| 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 | 78.2 | Confident | 208 Ų | 208 | 121.4 Ų | 121.4 | 100% | 1.025 | 62% | 0.618 | S | S | * | * | 0 | -48.6 | 0 | -155.4 | 162.4 | -179.4 | 0 | 0 | 113.2 | S3 I4 | M1-S3 PolarHBondContact O-N 3.3Å; M1-I4 PolarHBondContact O-N 3.43Å | |||
| 2 | F | 73.7 | Confident | 78.4 | Confident | 189 Ų | 189 | 119.2 Ų | 119.2 | 83% | 0.829 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.4 | -27.5 | -178.1 | -77.8 | -83.6 | 0 | 0 | 0 | 116.8 | ||
| 3 | S | 76.4 | Confident | 78.6 | Confident | 96 Ų | 96 | 118.9 Ų | 118.9 | 67% | 0.671 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.8 | -31.6 | 178.8 | -179 | 0 | 0 | 0 | 0 | 112.9 | M1 T5 K6 I7 | M1-S3 PolarHBondContact O-N 3.3Å; S3-T5 PolarHBondContact O-N 3.33Å; S3-K6 PolarHBondContact O-N 3.37Å; S3-I7 PolarHBondContact O-N 3.31Å |
| 4 | I | 78.1 | Confident | 78.6 | Confident | 114 Ų | 114 | 115.3 Ų | 115.3 | 59% | 0.585 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.3 | -34 | -178.5 | -57.8 | 176.8 | 0 | 0 | 0 | 111 | M1 I7 Q8 | M1-I4 PolarHBondContact O-N 3.43Å; I4-I7 WeakPolarHBondContact O-CG2 3.13Å; I4-Q8 WeakPolarHBondContact O-CG 3.35Å |
| 5 | T | 78.6 | Confident | 78.3 | Confident | 103 Ų | 103 | 118.1 Ų | 118.1 | 63% | 0.632 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.1 | -33.1 | 177.2 | -46 | 0 | 0 | 0 | 0 | 112.5 | S3 L9 | S3-T5 PolarHBondContact O-N 3.33Å; T5-L9 PolarHBondContact O-N 2.94Å |
| 6 | K | 82.8 | Confident | 77.6 | Confident | 139 Ų | 139 | 117.1 Ų | 117.1 | 60% | 0.604 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.3 | -43.6 | -179.7 | -71.4 | -78.4 | -173.1 | 163.7 | 0 | 112 | S3 Q8 L9 E10 | S3-K6 PolarHBondContact O-N 3.37Å; K6-Q8 VanDerWaalsContact C-N 3.31Å; K6-Q8 PolarHBondContact O-N 3.06Å; K6-L9 WeakPolarHBondContact O-CB 3.49Å; K6-L9 PolarHBondContact O-N 3.14Å; K6-L9 VanDerWaalsContact O-N 3.14Å; K6-E10 PolarHBondContact O-N 3.38Å |
| 7 | I | 80.9 | Confident | 77.1 | Confident | 99 Ų | 99 | 118.1 Ų | 118.1 | 51% | 0.508 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.5 | -37.3 | 179.9 | -171.5 | 152.3 | 0 | 0 | 0 | 112 | S3 I4 L9 E10 V11 | S3-I7 PolarHBondContact O-N 3.31Å; I4-I7 WeakPolarHBondContact O-CG2 3.13Å; I7-L9 VanDerWaalsContact C-N 3.3Å; I7-L9 PolarHBondContact O-N 3.32Å; I7-E10 PolarHBondContact O-N 3.39Å; I7-V11 HydrophobicContact CG1-CG2 4.21Å; I7-V11 WeakPolarHBondContact O-CB 3.34Å; I7-V11 WeakPolarHBondContact O-CG2 3.16Å; I7-V11 PolarHBondContact O-N 3.38Å |
| 8 | Q | 80.7 | Confident | 76.4 | Confident | 119 Ų | 119 | 117.4 Ų | 117.4 | 56% | 0.556 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.8 | -40.3 | 176.3 | -60.5 | -64.1 | -1.5 | 0 | 0 | 111.5 | I4 K6 V12 | I4-Q8 WeakPolarHBondContact O-CG 3.35Å; K6-Q8 VanDerWaalsContact C-N 3.31Å; K6-Q8 PolarHBondContact O-N 3.06Å; Q8-V12 WeakPolarHBondContact O-CG2 3.42Å; Q8-V12 PolarHBondContact O-N 3.09Å; Q8-V12 VanDerWaalsContact O-N 3.09Å |
| 9 | L | 78.6 | Confident | 75.6 | Confident | 92 Ų | 92 | 117.2 Ų | 117.2 | 48% | 0.482 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.3 | -38.7 | 179 | -175.2 | 62.8 | 0 | 0 | 0 | 112.4 | T5 K6 I7 K13 | T5-L9 PolarHBondContact O-N 2.94Å; K6-L9 WeakPolarHBondContact O-CB 3.49Å; K6-L9 PolarHBondContact O-N 3.14Å; K6-L9 VanDerWaalsContact O-N 3.14Å; I7-L9 VanDerWaalsContact C-N 3.3Å; I7-L9 PolarHBondContact O-N 3.32Å; L9-K13 HydrophobicContact CG-CD 4.45Å; L9-K13 VanDerWaalsContact O-CG 3.29Å; L9-K13 WeakPolarHBondContact O-CG 3.38Å; L9-K13 PolarHBondContact O-N 2.95Å; L9-K13 VanDerWaalsContact O-N 3.1Å |
| 10 | E | 83.9 | Confident | 74.6 | Confident | 119 Ų | 119 | 121 Ų | 121 | 56% | 0.556 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.4 | -34.9 | 178.7 | -69.1 | -178.6 | 90.9 | 0 | 0 | 112.1 | K6 I7 K13 T14 | K6-E10 PolarHBondContact O-N 3.38Å; I7-E10 PolarHBondContact O-N 3.39Å; E10-K13 PolarHBondContact O-N 2.98Å; E10-T14 WeakPolarHBondContact O-CG2 3.49Å; E10-T14 PolarHBondContact O-N 2.96Å; E10-T14 PolarHBondContact O-OG1 3.36Å |
| 11 | V | 86.2 | Confident | 73.6 | Confident | 57 Ų | 57 | 122.1 Ų | 122.1 | 35% | 0.345 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.1 | -45 | 172.5 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | I7 K13 T14 R15 | I7-V11 HydrophobicContact CG1-CG2 4.21Å; I7-V11 WeakPolarHBondContact O-CB 3.34Å; I7-V11 WeakPolarHBondContact O-CG2 3.16Å; I7-V11 PolarHBondContact O-N 3.38Å; V11-K13 PolarHBondContact O-N 3.4Å; V11-T14 WeakPolarHBondContact CA-OG1 3.35Å; V11-T14 PolarHBondContact O-N 3.44Å; V11-T14 PolarHBondContact O-OG1 3.1Å; V11-R15 HydrophobicContact CG1-CG 4.37Å; V11-R15 WeakPolarHBondContact O-CB 3.49Å; V11-R15 WeakPolarHBondContact O-CG 3.42Å; V11-R15 PolarHBondContact O-N 2.96Å |
| 12 | V | 80.3 | Confident | 73.1 | Confident | 95 Ų | 95 | 115.1 Ų | 115.1 | 58% | 0.576 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.1 | -41.4 | 176.7 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | Q8 R15 L16 | Q8-V12 WeakPolarHBondContact O-CG2 3.42Å; Q8-V12 PolarHBondContact O-N 3.09Å; Q8-V12 VanDerWaalsContact O-N 3.09Å; V12-R15 PolarHBondContact O-N 3.41Å; V12-L16 WeakPolarHBondContact O-CB 3.18Å; V12-L16 PolarHBondContact O-N 2.96Å |
