| 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 | 39.2 | Very low | 55.4 | Low | 213 Ų | 213 | 136.8 Ų | 136.8 | 100% | 1.049 | 63% | 0.632 | S | S | * | * | 0 | 119.5 | 0 | -62.8 | -160 | -178 | 0 | 0 | 108.3 | Y3 | M1-Y3 PolarHBondContact O-N 3.3Š| |||
| 2 | T | 46.3 | Very low | 56.2 | Low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 61% | 0.614 | S | S | * | * | trans | -80.1 | 102.3 | 175.6 | 45.3 | 0 | 0 | 0 | 0 | 108.4 | R4 | T2-R4 PolarHBondContact O-N 3.43Š| ||
| 3 | Y | 43.1 | Very low | 56.8 | Low | 189 Ų | 189 | 125.9 Ų | 125.9 | 74% | 0.741 | 59% | 0.592 | S | S | * | * | trans | -65.1 | 100 | 169.6 | -69.2 | -83 | 0 | 0 | 0 | 107.8 | M1 Y5 | M1-Y3 PolarHBondContact O-N 3.3Å; Y3-Y5 VanDerWaalsContact C-N 3.28Å; Y3-Y5 PolarHBondContact O-N 3.24Å | ||
| 4 | R | 54.5 | Low | 57.3 | Low | 202 Ų | 202 | 127.1 Ų | 127.1 | 76% | 0.762 | 59% | 0.589 | S | S | * | * | trans | -71 | 93.2 | 168.4 | -75.8 | -179.1 | 179.7 | 154.3 | 1.8 | 106.6 | T2 | T2-R4 PolarHBondContact O-N 3.43Š| ||
| 5 | Y | 53.1 | Low | 58 | Low | 203 Ų | 203 | 125.9 Ų | 125.9 | 80% | 0.796 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 128.4 | 168.5 | -76.7 | -89.5 | 0 | 0 | 0 | 108.4 | Y3 C7 | Y3-Y5 VanDerWaalsContact C-N 3.28Å; Y3-Y5 PolarHBondContact O-N 3.24Å; Y5-C7 PolarHBondContact O-N 3.33Å; Y5-C7 VanDerWaalsContact O-N 3.08Å |
| 6 | P | 56.2 | Low | 58.7 | Low | 90 Ų | 90 | 129.1 Ų | 129.1 | 58% | 0.584 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -57 | 123.2 | 174 | 22.9 | -30.4 | 0 | 0 | 0 | 106.9 | I10 | P6-I10 HydrophobicContact CB-CB 4.07Å; P6-I10 HydrophobicContact CB-CD1 3.9Å; P6-I10 HydrophobicContact CB-CG2 4.03Å |
| 7 | C | 61.4 | Low | 59.2 | Low | 42 Ų | 42 | 130.9 Ų | 130.9 | 28% | 0.284 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 152.4 | -178.2 | 67 | 0 | 0 | 0 | 0 | 109.3 | Y5 H9 I10 C29 | Y5-C7 PolarHBondContact O-N 3.33Å; Y5-C7 VanDerWaalsContact O-N 3.08Å; C7-H9 PolarHBondContact O-N 3.22Å; C7-I10 PolarHBondContact O-N 2.89Å; C7-C29 PolarHBondContact SG-SG 3.49Å |
| 8 | R | 62.9 | Low | 59.5 | Low | 195 Ų | 195 | 128.8 Ų | 128.8 | 74% | 0.736 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -48.1 | -27.7 | 178 | -175.6 | 174.8 | 174.3 | -120.7 | 1.8 | 113.1 | L11 L12 | R8-L11 PolarHBondContact O-N 3.46Å; R8-L12 HydrophobicContact CG-CD1 4.16Å; R8-L12 HydrophobicContact CG-CG 4.5Å; R8-L12 WeakPolarHBondContact O-CG 3.34Å; R8-L12 PolarHBondContact O-N 3Å |
| 9 | H | 62.8 | Low | 60.2 | Low | 93 Ų | 93 | 129.1 Ų | 129.1 | 43% | 0.431 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.1 | -40.1 | 175 | -56.1 | 99.5 | 0 | 0 | 0 | 114 | C7 L11 L12 T13 W32 | C7-H9 PolarHBondContact O-N 3.22Å; H9-L11 VanDerWaalsContact C-N 3.3Å; H9-L11 PolarHBondContact O-N 3.36Å; H9-L12 PolarHBondContact O-N 3.14Å; H9-T13 WeakPolarHBondContact O-CB 3.13Å; H9-T13 PolarHBondContact O-N 3.19Å; H9-T13 PolarHBondContact O-OG1 2.88Å; H9-W32 AromaticContact CE1-CH2 3.87Å; H9-W32 AromaticContact CE1-CZ3 3.36Å; H9-W32 WeakPolarHBondContact CE1-CZ3 3.47Å; H9-W32 AromaticContact NE2-CH2 3.75Å; H9-W32 AromaticContact NE2-CZ3 3.73Å |
| 10 | I | 63.9 | Low | 60.3 | Low | 33 Ų | 33 | 125 Ų | 125 | 17% | 0.169 | 60% | 0.598 | C | S | . | * | H | α-helix | trans | -61.5 | -44.9 | 177 | -68.2 | 165 | 0 | 0 | 0 | 109.4 | P6 C7 T13 Y14 I25 L26 | P6-I10 HydrophobicContact CB-CB 4.07Å; P6-I10 HydrophobicContact CB-CD1 3.9Å; P6-I10 HydrophobicContact CB-CG2 4.03Å; C7-I10 PolarHBondContact O-N 2.89Å; I10-T13 PolarHBondContact O-N 2.95Å; I10-Y14 WeakPolarHBondContact O-CB 3.43Å; I10-Y14 PolarHBondContact O-N 3.26Å; I10-I25 HydrophobicContact CB-CG2 4.14Å; I10-I25 HydrophobicContact CG1-CG2 3.89Å; I10-I25 HydrophobicContact CG2-CG2 4.09Å; I10-L26 HydrophobicContact CD1-CD2 3.75Å |
| 11 | L | 66.4 | Low | 60.4 | Low | 114 Ų | 114 | 123.3 Ų | 123.3 | 60% | 0.597 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -59.4 | -49.9 | 176.2 | -173.5 | 66.5 | 0 | 0 | 0 | 111.3 | R8 H9 T13 Y14 V15 | R8-L11 PolarHBondContact O-N 3.46Å; H9-L11 VanDerWaalsContact C-N 3.3Å; H9-L11 PolarHBondContact O-N 3.36Å; L11-T13 PolarHBondContact O-N 3.36Å; L11-Y14 PolarHBondContact O-N 2.96Å; L11-V15 VanDerWaalsContact O-CG2 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.01Å; L11-V15 VanDerWaalsContact O-N 3.09Å |
| 12 | L | 64.3 | Low | 61.4 | Low | 80 Ų | 80 | 116.3 Ų | 116.3 | 42% | 0.419 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.7 | -37.3 | 179.2 | -71.7 | 170.5 | 0 | 0 | 0 | 113.3 | R8 H9 K16 | R8-L12 HydrophobicContact CG-CD1 4.16Å; R8-L12 HydrophobicContact CG-CG 4.5Å; R8-L12 WeakPolarHBondContact O-CG 3.34Å; R8-L12 PolarHBondContact O-N 3Å; H9-L12 PolarHBondContact O-N 3.14Å; L12-K16 PolarHBondContact O-N 3.43Å; L12-K16 VanDerWaalsContact O-N 3.17Å |
| 13 | T | 63.9 | Low | 62.2 | Low | 52 Ų | 52 | 116 Ų | 116 | 32% | 0.319 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.9 | -41.3 | 179.9 | -47.9 | 0 | 0 | 0 | 0 | 110.9 | H9 I10 L11 K16 R17 L20 I25 | H9-T13 WeakPolarHBondContact O-CB 3.13Å; H9-T13 PolarHBondContact O-N 3.19Å; H9-T13 PolarHBondContact O-OG1 2.88Å; I10-T13 PolarHBondContact O-N 2.95Å; L11-T13 PolarHBondContact O-N 3.36Å; T13-K16 PolarHBondContact O-N 3.41Å; T13-R17 PolarHBondContact O-N 3.07Å; T13-L20 HydrophobicContact CG2-CD1 4.23Å; T13-I25 HydrophobicContact CG2-CD1 4.4Å; T13-I25 HydrophobicContact CG2-CG1 4.23Å; T13-I25 HydrophobicContact CG2-CG2 4.17Å |
| 14 | Y | 64.2 | Low | 63.1 | Low | 143 Ų | 143 | 112 Ų | 112 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.7 | -44.4 | 175.4 | -175.3 | -101.1 | 0 | 0 | 0 | 111.7 | I10 L11 K16 R17 | I10-Y14 WeakPolarHBondContact O-CB 3.43Å; I10-Y14 PolarHBondContact O-N 3.26Å; L11-Y14 PolarHBondContact O-N 2.96Å; Y14-K16 VanDerWaalsContact C-N 3.34Å; Y14-K16 PolarHBondContact O-N 3.24Å; Y14-R17 CarbonylContact O-C 3.6Å; Y14-R17 PolarHBondContact O-N 2.88Å |
