| 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 | 31.5 | Very low | 43.6 | Very low | 237 Ų | 237 | 117.3 Ų | 117.3 | 100% | 1.167 | 68% | 0.681 | S | S | * | * | 0 | 124.6 | 0 | -78.2 | 169.9 | 155.2 | 0 | 0 | 105.8 | S3 | M1-S3 PolarHBondContact O-N 3.24Å; M1-S3 VanDerWaalsContact O-N 3.07Å | |||
| 2 | L | 35.8 | Very low | 43.5 | Very low | 165 Ų | 165 | 128.3 Ų | 128.3 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | -61.4 | 107 | -169.6 | -110.1 | 71.7 | 0 | 0 | 0 | 110.8 | G4 | L2-G4 PolarHBondContact O-N 3.44Š| ||
| 3 | S | 41.7 | Very low | 43.3 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | trans | -77 | 62.3 | 164 | -50.7 | 0 | 0 | 0 | 0 | 109 | M1 | M1-S3 PolarHBondContact O-N 3.24Å; M1-S3 VanDerWaalsContact O-N 3.07Å | ||
| 4 | G | 41.2 | Very low | 43.5 | Very low | 50 Ų | 50 | 128.2 Ų | 128.2 | 52% | 0.515 | 69% | 0.688 | S | S | . | * | trans | -111.9 | 111.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L2 L6 | L2-G4 PolarHBondContact O-N 3.44Å; G4-L6 PolarHBondContact O-N 2.85Å | ||
| 5 | C | 48.8 | Very low | 43.8 | Very low | 56 Ų | 56 | 126.7 Ų | 126.7 | 38% | 0.378 | 68% | 0.678 | S | S | . | * | trans | -59.9 | 121.5 | 165.8 | -71.9 | 0 | 0 | 0 | 0 | 108.1 | V7 C16 | C5-V7 PolarHBondContact O-N 3.14Å; C5-C16 VanDerWaalsContact SG-CB 3.59Å | ||
| 6 | L | 45.7 | Very low | 44.4 | Very low | 139 Ų | 139 | 120.7 Ų | 120.7 | 73% | 0.728 | 65% | 0.648 | S | S | * | * | trans | -64.7 | 102.4 | 169.3 | -81.1 | 156.2 | 0 | 0 | 0 | 107.5 | G4 N8 | G4-L6 PolarHBondContact O-N 2.85Å; L6-N8 PolarHBondContact O-N 3.09Å | ||
| 7 | V | 47.3 | Very low | 44.8 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 72% | 0.721 | 65% | 0.647 | S | S | * | * | trans | -63.7 | 98.7 | 177 | 176.9 | 0 | 0 | 0 | 0 | 108 | C5 | C5-V7 PolarHBondContact O-N 3.14Š| ||
| 8 | N | 44.9 | Very low | 45.2 | Very low | 123 Ų | 123 | 116.1 Ų | 116.1 | 66% | 0.658 | 62% | 0.62 | S | S | * | * | trans | -85.8 | 117.5 | 159.2 | -164.2 | 19.1 | 0 | 0 | 0 | 107.6 | L6 S10 | L6-N8 PolarHBondContact O-N 3.09Å; N8-S10 PolarHBondContact O-N 3.11Å | ||
| 9 | N | 47 | Very low | 45.8 | Very low | 143 Ų | 143 | 115.4 Ų | 115.4 | 77% | 0.765 | 63% | 0.626 | S | S | * | * | trans | -77.4 | 25.8 | -161.7 | -124.9 | 11.1 | 0 | 0 | 0 | 114.5 | V11 | N9-V11 PolarHBondContact O-N 3.48Š| ||
| 10 | S | 49 | Very low | 46 | Very low | 47 Ų | 47 | 114.3 Ų | 114.3 | 33% | 0.329 | 62% | 0.619 | S | S | . | * | trans | -83.4 | 107.2 | 165.9 | 44.2 | 0 | 0 | 0 | 0 | 108.1 | N8 W12 E13 | N8-S10 PolarHBondContact O-N 3.11Å; S10-W12 PolarHBondContact O-N 3.11Å; S10-E13 PolarHBondContact O-N 3.26Å | ||
| 11 | V | 47 | Very low | 46.4 | Very low | 119 Ų | 119 | 116.7 Ų | 116.7 | 72% | 0.721 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.9 | -15.8 | -176.3 | 172.5 | 0 | 0 | 0 | 0 | 116.4 | N9 | N9-V11 PolarHBondContact O-N 3.48Š|
| 12 | W | 42.5 | Very low | 47.6 | Very low | 250 Ų | 250 | 111.3 Ų | 111.3 | 95% | 0.947 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 0.2 | -177.8 | -61.1 | 92.9 | 0 | 0 | 0 | 114.3 | S10 | S10-W12 PolarHBondContact O-N 3.11Š|
| 13 | E | 40.3 | Very low | 48.4 | Very low | 117 Ų | 117 | 104.3 Ų | 104.3 | 55% | 0.547 | 56% | 0.564 | S | S | . | * | trans | -129.1 | 46.8 | -173.5 | -150.9 | 165.1 | -173.8 | 0 | 0 | 110.4 | S10 I15 | S10-E13 PolarHBondContact O-N 3.26Å; E13-I15 HydrophobicContact CG-CD1 3.61Å; E13-I15 HydrophobicContact CG-CG1 3.87Å; E13-I15 PolarHBondContact O-N 2.75Å | ||
| 14 | E | 45.7 | Very low | 49 | Very low | 138 Ų | 138 | 105.8 Ų | 105.8 | 65% | 0.645 | 56% | 0.561 | S | S | * | * | trans | -68.5 | 63.2 | 161.7 | -63.8 | -175.2 | 174.9 | 0 | 0 | 109.3 | C16 | E14-C16 VanDerWaalsContact C-N 3.34Å; E14-C16 PolarHBondContact O-N 3.11Å | ||
| 15 | I | 49.1 | Very low | 50.1 | Low | 106 Ų | 106 | 110.5 Ų | 110.5 | 54% | 0.544 | 57% | 0.57 | S | S | . | * | trans | -74 | 97.3 | 166.6 | -59.3 | 170.6 | 0 | 0 | 0 | 104.8 | E13 E17 | E13-I15 HydrophobicContact CG-CD1 3.61Å; E13-I15 HydrophobicContact CG-CG1 3.87Å; E13-I15 PolarHBondContact O-N 2.75Å; I15-E17 PolarHBondContact O-N 3Å | ||
| 16 | C | 52.3 | Low | 50.7 | Low | 30 Ų | 30 | 110.6 Ų | 110.6 | 20% | 0.203 | 57% | 0.565 | C | S | . | * | trans | -53.5 | 108.6 | 170.5 | -68.9 | 0 | 0 | 0 | 0 | 108.7 | C5 E14 C18 | C5-C16 VanDerWaalsContact SG-CB 3.59Å; E14-C16 VanDerWaalsContact C-N 3.34Å; E14-C16 PolarHBondContact O-N 3.11Å; C16-C18 PolarHBondContact O-N 3.22Å | ||
| 17 | E | 51.3 | Low | 51.7 | Low | 133 Ų | 133 | 106.5 Ų | 106.5 | 62% | 0.621 | 54% | 0.544 | S | S | * | . | trans | -70.9 | 86.5 | 164.6 | -171 | 175.5 | -169.7 | 0 | 0 | 106.6 | I15 S19 | I15-E17 PolarHBondContact O-N 3Å; E17-S19 PolarHBondContact O-N 3.48Å | ||
| 18 | C | 52.1 | Low | 52.7 | Low | 25 Ų | 25 | 108 Ų | 108 | 17% | 0.169 | 54% | 0.537 | C | S | . | . | trans | -70.6 | 106.5 | 178.3 | -79.6 | 0 | 0 | 0 | 0 | 109.7 | C16 N20 C23 | C16-C18 PolarHBondContact O-N 3.22Å; C18-N20 PolarHBondContact O-N 3.34Å; C18-C23 HydrophobicContact CB-CB 2.88Å; C18-C23 WeakPolarHBondContact CB-SG 3.4Å; C18-C23 WeakPolarHBondContact SG-CB 3.22Å; C18-C23 CovalentContact SG-SG 2.04Å; C18-C23 PolarHBondContact SG-SG 3.36Å | ||
| 19 | S | 56.4 | Low | 53.7 | Low | 103 Ų | 103 | 108.8 Ų | 108.8 | 72% | 0.72 | 53% | 0.532 | S | S | * | . | trans | -68.9 | -6.4 | 170.1 | 178.5 | 0 | 0 | 0 | 0 | 113.4 | E17 | E17-S19 PolarHBondContact O-N 3.48Š| ||
| 20 | N | 50.7 | Low | 54.8 | Low | 94 Ų | 94 | 103.6 Ų | 103.6 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -100 | 134.2 | -179.3 | -162.9 | 10.1 | 0 | 0 | 0 | 111.3 | C18 D22 C23 | C18-N20 PolarHBondContact O-N 3.34Å; N20-D22 PolarHBondContact ND2-OD2 3.43Å; N20-D22 PolarHBondContact O-N 3.34Å; N20-C23 PolarHBondContact O-N 2.89Å |
| 21 | K | 54.7 | Low | 56.1 | Low | 165 Ų | 165 | 109.4 Ų | 109.4 | 72% | 0.717 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -53.2 | -28.5 | -173.9 | -70 | 176.3 | 177.4 | 165.8 | 0 | 113.5 | C23 E24 | K21-C23 VanDerWaalsContact C-N 3.33Å; K21-C23 PolarHBondContact O-N 2.97Å; K21-E24 PolarHBondContact O-N 2.97Å |
| 22 | D | 55.3 | Low | 57.3 | Low | 123 Ų | 123 | 111 Ų | 111 | 66% | 0.658 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -37.4 | -179.9 | -59.9 | -37.4 | 0 | 0 | 0 | 112.4 | N20 | N20-D22 PolarHBondContact ND2-OD2 3.43Å; N20-D22 PolarHBondContact O-N 3.34Å |
