| 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 | 72.3 | Confident | 69.5 | Low | 193 Ų | 193 | 124.9 Ų | 124.9 | 95% | 0.951 | 62% | 0.62 | S | S | * | * | 0 | -72.2 | 0 | -151.5 | 170.8 | -82.5 | 0 | 0 | 111.4 | R3 D4 A5 | M1-R3 PolarHBondContact O-N 3.23Å; M1-D4 VanDerWaalsContact CA-OD2 3.26Å; M1-D4 WeakPolarHBondContact CA-OD2 3.28Å; M1-D4 PolarHBondContact N-OD2 2.99Å; M1-D4 WeakPolarHBondContact O-CB 3.49Å; M1-D4 PolarHBondContact O-N 2.87Å; M1-A5 PolarHBondContact O-N 3.48Å | |||
| 2 | W | 74.1 | Confident | 69.2 | Low | 143 Ų | 143 | 124.9 Ų | 124.9 | 54% | 0.542 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -55.7 | -45.2 | 177.5 | -78.9 | 114.5 | 0 | 0 | 0 | 114.6 | D4 A5 V6 L58 M61 | W2-D4 PolarHBondContact O-N 2.99Å; W2-A5 PolarHBondContact O-N 3.22Å; W2-V6 WeakPolarHBondContact O-CB 3.48Å; W2-V6 VanDerWaalsContact O-CG2 3.31Å; W2-V6 WeakPolarHBondContact O-CG2 3.47Å; W2-V6 PolarHBondContact O-N 3.41Å; W2-L58 HydrophobicContact CH2-CD1 3.91Å; W2-L58 HydrophobicContact CZ3-CD1 4.08Å; W2-M61 HydrophobicContact CH2-CG 4.19Å; W2-M61 HydrophobicContact CH2-SD 3.44Å; W2-M61 WeakPolarHBondContact CH2-SD 3.36Å; W2-M61 HydrophobicContact CZ2-CG 3.85Å; W2-M61 HydrophobicContact CZ2-SD 3.44Å; W2-M61 WeakPolarHBondContact CZ2-SD 3.42Å |
| 3 | R | 76.2 | Confident | 69.1 | Low | 224 Ų | 224 | 125.1 Ų | 125.1 | 85% | 0.845 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.2 | -32.4 | 178.2 | -138 | -173.4 | -61.1 | -104.1 | 1 | 112.6 | M1 G7 | M1-R3 PolarHBondContact O-N 3.23Å; R3-G7 PolarHBondContact O-N 3.41Å; R3-G7 VanDerWaalsContact O-N 3.09Å |
| 4 | D | 72.9 | Confident | 69.3 | Low | 107 Ų | 107 | 122 Ų | 122 | 57% | 0.572 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -74.5 | -46.2 | 178.3 | -46.2 | -48.2 | 0 | 0 | 0 | 109.5 | M1 W2 V6 G7 E8 | M1-D4 VanDerWaalsContact CA-OD2 3.26Å; M1-D4 WeakPolarHBondContact CA-OD2 3.28Å; M1-D4 PolarHBondContact N-OD2 2.99Å; M1-D4 WeakPolarHBondContact O-CB 3.49Å; M1-D4 PolarHBondContact O-N 2.87Å; W2-D4 PolarHBondContact O-N 2.99Å; D4-V6 PolarHBondContact O-N 2.99Å; D4-G7 PolarHBondContact O-N 2.86Å; D4-G7 VanDerWaalsContact O-N 3.11Å; D4-E8 PolarHBondContact O-N 2.87Å |
| 5 | A | 66.2 | Low | 69.5 | Low | 44 Ų | 44 | 119.9 Ų | 119.9 | 36% | 0.364 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.5 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1 W2 G7 E8 C9 | M1-A5 PolarHBondContact O-N 3.48Å; W2-A5 PolarHBondContact O-N 3.22Å; A5-G7 VanDerWaalsContact C-N 3.33Å; A5-E8 PolarHBondContact O-N 3.27Å; A5-C9 PolarHBondContact O-N 3.12Å |
| 6 | V | 66 | Low | 69.5 | Low | 76 Ų | 76 | 120.1 Ų | 120.1 | 46% | 0.461 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66 | -37.9 | 173.9 | 172.8 | 0 | 0 | 0 | 0 | 111 | W2 D4 E8 C9 E10 | W2-V6 WeakPolarHBondContact O-CB 3.48Å; W2-V6 VanDerWaalsContact O-CG2 3.31Å; W2-V6 WeakPolarHBondContact O-CG2 3.47Å; W2-V6 PolarHBondContact O-N 3.41Å; D4-V6 PolarHBondContact O-N 2.99Å; V6-E8 VanDerWaalsContact C-N 3.35Å; V6-E8 PolarHBondContact O-N 2.7Å; V6-C9 WeakPolarHBondContact O-CB 3.23Å; V6-C9 PolarHBondContact O-N 3.44Å; V6-C9 VanDerWaalsContact O-N 3.15Å; V6-E10 PolarHBondContact O-N 3.34Å; V6-E10 VanDerWaalsContact O-N 3.11Å |
| 7 | G | 69.2 | Low | 70.1 | Confident | 30 Ų | 30 | 118.6 Ų | 118.6 | 31% | 0.309 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.3 | -38.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | R3 D4 A5 C9 E10 E11 | R3-G7 PolarHBondContact O-N 3.41Å; R3-G7 VanDerWaalsContact O-N 3.09Å; D4-G7 PolarHBondContact O-N 2.86Å; D4-G7 VanDerWaalsContact O-N 3.11Å; A5-G7 VanDerWaalsContact C-N 3.33Å; G7-C9 VanDerWaalsContact C-N 3.27Å; G7-C9 PolarHBondContact O-N 3.41Å; G7-E10 PolarHBondContact O-N 3.04Å; G7-E11 PolarHBondContact O-N 2.95Å |
| 8 | E | 71 | Confident | 70.4 | Confident | 140 Ų | 140 | 118.7 Ų | 118.7 | 65% | 0.654 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.7 | -33.9 | 173.3 | -69.8 | -178.4 | 176.6 | 0 | 0 | 111.9 | D4 A5 V6 | D4-E8 PolarHBondContact O-N 2.87Å; A5-E8 PolarHBondContact O-N 3.27Å; V6-E8 VanDerWaalsContact C-N 3.35Å; V6-E8 PolarHBondContact O-N 2.7Å |
