| 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 | 56.9 | Low | 70.4 | Confident | 209 Ų | 209 | 123.9 Ų | 123.9 | 100% | 1.03 | 62% | 0.616 | S | S | * | * | 0 | -25.5 | 0 | -74.9 | -179.6 | -163.9 | 0 | 0 | 113.6 | N3 K4 K5 | M1-N3 PolarHBondContact O-N 3.05Å; M1-K4 PolarHBondContact O-N 3.28Å; M1-K5 PolarHBondContact O-N 3.31Å | |||
| 2 | E | 59.9 | Low | 71.6 | Confident | 127 Ų | 127 | 123.4 Ų | 123.4 | 59% | 0.593 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.3 | -43.8 | -176.1 | -133 | -172.7 | 102.9 | 0 | 0 | 113.9 | K4 K5 R6 | E2-K4 VanDerWaalsContact C-N 3.28Å; E2-K4 PolarHBondContact O-N 3.08Å; E2-K5 PolarHBondContact O-N 3.08Å; E2-K5 VanDerWaalsContact O-N 3.15Å; E2-R6 PolarHBondContact O-N 3.15Å; E2-R6 VanDerWaalsContact O-N 3.08Å; E2-R6 IonicContact OE1-CZ 3.59Å; E2-R6 IonicContact OE1-NE 3.66Å; E2-R6 IonicContact OE1-NH2 2.77Å; E2-R6 PolarHBondContact OE1-NH2 3.45Å |
| 3 | N | 58.4 | Low | 72.8 | Confident | 121 Ų | 121 | 124 Ų | 124 | 65% | 0.647 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61 | -34.3 | 177.5 | -73.2 | -35.7 | 0 | 0 | 0 | 113.1 | M1 K5 R6 V7 | M1-N3 PolarHBondContact O-N 3.05Å; N3-K5 VanDerWaalsContact C-N 3.34Å; N3-K5 PolarHBondContact O-N 3.23Å; N3-R6 PolarHBondContact O-N 3.5Å; N3-V7 WeakPolarHBondContact O-CG2 3.35Å; N3-V7 PolarHBondContact O-N 2.71Å |
| 4 | K | 64.1 | Low | 73.9 | Confident | 177 Ų | 177 | 120.6 Ų | 120.6 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.7 | -36.5 | 178.4 | -160.7 | 167.4 | -176.4 | 164.2 | 0 | 111.3 | M1 E2 D8 | M1-K4 PolarHBondContact O-N 3.28Å; E2-K4 VanDerWaalsContact C-N 3.28Å; E2-K4 PolarHBondContact O-N 3.08Å; K4-D8 PolarHBondContact O-N 3.41Å |
| 5 | K | 65.4 | Low | 74.7 | Confident | 161 Ų | 161 | 119.8 Ų | 119.8 | 70% | 0.7 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.2 | -34.8 | 172.3 | -65.6 | -173.1 | 177.8 | -178.6 | 0 | 112.7 | M1 E2 N3 D8 A9 | M1-K5 PolarHBondContact O-N 3.31Å; E2-K5 PolarHBondContact O-N 3.08Å; E2-K5 VanDerWaalsContact O-N 3.15Å; N3-K5 VanDerWaalsContact C-N 3.34Å; N3-K5 PolarHBondContact O-N 3.23Å; K5-D8 WeakPolarHBondContact O-CB 3.41Å; K5-A9 PolarHBondContact O-N 3.48Å |
| 6 | R | 70.3 | Confident | 75.5 | Confident | 149 Ų | 149 | 119.8 Ų | 119.8 | 56% | 0.562 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.4 | -41.6 | 177.2 | -68.6 | -176.9 | -171.6 | -171.9 | 3.6 | 112.5 | E2 N3 D8 A9 L10 | E2-R6 PolarHBondContact O-N 3.15Å; E2-R6 VanDerWaalsContact O-N 3.08Å; E2-R6 IonicContact OE1-CZ 3.59Å; E2-R6 IonicContact OE1-NE 3.66Å; E2-R6 IonicContact OE1-NH2 2.77Å; E2-R6 PolarHBondContact OE1-NH2 3.45Å; N3-R6 PolarHBondContact O-N 3.5Å; R6-D8 VanDerWaalsContact C-N 3.29Å; R6-D8 PolarHBondContact O-N 3.41Å; R6-A9 PolarHBondContact O-N 3.29Å; R6-L10 WeakPolarHBondContact O-CG 3.42Å; R6-L10 PolarHBondContact O-N 3.22Å; R6-L10 VanDerWaalsContact O-N 3.15Å |
| 7 | V | 71.8 | Confident | 76.1 | Confident | 90 Ų | 90 | 118.4 Ų | 118.4 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61 | -42.7 | 175.7 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | N3 L10 V11 | N3-V7 WeakPolarHBondContact O-CG2 3.35Å; N3-V7 PolarHBondContact O-N 2.71Å; V7-L10 PolarHBondContact O-N 3.02Å; V7-V11 WeakPolarHBondContact O-CG2 3.49Å; V7-V11 PolarHBondContact O-N 3.15Å; V7-V11 VanDerWaalsContact O-N 3.08Å |
| 8 | D | 77.7 | Confident | 76.5 | Confident | 92 Ų | 92 | 118.6 Ų | 118.6 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -57.7 | -51.6 | 177.7 | -168.4 | -109.1 | 0 | 0 | 0 | 111.5 | K4 K5 R6 L10 V11 F12 | K4-D8 PolarHBondContact O-N 3.41Å; K5-D8 WeakPolarHBondContact O-CB 3.41Å; R6-D8 VanDerWaalsContact C-N 3.29Å; R6-D8 PolarHBondContact O-N 3.41Å; D8-L10 VanDerWaalsContact C-N 3.34Å; D8-L10 PolarHBondContact O-N 3.05Å; D8-V11 PolarHBondContact O-N 3.35Å; D8-V11 VanDerWaalsContact O-N 3.16Å; D8-F12 WeakPolarHBondContact O-CD2 3.48Å; D8-F12 PolarHBondContact O-N 3.49Å; D8-F12 WeakPolarHBondContact OD1-CE2 3.18Å |
| 9 | A | 80.9 | Confident | 76.7 | Confident | 42 Ų | 42 | 114.6 Ų | 114.6 | 35% | 0.347 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -57.6 | -43.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | K5 R6 V11 F12 F13 | K5-A9 PolarHBondContact O-N 3.48Å; R6-A9 PolarHBondContact O-N 3.29Å; A9-V11 VanDerWaalsContact C-N 3.33Å; A9-V11 PolarHBondContact O-N 3.24Å; A9-F12 WeakPolarHBondContact O-CB 3.1Å; A9-F12 PolarHBondContact O-N 3.44Å; A9-F13 WeakPolarHBondContact O-CD2 3.4Å; A9-F13 PolarHBondContact O-N 2.77Å |
