| 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 | E | 83.9 | Confident | 95.9 | Very high | 187 Ų | 187 | 120.5 Ų | 120.5 | 87% | 0.874 | 55% | 0.547 | S | S | * | . | 0 | -68.5 | 0 | -54.4 | -35.7 | 96.9 | 0 | 0 | 115.2 | L3 I4 L5 | E1-L3 PolarHBondContact O-N 3.4Å; E1-I4 PolarHBondContact O-N 2.91Å; E1-L5 PolarHBondContact O-N 2.73Å | |||
| 2 | Y | 95.2 | Very high | 95.9 | Very high | 169 Ų | 169 | 119.1 Ų | 119.1 | 66% | 0.663 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -55.7 | -43.3 | -173.2 | 176.8 | -104.4 | 0 | 0 | 0 | 115.3 | I4 L5 L6 | Y2-I4 VanDerWaalsContact C-N 3.29Å; Y2-I4 PolarHBondContact O-N 3.37Å; Y2-L5 PolarHBondContact O-N 3.43Å; Y2-L6 HydrophobicContact CE1-CD2 4.13Å; Y2-L6 WeakPolarHBondContact O-CB 3.37Å; Y2-L6 PolarHBondContact O-N 3.49Å |
| 3 | L | 97.6 | Very high | 95.8 | Very high | 117 Ų | 117 | 116.2 Ų | 116.2 | 61% | 0.613 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.5 | -33.9 | -176.4 | -144.5 | 73.7 | 0 | 0 | 0 | 112.7 | E1 L6 Q7 | E1-L3 PolarHBondContact O-N 3.4Å; L3-L6 PolarHBondContact O-N 3.28Å; L3-Q7 WeakPolarHBondContact O-CG 3.3Å; L3-Q7 PolarHBondContact O-N 3.1Å |
| 4 | I | 96.9 | Very high | 95.7 | Very high | 88 Ų | 88 | 119.4 Ų | 119.4 | 45% | 0.451 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.4 | -46.4 | 178.8 | -61.4 | 171.2 | 0 | 0 | 0 | 109.7 | E1 Y2 L6 Q7 Q8 | E1-I4 PolarHBondContact O-N 2.91Å; Y2-I4 VanDerWaalsContact C-N 3.29Å; Y2-I4 PolarHBondContact O-N 3.37Å; I4-L6 VanDerWaalsContact C-N 3.29Å; I4-L6 PolarHBondContact O-N 3.5Å; I4-Q7 PolarHBondContact O-N 3.3Å; I4-Q8 WeakPolarHBondContact O-CG 3.47Å; I4-Q8 PolarHBondContact O-N 3.3Å |
| 5 | L | 97.7 | Very high | 95.2 | Very high | 79 Ų | 79 | 120.6 Ų | 120.6 | 41% | 0.414 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.9 | -41.7 | 175.4 | 179.3 | 65.5 | 0 | 0 | 0 | 111.5 | E1 Y2 Q8 R9 | E1-L5 PolarHBondContact O-N 2.73Å; Y2-L5 PolarHBondContact O-N 3.43Å; L5-Q8 PolarHBondContact O-N 3.37Å; L5-R9 PolarHBondContact O-N 3.47Å |
| 6 | L | 98.1 | Very high | 94.7 | Very high | 59 Ų | 59 | 121.8 Ų | 121.8 | 31% | 0.309 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.2 | -43 | 178.4 | -172 | 64.3 | 0 | 0 | 0 | 111.6 | Y2 L3 I4 Q8 R9 N10 | Y2-L6 HydrophobicContact CE1-CD2 4.13Å; Y2-L6 WeakPolarHBondContact O-CB 3.37Å; Y2-L6 PolarHBondContact O-N 3.49Å; L3-L6 PolarHBondContact O-N 3.28Å; I4-L6 VanDerWaalsContact C-N 3.29Å; I4-L6 PolarHBondContact O-N 3.5Å; L6-Q8 VanDerWaalsContact C-N 3.35Å; L6-Q8 PolarHBondContact O-N 3.21Å; L6-R9 PolarHBondContact O-N 3.43Å; L6-N10 WeakPolarHBondContact O-CB 3.36Å; L6-N10 VanDerWaalsContact O-CG 3.27Å; L6-N10 PolarHBondContact O-N 3.42Å; L6-N10 PolarHBondContact O-ND2 3.47Å |
| 7 | Q | 97.8 | Very high | 94.1 | Very high | 105 Ų | 105 | 123.8 Ų | 123.8 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.2 | -42.6 | 175.1 | -76.6 | 177.1 | -10.4 | 0 | 0 | 112.1 | L3 I4 N10 R11 | L3-Q7 WeakPolarHBondContact O-CG 3.3Å; L3-Q7 PolarHBondContact O-N 3.1Å; I4-Q7 PolarHBondContact O-N 3.3Å; Q7-N10 PolarHBondContact O-N 3.33Å; Q7-R11 WeakPolarHBondContact O-CG 3.1Å; Q7-R11 PolarHBondContact O-N 3.21Å |
| 8 | Q | 97.6 | Very high | 93.8 | Very high | 106 Ų | 106 | 121.3 Ų | 121.3 | 50% | 0.495 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.8 | -47.3 | 176.7 | -73.1 | 176.7 | -13.9 | 0 | 0 | 111.8 | I4 L5 L6 N10 R11 I12 | I4-Q8 WeakPolarHBondContact O-CG 3.47Å; I4-Q8 PolarHBondContact O-N 3.3Å; L5-Q8 PolarHBondContact O-N 3.37Å; L6-Q8 VanDerWaalsContact C-N 3.35Å; L6-Q8 PolarHBondContact O-N 3.21Å; Q8-N10 VanDerWaalsContact C-N 3.32Å; Q8-N10 PolarHBondContact O-N 3.26Å; Q8-R11 PolarHBondContact O-N 3.48Å; Q8-I12 WeakPolarHBondContact O-CG1 3.45Å; Q8-I12 PolarHBondContact O-N 3.34Å; Q8-I12 VanDerWaalsContact O-N 3.12Å |
| 9 | R | 97.1 | Very high | 93.4 | Very high | 162 Ų | 162 | 120.5 Ų | 120.5 | 61% | 0.611 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.2 | -42.6 | 175.8 | -78.4 | -174.9 | 171.6 | 164.1 | -1.1 | 112.2 | L5 L6 R11 I12 L13 | L5-R9 PolarHBondContact O-N 3.47Å; L6-R9 PolarHBondContact O-N 3.43Å; R9-R11 VanDerWaalsContact C-N 3.33Å; R9-R11 PolarHBondContact O-N 3.46Å; R9-I12 PolarHBondContact O-N 3.09Å; R9-L13 WeakPolarHBondContact O-CB 3.19Å; R9-L13 PolarHBondContact O-N 3.15Å |
| 10 | N | 96.9 | Very high | 93.1 | Very high | 89 Ų | 89 | 118.3 Ų | 118.3 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.6 | -35.9 | 178.6 | -74.6 | -15.7 | 0 | 0 | 0 | 112.6 | L6 Q7 Q8 K14 | L6-N10 WeakPolarHBondContact O-CB 3.36Å; L6-N10 VanDerWaalsContact O-CG 3.27Å; L6-N10 PolarHBondContact O-N 3.42Å; L6-N10 PolarHBondContact O-ND2 3.47Å; Q7-N10 PolarHBondContact O-N 3.33Å; Q8-N10 VanDerWaalsContact C-N 3.32Å; Q8-N10 PolarHBondContact O-N 3.26Å; N10-K14 WeakPolarHBondContact O-CB 3.44Å; N10-K14 PolarHBondContact O-N 3.33Å |