| 9 | C | 61.7 | Low | 70.6 | Confident | 85 Ų | 85 | 113.7 Ų | 113.7 | 57% | 0.574 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.7 | -32.2 | 174.4 | -66.2 | 0 | 0 | 0 | 0 | 113.3 | A5 V6 G7 E11 L12 | A5-C9 PolarHBondContact O-N 3.12Å; V6-C9 WeakPolarHBondContact O-CB 3.23Å; V6-C9 PolarHBondContact O-N 3.44Å; V6-C9 VanDerWaalsContact O-N 3.15Å; G7-C9 VanDerWaalsContact C-N 3.27Å; G7-C9 PolarHBondContact O-N 3.41Å; C9-E11 PolarHBondContact O-N 3.16Å; C9-L12 PolarHBondContact O-N 3.24Å |
| 10 | E | 66 | Low | 70.9 | Confident | 161 Ų | 161 | 111.3 Ų | 111.3 | 75% | 0.752 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.4 | -23.5 | 176.7 | -71.6 | -177.8 | 170.3 | 0 | 0 | 112.6 | V6 G7 L12 | V6-E10 PolarHBondContact O-N 3.34Å; V6-E10 VanDerWaalsContact O-N 3.11Å; G7-E10 PolarHBondContact O-N 3.04Å; E10-L12 VanDerWaalsContact C-N 3.34Å |
| 11 | E | 68.8 | Low | 71.5 | Confident | 171 Ų | 171 | 109.5 Ų | 109.5 | 80% | 0.799 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -11.5 | 177.5 | -156.1 | 168.7 | -159.5 | 0 | 0 | 112.7 | G7 C9 | G7-E11 PolarHBondContact O-N 2.95Å; C9-E11 PolarHBondContact O-N 3.16Å |
| 12 | L | 65.8 | Low | 71.9 | Confident | 125 Ų | 125 | 103.5 Ų | 103.5 | 65% | 0.654 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -74 | 130.7 | 173.1 | -61.4 | 178 | 0 | 0 | 0 | 109.8 | C9 E10 | C9-L12 PolarHBondContact O-N 3.24Å; E10-L12 VanDerWaalsContact C-N 3.34Å |
| 13 | D | 68.7 | Low | 72 | Confident | 127 Ų | 127 | 98 Ų | 98 | 68% | 0.679 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 141.3 | 173.5 | -78.9 | -39 | 0 | 0 | 0 | 109.9 | I15 | D13-I15 PolarHBondContact O-N 2.92Å; D13-I15 VanDerWaalsContact O-N 3.17Å |
| 14 | P | 71.7 | Confident | 72.4 | Confident | 82 Ų | 82 | 90.8 Ų | 90.8 | 53% | 0.532 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 127.6 | 175.4 | -21 | 31 | 0 | 0 | 0 | 109 | D16 Q17 E18 | P14-D16 PolarHBondContact O-N 3.45Å; P14-Q17 HydrophobicContact CB-CB 4.42Å; P14-Q17 WeakPolarHBondContact O-CA 3.31Å; P14-Q17 VanDerWaalsContact O-CB 3.3Å; P14-Q17 WeakPolarHBondContact O-CB 3.29Å; P14-Q17 PolarHBondContact O-N 3.45Å; P14-E18 PolarHBondContact O-N 3.43Å |
| 15 | I | 71.8 | Confident | 72.9 | Confident | 91 Ų | 91 | 90 Ų | 90 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -51.5 | -37.8 | 177.4 | -67 | 172.2 | 0 | 0 | 0 | 110.3 | D13 Q17 E18 V19 I46 | D13-I15 PolarHBondContact O-N 2.92Å; D13-I15 VanDerWaalsContact O-N 3.17Å; I15-Q17 PolarHBondContact O-N 2.92Å; I15-E18 PolarHBondContact O-N 2.95Å; I15-V19 HydrophobicContact CG2-CG2 4.19Å; I15-V19 VanDerWaalsContact O-CG2 3.26Å; I15-V19 WeakPolarHBondContact O-CG2 3.49Å; I15-V19 PolarHBondContact O-N 3.32Å; I15-I46 HydrophobicContact CG2-CD1 3.88Å; I15-I46 HydrophobicContact CG2-CG1 3.72Å; I15-I46 HydrophobicContact CG2-CG2 4.23Å |
| 16 | D | 70.4 | Confident | 73.4 | Confident | 122 Ų | 122 | 88.2 Ų | 88.2 | 65% | 0.652 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -56.4 | -35.2 | 176.5 | -65.8 | -40.6 | 0 | 0 | 0 | 113.7 | P14 T20 | P14-D16 PolarHBondContact O-N 3.45Å; D16-T20 WeakPolarHBondContact O-CB 3.38Å; D16-T20 PolarHBondContact O-N 3.09Å; D16-T20 PolarHBondContact O-OG1 2.85Å |
| 17 | Q | 78.7 | Confident | 74.1 | Confident | 95 Ų | 95 | 90.4 Ų | 90.4 | 44% | 0.444 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.7 | -49 | 177.9 | -177.6 | 56.2 | 55.8 | 0 | 0 | 110.3 | P14 I15 V19 T20 D21 | P14-Q17 HydrophobicContact CB-CB 4.42Å; P14-Q17 WeakPolarHBondContact O-CA 3.31Å; P14-Q17 VanDerWaalsContact O-CB 3.3Å; P14-Q17 WeakPolarHBondContact O-CB 3.29Å; P14-Q17 PolarHBondContact O-N 3.45Å; I15-Q17 PolarHBondContact O-N 2.92Å; Q17-V19 VanDerWaalsContact C-N 3.3Å; Q17-V19 PolarHBondContact O-N 3.36Å; Q17-T20 WeakPolarHBondContact O-CB 3.42Å; Q17-T20 PolarHBondContact O-N 3.04Å; Q17-T20 VanDerWaalsContact O-N 3.09Å; Q17-D21 PolarHBondContact NE2-OD1 3.29Å; Q17-D21 VanDerWaalsContact NE2-OD1 3.12Å; Q17-D21 PolarHBondContact NE2-OD2 3.43Å; Q17-D21 VanDerWaalsContact NE2-OD2 3.08Å; Q17-D21 PolarHBondContact O-N 2.77Å |
| 18 | E | 75 | Confident | 74.7 | Confident | 121 Ų | 121 | 97 Ų | 97 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.6 | -38.6 | 179.3 | -163 | 173.9 | 169.1 | 0 | 0 | 111.6 | P14 I15 D21 I22 | P14-E18 PolarHBondContact O-N 3.43Å; I15-E18 PolarHBondContact O-N 2.95Å; E18-D21 PolarHBondContact O-N 2.87Å; E18-I22 HydrophobicContact CG-CD1 4.36Å; E18-I22 VanDerWaalsContact O-CG1 3.28Å; E18-I22 WeakPolarHBondContact O-CG1 3.39Å; E18-I22 PolarHBondContact O-N 3.37Å |