| 10 | L | 82.8 | Confident | 76.9 | Confident | 116 Ų | 116 | 115.7 Ų | 115.7 | 61% | 0.607 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.6 | -37.8 | 179.2 | -71.9 | 169.1 | 0 | 0 | 0 | 112.4 | R6 V7 D8 S14 | R6-L10 WeakPolarHBondContact O-CG 3.42Å; R6-L10 PolarHBondContact O-N 3.22Å; R6-L10 VanDerWaalsContact O-N 3.15Å; V7-L10 PolarHBondContact O-N 3.02Å; D8-L10 VanDerWaalsContact C-N 3.34Å; D8-L10 PolarHBondContact O-N 3.05Å; L10-S14 WeakPolarHBondContact O-CB 3.15Å; L10-S14 PolarHBondContact O-N 3.46Å; L10-S14 PolarHBondContact O-OG 2.93Å |
| 11 | V | 86 | Confident | 77 | Confident | 79 Ų | 79 | 115.9 Ų | 115.9 | 48% | 0.479 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.5 | -44.5 | 174.9 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | V7 D8 A9 F13 S14 L15 | V7-V11 WeakPolarHBondContact O-CG2 3.49Å; V7-V11 PolarHBondContact O-N 3.15Å; V7-V11 VanDerWaalsContact O-N 3.08Å; D8-V11 PolarHBondContact O-N 3.35Å; D8-V11 VanDerWaalsContact O-N 3.16Å; A9-V11 VanDerWaalsContact C-N 3.33Å; A9-V11 PolarHBondContact O-N 3.24Å; V11-F13 PolarHBondContact O-N 3.01Å; V11-S14 PolarHBondContact O-N 3.16Å; V11-L15 HydrophobicContact CG1-CD1 4.07Å; V11-L15 PolarHBondContact O-N 3.19Å |
| 12 | F | 85 | Confident | 77.8 | Confident | 118 Ų | 118 | 109.4 Ų | 109.4 | 52% | 0.518 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -58.8 | -47.4 | 176 | -84 | -72.3 | 0 | 0 | 0 | 112.5 | D8 A9 S14 L15 L16 | D8-F12 WeakPolarHBondContact O-CD2 3.48Å; D8-F12 PolarHBondContact O-N 3.49Å; D8-F12 WeakPolarHBondContact OD1-CE2 3.18Å; A9-F12 WeakPolarHBondContact O-CB 3.1Å; A9-F12 PolarHBondContact O-N 3.44Å; F12-S14 VanDerWaalsContact C-N 3.32Å; F12-S14 PolarHBondContact O-N 3.32Å; F12-L15 PolarHBondContact O-N 2.89Å; F12-L16 PolarHBondContact O-N 3.02Å; F12-L16 VanDerWaalsContact O-N 3.09Å |
| 13 | F | 87 | Confident | 78.2 | Confident | 131 Ų | 131 | 106.8 Ų | 106.8 | 58% | 0.575 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.4 | -39.9 | 176.9 | -80 | -67.7 | 0 | 0 | 0 | 112.3 | A9 V11 L15 L16 L17 | A9-F13 WeakPolarHBondContact O-CD2 3.4Å; A9-F13 PolarHBondContact O-N 2.77Å; V11-F13 PolarHBondContact O-N 3.01Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 3.45Å; F13-L16 PolarHBondContact O-N 3.39Å; F13-L17 WeakPolarHBondContact O-CD1 3.44Å; F13-L17 PolarHBondContact O-N 3.43Å |
| 14 | S | 87.9 | Confident | 78.6 | Confident | 77 Ų | 77 | 106.4 Ų | 106.4 | 54% | 0.538 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.4 | -40.3 | 179.4 | -57 | 0 | 0 | 0 | 0 | 112 | L10 V11 F12 L18 | L10-S14 WeakPolarHBondContact O-CB 3.15Å; L10-S14 PolarHBondContact O-N 3.46Å; L10-S14 PolarHBondContact O-OG 2.93Å; V11-S14 PolarHBondContact O-N 3.16Å; F12-S14 VanDerWaalsContact C-N 3.32Å; F12-S14 PolarHBondContact O-N 3.32Å; S14-L18 WeakPolarHBondContact O-CB 3.14Å; S14-L18 PolarHBondContact O-N 3.35Å |
| 15 | L | 86.7 | Confident | 78.5 | Confident | 108 Ų | 108 | 101.8 Ų | 101.8 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.1 | -41.5 | 175.2 | -75 | 162.6 | 0 | 0 | 0 | 112.4 | V11 F12 F13 L18 G19 | V11-L15 HydrophobicContact CG1-CD1 4.07Å; V11-L15 PolarHBondContact O-N 3.19Å; F12-L15 PolarHBondContact O-N 2.89Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 3.45Å; L15-L18 PolarHBondContact O-N 2.95Å; L15-G19 PolarHBondContact O-N 2.73Å |
| 16 | L | 86.8 | Confident | 78.1 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 63% | 0.628 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.6 | -46.4 | 175.7 | -85.5 | 155 | 0 | 0 | 0 | 112 | F12 F13 G19 Y20 | F12-L16 PolarHBondContact O-N 3.02Å; F12-L16 VanDerWaalsContact O-N 3.09Å; F13-L16 PolarHBondContact O-N 3.39Å; L16-G19 PolarHBondContact O-N 3.41Å; L16-Y20 PolarHBondContact O-N 3.43Å |
| 17 | L | 86 | Confident | 77.3 | Confident | 95 Ų | 95 | 98.5 Ų | 98.5 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.2 | -45.2 | 176.1 | -87.5 | 145.9 | 0 | 0 | 0 | 111.2 | F13 G19 Y20 F21 | F13-L17 WeakPolarHBondContact O-CD1 3.44Å; F13-L17 PolarHBondContact O-N 3.43Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-G19 PolarHBondContact O-N 3.25Å; L17-Y20 WeakPolarHBondContact O-CB 3.32Å; L17-Y20 PolarHBondContact O-N 2.98Å; L17-F21 HydrophobicContact CD2-CE2 3.75Å; L17-F21 HydrophobicContact CD2-CZ 4.49Å; L17-F21 WeakPolarHBondContact O-CD2 3.46Å; L17-F21 PolarHBondContact O-N 2.98Å |
| 18 | L | 83.1 | Confident | 76.1 | Confident | 122 Ų | 122 | 103.9 Ų | 103.9 | 64% | 0.639 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.2 | -42.7 | 177.7 | -169 | 69.5 | 0 | 0 | 0 | 111.9 | S14 L15 F21 A22 | S14-L18 WeakPolarHBondContact O-CB 3.14Å; S14-L18 PolarHBondContact O-N 3.35Å; L15-L18 PolarHBondContact O-N 2.95Å; L18-F21 PolarHBondContact O-N 3.29Å; L18-A22 WeakPolarHBondContact O-CB 3.07Å; L18-A22 PolarHBondContact O-N 3.09Å |
