact CG2-CE1 3.92Å; I179-F181 HydrophobicContact CG2-CE2 4.19Å; I179-F181 HydrophobicContact CG2-CG 4.23Å; I179-F181 HydrophobicContact CG2-CZ 3.98Å; I179-F181 WeakPolarHBondContact CG2-O 3.37Å; F181-N186 HydrophobicContact CB-CB 4.2Å; F181-R187 HydrophobicContact CB-CB 3.98Å; F181-R187 HydrophobicContact CD1-CB 3.7Å; F181-R187 HydrophobicContact CD1-CG 3.57Å; F181-R187 HydrophobicContact CD2-CB 3.72Å; F181-R187 HydrophobicContact CD2-CG 4.29Å; F181-R187 HydrophobicContact CE1-CB 4.11Å; F181-R187 HydrophobicContact CE1-CG 3.61Å; F181-R187 HydrophobicContact CE2-CB 4.12Å; F181-R187 HydrophobicContact CE2-CG 4.31Å; F181-R187 HydrophobicContact CG-CB 3.5Å; F181-R187 HydrophobicContact CG-CG 3.94Å; F181-R187 HydrophobicContact CZ-CB 4.31Å; F181-R187 HydrophobicContact CZ-CG 4Å | ||
| 182 | I | 92.3 | Very high | 91.2 | Very high | 163 Ų | 163 | 106.3 Ų | 106.3 | 84% | 0.836 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -93.8 | -32.2 | 176.2 | -58.9 | 171.7 | 0 | 0 | 0 | 111.5 | ||
| 183 | N | 92.7 | Very high | 91.7 | Very high | 86 Ų | 86 | 101.1 Ų | 101.1 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -141 | 167.8 | -178.2 | 69.6 | 42.8 | 0 | 0 | 0 | 111.6 | R185 N186 R187 | N183-R185 VanDerWaalsContact C-N 3.28Å; N183-R185 PolarHBondContact O-N 3.18Å; N183-R185 WeakPolarHBondContact OD1-CA 3.48Å; N183-R185 WeakPolarHBondContact OD1-CB 3.39Å; N183-R185 PolarHBondContact OD1-N 3.18Å; N183-N186 WeakPolarHBondContact O-CB 3.45Å; N183-N186 PolarHBondContact O-N 3.13Å; N183-N186 WeakPolarHBondContact OD1-CB 3.41Å; N183-N186 PolarHBondContact OD1-N 2.74Å; N183-R187 PolarHBondContact O-N 3.28Å |
| 184 | N | 91.2 | Very high | 92.1 | Very high | 87 Ų | 87 | 100.3 Ų | 100.3 | 47% | 0.465 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.5 | -26.9 | -175.5 | -157.4 | -8.7 | 0 | 0 | 0 | 113.1 | R187 R188 | N184-R187 PolarHBondContact OD1-NE 3.28Å; N184-R187 PolarHBondContact OD1-NH2 2.86Å; N184-R188 WeakPolarHBondContact O-CG 3.5Å; N184-R188 PolarHBondContact O-N 2.94Å |
| 185 | R | 94.7 | Very high | 92.4 | Very high | 218 Ų | 218 | 104.6 Ų | 104.6 | 82% | 0.823 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.7 | -41.1 | 174.6 | -173.2 | 175.8 | -179.5 | 167.3 | -0.5 | 110.8 | N183 Y189 | N183-R185 VanDerWaalsContact C-N 3.28Å; N183-R185 PolarHBondContact O-N 3.18Å; N183-R185 WeakPolarHBondContact OD1-CA 3.48Å; N183-R185 WeakPolarHBondContact OD1-CB 3.39Å; N183-R185 PolarHBondContact OD1-N 3.18Å; R185-Y189 PolarHBondContact O-N 3.19Å; R185-Y189 VanDerWaalsContact O-N 3.13Å |