| 11 | R | 96.8 | Very high | 92.9 | Very high | 164 Ų | 164 | 117.4 Ų | 117.4 | 62% | 0.619 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.3 | -49.3 | 173.7 | -71.7 | 173.2 | -174.4 | 179.2 | 2.4 | 111.3 | Q7 Q8 R9 L13 K14 H15 | Q7-R11 WeakPolarHBondContact O-CG 3.1Å; Q7-R11 PolarHBondContact O-N 3.21Å; Q8-R11 PolarHBondContact O-N 3.48Å; R9-R11 VanDerWaalsContact C-N 3.33Å; R9-R11 PolarHBondContact O-N 3.46Å; R11-L13 VanDerWaalsContact C-N 3.32Å; R11-L13 PolarHBondContact O-N 3.04Å; R11-K14 WeakPolarHBondContact O-CB 3.39Å; R11-K14 PolarHBondContact O-N 3.2Å; R11-H15 PolarHBondContact O-CD2 2.92Å; R11-H15 PolarHBondContact O-N 3.29Å |
| 12 | I | 95.7 | Very high | 93.2 | Very high | 104 Ų | 104 | 113.2 Ų | 113.2 | 53% | 0.533 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 178.2 | -63.9 | 169.7 | 0 | 0 | 0 | 110 | Q8 R9 K14 H15 L16 | Q8-I12 WeakPolarHBondContact O-CG1 3.45Å; Q8-I12 PolarHBondContact O-N 3.34Å; Q8-I12 VanDerWaalsContact O-N 3.12Å; R9-I12 PolarHBondContact O-N 3.09Å; I12-K14 VanDerWaalsContact C-N 3.29Å; I12-K14 PolarHBondContact O-N 2.84Å; I12-H15 PolarHBondContact O-N 3.37Å; I12-H15 VanDerWaalsContact O-N 3.08Å; I12-L16 HydrophobicContact CG2-CD1 3.81Å; I12-L16 HydrophobicContact CG2-CG 4.17Å; I12-L16 WeakPolarHBondContact O-CG 3.44Å; I12-L16 PolarHBondContact O-N 3.34Å |
| 13 | L | 94.8 | Very high | 93 | Very high | 82 Ų | 82 | 110.5 Ų | 110.5 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -34.7 | -180 | -176.4 | 140.6 | 0 | 0 | 0 | 112.7 | R9 R11 H15 L16 K17 | R9-L13 WeakPolarHBondContact O-CB 3.19Å; R9-L13 PolarHBondContact O-N 3.15Å; R11-L13 VanDerWaalsContact C-N 3.32Å; R11-L13 PolarHBondContact O-N 3.04Å; L13-H15 VanDerWaalsContact C-N 3.34Å; L13-L16 PolarHBondContact O-N 3.06Å; L13-K17 HydrophobicContact CD2-CD 3.68Å; L13-K17 HydrophobicContact CD2-CG 4.4Å; L13-K17 HydrophobicContact CG-CD 4.23Å; L13-K17 WeakPolarHBondContact O-CB 3.47Å; L13-K17 WeakPolarHBondContact O-CG 3.42Å; L13-K17 PolarHBondContact O-N 3.27Å |
| 14 | K | 94.3 | Very high | 92.8 | Very high | 161 Ų | 161 | 108.4 Ų | 108.4 | 70% | 0.7 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.3 | -40.6 | 173.3 | -174 | -178.8 | 178.3 | -177.5 | 0 | 112 | N10 R11 I12 S18 | N10-K14 WeakPolarHBondContact O-CB 3.44Å; N10-K14 PolarHBondContact O-N 3.33Å; R11-K14 WeakPolarHBondContact O-CB 3.39Å; R11-K14 PolarHBondContact O-N 3.2Å; I12-K14 VanDerWaalsContact C-N 3.29Å; I12-K14 PolarHBondContact O-N 2.84Å; K14-S18 PolarHBondContact O-N 3.29Å |
| 15 | H | 88.1 | Confident | 92.6 | Very high | 137 Ų | 137 | 112 Ų | 112 | 63% | 0.634 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -74.3 | -36 | 177.3 | -68.3 | -65.7 | 0 | 0 | 0 | 112.6 | R11 I12 L13 K17 S18 | R11-H15 PolarHBondContact O-CD2 2.92Å; R11-H15 PolarHBondContact O-N 3.29Å; I12-H15 PolarHBondContact O-N 3.37Å; I12-H15 VanDerWaalsContact O-N 3.08Å; L13-H15 VanDerWaalsContact C-N 3.34Å; H15-K17 VanDerWaalsContact C-N 3.31Å; H15-K17 PolarHBondContact O-N 3.19Å; H15-S18 PolarHBondContact O-N 3.45Å; H15-S18 PolarHBondContact O-OG 3.13Å |
| 16 | L | 86.8 | Confident | 92.4 | Very high | 140 Ų | 140 | 112.8 Ų | 112.8 | 73% | 0.733 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.8 | -29 | 175.7 | -66.3 | 176.9 | 0 | 0 | 0 | 112.8 | I12 L13 | I12-L16 HydrophobicContact CG2-CD1 3.81Å; I12-L16 HydrophobicContact CG2-CG 4.17Å; I12-L16 WeakPolarHBondContact O-CG 3.44Å; I12-L16 PolarHBondContact O-N 3.34Å; L13-L16 PolarHBondContact O-N 3.06Å |
| 17 | K | 84.9 | Confident | 92.1 | Very high | 156 Ų | 156 | 112.9 Ų | 112.9 | 68% | 0.678 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.6 | 176.8 | -72 | -174.5 | 178.1 | -174.9 | 0 | 114 | L13 H15 K19 | L13-K17 HydrophobicContact CD2-CD 3.68Å; L13-K17 HydrophobicContact CD2-CG 4.4Å; L13-K17 HydrophobicContact CG-CD 4.23Å; L13-K17 WeakPolarHBondContact O-CB 3.47Å; L13-K17 WeakPolarHBondContact O-CG 3.42Å; L13-K17 PolarHBondContact O-N 3.27Å; H15-K17 VanDerWaalsContact C-N 3.31Å; H15-K17 PolarHBondContact O-N 3.19Å; K17-K19 PolarHBondContact O-N 3.29Å |
| 18 | S | 88.1 | Confident | 91.7 | Very high | 79 Ų | 79 | 113.4 Ų | 113.4 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -66.3 | 129.7 | 175.7 | 62.5 | 0 | 0 | 0 | 0 | 109.2 | K14 H15 D20 | K14-S18 PolarHBondContact O-N 3.29Å; H15-S18 PolarHBondContact O-N 3.45Å; H15-S18 PolarHBondContact O-OG 3.13Å; S18-D20 PolarHBondContact O-N 3.43Å |
| 19 | K | 85.8 | Confident | 91.4 | Very high | 105 Ų | 105 | 111.8 Ų | 111.8 | 46% | 0.457 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 137.4 | 174.8 | -68 | 178 | 175.4 | -179.5 | 0 | 109.4 | K17 Q23 L24 E27 | K17-K19 PolarHBondContact O-N 3.29Å; K19-Q23 HydrophobicContact CB-CB 4.49Å; K19-L24 HydrophobicContact CB-CD1 4.47Å; K19-L24 HydrophobicContact CB-CD2 4.02Å; K19-L24 HydrophobicContact CB-CG 3.83Å; K19-L24 HydrophobicContact CD-CD2 3.73Å; K19-L24 HydrophobicContact CD-CG 4.4Å; K19-L24 HydrophobicContact CG-CD2 4.5Å; K19-E27 VanDerWaalsContact NZ-CD 3.32Å; K19-E27 IonicContact NZ-OE1 3.25Å; K19-E27 PolarHBondContact NZ-OE1 3.27Å; K19-E27 IonicContact NZ-OE2 2.63Å; K19-E27 PolarHBondContact NZ-OE2 3.11Å |
| 20 | D | 88.6 | Confident | 91.2 | Very high | 77 Ų | 77 | 109.2 Ų | 109.2 | 41% | 0.412 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 136.4 | 170 | 173.8 | 3.3 | 0 | 0 | 0 | 108.7 | S18 V22 Q23 L24 | S18-D20 PolarHBondContact O-N 3.43Å; D20-V22 PolarHBondContact O-N 2.8Å; D20-V22 PolarHBondContact OD1-N 2.9Å; D20-Q23 HydrophobicContact CB-CB 4.31Å; D20-Q23 HydrophobicContact CB-CG 4.01Å; D20-Q23 WeakPolarHBondContact O-CA 3.26Å; D20-Q23 WeakPolarHBondContact O-CB 3.48Å; D20-Q23 PolarHBondContact O-N 2.89Å; D20-L24 PolarHBondContact O-N 3.07Å |