| 13 | K | 81.1 | Confident | 72 | Confident | 116 Ų | 116 | 110.4 Ų | 110.4 | 50% | 0.504 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.4 | -43.3 | 178.5 | -74.6 | 171.7 | -178.3 | 175.8 | 0 | 112.3 | L9 E10 V11 L16 Q17 | L9-K13 HydrophobicContact CG-CD 4.45Å; L9-K13 VanDerWaalsContact O-CG 3.29Å; L9-K13 WeakPolarHBondContact O-CG 3.38Å; L9-K13 PolarHBondContact O-N 2.95Å; L9-K13 VanDerWaalsContact O-N 3.1Å; E10-K13 PolarHBondContact O-N 2.98Å; V11-K13 PolarHBondContact O-N 3.4Å; K13-L16 PolarHBondContact O-N 3.26Å; K13-Q17 WeakPolarHBondContact O-CG 3.3Å; K13-Q17 PolarHBondContact O-N 3.34Å |
| 14 | T | 79.2 | Confident | 70.9 | Confident | 68 Ų | 68 | 109.5 Ų | 109.5 | 42% | 0.417 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.8 | -38.9 | 178.9 | 52 | 0 | 0 | 0 | 0 | 111.3 | E10 V11 L16 Q17 L18 | E10-T14 WeakPolarHBondContact O-CG2 3.49Å; E10-T14 PolarHBondContact O-N 2.96Å; E10-T14 PolarHBondContact O-OG1 3.36Å; V11-T14 WeakPolarHBondContact CA-OG1 3.35Å; V11-T14 PolarHBondContact O-N 3.44Å; V11-T14 PolarHBondContact O-OG1 3.1Å; T14-L16 PolarHBondContact O-N 2.87Å; T14-Q17 PolarHBondContact O-N 3.48Å; T14-L18 WeakPolarHBondContact O-CB 3.21Å; T14-L18 WeakPolarHBondContact O-CG 3.47Å; T14-L18 PolarHBondContact O-N 3.45Å |
| 15 | R | 73.5 | Confident | 69.2 | Low | 158 Ų | 158 | 109.4 Ų | 109.4 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.1 | -42.4 | 173.4 | -69.7 | -68.8 | -152.4 | -107.7 | 0.4 | 112.5 | V11 V12 Q17 L18 I19 | V11-R15 HydrophobicContact CG1-CG 4.37Å; V11-R15 WeakPolarHBondContact O-CB 3.49Å; V11-R15 WeakPolarHBondContact O-CG 3.42Å; V11-R15 PolarHBondContact O-N 2.96Å; V12-R15 PolarHBondContact O-N 3.41Å; R15-Q17 VanDerWaalsContact C-N 3.33Å; R15-Q17 PolarHBondContact O-N 3.46Å; R15-L18 PolarHBondContact O-N 3.25Å; R15-I19 WeakPolarHBondContact O-CG1 3.22Å; R15-I19 PolarHBondContact O-N 2.93Å |
| 16 | L | 66.9 | Low | 67.8 | Low | 101 Ų | 101 | 108.3 Ų | 108.3 | 53% | 0.529 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.3 | -34.8 | 176.7 | -174.1 | 61.9 | 0 | 0 | 0 | 112.3 | V12 K13 T14 I19 R20 | V12-L16 WeakPolarHBondContact O-CB 3.18Å; V12-L16 PolarHBondContact O-N 2.96Å; K13-L16 PolarHBondContact O-N 3.26Å; T14-L16 PolarHBondContact O-N 2.87Å; L16-I19 PolarHBondContact O-N 2.85Å; L16-R20 WeakPolarHBondContact O-CB 3.07Å; L16-R20 WeakPolarHBondContact O-CG 3.27Å; L16-R20 PolarHBondContact O-N 3.45Å |
| 17 | Q | 69.9 | Low | 66 | Low | 135 Ų | 135 | 106.9 Ų | 106.9 | 63% | 0.631 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.9 | -36.9 | 173.1 | -72.1 | 175.9 | 5.7 | 0 | 0 | 112.2 | K13 T14 R15 R20 K21 | K13-Q17 WeakPolarHBondContact O-CG 3.3Å; K13-Q17 PolarHBondContact O-N 3.34Å; T14-Q17 PolarHBondContact O-N 3.48Å; R15-Q17 VanDerWaalsContact C-N 3.33Å; R15-Q17 PolarHBondContact O-N 3.46Å; Q17-R20 PolarHBondContact O-N 2.8Å; Q17-K21 VanDerWaalsContact O-CB 3.22Å; Q17-K21 WeakPolarHBondContact O-CB 3.41Å; Q17-K21 PolarHBondContact O-N 3.4Å |
| 18 | L | 63.8 | Low | 64.4 | Low | 106 Ų | 106 | 111.3 Ų | 111.3 | 56% | 0.555 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64 | -39.6 | 173.6 | -70.8 | 168.6 | 0 | 0 | 0 | 111.2 | T14 R15 A22 | T14-L18 WeakPolarHBondContact O-CB 3.21Å; T14-L18 WeakPolarHBondContact O-CG 3.47Å; T14-L18 PolarHBondContact O-N 3.45Å; R15-L18 PolarHBondContact O-N 3.25Å; L18-A22 WeakPolarHBondContact O-CB 3.4Å; L18-A22 PolarHBondContact O-N 3.32Å |
| 19 | I | 60.5 | Low | 63.1 | Low | 112 Ų | 112 | 114.4 Ų | 114.4 | 57% | 0.574 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.2 | -44.4 | 175.2 | -65.6 | 168.2 | 0 | 0 | 0 | 111.2 | R15 L16 K21 A22 A23 | R15-I19 WeakPolarHBondContact O-CG1 3.22Å; R15-I19 PolarHBondContact O-N 2.93Å; L16-I19 PolarHBondContact O-N 2.85Å; I19-K21 VanDerWaalsContact C-N 3.29Å; I19-K21 PolarHBondContact O-N 2.86Å; I19-A22 PolarHBondContact O-N 3.07Å; I19-A23 WeakPolarHBondContact O-CB 3.23Å; I19-A23 PolarHBondContact O-N 3.04Å |
| 20 | R | 56.5 | Low | 62 | Low | 193 Ų | 193 | 111.9 Ų | 111.9 | 73% | 0.728 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.5 | -31 | 178.2 | -75.2 | 177.4 | 72.8 | 138.6 | 1.9 | 112.7 | L16 Q17 S24 | L16-R20 WeakPolarHBondContact O-CB 3.07Å; L16-R20 WeakPolarHBondContact O-CG 3.27Å; L16-R20 PolarHBondContact O-N 3.45Å; Q17-R20 PolarHBondContact O-N 2.8Å; R20-S24 PolarHBondContact O-N 3.13Å |
| 21 | K | 54 | Low | 60.8 | Low | 145 Ų | 145 | 113 Ų | 113 | 63% | 0.63 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -80.9 | -36.4 | 174 | -169.5 | 165.3 | 176.9 | 174.8 | 0 | 111.9 | Q17 I19 S24 D25 | Q17-K21 VanDerWaalsContact O-CB 3.22Å; Q17-K21 WeakPolarHBondContact O-CB 3.41Å; Q17-K21 PolarHBondContact O-N 3.4Å; I19-K21 VanDerWaalsContact C-N 3.29Å; I19-K21 PolarHBondContact O-N 2.86Å; K21-S24 CarbonylContact O-C 3.46Å; K21-S24 VanDerWaalsContact O-C 3.32Å; K21-S24 VanDerWaalsContact O-CA 3.27Å; K21-S24 WeakPolarHBondContact O-CA 3.29Å; K21-S24 VanDerWaalsContact O-CB 3.23Å; K21-S24 WeakPolarHBondContact O-CB 3.37Å; K21-S24 PolarHBondContact O-N 2.94Å; K21-D25 VanDerWaalsContact O-CB 3.3Å; K21-D25 WeakPolarHBondContact O-CB 3.44Å; K21-D25 PolarHBondContact O-N 3.48Å |