| 15 | V | 68.2 | Low | 63.4 | Low | 108 Ų | 108 | 102.8 Ų | 102.8 | 66% | 0.655 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.3 | -41 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 112 | L11 | L11-V15 VanDerWaalsContact O-CG2 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.01Å; L11-V15 VanDerWaalsContact O-N 3.09Å |
| 16 | K | 68.5 | Low | 63.6 | Low | 177 Ų | 177 | 97.7 Ų | 97.7 | 77% | 0.77 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -78.2 | -26.1 | -178.6 | -72.5 | -169.9 | 177.8 | -170.9 | 0 | 114 | L12 T13 Y14 | L12-K16 PolarHBondContact O-N 3.43Å; L12-K16 VanDerWaalsContact O-N 3.17Å; T13-K16 PolarHBondContact O-N 3.41Å; Y14-K16 VanDerWaalsContact C-N 3.34Å; Y14-K16 PolarHBondContact O-N 3.24Å |
| 17 | R | 66.9 | Low | 63.7 | Low | 160 Ų | 160 | 101.7 Ų | 101.7 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | trans | -145.5 | 80.5 | -173.6 | -67 | -173.4 | 179.4 | -179.2 | 0.7 | 110.7 | T13 Y14 T19 L20 | T13-R17 PolarHBondContact O-N 3.07Å; Y14-R17 CarbonylContact O-C 3.6Å; Y14-R17 PolarHBondContact O-N 2.88Å; R17-T19 PolarHBondContact O-N 3.14Å; R17-L20 HydrophobicContact CB-CD1 3.63Å; R17-L20 HydrophobicContact CB-CG 3.86Å; R17-L20 HydrophobicContact CG-CD1 4.24Å; R17-L20 PolarHBondContact O-N 2.92Å; R17-L20 VanDerWaalsContact O-N 3.15Å | ||
| 18 | P | 64.4 | Low | 63.5 | Low | 93 Ų | 93 | 103.2 Ų | 103.2 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.4 | -175.7 | 23.3 | -32 | 0 | 0 | 0 | 113.9 | L20 | P18-L20 PolarHBondContact O-N 3.29Š|
| 19 | T | 73.4 | Confident | 63.2 | Low | 134 Ų | 134 | 95.9 Ų | 95.9 | 82% | 0.822 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -8.8 | 176.8 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | R17 T21 | R17-T19 PolarHBondContact O-N 3.14Å; T19-T21 PolarHBondContact O-N 3.33Å |
| 20 | L | 62.3 | Low | 62.9 | Low | 47 Ų | 47 | 94.9 Ų | 94.9 | 25% | 0.246 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -80.7 | 111.7 | 176.8 | -69.8 | 179.2 | 0 | 0 | 0 | 110.5 | T13 R17 P18 H24 I25 | T13-L20 HydrophobicContact CG2-CD1 4.23Å; R17-L20 HydrophobicContact CB-CD1 3.63Å; R17-L20 HydrophobicContact CB-CG 3.86Å; R17-L20 HydrophobicContact CG-CD1 4.24Å; R17-L20 PolarHBondContact O-N 2.92Å; R17-L20 VanDerWaalsContact O-N 3.15Å; P18-L20 PolarHBondContact O-N 3.29Å; L20-H24 HydrophobicContact CD2-CB 4.2Å; L20-I25 HydrophobicContact CB-CD1 4.25Å; L20-I25 HydrophobicContact CB-CG1 4.11Å |
| 21 | T | 62.8 | Low | 62.4 | Low | 91 Ų | 91 | 102.4 Ų | 102.4 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | trans | -56.8 | 143.8 | 170.9 | -13.6 | 0 | 0 | 0 | 0 | 110.5 | T19 H23 H24 | T19-T21 PolarHBondContact O-N 3.33Å; T21-H23 PolarHBondContact O-N 2.85Å; T21-H24 WeakPolarHBondContact O-CB 3.41Å; T21-H24 PolarHBondContact O-N 3.45Å; T21-H24 PolarHBondContact OG1-ND1 2.95Å | ||
| 22 | A | 60.9 | Low | 61.5 | Low | 66 Ų | 66 | 103 Ų | 103 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -48.2 | -35.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H24 I25 L26 | A22-H24 VanDerWaalsContact C-N 3.34Å; A22-H24 PolarHBondContact O-N 3.08Å; A22-I25 PolarHBondContact O-N 3.27Å; A22-I25 VanDerWaalsContact O-N 3.08Å; A22-L26 WeakPolarHBondContact O-CB 3.31Å; A22-L26 VanDerWaalsContact O-CG 3.25Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 2.79Å |
| 23 | H | 62.4 | Low | 60.9 | Low | 124 Ų | 124 | 105.2 Ų | 105.2 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.6 | -41.1 | 175 | -176.1 | -97.3 | 0 | 0 | 0 | 113.7 | T21 I25 L26 R27 | T21-H23 PolarHBondContact O-N 2.85Å; H23-I25 VanDerWaalsContact C-N 3.28Å; H23-I25 PolarHBondContact O-N 3.49Å; H23-L26 PolarHBondContact O-N 2.96Å; H23-R27 PolarHBondContact O-N 2.65Å |
| 24 | H | 62.8 | Low | 60.4 | Low | 105 Ų | 105 | 108.8 Ų | 108.8 | 49% | 0.486 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.1 | -28.9 | 176.5 | -68.5 | 110.5 | 0 | 0 | 0 | 112.8 | L20 T21 A22 P28 | L20-H24 HydrophobicContact CD2-CB 4.2Å; T21-H24 WeakPolarHBondContact O-CB 3.41Å; T21-H24 PolarHBondContact O-N 3.45Å; T21-H24 PolarHBondContact OG1-ND1 2.95Å; A22-H24 VanDerWaalsContact C-N 3.34Å; A22-H24 PolarHBondContact O-N 3.08Å; H24-P28 WeakPolarHBondContact O-CD 3.45Å; H24-P28 WeakPolarHBondContact O-CG 3.39Å |
| 25 | I | 59.3 | Low | 59.8 | Low | 9 Ų | 9 | 106.7 Ų | 106.7 | 5% | 0.046 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -86 | -32.7 | -179 | -50.8 | 177.4 | 0 | 0 | 0 | 111 | I10 T13 L20 A22 H23 P28 | I10-I25 HydrophobicContact CB-CG2 4.14Å; I10-I25 HydrophobicContact CG1-CG2 3.89Å; I10-I25 HydrophobicContact CG2-CG2 4.09Å; T13-I25 HydrophobicContact CG2-CD1 4.4Å; T13-I25 HydrophobicContact CG2-CG1 4.23Å; T13-I25 HydrophobicContact CG2-CG2 4.17Å; L20-I25 HydrophobicContact CB-CD1 4.25Å; L20-I25 HydrophobicContact CB-CG1 4.11Å; A22-I25 PolarHBondContact O-N 3.27Å; A22-I25 VanDerWaalsContact O-N 3.08Å; H23-I25 VanDerWaalsContact C-N 3.28Å; H23-I25 PolarHBondContact O-N 3.49Å; I25-P28 VanDerWaalsContact O-CD 3.31Å; I25-P28 WeakPolarHBondContact O-CD 3.37Å |
| 26 | L | 57.3 | Low | 58.7 | Low | 95 Ų | 95 | 104.8 Ų | 104.8 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.6 | -32.5 | 178.6 | -69.3 | 173.3 | 0 | 0 | 0 | 113.2 | I10 A22 H23 C29 S30 | I10-L26 HydrophobicContact CD1-CD2 3.75Å; A22-L26 WeakPolarHBondContact O-CB 3.31Å; A22-L26 VanDerWaalsContact O-CG 3.25Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 2.79Å; H23-L26 PolarHBondContact O-N 2.96Å; L26-C29 WeakPolarHBondContact O-CB 3.29Å; L26-C29 PolarHBondContact O-N 3.26Å; L26-C29 VanDerWaalsContact O-N 3.09Å; L26-S30 PolarHBondContact O-N 3.18Å; L26-S30 VanDerWaalsContact O-N 3.08Å |