| 19 | V | 74.2 | Confident | 75.1 | Confident | 24 Ų | 24 | 97.3 Ų | 97.3 | 15% | 0.145 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 172.4 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | I15 Q17 D21 I22 L23 I42 I46 | I15-V19 HydrophobicContact CG2-CG2 4.19Å; I15-V19 VanDerWaalsContact O-CG2 3.26Å; I15-V19 WeakPolarHBondContact O-CG2 3.49Å; I15-V19 PolarHBondContact O-N 3.32Å; Q17-V19 VanDerWaalsContact C-N 3.3Å; Q17-V19 PolarHBondContact O-N 3.36Å; V19-D21 VanDerWaalsContact C-N 3.29Å; V19-D21 PolarHBondContact O-N 3.43Å; V19-I22 PolarHBondContact O-N 3.19Å; V19-L23 HydrophobicContact CG1-CD1 3.94Å; V19-L23 HydrophobicContact CG1-CG 4.34Å; V19-L23 WeakPolarHBondContact O-CB 3.33Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.31Å; V19-L23 PolarHBondContact O-N 3.45Å; V19-I42 HydrophobicContact CB-CG2 4.08Å; V19-I42 HydrophobicContact CG1-CG2 3.76Å; V19-I42 HydrophobicContact CG2-CG2 3.3Å; V19-I46 HydrophobicContact CG2-CD1 3.44Å; V19-I46 VanDerWaalsContact CG2-CD1 3.44Å; V19-I46 HydrophobicContact CG2-CG1 4.26Å |
| 20 | T | 78.1 | Confident | 75.4 | Confident | 65 Ų | 65 | 94.9 Ų | 94.9 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 179 | -62.7 | 0 | 0 | 0 | 0 | 110.8 | D16 Q17 L23 N24 | D16-T20 WeakPolarHBondContact O-CB 3.38Å; D16-T20 PolarHBondContact O-N 3.09Å; D16-T20 PolarHBondContact O-OG1 2.85Å; Q17-T20 WeakPolarHBondContact O-CB 3.42Å; Q17-T20 PolarHBondContact O-N 3.04Å; Q17-T20 VanDerWaalsContact O-N 3.09Å; T20-L23 PolarHBondContact O-N 2.91Å; T20-N24 WeakPolarHBondContact O-CB 3.48Å; T20-N24 PolarHBondContact O-N 3.08Å; T20-N24 PolarHBondContact O-ND2 3.07Å; T20-N24 VanDerWaalsContact O-ND2 3.16Å |
| 21 | D | 82.3 | Confident | 75.4 | Confident | 73 Ų | 73 | 89 Ų | 89 | 39% | 0.39 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 178.8 | -68.5 | -27.7 | 0 | 0 | 0 | 111.9 | Q17 E18 V19 L23 N24 I25 | Q17-D21 PolarHBondContact NE2-OD1 3.29Å; Q17-D21 VanDerWaalsContact NE2-OD1 3.12Å; Q17-D21 PolarHBondContact NE2-OD2 3.43Å; Q17-D21 VanDerWaalsContact NE2-OD2 3.08Å; Q17-D21 PolarHBondContact O-N 2.77Å; E18-D21 PolarHBondContact O-N 2.87Å; V19-D21 VanDerWaalsContact C-N 3.29Å; V19-D21 PolarHBondContact O-N 3.43Å; D21-L23 VanDerWaalsContact C-N 3.35Å; D21-L23 PolarHBondContact O-N 3.36Å; D21-N24 PolarHBondContact O-N 3.42Å; D21-I25 VanDerWaalsContact O-CG1 3.31Å; D21-I25 WeakPolarHBondContact O-CG1 3.49Å; D21-I25 PolarHBondContact O-N 3Å |
| 22 | I | 80.5 | Confident | 75.3 | Confident | 68 Ų | 68 | 89.4 Ų | 89.4 | 35% | 0.349 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 175 | -63.9 | 163 | 0 | 0 | 0 | 111 | E18 V19 N24 I25 A26 I38 I42 | E18-I22 HydrophobicContact CG-CD1 4.36Å; E18-I22 VanDerWaalsContact O-CG1 3.28Å; E18-I22 WeakPolarHBondContact O-CG1 3.39Å; E18-I22 PolarHBondContact O-N 3.37Å; V19-I22 PolarHBondContact O-N 3.19Å; I22-N24 VanDerWaalsContact C-N 3.31Å; I22-N24 PolarHBondContact O-N 3.21Å; I22-I25 PolarHBondContact O-N 3.34Å; I22-A26 WeakPolarHBondContact O-CB 3.28Å; I22-A26 PolarHBondContact O-N 2.96Å; I22-I38 HydrophobicContact CG2-CG2 3.86Å; I22-I42 HydrophobicContact CB-CD1 3.96Å; I22-I42 HydrophobicContact CD1-CD1 4.25Å; I22-I42 HydrophobicContact CG2-CD1 3.56Å |
| 23 | L | 78 | Confident | 75.4 | Confident | 26 Ų | 26 | 86.2 Ų | 86.2 | 14% | 0.136 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64.1 | -37 | 177.1 | -72.6 | 175 | 0 | 0 | 0 | 112.1 | V19 T20 D21 A26 K27 E39 | V19-L23 HydrophobicContact CG1-CD1 3.94Å; V19-L23 HydrophobicContact CG1-CG 4.34Å; V19-L23 WeakPolarHBondContact O-CB 3.33Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.31Å; V19-L23 PolarHBondContact O-N 3.45Å; T20-L23 PolarHBondContact O-N 2.91Å; D21-L23 VanDerWaalsContact C-N 3.35Å; D21-L23 PolarHBondContact O-N 3.36Å; L23-A26 PolarHBondContact O-N 3.27Å; L23-K27 WeakPolarHBondContact O-CB 3.26Å; L23-K27 VanDerWaalsContact O-CG 3.28Å; L23-K27 WeakPolarHBondContact O-CG 3.2Å; L23-K27 PolarHBondContact O-N 3.42Å; L23-E39 HydrophobicContact CD1-CG 4.22Å; L23-E39 HydrophobicContact CD2-CB 3.72Å; L23-E39 HydrophobicContact CD2-CG 4.09Å |