| 22 | A | 50.6 | Low | 59.6 | Low | 62 Ų | 62 | 114.9 Ų | 114.9 | 51% | 0.512 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.4 | -36.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L18 I19 S24 D25 | L18-A22 WeakPolarHBondContact O-CB 3.4Å; L18-A22 PolarHBondContact O-N 3.32Å; I19-A22 PolarHBondContact O-N 3.07Å; A22-S24 PolarHBondContact O-N 2.94Å; A22-D25 PolarHBondContact O-N 3.43Å; A22-D25 VanDerWaalsContact O-N 3.13Å |
| 23 | A | 50.2 | Low | 58.8 | Low | 90 Ų | 90 | 112.9 Ų | 112.9 | 74% | 0.744 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -18.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I19 | I19-A23 WeakPolarHBondContact O-CB 3.23Å; I19-A23 PolarHBondContact O-N 3.04Å |
| 24 | S | 52 | Low | 57.9 | Low | 77 Ų | 77 | 109.1 Ų | 109.1 | 54% | 0.538 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.9 | -4.6 | 173.1 | -176.3 | 0 | 0 | 0 | 0 | 113.3 | R20 K21 A22 | R20-S24 PolarHBondContact O-N 3.13Å; K21-S24 CarbonylContact O-C 3.46Å; K21-S24 VanDerWaalsContact O-C 3.32Å; K21-S24 VanDerWaalsContact O-CA 3.27Å; K21-S24 WeakPolarHBondContact O-CA 3.29Å; K21-S24 VanDerWaalsContact O-CB 3.23Å; K21-S24 WeakPolarHBondContact O-CB 3.37Å; K21-S24 PolarHBondContact O-N 2.94Å; A22-S24 PolarHBondContact O-N 2.94Å |
| 25 | D | 43.5 | Very low | 57 | Low | 111 Ų | 111 | 110.6 Ų | 110.6 | 59% | 0.594 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -134.6 | 37.5 | -166.7 | -145.1 | -11.1 | 0 | 0 | 0 | 114.1 | K21 A22 | K21-D25 VanDerWaalsContact O-CB 3.3Å; K21-D25 WeakPolarHBondContact O-CB 3.44Å; K21-D25 PolarHBondContact O-N 3.48Å; A22-D25 PolarHBondContact O-N 3.43Å; A22-D25 VanDerWaalsContact O-N 3.13Å |
| 26 | A | 48.7 | Very low | 56.5 | Low | 81 Ų | 81 | 111.9 Ų | 111.9 | 67% | 0.669 | 59% | 0.593 | S | S | * | * | trans | -147.6 | 109.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 27 | T | 45.2 | Very low | 56.3 | Low | 109 Ų | 109 | 113.6 Ų | 113.6 | 67% | 0.669 | 59% | 0.592 | S | S | * | * | S | Bend | cis | -168.8 | 157.4 | 12.3 | -55.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 28 | Y | 46.2 | Very low | 56.1 | Low | 191 Ų | 191 | 109.6 Ų | 109.6 | 75% | 0.749 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 84 | 109.7 | 166.7 | -73 | -86.6 | 0 | 0 | 0 | 115.9 | ||
| 29 | K | 55.1 | Low | 55.9 | Low | 185 Ų | 185 | 105.6 Ų | 105.6 | 80% | 0.804 | 56% | 0.557 | S | S | * | * | S | Bend | cis | -145.8 | 26.6 | 22.4 | -156.2 | 172.4 | 178.3 | -179 | 0 | 112.8 | ||
| 30 | G | 54.8 | Low | 55.8 | Low | 38 Ų | 38 | 108.9 Ų | 108.9 | 39% | 0.392 | 57% | 0.567 | S | S | . | * | trans | 149.8 | 156.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | S32 D33 A34 | G30-S32 PolarHBondContact O-N 2.76Å; G30-D33 CarbonylContact O-C 3.32Å; G30-D33 PolarHBondContact O-N 2.71Å; G30-A34 PolarHBondContact O-N 2.97Å | ||
| 31 | I | 59.1 | Low | 55.9 | Low | 142 Ų | 142 | 107.1 Ų | 107.1 | 73% | 0.728 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -55.3 | -35.5 | 178.8 | -65 | 160 | 0 | 0 | 0 | 111.2 | F35 | I31-F35 WeakPolarHBondContact O-CB 3.13Å; I31-F35 PolarHBondContact O-N 3.19Å |
| 32 | S | 60.9 | Low | 56 | Low | 97 Ų | 97 | 107.2 Ų | 107.2 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.2 | -37.7 | 176.1 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | G30 R36 | G30-S32 PolarHBondContact O-N 2.76Å; S32-R36 WeakPolarHBondContact O-CB 3.27Å; S32-R36 PolarHBondContact O-N 2.82Å |
| 33 | D | 62.8 | Low | 56.2 | Low | 53 Ų | 53 | 105.4 Ų | 105.4 | 28% | 0.283 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -75 | -37.5 | 175.9 | -166.7 | 36 | 0 | 0 | 0 | 111.2 | G30 R36 R37 | G30-D33 CarbonylContact O-C 3.32Å; G30-D33 PolarHBondContact O-N 2.71Å; D33-R36 CarbonylContact O-C 3.59Å; D33-R36 PolarHBondContact O-N 3.34Å; D33-R37 VanDerWaalsContact O-CB 3.27Å; D33-R37 WeakPolarHBondContact O-CB 3.47Å; D33-R37 WeakPolarHBondContact O-CG 3.38Å; D33-R37 PolarHBondContact O-N 2.83Å |
| 34 | A | 62.7 | Low | 56.3 | Low | 37 Ų | 37 | 104.2 Ų | 104.2 | 31% | 0.306 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G30 R36 R37 I38 | G30-A34 PolarHBondContact O-N 2.97Å; A34-R36 VanDerWaalsContact C-N 3.3Å; A34-R36 PolarHBondContact O-N 3.26Å; A34-R37 PolarHBondContact O-N 2.74Å; A34-I38 VanDerWaalsContact O-CB 3.28Å; A34-I38 WeakPolarHBondContact O-CB 3.4Å; A34-I38 WeakPolarHBondContact O-CD1 3.19Å; A34-I38 WeakPolarHBondContact O-CG1 3.43Å; A34-I38 PolarHBondContact O-N 2.68Å |
| 35 | F | 60.9 | Low | 56.4 | Low | 99 Ų | 99 | 109.2 Ų | 109.2 | 43% | 0.434 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.6 | -41.1 | 175.4 | -164.6 | -94.9 | 0 | 0 | 0 | 110.9 | I31 A39 F47 F48 | I31-F35 WeakPolarHBondContact O-CB 3.13Å; I31-F35 PolarHBondContact O-N 3.19Å; F35-A39 WeakPolarHBondContact O-CA 2.93Å; F35-A39 WeakPolarHBondContact O-CB 3.14Å; F35-A39 PolarHBondContact O-N 2.71Å; F35-F47 HydrophobicContact CE2-CD1 4.07Å; F35-F47 AromaticContact CE2-CE1 3.8Å; F35-F47 HydrophobicContact CE2-CE1 3.8Å; F35-F47 HydrophobicContact CZ-CD1 4.48Å; F35-F48 HydrophobicContact CE1-CE2 4.21Å; F35-F48 AromaticContact CZ-CE2 3.89Å; F35-F48 HydrophobicContact CZ-CE2 3.89Å; F35-F48 HydrophobicContact CZ-CZ 4.49Å |