| 23 | C | 52.5 | Low | 58.8 | Low | 18 Ų | 18 | 102.3 Ų | 102.3 | 12% | 0.122 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -81.2 | -33.6 | 178.4 | -65.9 | 0 | 0 | 0 | 0 | 113.5 | C18 N20 K21 H25 M26 L27 | C18-C23 HydrophobicContact CB-CB 2.88Å; C18-C23 WeakPolarHBondContact CB-SG 3.4Å; C18-C23 WeakPolarHBondContact SG-CB 3.22Å; C18-C23 CovalentContact SG-SG 2.04Å; C18-C23 PolarHBondContact SG-SG 3.36Å; N20-C23 PolarHBondContact O-N 2.89Å; K21-C23 VanDerWaalsContact C-N 3.33Å; K21-C23 PolarHBondContact O-N 2.97Å; C23-H25 PolarHBondContact O-N 2.67Å; C23-M26 PolarHBondContact O-N 3.45Å; C23-L27 PolarHBondContact O-N 3.01Å |
| 24 | E | 55.6 | Low | 60.4 | Low | 123 Ų | 123 | 102 Ų | 102 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -54.8 | -44.7 | -179.8 | -72.3 | -174.3 | 159.1 | 0 | 0 | 110 | K21 M26 Y28 | K21-E24 PolarHBondContact O-N 2.97Å; E24-M26 VanDerWaalsContact C-N 3.26Å; E24-M26 PolarHBondContact O-N 3.14Å; E24-Y28 VanDerWaalsContact O-CB 3.29Å; E24-Y28 WeakPolarHBondContact O-CB 3.43Å; E24-Y28 PolarHBondContact O-N 3.06Å |
| 25 | H | 63.6 | Low | 61.8 | Low | 150 Ų | 150 | 100 Ų | 100 | 69% | 0.694 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.2 | -37.9 | 176.8 | -122.7 | -84.6 | 0 | 0 | 0 | 112.3 | C23 Y29 | C23-H25 PolarHBondContact O-N 2.67Å; H25-Y29 WeakPolarHBondContact O-CB 3.41Å; H25-Y29 PolarHBondContact O-N 3.45Å |
| 26 | M | 61.1 | Low | 62.9 | Low | 57 Ų | 57 | 101.2 Ų | 101.2 | 28% | 0.281 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -78.9 | -42.4 | -177.1 | -166.7 | -168.7 | 84.5 | 0 | 0 | 112.7 | C23 E24 Y28 Y29 M30 L96 | C23-M26 PolarHBondContact O-N 3.45Å; E24-M26 VanDerWaalsContact C-N 3.26Å; E24-M26 PolarHBondContact O-N 3.14Å; M26-Y28 VanDerWaalsContact C-N 3.3Å; M26-Y28 PolarHBondContact O-N 3.42Å; M26-Y29 CarbonylContact O-C 3.58Å; M26-Y29 WeakPolarHBondContact O-CB 3.3Å; M26-Y29 PolarHBondContact O-N 3.16Å; M26-Y29 VanDerWaalsContact O-N 3.14Å; M26-M30 HydrophobicContact CE-CE 3.54Å; M26-M30 HydrophobicContact CE-SD 4.22Å; M26-M30 WeakPolarHBondContact O-CG 3.41Å; M26-M30 PolarHBondContact O-N 3.36Å; M26-L96 HydrophobicContact CE-CB 4.49Å; M26-L96 HydrophobicContact CE-CD1 3.6Å; M26-L96 HydrophobicContact SD-CD1 3.43Å; M26-L96 WeakPolarHBondContact SD-CD1 3.43Å; M26-L96 HydrophobicContact SD-CD2 4.09Å; M26-L96 HydrophobicContact SD-CG 4.31Å |
| 27 | L | 67.9 | Low | 63.5 | Low | 53 Ų | 53 | 105.7 Ų | 105.7 | 28% | 0.277 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 173.4 | -79.5 | 168.9 | 0 | 0 | 0 | 110.7 | C23 Y29 M30 R31 | C23-L27 PolarHBondContact O-N 3.01Å; L27-Y29 VanDerWaalsContact C-N 3.33Å; L27-Y29 PolarHBondContact O-N 2.96Å; L27-M30 HydrophobicContact CD2-CE 3.81Å; L27-M30 HydrophobicContact CG-CE 4.46Å; L27-M30 PolarHBondContact O-N 3.17Å; L27-R31 WeakPolarHBondContact O-CG 3.35Å; L27-R31 PolarHBondContact O-N 3.14Å |
| 28 | Y | 66.8 | Low | 64.5 | Low | 150 Ų | 150 | 105.1 Ų | 105.1 | 59% | 0.588 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.8 | -44.1 | 172.4 | 179.5 | -97.4 | 0 | 0 | 0 | 111.8 | E24 M26 R32 | E24-Y28 VanDerWaalsContact O-CB 3.29Å; E24-Y28 WeakPolarHBondContact O-CB 3.43Å; E24-Y28 PolarHBondContact O-N 3.06Å; M26-Y28 VanDerWaalsContact C-N 3.3Å; M26-Y28 PolarHBondContact O-N 3.42Å; Y28-R32 WeakPolarHBondContact O-CB 3.33Å; Y28-R32 PolarHBondContact O-N 3.19Å; Y28-R32 VanDerWaalsContact O-N 3.17Å |
| 29 | Y | 67.3 | Low | 65.4 | Low | 140 Ų | 140 | 107.8 Ų | 107.8 | 55% | 0.549 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -54.3 | 176 | -167.3 | -102.8 | 0 | 0 | 0 | 110.4 | H25 M26 L27 R31 R32 F33 | H25-Y29 WeakPolarHBondContact O-CB 3.41Å; H25-Y29 PolarHBondContact O-N 3.45Å; M26-Y29 CarbonylContact O-C 3.58Å; M26-Y29 WeakPolarHBondContact O-CB 3.3Å; M26-Y29 PolarHBondContact O-N 3.16Å; M26-Y29 VanDerWaalsContact O-N 3.14Å; L27-Y29 VanDerWaalsContact C-N 3.33Å; L27-Y29 PolarHBondContact O-N 2.96Å; Y29-R31 PolarHBondContact O-N 3.25Å; Y29-R32 WeakPolarHBondContact O-CA 3.32Å; Y29-R32 VanDerWaalsContact O-CB 3.29Å; Y29-R32 WeakPolarHBondContact O-CB 3.43Å; Y29-R32 PolarHBondContact O-N 3.05Å; Y29-F33 AromaticContact CD1-CD2 3.49Å; Y29-F33 HydrophobicContact CD1-CD2 3.49Å; Y29-F33 VanDerWaalsContact CD1-CD2 3.49Å; Y29-F33 AromaticContact CD1-CE2 3.17Å; Y29-F33 HydrophobicContact CD1-CE2 3.17Å; Y29-F33 HydrophobicContact CD1-CZ 4.12Å; Y29-F33 HydrophobicContact CD2-CD2 4.44Å; Y29-F33 AromaticContact CD2-CE2 3.52Å; Y29-F33 HydrophobicContact CD2-CE2 3.52Å; Y29-F33 HydrophobicContact CD2-CZ 4.27Å; Y29-F33 AromaticContact CE1-CD2 3.51Å; Y29-F33 HydrophobicContact CE1-CD2 3.51Å; Y29-F33 HydrophobicContact CE1-CE1 4.36Å; Y29-F33 AromaticContact CE1-CE2 2.91Å; Y29-F33 HydrophobicContact CE1-CE2 2.91Å; Y29-F33 AromaticContact CE1-CZ 3.4Å; Y29-F33 HydrophobicContact CE1-CZ 3.4Å; Y29-F33 HydrophobicContact CE2-CD2 4.46Å; Y29-F33 AromaticContact CE2-CE2 3.28Å; Y29-F33 HydrophobicContact CE2-CE2 3.28Å; Y29-F33 AromaticContact CE2-CZ 3.56Å; Y29-F33 HydrophobicContact CE2-CZ 3.56Å; Y29-F33 AromaticContact CG-CD2 3.98Å; Y29-F33 HydrophobicContact CG-CD2 3.98Å; Y29-F33 AromaticContact CG-CE2 3.47Å; Y29-F33 HydrophobicContact CG-CE2 3.47Å; Y29-F33 VanDerWaalsContact CG-CE2 3.47Å; Y29-F33 AromaticContact CZ-CE2 2.96Å; Y29-F33 AromaticContact CZ-CZ 3.06Å; Y29-F33 WeakPolarHBondContact O-CD2 3.32Å; Y29-F33 PolarHBondContact O-N 3.38Å; Y29-F33 WeakPolarHBondContact OH-CZ 3.08Å |
| 30 | M | 70 | Confident | 65.8 | Low | 35 Ų | 35 | 107.2 Ų | 107.2 | 17% | 0.172 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -57.8 | -46.2 | -177.6 | -70.6 | -169.3 | -63.4 | 0 | 0 | 113 | M26 L27 R32 F33 L34 M93 | M26-M30 HydrophobicContact CE-CE 3.54Å; M26-M30 HydrophobicContact CE-SD 4.22Å; M26-M30 WeakPolarHBondContact O-CG 3.41Å; M26-M30 PolarHBondContact O-N 3.36Å; L27-M30 HydrophobicContact CD2-CE 3.81Å; L27-M30 HydrophobicContact CG-CE 4.46Å; L27-M30 PolarHBondContact O-N 3.17Å; M30-R32 VanDerWaalsContact C-N 3.27Å; M30-R32 PolarHBondContact O-N 3.47Å; M30-F33 PolarHBondContact O-N 3.42Å; M30-L34 WeakPolarHBondContact O-CD1 2.94Å; M30-L34 PolarHBondContact O-N 2.94Å; M30-M93 HydrophobicContact CE-CE 3.89Å; M30-M93 HydrophobicContact CE-SD 3.67Å; M30-M93 HydrophobicContact SD-CE 3.9Å; M30-M93 HydrophobicContact SD-CG 4.45Å; M30-M93 HydrophobicContact SD-SD 3.38Å |