| 21 | P | 89.2 | Confident | 90.8 | Very high | 99 Ų | 99 | 109.9 Ų | 109.9 | 64% | 0.643 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -47 | -33 | 172.1 | 17.7 | -33.5 | 0 | 0 | 0 | 113.8 | L24 R25 | P21-L24 PolarHBondContact O-N 3.09Å; P21-R25 WeakPolarHBondContact O-CB 3.07Å; P21-R25 PolarHBondContact O-N 3.31Å |
| 22 | V | 90.4 | Very high | 90.4 | Very high | 99 Ų | 99 | 104.2 Ų | 104.2 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.2 | -43.9 | 174.7 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | D20 L24 R25 L26 | D20-V22 PolarHBondContact O-N 2.8Å; D20-V22 PolarHBondContact OD1-N 2.9Å; V22-L24 VanDerWaalsContact C-N 3.35Å; V22-L24 PolarHBondContact O-N 3.16Å; V22-R25 WeakPolarHBondContact O-CB 3.35Å; V22-R25 PolarHBondContact O-N 2.94Å; V22-L26 PolarHBondContact O-N 2.87Å |
| 23 | Q | 91 | Very high | 90 | Very high | 113 Ų | 113 | 105.6 Ų | 105.6 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 176.7 | -69.9 | 177.1 | -31.5 | 0 | 0 | 111.6 | K19 D20 R25 L26 E27 | K19-Q23 HydrophobicContact CB-CB 4.49Å; D20-Q23 HydrophobicContact CB-CB 4.31Å; D20-Q23 HydrophobicContact CB-CG 4.01Å; D20-Q23 WeakPolarHBondContact O-CA 3.26Å; D20-Q23 WeakPolarHBondContact O-CB 3.48Å; D20-Q23 PolarHBondContact O-N 2.89Å; Q23-R25 VanDerWaalsContact C-N 3.32Å; Q23-R25 PolarHBondContact O-N 3.49Å; Q23-L26 PolarHBondContact O-N 3.45Å; Q23-E27 PolarHBondContact O-N 3.36Å |
| 24 | L | 91.8 | Very high | 89.6 | Confident | 72 Ų | 72 | 104.6 Ų | 104.6 | 38% | 0.377 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 173.5 | -74.5 | 172.3 | 0 | 0 | 0 | 111.3 | K19 D20 P21 V22 L26 E27 H28 | K19-L24 HydrophobicContact CB-CD1 4.47Å; K19-L24 HydrophobicContact CB-CD2 4.02Å; K19-L24 HydrophobicContact CB-CG 3.83Å; K19-L24 HydrophobicContact CD-CD2 3.73Å; K19-L24 HydrophobicContact CD-CG 4.4Å; K19-L24 HydrophobicContact CG-CD2 4.5Å; D20-L24 PolarHBondContact O-N 3.07Å; P21-L24 PolarHBondContact O-N 3.09Å; V22-L24 VanDerWaalsContact C-N 3.35Å; V22-L24 PolarHBondContact O-N 3.16Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L26 PolarHBondContact O-N 3.45Å; L24-E27 PolarHBondContact O-N 3.05Å; L24-H28 PolarHBondContact O-N 3.18Å; L24-H28 VanDerWaalsContact O-N 3.09Å; L24-H28 PolarHBondContact O-ND1 3.34Å |
| 25 | R | 93 | Very high | 89 | Confident | 164 Ų | 164 | 100.9 Ų | 100.9 | 62% | 0.619 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -42.7 | 178.1 | 180 | 57.6 | 175.8 | -176.2 | 0.8 | 111.5 | P21 V22 Q23 H28 L29 | P21-R25 WeakPolarHBondContact O-CB 3.07Å; P21-R25 PolarHBondContact O-N 3.31Å; V22-R25 WeakPolarHBondContact O-CB 3.35Å; V22-R25 PolarHBondContact O-N 2.94Å; Q23-R25 VanDerWaalsContact C-N 3.32Å; Q23-R25 PolarHBondContact O-N 3.49Å; R25-H28 PolarHBondContact O-N 3.16Å; R25-L29 HydrophobicContact CG-CD1 4.33Å; R25-L29 WeakPolarHBondContact O-CG 3.39Å; R25-L29 PolarHBondContact O-N 3.47Å; R25-L29 VanDerWaalsContact O-N 3.09Å |
| 26 | L | 94.1 | Very high | 88.7 | Confident | 96 Ų | 96 | 102 Ų | 102 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 179.7 | -169.1 | 64.9 | 0 | 0 | 0 | 111.3 | V22 Q23 L24 H28 L29 E30 | V22-L26 PolarHBondContact O-N 2.87Å; Q23-L26 PolarHBondContact O-N 3.45Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L26 PolarHBondContact O-N 3.45Å; L26-H28 VanDerWaalsContact C-N 3.34Å; L26-H28 PolarHBondContact O-N 3.4Å; L26-L29 WeakPolarHBondContact O-CB 3.45Å; L26-L29 PolarHBondContact O-N 3.21Å; L26-L29 VanDerWaalsContact O-N 3.09Å; L26-E30 WeakPolarHBondContact O-CG 3.47Å; L26-E30 PolarHBondContact O-N 3.37Å |
| 27 | E | 91.8 | Very high | 88.4 | Confident | 61 Ų | 61 | 100.7 Ų | 100.7 | 29% | 0.285 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 176.1 | 179.6 | 178.4 | -174.4 | 0 | 0 | 112.2 | K19 Q23 L24 L29 E30 Q31 | K19-E27 VanDerWaalsContact NZ-CD 3.32Å; K19-E27 IonicContact NZ-OE1 3.25Å; K19-E27 PolarHBondContact NZ-OE1 3.27Å; K19-E27 IonicContact NZ-OE2 2.63Å; K19-E27 PolarHBondContact NZ-OE2 3.11Å; Q23-E27 PolarHBondContact O-N 3.36Å; L24-E27 PolarHBondContact O-N 3.05Å; E27-L29 VanDerWaalsContact C-N 3.31Å; E27-L29 PolarHBondContact O-N 2.8Å; E27-E30 PolarHBondContact O-N 2.85Å; E27-Q31 WeakPolarHBondContact O-CB 3.47Å; E27-Q31 VanDerWaalsContact O-CG 3.26Å; E27-Q31 WeakPolarHBondContact O-CG 3.49Å; E27-Q31 PolarHBondContact O-N 3.34Å |
| 28 | H | 89.4 | Confident | 88.4 | Confident | 115 Ų | 115 | 99.7 Ų | 99.7 | 53% | 0.532 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 176.1 | -78.3 | 83.3 | 0 | 0 | 0 | 112.3 | L24 R25 L26 G32 | L24-H28 PolarHBondContact O-N 3.18Å; L24-H28 VanDerWaalsContact O-N 3.09Å; L24-H28 PolarHBondContact O-ND1 3.34Å; R25-H28 PolarHBondContact O-N 3.16Å; L26-H28 VanDerWaalsContact C-N 3.34Å; L26-H28 PolarHBondContact O-N 3.4Å; H28-G32 PolarHBondContact O-N 3.13Å; H28-G32 VanDerWaalsContact O-N 3.13Å |