| 36 | R | 63 | Low | 57.1 | Low | 185 Ų | 185 | 106.5 Ų | 106.5 | 70% | 0.698 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.4 | -36.9 | 176 | -171.8 | 178 | -175.4 | -179.9 | 1.7 | 112.6 | S32 D33 A34 A39 K40 | S32-R36 WeakPolarHBondContact O-CB 3.27Å; S32-R36 PolarHBondContact O-N 2.82Å; D33-R36 CarbonylContact O-C 3.59Å; D33-R36 PolarHBondContact O-N 3.34Å; A34-R36 VanDerWaalsContact C-N 3.3Å; A34-R36 PolarHBondContact O-N 3.26Å; R36-A39 WeakPolarHBondContact O-CB 3.28Å; R36-K40 WeakPolarHBondContact O-CB 3.05Å; R36-K40 PolarHBondContact O-N 3.25Å |
| 37 | R | 63.1 | Low | 57.4 | Low | 137 Ų | 137 | 107.6 Ų | 107.6 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.5 | -51.4 | 175 | -86.5 | -176.9 | 170.2 | -157.9 | -5.4 | 110.8 | D33 A34 A39 K40 E41 | D33-R37 VanDerWaalsContact O-CB 3.27Å; D33-R37 WeakPolarHBondContact O-CB 3.47Å; D33-R37 WeakPolarHBondContact O-CG 3.38Å; D33-R37 PolarHBondContact O-N 2.83Å; A34-R37 PolarHBondContact O-N 2.74Å; R37-A39 PolarHBondContact O-N 3.31Å; R37-K40 CarbonylContact O-C 3.57Å; R37-K40 WeakPolarHBondContact O-CA 3.46Å; R37-K40 PolarHBondContact O-N 3.41Å; R37-E41 WeakPolarHBondContact O-CA 3.32Å; R37-E41 WeakPolarHBondContact O-CB 3.4Å; R37-E41 PolarHBondContact O-N 3.43Å |
| 38 | I | 65.2 | Low | 58 | Low | 52 Ų | 52 | 105.8 Ų | 105.8 | 27% | 0.267 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -53.3 | -45.9 | 172.2 | -66.2 | 161.6 | 0 | 0 | 0 | 109.8 | A34 K40 E42 G43 F47 | A34-I38 VanDerWaalsContact O-CB 3.28Å; A34-I38 WeakPolarHBondContact O-CB 3.4Å; A34-I38 WeakPolarHBondContact O-CD1 3.19Å; A34-I38 WeakPolarHBondContact O-CG1 3.43Å; A34-I38 PolarHBondContact O-N 2.68Å; I38-K40 PolarHBondContact O-N 2.81Å; I38-E42 WeakPolarHBondContact O-CA 3.14Å; I38-E42 PolarHBondContact O-N 2.85Å; I38-G43 PolarHBondContact O-N 3Å; I38-F47 HydrophobicContact CG2-CB 4.39Å; I38-F47 HydrophobicContact CG2-CD2 4.3Å |
| 39 | A | 59.3 | Low | 58.6 | Low | 21 Ų | 21 | 104.7 Ų | 104.7 | 17% | 0.174 | 52% | 0.517 | C | S | . | . | I | π-helix | trans | -58.7 | -29.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F35 R36 R37 G43 V44 | F35-A39 WeakPolarHBondContact O-CA 2.93Å; F35-A39 WeakPolarHBondContact O-CB 3.14Å; F35-A39 PolarHBondContact O-N 2.71Å; R36-A39 WeakPolarHBondContact O-CB 3.28Å; R37-A39 PolarHBondContact O-N 3.31Å; A39-G43 CarbonylContact O-C 3.19Å; A39-G43 WeakPolarHBondContact O-CA 3.48Å; A39-V44 HydrophobicContact CB-CB 4.35Å; A39-V44 HydrophobicContact CB-CG2 3.32Å; A39-V44 WeakPolarHBondContact O-CG2 3.5Å; A39-V44 PolarHBondContact O-N 3.41Å |
| 40 | K | 58.3 | Low | 59 | Low | 182 Ų | 182 | 98.4 Ų | 98.4 | 79% | 0.791 | 51% | 0.505 | S | S | * | . | I | π-helix | trans | -98.2 | -30.1 | -176.7 | -168.8 | 178.7 | -178.7 | -170.4 | 0 | 112.9 | R36 R37 I38 | R36-K40 WeakPolarHBondContact O-CB 3.05Å; R36-K40 PolarHBondContact O-N 3.25Å; R37-K40 CarbonylContact O-C 3.57Å; R37-K40 WeakPolarHBondContact O-CA 3.46Å; R37-K40 PolarHBondContact O-N 3.41Å; I38-K40 PolarHBondContact O-N 2.81Å |
| 41 | E | 57.9 | Low | 59.7 | Low | 155 Ų | 155 | 98.2 Ų | 98.2 | 72% | 0.724 | 50% | 0.5 | S | S | * | . | I | π-helix | trans | -101 | -40.7 | -166.7 | -157.9 | 159.2 | -162.6 | 0 | 0 | 110.4 | R37 | R37-E41 WeakPolarHBondContact O-CA 3.32Å; R37-E41 WeakPolarHBondContact O-CB 3.4Å; R37-E41 PolarHBondContact O-N 3.43Å |
| 42 | E | 56.6 | Low | 60.1 | Low | 148 Ų | 148 | 93.1 Ų | 93.1 | 69% | 0.692 | 48% | 0.479 | S | S | * | . | I | π-helix | trans | -96.8 | -10.5 | 166.2 | -62 | -148.1 | 169.3 | 0 | 0 | 112.9 | I38 A46 | I38-E42 WeakPolarHBondContact O-CA 3.14Å; I38-E42 PolarHBondContact O-N 2.85Å; E42-A46 HydrophobicContact CB-CB 4.4Å; E42-A46 WeakPolarHBondContact O-CB 3.11Å |
| 43 | G | 54.4 | Low | 60.7 | Low | 23 Ų | 23 | 92.5 Ų | 92.5 | 24% | 0.237 | 47% | 0.474 | C | S | . | . | I | π-helix | trans | 81.7 | 132.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111 | I38 A39 F45 A46 | I38-G43 PolarHBondContact O-N 3Å; A39-G43 CarbonylContact O-C 3.19Å; A39-G43 WeakPolarHBondContact O-CA 3.48Å; G43-F45 PolarHBondContact O-N 2.99Å; G43-A46 PolarHBondContact O-N 3.33Å |
| 44 | V | 52.7 | Low | 61.4 | Low | 66 Ų | 66 | 99.1 Ų | 99.1 | 40% | 0.4 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -46.7 | -37.2 | 168.1 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | A39 A46 F47 F48 | A39-V44 HydrophobicContact CB-CB 4.35Å; A39-V44 HydrophobicContact CB-CG2 3.32Å; A39-V44 WeakPolarHBondContact O-CG2 3.5Å; A39-V44 PolarHBondContact O-N 3.41Å; V44-A46 PolarHBondContact O-N 2.72Å; V44-F47 PolarHBondContact O-N 3.25Å; V44-F48 HydrophobicContact CB-CD2 4.32Å; V44-F48 HydrophobicContact CG1-CB 4.29Å; V44-F48 HydrophobicContact CG1-CD2 3.09Å; V44-F48 HydrophobicContact CG1-CE2 3.38Å; V44-F48 HydrophobicContact CG1-CG 3.76Å; V44-F48 HydrophobicContact CG1-CZ 4.25Å; V44-F48 WeakPolarHBondContact O-CA 3.47Å; V44-F48 WeakPolarHBondContact O-CB 3.49Å; V44-F48 WeakPolarHBondContact O-CD2 3.25Å; V44-F48 PolarHBondContact O-N 3.24Å |
| 45 | F | 55.3 | Low | 62.1 | Low | 181 Ų | 181 | 102.4 Ų | 102.4 | 79% | 0.794 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.2 | -37.5 | 178.6 | -119.2 | -87.5 | 0 | 0 | 0 | 114.6 | G43 K49 | G43-F45 PolarHBondContact O-N 2.99Å; F45-K49 WeakPolarHBondContact O-CB 3.22Å; F45-K49 PolarHBondContact O-N 2.81Å |