| 31 | R | 75.2 | Confident | 66.5 | Low | 168 Ų | 168 | 106.2 Ų | 106.2 | 63% | 0.634 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -55.5 | -45.3 | 174.6 | -73.3 | -179 | -178.4 | 168.5 | 1.6 | 111.3 | L27 Y29 F33 L34 D35 | L27-R31 WeakPolarHBondContact O-CG 3.35Å; L27-R31 PolarHBondContact O-N 3.14Å; Y29-R31 PolarHBondContact O-N 3.25Å; R31-F33 VanDerWaalsContact C-N 3.29Å; R31-F33 PolarHBondContact O-N 2.91Å; R31-L34 PolarHBondContact O-N 3.44Å; R31-L34 VanDerWaalsContact O-N 3.12Å; R31-D35 VanDerWaalsContact O-CG 3.3Å; R31-D35 PolarHBondContact O-N 3.2Å |
| 32 | R | 73.9 | Confident | 67.2 | Low | 152 Ų | 152 | 104.4 Ų | 104.4 | 57% | 0.574 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.9 | -31.8 | 176.2 | -174.6 | 178 | -178.8 | 142 | 0.3 | 113.7 | Y28 Y29 M30 K36 | Y28-R32 WeakPolarHBondContact O-CB 3.33Å; Y28-R32 PolarHBondContact O-N 3.19Å; Y28-R32 VanDerWaalsContact O-N 3.17Å; Y29-R32 WeakPolarHBondContact O-CA 3.32Å; Y29-R32 VanDerWaalsContact O-CB 3.29Å; Y29-R32 WeakPolarHBondContact O-CB 3.43Å; Y29-R32 PolarHBondContact O-N 3.05Å; M30-R32 VanDerWaalsContact C-N 3.27Å; M30-R32 PolarHBondContact O-N 3.47Å; R32-K36 PolarHBondContact O-N 3.42Å |
| 33 | F | 73.2 | Confident | 67.6 | Low | 68 Ų | 68 | 106.8 Ų | 106.8 | 30% | 0.298 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.2 | -46.4 | 171.9 | -76.8 | -83.8 | 0 | 0 | 0 | 111.3 | Y29 M30 R31 D35 K36 Y37 | Y29-F33 AromaticContact CD1-CD2 3.49Å; Y29-F33 HydrophobicContact CD1-CD2 3.49Å; Y29-F33 VanDerWaalsContact CD1-CD2 3.49Å; Y29-F33 AromaticContact CD1-CE2 3.17Å; Y29-F33 HydrophobicContact CD1-CE2 3.17Å; Y29-F33 HydrophobicContact CD1-CZ 4.12Å; Y29-F33 HydrophobicContact CD2-CD2 4.44Å; Y29-F33 AromaticContact CD2-CE2 3.52Å; Y29-F33 HydrophobicContact CD2-CE2 3.52Å; Y29-F33 HydrophobicContact CD2-CZ 4.27Å; Y29-F33 AromaticContact CE1-CD2 3.51Å; Y29-F33 HydrophobicContact CE1-CD2 3.51Å; Y29-F33 HydrophobicContact CE1-CE1 4.36Å; Y29-F33 AromaticContact CE1-CE2 2.91Å; Y29-F33 HydrophobicContact CE1-CE2 2.91Å; Y29-F33 AromaticContact CE1-CZ 3.4Å; Y29-F33 HydrophobicContact CE1-CZ 3.4Å; Y29-F33 HydrophobicContact CE2-CD2 4.46Å; Y29-F33 AromaticContact CE2-CE2 3.28Å; Y29-F33 HydrophobicContact CE2-CE2 3.28Å; Y29-F33 AromaticContact CE2-CZ 3.56Å; Y29-F33 HydrophobicContact CE2-CZ 3.56Å; Y29-F33 AromaticContact CG-CD2 3.98Å; Y29-F33 HydrophobicContact CG-CD2 3.98Å; Y29-F33 AromaticContact CG-CE2 3.47Å; Y29-F33 HydrophobicContact CG-CE2 3.47Å; Y29-F33 VanDerWaalsContact CG-CE2 3.47Å; Y29-F33 AromaticContact CZ-CE2 2.96Å; Y29-F33 AromaticContact CZ-CZ 3.06Å; Y29-F33 WeakPolarHBondContact O-CD2 3.32Å; Y29-F33 PolarHBondContact O-N 3.38Å; Y29-F33 WeakPolarHBondContact OH-CZ 3.08Å; M30-F33 PolarHBondContact O-N 3.42Å; R31-F33 VanDerWaalsContact C-N 3.29Å; R31-F33 PolarHBondContact O-N 2.91Å; F33-D35 PolarHBondContact O-N 3.18Å; F33-K36 WeakPolarHBondContact O-CB 2.96Å; F33-K36 PolarHBondContact O-N 3.03Å; F33-K36 VanDerWaalsContact O-N 3.13Å; F33-Y37 HydrophobicContact CB-CD2 4.44Å; F33-Y37 WeakPolarHBondContact O-CD2 3.5Å; F33-Y37 PolarHBondContact O-N 3.19Å |
| 34 | L | 73.1 | Confident | 68 | Low | 110 Ų | 110 | 109.8 Ų | 109.8 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.3 | -46.5 | 179.9 | -88.5 | 79.5 | 0 | 0 | 0 | 111.5 | M30 R31 K36 Y37 E38 | M30-L34 WeakPolarHBondContact O-CD1 2.94Å; M30-L34 PolarHBondContact O-N 2.94Å; R31-L34 PolarHBondContact O-N 3.44Å; R31-L34 VanDerWaalsContact O-N 3.12Å; L34-K36 PolarHBondContact O-N 3.08Å; L34-Y37 WeakPolarHBondContact O-CA 3.44Å; L34-Y37 WeakPolarHBondContact O-CB 3.27Å; L34-Y37 PolarHBondContact O-N 3.11Å; L34-E38 PolarHBondContact O-N 3.37Å |
| 35 | D | 75.2 | Confident | 68.3 | Low | 97 Ų | 97 | 108.2 Ų | 108.2 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.5 | -41.2 | 176 | -63.6 | -18 | 0 | 0 | 0 | 111.3 | R31 F33 Y37 E38 V39 | R31-D35 VanDerWaalsContact O-CG 3.3Å; R31-D35 PolarHBondContact O-N 3.2Å; F33-D35 PolarHBondContact O-N 3.18Å; D35-Y37 VanDerWaalsContact C-N 3.34Å; D35-Y37 PolarHBondContact O-N 3.25Å; D35-E38 PolarHBondContact O-N 3.38Å; D35-V39 WeakPolarHBondContact O-CG2 3.23Å; D35-V39 PolarHBondContact O-N 2.92Å |
| 36 | K | 72.7 | Confident | 68.3 | Low | 131 Ų | 131 | 107.1 Ų | 107.1 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.7 | -34.9 | 177.7 | -167.8 | 179.1 | -179.2 | -177.1 | 0 | 112 | R32 F33 L34 M40 | R32-K36 PolarHBondContact O-N 3.42Å; F33-K36 WeakPolarHBondContact O-CB 2.96Å; F33-K36 PolarHBondContact O-N 3.03Å; F33-K36 VanDerWaalsContact O-N 3.13Å; L34-K36 PolarHBondContact O-N 3.08Å; K36-M40 WeakPolarHBondContact O-CG 3.46Å; K36-M40 PolarHBondContact O-N 3.36Å |
| 37 | Y | 66.2 | Low | 68.3 | Low | 124 Ų | 124 | 111.2 Ų | 111.2 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.3 | -39.4 | 177 | -87.1 | -74 | 0 | 0 | 0 | 112.3 | F33 L34 D35 M40 C41 | F33-Y37 HydrophobicContact CB-CD2 4.44Å; F33-Y37 WeakPolarHBondContact O-CD2 3.5Å; F33-Y37 PolarHBondContact O-N 3.19Å; L34-Y37 WeakPolarHBondContact O-CA 3.44Å; L34-Y37 WeakPolarHBondContact O-CB 3.27Å; L34-Y37 PolarHBondContact O-N 3.11Å; D35-Y37 VanDerWaalsContact C-N 3.34Å; D35-Y37 PolarHBondContact O-N 3.25Å; Y37-M40 WeakPolarHBondContact O-CB 3.28Å; Y37-M40 PolarHBondContact O-N 3.15Å; Y37-C41 WeakPolarHBondContact O-CB 3.42Å; Y37-C41 PolarHBondContact O-N 3.33Å |
| 38 | E | 71.3 | Confident | 67.8 | Low | 121 Ų | 121 | 116.2 Ų | 116.2 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.8 | -48.8 | 175.9 | -173.8 | 173.2 | -164.6 | 0 | 0 | 110.8 | L34 D35 M40 C41 E42 | L34-E38 PolarHBondContact O-N 3.37Å; D35-E38 PolarHBondContact O-N 3.38Å; E38-M40 VanDerWaalsContact C-N 3.28Å; E38-M40 PolarHBondContact O-N 3.39Å; E38-C41 WeakPolarHBondContact O-CB 3.44Å; E38-C41 PolarHBondContact O-N 3.44Å; E38-C41 VanDerWaalsContact O-N 3.1Å; E38-E42 PolarHBondContact O-N 3.17Å |
| 39 | V | 71.2 | Confident | 67.1 | Low | 81 Ų | 81 | 117.2 Ų | 117.2 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -35.7 | 176 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | D35 R43 | D35-V39 WeakPolarHBondContact O-CG2 3.23Å; D35-V39 PolarHBondContact O-N 2.92Å; V39-R43 WeakPolarHBondContact O-CB 3.41Å; V39-R43 PolarHBondContact O-N 2.87Å; V39-R43 VanDerWaalsContact O-N 3.17Å |