| 19 | G | 80.7 | Confident | 74.7 | Confident | 43 Ų | 43 | 103 Ų | 103 | 44% | 0.443 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.4 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L15 L16 L17 A22 A23 | L15-G19 PolarHBondContact O-N 2.73Å; L16-G19 PolarHBondContact O-N 3.41Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-G19 PolarHBondContact O-N 3.25Å; G19-A22 PolarHBondContact O-N 3.2Å; G19-A23 WeakPolarHBondContact O-CB 3.47Å; G19-A23 PolarHBondContact O-N 3.08Å |
| 20 | Y | 81.2 | Confident | 72.8 | Confident | 136 Ų | 136 | 109.2 Ų | 109.2 | 53% | 0.533 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.8 | -51.9 | 174.5 | 178.1 | -95.4 | 0 | 0 | 0 | 111.3 | L16 L17 A22 A23 H24 | L16-Y20 PolarHBondContact O-N 3.43Å; L17-Y20 WeakPolarHBondContact O-CB 3.32Å; L17-Y20 PolarHBondContact O-N 2.98Å; Y20-A22 VanDerWaalsContact C-N 3.33Å; Y20-A22 PolarHBondContact O-N 3.02Å; Y20-A23 PolarHBondContact O-N 3.03Å; Y20-H24 AromaticContact CD1-CD2 3.89Å; Y20-H24 AromaticContact CD2-CD2 3.51Å; Y20-H24 AromaticContact CD2-NE2 3.58Å; Y20-H24 AromaticContact CE1-CD2 3.67Å; Y20-H24 AromaticContact CE2-CD2 3.27Å; Y20-H24 WeakPolarHBondContact CE2-CD2 3.49Å; Y20-H24 AromaticContact CE2-NE2 3.09Å; Y20-H24 WeakPolarHBondContact CE2-NE2 3.09Å; Y20-H24 AromaticContact CG-CD2 3.81Å; Y20-H24 AromaticContact CZ-CD2 3.35Å; Y20-H24 AromaticContact CZ-NE2 3.51Å; Y20-H24 PolarHBondContact O-CD2 3.45Å; Y20-H24 PolarHBondContact O-N 3.22Å |
| 21 | F | 77.8 | Confident | 70.8 | Confident | 121 Ų | 121 | 109.8 Ų | 109.8 | 53% | 0.531 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.1 | -34.9 | 178.7 | -70.4 | -68.2 | 0 | 0 | 0 | 112.5 | L17 L18 A23 H24 A25 | L17-F21 HydrophobicContact CD2-CE2 3.75Å; L17-F21 HydrophobicContact CD2-CZ 4.49Å; L17-F21 WeakPolarHBondContact O-CD2 3.46Å; L17-F21 PolarHBondContact O-N 2.98Å; L18-F21 PolarHBondContact O-N 3.29Å; F21-A23 VanDerWaalsContact C-N 3.31Å; F21-A23 PolarHBondContact O-N 3.25Å; F21-H24 CarbonylContact O-C 3.59Å; F21-H24 PolarHBondContact O-N 3.44Å; F21-A25 WeakPolarHBondContact O-CB 3.27Å; F21-A25 PolarHBondContact O-N 2.96Å |
| 22 | A | 74.3 | Confident | 68.4 | Low | 72 Ų | 72 | 111 Ų | 111 | 60% | 0.595 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.5 | -38.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L18 G19 Y20 | L18-A22 WeakPolarHBondContact O-CB 3.07Å; L18-A22 PolarHBondContact O-N 3.09Å; G19-A22 PolarHBondContact O-N 3.2Å; Y20-A22 VanDerWaalsContact C-N 3.33Å; Y20-A22 PolarHBondContact O-N 3.02Å |
| 23 | A | 69.5 | Low | 66.2 | Low | 72 Ų | 72 | 111.4 Ų | 111.4 | 60% | 0.595 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.8 | -33.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | G19 Y20 F21 | G19-A23 WeakPolarHBondContact O-CB 3.47Å; G19-A23 PolarHBondContact O-N 3.08Å; Y20-A23 PolarHBondContact O-N 3.03Å; F21-A23 VanDerWaalsContact C-N 3.31Å; F21-A23 PolarHBondContact O-N 3.25Å |
| 24 | H | 66.1 | Low | 63.9 | Low | 114 Ų | 114 | 111.3 Ų | 111.3 | 53% | 0.528 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -96.4 | -15.5 | -176.3 | -69.9 | -66.9 | 0 | 0 | 0 | 115 | Y20 F21 H26 | Y20-H24 AromaticContact CD1-CD2 3.89Å; Y20-H24 AromaticContact CD2-CD2 3.51Å; Y20-H24 AromaticContact CD2-NE2 3.58Å; Y20-H24 AromaticContact CE1-CD2 3.67Å; Y20-H24 AromaticContact CE2-CD2 3.27Å; Y20-H24 WeakPolarHBondContact CE2-CD2 3.49Å; Y20-H24 AromaticContact CE2-NE2 3.09Å; Y20-H24 WeakPolarHBondContact CE2-NE2 3.09Å; Y20-H24 AromaticContact CG-CD2 3.81Å; Y20-H24 AromaticContact CZ-CD2 3.35Å; Y20-H24 AromaticContact CZ-NE2 3.51Å; Y20-H24 PolarHBondContact O-CD2 3.45Å; Y20-H24 PolarHBondContact O-N 3.22Å; F21-H24 CarbonylContact O-C 3.59Å; F21-H24 PolarHBondContact O-N 3.44Å; H24-H26 PolarHBondContact O-N 2.87Å |
| 25 | A | 62.2 | Low | 61.7 | Low | 80 Ų | 80 | 115.3 Ų | 115.3 | 66% | 0.661 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -71.3 | -14.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F21 G27 | F21-A25 WeakPolarHBondContact O-CB 3.27Å; F21-A25 PolarHBondContact O-N 2.96Å; A25-G27 PolarHBondContact O-N 3.04Å |
| 26 | H | 55.8 | Low | 59.5 | Low | 182 Ų | 182 | 114 Ų | 114 | 84% | 0.843 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 59.7 | 169.3 | -158.3 | 126.4 | 0 | 0 | 0 | 110.7 | H24 | H24-H26 PolarHBondContact O-N 2.87Š|
| 27 | G | 54.1 | Low | 57.2 | Low | 59 Ų | 59 | 114.2 Ų | 114.2 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -176.1 | 18.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | A25 | A25-G27 PolarHBondContact O-N 3.04Š|