| 46 | A | 56.6 | Low | 63.2 | Low | 54 Ų | 54 | 100.9 Ų | 100.9 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.8 | -46.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E42 G43 V44 K49 | E42-A46 HydrophobicContact CB-CB 4.4Å; E42-A46 WeakPolarHBondContact O-CB 3.11Å; G43-A46 PolarHBondContact O-N 3.33Å; V44-A46 PolarHBondContact O-N 2.72Å; A46-K49 PolarHBondContact O-N 3Å |
| 47 | F | 56.2 | Low | 64.3 | Low | 105 Ų | 105 | 97 Ų | 97 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.5 | -43.5 | 177.7 | -165.5 | -92.7 | 0 | 0 | 0 | 112.2 | F35 I38 V44 K49 G50 A51 | F35-F47 HydrophobicContact CE2-CD1 4.07Å; F35-F47 AromaticContact CE2-CE1 3.8Å; F35-F47 HydrophobicContact CE2-CE1 3.8Å; F35-F47 HydrophobicContact CZ-CD1 4.48Å; I38-F47 HydrophobicContact CG2-CB 4.39Å; I38-F47 HydrophobicContact CG2-CD2 4.3Å; V44-F47 PolarHBondContact O-N 3.25Å; F47-K49 VanDerWaalsContact C-N 3.29Å; F47-K49 PolarHBondContact O-N 3.19Å; F47-G50 PolarHBondContact O-N 2.96Å; F47-A51 HydrophobicContact CD1-CB 4.46Å; F47-A51 HydrophobicContact CE1-CB 4.45Å; F47-A51 PolarHBondContact O-N 3.5Å |
| 48 | F | 56.6 | Low | 65.5 | Low | 70 Ų | 70 | 95.5 Ų | 95.5 | 31% | 0.307 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.9 | -21.7 | 172.8 | -84.7 | -109.8 | 0 | 0 | 0 | 111.8 | F35 V44 G50 A51 A52 M55 | F35-F48 HydrophobicContact CE1-CE2 4.21Å; F35-F48 AromaticContact CZ-CE2 3.89Å; F35-F48 HydrophobicContact CZ-CE2 3.89Å; F35-F48 HydrophobicContact CZ-CZ 4.49Å; V44-F48 HydrophobicContact CB-CD2 4.32Å; V44-F48 HydrophobicContact CG1-CB 4.29Å; V44-F48 HydrophobicContact CG1-CD2 3.09Å; V44-F48 HydrophobicContact CG1-CE2 3.38Å; V44-F48 HydrophobicContact CG1-CG 3.76Å; V44-F48 HydrophobicContact CG1-CZ 4.25Å; V44-F48 WeakPolarHBondContact O-CA 3.47Å; V44-F48 WeakPolarHBondContact O-CB 3.49Å; V44-F48 WeakPolarHBondContact O-CD2 3.25Å; V44-F48 PolarHBondContact O-N 3.24Å; F48-G50 PolarHBondContact O-N 3.04Å; F48-A51 PolarHBondContact O-N 3.4Å; F48-A52 HydrophobicContact CB-CB 4.11Å; F48-A52 HydrophobicContact CD1-CB 4.17Å; F48-A52 WeakPolarHBondContact O-CA 3.5Å; F48-A52 WeakPolarHBondContact O-CB 2.8Å; F48-A52 PolarHBondContact O-N 3.16Å; F48-M55 HydrophobicContact CE1-CE 4.09Å |
| 49 | K | 59.6 | Low | 66.8 | Low | 168 Ų | 168 | 95.9 Ų | 95.9 | 73% | 0.73 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -39 | 173.2 | -169.5 | 170.5 | -177.5 | 177.7 | 0 | 111.3 | F45 A46 F47 C53 | F45-K49 WeakPolarHBondContact O-CB 3.22Å; F45-K49 PolarHBondContact O-N 2.81Å; A46-K49 PolarHBondContact O-N 3Å; F47-K49 VanDerWaalsContact C-N 3.29Å; F47-K49 PolarHBondContact O-N 3.19Å; K49-C53 VanDerWaalsContact O-CB 3.25Å; K49-C53 WeakPolarHBondContact O-CB 3.12Å; K49-C53 PolarHBondContact O-N 3.38Å |
| 50 | G | 63.3 | Low | 68.4 | Low | 53 Ų | 53 | 98.3 Ų | 98.3 | 55% | 0.546 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -76.2 | -50.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | F47 F48 C53 R54 | F47-G50 PolarHBondContact O-N 2.96Å; F48-G50 PolarHBondContact O-N 3.04Å; G50-C53 WeakPolarHBondContact O-CB 3.45Å; G50-C53 PolarHBondContact O-N 3.46Å; G50-R54 PolarHBondContact O-N 3.41Å |
| 51 | A | 68.3 | Low | 69.9 | Low | 35 Ų | 35 | 95.1 Ų | 95.1 | 29% | 0.289 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.1 | -40.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F47 F48 C53 R54 M55 | F47-A51 HydrophobicContact CD1-CB 4.46Å; F47-A51 HydrophobicContact CE1-CB 4.45Å; F47-A51 PolarHBondContact O-N 3.5Å; F48-A51 PolarHBondContact O-N 3.4Å; A51-C53 VanDerWaalsContact C-N 3.34Å; A51-R54 CarbonylContact O-C 3.57Å; A51-R54 WeakPolarHBondContact O-CA 3.19Å; A51-R54 WeakPolarHBondContact O-CB 3.4Å; A51-R54 PolarHBondContact O-N 3.29Å; A51-R54 VanDerWaalsContact O-N 3.16Å; A51-M55 WeakPolarHBondContact O-CB 3.38Å; A51-M55 PolarHBondContact O-N 2.81Å |
| 52 | A | 68.2 | Low | 71.5 | Confident | 35 Ų | 35 | 94.2 Ų | 94.2 | 29% | 0.289 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.8 | -28.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F48 R54 M55 A56 | F48-A52 HydrophobicContact CB-CB 4.11Å; F48-A52 HydrophobicContact CD1-CB 4.17Å; F48-A52 WeakPolarHBondContact O-CA 3.5Å; F48-A52 WeakPolarHBondContact O-CB 2.8Å; F48-A52 PolarHBondContact O-N 3.16Å; A52-R54 VanDerWaalsContact C-N 3.28Å; A52-R54 PolarHBondContact O-N 2.61Å; A52-M55 CarbonylContact O-C 3.58Å; A52-M55 PolarHBondContact O-N 3.35Å; A52-A56 WeakPolarHBondContact O-CA 3.35Å; A52-A56 WeakPolarHBondContact O-CB 3.25Å; A52-A56 PolarHBondContact O-N 2.99Å |
| 53 | C | 73.8 | Confident | 73.3 | Confident | 84 Ų | 84 | 89 Ų | 89 | 57% | 0.568 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.2 | -46.4 | 167.5 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | K49 G50 A51 M55 A56 V57 | K49-C53 VanDerWaalsContact O-CB 3.25Å; K49-C53 WeakPolarHBondContact O-CB 3.12Å; K49-C53 PolarHBondContact O-N 3.38Å; G50-C53 WeakPolarHBondContact O-CB 3.45Å; G50-C53 PolarHBondContact O-N 3.46Å; A51-C53 VanDerWaalsContact C-N 3.34Å; C53-M55 PolarHBondContact O-N 2.91Å; C53-A56 PolarHBondContact O-N 3.35Å; C53-V57 PolarHBondContact O-N 2.85Å |