| 24 | N | 83.4 | Confident | 75.4 | Confident | 73 Ų | 73 | 85.7 Ų | 85.7 | 39% | 0.39 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 175.1 | -70.9 | -28.8 | 0 | 0 | 0 | 111 | T20 D21 I22 A26 K27 E28 | T20-N24 WeakPolarHBondContact O-CB 3.48Å; T20-N24 PolarHBondContact O-N 3.08Å; T20-N24 PolarHBondContact O-ND2 3.07Å; T20-N24 VanDerWaalsContact O-ND2 3.16Å; D21-N24 PolarHBondContact O-N 3.42Å; I22-N24 VanDerWaalsContact C-N 3.31Å; I22-N24 PolarHBondContact O-N 3.21Å; N24-A26 VanDerWaalsContact C-N 3.32Å; N24-A26 PolarHBondContact O-N 3.37Å; N24-K27 WeakPolarHBondContact O-CB 3.33Å; N24-K27 PolarHBondContact O-N 2.84Å; N24-E28 WeakPolarHBondContact O-CG 3.37Å; N24-E28 PolarHBondContact O-N 2.9Å |
| 25 | I | 82.7 | Confident | 75.4 | Confident | 91 Ų | 91 | 82.2 Ų | 82.2 | 47% | 0.467 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 176 | -66.5 | 164.9 | 0 | 0 | 0 | 110.7 | D21 I22 K27 E28 L29 | D21-I25 VanDerWaalsContact O-CG1 3.31Å; D21-I25 WeakPolarHBondContact O-CG1 3.49Å; D21-I25 PolarHBondContact O-N 3Å; I22-I25 PolarHBondContact O-N 3.34Å; I25-K27 VanDerWaalsContact C-N 3.35Å; I25-K27 PolarHBondContact O-N 3.25Å; I25-E28 PolarHBondContact O-N 3.01Å; I25-L29 HydrophobicContact CG2-CD1 3.53Å; I25-L29 HydrophobicContact CG2-CG 4.05Å; I25-L29 WeakPolarHBondContact O-CB 3.3Å; I25-L29 VanDerWaalsContact O-CG 3.29Å; I25-L29 WeakPolarHBondContact O-CG 3.3Å; I25-L29 PolarHBondContact O-N 3.28Å |
| 26 | A | 77.7 | Confident | 75.5 | Confident | 7 Ų | 7 | 85.9 Ų | 85.9 | 6% | 0.058 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I22 L23 N24 E28 L29 G30 I38 | I22-A26 WeakPolarHBondContact O-CB 3.28Å; I22-A26 PolarHBondContact O-N 2.96Å; L23-A26 PolarHBondContact O-N 3.27Å; N24-A26 VanDerWaalsContact C-N 3.32Å; N24-A26 PolarHBondContact O-N 3.37Å; A26-E28 VanDerWaalsContact C-N 3.34Å; A26-L29 PolarHBondContact O-N 2.91Å; A26-G30 PolarHBondContact O-N 3.07Å; A26-I38 HydrophobicContact CB-CD1 3.55Å |
| 27 | K | 79.5 | Confident | 75.8 | Confident | 121 Ų | 121 | 85.9 Ų | 85.9 | 53% | 0.526 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 175 | -76.3 | 171.8 | -178.6 | 173.1 | 0 | 111.4 | L23 N24 I25 G31 | L23-K27 WeakPolarHBondContact O-CB 3.26Å; L23-K27 VanDerWaalsContact O-CG 3.28Å; L23-K27 WeakPolarHBondContact O-CG 3.2Å; L23-K27 PolarHBondContact O-N 3.42Å; N24-K27 WeakPolarHBondContact O-CB 3.33Å; N24-K27 PolarHBondContact O-N 2.84Å; I25-K27 VanDerWaalsContact C-N 3.35Å; I25-K27 PolarHBondContact O-N 3.25Å; K27-G31 PolarHBondContact O-N 3.37Å |
| 28 | E | 82 | Confident | 75.8 | Confident | 168 Ų | 168 | 84 Ų | 84 | 79% | 0.785 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.8 | -39.8 | 177.1 | -72.3 | -173.8 | 163.3 | 0 | 0 | 112.8 | N24 I25 A26 | N24-E28 WeakPolarHBondContact O-CG 3.37Å; N24-E28 PolarHBondContact O-N 2.9Å; I25-E28 PolarHBondContact O-N 3.01Å; A26-E28 VanDerWaalsContact C-N 3.34Å |
| 29 | L | 80.1 | Confident | 75.8 | Confident | 148 Ų | 148 | 81.5 Ų | 81.5 | 78% | 0.775 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -82.1 | -33.2 | -173.4 | -71.1 | 178.4 | 0 | 0 | 0 | 114.6 | I25 A26 | I25-L29 HydrophobicContact CG2-CD1 3.53Å; I25-L29 HydrophobicContact CG2-CG 4.05Å; I25-L29 WeakPolarHBondContact O-CB 3.3Å; I25-L29 VanDerWaalsContact O-CG 3.29Å; I25-L29 WeakPolarHBondContact O-CG 3.3Å; I25-L29 PolarHBondContact O-N 3.28Å; A26-L29 PolarHBondContact O-N 2.91Å |
| 30 | G | 69 | Low | 76 | Confident | 33 Ų | 33 | 84.7 Ų | 84.7 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -126.8 | -11.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | A26 F34 | A26-G30 PolarHBondContact O-N 3.07Å; G30-F34 VanDerWaalsContact O-CD2 3.23Å; G30-F34 WeakPolarHBondContact O-CD2 3.41Å |
| 31 | G | 65.3 | Low | 75.9 | Confident | 37 Ų | 37 | 86.1 Ų | 86.1 | 38% | 0.381 | 45% | 0.451 | S | S | . | . | trans | 72.2 | 165.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K27 G33 F34 | K27-G31 PolarHBondContact O-N 3.37Å; G31-G33 PolarHBondContact O-N 3.38Å; G31-F34 PolarHBondContact O-N 2.98Å | ||
| 32 | E | 66.9 | Low | 75.6 | Confident | 181 Ų | 181 | 83.6 Ų | 83.6 | 85% | 0.846 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -51.4 | -23.9 | -162 | -146.2 | 163.5 | -158.8 | 0 | 0 | 116 | S35 | E32-S35 PolarHBondContact O-OG 3.14Å |
| 33 | G | 67.1 | Low | 75.3 | Confident | 57 Ų | 57 | 87.2 Ų | 87.2 | 59% | 0.588 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -73.9 | -30.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | G31 | G31-G33 PolarHBondContact O-N 3.38Å |