| 27 | R | 59 | Low | 58 | Low | 175 Ų | 175 | 100.7 Ų | 100.7 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.4 | -48.9 | 176.5 | -110.8 | -178.3 | 170.1 | -152.2 | -2.1 | 113.7 | H23 C29 S30 R31 | H23-R27 PolarHBondContact O-N 2.65Å; R27-C29 VanDerWaalsContact C-N 3.27Å; R27-C29 PolarHBondContact O-N 3.42Å; R27-S30 PolarHBondContact O-OG 2.75Å; R27-S30 VanDerWaalsContact O-OG 3.04Å; R27-R31 PolarHBondContact O-N 3.08Å |
| 28 | P | 56.2 | Low | 57.1 | Low | 74 Ų | 74 | 98.4 Ų | 98.4 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 170.6 | -17.2 | 21.2 | 0 | 0 | 0 | 111.3 | H24 I25 S30 R31 W32 | H24-P28 WeakPolarHBondContact O-CD 3.45Å; H24-P28 WeakPolarHBondContact O-CG 3.39Å; I25-P28 VanDerWaalsContact O-CD 3.31Å; I25-P28 WeakPolarHBondContact O-CD 3.37Å; P28-S30 PolarHBondContact O-N 2.92Å; P28-R31 PolarHBondContact O-N 3.22Å; P28-W32 VanDerWaalsContact O-CB 3.31Å; P28-W32 WeakPolarHBondContact O-CB 3.29Å; P28-W32 PolarHBondContact O-N 3.07Å |
| 29 | C | 56.4 | Low | 56.4 | Low | 40 Ų | 40 | 97.4 Ų | 97.4 | 27% | 0.27 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -34.5 | -173.8 | -162.4 | 0 | 0 | 0 | 0 | 113.5 | C7 L26 R27 K33 | C7-C29 PolarHBondContact SG-SG 3.49Å; L26-C29 WeakPolarHBondContact O-CB 3.29Å; L26-C29 PolarHBondContact O-N 3.26Å; L26-C29 VanDerWaalsContact O-N 3.09Å; R27-C29 VanDerWaalsContact C-N 3.27Å; R27-C29 PolarHBondContact O-N 3.42Å; C29-K33 WeakPolarHBondContact O-CB 3.2Å; C29-K33 PolarHBondContact O-N 3.43Å |
| 30 | S | 57 | Low | 55.1 | Low | 73 Ų | 73 | 98 Ų | 98 | 51% | 0.51 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.4 | -42.9 | 174.2 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | L26 R27 P28 W32 K33 L34 | L26-S30 PolarHBondContact O-N 3.18Å; L26-S30 VanDerWaalsContact O-N 3.08Å; R27-S30 PolarHBondContact O-OG 2.75Å; R27-S30 VanDerWaalsContact O-OG 3.04Å; P28-S30 PolarHBondContact O-N 2.92Å; S30-W32 VanDerWaalsContact C-N 3.32Å; S30-W32 PolarHBondContact O-N 2.91Å; S30-K33 WeakPolarHBondContact O-CB 3.37Å; S30-K33 PolarHBondContact O-N 3.46Å; S30-L34 PolarHBondContact O-N 3.11Å |
| 31 | R | 53.8 | Low | 54.5 | Low | 191 Ų | 191 | 102.1 Ų | 102.1 | 72% | 0.721 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.8 | -37.2 | 171.9 | -71.9 | -176.7 | 73.1 | -179.7 | 3.1 | 112.1 | R27 P28 K33 L34 N35 | R27-R31 PolarHBondContact O-N 3.08Å; P28-R31 PolarHBondContact O-N 3.22Å; R31-K33 VanDerWaalsContact C-N 3.3Å; R31-K33 PolarHBondContact O-N 3.08Å; R31-L34 PolarHBondContact O-N 3.41Å; R31-N35 PolarHBondContact O-N 3.3Å; R31-N35 VanDerWaalsContact O-N 3.09Å |
| 32 | W | 48.4 | Very low | 53.8 | Low | 125 Ų | 125 | 104.5 Ų | 104.5 | 47% | 0.473 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.3 | -32.8 | 174.7 | -127.6 | 64.6 | 0 | 0 | 0 | 111.7 | H9 P28 S30 L34 N35 N36 | H9-W32 AromaticContact CE1-CH2 3.87Å; H9-W32 AromaticContact CE1-CZ3 3.36Å; H9-W32 WeakPolarHBondContact CE1-CZ3 3.47Å; H9-W32 AromaticContact NE2-CH2 3.75Å; H9-W32 AromaticContact NE2-CZ3 3.73Å; P28-W32 VanDerWaalsContact O-CB 3.31Å; P28-W32 WeakPolarHBondContact O-CB 3.29Å; P28-W32 PolarHBondContact O-N 3.07Å; S30-W32 VanDerWaalsContact C-N 3.32Å; S30-W32 PolarHBondContact O-N 2.91Å; W32-L34 VanDerWaalsContact C-N 3.32Å; W32-L34 PolarHBondContact O-N 3.06Å; W32-N35 PolarHBondContact O-N 3.49Å; W32-N36 VanDerWaalsContact CE3-ND2 3.32Å; W32-N36 VanDerWaalsContact CZ3-ND2 3.28Å; W32-N36 WeakPolarHBondContact CZ3-ND2 3.05Å; W32-N36 VanDerWaalsContact O-CB 3.26Å; W32-N36 WeakPolarHBondContact O-CB 3.46Å; W32-N36 PolarHBondContact O-N 3.3Å |
| 33 | K | 51.1 | Low | 53.1 | Low | 127 Ų | 127 | 106 Ų | 106 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.8 | -40.6 | 174.1 | -153.6 | 178.1 | -174.7 | -173.7 | 0 | 111.3 | C29 S30 R31 T37 | C29-K33 WeakPolarHBondContact O-CB 3.2Å; C29-K33 PolarHBondContact O-N 3.43Å; S30-K33 WeakPolarHBondContact O-CB 3.37Å; S30-K33 PolarHBondContact O-N 3.46Å; R31-K33 VanDerWaalsContact C-N 3.3Å; R31-K33 PolarHBondContact O-N 3.08Å; K33-T37 PolarHBondContact O-N 3.39Å; K33-T37 PolarHBondContact O-OG1 2.97Å |
| 34 | L | 52.2 | Low | 52.4 | Low | 128 Ų | 128 | 104.5 Ų | 104.5 | 67% | 0.67 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.9 | -49.4 | 175 | -76.7 | 165.5 | 0 | 0 | 0 | 111.6 | S30 R31 W32 N36 T37 H38 | S30-L34 PolarHBondContact O-N 3.11Å; R31-L34 PolarHBondContact O-N 3.41Å; W32-L34 VanDerWaalsContact C-N 3.32Å; W32-L34 PolarHBondContact O-N 3.06Å; L34-N36 VanDerWaalsContact C-N 3.33Å; L34-N36 PolarHBondContact O-N 3.4Å; L34-T37 PolarHBondContact O-N 3.28Å; L34-T37 VanDerWaalsContact O-N 3.15Å; L34-H38 PolarHBondContact O-N 2.95Å |
| 35 | N | 52.4 | Low | 51.9 | Low | 99 Ų | 99 | 104.9 Ų | 104.9 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 178.4 | -73.2 | 2.1 | 0 | 0 | 0 | 112.3 | R31 W32 H38 N39 | R31-N35 PolarHBondContact O-N 3.3Å; R31-N35 VanDerWaalsContact O-N 3.09Å; W32-N35 PolarHBondContact O-N 3.49Å; N35-H38 PolarHBondContact O-N 3.37Å; N35-N39 WeakPolarHBondContact O-CB 3.42Å; N35-N39 PolarHBondContact O-N 3.35Å; N35-N39 PolarHBondContact O-ND2 2.94Å |
| 36 | N | 45.7 | Very low | 51.4 | Low | 68 Ų | 68 | 109.2 Ų | 109.2 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.2 | -32.6 | 174.7 | -91.7 | 0.8 | 0 | 0 | 0 | 112.1 | W32 L34 H38 N39 F40 | W32-N36 VanDerWaalsContact CE3-ND2 3.32Å; W32-N36 VanDerWaalsContact CZ3-ND2 3.28Å; W32-N36 WeakPolarHBondContact CZ3-ND2 3.05Å; W32-N36 VanDerWaalsContact O-CB 3.26Å; W32-N36 WeakPolarHBondContact O-CB 3.46Å; W32-N36 PolarHBondContact O-N 3.3Å; L34-N36 VanDerWaalsContact C-N 3.33Å; L34-N36 PolarHBondContact O-N 3.4Å; N36-H38 VanDerWaalsContact C-N 3.32Å; N36-N39 CarbonylContact O-C 3.58Å; N36-N39 PolarHBondContact O-N 3.16Å; N36-F40 WeakPolarHBondContact O-CA 3.44Å; N36-F40 WeakPolarHBondContact O-CB 3.4Å; N36-F40 PolarHBondContact O-N 3.03Å |