| 54 | R | 76.7 | Confident | 75.2 | Confident | 192 Ų | 192 | 93.1 Ų | 93.1 | 73% | 0.725 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | 174.2 | -168.1 | 178.9 | -69.4 | -173 | -2.4 | 111.9 | G50 A51 A52 V57 M58 | G50-R54 PolarHBondContact O-N 3.41Å; A51-R54 CarbonylContact O-C 3.57Å; A51-R54 WeakPolarHBondContact O-CA 3.19Å; A51-R54 WeakPolarHBondContact O-CB 3.4Å; A51-R54 PolarHBondContact O-N 3.29Å; A51-R54 VanDerWaalsContact O-N 3.16Å; A52-R54 VanDerWaalsContact C-N 3.28Å; A52-R54 PolarHBondContact O-N 2.61Å; R54-V57 PolarHBondContact O-N 3.43Å; R54-M58 WeakPolarHBondContact O-CG 3.31Å; R54-M58 PolarHBondContact O-N 3.24Å |
| 55 | M | 79.3 | Confident | 77.1 | Confident | 105 Ų | 105 | 92.7 Ų | 92.7 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.7 | -35.9 | -179.4 | -149 | 179.8 | -66.7 | 0 | 0 | 112.3 | F48 A51 A52 C53 V57 M58 A59 | F48-M55 HydrophobicContact CE1-CE 4.09Å; A51-M55 WeakPolarHBondContact O-CB 3.38Å; A51-M55 PolarHBondContact O-N 2.81Å; A52-M55 CarbonylContact O-C 3.58Å; A52-M55 PolarHBondContact O-N 3.35Å; C53-M55 PolarHBondContact O-N 2.91Å; M55-V57 VanDerWaalsContact C-N 3.27Å; M55-V57 PolarHBondContact O-N 2.75Å; M55-M58 PolarHBondContact O-N 3.24Å; M55-A59 WeakPolarHBondContact O-CB 3.11Å; M55-A59 PolarHBondContact O-N 3.36Å |
| 56 | A | 82.4 | Confident | 78.9 | Confident | 67 Ų | 67 | 88 Ų | 88 | 55% | 0.554 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.2 | -25.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A52 C53 P60 | A52-A56 WeakPolarHBondContact O-CA 3.35Å; A52-A56 WeakPolarHBondContact O-CB 3.25Å; A52-A56 PolarHBondContact O-N 2.99Å; C53-A56 PolarHBondContact O-N 3.35Å; A56-P60 WeakPolarHBondContact O-CD 3.17Å; A56-P60 VanDerWaalsContact O-CG 3.31Å; A56-P60 WeakPolarHBondContact O-CG 3.48Å |
| 57 | V | 87.5 | Confident | 80.6 | Confident | 103 Ų | 103 | 91.4 Ų | 91.4 | 62% | 0.624 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -82.1 | -39.1 | 170.5 | 178.1 | 0 | 0 | 0 | 0 | 111 | C53 R54 M55 P60 | C53-V57 PolarHBondContact O-N 2.85Å; R54-V57 PolarHBondContact O-N 3.43Å; M55-V57 VanDerWaalsContact C-N 3.27Å; M55-V57 PolarHBondContact O-N 2.75Å; V57-P60 WeakPolarHBondContact O-CD 3.1Å |
| 58 | M | 87.5 | Confident | 82.4 | Confident | 107 Ų | 107 | 91 Ų | 91 | 53% | 0.527 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.8 | -31.4 | -179.9 | -68.3 | -65.1 | -179.4 | 0 | 0 | 113 | R54 M55 L61 F62 | R54-M58 WeakPolarHBondContact O-CG 3.31Å; R54-M58 PolarHBondContact O-N 3.24Å; M55-M58 PolarHBondContact O-N 3.24Å; M58-L61 PolarHBondContact O-N 3.48Å; M58-L61 HydrophobicContact SD-CD2 4.41Å; M58-F62 VanDerWaalsContact O-CB 3.25Å; M58-F62 WeakPolarHBondContact O-CB 2.87Å; M58-F62 PolarHBondContact O-N 3.41Å |
| 59 | A | 91.4 | Very high | 84 | Confident | 59 Ų | 59 | 95 Ų | 95 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M55 F62 G63 | M55-A59 WeakPolarHBondContact O-CB 3.11Å; M55-A59 PolarHBondContact O-N 3.36Å; A59-F62 PolarHBondContact O-N 3.38Å; A59-G63 PolarHBondContact O-N 3.49Å |
| 60 | P | 93.2 | Very high | 85.5 | Confident | 73 Ų | 73 | 93.9 Ų | 93.9 | 47% | 0.474 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 172 | -24.4 | 33.5 | 0 | 0 | 0 | 112.8 | A56 V57 F62 G63 I64 | A56-P60 WeakPolarHBondContact O-CD 3.17Å; A56-P60 VanDerWaalsContact O-CG 3.31Å; A56-P60 WeakPolarHBondContact O-CG 3.48Å; V57-P60 WeakPolarHBondContact O-CD 3.1Å; P60-F62 VanDerWaalsContact C-N 3.31Å; P60-F62 PolarHBondContact O-N 3.48Å; P60-G63 PolarHBondContact O-N 2.7Å; P60-I64 VanDerWaalsContact O-CG1 3.24Å; P60-I64 WeakPolarHBondContact O-CG1 3.22Å; P60-I64 PolarHBondContact O-N 2.92Å |
| 61 | L | 90.5 | Very high | 86.7 | Confident | 115 Ų | 115 | 96.1 Ų | 96.1 | 60% | 0.602 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.6 | -45.4 | 178.5 | -178.9 | 66.7 | 0 | 0 | 0 | 111 | M58 A65 | M58-L61 PolarHBondContact O-N 3.48Å; M58-L61 HydrophobicContact SD-CD2 4.41Å; L61-A65 WeakPolarHBondContact O-CB 3.49Å; L61-A65 PolarHBondContact O-N 2.84Å |
| 62 | F | 92.2 | Very high | 87.6 | Confident | 136 Ų | 136 | 96.4 Ų | 96.4 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.8 | -43 | 177.3 | -168.9 | -103.8 | 0 | 0 | 0 | 111.5 | M58 A59 P60 I64 A65 Q66 | M58-F62 VanDerWaalsContact O-CB 3.25Å; M58-F62 WeakPolarHBondContact O-CB 2.87Å; M58-F62 PolarHBondContact O-N 3.41Å; A59-F62 PolarHBondContact O-N 3.38Å; P60-F62 VanDerWaalsContact C-N 3.31Å; P60-F62 PolarHBondContact O-N 3.48Å; F62-I64 PolarHBondContact O-N 3.42Å; F62-A65 PolarHBondContact O-N 3.35Å; F62-Q66 VanDerWaalsContact O-CB 3.22Å; F62-Q66 WeakPolarHBondContact O-CB 3.31Å; F62-Q66 PolarHBondContact O-N 2.88Å |
| 63 | G | 93.8 | Very high | 88.4 | Confident | 38 Ų | 38 | 96.8 Ų | 96.8 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A59 P60 Q66 M67 | A59-G63 PolarHBondContact O-N 3.49Å; P60-G63 PolarHBondContact O-N 2.7Å; G63-Q66 PolarHBondContact O-N 3.44Å; G63-M67 WeakPolarHBondContact O-CB 3.24Å; G63-M67 PolarHBondContact O-N 2.85Å |
| 64 | I | 93.7 | Very high | 88.9 | Confident | 109 Ų | 109 | 94.7 Ų | 94.7 | 56% | 0.559 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -47.8 | 176 | -65.6 | 163 | 0 | 0 | 0 | 110.2 | P60 F62 Q66 M67 V68 | P60-I64 VanDerWaalsContact O-CG1 3.24Å; P60-I64 WeakPolarHBondContact O-CG1 3.22Å; P60-I64 PolarHBondContact O-N 2.92Å; F62-I64 PolarHBondContact O-N 3.42Å; I64-Q66 VanDerWaalsContact C-N 3.29Å; I64-Q66 PolarHBondContact O-N 3.41Å; I64-M67 PolarHBondContact O-N 3.42Å; I64-V68 HydrophobicContact CG2-CG2 4.44Å; I64-V68 WeakPolarHBondContact O-CG2 3.34Å; I64-V68 PolarHBondContact O-N 3.38Å |