| 40 | M | 64.9 | Low | 66.6 | Low | 91 Ų | 91 | 115.5 Ų | 115.5 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | 175.5 | -69.8 | -89.8 | 166.7 | 0 | 0 | 111.2 | K36 Y37 E38 R43 E44 | K36-M40 WeakPolarHBondContact O-CG 3.46Å; K36-M40 PolarHBondContact O-N 3.36Å; Y37-M40 WeakPolarHBondContact O-CB 3.28Å; Y37-M40 PolarHBondContact O-N 3.15Å; E38-M40 VanDerWaalsContact C-N 3.28Å; E38-M40 PolarHBondContact O-N 3.39Å; M40-R43 PolarHBondContact O-N 3.27Å; M40-E44 WeakPolarHBondContact O-CG 3.48Å; M40-E44 PolarHBondContact O-N 2.88Å; M40-E44 VanDerWaalsContact O-N 3.11Å |
| 41 | C | 65.4 | Low | 65.8 | Low | 74 Ų | 74 | 117.8 Ų | 117.8 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 177.9 | -169.7 | 0 | 0 | 0 | 0 | 111.5 | Y37 E38 R43 E44 V45 | Y37-C41 WeakPolarHBondContact O-CB 3.42Å; Y37-C41 PolarHBondContact O-N 3.33Å; E38-C41 WeakPolarHBondContact O-CB 3.44Å; E38-C41 PolarHBondContact O-N 3.44Å; E38-C41 VanDerWaalsContact O-N 3.1Å; C41-R43 VanDerWaalsContact C-N 3.28Å; C41-R43 PolarHBondContact O-N 3.49Å; C41-E44 PolarHBondContact O-N 2.87Å; C41-E44 VanDerWaalsContact O-N 3.08Å; C41-V45 WeakPolarHBondContact O-CG2 3.37Å; C41-V45 PolarHBondContact O-N 3.49Å |
| 42 | E | 68.5 | Low | 64.7 | Low | 127 Ų | 127 | 114.7 Ų | 114.7 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.4 | -43 | 176.6 | -73.5 | -167.6 | 146.1 | 0 | 0 | 111.7 | E38 E44 V45 L46 | E38-E42 PolarHBondContact O-N 3.17Å; E42-E44 VanDerWaalsContact C-N 3.3Å; E42-E44 PolarHBondContact O-N 2.91Å; E42-V45 PolarHBondContact O-N 3.1Å; E42-L46 WeakPolarHBondContact O-CB 3.38Å; E42-L46 PolarHBondContact O-N 3.21Å |
| 43 | R | 63.3 | Low | 63.6 | Low | 172 Ų | 172 | 110.8 Ų | 110.8 | 65% | 0.649 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.9 | -38.1 | 177.2 | -173.8 | -177.4 | -69.3 | -167.2 | -3 | 112.1 | V39 M40 C41 K47 | V39-R43 WeakPolarHBondContact O-CB 3.41Å; V39-R43 PolarHBondContact O-N 2.87Å; V39-R43 VanDerWaalsContact O-N 3.17Å; M40-R43 PolarHBondContact O-N 3.27Å; C41-R43 VanDerWaalsContact C-N 3.28Å; C41-R43 PolarHBondContact O-N 3.49Å; R43-K47 WeakPolarHBondContact O-CB 3.44Å; R43-K47 PolarHBondContact O-N 2.86Å |
| 44 | E | 61.8 | Low | 62.6 | Low | 81 Ų | 81 | 109.9 Ų | 109.9 | 38% | 0.379 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -73 | -39.4 | 178.2 | -74.2 | -172.6 | 175.5 | 0 | 0 | 113 | M40 C41 E42 K47 R48 L78 | M40-E44 WeakPolarHBondContact O-CG 3.48Å; M40-E44 PolarHBondContact O-N 2.88Å; M40-E44 VanDerWaalsContact O-N 3.11Å; C41-E44 PolarHBondContact O-N 2.87Å; C41-E44 VanDerWaalsContact O-N 3.08Å; E42-E44 VanDerWaalsContact C-N 3.3Å; E42-E44 PolarHBondContact O-N 2.91Å; E44-K47 PolarHBondContact O-N 2.94Å; E44-R48 PolarHBondContact O-N 3.27Å; E44-L78 VanDerWaalsContact CD-CD2 3.47Å; E44-L78 WeakPolarHBondContact OE1-CD1 3.35Å; E44-L78 VanDerWaalsContact OE1-CD2 3.28Å; E44-L78 WeakPolarHBondContact OE1-CD2 3.31Å; E44-L78 WeakPolarHBondContact OE2-CD2 3.17Å |
| 45 | V | 62.3 | Low | 61.5 | Low | 91 Ų | 91 | 109.3 Ų | 109.3 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.8 | -45.3 | 174.7 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | C41 E42 K47 R48 Y49 | C41-V45 WeakPolarHBondContact O-CG2 3.37Å; C41-V45 PolarHBondContact O-N 3.49Å; E42-V45 PolarHBondContact O-N 3.1Å; V45-K47 PolarHBondContact O-N 3.18Å; V45-R48 PolarHBondContact O-N 3.31Å; V45-Y49 PolarHBondContact O-N 2.92Å |
| 46 | L | 64 | Low | 60.1 | Low | 127 Ų | 127 | 112.4 Ų | 112.4 | 67% | 0.665 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.5 | -42.9 | 177.3 | -173.9 | 66.7 | 0 | 0 | 0 | 111.7 | E42 R48 Y49 D50 | E42-L46 WeakPolarHBondContact O-CB 3.38Å; E42-L46 PolarHBondContact O-N 3.21Å; L46-R48 VanDerWaalsContact C-N 3.29Å; L46-R48 PolarHBondContact O-N 3.24Å; L46-Y49 WeakPolarHBondContact O-CB 3.4Å; L46-Y49 PolarHBondContact O-N 3.24Å; L46-D50 PolarHBondContact O-N 2.93Å |
| 47 | K | 61.1 | Low | 58.9 | Low | 142 Ų | 142 | 115.9 Ų | 115.9 | 62% | 0.617 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.6 | -33.9 | 177.1 | -170.3 | 175.2 | -176.8 | 175.6 | 0 | 112.6 | R43 E44 V45 H51 | R43-K47 WeakPolarHBondContact O-CB 3.44Å; R43-K47 PolarHBondContact O-N 2.86Å; E44-K47 PolarHBondContact O-N 2.94Å; V45-K47 PolarHBondContact O-N 3.18Å; K47-H51 PolarHBondContact O-N 3.4Å; K47-H51 VanDerWaalsContact O-N 3.16Å |
| 48 | R | 55.9 | Low | 57.9 | Low | 159 Ų | 159 | 115.1 Ų | 115.1 | 60% | 0.6 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.9 | -38.2 | 171.3 | -74.5 | -166.3 | -168.6 | -151.8 | 6.6 | 111.7 | E44 V45 L46 H51 V52 | E44-R48 PolarHBondContact O-N 3.27Å; V45-R48 PolarHBondContact O-N 3.31Å; L46-R48 VanDerWaalsContact C-N 3.29Å; L46-R48 PolarHBondContact O-N 3.24Å; R48-H51 PolarHBondContact O-N 3.38Å; R48-V52 VanDerWaalsContact O-CG2 3.3Å; R48-V52 WeakPolarHBondContact O-CG2 3.39Å; R48-V52 PolarHBondContact O-N 2.94Å |
| 49 | Y | 53.4 | Low | 56.7 | Low | 170 Ų | 170 | 118.1 Ų | 118.1 | 67% | 0.667 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.9 | -44.2 | 178.7 | -147.2 | -92.8 | 0 | 0 | 0 | 111.6 | V45 L46 H51 V52 V53 | V45-Y49 PolarHBondContact O-N 2.92Å; L46-Y49 WeakPolarHBondContact O-CB 3.4Å; L46-Y49 PolarHBondContact O-N 3.24Å; Y49-H51 PolarHBondContact O-N 2.92Å; Y49-V52 PolarHBondContact O-N 3.47Å; Y49-V53 HydrophobicContact CD1-CG2 4.04Å; Y49-V53 HydrophobicContact CE1-CG2 4.06Å; Y49-V53 WeakPolarHBondContact O-CG2 3.48Å; Y49-V53 PolarHBondContact O-N 3.36Å |
| 50 | D | 56.3 | Low | 55.4 | Low | 104 Ų | 104 | 117.8 Ų | 117.8 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.7 | -41 | 177 | -164.8 | 29.3 | 0 | 0 | 0 | 111.7 | L46 V52 V53 T54 | L46-D50 PolarHBondContact O-N 2.93Å; D50-V52 PolarHBondContact O-N 3Å; D50-V53 PolarHBondContact O-N 2.84Å; D50-T54 WeakPolarHBondContact O-CB 3.36Å; D50-T54 WeakPolarHBondContact O-CG2 3.27Å; D50-T54 PolarHBondContact O-N 3.47Å; D50-T54 PolarHBondContact O-OG1 2.86Å |
| 51 | H | 52.8 | Low | 54.4 | Low | 83 Ų | 83 | 123.4 Ų | 123.4 | 38% | 0.384 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.4 | -32.4 | 175 | -107.3 | -60.9 | 0 | 0 | 0 | 114.1 | K47 R48 Y49 T54 N55 | K47-H51 PolarHBondContact O-N 3.4Å; K47-H51 VanDerWaalsContact O-N 3.16Å; R48-H51 PolarHBondContact O-N 3.38Å; Y49-H51 PolarHBondContact O-N 2.92Å; H51-T54 WeakPolarHBondContact CA-OG1 3.49Å; H51-T54 PolarHBondContact O-OG1 3.26Å; H51-N55 VanDerWaalsContact O-CB 3.22Å; H51-N55 WeakPolarHBondContact O-CB 3.17Å; H51-N55 PolarHBondContact O-N 3.28Å; H51-N55 VanDerWaalsContact O-N 3.11Å; H51-N55 PolarHBondContact O-ND2 2.99Å; H51-N55 PolarHBondContact O-OD1 3.49Å |