| 37 | T | 53.2 | Low | 51.3 | Low | 91 Ų | 91 | 109 Ų | 109 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.6 | -38.6 | 176 | -45.6 | 0 | 0 | 0 | 0 | 110.2 | K33 L34 F40 H41 | K33-T37 PolarHBondContact O-N 3.39Å; K33-T37 PolarHBondContact O-OG1 2.97Å; L34-T37 PolarHBondContact O-N 3.28Å; L34-T37 VanDerWaalsContact O-N 3.15Å; T37-F40 PolarHBondContact O-N 2.95Å; T37-H41 WeakPolarHBondContact O-CB 3.21Å; T37-H41 PolarHBondContact O-N 3.23Å |
| 38 | H | 49.1 | Very low | 51.3 | Low | 111 Ų | 111 | 108.3 Ų | 108.3 | 51% | 0.514 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.1 | -48.9 | 173.7 | -160.4 | 63.7 | 0 | 0 | 0 | 111.5 | L34 N35 N36 F40 H41 Y42 | L34-H38 PolarHBondContact O-N 2.95Å; N35-H38 PolarHBondContact O-N 3.37Å; N36-H38 VanDerWaalsContact C-N 3.32Å; H38-F40 VanDerWaalsContact C-N 3.32Å; H38-F40 PolarHBondContact O-N 2.91Å; H38-H41 PolarHBondContact O-N 2.93Å; H38-Y42 AromaticContact CD2-CE2 3.9Å; H38-Y42 AromaticContact CE1-CE2 3.45Å; H38-Y42 VanDerWaalsContact CE1-CE2 3.45Å; H38-Y42 WeakPolarHBondContact CE1-CE2 3.29Å; H38-Y42 AromaticContact ND1-CE2 3.81Å; H38-Y42 AromaticContact NE2-CE2 3.5Å; H38-Y42 WeakPolarHBondContact NE2-CE2 3.47Å; H38-Y42 WeakPolarHBondContact O-CD2 3.37Å; H38-Y42 PolarHBondContact O-N 2.95Å; H38-Y42 VanDerWaalsContact O-N 3.09Å |
| 39 | N | 48.8 | Very low | 51.4 | Low | 73 Ų | 73 | 110.1 Ų | 110.1 | 39% | 0.39 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.9 | -32.3 | 174.4 | -68.6 | -30 | 0 | 0 | 0 | 112.2 | N35 N36 H41 Y42 N43 | N35-N39 WeakPolarHBondContact O-CB 3.42Å; N35-N39 PolarHBondContact O-N 3.35Å; N35-N39 PolarHBondContact O-ND2 2.94Å; N36-N39 CarbonylContact O-C 3.58Å; N36-N39 PolarHBondContact O-N 3.16Å; N39-H41 VanDerWaalsContact C-N 3.32Å; N39-Y42 PolarHBondContact O-N 3.47Å; N39-N43 WeakPolarHBondContact O-CA 3.33Å; N39-N43 WeakPolarHBondContact O-CB 3.38Å; N39-N43 PolarHBondContact O-N 3.47Å; N39-N43 PolarHBondContact O-ND2 2.98Å; N39-N43 PolarHBondContact O-OD1 3.36Å |
| 40 | F | 45.8 | Very low | 51.9 | Low | 146 Ų | 146 | 119.7 Ų | 119.7 | 64% | 0.64 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.4 | -39.1 | 176 | -136.2 | -96.1 | 0 | 0 | 0 | 110.1 | N36 T37 H38 T44 | N36-F40 WeakPolarHBondContact O-CA 3.44Å; N36-F40 WeakPolarHBondContact O-CB 3.4Å; N36-F40 PolarHBondContact O-N 3.03Å; T37-F40 PolarHBondContact O-N 2.95Å; H38-F40 VanDerWaalsContact C-N 3.32Å; H38-F40 PolarHBondContact O-N 2.91Å; F40-T44 HydrophobicContact CD1-CG2 4.03Å; F40-T44 HydrophobicContact CE1-CG2 4.14Å; F40-T44 WeakPolarHBondContact O-CB 3.34Å; F40-T44 PolarHBondContact O-N 3.4Å; F40-T44 PolarHBondContact O-OG1 3.36Å |
| 41 | H | 50.4 | Low | 52.6 | Low | 134 Ų | 134 | 124 Ų | 124 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.9 | -39.7 | 177.1 | -167.7 | 61.9 | 0 | 0 | 0 | 112 | T37 H38 N39 T44 | T37-H41 WeakPolarHBondContact O-CB 3.21Å; T37-H41 PolarHBondContact O-N 3.23Å; H38-H41 PolarHBondContact O-N 2.93Å; N39-H41 VanDerWaalsContact C-N 3.32Å; H41-T44 PolarHBondContact O-OG1 3.49Å |
| 42 | Y | 48.1 | Very low | 53.8 | Low | 140 Ų | 140 | 118 Ų | 118 | 55% | 0.549 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -78.2 | -33.6 | 175.4 | -72.6 | -69.4 | 0 | 0 | 0 | 113.8 | H38 N39 T45 | H38-Y42 AromaticContact CD2-CE2 3.9Å; H38-Y42 AromaticContact CE1-CE2 3.45Å; H38-Y42 VanDerWaalsContact CE1-CE2 3.45Å; H38-Y42 WeakPolarHBondContact CE1-CE2 3.29Å; H38-Y42 AromaticContact ND1-CE2 3.81Å; H38-Y42 AromaticContact NE2-CE2 3.5Å; H38-Y42 WeakPolarHBondContact NE2-CE2 3.47Å; H38-Y42 WeakPolarHBondContact O-CD2 3.37Å; H38-Y42 PolarHBondContact O-N 2.95Å; H38-Y42 VanDerWaalsContact O-N 3.09Å; N39-Y42 PolarHBondContact O-N 3.47Å; Y42-T45 PolarHBondContact O-OG1 3.03Å |
| 43 | N | 46.1 | Very low | 55.5 | Low | 99 Ų | 99 | 119.5 Ų | 119.5 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -85 | -14.6 | -178.8 | -58.4 | -12.4 | 0 | 0 | 0 | 112.7 | N39 T45 T46 | N39-N43 WeakPolarHBondContact O-CA 3.33Å; N39-N43 WeakPolarHBondContact O-CB 3.38Å; N39-N43 PolarHBondContact O-N 3.47Å; N39-N43 PolarHBondContact O-ND2 2.98Å; N39-N43 PolarHBondContact O-OD1 3.36Å; N43-T45 PolarHBondContact O-N 3.04Å; N43-T46 VanDerWaalsContact O-CB 3.31Å; N43-T46 WeakPolarHBondContact O-CB 3.39Å; N43-T46 PolarHBondContact O-N 3.05Å; N43-T46 VanDerWaalsContact O-N 3.1Å; N43-T46 PolarHBondContact O-OG1 3.11Å |
| 44 | T | 48.4 | Very low | 57 | Low | 91 Ų | 91 | 119.6 Ų | 119.6 | 56% | 0.558 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -20.1 | 169.7 | 23.6 | 0 | 0 | 0 | 0 | 112 | F40 H41 T46 | F40-T44 HydrophobicContact CD1-CG2 4.03Å; F40-T44 HydrophobicContact CE1-CG2 4.14Å; F40-T44 WeakPolarHBondContact O-CB 3.34Å; F40-T44 PolarHBondContact O-N 3.4Å; F40-T44 PolarHBondContact O-OG1 3.36Å; H41-T44 PolarHBondContact O-OG1 3.49Å; T44-T46 VanDerWaalsContact C-N 3.29Å |
| 45 | T | 50.5 | Low | 58.4 | Low | 113 Ų | 113 | 118 Ų | 118 | 69% | 0.693 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -8.2 | 170.8 | -21.1 | 0 | 0 | 0 | 0 | 112.9 | Y42 N43 S47 | Y42-T45 PolarHBondContact O-OG1 3.03Å; N43-T45 PolarHBondContact O-N 3.04Å; T45-S47 PolarHBondContact O-N 3.39Å |
| 46 | T | 50.2 | Low | 59.9 | Low | 101 Ų | 101 | 116.5 Ų | 116.5 | 62% | 0.62 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -69.9 | 77.1 | 157.4 | -36.3 | 0 | 0 | 0 | 0 | 106.2 | N43 T44 L48 | N43-T46 VanDerWaalsContact O-CB 3.31Å; N43-T46 WeakPolarHBondContact O-CB 3.39Å; N43-T46 PolarHBondContact O-N 3.05Å; N43-T46 VanDerWaalsContact O-N 3.1Å; N43-T46 PolarHBondContact O-OG1 3.11Å; T44-T46 VanDerWaalsContact C-N 3.29Å; T46-L48 PolarHBondContact O-N 3.08Å |
| 47 | S | 54.5 | Low | 61.7 | Low | 91 Ų | 91 | 121.2 Ų | 121.2 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | trans | -43.4 | 120.6 | 166.2 | 49.3 | 0 | 0 | 0 | 0 | 105.7 | T45 | T45-S47 PolarHBondContact O-N 3.39Š| ||
| 48 | L | 58.7 | Low | 63.2 | Low | 159 Ų | 159 | 119.5 Ų | 119.5 | 83% | 0.832 | 58% | 0.583 | S | S | * | * | trans | -45 | 127 | 166.3 | -72.5 | 170 | 0 | 0 | 0 | 105 | T46 R50 | T46-L48 PolarHBondContact O-N 3.08Å; L48-R50 PolarHBondContact O-N 3.38Å | ||