| 34 | F | 69.3 | Low | 75.2 | Confident | 116 Ų | 116 | 92.3 Ų | 92.3 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -76.6 | -34.2 | 179.7 | -82 | -87.4 | 0 | 0 | 0 | 112.3 | G30 G31 Y36 M37 I38 | G30-F34 VanDerWaalsContact O-CD2 3.23Å; G30-F34 WeakPolarHBondContact O-CD2 3.41Å; G31-F34 PolarHBondContact O-N 2.98Å; F34-Y36 PolarHBondContact O-N 3.29Å; F34-M37 HydrophobicContact CD1-CE 4.23Å; F34-M37 PolarHBondContact O-N 2.93Å; F34-I38 PolarHBondContact O-N 3.27Å |
| 35 | S | 72.4 | Confident | 74.6 | Confident | 10 Ų | 10 | 97.2 Ų | 97.2 | 7% | 0.07 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -60.3 | -34.2 | -180 | 43.4 | 0 | 0 | 0 | 0 | 112.6 | E32 I38 E39 | E32-S35 PolarHBondContact O-OG 3.14Å; S35-I38 PolarHBondContact O-N 3.17Å; S35-E39 WeakPolarHBondContact O-CB 3.34Å; S35-E39 PolarHBondContact O-N 3.39Å |
| 36 | Y | 73.7 | Confident | 74 | Confident | 168 Ų | 168 | 94.6 Ų | 94.6 | 66% | 0.659 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.4 | -45 | -179.1 | -176.4 | -95.5 | 0 | 0 | 0 | 113 | F34 I38 E39 D40 | F34-Y36 PolarHBondContact O-N 3.29Å; Y36-I38 VanDerWaalsContact C-N 3.28Å; Y36-I38 PolarHBondContact O-N 3.29Å; Y36-E39 PolarHBondContact O-N 2.86Å; Y36-D40 PolarHBondContact O-N 3.19Å |
| 37 | M | 76.1 | Confident | 73.5 | Confident | 121 Ų | 121 | 96 Ų | 96 | 60% | 0.596 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.2 | -36.6 | 178.9 | -72.2 | -175 | -71.4 | 0 | 0 | 111.7 | F34 D41 | F34-M37 HydrophobicContact CD1-CE 4.23Å; F34-M37 PolarHBondContact O-N 2.93Å; M37-D41 PolarHBondContact O-N 3.48Å |
| 38 | I | 78.1 | Confident | 72.6 | Confident | 56 Ų | 56 | 95.8 Ų | 95.8 | 29% | 0.287 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.7 | -40.4 | 178.3 | -69.4 | 167.5 | 0 | 0 | 0 | 110.5 | I22 A26 F34 S35 Y36 D40 D41 I42 | I22-I38 HydrophobicContact CG2-CG2 3.86Å; A26-I38 HydrophobicContact CB-CD1 3.55Å; F34-I38 PolarHBondContact O-N 3.27Å; S35-I38 PolarHBondContact O-N 3.17Å; Y36-I38 VanDerWaalsContact C-N 3.28Å; Y36-I38 PolarHBondContact O-N 3.29Å; I38-D40 PolarHBondContact O-N 3.04Å; I38-D41 PolarHBondContact O-N 3.45Å; I38-I42 HydrophobicContact CG2-CD1 3.44Å; I38-I42 VanDerWaalsContact CG2-CD1 3.44Å; I38-I42 HydrophobicContact CG2-CG1 4.13Å; I38-I42 WeakPolarHBondContact O-CB 3.34Å; I38-I42 WeakPolarHBondContact O-CG1 3.36Å; I38-I42 PolarHBondContact O-N 3.13Å |
| 39 | E | 75.7 | Confident | 71.8 | Confident | 68 Ų | 68 | 90.9 Ų | 90.9 | 32% | 0.318 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 177.7 | -165.1 | -174.9 | 147.4 | 0 | 0 | 112.3 | L23 S35 Y36 R43 | L23-E39 HydrophobicContact CD1-CG 4.22Å; L23-E39 HydrophobicContact CD2-CB 3.72Å; L23-E39 HydrophobicContact CD2-CG 4.09Å; S35-E39 WeakPolarHBondContact O-CB 3.34Å; S35-E39 PolarHBondContact O-N 3.39Å; Y36-E39 PolarHBondContact O-N 2.86Å; E39-R43 VanDerWaalsContact O-CB 3.3Å; E39-R43 WeakPolarHBondContact O-CB 3.4Å; E39-R43 PolarHBondContact O-N 2.86Å; E39-R43 IonicContact OE1-CZ 3.63Å; E39-R43 IonicContact OE1-NH1 3.85Å; E39-R43 IonicContact OE1-NH2 2.7Å; E39-R43 PolarHBondContact OE1-NH2 3.18Å |
| 40 | D | 77.9 | Confident | 70.9 | Confident | 92 Ų | 92 | 90.1 Ų | 90.1 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 178.5 | -169.4 | 68.6 | 0 | 0 | 0 | 112.1 | Y36 I38 R43 K44 | Y36-D40 PolarHBondContact O-N 3.19Å; I38-D40 PolarHBondContact O-N 3.04Å; D40-R43 PolarHBondContact O-N 3.35Å; D40-K44 WeakPolarHBondContact O-CB 3.36Å; D40-K44 PolarHBondContact O-N 3.33Å |
| 41 | D | 76.6 | Confident | 70.7 | Confident | 95 Ų | 95 | 96 Ų | 96 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 177.6 | -170.6 | 67.6 | 0 | 0 | 0 | 111.5 | M37 I38 K44 R45 | M37-D41 PolarHBondContact O-N 3.48Å; I38-D41 PolarHBondContact O-N 3.45Å; D41-K44 PolarHBondContact O-N 3.33Å; D41-R45 WeakPolarHBondContact O-CG 3.42Å; D41-R45 PolarHBondContact O-N 3.11Å; D41-R45 VanDerWaalsContact O-N 3.07Å |
| 42 | I | 75.5 | Confident | 70.2 | Confident | 19 Ų | 19 | 99.9 Ų | 99.9 | 10% | 0.097 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 177.2 | -69 | 170.8 | 0 | 0 | 0 | 110.7 | V19 I22 I38 K44 R45 I46 | V19-I42 HydrophobicContact CB-CG2 4.08Å; V19-I42 HydrophobicContact CG1-CG2 3.76Å; V19-I42 HydrophobicContact CG2-CG2 3.3Å; I22-I42 HydrophobicContact CB-CD1 3.96Å; I22-I42 HydrophobicContact CD1-CD1 4.25Å; I22-I42 HydrophobicContact CG2-CD1 3.56Å; I38-I42 HydrophobicContact CG2-CD1 3.44Å; I38-I42 VanDerWaalsContact CG2-CD1 3.44Å; I38-I42 HydrophobicContact CG2-CG1 4.13Å; I38-I42 WeakPolarHBondContact O-CB 3.34Å; I38-I42 WeakPolarHBondContact O-CG1 3.36Å; I38-I42 PolarHBondContact O-N 3.13Å; I42-K44 VanDerWaalsContact C-N 3.25Å; I42-K44 PolarHBondContact O-N 3.45Å; I42-R45 PolarHBondContact O-N 3.06Å; I42-I46 HydrophobicContact CG2-CD1 3.95Å; I42-I46 HydrophobicContact CG2-CG1 4.25Å; I42-I46 WeakPolarHBondContact O-CG1 3.5Å; I42-I46 PolarHBondContact O-N 2.97Å |