| 52 | V | 52.6 | Low | 53.1 | Low | 104 Ų | 104 | 126.4 Ų | 126.4 | 63% | 0.63 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.2 | -39.3 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | R48 Y49 D50 | R48-V52 VanDerWaalsContact O-CG2 3.3Å; R48-V52 WeakPolarHBondContact O-CG2 3.39Å; R48-V52 PolarHBondContact O-N 2.94Å; Y49-V52 PolarHBondContact O-N 3.47Å; D50-V52 PolarHBondContact O-N 3Å |
| 53 | V | 50.9 | Low | 51.9 | Low | 70 Ų | 70 | 126.7 Ų | 126.7 | 42% | 0.424 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.2 | -46.3 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | Y49 D50 N55 H56 W57 | Y49-V53 HydrophobicContact CD1-CG2 4.04Å; Y49-V53 HydrophobicContact CE1-CG2 4.06Å; Y49-V53 WeakPolarHBondContact O-CG2 3.48Å; Y49-V53 PolarHBondContact O-N 3.36Å; D50-V53 PolarHBondContact O-N 2.84Å; V53-N55 PolarHBondContact O-N 3.4Å; V53-H56 PolarHBondContact O-N 2.98Å; V53-W57 VanDerWaalsContact O-CD1 3.32Å |
| 54 | T | 52.3 | Low | 51 | Low | 48 Ų | 48 | 125.6 Ų | 125.6 | 29% | 0.294 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.8 | -39.1 | 178.8 | 45.5 | 0 | 0 | 0 | 0 | 113.1 | D50 H51 H56 W57 D58 | D50-T54 WeakPolarHBondContact O-CB 3.36Å; D50-T54 WeakPolarHBondContact O-CG2 3.27Å; D50-T54 PolarHBondContact O-N 3.47Å; D50-T54 PolarHBondContact O-OG1 2.86Å; H51-T54 WeakPolarHBondContact CA-OG1 3.49Å; H51-T54 PolarHBondContact O-OG1 3.26Å; T54-H56 PolarHBondContact O-N 3.13Å; T54-H56 VanDerWaalsContact O-N 3.11Å; T54-W57 PolarHBondContact O-N 3.37Å; T54-W57 VanDerWaalsContact O-N 3.09Å; T54-D58 PolarHBondContact O-N 2.97Å; T54-D58 VanDerWaalsContact O-N 3.14Å |
| 55 | N | 49.1 | Very low | 49.8 | Very low | 99 Ų | 99 | 131 Ų | 131 | 53% | 0.529 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.3 | -16.4 | 177.7 | -75.3 | -2.7 | 0 | 0 | 0 | 114.2 | H51 V53 | H51-N55 VanDerWaalsContact O-CB 3.22Å; H51-N55 WeakPolarHBondContact O-CB 3.17Å; H51-N55 PolarHBondContact O-N 3.28Å; H51-N55 VanDerWaalsContact O-N 3.11Å; H51-N55 PolarHBondContact O-ND2 2.99Å; H51-N55 PolarHBondContact O-OD1 3.49Å; V53-N55 PolarHBondContact O-N 3.4Å |
| 56 | H | 46.1 | Very low | 49 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 75% | 0.745 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -85.1 | -19.4 | 175.9 | -151 | 57.3 | 0 | 0 | 0 | 113.3 | V53 T54 | V53-H56 PolarHBondContact O-N 2.98Å; T54-H56 PolarHBondContact O-N 3.13Å; T54-H56 VanDerWaalsContact O-N 3.11Å |
| 57 | W | 47 | Very low | 48 | Very low | 205 Ų | 205 | 133.6 Ų | 133.6 | 78% | 0.777 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -103.9 | -24 | -178.1 | -66.8 | 82.8 | 0 | 0 | 0 | 113.4 | V53 T54 H59 | V53-W57 VanDerWaalsContact O-CD1 3.32Å; T54-W57 PolarHBondContact O-N 3.37Å; T54-W57 VanDerWaalsContact O-N 3.09Å; W57-H59 PolarHBondContact O-N 3.3Å |
| 58 | D | 45.3 | Very low | 47.4 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 58% | 0.578 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -94.6 | 21 | -172.9 | -77 | -33.1 | 0 | 0 | 0 | 115.6 | T54 A60 | T54-D58 PolarHBondContact O-N 2.97Å; T54-D58 VanDerWaalsContact O-N 3.14Å; D58-A60 PolarHBondContact O-N 3.12Å |
| 59 | H | 46.2 | Very low | 46.6 | Very low | 183 Ų | 183 | 125.8 Ų | 125.8 | 85% | 0.847 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -74.9 | 7 | 164.1 | -82.3 | -60.5 | 0 | 0 | 0 | 113.5 | W57 | W57-H59 PolarHBondContact O-N 3.3Š|
| 60 | A | 45.5 | Very low | 46.2 | Very low | 75 Ų | 75 | 122 Ų | 122 | 62% | 0.62 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -106.6 | -7.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D58 | D58-A60 PolarHBondContact O-N 3.12Š|
| 61 | Y | 42.4 | Very low | 46 | Very low | 208 Ų | 208 | 125.6 Ų | 125.6 | 82% | 0.816 | 65% | 0.645 | S | S | * | * | trans | -130 | 94.3 | -177.9 | -83.9 | -86.6 | 0 | 0 | 0 | 113.5 | ||||
| 62 | D | 38.3 | Very low | 46 | Very low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 65% | 0.654 | S | S | * | * | trans | -11.8 | 137.4 | 147.4 | -105.8 | -46.2 | 0 | 0 | 0 | 118 | ||||
| 63 | N | 43.5 | Very low | 46.1 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | trans | 56.8 | 78 | 147.3 | -60.6 | -51.4 | 0 | 0 | 0 | 119.1 | ||||
| 64 | L | 44.7 | Very low | 46.3 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -128.4 | 92.2 | 147.3 | -148.6 | 74.2 | 0 | 0 | 0 | 110.1 | I66 | L64-I66 VanDerWaalsContact C-N 3.28Å; L64-I66 HydrophobicContact CD2-CD1 3.69Å; L64-I66 HydrophobicContact CD2-CG1 4.1Å; L64-I66 HydrophobicContact CG-CD1 4.32Å; L64-I66 HydrophobicContact CG-CG1 4.18Å; L64-I66 PolarHBondContact O-N 2.92Å | ||
| 65 | E | 36.8 | Very low | 46.6 | Very low | 193 Ų | 193 | 132.5 Ų | 132.5 | 90% | 0.902 | 67% | 0.669 | S | S | * | * | trans | -51.3 | 92 | 159.7 | -71.4 | 171.3 | 100.4 | 0 | 0 | 109.2 | ||||
| 66 | I | 46 | Very low | 47 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 56% | 0.564 | 67% | 0.672 | S | S | * | * | trans | -116.5 | 91.7 | 159.4 | -62.1 | -179.1 | 0 | 0 | 0 | 105.9 | L64 T68 | L64-I66 VanDerWaalsContact C-N 3.28Å; L64-I66 HydrophobicContact CD2-CD1 3.69Å; L64-I66 HydrophobicContact CD2-CG1 4.1Å; L64-I66 HydrophobicContact CG-CD1 4.32Å; L64-I66 HydrophobicContact CG-CG1 4.18Å; L64-I66 PolarHBondContact O-N 2.92Å; I66-T68 HydrophobicContact CG2-CG2 3.75Å; I66-T68 PolarHBondContact O-N 3.37Å; I66-T68 PolarHBondContact O-OG1 3.44Å; I66-T68 VanDerWaalsContact O-OG1 3.11Å | ||
| 67 | D | 42.3 | Very low | 47.7 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 88% | 0.877 | 66% | 0.662 | S | S | * | * | trans | -48.9 | 85 | 162.1 | -151.4 | -52 | 0 | 0 | 0 | 109.2 | ||||
| 68 | T | 48.9 | Very low | 48.5 | Very low | 82 Ų | 82 | 123.6 Ų | 123.6 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | trans | -117.9 | 97.3 | 170.6 | 35 | 0 | 0 | 0 | 0 | 106.1 | I66 | I66-T68 HydrophobicContact CG2-CG2 3.75Å; I66-T68 PolarHBondContact O-N 3.37Å; I66-T68 PolarHBondContact O-OG1 3.44Å; I66-T68 VanDerWaalsContact O-OG1 3.11Å | ||
| 69 | G | 38.6 | Very low | 49.5 | Very low | 54 Ų | 54 | 124.6 Ų | 124.6 | 56% | 0.557 | 65% | 0.645 | S | S | * | * | trans | -41 | 159 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R71 | G69-R71 PolarHBondContact O-N 3.47Å; G69-R71 VanDerWaalsContact O-N 3.14Å | ||
| 70 | P | 44.1 | Very low | 50.9 | Low | 92 Ų | 92 | 119.9 Ų | 119.9 | 60% | 0.597 | 63% | 0.629 | S | S | * | * | trans | -45.7 | 109.4 | -145 | 17.7 | -32.3 | 0 | 0 | 0 | 113.4 | T72 N73 | P70-T72 PolarHBondContact O-N 3.28Å; P70-N73 PolarHBondContact O-N 2.85Å | ||