| 49 | P | 59.5 | Low | 64.8 | Low | 113 Ų | 113 | 118.3 Ų | 118.3 | 73% | 0.734 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 123.1 | -174.6 | 17.2 | -30.2 | 0 | 0 | 0 | 106.7 | R51 | P49-R51 PolarHBondContact O-N 3.41Š|
| 50 | R | 66.1 | Low | 66.7 | Low | 241 Ų | 241 | 123.3 Ų | 123.3 | 91% | 0.909 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 117.1 | -179.5 | 174.7 | 177.6 | 172.5 | 141.6 | -3.9 | 106 | L48 S52 | L48-R50 PolarHBondContact O-N 3.38Å; R50-S52 PolarHBondContact O-N 3.42Å |
| 51 | R | 71.9 | Confident | 68.6 | Low | 164 Ų | 164 | 118.7 Ų | 118.7 | 62% | 0.619 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 130.3 | -179.3 | -76.5 | 175.1 | 173.8 | 169.3 | 0.9 | 107.6 | P49 Y55 I56 | P49-R51 PolarHBondContact O-N 3.41Å; R51-Y55 HydrophobicContact CB-CD1 3.97Å; R51-Y55 HydrophobicContact CG-CD1 3.88Å; R51-Y55 HydrophobicContact CG-CE1 4.11Å; R51-I56 HydrophobicContact CB-CD1 4.24Å; R51-I56 HydrophobicContact CB-CG1 3.99Å |
| 52 | S | 79.1 | Confident | 70.3 | Confident | 63 Ų | 63 | 114.8 Ų | 114.8 | 44% | 0.441 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 146.6 | 178.4 | 64.7 | 0 | 0 | 0 | 0 | 109.3 | R50 E54 Y55 I56 | R50-S52 PolarHBondContact O-N 3.42Å; S52-E54 PolarHBondContact O-N 2.97Å; S52-Y55 PolarHBondContact O-N 3.43Å; S52-Y55 VanDerWaalsContact OG-CB 3.29Å; S52-Y55 WeakPolarHBondContact OG-CB 3.37Å; S52-Y55 PolarHBondContact OG-N 3.37Å; S52-I56 PolarHBondContact O-N 3.33Å |
| 53 | E | 83.8 | Confident | 72.2 | Confident | 158 Ų | 158 | 115.4 Ų | 115.4 | 74% | 0.738 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.6 | -31.3 | 176.6 | -175.2 | 157.4 | -159.1 | 0 | 0 | 111.5 | I56 R57 | E53-I56 PolarHBondContact O-N 3.04Å; E53-R57 WeakPolarHBondContact O-CB 3.32Å; E53-R57 PolarHBondContact O-N 3.49Å |
| 54 | E | 83.6 | Confident | 74.1 | Confident | 128 Ų | 128 | 115.1 Ų | 115.1 | 60% | 0.598 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.7 | -49.7 | 170.2 | -174.7 | 175.5 | -163.3 | 0 | 0 | 112.8 | S52 I56 R57 I58 | S52-E54 PolarHBondContact O-N 2.97Å; E54-I56 VanDerWaalsContact C-N 3.3Å; E54-I56 PolarHBondContact O-N 3.09Å; E54-R57 WeakPolarHBondContact O-CB 3.4Å; E54-R57 PolarHBondContact O-N 2.69Å; E54-R57 VanDerWaalsContact O-N 3.11Å; E54-I58 HydrophobicContact CG-CD1 3.96Å; E54-I58 WeakPolarHBondContact O-CG1 3.35Å; E54-I58 PolarHBondContact O-N 2.83Å |
| 55 | Y | 81.2 | Confident | 75.8 | Confident | 96 Ų | 96 | 116 Ų | 116 | 38% | 0.376 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.8 | -41.7 | 177.2 | 179.1 | -89.9 | 0 | 0 | 0 | 111.6 | R51 S52 R57 I58 Q59 | R51-Y55 HydrophobicContact CB-CD1 3.97Å; R51-Y55 HydrophobicContact CG-CD1 3.88Å; R51-Y55 HydrophobicContact CG-CE1 4.11Å; S52-Y55 PolarHBondContact O-N 3.43Å; S52-Y55 VanDerWaalsContact OG-CB 3.29Å; S52-Y55 WeakPolarHBondContact OG-CB 3.37Å; S52-Y55 PolarHBondContact OG-N 3.37Å; Y55-R57 VanDerWaalsContact C-N 3.32Å; Y55-R57 PolarHBondContact O-N 2.85Å; Y55-I58 PolarHBondContact O-N 2.87Å; Y55-Q59 HydrophobicContact CD1-CG 4.05Å; Y55-Q59 HydrophobicContact CE1-CG 3.6Å; Y55-Q59 HydrophobicContact CE2-CG 4.36Å; Y55-Q59 WeakPolarHBondContact O-CB 3.33Å; Y55-Q59 WeakPolarHBondContact O-CG 3.25Å; Y55-Q59 PolarHBondContact O-N 2.96Å |
| 56 | I | 83.2 | Confident | 77.4 | Confident | 66 Ų | 66 | 115 Ų | 115 | 34% | 0.338 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 176.4 | -64.7 | 171.5 | 0 | 0 | 0 | 110.6 | R51 S52 E53 E54 Q59 R60 | R51-I56 HydrophobicContact CB-CD1 4.24Å; R51-I56 HydrophobicContact CB-CG1 3.99Å; S52-I56 PolarHBondContact O-N 3.33Å; E53-I56 PolarHBondContact O-N 3.04Å; E54-I56 VanDerWaalsContact C-N 3.3Å; E54-I56 PolarHBondContact O-N 3.09Å; I56-Q59 PolarHBondContact O-N 3.48Å; I56-R60 WeakPolarHBondContact O-CG 3.4Å; I56-R60 PolarHBondContact O-N 3.28Å |
| 57 | R | 84.1 | Confident | 79 | Confident | 168 Ų | 168 | 115.2 Ų | 115.2 | 63% | 0.634 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 177.9 | -164.4 | -170 | -41.3 | -177.9 | 7.5 | 111.9 | E53 E54 Y55 R60 S61 | E53-R57 WeakPolarHBondContact O-CB 3.32Å; E53-R57 PolarHBondContact O-N 3.49Å; E54-R57 WeakPolarHBondContact O-CB 3.4Å; E54-R57 PolarHBondContact O-N 2.69Å; E54-R57 VanDerWaalsContact O-N 3.11Å; Y55-R57 VanDerWaalsContact C-N 3.32Å; Y55-R57 PolarHBondContact O-N 2.85Å; R57-R60 PolarHBondContact O-N 3.17Å; R57-S61 PolarHBondContact O-N 3.2Å; R57-S61 PolarHBondContact O-OG 2.95Å |
| 58 | I | 84.2 | Confident | 80.5 | Confident | 55 Ų | 55 | 116 Ų | 116 | 28% | 0.282 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 177.5 | -68.1 | 167.3 | 0 | 0 | 0 | 110.7 | E54 Y55 R60 S61 Q62 | E54-I58 HydrophobicContact CG-CD1 3.96Å; E54-I58 WeakPolarHBondContact O-CG1 3.35Å; E54-I58 PolarHBondContact O-N 2.83Å; Y55-I58 PolarHBondContact O-N 2.87Å; I58-R60 VanDerWaalsContact C-N 3.3Å; I58-R60 PolarHBondContact O-N 2.9Å; I58-S61 PolarHBondContact O-N 3.21Å; I58-S61 PolarHBondContact O-OG 3.33Å; I58-Q62 HydrophobicContact CG2-CG 4.31Å; I58-Q62 VanDerWaalsContact CG2-NE2 3.28Å; I58-Q62 WeakPolarHBondContact O-CB 3.31Å; I58-Q62 WeakPolarHBondContact O-CG 3.44Å; I58-Q62 PolarHBondContact O-N 3.36Å |
| 59 | Q | 83.2 | Confident | 81.5 | Confident | 86 Ų | 86 | 111.2 Ų | 111.2 | 40% | 0.402 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 177.6 | -75.2 | -71.4 | -47.6 | 0 | 0 | 112.1 | Y55 I56 K63 | Y55-Q59 HydrophobicContact CD1-CG 4.05Å; Y55-Q59 HydrophobicContact CE1-CG 3.6Å; Y55-Q59 HydrophobicContact CE2-CG 4.36Å; Y55-Q59 WeakPolarHBondContact O-CB 3.33Å; Y55-Q59 WeakPolarHBondContact O-CG 3.25Å; Y55-Q59 PolarHBondContact O-N 2.96Å; I56-Q59 PolarHBondContact O-N 3.48Å; Q59-K63 WeakPolarHBondContact O-CB 3.36Å; Q59-K63 PolarHBondContact O-N 3.08Å; Q59-K63 VanDerWaalsContact O-N 3.08Å |