| 29 | L | 91.8 | Very high | 87.9 | Confident | 72 Ų | 72 | 97 Ų | 97 | 38% | 0.377 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 176 | -69.7 | 172 | 0 | 0 | 0 | 110.5 | R25 L26 E27 Q31 G32 F33 | R25-L29 HydrophobicContact CG-CD1 4.33Å; R25-L29 WeakPolarHBondContact O-CG 3.39Å; R25-L29 PolarHBondContact O-N 3.47Å; R25-L29 VanDerWaalsContact O-N 3.09Å; L26-L29 WeakPolarHBondContact O-CB 3.45Å; L26-L29 PolarHBondContact O-N 3.21Å; L26-L29 VanDerWaalsContact O-N 3.09Å; E27-L29 VanDerWaalsContact C-N 3.31Å; E27-L29 PolarHBondContact O-N 2.8Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 2.83Å; L29-G32 CarbonylContact O-C 3.56Å; L29-G32 WeakPolarHBondContact O-CA 3.44Å; L29-G32 PolarHBondContact O-N 3.06Å; L29-F33 HydrophobicContact CB-CD2 4.36Å; L29-F33 HydrophobicContact CB-CE2 4.25Å; L29-F33 WeakPolarHBondContact O-CD2 3.39Å; L29-F33 PolarHBondContact O-N 3.38Å |
| 30 | E | 91.8 | Very high | 87.2 | Confident | 108 Ų | 108 | 94.6 Ų | 94.6 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.4 | -40.2 | 177.4 | -72.6 | 173.4 | 178.4 | 0 | 0 | 112.6 | L26 E27 F33 S34 | L26-E30 WeakPolarHBondContact O-CG 3.47Å; L26-E30 PolarHBondContact O-N 3.37Å; E27-E30 PolarHBondContact O-N 2.85Å; E30-F33 PolarHBondContact O-N 3.25Å; E30-S34 WeakPolarHBondContact O-CB 3.33Å; E30-S34 PolarHBondContact O-N 3.4Å; E30-S34 PolarHBondContact O-OG 2.87Å |
| 31 | Q | 88 | Confident | 86 | Confident | 103 Ų | 103 | 97 Ų | 97 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 173.1 | -73.2 | 172.5 | 4.7 | 0 | 0 | 111.1 | E27 L29 S34 V35 | E27-Q31 WeakPolarHBondContact O-CB 3.47Å; E27-Q31 VanDerWaalsContact O-CG 3.26Å; E27-Q31 WeakPolarHBondContact O-CG 3.49Å; E27-Q31 PolarHBondContact O-N 3.34Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 2.83Å; Q31-S34 PolarHBondContact O-N 3.38Å; Q31-V35 WeakPolarHBondContact O-CG2 3.33Å; Q31-V35 PolarHBondContact O-N 2.63Å |
| 32 | G | 88.6 | Confident | 85 | Confident | 45 Ų | 45 | 96.7 Ų | 96.7 | 46% | 0.464 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | H28 L29 V35 Y36 | H28-G32 PolarHBondContact O-N 3.13Å; H28-G32 VanDerWaalsContact O-N 3.13Å; L29-G32 CarbonylContact O-C 3.56Å; L29-G32 WeakPolarHBondContact O-CA 3.44Å; L29-G32 PolarHBondContact O-N 3.06Å; G32-V35 PolarHBondContact O-N 3.25Å; G32-Y36 PolarHBondContact O-N 3.09Å |
| 33 | F | 88.1 | Confident | 83.7 | Confident | 133 Ų | 133 | 99.5 Ų | 99.5 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.3 | -42.6 | 175.1 | -80.2 | -69.1 | 0 | 0 | 0 | 112 | L29 E30 V35 Y36 V37 | L29-F33 HydrophobicContact CB-CD2 4.36Å; L29-F33 HydrophobicContact CB-CE2 4.25Å; L29-F33 WeakPolarHBondContact O-CD2 3.39Å; L29-F33 PolarHBondContact O-N 3.38Å; E30-F33 PolarHBondContact O-N 3.25Å; F33-V35 VanDerWaalsContact C-N 3.27Å; F33-V35 PolarHBondContact O-N 2.75Å; F33-Y36 WeakPolarHBondContact O-CB 3.45Å; F33-Y36 PolarHBondContact O-N 3.09Å; F33-V37 WeakPolarHBondContact O-CG2 3.35Å; F33-V37 PolarHBondContact O-N 3.09Å |
| 34 | S | 86.6 | Confident | 82.3 | Confident | 62 Ų | 62 | 101 Ų | 101 | 43% | 0.434 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58 | -41.7 | 178.5 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | E30 Q31 Y36 V37 N38 | E30-S34 WeakPolarHBondContact O-CB 3.33Å; E30-S34 PolarHBondContact O-N 3.4Å; E30-S34 PolarHBondContact O-OG 2.87Å; Q31-S34 PolarHBondContact O-N 3.38Å; S34-Y36 VanDerWaalsContact C-N 3.35Å; S34-Y36 PolarHBondContact O-N 3.41Å; S34-V37 PolarHBondContact O-N 2.92Å; S34-N38 WeakPolarHBondContact O-CB 3.48Å; S34-N38 PolarHBondContact O-N 3.32Å; S34-N38 PolarHBondContact O-ND2 3.38Å |
| 35 | V | 81.4 | Confident | 80.7 | Confident | 83 Ų | 83 | 107.5 Ų | 107.5 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60 | -43.5 | 174.6 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | Q31 G32 F33 A40 | Q31-V35 WeakPolarHBondContact O-CG2 3.33Å; Q31-V35 PolarHBondContact O-N 2.63Å; G32-V35 PolarHBondContact O-N 3.25Å; F33-V35 VanDerWaalsContact C-N 3.27Å; F33-V35 PolarHBondContact O-N 2.75Å; V35-A40 HydrophobicContact CB-CB 4.48Å; V35-A40 HydrophobicContact CG1-CB 3.35Å; V35-A40 WeakPolarHBondContact O-CB 3.42Å; V35-A40 PolarHBondContact O-N 3.02Å; V35-A40 VanDerWaalsContact O-N 3.11Å |
| 36 | Y | 81.4 | Confident | 79 | Confident | 161 Ų | 161 | 105.1 Ų | 105.1 | 63% | 0.631 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.4 | -47.9 | 178.7 | 178.7 | -99.6 | 0 | 0 | 0 | 112.7 | G32 F33 S34 N38 G39 | G32-Y36 PolarHBondContact O-N 3.09Å; F33-Y36 WeakPolarHBondContact O-CB 3.45Å; F33-Y36 PolarHBondContact O-N 3.09Å; S34-Y36 VanDerWaalsContact C-N 3.35Å; S34-Y36 PolarHBondContact O-N 3.41Å; Y36-N38 VanDerWaalsContact C-N 3.32Å; Y36-N38 PolarHBondContact O-N 3.41Å; Y36-G39 PolarHBondContact O-N 3.47Å; Y36-G39 VanDerWaalsContact O-N 3.16Å |
| 37 | V | 81.9 | Confident | 76.9 | Confident | 111 Ų | 111 | 105.5 Ų | 105.5 | 67% | 0.673 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.1 | -37.6 | -179.8 | 172 | 0 | 0 | 0 | 0 | 111.4 | F33 S34 G39 | F33-V37 WeakPolarHBondContact O-CG2 3.35Å; F33-V37 PolarHBondContact O-N 3.09Å; S34-V37 PolarHBondContact O-N 2.92Å; V37-G39 PolarHBondContact O-N 3.48Å; V37-G39 VanDerWaalsContact O-N 3.09Å |