| 71 | R | 52.2 | Low | 52.4 | Low | 178 Ų | 178 | 120.1 Ų | 120.1 | 67% | 0.672 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -9.5 | 173.8 | -78.3 | 175.7 | 147.7 | -179.7 | -6.4 | 114 | G69 | G69-R71 PolarHBondContact O-N 3.47Å; G69-R71 VanDerWaalsContact O-N 3.14Å |
| 72 | T | 52.7 | Low | 54.2 | Low | 92 Ų | 92 | 114.4 Ų | 114.4 | 56% | 0.564 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -26.3 | -177.8 | 53.7 | 0 | 0 | 0 | 0 | 114 | P70 | P70-T72 PolarHBondContact O-N 3.28Š|
| 73 | N | 54.9 | Low | 56.1 | Low | 85 Ų | 85 | 111.6 Ų | 111.6 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -89.7 | -23.5 | -164.9 | -66.6 | -0.6 | 0 | 0 | 0 | 114.5 | P70 H75 L76 I77 | P70-N73 PolarHBondContact O-N 2.85Å; N73-H75 PolarHBondContact O-N 3.03Å; N73-L76 PolarHBondContact O-N 3.37Å; N73-I77 WeakPolarHBondContact O-CG1 3.14Å; N73-I77 PolarHBondContact O-N 3.04Å; N73-I77 VanDerWaalsContact O-N 3.14Å |
| 74 | K | 55.6 | Low | 57.8 | Low | 159 Ų | 159 | 110.9 Ų | 110.9 | 69% | 0.691 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.4 | -37.5 | -178.3 | -63 | -175.3 | -177.3 | -179.9 | 0 | 112.2 | L78 | K74-L78 PolarHBondContact O-N 3.39Å |
| 75 | H | 58.5 | Low | 59.6 | Low | 115 Ų | 115 | 105.1 Ų | 105.1 | 53% | 0.532 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.6 | -37 | 177 | -64.9 | -62.1 | 0 | 0 | 0 | 112.5 | N73 L79 | N73-H75 PolarHBondContact O-N 3.03Å; H75-L79 PolarHBondContact O-N 3.01Å |
| 76 | L | 58.3 | Low | 61.9 | Low | 111 Ų | 111 | 100.1 Ų | 100.1 | 58% | 0.581 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.8 | -43 | 177.8 | -69.4 | 172.2 | 0 | 0 | 0 | 112.1 | N73 L78 L79 V80 | N73-L76 PolarHBondContact O-N 3.37Å; L76-L78 VanDerWaalsContact C-N 3.27Å; L76-L78 PolarHBondContact O-N 3.42Å; L76-L79 PolarHBondContact O-N 3.17Å; L76-V80 WeakPolarHBondContact O-CG2 3.26Å; L76-V80 PolarHBondContact O-N 3.32Å |
| 77 | I | 59.1 | Low | 63.6 | Low | 106 Ų | 106 | 96.6 Ų | 96.6 | 54% | 0.544 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 177.5 | -65.2 | 162.9 | 0 | 0 | 0 | 110 | N73 L79 V80 V81 | N73-I77 WeakPolarHBondContact O-CG1 3.14Å; N73-I77 PolarHBondContact O-N 3.04Å; N73-I77 VanDerWaalsContact O-N 3.14Å; I77-L79 VanDerWaalsContact C-N 3.32Å; I77-L79 PolarHBondContact O-N 2.93Å; I77-V80 PolarHBondContact O-N 2.9Å; I77-V81 HydrophobicContact CG2-CG2 3.98Å; I77-V81 WeakPolarHBondContact O-CB 3.08Å; I77-V81 VanDerWaalsContact O-CG2 3.23Å; I77-V81 WeakPolarHBondContact O-CG2 3.29Å; I77-V81 PolarHBondContact O-N 3.35Å |
| 78 | L | 65.1 | Low | 65.4 | Low | 60 Ų | 60 | 91.5 Ų | 91.5 | 31% | 0.314 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 178 | -123.4 | 111.5 | 0 | 0 | 0 | 112.5 | E44 K74 L76 V80 V81 I82 | E44-L78 VanDerWaalsContact CD-CD2 3.47Å; E44-L78 WeakPolarHBondContact OE1-CD1 3.35Å; E44-L78 VanDerWaalsContact OE1-CD2 3.28Å; E44-L78 WeakPolarHBondContact OE1-CD2 3.31Å; E44-L78 WeakPolarHBondContact OE2-CD2 3.17Å; K74-L78 PolarHBondContact O-N 3.39Å; L76-L78 VanDerWaalsContact C-N 3.27Å; L76-L78 PolarHBondContact O-N 3.42Å; L78-V80 PolarHBondContact O-N 2.73Å; L78-V81 PolarHBondContact O-N 2.82Å; L78-I82 HydrophobicContact CD2-CD1 3.93Å; L78-I82 WeakPolarHBondContact O-CD1 3.48Å; L78-I82 VanDerWaalsContact O-CG1 3.27Å; L78-I82 WeakPolarHBondContact O-CG1 3.48Å; L78-I82 PolarHBondContact O-N 3.04Å; L78-I82 VanDerWaalsContact O-N 3.15Å |
| 79 | L | 65.6 | Low | 67 | Low | 129 Ų | 129 | 91.6 Ų | 91.6 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.1 | -22.5 | -179.5 | -147 | 123 | 0 | 0 | 0 | 113 | H75 L76 I77 P83 | H75-L79 PolarHBondContact O-N 3.01Å; L76-L79 PolarHBondContact O-N 3.17Å; I77-L79 VanDerWaalsContact C-N 3.32Å; I77-L79 PolarHBondContact O-N 2.93Å; L79-P83 WeakPolarHBondContact O-CD 3.4Å; L79-P83 WeakPolarHBondContact O-CG 3.44Å |
| 80 | V | 76.1 | Confident | 69 | Low | 84 Ų | 84 | 91.2 Ų | 91.2 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -91.7 | -40.3 | 177.4 | 174 | 0 | 0 | 0 | 0 | 111.3 | L76 I77 L78 P83 L84 | L76-V80 WeakPolarHBondContact O-CG2 3.26Å; L76-V80 PolarHBondContact O-N 3.32Å; I77-V80 PolarHBondContact O-N 2.9Å; L78-V80 PolarHBondContact O-N 2.73Å; V80-P83 WeakPolarHBondContact O-CD 3.26Å; V80-P83 WeakPolarHBondContact O-CG 3.27Å; V80-L84 HydrophobicContact CG1-CD1 3.78Å; V80-L84 WeakPolarHBondContact O-CB 3.4Å; V80-L84 PolarHBondContact O-N 2.92Å |
| 81 | V | 77 | Confident | 70.9 | Confident | 81 Ų | 81 | 91.6 Ų | 91.6 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.2 | -36.9 | -176.7 | 172.9 | 0 | 0 | 0 | 0 | 112 | I77 L78 L84 S85 | I77-V81 HydrophobicContact CG2-CG2 3.98Å; I77-V81 WeakPolarHBondContact O-CB 3.08Å; I77-V81 VanDerWaalsContact O-CG2 3.23Å; I77-V81 WeakPolarHBondContact O-CG2 3.29Å; I77-V81 PolarHBondContact O-N 3.35Å; L78-V81 PolarHBondContact O-N 2.82Å; V81-L84 PolarHBondContact O-N 3.42Å; V81-S85 WeakPolarHBondContact O-CB 3.47Å; V81-S85 PolarHBondContact O-N 3.41Å; V81-S85 PolarHBondContact O-OG 3.4Å |
| 82 | I | 79.2 | Confident | 72.3 | Confident | 88 Ų | 88 | 86.8 Ų | 86.8 | 45% | 0.451 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -55.3 | 179 | -65.4 | 165.2 | 0 | 0 | 0 | 112.5 | L78 L84 S85 V86 | L78-I82 HydrophobicContact CD2-CD1 3.93Å; L78-I82 WeakPolarHBondContact O-CD1 3.48Å; L78-I82 VanDerWaalsContact O-CG1 3.27Å; L78-I82 WeakPolarHBondContact O-CG1 3.48Å; L78-I82 PolarHBondContact O-N 3.04Å; L78-I82 VanDerWaalsContact O-N 3.15Å; I82-L84 VanDerWaalsContact C-N 3.29Å; I82-L84 PolarHBondContact O-N 2.87Å; I82-S85 PolarHBondContact O-N 2.8Å; I82-S85 PolarHBondContact O-OG 3.05Å; I82-V86 HydrophobicContact CG2-CG2 4.4Å; I82-V86 WeakPolarHBondContact O-CB 3.05Å; I82-V86 VanDerWaalsContact O-CG2 3.27Å; I82-V86 WeakPolarHBondContact O-CG2 3.29Å; I82-V86 PolarHBondContact O-N 3.42Å |
| 83 | P | 78.4 | Confident | 73.4 | Confident | 78 Ų | 78 | 87 Ų | 87 | 51% | 0.506 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.4 | -31.4 | 179.1 | 23.3 | -32.1 | 0 | 0 | 0 | 112.4 | L79 V80 G87 | L79-P83 WeakPolarHBondContact O-CD 3.4Å; L79-P83 WeakPolarHBondContact O-CG 3.44Å; V80-P83 WeakPolarHBondContact O-CD 3.26Å; V80-P83 WeakPolarHBondContact O-CG 3.27Å; P83-G87 PolarHBondContact O-N 3.14Å |