| 43 | R | 74.3 | Confident | 69.7 | Low | 144 Ų | 144 | 95.5 Ų | 95.5 | 54% | 0.543 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 179.3 | -177.3 | 178.8 | -68.9 | 136.6 | 4.8 | 111.6 | E39 D40 R45 I46 G47 | E39-R43 VanDerWaalsContact O-CB 3.3Å; E39-R43 WeakPolarHBondContact O-CB 3.4Å; E39-R43 PolarHBondContact O-N 2.86Å; E39-R43 IonicContact OE1-CZ 3.63Å; E39-R43 IonicContact OE1-NH1 3.85Å; E39-R43 IonicContact OE1-NH2 2.7Å; E39-R43 PolarHBondContact OE1-NH2 3.18Å; D40-R43 PolarHBondContact O-N 3.35Å; R43-R45 VanDerWaalsContact C-N 3.33Å; R43-R45 PolarHBondContact O-N 3.33Å; R43-I46 PolarHBondContact O-N 3.49Å; R43-G47 PolarHBondContact O-N 2.95Å |
| 44 | K | 75.9 | Confident | 69.4 | Low | 134 Ų | 134 | 98.3 Ų | 98.3 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | 176.1 | -172.2 | 177.6 | 179.4 | -177.5 | 0 | 111.6 | D40 D41 I42 H48 | D40-K44 WeakPolarHBondContact O-CB 3.36Å; D40-K44 PolarHBondContact O-N 3.33Å; D41-K44 PolarHBondContact O-N 3.33Å; I42-K44 VanDerWaalsContact C-N 3.25Å; I42-K44 PolarHBondContact O-N 3.45Å; K44-H48 PolarHBondContact O-CD2 3.37Å; K44-H48 PolarHBondContact O-N 3.42Å |
| 45 | R | 70.3 | Confident | 68.9 | Low | 175 Ų | 175 | 95.7 Ų | 95.7 | 66% | 0.66 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.5 | -41.6 | 177.4 | -67.3 | -179.4 | 77.7 | -156.8 | -1.2 | 112.1 | D41 I42 R43 H48 C49 | D41-R45 WeakPolarHBondContact O-CG 3.42Å; D41-R45 PolarHBondContact O-N 3.11Å; D41-R45 VanDerWaalsContact O-N 3.07Å; I42-R45 PolarHBondContact O-N 3.06Å; R43-R45 VanDerWaalsContact C-N 3.33Å; R43-R45 PolarHBondContact O-N 3.33Å; R45-H48 PolarHBondContact O-N 3.46Å; R45-C49 PolarHBondContact O-N 3Å; R45-C49 VanDerWaalsContact O-N 3.14Å |
| 46 | I | 70.5 | Confident | 68.6 | Low | 36 Ų | 36 | 102.7 Ų | 102.7 | 19% | 0.185 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 174.8 | -58.8 | 168.6 | 0 | 0 | 0 | 110.9 | I15 V19 I42 R43 H48 C49 E50 | I15-I46 HydrophobicContact CG2-CD1 3.88Å; I15-I46 HydrophobicContact CG2-CG1 3.72Å; I15-I46 HydrophobicContact CG2-CG2 4.23Å; V19-I46 HydrophobicContact CG2-CD1 3.44Å; V19-I46 VanDerWaalsContact CG2-CD1 3.44Å; V19-I46 HydrophobicContact CG2-CG1 4.26Å; I42-I46 HydrophobicContact CG2-CD1 3.95Å; I42-I46 HydrophobicContact CG2-CG1 4.25Å; I42-I46 WeakPolarHBondContact O-CG1 3.5Å; I42-I46 PolarHBondContact O-N 2.97Å; R43-I46 PolarHBondContact O-N 3.49Å; I46-H48 PolarHBondContact O-N 2.98Å; I46-C49 CarbonylContact O-C 3.54Å; I46-C49 WeakPolarHBondContact O-CA 3.43Å; I46-C49 WeakPolarHBondContact O-CB 3.31Å; I46-C49 PolarHBondContact O-N 3.4Å; I46-E50 HydrophobicContact CG2-CG 4.36Å; I46-E50 PolarHBondContact O-N 3.2Å |
| 47 | G | 68 | Low | 68.3 | Low | 36 Ų | 36 | 101.5 Ų | 101.5 | 37% | 0.371 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -29.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R43 K51 | R43-G47 PolarHBondContact O-N 2.95Å; G47-K51 PolarHBondContact O-N 3.34Å |
| 48 | H | 60.8 | Low | 67.8 | Low | 118 Ų | 118 | 99.6 Ų | 99.6 | 55% | 0.546 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.8 | -35.6 | 169.9 | -78.5 | -63.5 | 0 | 0 | 0 | 112.8 | K44 R45 I46 L52 | K44-H48 PolarHBondContact O-CD2 3.37Å; K44-H48 PolarHBondContact O-N 3.42Å; R45-H48 PolarHBondContact O-N 3.46Å; I46-H48 PolarHBondContact O-N 2.98Å; H48-L52 PolarHBondContact O-N 2.87Å |
| 49 | C | 64 | Low | 67.4 | Low | 65 Ų | 65 | 102.6 Ų | 102.6 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.6 | -44.5 | 173.3 | -80 | 0 | 0 | 0 | 0 | 112.6 | R45 I46 K51 L52 S53 | R45-C49 PolarHBondContact O-N 3Å; R45-C49 VanDerWaalsContact O-N 3.14Å; I46-C49 CarbonylContact O-C 3.54Å; I46-C49 WeakPolarHBondContact O-CA 3.43Å; I46-C49 WeakPolarHBondContact O-CB 3.31Å; I46-C49 PolarHBondContact O-N 3.4Å; C49-K51 PolarHBondContact O-N 3.33Å; C49-L52 CarbonylContact O-C 3.58Å; C49-L52 WeakPolarHBondContact O-CA 3.39Å; C49-L52 WeakPolarHBondContact O-CB 3.1Å; C49-L52 PolarHBondContact O-N 3.15Å; C49-S53 PolarHBondContact O-N 3.44Å; C49-S53 PolarHBondContact O-OG 3.21Å |