| 28 | K | 47 | Very low | 54.9 | Low | 202 Ų | 202 | 115 Ų | 115 | 88% | 0.878 | 69% | 0.685 | S | S | * | * | trans | -168.1 | 62.5 | 158.3 | -126.8 | 149.9 | 176.8 | 171.1 | 0 | 113.1 | H30 | K28-H30 PolarHBondContact O-N 2.89Š| ||
| 29 | G | 47.5 | Very low | 52.7 | Low | 74 Ų | 74 | 115 Ų | 115 | 76% | 0.763 | 69% | 0.69 | S | S | * | * | trans | -65 | 101.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | V31 | G29-V31 PolarHBondContact O-N 3.33Š| ||
| 30 | H | 40.9 | Very low | 50.7 | Low | 173 Ų | 173 | 121.3 Ų | 121.3 | 80% | 0.801 | 71% | 0.713 | S | S | * | * | trans | -66.4 | 80.3 | 172.4 | -172.4 | -77.6 | 0 | 0 | 0 | 108.9 | K28 | K28-H30 PolarHBondContact O-N 2.89Š| ||
| 31 | V | 40.8 | Very low | 48.8 | Very low | 128 Ų | 128 | 119 Ų | 119 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | -107.2 | 92.2 | 168.9 | 173.6 | 0 | 0 | 0 | 0 | 107.6 | G29 N33 | G29-V31 PolarHBondContact O-N 3.33Å; V31-N33 PolarHBondContact O-N 3.22Å | ||
| 32 | T | 36.5 | Very low | 47 | Very low | 105 Ų | 105 | 123 Ų | 123 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | trans | -46.6 | 108 | 148.3 | -7.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 33 | N | 38.5 | Very low | 45.3 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | trans | 164.9 | 112.2 | 134 | -94.5 | 15.4 | 0 | 0 | 0 | 108.8 | V31 | V31-N33 PolarHBondContact O-N 3.22Š| ||
| 34 | D | 39 | Very low | 43.5 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | 54 | 123.5 | 127.2 | -55.7 | -52.5 | 0 | 0 | 0 | 119.1 | |||||
| 35 | I | 40.7 | Very low | 42 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 82% | 0.821 | 76% | 0.761 | S | S | * | * | trans | 83.9 | 61.5 | 162.9 | -46.4 | 159.1 | 0 | 0 | 0 | 113.8 | V37 | I35-V37 VanDerWaalsContact C-N 3.29Å; I35-V37 PolarHBondContact O-N 2.91Å | ||
| 36 | G | 41.5 | Very low | 41 | Very low | 80 Ų | 80 | 133.6 Ų | 133.6 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | 63.3 | 14.9 | 94.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 37 | V | 38.8 | Very low | 40.4 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -148.6 | 95.1 | 163.4 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | I35 | I35-V37 VanDerWaalsContact C-N 3.29Å; I35-V37 PolarHBondContact O-N 2.91Å | ||
| 38 | S | 36.4 | Very low | 40 | Very low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -159.1 | 100.6 | 152.7 | -84.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 39 | T | 37.5 | Very low | 40.4 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | 66.6 | 71.4 | 126.2 | -36.4 | 0 | 0 | 0 | 0 | 114.5 | A41 | T39-A41 PolarHBondContact O-N 2.9Š| |||
| 40 | L | 39.4 | Very low | 41 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | 18 | 61 | 120.8 | -128.5 | 144.1 | 0 | 0 | 0 | 114.3 | K42 | L40-K42 VanDerWaalsContact C-N 3.26Å; L40-K42 PolarHBondContact O-N 2.7Å | |||
| 41 | A | 41 | Very low | 42.3 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -68.8 | 94 | 168.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | T39 E43 | T39-A41 PolarHBondContact O-N 2.9Å; A41-E43 PolarHBondContact O-N 2.68Å | ||
| 42 | K | 38.8 | Very low | 43.8 | Very low | 206 Ų | 206 | 129.4 Ų | 129.4 | 90% | 0.896 | 73% | 0.728 | S | S | * | * | trans | 14.8 | 53.8 | 133 | -150.4 | 168.6 | -178.1 | 178.7 | 0 | 116.8 | L40 | L40-K42 VanDerWaalsContact C-N 3.26Å; L40-K42 PolarHBondContact O-N 2.7Å | ||
| 43 | E | 40.1 | Very low | 45.7 | Very low | 185 Ų | 185 | 126.1 Ų | 126.1 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | trans | -114.1 | 75.8 | 161.6 | -153.8 | 163 | 165.2 | 0 | 0 | 103.7 | A41 | A41-E43 PolarHBondContact O-N 2.68Š| ||
| 44 | G | 30.4 | Very low | 47.3 | Very low | 54 Ų | 54 | 121 Ų | 121 | 56% | 0.557 | 69% | 0.685 | S | S | * | * | 60.7 | 78.6 | 56.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 45 | I | 35.2 | Very low | 48.7 | Very low | 147 Ų | 147 | 121.3 Ų | 121.3 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 95.5 | 98.1 | 159.5 | -50.2 | -180 | 0 | 0 | 0 | 116 | ||
| 46 | M | 41.4 | Very low | 49.6 | Very low | 175 Ų | 175 | 117.2 Ų | 117.2 | 86% | 0.862 | 68% | 0.678 | S | S | * | * | trans | 59.8 | 86.9 | 143.5 | -62.1 | -168 | -88.5 | 0 | 0 | 118.4 | ||||
| 47 | R | 43.3 | Very low | 50.2 | Low | 251 Ų | 251 | 120.4 Ų | 120.4 | 95% | 0.947 | 67% | 0.67 | S | S | * | * | trans | -142.3 | 100.8 | 152 | -112.7 | -179.9 | 179.5 | -156.1 | 0.3 | 112.1 | ||||
| 48 | G | 45.6 | Very low | 51 | Low | 60 Ų | 60 | 122.3 Ų | 122.3 | 62% | 0.619 | 68% | 0.675 | S | S | * | * | trans | 101 | 108.4 | 166 | 0 | 0 | 0 | 0 | 0 | 113.1 | G50 | G48-G50 PolarHBondContact O-N 3.06Š| ||