| 65 | A | 93.1 | Very high | 89 | Confident | 57 Ų | 57 | 90.6 Ų | 90.6 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L61 F62 V68 Y69 | L61-A65 WeakPolarHBondContact O-CB 3.49Å; L61-A65 PolarHBondContact O-N 2.84Å; F62-A65 PolarHBondContact O-N 3.35Å; A65-V68 PolarHBondContact O-N 3.25Å; A65-Y69 VanDerWaalsContact O-CB 3.31Å; A65-Y69 WeakPolarHBondContact O-CB 3.25Å; A65-Y69 PolarHBondContact O-N 3.42Å |
| 66 | Q | 92.5 | Very high | 89 | Confident | 82 Ų | 82 | 95.8 Ų | 95.8 | 38% | 0.383 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 179 | -156.3 | 178.7 | -74.6 | 0 | 0 | 111.6 | F62 G63 I64 Y69 Y70 | F62-Q66 VanDerWaalsContact O-CB 3.22Å; F62-Q66 WeakPolarHBondContact O-CB 3.31Å; F62-Q66 PolarHBondContact O-N 2.88Å; G63-Q66 PolarHBondContact O-N 3.44Å; I64-Q66 VanDerWaalsContact C-N 3.29Å; I64-Q66 PolarHBondContact O-N 3.41Å; Q66-Y69 PolarHBondContact O-N 3.24Å; Q66-Y70 HydrophobicContact CG-CD2 3.97Å; Q66-Y70 HydrophobicContact CG-CE2 3.56Å; Q66-Y70 WeakPolarHBondContact O-CD2 3.33Å; Q66-Y70 PolarHBondContact O-N 3.47Å |
| 67 | M | 93 | Very high | 88.8 | Confident | 127 Ų | 127 | 98.3 Ų | 98.3 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.5 | -46 | 175.3 | -178.9 | 173.4 | -100 | 0 | 0 | 112 | G63 I64 Y69 Y70 I71 | G63-M67 WeakPolarHBondContact O-CB 3.24Å; G63-M67 PolarHBondContact O-N 2.85Å; I64-M67 PolarHBondContact O-N 3.42Å; M67-Y69 VanDerWaalsContact C-N 3.3Å; M67-Y69 PolarHBondContact O-N 2.89Å; M67-Y70 PolarHBondContact O-N 3.32Å; M67-I71 HydrophobicContact CG-CD1 3.99Å; M67-I71 WeakPolarHBondContact O-CG1 3.37Å; M67-I71 PolarHBondContact O-N 3.38Å |
| 68 | V | 93.3 | Very high | 88.1 | Confident | 95 Ų | 95 | 98.7 Ų | 98.7 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.4 | -41.5 | 175.4 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | I64 A65 I71 G72 | I64-V68 HydrophobicContact CG2-CG2 4.44Å; I64-V68 WeakPolarHBondContact O-CG2 3.34Å; I64-V68 PolarHBondContact O-N 3.38Å; A65-V68 PolarHBondContact O-N 3.25Å; V68-I71 PolarHBondContact O-N 2.87Å; V68-G72 PolarHBondContact O-N 2.92Å |
| 69 | Y | 91.1 | Very high | 87.2 | Confident | 155 Ų | 155 | 96.1 Ų | 96.1 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.1 | -48.3 | 175.9 | -179.9 | -97.6 | 0 | 0 | 0 | 111.6 | A65 Q66 M67 I71 G72 V73 | A65-Y69 VanDerWaalsContact O-CB 3.31Å; A65-Y69 WeakPolarHBondContact O-CB 3.25Å; A65-Y69 PolarHBondContact O-N 3.42Å; Q66-Y69 PolarHBondContact O-N 3.24Å; M67-Y69 VanDerWaalsContact C-N 3.3Å; M67-Y69 PolarHBondContact O-N 2.89Å; Y69-I71 VanDerWaalsContact C-N 3.34Å; Y69-I71 PolarHBondContact O-N 2.85Å; Y69-G72 PolarHBondContact O-N 3.43Å; Y69-V73 HydrophobicContact CD1-CG2 4.15Å; Y69-V73 HydrophobicContact CD2-CG2 4.28Å; Y69-V73 HydrophobicContact CE1-CG2 3.77Å; Y69-V73 HydrophobicContact CE2-CG2 3.91Å; Y69-V73 HydrophobicContact CG-CG2 4.39Å; Y69-V73 WeakPolarHBondContact O-CB 3.37Å; Y69-V73 VanDerWaalsContact O-CG2 3.25Å; Y69-V73 WeakPolarHBondContact O-CG2 3.36Å; Y69-V73 PolarHBondContact O-N 2.92Å |
| 70 | Y | 90.3 | Very high | 85.7 | Confident | 144 Ų | 144 | 98.1 Ų | 98.1 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -37.5 | 177.8 | -78.5 | -58.1 | 0 | 0 | 0 | 112.9 | Q66 M67 A74 | Q66-Y70 HydrophobicContact CG-CD2 3.97Å; Q66-Y70 HydrophobicContact CG-CE2 3.56Å; Q66-Y70 WeakPolarHBondContact O-CD2 3.33Å; Q66-Y70 PolarHBondContact O-N 3.47Å; M67-Y70 PolarHBondContact O-N 3.32Å; Y70-A74 WeakPolarHBondContact O-CB 3.13Å; Y70-A74 PolarHBondContact O-N 2.98Å |
| 71 | I | 89.1 | Confident | 84.1 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.5 | -49.4 | 175 | -71.7 | 167.1 | 0 | 0 | 0 | 110.2 | M67 V68 Y69 V73 A74 E75 | M67-I71 HydrophobicContact CG-CD1 3.99Å; M67-I71 WeakPolarHBondContact O-CG1 3.37Å; M67-I71 PolarHBondContact O-N 3.38Å; V68-I71 PolarHBondContact O-N 2.87Å; Y69-I71 VanDerWaalsContact C-N 3.34Å; Y69-I71 PolarHBondContact O-N 2.85Å; I71-V73 VanDerWaalsContact C-N 3.31Å; I71-V73 PolarHBondContact O-N 2.81Å; I71-A74 PolarHBondContact O-N 3.34Å; I71-A74 VanDerWaalsContact O-N 3.16Å; I71-E75 HydrophobicContact CG2-CG 4.39Å; I71-E75 VanDerWaalsContact O-CG 3.27Å; I71-E75 WeakPolarHBondContact O-CG 3.06Å; I71-E75 PolarHBondContact O-N 3.3Å |
| 72 | G | 86.6 | Confident | 82.7 | Confident | 42 Ų | 42 | 103.6 Ų | 103.6 | 43% | 0.433 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V68 Y69 W76 | V68-G72 PolarHBondContact O-N 2.92Å; Y69-G72 PolarHBondContact O-N 3.43Å; G72-W76 WeakPolarHBondContact O-CB 3.31Å; G72-W76 PolarHBondContact O-N 2.91Å |
| 73 | V | 85.8 | Confident | 81.2 | Confident | 42 Ų | 42 | 101.5 Ų | 101.5 | 26% | 0.255 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.9 | -38.8 | 174.5 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | Y69 I71 W76 I77 | Y69-V73 HydrophobicContact CD1-CG2 4.15Å; Y69-V73 HydrophobicContact CD2-CG2 4.28Å; Y69-V73 HydrophobicContact CE1-CG2 3.77Å; Y69-V73 HydrophobicContact CE2-CG2 3.91Å; Y69-V73 HydrophobicContact CG-CG2 4.39Å; Y69-V73 WeakPolarHBondContact O-CB 3.37Å; Y69-V73 VanDerWaalsContact O-CG2 3.25Å; Y69-V73 WeakPolarHBondContact O-CG2 3.36Å; Y69-V73 PolarHBondContact O-N 2.92Å; I71-V73 VanDerWaalsContact C-N 3.31Å; I71-V73 PolarHBondContact O-N 2.81Å; V73-W76 PolarHBondContact O-N 3.42Å; V73-I77 HydrophobicContact CG1-CD1 3.65Å; V73-I77 HydrophobicContact CG1-CG1 4.18Å; V73-I77 WeakPolarHBondContact O-CB 3.41Å; V73-I77 VanDerWaalsContact O-CG1 3.31Å; V73-I77 WeakPolarHBondContact O-CG1 3.27Å; V73-I77 PolarHBondContact O-N 2.86Å |