| 60 | R | 87.8 | Confident | 82.6 | Confident | 177 Ų | 177 | 107.7 Ų | 107.7 | 67% | 0.668 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.1 | -46.7 | 175.8 | -74.9 | 177.7 | -179 | -176.2 | 1.4 | 112.1 | I56 R57 I58 K63 I64 | I56-R60 WeakPolarHBondContact O-CG 3.4Å; I56-R60 PolarHBondContact O-N 3.28Å; R57-R60 PolarHBondContact O-N 3.17Å; I58-R60 VanDerWaalsContact C-N 3.3Å; I58-R60 PolarHBondContact O-N 2.9Å; R60-K63 PolarHBondContact O-N 3.41Å; R60-I64 WeakPolarHBondContact O-CG1 3.49Å; R60-I64 PolarHBondContact O-N 2.83Å; R60-I64 VanDerWaalsContact O-N 3.08Å |
| 61 | S | 86.1 | Confident | 83.4 | Confident | 49 Ų | 49 | 102.9 Ų | 102.9 | 34% | 0.343 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 179.4 | 61.9 | 0 | 0 | 0 | 0 | 111.8 | R57 I58 K63 I64 H65 | R57-S61 PolarHBondContact O-N 3.2Å; R57-S61 PolarHBondContact O-OG 2.95Å; I58-S61 PolarHBondContact O-N 3.21Å; I58-S61 PolarHBondContact O-OG 3.33Å; S61-K63 VanDerWaalsContact C-N 3.32Å; S61-K63 PolarHBondContact O-N 3.37Å; S61-I64 PolarHBondContact O-N 3.5Å; S61-H65 PolarHBondContact O-N 3.21Å |
| 62 | Q | 85.3 | Confident | 84.1 | Confident | 52 Ų | 52 | 102.4 Ų | 102.4 | 24% | 0.243 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 174.4 | -73.7 | 173.8 | -4.7 | 0 | 0 | 111.8 | I58 I64 H65 K66 H88 | I58-Q62 HydrophobicContact CG2-CG 4.31Å; I58-Q62 VanDerWaalsContact CG2-NE2 3.28Å; I58-Q62 WeakPolarHBondContact O-CB 3.31Å; I58-Q62 WeakPolarHBondContact O-CG 3.44Å; I58-Q62 PolarHBondContact O-N 3.36Å; Q62-I64 PolarHBondContact O-N 3.44Å; Q62-H65 PolarHBondContact O-N 3Å; Q62-K66 WeakPolarHBondContact O-CB 3.37Å; Q62-K66 PolarHBondContact O-N 2.95Å; Q62-H88 VanDerWaalsContact CD-ND1 3.34Å; Q62-H88 PolarHBondContact NE2-CE1 3.45Å; Q62-H88 VanDerWaalsContact NE2-CE1 3.3Å; Q62-H88 PolarHBondContact NE2-ND1 3.09Å |
| 63 | K | 88 | Confident | 84.5 | Confident | 154 Ų | 154 | 105.3 Ų | 105.3 | 67% | 0.67 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61 | -44.7 | 176.4 | -174.6 | 178.4 | 178.5 | -177.6 | 0 | 112.1 | Q59 R60 S61 K66 Q67 | Q59-K63 WeakPolarHBondContact O-CB 3.36Å; Q59-K63 PolarHBondContact O-N 3.08Å; Q59-K63 VanDerWaalsContact O-N 3.08Å; R60-K63 PolarHBondContact O-N 3.41Å; S61-K63 VanDerWaalsContact C-N 3.32Å; S61-K63 PolarHBondContact O-N 3.37Å; K63-K66 PolarHBondContact O-N 2.9Å; K63-Q67 PolarHBondContact O-N 3.19Å |
| 64 | I | 86.6 | Confident | 84.4 | Confident | 93 Ų | 93 | 99.3 Ų | 99.3 | 48% | 0.477 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 179.1 | -66.7 | 166 | 0 | 0 | 0 | 110.6 | R60 S61 Q62 K66 Q67 Q68 | R60-I64 WeakPolarHBondContact O-CG1 3.49Å; R60-I64 PolarHBondContact O-N 2.83Å; R60-I64 VanDerWaalsContact O-N 3.08Å; S61-I64 PolarHBondContact O-N 3.5Å; Q62-I64 PolarHBondContact O-N 3.44Å; I64-K66 VanDerWaalsContact C-N 3.34Å; I64-K66 PolarHBondContact O-N 3.15Å; I64-Q67 PolarHBondContact O-N 3.49Å; I64-Q68 WeakPolarHBondContact O-CG 3.28Å; I64-Q68 PolarHBondContact O-N 3.08Å |
| 65 | H | 84.5 | Confident | 84.4 | Confident | 109 Ų | 109 | 100.1 Ų | 100.1 | 51% | 0.505 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 178.3 | -70.2 | 175 | 0 | 0 | 0 | 112 | S61 Q62 Q67 Q68 I69 | S61-H65 PolarHBondContact O-N 3.21Å; Q62-H65 PolarHBondContact O-N 3Å; H65-Q67 VanDerWaalsContact C-N 3.31Å; H65-Q67 PolarHBondContact O-N 2.65Å; H65-Q68 PolarHBondContact O-N 3.09Å; H65-I69 VanDerWaalsContact O-CG1 3.29Å; H65-I69 WeakPolarHBondContact O-CG1 2.9Å; H65-I69 PolarHBondContact O-N 3.29Å |
| 66 | K | 83.3 | Confident | 84.5 | Confident | 93 Ų | 93 | 103 Ų | 103 | 40% | 0.404 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.8 | -46.2 | 174.8 | -178.9 | 177.8 | -177.3 | 158.2 | 0 | 111.1 | Q62 K63 I64 Q68 I69 V70 E82 | Q62-K66 WeakPolarHBondContact O-CB 3.37Å; Q62-K66 PolarHBondContact O-N 2.95Å; K63-K66 PolarHBondContact O-N 2.9Å; I64-K66 VanDerWaalsContact C-N 3.34Å; I64-K66 PolarHBondContact O-N 3.15Å; K66-Q68 PolarHBondContact O-N 3.04Å; K66-I69 PolarHBondContact O-N 3.27Å; K66-V70 VanDerWaalsContact O-CG2 3.31Å; K66-V70 WeakPolarHBondContact O-CG2 3.37Å; K66-V70 PolarHBondContact O-N 3.5Å; K66-E82 WeakPolarHBondContact CD-OE1 3.2Å; K66-E82 WeakPolarHBondContact CE-OE1 3.5Å; K66-E82 IonicContact NZ-OE1 2.65Å; K66-E82 PolarHBondContact NZ-OE1 2.76Å; K66-E82 IonicContact NZ-OE2 2.85Å; K66-E82 PolarHBondContact NZ-OE2 3.1Å |
| 67 | Q | 85.1 | Confident | 84.3 | Confident | 105 Ų | 105 | 104.3 Ų | 104.3 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 178.9 | -174.4 | 169.2 | -5.2 | 0 | 0 | 111.8 | K63 I64 H65 I69 V70 E71 | K63-Q67 PolarHBondContact O-N 3.19Å; I64-Q67 PolarHBondContact O-N 3.49Å; H65-Q67 VanDerWaalsContact C-N 3.31Å; H65-Q67 PolarHBondContact O-N 2.65Å; Q67-I69 VanDerWaalsContact C-N 3.34Å; Q67-I69 PolarHBondContact O-N 3.26Å; Q67-V70 PolarHBondContact O-N 3.4Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.17Å; Q67-E71 PolarHBondContact NE2-OE1 3.46Å; Q67-E71 WeakPolarHBondContact O-CB 3.31Å; Q67-E71 WeakPolarHBondContact O-CG 3.26Å; Q67-E71 PolarHBondContact O-N 2.93Å |
| 68 | Q | 84.8 | Confident | 84 | Confident | 107 Ų | 107 | 96.5 Ų | 96.5 | 50% | 0.5 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 175.4 | -70.9 | 175.4 | -24.2 | 0 | 0 | 112.9 | I64 H65 K66 K72 | I64-Q68 WeakPolarHBondContact O-CG 3.28Å; I64-Q68 PolarHBondContact O-N 3.08Å; H65-Q68 PolarHBondContact O-N 3.09Å; K66-Q68 PolarHBondContact O-N 3.04Å; Q68-K72 VanDerWaalsContact O-CB 3.29Å; Q68-K72 WeakPolarHBondContact O-CB 3.48Å; Q68-K72 PolarHBondContact O-N 2.75Å |
| 69 | I | 80.3 | Confident | 83.8 | Confident | 58 Ų | 58 | 99.2 Ų | 99.2 | 30% | 0.297 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 176 | -67.7 | 165.7 | 0 | 0 | 0 | 110.2 | H65 K66 Q67 K72 Y73 F77 A78 | H65-I69 VanDerWaalsContact O-CG1 3.29Å; H65-I69 WeakPolarHBondContact O-CG1 2.9Å; H65-I69 PolarHBondContact O-N 3.29Å; K66-I69 PolarHBondContact O-N 3.27Å; Q67-I69 VanDerWaalsContact C-N 3.34Å; Q67-I69 PolarHBondContact O-N 3.26Å; I69-K72 PolarHBondContact O-N 3.49Å; I69-Y73 HydrophobicContact CG2-CD2 4.11Å; I69-Y73 PolarHBondContact O-N 3.48Å; I69-F77 HydrophobicContact CG2-CD1 4.11Å; I69-F77 HydrophobicContact CG2-CE1 4.4Å; I69-A78 HydrophobicContact CG2-CB 3.94Å |