| 38 | N | 84.4 | Confident | 75 | Confident | 135 Ų | 135 | 108 Ų | 108 | 72% | 0.722 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 11 | 177.8 | -64.6 | -22.3 | 0 | 0 | 0 | 113.7 | S34 Y36 | S34-N38 WeakPolarHBondContact O-CB 3.48Å; S34-N38 PolarHBondContact O-N 3.32Å; S34-N38 PolarHBondContact O-ND2 3.38Å; Y36-N38 VanDerWaalsContact C-N 3.32Å; Y36-N38 PolarHBondContact O-N 3.41Å |
| 39 | G | 77.8 | Confident | 73.4 | Confident | 23 Ų | 23 | 114.6 Ų | 114.6 | 24% | 0.237 | 62% | 0.62 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 80.5 | 20.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y36 V37 N41 S42 | Y36-G39 PolarHBondContact O-N 3.47Å; Y36-G39 VanDerWaalsContact O-N 3.16Å; V37-G39 PolarHBondContact O-N 3.48Å; V37-G39 VanDerWaalsContact O-N 3.09Å; G39-N41 PolarHBondContact O-N 2.95Å; G39-S42 PolarHBondContact O-N 3.32Å; G39-S42 PolarHBondContact O-OG 3.3Å |
| 40 | A | 70.6 | Confident | 71.5 | Confident | 54 Ų | 54 | 121 Ų | 121 | 45% | 0.446 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -11 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | V35 | V35-A40 HydrophobicContact CB-CB 4.48Å; V35-A40 HydrophobicContact CG1-CB 3.35Å; V35-A40 WeakPolarHBondContact O-CB 3.42Å; V35-A40 PolarHBondContact O-N 3.02Å; V35-A40 VanDerWaalsContact O-N 3.11Å |
| 41 | N | 62.6 | Low | 69.7 | Low | 127 Ų | 127 | 120.2 Ų | 120.2 | 68% | 0.679 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 12.7 | 173.4 | -67.8 | -65.8 | 0 | 0 | 0 | 113.5 | G39 E43 | G39-N41 PolarHBondContact O-N 2.95Å; N41-E43 PolarHBondContact O-N 3Å |
| 42 | S | 68 | Low | 68 | Low | 94 Ų | 94 | 122.6 Ų | 122.6 | 66% | 0.657 | 67% | 0.671 | S | S | * | * | trans | -83.3 | 1.3 | 178.9 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | G39 L44 | G39-S42 PolarHBondContact O-N 3.32Å; G39-S42 PolarHBondContact O-OG 3.3Å; S42-L44 PolarHBondContact O-N 3.49Å | ||
| 43 | E | 64.4 | Low | 66.1 | Low | 157 Ų | 157 | 128.7 Ų | 128.7 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | trans | -58 | 113.4 | 178 | -60.6 | -78.2 | 167.3 | 0 | 0 | 111.9 | N41 K45 | N41-E43 PolarHBondContact O-N 3Å; E43-K45 PolarHBondContact O-N 3.49Å | ||
| 44 | L | 61.7 | Low | 64.4 | Low | 144 Ų | 144 | 127 Ų | 127 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | trans | -71.3 | 107.1 | 154.4 | -85.6 | 154 | 0 | 0 | 0 | 107 | S42 S46 | S42-L44 PolarHBondContact O-N 3.49Å; L44-S46 PolarHBondContact O-N 3.06Å | ||
| 45 | K | 58.2 | Low | 62.3 | Low | 209 Ų | 209 | 130.5 Ų | 130.5 | 91% | 0.909 | 71% | 0.706 | S | S | * | * | trans | -48.1 | 99.6 | -179.7 | -63.8 | 180 | 179.9 | 179.7 | 0 | 112.2 | E43 | E43-K45 PolarHBondContact O-N 3.49Š| ||
| 46 | S | 57.1 | Low | 60.9 | Low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | trans | -139 | 68.2 | 158.1 | 71.7 | 0 | 0 | 0 | 0 | 111 | L44 | L44-S46 PolarHBondContact O-N 3.06Š| ||
| 47 | S | 49.8 | Very low | 59 | Low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -173.3 | 137.8 | 149.3 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | R49 | S47-R49 PolarHBondContact O-N 2.98Š|
| 48 | P | 52.3 | Low | 57.6 | Low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | trans | -64.5 | 125.3 | 171.3 | -12 | 26.8 | 0 | 0 | 0 | 109.8 | K50 | P48-K50 PolarHBondContact O-N 2.89Š| ||
| 49 | R | 55.2 | Low | 55.4 | Low | 254 Ų | 254 | 140.2 Ų | 140.2 | 96% | 0.958 | 75% | 0.752 | S | S | * | * | trans | -52.6 | 111.8 | 173.4 | -72.3 | 176.3 | 173.5 | 179.9 | -5 | 109.9 | S47 | S47-R49 PolarHBondContact O-N 2.98Š| ||
| 50 | K | 51.3 | Low | 53.7 | Low | 205 Ų | 205 | 143.4 Ų | 143.4 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -85.6 | 134.8 | 162.4 | -70.2 | -153.8 | 178 | -173.9 | 0 | 109.2 | P48 | P48-K50 PolarHBondContact O-N 2.89Š| ||
| 51 | A | 53.8 | Low | 52.3 | Low | 93 Ų | 93 | 145.4 Ų | 145.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -65.5 | 159.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 52 | I | 52.9 | Low | 51.1 | Low | 152 Ų | 152 | 147.2 Ų | 147.2 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -42.6 | 131.7 | -179.8 | -60.4 | 153.6 | 0 | 0 | 0 | 113.5 | ||||
| 53 | H | 48.7 | Very low | 49.7 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | trans | -130.2 | 112.1 | 147.3 | -81.6 | -84 | 0 | 0 | 0 | 108.8 | ||||
| 54 | S | 52 | Low | 48.8 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | -84.4 | 99.1 | 170.1 | 53.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 55 | D | 43.6 | Very low | 47.8 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -128.5 | 104.4 | 167 | -71.6 | -47.9 | 0 | 0 | 0 | 109.5 | S57 | D55-S57 PolarHBondContact O-N 3.2Å; D55-S57 VanDerWaalsContact O-N 3.13Å | ||
| 56 | F | 51.3 | Low | 47 | Very low | 217 Ų | 217 | 142.9 Ų | 142.9 | 95% | 0.952 | 80% | 0.795 | S | S | * | * | trans | -56.5 | 110.4 | 161.3 | -87.6 | -100.1 | 0 | 0 | 0 | 108.4 | ||||
| 57 | S | 42.6 | Very low | 46.9 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -133.5 | 102.2 | 161.8 | -96.9 | 0 | 0 | 0 | 0 | 111.2 | D55 S59 | D55-S57 PolarHBondContact O-N 3.2Å; D55-S57 VanDerWaalsContact O-N 3.13Å; S57-S59 PolarHBondContact O-N 3.48Å | ||