| 74 | A | 83 | Confident | 79.4 | Confident | 40 Ų | 40 | 111.3 Ų | 111.3 | 33% | 0.331 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.3 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y70 I71 W76 I77 L78 | Y70-A74 WeakPolarHBondContact O-CB 3.13Å; Y70-A74 PolarHBondContact O-N 2.98Å; I71-A74 PolarHBondContact O-N 3.34Å; I71-A74 VanDerWaalsContact O-N 3.16Å; A74-W76 VanDerWaalsContact C-N 3.33Å; A74-W76 PolarHBondContact O-N 2.84Å; A74-I77 PolarHBondContact O-N 3.16Å; A74-L78 VanDerWaalsContact O-CB 3.27Å; A74-L78 WeakPolarHBondContact O-CB 3.27Å; A74-L78 WeakPolarHBondContact O-CD1 3.43Å; A74-L78 PolarHBondContact O-N 2.71Å |
| 75 | E | 79 | Confident | 77.2 | Confident | 107 Ų | 107 | 120.3 Ų | 120.3 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.1 | -41.2 | 175 | -66.4 | -76.4 | 105.7 | 0 | 0 | 111.3 | I71 G79 | I71-E75 HydrophobicContact CG2-CG 4.39Å; I71-E75 VanDerWaalsContact O-CG 3.27Å; I71-E75 WeakPolarHBondContact O-CG 3.06Å; I71-E75 PolarHBondContact O-N 3.3Å; E75-G79 PolarHBondContact O-N 2.84Å; E75-G79 VanDerWaalsContact O-N 3.13Å |
| 76 | W | 79.3 | Confident | 76.5 | Confident | 213 Ų | 213 | 123.5 Ų | 123.5 | 81% | 0.807 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.2 | -42.3 | 178.1 | -174.1 | 77.2 | 0 | 0 | 0 | 112.9 | G72 V73 A74 | G72-W76 WeakPolarHBondContact O-CB 3.31Å; G72-W76 PolarHBondContact O-N 2.91Å; V73-W76 PolarHBondContact O-N 3.42Å; A74-W76 VanDerWaalsContact C-N 3.33Å; A74-W76 PolarHBondContact O-N 2.84Å |
| 77 | I | 79.8 | Confident | 75.6 | Confident | 120 Ų | 120 | 125.7 Ų | 125.7 | 62% | 0.615 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.2 | -45.7 | 179.7 | -69.1 | 177.3 | 0 | 0 | 0 | 111.5 | V73 A74 G79 | V73-I77 HydrophobicContact CG1-CD1 3.65Å; V73-I77 HydrophobicContact CG1-CG1 4.18Å; V73-I77 WeakPolarHBondContact O-CB 3.41Å; V73-I77 VanDerWaalsContact O-CG1 3.31Å; V73-I77 WeakPolarHBondContact O-CG1 3.27Å; V73-I77 PolarHBondContact O-N 2.86Å; A74-I77 PolarHBondContact O-N 3.16Å; I77-G79 PolarHBondContact O-N 3.13Å |
| 78 | L | 72.4 | Confident | 74.6 | Confident | 111 Ų | 111 | 125.6 Ų | 125.6 | 58% | 0.581 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.4 | -17.5 | -178.1 | -93.6 | 94.7 | 0 | 0 | 0 | 111.8 | A74 I80 | A74-L78 VanDerWaalsContact O-CB 3.27Å; A74-L78 WeakPolarHBondContact O-CB 3.27Å; A74-L78 WeakPolarHBondContact O-CD1 3.43Å; A74-L78 PolarHBondContact O-N 2.71Å; L78-I80 HydrophobicContact CB-CD1 4.07Å; L78-I80 HydrophobicContact CB-CG1 3.99Å; L78-I80 HydrophobicContact CD2-CD1 3.43Å; L78-I80 VanDerWaalsContact CD2-CD1 3.43Å; L78-I80 HydrophobicContact CD2-CG1 4.22Å; L78-I80 HydrophobicContact CG-CD1 4.37Å; L78-I80 PolarHBondContact O-N 3.28Å |
| 79 | G | 68.4 | Low | 73.5 | Confident | 53 Ų | 53 | 127.4 Ų | 127.4 | 55% | 0.546 | 61% | 0.612 | S | S | . | * | trans | 50.5 | 26.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.3 | E75 I77 D81 | E75-G79 PolarHBondContact O-N 2.84Å; E75-G79 VanDerWaalsContact O-N 3.13Å; I77-G79 PolarHBondContact O-N 3.13Å; G79-D81 PolarHBondContact O-N 2.8Å | ||
| 80 | I | 60 | Low | 72.4 | Confident | 102 Ų | 102 | 125.7 Ų | 125.7 | 52% | 0.523 | 61% | 0.612 | S | S | . | * | trans | -74 | 75.4 | 171.1 | -68.3 | 172.6 | 0 | 0 | 0 | 103.5 | L78 K82 | L78-I80 HydrophobicContact CB-CD1 4.07Å; L78-I80 HydrophobicContact CB-CG1 3.99Å; L78-I80 HydrophobicContact CD2-CD1 3.43Å; L78-I80 VanDerWaalsContact CD2-CD1 3.43Å; L78-I80 HydrophobicContact CD2-CG1 4.22Å; L78-I80 HydrophobicContact CG-CD1 4.37Å; L78-I80 PolarHBondContact O-N 3.28Å; I80-K82 PolarHBondContact O-N 2.71Å | ||
| 81 | D | 59.2 | Low | 71.3 | Confident | 124 Ų | 124 | 124.5 Ų | 124.5 | 66% | 0.663 | 62% | 0.616 | S | S | * | * | trans | -27.7 | 114.3 | 143.9 | -177.4 | 50 | 0 | 0 | 0 | 107 | G79 S83 | G79-D81 PolarHBondContact O-N 2.8Å; D81-S83 PolarHBondContact O-N 3.06Å; D81-S83 WeakPolarHBondContact OD2-CB 2.93Å | ||
| 82 | K | 62.1 | Low | 70 | Confident | 179 Ų | 179 | 126.2 Ų | 126.2 | 78% | 0.778 | 62% | 0.623 | S | S | * | * | trans | -66.6 | 47.7 | 174 | -171.6 | 171.3 | 175.4 | 164.4 | 0 | 109.4 | I80 R84 | I80-K82 PolarHBondContact O-N 2.71Å; K82-R84 PolarHBondContact O-N 3.25Å | ||
| 83 | S | 59.3 | Low | 68.7 | Low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 64% | 0.638 | S | S | * | * | trans | -88 | 42 | 171 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | D81 | D81-S83 PolarHBondContact O-N 3.06Å; D81-S83 WeakPolarHBondContact OD2-CB 2.93Å | ||
| 84 | R | 56.5 | Low | 67.3 | Low | 244 Ų | 244 | 140.3 Ų | 140.3 | 92% | 0.921 | 67% | 0.669 | S | S | * | * | trans | -147.5 | 59 | 157.3 | -151.8 | 147.3 | -173.8 | 171.8 | 0.3 | 113.9 | K82 | K82-R84 PolarHBondContact O-N 3.25Š| ||
| 85 | R | 48.4 | Very low | 65.9 | Low | 298 Ų | 298 | 149.4 Ų | 149.4 | 100% | 1.125 | 70% | 0.7 | S | S | * | * | -149.4 | 0 | 128.9 | -167.4 | 175.1 | -64.6 | -151.8 | 0.8 | 108.9 |
Retrieved 85 of 85 residues in 104.4 ms
(Link to these results)