| 49 | K | 55.7 | Low | 51.8 | Low | 221 Ų | 221 | 122.4 Ų | 122.4 | 96% | 0.961 | 67% | 0.673 | S | S | * | * | trans | -66.7 | 50.1 | 156 | -63.7 | -177 | 176.1 | -175 | 0 | 110.1 | ||||
| 50 | G | 60.3 | Low | 52.8 | Low | 42 Ų | 42 | 117.2 Ų | 117.2 | 43% | 0.433 | 64% | 0.641 | S | S | . | * | trans | -94.9 | 155.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G48 | G48-G50 PolarHBondContact O-N 3.06Š| ||
| 51 | A | 68.1 | Low | 53.9 | Low | 28 Ų | 28 | 116.4 Ų | 116.4 | 23% | 0.231 | 63% | 0.631 | C | S | . | * | trans | -64.6 | 142.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I69 G70 G71 C87 | A51-I69 CarbonylContact C-O 3.52Å; A51-I69 VanDerWaalsContact CA-O 3.26Å; A51-I69 WeakPolarHBondContact CA-O 3.37Å; A51-G70 WeakPolarHBondContact CA-O 3.47Å; A51-G70 PolarHBondContact N-O 3.36Å; A51-G71 VanDerWaalsContact CB-CA 3.44Å; A51-C87 HydrophobicContact CB-CB 3.78Å; A51-C87 WeakPolarHBondContact CB-O 3.4Å | ||
| 52 | Q | 72 | Confident | 55.2 | Low | 127 Ų | 127 | 118 Ų | 118 | 59% | 0.593 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.1 | 141.2 | 180 | -65 | -179 | -4.9 | 0 | 0 | 109.7 | I69 | Q52-I69 PolarHBondContact N-O 3.43Å; Q52-I69 PolarHBondContact O-N 2.83Å |
| 53 | C | 75.5 | Confident | 56.6 | Low | 37 Ų | 37 | 116.1 Ų | 116.1 | 25% | 0.25 | 63% | 0.627 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.9 | 123 | 168.7 | -70.4 | 0 | 0 | 0 | 0 | 109.5 | C67 L80 C83 S84 C87 | C53-C67 WeakPolarHBondContact CA-O 2.99Å; C53-L80 HydrophobicContact CB-CD1 3.45Å; C53-L80 VanDerWaalsContact CB-CD1 3.45Å; C53-C83 VanDerWaalsContact CA-SG 3.52Å; C53-C83 HydrophobicContact CB-CB 4.07Å; C53-C83 WeakPolarHBondContact CB-SG 2.92Å; C53-C83 WeakPolarHBondContact SG-CB 3Å; C53-C83 CovalentContact SG-SG 2.04Å; C53-C83 PolarHBondContact SG-SG 3.38Å; C53-S84 PolarHBondContact SG-N 3.2Å; C53-C87 PolarHBondContact SG-SG 3.18Å |
| 54 | A | 72.5 | Confident | 58.3 | Low | 18 Ų | 18 | 111 Ų | 111 | 15% | 0.149 | 60% | 0.601 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F57 Y66 C67 I69 | A54-F57 HydrophobicContact CB-CD2 3.65Å; A54-F57 HydrophobicContact CB-CE2 3.86Å; A54-Y66 WeakPolarHBondContact O-CA 3.32Å; A54-C67 PolarHBondContact N-O 3.43Å; A54-C67 PolarHBondContact O-N 2.83Å; A54-I69 HydrophobicContact CB-CD1 3.35Å; A54-I69 HydrophobicContact CB-CG1 3.99Å |
| 55 | Q | 69.1 | Low | 60.5 | Low | 136 Ų | 136 | 111.6 Ų | 111.6 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.6 | 171.4 | -173.2 | -179.9 | 56.2 | 0 | 0 | 108.2 | Y66 | Q55-Y66 HydrophobicContact CB-CD1 4.19Å; Q55-Y66 HydrophobicContact CB-CE1 3.99Å; Q55-Y66 HydrophobicContact CG-CE1 4.05Å; Q55-Y66 PolarHBondContact NE2-OH 2.79Å |
| 56 | G | 59.9 | Low | 62.6 | Low | 73 Ų | 73 | 106.8 Ų | 106.8 | 75% | 0.753 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | 86.1 | 12.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 57 | F | 54 | Low | 64.4 | Low | 148 Ų | 148 | 99.9 Ų | 99.9 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 161.8 | 154 | -73.7 | -83.3 | 0 | 0 | 0 | 109.3 | A54 P59 I69 | A54-F57 HydrophobicContact CB-CD2 3.65Å; A54-F57 HydrophobicContact CB-CE2 3.86Å; F57-P59 VanDerWaalsContact O-N 3.16Å; F57-I69 HydrophobicContact CD2-CD1 4.01Å; F57-I69 HydrophobicContact CE2-CD1 4.1Å |
| 58 | L | 54.7 | Low | 66.1 | Low | 165 Ų | 165 | 88.1 Ų | 88.1 | 86% | 0.864 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -29.1 | 122.4 | 176.9 | -81.6 | 159.5 | 0 | 0 | 0 | 109.8 | C60 | L58-C60 PolarHBondContact O-N 3.49Å |
| 59 | P | 52.9 | Low | 67.5 | Low | 114 Ų | 114 | 89.1 Ų | 89.1 | 74% | 0.74 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -47.3 | 120.9 | -161.2 | 16.2 | -30.5 | 0 | 0 | 0 | 109.8 | F57 K61 | F57-P59 VanDerWaalsContact O-N 3.16Å; P59-K61 PolarHBondContact O-N 2.04Å; P59-K61 VanDerWaalsContact O-N 3.13Å |
| 60 | C | 58.9 | Low | 68.1 | Low | 11 Ų | 11 | 81 Ų | 81 | 7% | 0.074 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.3 | 124.8 | 167.7 | -57.5 | 0 | 0 | 0 | 0 | 105.9 | L58 K64 Y66 C67 C76 | L58-C60 PolarHBondContact O-N 3.49Å; C60-K64 HydrophobicContact CB-CB 4.17Å; C60-K64 WeakPolarHBondContact CB-O 3.42Å; C60-Y66 VanDerWaalsContact SG-C 3.57Å; C60-C67 WeakPolarHBondContact CB-SG 2.94Å; C60-C67 WeakPolarHBondContact SG-CB 3.13Å; C60-C67 CovalentContact SG-SG 2.03Å; C60-C67 PolarHBondContact SG-SG 2.98Å; C60-C76 HydrophobicContact CB-CB 3.7Å; C60-C76 WeakPolarHBondContact CB-SG 3.32Å |
| 61 | K | 61.8 | Low | 68.3 | Low | 161 Ų | 161 | 80.5 Ų | 80.5 | 70% | 0.7 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 151 | -171.9 | -160.4 | -173.1 | 172.4 | -174.8 | 0 | 110.9 | P59 | P59-K61 PolarHBondContact O-N 2.04Å; P59-K61 VanDerWaalsContact O-N 3.13Å |