| 84 | L | 80.8 | Confident | 74.4 | Confident | 118 Ų | 118 | 88.7 Ų | 88.7 | 62% | 0.618 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.2 | -45 | 172.7 | -96.4 | 159.8 | 0 | 0 | 0 | 112.1 | V80 V81 I82 A88 | V80-L84 HydrophobicContact CG1-CD1 3.78Å; V80-L84 WeakPolarHBondContact O-CB 3.4Å; V80-L84 PolarHBondContact O-N 2.92Å; V81-L84 PolarHBondContact O-N 3.42Å; I82-L84 VanDerWaalsContact C-N 3.29Å; I82-L84 PolarHBondContact O-N 2.87Å; L84-A88 VanDerWaalsContact O-CB 3.29Å; L84-A88 WeakPolarHBondContact O-CB 3.41Å; L84-A88 PolarHBondContact O-N 3.43Å |
| 85 | S | 82 | Confident | 75.4 | Confident | 29 Ų | 29 | 86.8 Ų | 86.8 | 20% | 0.203 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 178.9 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | V81 I82 A88 L89 | V81-S85 WeakPolarHBondContact O-CB 3.47Å; V81-S85 PolarHBondContact O-N 3.41Å; V81-S85 PolarHBondContact O-OG 3.4Å; I82-S85 PolarHBondContact O-N 2.8Å; I82-S85 PolarHBondContact O-OG 3.05Å; S85-A88 PolarHBondContact O-N 3.38Å; S85-L89 VanDerWaalsContact O-CB 3.31Å; S85-L89 WeakPolarHBondContact O-CB 3.35Å; S85-L89 WeakPolarHBondContact O-CG 3.29Å; S85-L89 PolarHBondContact O-N 2.87Å |
| 86 | V | 84.4 | Confident | 75.9 | Confident | 88 Ų | 88 | 83.6 Ų | 83.6 | 53% | 0.533 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | I82 L89 A90 | I82-V86 HydrophobicContact CG2-CG2 4.4Å; I82-V86 WeakPolarHBondContact O-CB 3.05Å; I82-V86 VanDerWaalsContact O-CG2 3.27Å; I82-V86 WeakPolarHBondContact O-CG2 3.29Å; I82-V86 PolarHBondContact O-N 3.42Å; V86-L89 PolarHBondContact O-N 3.5Å; V86-A90 WeakPolarHBondContact O-CB 3.11Å; V86-A90 PolarHBondContact O-N 3.03Å |
| 87 | G | 81.8 | Confident | 76.3 | Confident | 35 Ų | 35 | 81.1 Ų | 81.1 | 36% | 0.361 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P83 A90 V91 | P83-G87 PolarHBondContact O-N 3.14Å; G87-A90 PolarHBondContact O-N 2.85Å; G87-V91 WeakPolarHBondContact O-CG2 3.35Å; G87-V91 PolarHBondContact O-N 2.96Å |
| 88 | A | 81.4 | Confident | 76.7 | Confident | 58 Ų | 58 | 82.6 Ų | 82.6 | 48% | 0.479 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L84 S85 A90 V91 V92 | L84-A88 VanDerWaalsContact O-CB 3.29Å; L84-A88 WeakPolarHBondContact O-CB 3.41Å; L84-A88 PolarHBondContact O-N 3.43Å; S85-A88 PolarHBondContact O-N 3.38Å; A88-A90 VanDerWaalsContact C-N 3.33Å; A88-A90 PolarHBondContact O-N 3.28Å; A88-V91 PolarHBondContact O-N 2.92Å; A88-V92 WeakPolarHBondContact O-CB 3.43Å; A88-V92 VanDerWaalsContact O-CG2 3.26Å; A88-V92 WeakPolarHBondContact O-CG2 3.44Å; A88-V92 PolarHBondContact O-N 2.99Å |
| 89 | L | 80.5 | Confident | 76.6 | Confident | 84 Ų | 84 | 83.9 Ų | 83.9 | 44% | 0.44 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 175 | -73 | 171.8 | 0 | 0 | 0 | 111.7 | S85 V86 V92 M93 | S85-L89 VanDerWaalsContact O-CB 3.31Å; S85-L89 WeakPolarHBondContact O-CB 3.35Å; S85-L89 WeakPolarHBondContact O-CG 3.29Å; S85-L89 PolarHBondContact O-N 2.87Å; V86-L89 PolarHBondContact O-N 3.5Å; L89-V92 PolarHBondContact O-N 3.47Å; L89-M93 WeakPolarHBondContact O-CB 3.36Å; L89-M93 VanDerWaalsContact O-CG 3.26Å; L89-M93 WeakPolarHBondContact O-CG 3.29Å; L89-M93 PolarHBondContact O-N 2.98Å |
| 90 | A | 82.3 | Confident | 76.2 | Confident | 45 Ų | 45 | 79.6 Ų | 79.6 | 37% | 0.372 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V86 G87 A88 V92 M93 I94 | V86-A90 WeakPolarHBondContact O-CB 3.11Å; V86-A90 PolarHBondContact O-N 3.03Å; G87-A90 PolarHBondContact O-N 2.85Å; A88-A90 VanDerWaalsContact C-N 3.33Å; A88-A90 PolarHBondContact O-N 3.28Å; A90-V92 VanDerWaalsContact C-N 3.33Å; A90-V92 PolarHBondContact O-N 2.96Å; A90-M93 PolarHBondContact O-N 2.92Å; A90-I94 VanDerWaalsContact O-CG1 3.27Å; A90-I94 WeakPolarHBondContact O-CG1 3.46Å; A90-I94 PolarHBondContact O-N 3.44Å |
| 91 | V | 82.1 | Confident | 75.2 | Confident | 100 Ų | 100 | 84 Ų | 84 | 61% | 0.606 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.6 | -43.9 | 176.3 | 173.6 | 0 | 0 | 0 | 0 | 111 | G87 A88 I94 F95 | G87-V91 WeakPolarHBondContact O-CG2 3.35Å; G87-V91 PolarHBondContact O-N 2.96Å; A88-V91 PolarHBondContact O-N 2.92Å; V91-I94 PolarHBondContact O-N 3.28Å; V91-F95 WeakPolarHBondContact O-CB 3.32Å; V91-F95 PolarHBondContact O-N 3.15Å |
| 92 | V | 81.6 | Confident | 73.9 | Confident | 77 Ų | 77 | 85.6 Ų | 85.6 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 176.2 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | A88 L89 A90 I94 F95 L96 | A88-V92 WeakPolarHBondContact O-CB 3.43Å; A88-V92 VanDerWaalsContact O-CG2 3.26Å; A88-V92 WeakPolarHBondContact O-CG2 3.44Å; A88-V92 PolarHBondContact O-N 2.99Å; L89-V92 PolarHBondContact O-N 3.47Å; A90-V92 VanDerWaalsContact C-N 3.33Å; A90-V92 PolarHBondContact O-N 2.96Å; V92-I94 PolarHBondContact O-N 3.4Å; V92-F95 PolarHBondContact O-N 3.29Å; V92-L96 HydrophobicContact CG1-CD1 3.42Å; V92-L96 VanDerWaalsContact CG1-CD1 3.42Å; V92-L96 HydrophobicContact CG1-CG 4.26Å; V92-L96 WeakPolarHBondContact O-CB 3.07Å; V92-L96 VanDerWaalsContact O-CD1 3.29Å; V92-L96 WeakPolarHBondContact O-CD1 3.34Å; V92-L96 WeakPolarHBondContact O-CG 3.43Å; V92-L96 PolarHBondContact O-N 2.89Å |
| 93 | M | 75.9 | Confident | 72.2 | Confident | 96 Ų | 96 | 87.9 Ų | 87.9 | 47% | 0.473 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 177.1 | -76.8 | -69.8 | -109.2 | 0 | 0 | 112.9 | M30 L89 A90 L96 N97 | M30-M93 HydrophobicContact CE-CE 3.89Å; M30-M93 HydrophobicContact CE-SD 3.67Å; M30-M93 HydrophobicContact SD-CE 3.9Å; M30-M93 HydrophobicContact SD-CG 4.45Å; M30-M93 HydrophobicContact SD-SD 3.38Å; L89-M93 WeakPolarHBondContact O-CB 3.36Å; L89-M93 VanDerWaalsContact O-CG 3.26Å; L89-M93 WeakPolarHBondContact O-CG 3.29Å; L89-M93 PolarHBondContact O-N 2.98Å; A90-M93 PolarHBondContact O-N 2.92Å; M93-L96 PolarHBondContact O-N 3.36Å; M93-N97 WeakPolarHBondContact O-CB 3.34Å; M93-N97 PolarHBondContact O-N 3.46Å |
| 94 | I | 77.1 | Confident | 71.8 | Confident | 122 Ų | 122 | 88.4 Ų | 88.4 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -47 | 177.6 | -68.2 | 164.7 | 0 | 0 | 0 | 110.4 | A90 V91 V92 L96 N97 Y98 | A90-I94 VanDerWaalsContact O-CG1 3.27Å; A90-I94 WeakPolarHBondContact O-CG1 3.46Å; A90-I94 PolarHBondContact O-N 3.44Å; V91-I94 PolarHBondContact O-N 3.28Å; V92-I94 PolarHBondContact O-N 3.4Å; I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 PolarHBondContact O-N 2.76Å; I94-N97 PolarHBondContact O-N 3.3Å; I94-Y98 WeakPolarHBondContact O-CB 3.38Å; I94-Y98 PolarHBondContact O-N 3.45Å |