| 50 | E | 61.6 | Low | 67.1 | Low | 132 Ų | 132 | 105.6 Ų | 105.6 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.1 | -38.9 | 176.3 | -75.3 | -172.9 | 155.4 | 0 | 0 | 111.6 | I46 L52 S53 T54 | I46-E50 HydrophobicContact CG2-CG 4.36Å; I46-E50 PolarHBondContact O-N 3.2Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 3.34Å; E50-S53 PolarHBondContact O-N 3.2Å; E50-T54 PolarHBondContact O-N 3.02Å; E50-T54 VanDerWaalsContact O-N 3.13Å; E50-T54 PolarHBondContact O-OG1 3.09Å |
| 51 | K | 64.6 | Low | 66.3 | Low | 155 Ų | 155 | 106.4 Ų | 106.4 | 67% | 0.674 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.8 | -34.4 | 175.3 | -172.6 | 170.4 | -179.9 | 178.6 | 0 | 112.6 | G47 C49 T54 | G47-K51 PolarHBondContact O-N 3.34Å; C49-K51 PolarHBondContact O-N 3.33Å; K51-T54 PolarHBondContact O-OG1 2.96Å |
| 52 | L | 54.6 | Low | 65.9 | Low | 119 Ų | 119 | 108.2 Ų | 108.2 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74.3 | -28.7 | 173.3 | -68.2 | 169.9 | 0 | 0 | 0 | 112.3 | H48 C49 E50 T54 D55 | H48-L52 PolarHBondContact O-N 2.87Å; C49-L52 CarbonylContact O-C 3.58Å; C49-L52 WeakPolarHBondContact O-CA 3.39Å; C49-L52 WeakPolarHBondContact O-CB 3.1Å; C49-L52 PolarHBondContact O-N 3.15Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 3.34Å; L52-T54 VanDerWaalsContact C-N 3.3Å; L52-D55 WeakPolarHBondContact O-CB 3.4Å; L52-D55 PolarHBondContact O-N 3.11Å |
| 53 | S | 56.3 | Low | 65.5 | Low | 90 Ų | 90 | 114.3 Ų | 114.3 | 63% | 0.629 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.9 | -26 | 175.2 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | C49 E50 D55 | C49-S53 PolarHBondContact O-N 3.44Å; C49-S53 PolarHBondContact O-OG 3.21Å; E50-S53 PolarHBondContact O-N 3.2Å; S53-D55 VanDerWaalsContact C-N 3.27Å |
| 54 | T | 60.1 | Low | 64.8 | Low | 115 Ų | 115 | 110.5 Ų | 110.5 | 71% | 0.706 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 12.9 | 170.1 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | E50 K51 L52 E56 | E50-T54 PolarHBondContact O-N 3.02Å; E50-T54 VanDerWaalsContact O-N 3.13Å; E50-T54 PolarHBondContact O-OG1 3.09Å; K51-T54 PolarHBondContact O-OG1 2.96Å; L52-T54 VanDerWaalsContact C-N 3.3Å; T54-E56 PolarHBondContact O-N 3.39Å |
| 55 | D | 59.4 | Low | 63.8 | Low | 62 Ų | 62 | 109.7 Ų | 109.7 | 33% | 0.332 | 57% | 0.565 | S | S | . | * | trans | -61.9 | 135.8 | -173.4 | -165.9 | 89.7 | 0 | 0 | 0 | 112 | L52 S53 E57 L58 | L52-D55 WeakPolarHBondContact O-CB 3.4Å; L52-D55 PolarHBondContact O-N 3.11Å; S53-D55 VanDerWaalsContact C-N 3.27Å; D55-E57 PolarHBondContact O-N 3.33Å; D55-E57 VanDerWaalsContact O-N 3.14Å; D55-E57 VanDerWaalsContact OD2-CB 3.31Å; D55-E57 WeakPolarHBondContact OD2-CB 3.31Å; D55-E57 WeakPolarHBondContact OD2-CG 3.26Å; D55-E57 PolarHBondContact OD2-N 3.14Å; D55-L58 PolarHBondContact O-N 2.96Å | ||
| 56 | E | 67.3 | Low | 63.2 | Low | 157 Ų | 157 | 108.2 Ų | 108.2 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -53.7 | -29.5 | -178.6 | -170.9 | 173 | 178.2 | 0 | 0 | 111.9 | T54 L58 E59 E60 | T54-E56 PolarHBondContact O-N 3.39Å; E56-L58 VanDerWaalsContact C-N 3.28Å; E56-L58 PolarHBondContact O-N 2.69Å; E56-E59 PolarHBondContact O-N 2.9Å; E56-E60 WeakPolarHBondContact O-CB 3.44Å; E56-E60 PolarHBondContact O-N 2.9Å |
| 57 | E | 65.9 | Low | 62.1 | Low | 143 Ų | 143 | 109.2 Ų | 109.2 | 67% | 0.668 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.7 | -36.1 | 175.1 | -72.8 | -161 | 122.8 | 0 | 0 | 112.6 | D55 M61 | D55-E57 PolarHBondContact O-N 3.33Å; D55-E57 VanDerWaalsContact O-N 3.14Å; D55-E57 VanDerWaalsContact OD2-CB 3.31Å; D55-E57 WeakPolarHBondContact OD2-CB 3.31Å; D55-E57 WeakPolarHBondContact OD2-CG 3.26Å; D55-E57 PolarHBondContact OD2-N 3.14Å; E57-M61 WeakPolarHBondContact O-CB 3.44Å; E57-M61 PolarHBondContact O-N 2.91Å |
| 58 | L | 65.9 | Low | 61 | Low | 80 Ų | 80 | 111.8 Ų | 111.8 | 42% | 0.419 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -71.6 | -41 | 177.7 | -173.7 | 68.2 | 0 | 0 | 0 | 111.1 | W2 D55 E56 M61 M62 | W2-L58 HydrophobicContact CH2-CD1 3.91Å; W2-L58 HydrophobicContact CZ3-CD1 4.08Å; D55-L58 PolarHBondContact O-N 2.96Å; E56-L58 VanDerWaalsContact C-N 3.28Å; E56-L58 PolarHBondContact O-N 2.69Å; L58-M61 PolarHBondContact O-N 3.06Å; L58-M62 WeakPolarHBondContact O-CG 3.44Å; L58-M62 PolarHBondContact O-N 3.33Å |