| 62 | D | 69.6 | Low | 68.2 | Low | 119 Ų | 119 | 90.6 Ų | 90.6 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 43.7 | 171.6 | -48 | -61.6 | 0 | 0 | 0 | 115.1 | K64 | D62-K64 VanDerWaalsContact C-N 3.25Å; D62-K64 PolarHBondContact O-N 3.39Å |
| 63 | N | 68.2 | Low | 68 | Low | 167 Ų | 167 | 86.3 Ų | 86.3 | 89% | 0.893 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 22.2 | 175.7 | -57.4 | -40.6 | 0 | 0 | 0 | 115.3 | ||
| 64 | K | 75.3 | Confident | 67.8 | Low | 76 Ų | 76 | 92 Ų | 92 | 33% | 0.33 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 142.5 | 179.3 | -65.1 | -172.3 | -179.5 | 177.8 | 0 | 110.3 | C60 D62 C76 | C60-K64 HydrophobicContact CB-CB 4.17Å; C60-K64 WeakPolarHBondContact CB-O 3.42Å; D62-K64 VanDerWaalsContact C-N 3.25Å; D62-K64 PolarHBondContact O-N 3.39Å; K64-C76 HydrophobicContact CB-CB 4.04Å; K64-C76 VanDerWaalsContact CD-C 3.45Å; K64-C76 HydrophobicContact CD-CB 3.81Å; K64-C76 WeakPolarHBondContact CD-O 3.3Å; K64-C76 PolarHBondContact NZ-O 2.03Å; K64-C76 VanDerWaalsContact NZ-O 3.1Å |
| 65 | C | 75.7 | Confident | 68 | Low | 68 Ų | 68 | 92 Ų | 92 | 46% | 0.459 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -14.2 | -171.1 | -64.7 | 0 | 0 | 0 | 0 | 113.7 | Y77 | C65-Y77 PolarHBondContact N-O 3.48Å |
| 66 | Y | 80.4 | Confident | 68.6 | Low | 46 Ų | 46 | 87.2 Ų | 87.2 | 18% | 0.18 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.2 | -171 | -56.6 | -81.7 | 0 | 0 | 0 | 111.3 | A54 Q55 C60 C76 Y77 L80 | A54-Y66 WeakPolarHBondContact O-CA 3.32Å; Q55-Y66 HydrophobicContact CB-CD1 4.19Å; Q55-Y66 HydrophobicContact CB-CE1 3.99Å; Q55-Y66 HydrophobicContact CG-CE1 4.05Å; Q55-Y66 PolarHBondContact NE2-OH 2.79Å; C60-Y66 VanDerWaalsContact SG-C 3.57Å; Y66-C76 CarbonylContact O-C 3.55Å; Y66-C76 WeakPolarHBondContact O-CA 2.95Å; Y66-Y77 PolarHBondContact N-O 3.23Å; Y66-Y77 PolarHBondContact O-N 3.13Å; Y66-L80 HydrophobicContact CD1-CB 4.06Å; Y66-L80 HydrophobicContact CD1-CD1 3.83Å; Y66-L80 HydrophobicContact CE1-CB 3.8Å; Y66-L80 HydrophobicContact CE1-CD1 4.04Å; Y66-L80 HydrophobicContact CE1-CG 4.4Å; Y66-L80 HydrophobicContact CE2-CB 4.37Å; Y66-L80 HydrophobicContact CG-CB 4.45Å |
| 67 | C | 79.7 | Confident | 69.7 | Low | 30 Ų | 30 | 86 Ų | 86 | 20% | 0.203 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 141.7 | 176.6 | -81.8 | 0 | 0 | 0 | 0 | 110.3 | C53 A54 C60 C76 | C53-C67 WeakPolarHBondContact CA-O 2.99Å; A54-C67 PolarHBondContact N-O 3.43Å; A54-C67 PolarHBondContact O-N 2.83Å; C60-C67 WeakPolarHBondContact CB-SG 2.94Å; C60-C67 WeakPolarHBondContact SG-CB 3.13Å; C60-C67 CovalentContact SG-SG 2.03Å; C60-C67 PolarHBondContact SG-SG 2.98Å; C67-C76 PolarHBondContact SG-SG 3.06Å |
| 68 | C | 78.2 | Confident | 71.1 | Confident | 4 Ų | 4 | 82.3 Ų | 82.3 | 3% | 0.027 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 120 | 168.7 | -79.3 | 0 | 0 | 0 | 0 | 110.7 | T73 G75 C83 C87 | C68-T73 HydrophobicContact CB-CG2 3.99Å; C68-T73 WeakPolarHBondContact CB-O 3.33Å; C68-G75 PolarHBondContact N-O 3.19Å; C68-C83 PolarHBondContact SG-O 3.43Å; C68-C83 PolarHBondContact SG-SG 3.38Å; C68-C87 WeakPolarHBondContact CA-SG 3.12Å; C68-C87 HydrophobicContact CB-CB 4.31Å; C68-C87 WeakPolarHBondContact CB-SG 3.02Å; C68-C87 WeakPolarHBondContact SG-CA 3.5Å; C68-C87 WeakPolarHBondContact SG-CB 3.47Å; C68-C87 PolarHBondContact SG-N 3.27Å; C68-C87 CovalentContact SG-SG 2.04Å; C68-C87 PolarHBondContact SG-SG 3.33Å |
| 69 | I | 74.8 | Confident | 72.5 | Confident | 80 Ų | 80 | 77.3 Ų | 77.3 | 41% | 0.41 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.7 | 178.5 | -55 | -169.9 | 0 | 0 | 0 | 108.5 | A51 Q52 A54 F57 | A51-I69 CarbonylContact C-O 3.52Å; A51-I69 VanDerWaalsContact CA-O 3.26Å; A51-I69 WeakPolarHBondContact CA-O 3.37Å; Q52-I69 PolarHBondContact N-O 3.43Å; Q52-I69 PolarHBondContact O-N 2.83Å; A54-I69 HydrophobicContact CB-CD1 3.35Å; A54-I69 HydrophobicContact CB-CG1 3.99Å; F57-I69 HydrophobicContact CD2-CD1 4.01Å; F57-I69 HydrophobicContact CE2-CD1 4.1Å |
| 70 | G | 69.3 | Low | 73.8 | Confident | 52 Ų | 52 | 76.3 Ų | 76.3 | 54% | 0.536 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 82.4 | 35.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116 | A51 | A51-G70 WeakPolarHBondContact CA-O 3.47Å; A51-G70 PolarHBondContact N-O 3.36Å |
| 71 | G | 64.8 | Low | 75.1 | Confident | 30 Ų | 30 | 78.5 Ų | 78.5 | 31% | 0.309 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -130.8 | -164.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | A51 T73 | A51-G71 VanDerWaalsContact CB-CA 3.44Å; G71-T73 VanDerWaalsContact C-N 3.32Å |