| 186 | N | 94.2 | Very high | 92.8 | Very high | 50 Ų | 50 | 106.3 Ų | 106.3 | 27% | 0.267 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 175.3 | -167.5 | 12.2 | 0 | 0 | 0 | 110.4 | F181 N183 R188 Y189 N190 | F181-N186 HydrophobicContact CB-CB 4.2Å; N183-N186 WeakPolarHBondContact O-CB 3.45Å; N183-N186 PolarHBondContact O-N 3.13Å; N183-N186 WeakPolarHBondContact OD1-CB 3.41Å; N183-N186 PolarHBondContact OD1-N 2.74Å; N186-R188 VanDerWaalsContact C-N 3.34Å; N186-R188 PolarHBondContact O-N 3.11Å; N186-Y189 CarbonylContact O-C 3.55Å; N186-Y189 WeakPolarHBondContact O-CA 3.33Å; N186-Y189 WeakPolarHBondContact O-CB 3.45Å; N186-Y189 PolarHBondContact O-N 2.97Å; N186-N190 PolarHBondContact O-N 2.94Å; N186-N190 PolarHBondContact OD1-OD1 3.32Å |
| 187 | R | 92.8 | Very high | 93.2 | Very high | 60 Ų | 60 | 105.9 Ų | 105.9 | 23% | 0.226 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -50.9 | -51.4 | 173.8 | -173.2 | -178 | 65 | 142.3 | -1.4 | 112.6 | F181 N183 N184 Y189 N190 E191 | F181-R187 HydrophobicContact CB-CB 3.98Å; F181-R187 HydrophobicContact CD1-CB 3.7Å; F181-R187 HydrophobicContact CD1-CG 3.57Å; F181-R187 HydrophobicContact CD2-CB 3.72Å; F181-R187 HydrophobicContact CD2-CG 4.29Å; F181-R187 HydrophobicContact CE1-CB 4.11Å; F181-R187 HydrophobicContact CE1-CG 3.61Å; F181-R187 HydrophobicContact CE2-CB 4.12Å; F181-R187 HydrophobicContact CE2-CG 4.31Å; F181-R187 HydrophobicContact CG-CB 3.5Å; F181-R187 HydrophobicContact CG-CG 3.94Å; F181-R187 HydrophobicContact CZ-CB 4.31Å; F181-R187 HydrophobicContact CZ-CG 4Å; N183-R187 PolarHBondContact O-N 3.28Å; N184-R187 PolarHBondContact OD1-NE 3.28Å; N184-R187 PolarHBondContact OD1-NH2 2.86Å; R187-Y189 PolarHBondContact O-N 3.48Å; R187-N190 PolarHBondContact O-N 3.17Å; R187-E191 IonicContact CZ-OE1 3.23Å; R187-E191 IonicContact NE-OE1 3.37Å; R187-E191 IonicContact NH1-OE1 2.88Å; R187-E191 WeakPolarHBondContact O-CB 3.48Å; R187-E191 WeakPolarHBondContact O-CG 3.34Å; R187-E191 PolarHBondContact O-N 3.41Å |
| 188 | R | 92.8 | Very high | 93.4 | Very high | 163 Ų | 163 | 104.5 Ų | 104.5 | 62% | 0.615 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.1 | -29.6 | 178.9 | -72.4 | 179.7 | 179 | 179.4 | 1.9 | 112.9 | N184 N186 K192 | N184-R188 WeakPolarHBondContact O-CG 3.5Å; N184-R188 PolarHBondContact O-N 2.94Å; N186-R188 VanDerWaalsContact C-N 3.34Å; N186-R188 PolarHBondContact O-N 3.11Å; R188-K192 WeakPolarHBondContact O-CB 3.34Å; R188-K192 PolarHBondContact O-N 2.95Å; R188-K192 VanDerWaalsContact O-N 3.11Å |
| 189 | Y | 95.7 | Very high | 93.8 | Very high | 136 Ų | 136 | 106.4 Ų | 106.4 | 53% | 0.533 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.3 | -46.1 | 175.4 | -174.4 | -102.6 | 0 | 0 | 0 | 111 | R185 N186 R187 E191 K192 L193 | R185-Y189 PolarHBondContact O-N 3.19Å; R185-Y189 VanDerWaalsContact O-N 3.13Å; N186-Y189 CarbonylContact O-C 3.55Å; N186-Y189 WeakPolarHBondContact O-CA 3.33Å; N186-Y189 WeakPolarHBondContact O-CB 3.45Å; N186-Y189 PolarHBondContact O-N 2.97Å; R187-Y189 PolarHBondContact O-N 3.48Å; Y189-E191 PolarHBondContact O-N 3.3Å; Y189-K192 CarbonylContact O-C 3.59Å; Y189-K192 WeakPolarHBondContact O-CA 3.5Å; Y189-K192 VanDerWaalsContact O-CB 3.25Å; Y189-K192 WeakPolarHBondContact O-CB 3.4Å; Y189-K192 PolarHBondContact O-N 3.31Å; Y189-L193 HydrophobicContact CD1-CD1 3.99Å; Y189-L193 HydrophobicContact CD1-CG 4.31Å; Y189-L193 HydrophobicContact CE1-CD1 3.63Å; Y189-L193 HydrophobicContact CE1-CD2 4.28Å; Y189-L193 HydrophobicContact CE1-CG 4.03Å; Y189-L193 PolarHBondContact O-N 2.89Å |