| 70 | V | 82.8 | Confident | 83.6 | Confident | 40 Ų | 40 | 98 Ų | 98 | 24% | 0.242 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 177.2 | 170.4 | 0 | 0 | 0 | 0 | 111 | K66 Q67 K72 G74 E75 A78 | K66-V70 VanDerWaalsContact O-CG2 3.31Å; K66-V70 WeakPolarHBondContact O-CG2 3.37Å; K66-V70 PolarHBondContact O-N 3.5Å; Q67-V70 PolarHBondContact O-N 3.4Å; V70-K72 VanDerWaalsContact C-N 3.34Å; V70-K72 PolarHBondContact O-N 3.29Å; V70-G74 CarbonylContact O-C 3.43Å; V70-G74 WeakPolarHBondContact O-CA 3.37Å; V70-G74 PolarHBondContact O-N 3.42Å; V70-E75 HydrophobicContact CG1-CG 3.65Å; V70-A78 HydrophobicContact CG2-CB 3.45Å; V70-A78 VanDerWaalsContact CG2-CB 3.45Å |
| 71 | E | 83.5 | Confident | 82.9 | Confident | 140 Ų | 140 | 91.5 Ų | 91.5 | 65% | 0.654 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | 178 | -75 | 171.5 | -168.8 | 0 | 0 | 112.2 | Q67 | Q67-E71 WeakPolarHBondContact CG-OE1 3.17Å; Q67-E71 PolarHBondContact NE2-OE1 3.46Å; Q67-E71 WeakPolarHBondContact O-CB 3.31Å; Q67-E71 WeakPolarHBondContact O-CG 3.26Å; Q67-E71 PolarHBondContact O-N 2.93Å |
| 72 | K | 86.7 | Confident | 82.2 | Confident | 153 Ų | 153 | 93 Ų | 93 | 67% | 0.665 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -82.5 | -37.7 | -175.3 | -171.8 | 172.6 | -179.7 | -176.1 | 0 | 114.2 | Q68 I69 V70 | Q68-K72 VanDerWaalsContact O-CB 3.29Å; Q68-K72 WeakPolarHBondContact O-CB 3.48Å; Q68-K72 PolarHBondContact O-N 2.75Å; I69-K72 PolarHBondContact O-N 3.49Å; V70-K72 VanDerWaalsContact C-N 3.34Å; V70-K72 PolarHBondContact O-N 3.29Å |
| 73 | Y | 85.6 | Confident | 81.5 | Confident | 124 Ų | 124 | 97.8 Ų | 97.8 | 49% | 0.486 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -120.7 | -3.8 | -170.6 | -56.9 | -74.1 | 0 | 0 | 0 | 113.9 | I69 F77 | I69-Y73 HydrophobicContact CG2-CD2 4.11Å; I69-Y73 PolarHBondContact O-N 3.48Å; Y73-F77 HydrophobicContact CD1-CD1 4.47Å; Y73-F77 HydrophobicContact CD1-CE1 4.4Å; Y73-F77 AromaticContact CD2-CD1 3.91Å; Y73-F77 HydrophobicContact CD2-CD1 3.91Å; Y73-F77 AromaticContact CD2-CE1 3.83Å; Y73-F77 HydrophobicContact CD2-CE1 3.83Å; Y73-F77 HydrophobicContact CE2-CE1 4.37Å; Y73-F77 AromaticContact CG-CD1 3.67Å; Y73-F77 HydrophobicContact CG-CD1 3.67Å; Y73-F77 AromaticContact CG-CE1 3.83Å; Y73-F77 HydrophobicContact CG-CE1 3.83Å; Y73-F77 HydrophobicContact CG-CG 4.29Å; Y73-F77 WeakPolarHBondContact O-CB 3.43Å |
| 74 | G | 82.2 | Confident | 80.4 | Confident | 33 Ų | 33 | 98.5 Ų | 98.5 | 34% | 0.34 | 47% | 0.469 | S | S | . | . | trans | 82.8 | 159.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V70 H76 F77 A78 | V70-G74 CarbonylContact O-C 3.43Å; V70-G74 WeakPolarHBondContact O-CA 3.37Å; V70-G74 PolarHBondContact O-N 3.42Å; G74-H76 VanDerWaalsContact C-N 3.31Å; G74-H76 PolarHBondContact O-N 3.15Å; G74-F77 PolarHBondContact O-N 2.67Å; G74-A78 PolarHBondContact O-N 2.76Å | ||
| 75 | E | 84.9 | Confident | 79 | Confident | 145 Ų | 145 | 98.2 Ų | 98.2 | 68% | 0.678 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.6 | -38.6 | -176.8 | -66.5 | -177.4 | 168.1 | 0 | 0 | 113.1 | V70 F77 A78 M79 | V70-E75 HydrophobicContact CG1-CG 3.65Å; E75-F77 VanDerWaalsContact C-N 3.34Å; E75-F77 PolarHBondContact O-N 3.41Å; E75-A78 PolarHBondContact O-N 2.92Å; E75-M79 PolarHBondContact O-N 2.85Å |
| 76 | H | 82.2 | Confident | 77.4 | Confident | 155 Ų | 155 | 98.7 Ų | 98.7 | 72% | 0.718 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | -178.6 | -175.5 | -95.4 | 0 | 0 | 0 | 111.7 | G74 V80 | G74-H76 VanDerWaalsContact C-N 3.31Å; G74-H76 PolarHBondContact O-N 3.15Å; H76-V80 WeakPolarHBondContact O-CG2 3.49Å; H76-V80 PolarHBondContact O-N 3.49Å |
| 77 | F | 79.1 | Confident | 75.7 | Confident | 94 Ų | 94 | 102.8 Ų | 102.8 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 176 | -177.6 | -95.3 | 0 | 0 | 0 | 111.2 | I69 Y73 G74 E75 M79 V80 V81 | I69-F77 HydrophobicContact CG2-CD1 4.11Å; I69-F77 HydrophobicContact CG2-CE1 4.4Å; Y73-F77 HydrophobicContact CD1-CD1 4.47Å; Y73-F77 HydrophobicContact CD1-CE1 4.4Å; Y73-F77 AromaticContact CD2-CD1 3.91Å; Y73-F77 HydrophobicContact CD2-CD1 3.91Å; Y73-F77 AromaticContact CD2-CE1 3.83Å; Y73-F77 HydrophobicContact CD2-CE1 3.83Å; Y73-F77 HydrophobicContact CE2-CE1 4.37Å; Y73-F77 AromaticContact CG-CD1 3.67Å; Y73-F77 HydrophobicContact CG-CD1 3.67Å; Y73-F77 AromaticContact CG-CE1 3.83Å; Y73-F77 HydrophobicContact CG-CE1 3.83Å; Y73-F77 HydrophobicContact CG-CG 4.29Å; Y73-F77 WeakPolarHBondContact O-CB 3.43Å; G74-F77 PolarHBondContact O-N 2.67Å; E75-F77 VanDerWaalsContact C-N 3.34Å; E75-F77 PolarHBondContact O-N 3.41Å; F77-M79 VanDerWaalsContact C-N 3.33Å; F77-M79 PolarHBondContact O-N 2.56Å; F77-V80 PolarHBondContact O-N 2.97Å; F77-V80 VanDerWaalsContact O-N 3.14Å; F77-V81 HydrophobicContact CD1-CG2 3.95Å; F77-V81 HydrophobicContact CE1-CG2 3.55Å; F77-V81 HydrophobicContact CE2-CG2 4.41Å; F77-V81 HydrophobicContact CZ-CG2 3.81Å; F77-V81 WeakPolarHBondContact O-CG2 3.03Å; F77-V81 PolarHBondContact O-N 3.23Å |
| 78 | A | 78 | Confident | 73.7 | Confident | 5 Ų | 5 | 103.3 Ų | 103.3 | 4% | 0.041 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I69 V70 G74 E75 V80 V81 E82 | I69-A78 HydrophobicContact CG2-CB 3.94Å; V70-A78 HydrophobicContact CG2-CB 3.45Å; V70-A78 VanDerWaalsContact CG2-CB 3.45Å; G74-A78 PolarHBondContact O-N 2.76Å; E75-A78 PolarHBondContact O-N 2.92Å; A78-V80 PolarHBondContact O-N 3.35Å; A78-V81 PolarHBondContact O-N 3.25Å; A78-E82 WeakPolarHBondContact O-CG 3.45Å; A78-E82 PolarHBondContact O-N 3.19Å |