| 58 | R | 50.6 | Low | 47.1 | Very low | 243 Ų | 243 | 147 Ų | 147 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | -46.4 | 120.6 | 159.5 | -179.2 | -177.9 | -172.2 | 173.3 | 1.4 | 110.2 | ||||
| 59 | S | 38.5 | Very low | 47.1 | Very low | 118 Ų | 118 | 151.4 Ų | 151.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -153.2 | 114.7 | 150.4 | -86.2 | 0 | 0 | 0 | 0 | 109.8 | S57 | S57-S59 PolarHBondContact O-N 3.48Š| ||
| 60 | A | 42.1 | Very low | 47.2 | Very low | 90 Ų | 90 | 141.4 Ų | 141.4 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | -76.3 | 153.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 61 | S | 42.2 | Very low | 47.2 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | trans | 135 | 135.3 | 133.8 | 70.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 62 | H | 37.6 | Very low | 47.3 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 92.8 | 91.4 | 157.2 | -59.5 | -67.7 | 0 | 0 | 0 | 121.4 | ||||
| 63 | T | 38.6 | Very low | 47.5 | Very low | 116 Ų | 116 | 142 Ų | 142 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | 43.7 | 118.3 | 119.8 | 57.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 64 | E | 45.6 | Very low | 48 | Very low | 202 Ų | 202 | 139.2 Ų | 139.2 | 94% | 0.944 | 74% | 0.737 | S | S | * | * | 54.7 | 116.6 | 121.7 | -150.9 | 166.3 | -150.1 | 0 | 0 | 120.5 | |||||
| 65 | G | 41 | Very low | 48.3 | Very low | 66 Ų | 66 | 141.5 Ų | 141.5 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | trans | 148.7 | 111.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 66 | T | 41.2 | Very low | 49.4 | Very low | 129 Ų | 129 | 142 Ų | 142 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | 98.9 | 112.6 | 144.9 | -30.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 67 | H | 54.9 | Low | 49.9 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | trans | -96.6 | 9.4 | -161 | 173 | -87.8 | 0 | 0 | 0 | 115.5 | ||||
| 68 | D | 53.7 | Low | 50.9 | Low | 127 Ų | 127 | 135.1 Ų | 135.1 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | trans | -103.7 | -7.1 | -167.2 | -89.5 | -30.9 | 0 | 0 | 0 | 117.7 | ||||
| 69 | Y | 51.6 | Low | 51.6 | Low | 206 Ų | 206 | 130.5 Ų | 130.5 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -80.8 | -19.9 | -179.4 | -79.2 | -87.1 | 0 | 0 | 0 | 114.5 | R71 | Y69-R71 PolarHBondContact O-N 3.41Š|
| 70 | G | 56.8 | Low | 52.7 | Low | 43 Ų | 43 | 129 Ų | 129 | 44% | 0.443 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -75 | -22.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T73 L74 | G70-T73 PolarHBondContact O-OG1 3.29Å; G70-L74 VanDerWaalsContact O-CG 3.3Å; G70-L74 WeakPolarHBondContact O-CG 3.36Å |
| 71 | R | 53 | Low | 53.6 | Low | 189 Ų | 189 | 127.4 Ų | 127.4 | 71% | 0.713 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -75.4 | -33 | -172.1 | -159.7 | 176.3 | -168.8 | -145.6 | 1.8 | 113.1 | Y69 | Y69-R71 PolarHBondContact O-N 3.41Å |
| 72 | R | 54.3 | Low | 54.4 | Low | 211 Ų | 211 | 129.1 Ų | 129.1 | 80% | 0.796 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -84.6 | -21.3 | -176.3 | -169.3 | 156.9 | -112.9 | -165.2 | -4.9 | 113.3 | ||
| 73 | T | 58.5 | Low | 55.4 | Low | 64 Ų | 64 | 131.4 Ų | 131.4 | 39% | 0.393 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -74.3 | -41.6 | 173.2 | 45.6 | 0 | 0 | 0 | 0 | 111.7 | G70 F75 R76 E77 | G70-T73 PolarHBondContact O-OG1 3.29Å; T73-F75 PolarHBondContact O-N 3.46Å; T73-R76 PolarHBondContact O-N 3Å; T73-E77 PolarHBondContact O-N 3.47Å; T73-E77 VanDerWaalsContact O-N 3.1Å |
| 74 | L | 59.1 | Low | 56.4 | Low | 113 Ų | 113 | 132.6 Ų | 132.6 | 59% | 0.592 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -61 | -40.9 | -179.2 | -69.3 | 172 | 0 | 0 | 0 | 113.4 | G70 E77 A78 | G70-L74 VanDerWaalsContact O-CG 3.3Å; G70-L74 WeakPolarHBondContact O-CG 3.36Å; L74-E77 PolarHBondContact O-N 3.49Å; L74-A78 WeakPolarHBondContact O-CB 3.42Å; L74-A78 PolarHBondContact O-N 3.46Å |
| 75 | F | 56.8 | Low | 56.8 | Low | 148 Ų | 148 | 127 Ų | 127 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.6 | -38.4 | 178.9 | -92 | -81.6 | 0 | 0 | 0 | 113 | T73 A78 E79 | T73-F75 PolarHBondContact O-N 3.46Å; F75-A78 PolarHBondContact O-N 3.01Å; F75-E79 PolarHBondContact O-N 3.44Å |
| 76 | R | 66.8 | Low | 57.5 | Low | 146 Ų | 146 | 129 Ų | 129 | 55% | 0.551 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.5 | -38.7 | 178.7 | -173.4 | 175.2 | 65.5 | -116.5 | 1.6 | 111.4 | T73 E79 E80 | T73-R76 PolarHBondContact O-N 3Å; R76-E79 PolarHBondContact O-N 3.35Å; R76-E80 PolarHBondContact O-N 2.82Å |
| 77 | E | 63.1 | Low | 58.1 | Low | 129 Ų | 129 | 133.9 Ų | 133.9 | 60% | 0.603 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.4 | -40.1 | 175.9 | -171.9 | 174.9 | -177.3 | 0 | 0 | 112 | T73 L74 E80 A81 | T73-E77 PolarHBondContact O-N 3.47Å; T73-E77 VanDerWaalsContact O-N 3.1Å; L74-E77 PolarHBondContact O-N 3.49Å; E77-E80 PolarHBondContact O-N 3.38Å; E77-A81 WeakPolarHBondContact O-CB 3.33Å; E77-A81 PolarHBondContact O-N 3.07Å |