| 190 | N | 93.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 109.6 Ų | 109.6 | 14% | 0.144 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 172.8 | -66.6 | -8 | 0 | 0 | 0 | 111.4 | D180 N186 R187 K192 L193 E194 | D180-N190 PolarHBondContact O-ND2 3.07Å; D180-N190 PolarHBondContact OD1-ND2 3.31Å; D180-N190 PolarHBondContact OD2-ND2 3.05Å; N186-N190 PolarHBondContact O-N 2.94Å; N186-N190 PolarHBondContact OD1-OD1 3.32Å; R187-N190 PolarHBondContact O-N 3.17Å; N190-K192 PolarHBondContact O-N 3.01Å; N190-L193 WeakPolarHBondContact O-CA 3.48Å; N190-L193 WeakPolarHBondContact O-CB 3.25Å; N190-L193 PolarHBondContact O-N 2.83Å; N190-E194 PolarHBondContact O-N 3.48Å |
| 191 | E | 93.2 | Very high | 94.3 | Very high | 93 Ų | 93 | 106.8 Ų | 106.8 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.5 | -28.2 | 172.2 | -73.9 | 174.2 | -172 | 0 | 0 | 113 | R187 Y189 R195 | R187-E191 IonicContact CZ-OE1 3.23Å; R187-E191 IonicContact NE-OE1 3.37Å; R187-E191 IonicContact NH1-OE1 2.88Å; R187-E191 WeakPolarHBondContact O-CB 3.48Å; R187-E191 WeakPolarHBondContact O-CG 3.34Å; R187-E191 PolarHBondContact O-N 3.41Å; Y189-E191 PolarHBondContact O-N 3.3Å; E191-R195 WeakPolarHBondContact O-CG 3.37Å; E191-R195 PolarHBondContact O-N 2.83Å; E191-R195 PolarHBondContact O-NE 2.89Å |
| 192 | K | 95.7 | Very high | 94.2 | Very high | 106 Ų | 106 | 109.7 Ų | 109.7 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -73.3 | -46.2 | 172.1 | -173.9 | -175.1 | 175.3 | -172.1 | 0 | 110 | R188 Y189 N190 R195 F196 | R188-K192 WeakPolarHBondContact O-CB 3.34Å; R188-K192 PolarHBondContact O-N 2.95Å; R188-K192 VanDerWaalsContact O-N 3.11Å; Y189-K192 CarbonylContact O-C 3.59Å; Y189-K192 WeakPolarHBondContact O-CA 3.5Å; Y189-K192 VanDerWaalsContact O-CB 3.25Å; Y189-K192 WeakPolarHBondContact O-CB 3.4Å; Y189-K192 PolarHBondContact O-N 3.31Å; N190-K192 PolarHBondContact O-N 3.01Å; K192-R195 PolarHBondContact O-N 2.79Å; K192-F196 HydrophobicContact CG-CD2 4.17Å; K192-F196 HydrophobicContact CG-CE2 4.04Å; K192-F196 VanDerWaalsContact O-CD2 3.28Å; K192-F196 WeakPolarHBondContact O-CD2 3.28Å; K192-F196 PolarHBondContact O-N 3.47Å |