| 79 | M | 80.2 | Confident | 71.7 | Confident | 111 Ų | 111 | 105.3 Ų | 105.3 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 176.5 | -77.8 | -168.2 | 72.6 | 0 | 0 | 113.4 | E75 F77 K83 | E75-M79 PolarHBondContact O-N 2.85Å; F77-M79 VanDerWaalsContact C-N 3.33Å; F77-M79 PolarHBondContact O-N 2.56Å; M79-K83 WeakPolarHBondContact O-CG 3.45Å; M79-K83 PolarHBondContact O-N 3.4Å; M79-K83 VanDerWaalsContact O-N 3.07Å |
| 80 | V | 79.7 | Confident | 69.6 | Low | 62 Ų | 62 | 110.2 Ų | 110.2 | 38% | 0.376 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 177.6 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | H76 F77 A78 K83 K84 | H76-V80 WeakPolarHBondContact O-CG2 3.49Å; H76-V80 PolarHBondContact O-N 3.49Å; F77-V80 PolarHBondContact O-N 2.97Å; F77-V80 VanDerWaalsContact O-N 3.14Å; A78-V80 PolarHBondContact O-N 3.35Å; V80-K83 PolarHBondContact O-N 3.21Å; V80-K84 PolarHBondContact O-N 3.42Å; V80-K84 VanDerWaalsContact O-N 3.14Å |
| 81 | V | 73.1 | Confident | 67.6 | Low | 40 Ų | 40 | 113.9 Ų | 113.9 | 24% | 0.242 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -63.6 | -47 | 174.8 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | F77 A78 K83 K84 D85 | F77-V81 HydrophobicContact CD1-CG2 3.95Å; F77-V81 HydrophobicContact CE1-CG2 3.55Å; F77-V81 HydrophobicContact CE2-CG2 4.41Å; F77-V81 HydrophobicContact CZ-CG2 3.81Å; F77-V81 WeakPolarHBondContact O-CG2 3.03Å; F77-V81 PolarHBondContact O-N 3.23Å; A78-V81 PolarHBondContact O-N 3.25Å; V81-K83 VanDerWaalsContact C-N 3.28Å; V81-K83 PolarHBondContact O-N 2.75Å; V81-K84 PolarHBondContact O-N 3.09Å; V81-K84 VanDerWaalsContact O-N 3.08Å; V81-D85 WeakPolarHBondContact CG1-OD2 3.34Å; V81-D85 WeakPolarHBondContact O-CB 3.31Å; V81-D85 PolarHBondContact O-N 3.33Å |
| 82 | E | 70.5 | Confident | 65.3 | Low | 79 Ų | 79 | 114.7 Ų | 114.7 | 37% | 0.369 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.7 | -36.3 | 177 | -75 | -168.6 | 143.6 | 0 | 0 | 113.3 | K66 A78 | K66-E82 WeakPolarHBondContact CD-OE1 3.2Å; K66-E82 WeakPolarHBondContact CE-OE1 3.5Å; K66-E82 IonicContact NZ-OE1 2.65Å; K66-E82 PolarHBondContact NZ-OE1 2.76Å; K66-E82 IonicContact NZ-OE2 2.85Å; K66-E82 PolarHBondContact NZ-OE2 3.1Å; A78-E82 WeakPolarHBondContact O-CG 3.45Å; A78-E82 PolarHBondContact O-N 3.19Å |
| 83 | K | 71.1 | Confident | 63 | Low | 154 Ų | 154 | 118 Ų | 118 | 67% | 0.67 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.2 | -33.1 | 176 | -77.4 | -178.5 | -179.2 | -179.1 | 0 | 113 | M79 V80 V81 | M79-K83 WeakPolarHBondContact O-CG 3.45Å; M79-K83 PolarHBondContact O-N 3.4Å; M79-K83 VanDerWaalsContact O-N 3.07Å; V80-K83 PolarHBondContact O-N 3.21Å; V81-K83 VanDerWaalsContact C-N 3.28Å; V81-K83 PolarHBondContact O-N 2.75Å |
| 84 | K | 64.6 | Low | 61.8 | Low | 168 Ų | 168 | 117.7 Ų | 117.7 | 73% | 0.73 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -79.4 | -45.6 | 177.6 | -79.1 | -175.7 | 174.8 | -177.9 | 0 | 111.4 | V80 V81 N86 | V80-K84 PolarHBondContact O-N 3.42Å; V80-K84 VanDerWaalsContact O-N 3.14Å; V81-K84 PolarHBondContact O-N 3.09Å; V81-K84 VanDerWaalsContact O-N 3.08Å; K84-N86 VanDerWaalsContact C-N 3.31Å; K84-N86 PolarHBondContact O-N 3.42Å; K84-N86 VanDerWaalsContact O-N 3.11Å |
| 85 | D | 56.9 | Low | 60.8 | Low | 87 Ų | 87 | 122.2 Ų | 122.2 | 47% | 0.465 | 59% | 0.591 | S | S | . | * | trans | -89.9 | 66.2 | -177.1 | -67.3 | -25.5 | 0 | 0 | 0 | 111 | V81 Y87 | V81-D85 WeakPolarHBondContact CG1-OD2 3.34Å; V81-D85 WeakPolarHBondContact O-CB 3.31Å; V81-D85 PolarHBondContact O-N 3.33Å; D85-Y87 PolarHBondContact O-N 2.84Å | ||
| 86 | N | 51.9 | Low | 59.4 | Low | 120 Ų | 120 | 120.9 Ų | 120.9 | 64% | 0.642 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -61.7 | 33.3 | 162.7 | -93.6 | -39.9 | 0 | 0 | 0 | 113.1 | K84 | K84-N86 VanDerWaalsContact C-N 3.31Å; K84-N86 PolarHBondContact O-N 3.42Å; K84-N86 VanDerWaalsContact O-N 3.11Å |
| 87 | Y | 45.6 | Very low | 58.1 | Low | 178 Ų | 178 | 118.9 Ų | 118.9 | 70% | 0.698 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -76.6 | -19 | 178 | -101.5 | -84.7 | 0 | 0 | 0 | 113.5 | D85 L89 K90 | D85-Y87 PolarHBondContact O-N 2.84Å; Y87-L89 PolarHBondContact O-N 3.04Å; Y87-L89 VanDerWaalsContact O-N 3.16Å; Y87-K90 PolarHBondContact O-N 3.17Å |
| 88 | H | 43.9 | Very low | 56.8 | Low | 116 Ų | 116 | 120.4 Ų | 120.4 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -68.8 | -11.3 | 177.6 | -65.1 | -51.8 | 0 | 0 | 0 | 114 | Q62 | Q62-H88 VanDerWaalsContact CD-ND1 3.34Å; Q62-H88 PolarHBondContact NE2-CE1 3.45Å; Q62-H88 VanDerWaalsContact NE2-CE1 3.3Å; Q62-H88 PolarHBondContact NE2-ND1 3.09Å |
| 89 | L | 42.4 | Very low | 55.4 | Low | 150 Ų | 150 | 128.1 Ų | 128.1 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -104.5 | 6 | -179.8 | -104.2 | 133.2 | 0 | 0 | 0 | 115 | Y87 | Y87-L89 PolarHBondContact O-N 3.04Å; Y87-L89 VanDerWaalsContact O-N 3.16Å |
| 90 | K | 37.1 | Very low | 53.6 | Low | 160 Ų | 160 | 129.4 Ų | 129.4 | 70% | 0.696 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -100.4 | 0.7 | 176.5 | -115.6 | -179.1 | -178.3 | -178.4 | 0 | 115.5 | Y87 N92 | Y87-K90 PolarHBondContact O-N 3.17Å; K90-N92 VanDerWaalsContact C-N 3.34Å; K90-N92 PolarHBondContact O-N 3.36Å |
| 91 | I | 40.4 | Very low | 51.6 | Low | 118 Ų | 118 | 134.5 Ų | 134.5 | 61% | 0.605 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 75.9 | 165.8 | -49 | 174 | 0 | 0 | 0 | 106.4 | ||
| 92 | N | 35.5 | Very low | 49.8 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163.2 | 36 | 161.6 | -81.8 | -6.8 | 0 | 0 | 0 | 111.2 | K90 | K90-N92 VanDerWaalsContact C-N 3.34Å; K90-N92 PolarHBondContact O-N 3.36Å |
| 93 | N | 37.4 | Very low | 47.9 | Very low | 222 Ų | 222 | 148.2 Ų | 148.2 | 100% | 1.187 | 71% | 0.714 | S | S | * | * | trans | -112.9 | 0 | 152.9 | -99.7 | -7.8 | 0 | 0 | 0 | 107.6 |
Retrieved 93 of 93 residues in 52.1 ms
(Link to these results)