| 78 | A | 63.9 | Low | 58 | Low | 59 Ų | 59 | 130.2 Ų | 130.2 | 49% | 0.488 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.7 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L74 F75 A81 L82 | L74-A78 WeakPolarHBondContact O-CB 3.42Å; L74-A78 PolarHBondContact O-N 3.46Å; F75-A78 PolarHBondContact O-N 3.01Å; A78-A81 PolarHBondContact O-N 2.94Å; A78-L82 PolarHBondContact O-N 3.31Å; A78-L82 VanDerWaalsContact O-N 3.09Å |
| 79 | E | 64.6 | Low | 57.9 | Low | 146 Ų | 146 | 128.5 Ų | 128.5 | 68% | 0.682 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.6 | -42.8 | 175.2 | -92.2 | -149.5 | 137.1 | 0 | 0 | 112.4 | F75 R76 A81 L82 R83 | F75-E79 PolarHBondContact O-N 3.44Å; R76-E79 PolarHBondContact O-N 3.35Å; E79-A81 VanDerWaalsContact C-N 3.33Å; E79-L82 PolarHBondContact O-N 3.04Å; E79-R83 WeakPolarHBondContact O-CG 3.46Å; E79-R83 PolarHBondContact O-N 3.27Å; E79-R83 VanDerWaalsContact O-N 3.15Å |
| 80 | E | 62.4 | Low | 57.9 | Low | 87 Ų | 87 | 124.8 Ų | 124.8 | 41% | 0.407 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69.2 | -33 | 178.2 | -69.3 | -174.3 | -170.9 | 0 | 0 | 112.3 | R76 E77 R83 R84 | R76-E80 PolarHBondContact O-N 2.82Å; E77-E80 PolarHBondContact O-N 3.38Å; E80-R83 PolarHBondContact O-N 3.47Å; E80-R84 VanDerWaalsContact CB-NH1 3.3Å; E80-R84 WeakPolarHBondContact O-CG 3.47Å; E80-R84 PolarHBondContact O-N 3.39Å; E80-R84 PolarHBondContact O-NH1 3.39Å; E80-R84 IonicContact OE2-CZ 3.56Å; E80-R84 IonicContact OE2-NH1 3.49Å; E80-R84 PolarHBondContact OE2-NH1 3.4Å; E80-R84 IonicContact OE2-NH2 2.73Å; E80-R84 PolarHBondContact OE2-NH2 3.09Å |
| 81 | A | 59.5 | Low | 58 | Low | 56 Ų | 56 | 127.8 Ų | 127.8 | 46% | 0.463 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -63.2 | -41.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E77 A78 E79 R83 R84 S85 | E77-A81 WeakPolarHBondContact O-CB 3.33Å; E77-A81 PolarHBondContact O-N 3.07Å; A78-A81 PolarHBondContact O-N 2.94Å; E79-A81 VanDerWaalsContact C-N 3.33Å; A81-R83 PolarHBondContact O-N 3.12Å; A81-R84 PolarHBondContact O-N 3.21Å; A81-S85 PolarHBondContact O-N 3.22Å |
| 82 | L | 60.1 | Low | 58.2 | Low | 132 Ų | 132 | 129 Ų | 129 | 69% | 0.691 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64 | -40.2 | 177.4 | -173.5 | 62.6 | 0 | 0 | 0 | 111.9 | A78 E79 R84 S85 | A78-L82 PolarHBondContact O-N 3.31Å; A78-L82 VanDerWaalsContact O-N 3.09Å; E79-L82 PolarHBondContact O-N 3.04Å; L82-R84 VanDerWaalsContact C-N 3.27Å; L82-R84 PolarHBondContact O-N 3.43Å; L82-S85 PolarHBondContact O-N 3.08Å |
| 83 | R | 58.9 | Low | 58.5 | Low | 213 Ų | 213 | 124.5 Ų | 124.5 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.7 | -26.3 | 177.1 | -72.1 | -75.3 | 175.8 | 152.7 | -2 | 113.8 | E79 E80 A81 | E79-R83 WeakPolarHBondContact O-CG 3.46Å; E79-R83 PolarHBondContact O-N 3.27Å; E79-R83 VanDerWaalsContact O-N 3.15Å; E80-R83 PolarHBondContact O-N 3.47Å; A81-R83 PolarHBondContact O-N 3.12Å |
| 84 | R | 58.2 | Low | 58.7 | Low | 140 Ų | 140 | 129.2 Ų | 129.2 | 53% | 0.528 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -88 | -19.8 | -179.6 | -67.5 | 178.8 | -167.4 | 109.3 | 3.2 | 113.7 | E80 A81 L82 S86 | E80-R84 VanDerWaalsContact CB-NH1 3.3Å; E80-R84 WeakPolarHBondContact O-CG 3.47Å; E80-R84 PolarHBondContact O-N 3.39Å; E80-R84 PolarHBondContact O-NH1 3.39Å; E80-R84 IonicContact OE2-CZ 3.56Å; E80-R84 IonicContact OE2-NH1 3.49Å; E80-R84 PolarHBondContact OE2-NH1 3.4Å; E80-R84 IonicContact OE2-NH2 2.73Å; E80-R84 PolarHBondContact OE2-NH2 3.09Å; A81-R84 PolarHBondContact O-N 3.21Å; L82-R84 VanDerWaalsContact C-N 3.27Å; L82-R84 PolarHBondContact O-N 3.43Å; R84-S86 VanDerWaalsContact C-N 3.3Å; R84-S86 PolarHBondContact O-N 2.98Å |
| 85 | S | 55.4 | Low | 58.8 | Low | 86 Ų | 86 | 133.2 Ų | 133.2 | 60% | 0.601 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -61.2 | -34.8 | -177.6 | -173.8 | 0 | 0 | 0 | 0 | 113.2 | A81 L82 R87 | A81-S85 PolarHBondContact O-N 3.22Å; L82-S85 PolarHBondContact O-N 3.08Å; S85-R87 VanDerWaalsContact C-N 3.3Å; S85-R87 PolarHBondContact O-N 3.2Å |
| 86 | S | 54.5 | Low | 59.4 | Low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -10.6 | -173.6 | -40.7 | 0 | 0 | 0 | 0 | 115.6 | R84 | R84-S86 VanDerWaalsContact C-N 3.3Å; R84-S86 PolarHBondContact O-N 2.98Å |
| 87 | R | 54.9 | Low | 59.1 | Low | 232 Ų | 232 | 131.7 Ų | 131.7 | 88% | 0.875 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 0.6 | -173.1 | -69.2 | 175.8 | 88.9 | 176.7 | 6 | 114.7 | S85 | S85-R87 VanDerWaalsContact C-N 3.3Å; S85-R87 PolarHBondContact O-N 3.2Å |
| 88 | T | 52.8 | Low | 59.1 | Low | 101 Ų | 101 | 132.8 Ų | 132.8 | 62% | 0.62 | 68% | 0.676 | S | S | * | * | trans | -111.8 | 40.6 | -168 | -31.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 89 | A | 50.6 | Low | 58.9 | Low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 69% | 0.686 | S | S | * | * | trans | -75.3 | 124.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109 | S91 | A89-S91 PolarHBondContact O-N 2.91Š| ||
| 90 | P | 51.8 | Low | 58.7 | Low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | trans | -71.2 | 118.3 | -174 | 25.6 | -31.2 | 0 | 0 | 0 | 111.5 | K92 | P90-K92 PolarHBondContact O-N 3.43Š| ||