| 193 | L | 95.8 | Very high | 94.2 | Very high | 60 Ų | 60 | 107.3 Ų | 107.3 | 31% | 0.314 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60 | -46.3 | 177.4 | -64.6 | 177.3 | 0 | 0 | 0 | 111.4 | Y189 N190 R195 F196 Y197 | Y189-L193 HydrophobicContact CD1-CD1 3.99Å; Y189-L193 HydrophobicContact CD1-CG 4.31Å; Y189-L193 HydrophobicContact CE1-CD1 3.63Å; Y189-L193 HydrophobicContact CE1-CD2 4.28Å; Y189-L193 HydrophobicContact CE1-CG 4.03Å; Y189-L193 PolarHBondContact O-N 2.89Å; N190-L193 WeakPolarHBondContact O-CA 3.48Å; N190-L193 WeakPolarHBondContact O-CB 3.25Å; N190-L193 PolarHBondContact O-N 2.83Å; L193-R195 VanDerWaalsContact C-N 3.26Å; L193-R195 PolarHBondContact O-N 3.09Å; L193-F196 PolarHBondContact O-N 3.25Å; L193-F196 VanDerWaalsContact O-N 3.09Å; L193-Y197 HydrophobicContact CB-CD2 4.24Å; L193-Y197 HydrophobicContact CD2-CD2 3.81Å; L193-Y197 HydrophobicContact CD2-CE2 3.68Å; L193-Y197 WeakPolarHBondContact O-CB 3.49Å; L193-Y197 PolarHBondContact O-N 3.34Å |
| 194 | E | 94.4 | Very high | 94.2 | Very high | 93 Ų | 93 | 108.1 Ų | 108.1 | 44% | 0.435 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.4 | -36.9 | -180 | -170.4 | 70 | 165.6 | 0 | 0 | 112.1 | N190 F196 G198 K205 | N190-E194 PolarHBondContact O-N 3.48Å; E194-F196 VanDerWaalsContact C-N 3.35Å; E194-F196 PolarHBondContact O-N 3.41Å; E194-G198 VanDerWaalsContact O-CA 3.3Å; E194-G198 WeakPolarHBondContact O-CA 3.3Å; E194-G198 PolarHBondContact O-N 3.1Å; E194-K205 IonicContact OE1-NZ 2.8Å; E194-K205 PolarHBondContact OE1-NZ 3.35Å |
| 195 | R | 94.9 | Very high | 94.2 | Very high | 179 Ų | 179 | 108.5 Ų | 108.5 | 68% | 0.675 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.3 | -32.4 | 177.1 | -78.9 | -178 | -70.6 | 155.5 | -4.1 | 114.3 | E191 K192 L193 | E191-R195 WeakPolarHBondContact O-CG 3.37Å; E191-R195 PolarHBondContact O-N 2.83Å; E191-R195 PolarHBondContact O-NE 2.89Å; K192-R195 PolarHBondContact O-N 2.79Å; L193-R195 VanDerWaalsContact C-N 3.26Å; L193-R195 PolarHBondContact O-N 3.09Å |
| 196 | F | 96.2 | Very high | 94 | Very high | 126 Ų | 126 | 100.8 Ų | 100.8 | 55% | 0.553 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -98.4 | -42.4 | -176.8 | -73.5 | -77.2 | 0 | 0 | 0 | 112.3 | K192 L193 E194 Y200 | K192-F196 HydrophobicContact CG-CD2 4.17Å; K192-F196 HydrophobicContact CG-CE2 4.04Å; K192-F196 VanDerWaalsContact O-CD2 3.28Å; K192-F196 WeakPolarHBondContact O-CD2 3.28Å; K192-F196 PolarHBondContact O-N 3.47Å; L193-F196 PolarHBondContact O-N 3.25Å; L193-F196 VanDerWaalsContact O-N 3.09Å; E194-F196 VanDerWaalsContact C-N 3.35Å; E194-F196 PolarHBondContact O-N 3.41Å; F196-Y200 WeakPolarHBondContact O-CD2 3.39Å |
| 197 | Y | 97 | Very high | 93.9 | Very high | 138 Ų | 138 | 100.6 Ų | 100.6 | 54% | 0.541 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -101.9 | -22.8 | -172.5 | -59.7 | -67.5 | 0 | 0 | 0 | 113.6 | L193 K199 Y200 T201 | L193-Y197 HydrophobicContact CB-CD2 4.24Å; L193-Y197 HydrophobicContact CD2-CD2 3.81Å; L193-Y197 HydrophobicContact CD2-CE2 3.68Å; L193-Y197 WeakPolarHBondContact O-CB 3.49Å; L193-Y197 PolarHBondContact O-N 3.34Å; Y197-K199 PolarHBondContact O-N 2.99Å; Y197-K199 VanDerWaalsContact O-N 3.1Å; Y197-Y200 CarbonylContact O-C 3.58Å; Y197-Y200 WeakPolarHBondContact O-CA 3.4Å; Y197-Y200 PolarHBondContact O-N 2.88Å; Y197-T201 PolarHBondContact O-N 3.33Å; Y197-T201 PolarHBondContact O-OG1 3.32Å; Y197-T201 VanDerWaalsContact O-OG1 3.08Å |