| 95 | F | 77.3 | Confident | 71.4 | Confident | 118 Ų | 118 | 86.8 Ų | 86.8 | 52% | 0.518 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 178.6 | -176.7 | -99.4 | 0 | 0 | 0 | 111.4 | V91 V92 Y98 H99 | V91-F95 WeakPolarHBondContact O-CB 3.32Å; V91-F95 PolarHBondContact O-N 3.15Å; V92-F95 PolarHBondContact O-N 3.29Å; F95-Y98 WeakPolarHBondContact O-CB 3Å; F95-Y98 PolarHBondContact O-N 2.96Å; F95-H99 AromaticContact CD1-CD2 3.69Å; F95-H99 AromaticContact CE1-CD2 3.29Å; F95-H99 WeakPolarHBondContact CE1-CD2 3.42Å; F95-H99 AromaticContact CE1-NE2 3.49Å; F95-H99 WeakPolarHBondContact CE1-NE2 3.37Å; F95-H99 AromaticContact CE2-CD2 3.71Å; F95-H99 AromaticContact CE2-NE2 3.42Å; F95-H99 WeakPolarHBondContact CE2-NE2 2.84Å; F95-H99 AromaticContact CZ-CD2 3.32Å; F95-H99 WeakPolarHBondContact CZ-CD2 3.49Å; F95-H99 AromaticContact CZ-NE2 3Å; F95-H99 WeakPolarHBondContact CZ-NE2 2.93Å; F95-H99 PolarHBondContact O-CD2 3.23Å; F95-H99 VanDerWaalsContact O-CD2 3.28Å; F95-H99 PolarHBondContact O-N 2.04Å |
| 96 | L | 68.2 | Low | 70.8 | Confident | 48 Ų | 48 | 90 Ų | 90 | 25% | 0.251 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.4 | -42.6 | 179.5 | -68 | 163.6 | 0 | 0 | 0 | 112.1 | M26 V92 M93 I94 Y98 H99 C100 | M26-L96 HydrophobicContact CE-CB 4.49Å; M26-L96 HydrophobicContact CE-CD1 3.6Å; M26-L96 HydrophobicContact SD-CD1 3.43Å; M26-L96 WeakPolarHBondContact SD-CD1 3.43Å; M26-L96 HydrophobicContact SD-CD2 4.09Å; M26-L96 HydrophobicContact SD-CG 4.31Å; V92-L96 HydrophobicContact CG1-CD1 3.42Å; V92-L96 VanDerWaalsContact CG1-CD1 3.42Å; V92-L96 HydrophobicContact CG1-CG 4.26Å; V92-L96 WeakPolarHBondContact O-CB 3.07Å; V92-L96 VanDerWaalsContact O-CD1 3.29Å; V92-L96 WeakPolarHBondContact O-CD1 3.34Å; V92-L96 WeakPolarHBondContact O-CG 3.43Å; V92-L96 PolarHBondContact O-N 2.89Å; M93-L96 PolarHBondContact O-N 3.36Å; I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 PolarHBondContact O-N 2.76Å; L96-Y98 VanDerWaalsContact C-N 3.29Å; L96-Y98 PolarHBondContact O-N 3.23Å; L96-H99 CarbonylContact O-C 3.59Å; L96-H99 PolarHBondContact O-N 3.3Å; L96-H99 VanDerWaalsContact O-N 3.15Å; L96-C100 WeakPolarHBondContact O-CB 3.29Å; L96-C100 PolarHBondContact O-N 2.98Å; L96-C100 PolarHBondContact O-SG 3.35Å |
| 97 | N | 67.1 | Low | 70 | Confident | 59 Ų | 59 | 90.1 Ų | 90.1 | 32% | 0.316 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 173.7 | -174.3 | -43.8 | 0 | 0 | 0 | 110.5 | M93 I94 H99 C100 K101 | M93-N97 WeakPolarHBondContact O-CB 3.34Å; M93-N97 PolarHBondContact O-N 3.46Å; I94-N97 PolarHBondContact O-N 3.3Å; N97-H99 VanDerWaalsContact C-N 3.34Å; N97-H99 PolarHBondContact O-N 3.02Å; N97-C100 PolarHBondContact O-N 3.34Å; N97-K101 PolarHBondContact O-N 3.39Å |
| 98 | Y | 67.5 | Low | 69.2 | Low | 138 Ų | 138 | 93.6 Ų | 93.6 | 54% | 0.541 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.2 | -44.4 | 174.2 | -176.1 | -99.9 | 0 | 0 | 0 | 112.3 | I94 F95 L96 K101 M102 | I94-Y98 WeakPolarHBondContact O-CB 3.38Å; I94-Y98 PolarHBondContact O-N 3.45Å; F95-Y98 WeakPolarHBondContact O-CB 3Å; F95-Y98 PolarHBondContact O-N 2.96Å; L96-Y98 VanDerWaalsContact C-N 3.29Å; L96-Y98 PolarHBondContact O-N 3.23Å; Y98-K101 PolarHBondContact O-N 3.02Å; Y98-M102 HydrophobicContact CD1-CE 4.22Å; Y98-M102 HydrophobicContact CD1-SD 3.94Å; Y98-M102 HydrophobicContact CE1-CE 3.35Å; Y98-M102 HydrophobicContact CE1-SD 3.43Å; Y98-M102 WeakPolarHBondContact CE1-SD 3.43Å; Y98-M102 HydrophobicContact CE2-CE 3.74Å; Y98-M102 WeakPolarHBondContact O-CG 3.03Å; Y98-M102 PolarHBondContact O-N 3.03Å; Y98-M102 WeakPolarHBondContact OH-CE 3.36Å |
| 99 | H | 62.7 | Low | 68.4 | Low | 86 Ų | 86 | 95.9 Ų | 95.9 | 40% | 0.398 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 176.5 | -88.2 | -75.2 | 0 | 0 | 0 | 113.6 | F95 L96 N97 K101 M102 C103 | F95-H99 AromaticContact CD1-CD2 3.69Å; F95-H99 AromaticContact CE1-CD2 3.29Å; F95-H99 WeakPolarHBondContact CE1-CD2 3.42Å; F95-H99 AromaticContact CE1-NE2 3.49Å; F95-H99 WeakPolarHBondContact CE1-NE2 3.37Å; F95-H99 AromaticContact CE2-CD2 3.71Å; F95-H99 AromaticContact CE2-NE2 3.42Å; F95-H99 WeakPolarHBondContact CE2-NE2 2.84Å; F95-H99 AromaticContact CZ-CD2 3.32Å; F95-H99 WeakPolarHBondContact CZ-CD2 3.49Å; F95-H99 AromaticContact CZ-NE2 3Å; F95-H99 WeakPolarHBondContact CZ-NE2 2.93Å; F95-H99 PolarHBondContact O-CD2 3.23Å; F95-H99 VanDerWaalsContact O-CD2 3.28Å; F95-H99 PolarHBondContact O-N 2.04Å; L96-H99 CarbonylContact O-C 3.59Å; L96-H99 PolarHBondContact O-N 3.3Å; L96-H99 VanDerWaalsContact O-N 3.15Å; N97-H99 VanDerWaalsContact C-N 3.34Å; N97-H99 PolarHBondContact O-N 3.02Å; H99-K101 PolarHBondContact O-N 3.07Å; H99-M102 PolarHBondContact O-N 3Å; H99-C103 PolarHBondContact O-N 3.03Å |
| 100 | C | 56.7 | Low | 67.6 | Low | 40 Ų | 40 | 96.8 Ų | 96.8 | 27% | 0.27 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -29.2 | 175.7 | -73.1 | 0 | 0 | 0 | 0 | 112.2 | L96 N97 M102 | L96-C100 WeakPolarHBondContact O-CB 3.29Å; L96-C100 PolarHBondContact O-N 2.98Å; L96-C100 PolarHBondContact O-SG 3.35Å; N97-C100 PolarHBondContact O-N 3.34Å; C100-M102 VanDerWaalsContact C-N 3.34Å |
| 101 | K | 54.3 | Low | 66.4 | Low | 177 Ų | 177 | 100.8 Ų | 100.8 | 77% | 0.77 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -76 | -19.7 | 172.1 | -172 | 168.1 | -176.4 | 151.3 | 0 | 113.4 | N97 Y98 H99 | N97-K101 PolarHBondContact O-N 3.39Å; Y98-K101 PolarHBondContact O-N 3.02Å; H99-K101 PolarHBondContact O-N 3.07Å |
| 102 | M | 51.5 | Low | 65.1 | Low | 114 Ų | 114 | 100.8 Ų | 100.8 | 56% | 0.562 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -94.1 | -8.3 | -178.3 | -74.3 | -171.1 | 161.5 | 0 | 0 | 114.8 | Y98 H99 C100 | Y98-M102 HydrophobicContact CD1-CE 4.22Å; Y98-M102 HydrophobicContact CD1-SD 3.94Å; Y98-M102 HydrophobicContact CE1-CE 3.35Å; Y98-M102 HydrophobicContact CE1-SD 3.43Å; Y98-M102 WeakPolarHBondContact CE1-SD 3.43Å; Y98-M102 HydrophobicContact CE2-CE 3.74Å; Y98-M102 WeakPolarHBondContact O-CG 3.03Å; Y98-M102 PolarHBondContact O-N 3.03Å; Y98-M102 WeakPolarHBondContact OH-CE 3.36Å; H99-M102 PolarHBondContact O-N 3Å; C100-M102 VanDerWaalsContact C-N 3.34Å |
| 103 | C | 41.7 | Very low | 63.6 | Low | 135 Ų | 135 | 103 Ų | 103 | 91% | 0.912 | 51% | 0.512 | S | S | * | . | trans | -94.9 | 0 | 171.5 | -78.5 | 0 | 0 | 0 | 0 | 111.6 | H99 | H99-C103 PolarHBondContact O-N 3.03Š|
Retrieved 103 of 103 residues in 83.2 ms
(Link to these results)