| 91 | S | 58.4 | Low | 58.5 | Low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | trans | -81 | 109.4 | 166.8 | 67.8 | 0 | 0 | 0 | 0 | 109.8 | A89 V93 | A89-S91 PolarHBondContact O-N 2.91Å; S91-V93 PolarHBondContact O-N 2.9Å | ||
| 92 | K | 57 | Low | 58.2 | Low | 214 Ų | 214 | 142 Ų | 142 | 93% | 0.93 | 70% | 0.697 | S | S | * | * | trans | 19.6 | 83.2 | 167.1 | -60.3 | -153.7 | 179.1 | -173.5 | 0 | 116.7 | P90 | P90-K92 PolarHBondContact O-N 3.43Š| ||
| 93 | V | 60.5 | Low | 58.3 | Low | 117 Ų | 117 | 145.3 Ų | 145.3 | 71% | 0.709 | 70% | 0.701 | S | S | * | * | trans | -106.1 | 115.6 | 164.1 | 168.3 | 0 | 0 | 0 | 0 | 109.2 | S91 R95 | S91-V93 PolarHBondContact O-N 2.9Å; V93-R95 HydrophobicContact CG1-CG 4.04Å; V93-R95 PolarHBondContact O-N 3.34Å | ||
| 94 | Q | 63.8 | Low | 58.3 | Low | 163 Ų | 163 | 142.6 Ų | 142.6 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | trans | -87.4 | 90.4 | 177.6 | -139.9 | 166.4 | -28.8 | 0 | 0 | 109.1 | R96 | Q94-R96 PolarHBondContact O-N 3.32Š| ||
| 95 | R | 59.9 | Low | 58 | Low | 197 Ų | 197 | 144.4 Ų | 144.4 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | -73.5 | 109.7 | 174.8 | -71.3 | -170.8 | 178.1 | -94.1 | 2.5 | 109.8 | V93 | V93-R95 HydrophobicContact CG1-CG 4.04Å; V93-R95 PolarHBondContact O-N 3.34Å | ||
| 96 | R | 69.3 | Low | 58.4 | Low | 221 Ų | 221 | 145.2 Ų | 145.2 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | trans | -87.2 | 129.8 | 166 | -59.3 | -175.4 | -166.8 | -90 | 0.7 | 108.3 | Q94 | Q94-R96 PolarHBondContact O-N 3.32Š| ||
| 97 | G | 62.2 | Low | 59.4 | Low | 40 Ų | 40 | 147.2 Ų | 147.2 | 41% | 0.412 | 71% | 0.709 | S | S | . | * | trans | 145.8 | -22.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | H99 Q100 | G97-H99 VanDerWaalsContact C-N 3.34Å; G97-H99 PolarHBondContact O-N 3.31Å; G97-Q100 PolarHBondContact O-N 3.22Å | ||
| 98 | W | 61.6 | Low | 59.9 | Low | 152 Ų | 152 | 141.7 Ų | 141.7 | 58% | 0.576 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -66.5 | -34.5 | -176.3 | -67 | 104 | 0 | 0 | 0 | 113.3 | Q100 V101 | W98-Q100 PolarHBondContact O-N 3.25Å; W98-V101 PolarHBondContact O-N 2.97Å; W98-V101 VanDerWaalsContact O-N 3.16Å |
| 99 | H | 60.3 | Low | 60.8 | Low | 151 Ų | 151 | 143.5 Ų | 143.5 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -66.8 | -16.7 | -177.9 | -60.6 | -66.7 | 0 | 0 | 0 | 115.1 | G97 | G97-H99 VanDerWaalsContact C-N 3.34Å; G97-H99 PolarHBondContact O-N 3.31Å |
| 100 | Q | 61.5 | Low | 61.2 | Low | 144 Ų | 144 | 151.1 Ų | 151.1 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -82.4 | -32.4 | 175.4 | -71.5 | 178.9 | 0.5 | 0 | 0 | 111.4 | G97 W98 R103 | G97-Q100 PolarHBondContact O-N 3.22Å; W98-Q100 PolarHBondContact O-N 3.25Å; Q100-R103 PolarHBondContact O-N 3.02Å |
| 101 | V | 57.7 | Low | 61.6 | Low | 77 Ų | 77 | 152.3 Ų | 152.3 | 47% | 0.467 | 74% | 0.736 | S | S | . | * | H | α-helix | trans | -68.4 | -44.1 | -178.7 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | W98 R103 L104 | W98-V101 PolarHBondContact O-N 2.97Å; W98-V101 VanDerWaalsContact O-N 3.16Å; V101-R103 PolarHBondContact O-N 3.37Å; V101-L104 PolarHBondContact O-N 3.34Å |
| 102 | W | 53.7 | Low | 61.8 | Low | 170 Ų | 170 | 154.7 Ų | 154.7 | 64% | 0.644 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -65.8 | -24.1 | 179.3 | -57.8 | 111.9 | 0 | 0 | 0 | 113.7 | ||
| 103 | R | 60.4 | Low | 62.1 | Low | 202 Ų | 202 | 151.4 Ų | 151.4 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -79.9 | -18.9 | -176.5 | -124.8 | -173.4 | -66.1 | -165.9 | -1.7 | 113.7 | Q100 V101 | Q100-R103 PolarHBondContact O-N 3.02Å; V101-R103 PolarHBondContact O-N 3.37Å |
| 104 | L | 59.3 | Low | 62.2 | Low | 155 Ų | 155 | 153.4 Ų | 153.4 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -96.9 | -1.2 | 178.5 | -65.1 | 171.8 | 0 | 0 | 0 | 112.4 | V101 | V101-L104 PolarHBondContact O-N 3.34Š|
| 105 | W | 51.8 | Low | 62.1 | Low | 178 Ų | 178 | 152.8 Ų | 152.8 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -81.3 | 125.8 | 178.8 | -148.4 | -83.8 | 0 | 0 | 0 | 110.3 | Q107 | W105-Q107 PolarHBondContact O-N 3.41Š|
| 106 | P | 64.5 | Low | 62.2 | Low | 104 Ų | 104 | 149.9 Ų | 149.9 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 128.1 | 176 | -21.3 | 31.2 | 0 | 0 | 0 | 110.4 | ||
| 107 | Q | 76.1 | Confident | 61.7 | Low | 149 Ų | 149 | 144.8 Ų | 144.8 | 70% | 0.696 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 135.2 | 175.1 | -63.5 | -61.8 | -45.9 | 0 | 0 | 109.5 | W105 T109 | W105-Q107 PolarHBondContact O-N 3.41Å; Q107-T109 PolarHBondContact O-N 2.97Å |
| 108 | P | 65.7 | Low | 61.7 | Low | 116 Ų | 116 | 152.8 Ų | 152.8 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 126.5 | 171.5 | 27.1 | -30.4 | 0 | 0 | 0 | 109.5 | ||
| 109 | T | 70.6 | Confident | 61.7 | Low | 139 Ų | 139 | 152.9 Ų | 152.9 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 126.8 | 170.1 | 47 | 0 | 0 | 0 | 0 | 109.1 | Q107 | Q107-T109 PolarHBondContact O-N 2.97Š|
| 110 | L | 58.8 | Low | 61.8 | Low | 250 Ų | 250 | 153.1 Ų | 153.1 | 100% | 1.309 | 76% | 0.756 | S | S | * | * | trans | -75.5 | 0 | 167 | -71.9 | 170.9 | 0 | 0 | 0 | 110.7 |
Retrieved 110 of 110 residues in 180.3 ms
(Link to these results)