| 198 | G | 94.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 103.2 Ų | 103.2 | 13% | 0.134 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -36.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | E194 Y200 T201 E202 | E194-G198 VanDerWaalsContact O-CA 3.3Å; E194-G198 WeakPolarHBondContact O-CA 3.3Å; E194-G198 PolarHBondContact O-N 3.1Å; G198-Y200 VanDerWaalsContact C-N 3.27Å; G198-Y200 PolarHBondContact O-N 3.45Å; G198-T201 PolarHBondContact O-N 3.33Å; G198-E202 PolarHBondContact O-N 3.21Å |
| 199 | K | 95.3 | Very high | 93.6 | Very high | 167 Ų | 167 | 102.3 Ų | 102.3 | 73% | 0.726 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -32.5 | 174.1 | -177.2 | 179 | 177.6 | -175.3 | 0 | 113.5 | Y197 | Y197-K199 PolarHBondContact O-N 2.99Å; Y197-K199 VanDerWaalsContact O-N 3.1Å |
| 200 | Y | 96.1 | Very high | 93.3 | Very high | 180 Ų | 180 | 102.9 Ų | 102.9 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -20.4 | -176.1 | -57.9 | -77.9 | 0 | 0 | 0 | 112.7 | F196 Y197 G198 | F196-Y200 WeakPolarHBondContact O-CD2 3.39Å; Y197-Y200 CarbonylContact O-C 3.58Å; Y197-Y200 WeakPolarHBondContact O-CA 3.4Å; Y197-Y200 PolarHBondContact O-N 2.88Å; G198-Y200 VanDerWaalsContact C-N 3.27Å; G198-Y200 PolarHBondContact O-N 3.45Å |
| 201 | T | 93.8 | Very high | 93 | Very high | 49 Ų | 49 | 104.2 Ų | 104.2 | 30% | 0.301 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -106.5 | 11.9 | -177.4 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | Y197 G198 D203 I204 K205 | Y197-T201 PolarHBondContact O-N 3.33Å; Y197-T201 PolarHBondContact O-OG1 3.32Å; Y197-T201 VanDerWaalsContact O-OG1 3.08Å; G198-T201 PolarHBondContact O-N 3.33Å; T201-D203 PolarHBondContact O-N 3.46Å; T201-I204 HydrophobicContact CG2-CD1 4.49Å; T201-I204 PolarHBondContact O-N 3.11Å; T201-K205 PolarHBondContact O-N 3.43Å |
| 202 | E | 92 | Very high | 92.5 | Very high | 109 Ų | 109 | 104.9 Ų | 104.9 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | -178.6 | -169.4 | 175.5 | 171.2 | 0 | 0 | 111.5 | G198 I204 K205 Q206 | G198-E202 PolarHBondContact O-N 3.21Å; E202-I204 VanDerWaalsContact C-N 3.33Å; E202-I204 PolarHBondContact O-N 3.23Å; E202-K205 WeakPolarHBondContact O-CB 3.43Å; E202-K205 PolarHBondContact O-N 3.47Å; E202-K205 VanDerWaalsContact O-N 3.16Å; E202-Q206 WeakPolarHBondContact O-CG 3.47Å; E202-Q206 PolarHBondContact O-N 3.08Å |