| 72 | R | 65.8 | Low | 76.1 | Confident | 240 Ų | 240 | 75.2 Ų | 75.2 | 91% | 0.906 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -73.4 | -23.4 | 172.7 | -72.7 | -177.3 | 177.6 | 176.6 | 1 | 113.3 | ||
| 73 | T | 66.6 | Low | 76.7 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 23% | 0.227 | 38% | 0.384 | C | S | . | . | trans | -113.4 | 135.9 | -178 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | C68 G71 G75 Y77 A86 | C68-T73 HydrophobicContact CB-CG2 3.99Å; C68-T73 WeakPolarHBondContact CB-O 3.33Å; G71-T73 VanDerWaalsContact C-N 3.32Å; T73-G75 PolarHBondContact OG1-N 2.8Å; T73-Y77 PolarHBondContact OG1-OH 3.24Å; T73-A86 HydrophobicContact CG2-CB 4.13Å; T73-A86 WeakPolarHBondContact CG2-O 3.38Å | ||
| 74 | H | 72.4 | Confident | 77.4 | Confident | 158 Ų | 158 | 64 Ų | 64 | 73% | 0.731 | 36% | 0.358 | S | S | * | . | trans | -108 | 44.1 | 170 | -68.6 | -79.7 | 0 | 0 | 0 | 110.2 | ||||
| 75 | G | 76.6 | Confident | 77.8 | Confident | 16 Ų | 16 | 67.3 Ų | 67.3 | 17% | 0.165 | 38% | 0.375 | C | S | . | . | trans | -82.5 | 150.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C68 T73 Y77 | C68-G75 PolarHBondContact N-O 3.19Å; T73-G75 PolarHBondContact OG1-N 2.8Å; G75-Y77 VanDerWaalsContact C-CE2 3.44Å; G75-Y77 VanDerWaalsContact O-CE2 3.32Å; G75-Y77 WeakPolarHBondContact O-CE2 3.11Å | ||
| 76 | C | 82 | Confident | 78 | Confident | 37 Ų | 37 | 65.4 Ų | 65.4 | 25% | 0.25 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 134.1 | 169 | -58.9 | 0 | 0 | 0 | 0 | 108.7 | C60 K64 Y66 C67 | C60-C76 HydrophobicContact CB-CB 3.7Å; C60-C76 WeakPolarHBondContact CB-SG 3.32Å; K64-C76 HydrophobicContact CB-CB 4.04Å; K64-C76 VanDerWaalsContact CD-C 3.45Å; K64-C76 HydrophobicContact CD-CB 3.81Å; K64-C76 WeakPolarHBondContact CD-O 3.3Å; K64-C76 PolarHBondContact NZ-O 2.03Å; K64-C76 VanDerWaalsContact NZ-O 3.1Å; Y66-C76 CarbonylContact O-C 3.55Å; Y66-C76 WeakPolarHBondContact O-CA 2.95Å; C67-C76 PolarHBondContact SG-SG 3.06Å |
| 77 | Y | 82.7 | Confident | 77.8 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.1 | -174.2 | -56.9 | -85.7 | 0 | 0 | 0 | 111.8 | C65 Y66 T73 G75 E82 C83 A86 | C65-Y77 PolarHBondContact N-O 3.48Å; Y66-Y77 PolarHBondContact N-O 3.23Å; Y66-Y77 PolarHBondContact O-N 3.13Å; T73-Y77 PolarHBondContact OG1-OH 3.24Å; G75-Y77 VanDerWaalsContact C-CE2 3.44Å; G75-Y77 VanDerWaalsContact O-CE2 3.32Å; G75-Y77 WeakPolarHBondContact O-CE2 3.11Å; Y77-E82 HydrophobicContact CD1-CB 3.81Å; Y77-E82 HydrophobicContact CG-CB 4.15Å; Y77-C83 VanDerWaalsContact CD2-CA 3.45Å; Y77-C83 HydrophobicContact CD2-CB 3.68Å; Y77-C83 HydrophobicContact CG-CB 3.98Å; Y77-A86 HydrophobicContact CE1-CB 3.71Å; Y77-A86 HydrophobicContact CE2-CB 3.88Å; Y77-A86 WeakPolarHBondContact OH-CB 2.97Å |
| 78 | S | 83.3 | Confident | 77.2 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 48% | 0.483 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -79.4 | -29.4 | -177.1 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | E82 | S78-E82 PolarHBondContact N-OE2 3.38Š|
| 79 | T | 83.1 | Confident | 77.1 | Confident | 61 Ų | 61 | 75 Ų | 75 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -123.9 | 153.4 | 179.4 | 72.1 | 0 | 0 | 0 | 0 | 111.7 | A81 E82 C83 | T79-A81 PolarHBondContact O-N 3.34Å; T79-E82 PolarHBondContact O-N 3.47Å; T79-E82 WeakPolarHBondContact OG1-CG 3.35Å; T79-E82 PolarHBondContact OG1-N 3.47Å; T79-C83 PolarHBondContact O-N 3.14Å |
| 80 | L | 81.7 | Confident | 77.2 | Confident | 92 Ų | 92 | 74.7 Ų | 74.7 | 48% | 0.482 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.8 | -33.6 | 175.3 | -177.9 | 61.7 | 0 | 0 | 0 | 111.9 | C53 Y66 C83 S84 | C53-L80 HydrophobicContact CB-CD1 3.45Å; C53-L80 VanDerWaalsContact CB-CD1 3.45Å; Y66-L80 HydrophobicContact CD1-CB 4.06Å; Y66-L80 HydrophobicContact CD1-CD1 3.83Å; Y66-L80 HydrophobicContact CE1-CB 3.8Å; Y66-L80 HydrophobicContact CE1-CD1 4.04Å; Y66-L80 HydrophobicContact CE1-CG 4.4Å; Y66-L80 HydrophobicContact CE2-CB 4.37Å; Y66-L80 HydrophobicContact CG-CB 4.45Å; L80-C83 PolarHBondContact O-N 2.98Å; L80-S84 WeakPolarHBondContact O-CB 3.36Å; L80-S84 PolarHBondContact O-N 3.25Å |
| 81 | A | 84.3 | Confident | 77.7 | Confident | 58 Ų | 58 | 75.9 Ų | 75.9 | 48% | 0.479 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | T79 C83 S84 H85 | T79-A81 PolarHBondContact O-N 3.34Å; A81-C83 VanDerWaalsContact C-N 3.33Å; A81-C83 PolarHBondContact O-N 3.27Å; A81-S84 PolarHBondContact O-N 2.85Å; A81-H85 PolarHBondContact O-N 3.46Å; A81-H85 PolarHBondContact O-ND1 3.1Å |