| 203 | D | 91.6 | Very high | 91.2 | Very high | 114 Ų | 114 | 102.6 Ų | 102.6 | 61% | 0.61 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.3 | -41.1 | 177.8 | -63.9 | -18.2 | 0 | 0 | 0 | 112 | T201 K205 Q206 N207 | T201-D203 PolarHBondContact O-N 3.46Å; D203-K205 VanDerWaalsContact C-N 3.33Å; D203-K205 PolarHBondContact O-N 3.16Å; D203-Q206 PolarHBondContact O-N 3.23Å; D203-N207 WeakPolarHBondContact O-CB 3.43Å; D203-N207 PolarHBondContact O-N 3.45Å; D203-N207 PolarHBondContact O-ND2 2.98Å; D203-N207 PolarHBondContact O-OD1 3.4Å |
| 204 | I | 91.9 | Very high | 89.7 | Confident | 103 Ų | 103 | 109.7 Ų | 109.7 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 177.5 | -60.5 | 175 | 0 | 0 | 0 | 110.2 | T201 E202 N207 L208 | T201-I204 HydrophobicContact CG2-CD1 4.49Å; T201-I204 PolarHBondContact O-N 3.11Å; E202-I204 VanDerWaalsContact C-N 3.33Å; E202-I204 PolarHBondContact O-N 3.23Å; I204-N207 PolarHBondContact O-N 3.02Å; I204-L208 HydrophobicContact CG2-CD1 4.32Å; I204-L208 WeakPolarHBondContact O-CG 3.27Å; I204-L208 PolarHBondContact O-N 2.79Å |
| 205 | K | 91.4 | Very high | 89.5 | Confident | 94 Ų | 94 | 110.5 Ų | 110.5 | 41% | 0.409 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 177.8 | -170 | 178 | -175.4 | 178 | 0 | 111.3 | E194 T201 E202 D203 N207 L208 E209 | E194-K205 IonicContact OE1-NZ 2.8Å; E194-K205 PolarHBondContact OE1-NZ 3.35Å; T201-K205 PolarHBondContact O-N 3.43Å; E202-K205 WeakPolarHBondContact O-CB 3.43Å; E202-K205 PolarHBondContact O-N 3.47Å; E202-K205 VanDerWaalsContact O-N 3.16Å; D203-K205 VanDerWaalsContact C-N 3.33Å; D203-K205 PolarHBondContact O-N 3.16Å; K205-N207 VanDerWaalsContact C-N 3.33Å; K205-N207 PolarHBondContact O-N 2.98Å; K205-L208 PolarHBondContact O-N 2.94Å; K205-E209 WeakPolarHBondContact O-CG 3.45Å; K205-E209 PolarHBondContact O-N 3.39Å |
| 206 | Q | 91.2 | Very high | 89.2 | Confident | 57 Ų | 57 | 106.9 Ų | 106.9 | 27% | 0.266 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 174.9 | -69.6 | -179.3 | 21.4 | 0 | 0 | 112 | E202 D203 E209 R210 | E202-Q206 WeakPolarHBondContact O-CG 3.47Å; E202-Q206 PolarHBondContact O-N 3.08Å; D203-Q206 PolarHBondContact O-N 3.23Å; Q206-E209 PolarHBondContact O-N 2.91Å; Q206-R210 WeakPolarHBondContact O-CB 3.41Å; Q206-R210 VanDerWaalsContact O-CG 3.27Å; Q206-R210 WeakPolarHBondContact O-CG 3.48Å; Q206-R210 PolarHBondContact O-N 3.4Å |
| 207 | N | 91.5 | Very high | 88.8 | Confident | 45 Ų | 45 | 105.8 Ų | 105.8 | 24% | 0.241 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 176.7 | -69.3 | -11.1 | 0 | 0 | 0 | 111.7 | D203 I204 K205 R210 G211 T212 | D203-N207 WeakPolarHBondContact O-CB 3.43Å; D203-N207 PolarHBondContact O-N 3.45Å; D203-N207 PolarHBondContact O-ND2 2.98Å; D203-N207 PolarHBondContact O-OD1 3.4Å; I204-N207 PolarHBondContact O-N 3.02Å; K205-N207 VanDerWaalsContact C-N 3.33Å; K205-N207 PolarHBondContact O-N 2.98Å; N207-R210 PolarHBondContact O-N 2.94Å; N207-G211 PolarHBondContact O-N 3.44Å; N207-T212 VanDerWaalsContact O-CA 3.26Å; N207-T212 WeakPolarHBondContact O-CA 3.26Å; N207-T212 PolarHBondContact O-N 3.3Å |
| 208 | L | 90.6 | Very high | 88.3 | Confident | 115 Ų | 115 | 103.9 Ų | 103.9 | 60% | 0.602 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.9 | -43.2 | 174.5 | -71.6 | 168.2 | 0 | 0 | 0 | 111.9 | I204 K205 R210 G211 T212 | I204-L208 HydrophobicContact CG2-CD1 4.32Å; I204-L208 WeakPolarHBondContact O-CG 3.27Å; I204-L208 PolarHBondContact O-N 2.79Å; K205-L208 PolarHBondContact O-N 2.94Å; L208-R210 VanDerWaalsContact C-N 3.28Å; L208-R210 PolarHBondContact O-N 2.94Å; L208-G211 PolarHBondContact O-N 3.39Å; L208-G211 VanDerWaalsContact O-N 3.11Å; L208-T212 HydrophobicContact CD2-CG2 4.04Å |
| 209 | E | 88 | Confident | 87.9 | Confident | 144 Ų | 144 | 109.6 Ų | 109.6 | 67% | 0.673 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.6 | -29.2 | 176.7 | -70.5 | 172 | -172.8 | 0 | 0 | 112.6 | K205 Q206 G211 | K205-E209 WeakPolarHBondContact O-CG 3.45Å; K205-E209 PolarHBondContact O-N 3.39Å; Q206-E209 PolarHBondContact O-N 2.91Å; E209-G211 VanDerWaalsContact C-N 3.28Å; E209-G211 PolarHBondContact O-N 3.19Å |
| 210 | R | 89.5 | Confident | 87.4 | Confident | 148 Ų | 148 | 105.8 Ų | 105.8 | 56% | 0.558 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 5.7 | 173.4 | -68.5 | 174.8 | -167.1 | 146.4 | 11 | 114.1 | Q206 N207 L208 | Q206-R210 WeakPolarHBondContact O-CB 3.41Å; Q206-R210 VanDerWaalsContact O-CG 3.27Å; Q206-R210 WeakPolarHBondContact O-CG 3.48Å; Q206-R210 PolarHBondContact O-N 3.4Å; N207-R210 PolarHBondContact O-N 2.94Å; L208-R210 VanDerWaalsContact C-N 3.28Å; L208-R210 PolarHBondContact O-N 2.94Å |
| 211 | G | 87.3 | Confident | 86.8 | Confident | 55 Ų | 55 | 100.5 Ų | 100.5 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 37.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N207 L208 E209 A213 | N207-G211 PolarHBondContact O-N 3.44Å; L208-G211 PolarHBondContact O-N 3.39Å; L208-G211 VanDerWaalsContact O-N 3.11Å; E209-G211 VanDerWaalsContact C-N 3.28Å; E209-G211 PolarHBondContact O-N 3.19Å; G211-A213 PolarHBondContact O-N 2.76Å |
| 212 | T | 83.1 | Confident | 86.2 | Confident | 107 Ų | 107 | 104.5 Ų | 104.5 | 66% | 0.656 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 64 | 12.7 | 178 | 62.5 | 0 | 0 | 0 | 0 | 116 | N207 L208 | N207-T212 VanDerWaalsContact O-CA 3.26Å; N207-T212 WeakPolarHBondContact O-CA 3.26Å; N207-T212 PolarHBondContact O-N 3.3Å; L208-T212 HydrophobicContact CD2-CG2 4.04Å |
| 213 | A | 68.3 | Low | 85.8 | Confident | 58 Ų | 58 | 104.1 Ų | 104.1 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | trans | -73.2 | 126.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G211 | G211-A213 PolarHBondContact O-N 2.76Š| ||
| 214 | I | 64.9 | Low | 85.2 | Confident | 209 Ų | 209 | 103.2 Ų | 103.2 | 100% | 1.072 | 55% | 0.55 | S | S | * | * | trans | -81.1 | 0 | 170.8 | -62.4 | 171.7 | 0 | 0 | 0 | 108.9 |
Retrieved 214 of 214 residues in 232.5 ms
(Link to these results)