| 82 | E | 83.1 | Confident | 78.4 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.2 | -76 | 173.9 | 170.4 | 0 | 0 | 111.6 | Y77 S78 T79 H85 A86 | Y77-E82 HydrophobicContact CD1-CB 3.81Å; Y77-E82 HydrophobicContact CG-CB 4.15Å; S78-E82 PolarHBondContact N-OE2 3.38Å; T79-E82 PolarHBondContact O-N 3.47Å; T79-E82 WeakPolarHBondContact OG1-CG 3.35Å; T79-E82 PolarHBondContact OG1-N 3.47Å; E82-H85 PolarHBondContact O-N 3.33Å; E82-A86 WeakPolarHBondContact O-CB 3.15Å; E82-A86 PolarHBondContact O-N 3.09Å; E82-A86 VanDerWaalsContact O-N 3.14Å |
| 83 | C | 83.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 175.5 | 175.8 | 0 | 0 | 0 | 0 | 111 | C53 C68 Y77 T79 L80 A81 H85 A86 C87 | C53-C83 VanDerWaalsContact CA-SG 3.52Å; C53-C83 HydrophobicContact CB-CB 4.07Å; C53-C83 WeakPolarHBondContact CB-SG 2.92Å; C53-C83 WeakPolarHBondContact SG-CB 3Å; C53-C83 CovalentContact SG-SG 2.04Å; C53-C83 PolarHBondContact SG-SG 3.38Å; C68-C83 PolarHBondContact SG-O 3.43Å; C68-C83 PolarHBondContact SG-SG 3.38Å; Y77-C83 VanDerWaalsContact CD2-CA 3.45Å; Y77-C83 HydrophobicContact CD2-CB 3.68Å; Y77-C83 HydrophobicContact CG-CB 3.98Å; T79-C83 PolarHBondContact O-N 3.14Å; L80-C83 PolarHBondContact O-N 2.98Å; A81-C83 VanDerWaalsContact C-N 3.33Å; A81-C83 PolarHBondContact O-N 3.27Å; C83-H85 VanDerWaalsContact C-N 3.33Å; C83-H85 PolarHBondContact O-N 2.79Å; C83-A86 PolarHBondContact O-N 2.04Å; C83-A86 VanDerWaalsContact O-N 3.09Å; C83-C87 VanDerWaalsContact O-CB 3.3Å; C83-C87 WeakPolarHBondContact O-CB 3.37Å; C83-C87 PolarHBondContact O-N 3.43Å; C83-C87 PolarHBondContact O-SG 3.26Å; C83-C87 VanDerWaalsContact SG-SG 3.63Å |
| 84 | S | 81 | Confident | 80.1 | Confident | 50 Ų | 50 | 70.7 Ų | 70.7 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | -177.3 | -172.3 | 0 | 0 | 0 | 0 | 111 | C53 L80 A81 A86 C87 F88 | C53-S84 PolarHBondContact SG-N 3.2Å; L80-S84 WeakPolarHBondContact O-CB 3.36Å; L80-S84 PolarHBondContact O-N 3.25Å; A81-S84 PolarHBondContact O-N 2.85Å; S84-A86 PolarHBondContact O-N 3.35Å; S84-C87 PolarHBondContact O-N 3.25Å; S84-F88 WeakPolarHBondContact O-CD2 3.26Å; S84-F88 WeakPolarHBondContact O-CE2 3Å |
| 85 | H | 83.7 | Confident | 80.6 | Confident | 146 Ų | 146 | 64.4 Ų | 64.4 | 68% | 0.676 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.4 | -33.2 | 178 | -69.2 | 160.6 | 0 | 0 | 0 | 113.1 | A81 E82 C83 | A81-H85 PolarHBondContact O-N 3.46Å; A81-H85 PolarHBondContact O-ND1 3.1Å; E82-H85 PolarHBondContact O-N 3.33Å; C83-H85 VanDerWaalsContact C-N 3.33Å; C83-H85 PolarHBondContact O-N 2.79Å |
| 86 | A | 80.7 | Confident | 80.9 | Confident | 28 Ų | 28 | 68.2 Ų | 68.2 | 23% | 0.231 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -85.6 | -26.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T73 Y77 E82 C83 S84 F88 | T73-A86 HydrophobicContact CG2-CB 4.13Å; T73-A86 WeakPolarHBondContact CG2-O 3.38Å; Y77-A86 HydrophobicContact CE1-CB 3.71Å; Y77-A86 HydrophobicContact CE2-CB 3.88Å; Y77-A86 WeakPolarHBondContact OH-CB 2.97Å; E82-A86 WeakPolarHBondContact O-CB 3.15Å; E82-A86 PolarHBondContact O-N 3.09Å; E82-A86 VanDerWaalsContact O-N 3.14Å; C83-A86 PolarHBondContact O-N 2.04Å; C83-A86 VanDerWaalsContact O-N 3.09Å; S84-A86 PolarHBondContact O-N 3.35Å; A86-F88 VanDerWaalsContact C-N 3.27Å; A86-F88 PolarHBondContact O-N 3.27Å |
| 87 | C | 75.7 | Confident | 80.8 | Confident | 9 Ų | 9 | 70.8 Ų | 70.8 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.4 | -22.4 | -178.2 | -91.1 | 0 | 0 | 0 | 0 | 113.7 | A51 C53 C68 C83 S84 | A51-C87 HydrophobicContact CB-CB 3.78Å; A51-C87 WeakPolarHBondContact CB-O 3.4Å; C53-C87 PolarHBondContact SG-SG 3.18Å; C68-C87 WeakPolarHBondContact CA-SG 3.12Å; C68-C87 HydrophobicContact CB-CB 4.31Å; C68-C87 WeakPolarHBondContact CB-SG 3.02Å; C68-C87 WeakPolarHBondContact SG-CA 3.5Å; C68-C87 WeakPolarHBondContact SG-CB 3.47Å; C68-C87 PolarHBondContact SG-N 3.27Å; C68-C87 CovalentContact SG-SG 2.04Å; C68-C87 PolarHBondContact SG-SG 3.33Å; C83-C87 VanDerWaalsContact O-CB 3.3Å; C83-C87 WeakPolarHBondContact O-CB 3.37Å; C83-C87 PolarHBondContact O-N 3.43Å; C83-C87 PolarHBondContact O-SG 3.26Å; C83-C87 VanDerWaalsContact SG-SG 3.63Å; S84-C87 PolarHBondContact O-N 3.25Å |
| 88 | F | 66.9 | Low | 80.7 | Confident | 196 Ų | 196 | 72.8 Ų | 72.8 | 86% | 0.86 | 40% | 0.402 | S | S | * | . | trans | -63 | 0 | 178.1 | -62.2 | -70.3 | 0 | 0 | 0 | 113.5 | S84 A86 | S84-F88 WeakPolarHBondContact O-CD2 3.26Å; S84-F88 WeakPolarHBondContact O-CE2 3Å; A86-F88 VanDerWaalsContact C-N 3.27Å; A86-F88 PolarHBondContact O-N 3.27Å |
Retrieved 88 of 88 residues in 53.4 ms
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