| 59 | E | 69.7 | Low | 60.6 | Low | 120 Ų | 120 | 113.5 Ų | 113.5 | 56% | 0.561 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.8 | -44.5 | 174 | -108.9 | -150.3 | 150.6 | 0 | 0 | 111.3 | E56 M61 M62 Q63 | E56-E59 PolarHBondContact O-N 2.9Å; E59-M61 VanDerWaalsContact C-N 3.3Å; E59-M61 PolarHBondContact O-N 3.48Å; E59-M62 HydrophobicContact CG-CE 4.4Å; E59-M62 PolarHBondContact O-N 3.16Å; E59-M62 VanDerWaalsContact O-N 3.16Å; E59-Q63 WeakPolarHBondContact O-CG 3.46Å; E59-Q63 PolarHBondContact O-N 2.99Å |
| 60 | E | 69 | Low | 60.1 | Low | 130 Ų | 130 | 115.7 Ų | 115.7 | 61% | 0.607 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60.3 | -41 | 177.2 | -173.1 | 178.1 | -171.1 | 0 | 0 | 111.3 | E56 M62 Q63 S64 | E56-E60 WeakPolarHBondContact O-CB 3.44Å; E56-E60 PolarHBondContact O-N 2.9Å; E60-M62 VanDerWaalsContact C-N 3.35Å; E60-M62 PolarHBondContact O-N 3.4Å; E60-Q63 PolarHBondContact O-N 2.83Å; E60-S64 PolarHBondContact O-N 2.84Å; E60-S64 PolarHBondContact O-OG 3.26Å |
| 61 | M | 62.7 | Low | 59.8 | Low | 109 Ų | 109 | 116 Ų | 116 | 54% | 0.537 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.7 | -35.8 | 176.9 | -160.4 | -173.8 | -58 | 0 | 0 | 112.4 | W2 E57 L58 E59 | W2-M61 HydrophobicContact CH2-CG 4.19Å; W2-M61 HydrophobicContact CH2-SD 3.44Å; W2-M61 WeakPolarHBondContact CH2-SD 3.36Å; W2-M61 HydrophobicContact CZ2-CG 3.85Å; W2-M61 HydrophobicContact CZ2-SD 3.44Å; W2-M61 WeakPolarHBondContact CZ2-SD 3.42Å; E57-M61 WeakPolarHBondContact O-CB 3.44Å; E57-M61 PolarHBondContact O-N 2.91Å; L58-M61 PolarHBondContact O-N 3.06Å; E59-M61 VanDerWaalsContact C-N 3.3Å; E59-M61 PolarHBondContact O-N 3.48Å |
| 62 | M | 67.1 | Low | 59.4 | Low | 133 Ų | 133 | 114.8 Ų | 114.8 | 66% | 0.655 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72 | -30.6 | 174.1 | -70.9 | -161.8 | -61 | 0 | 0 | 112.9 | L58 E59 E60 | L58-M62 WeakPolarHBondContact O-CG 3.44Å; L58-M62 PolarHBondContact O-N 3.33Å; E59-M62 HydrophobicContact CG-CE 4.4Å; E59-M62 PolarHBondContact O-N 3.16Å; E59-M62 VanDerWaalsContact O-N 3.16Å; E60-M62 VanDerWaalsContact C-N 3.35Å; E60-M62 PolarHBondContact O-N 3.4Å |
| 63 | Q | 67.3 | Low | 59.8 | Low | 147 Ų | 147 | 117.3 Ų | 117.3 | 69% | 0.687 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -81.7 | -23.1 | 177.3 | -70 | -155.5 | 8.6 | 0 | 0 | 113.5 | E59 E60 P65 | E59-Q63 WeakPolarHBondContact O-CG 3.46Å; E59-Q63 PolarHBondContact O-N 2.99Å; E60-Q63 PolarHBondContact O-N 2.83Å; Q63-P65 WeakPolarHBondContact O-CD 3.11Å |
| 64 | S | 58.8 | Low | 60.1 | Low | 65 Ų | 65 | 120.5 Ų | 120.5 | 46% | 0.455 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -57.9 | 108.8 | 174.8 | -66.4 | 0 | 0 | 0 | 0 | 108.8 | E60 T66 | E60-S64 PolarHBondContact O-N 2.84Å; E60-S64 PolarHBondContact O-OG 3.26Å; S64-T66 PolarHBondContact O-N 3.01Å |
| 65 | P | 55.4 | Low | 60.2 | Low | 117 Ų | 117 | 122.2 Ų | 122.2 | 76% | 0.76 | 66% | 0.662 | S | S | * | * | trans | -61 | 121.8 | 176.1 | -12.7 | 27.3 | 0 | 0 | 0 | 105.2 | Q63 G67 | Q63-P65 WeakPolarHBondContact O-CD 3.11Å; P65-G67 PolarHBondContact O-N 2.96Å | ||
| 66 | T | 57.7 | Low | 60.7 | Low | 144 Ų | 144 | 124.7 Ų | 124.7 | 88% | 0.883 | 68% | 0.679 | S | S | * | * | trans | -70 | 58.5 | 157.5 | -48.6 | 0 | 0 | 0 | 0 | 106.8 | S64 C68 | S64-T66 PolarHBondContact O-N 3.01Å; T66-C68 PolarHBondContact O-N 2.71Å | ||
| 67 | G | 48.2 | Very low | 60.5 | Low | 56 Ų | 56 | 120.4 Ų | 120.4 | 58% | 0.577 | 68% | 0.677 | S | S | * | * | trans | -77.3 | 81.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | P65 D69 | P65-G67 PolarHBondContact O-N 2.96Å; G67-D69 PolarHBondContact O-N 2.74Å | ||
| 68 | C | 44.5 | Very low | 60.2 | Low | 91 Ų | 91 | 121.6 Ų | 121.6 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | trans | -39.2 | 105.7 | 158.4 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | T66 V70 | T66-C68 PolarHBondContact O-N 2.71Å; C68-V70 HydrophobicContact CB-CG2 4.31Å; C68-V70 WeakPolarHBondContact O-CG2 3.33Å; C68-V70 PolarHBondContact O-N 2.94Å | ||
| 69 | D | 51.8 | Low | 59.9 | Low | 153 Ų | 153 | 123.7 Ų | 123.7 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -62.1 | 80.6 | 152.5 | -76.8 | -41.8 | 0 | 0 | 0 | 104.6 | G67 D71 | G67-D69 PolarHBondContact O-N 2.74Å; D69-D71 PolarHBondContact O-N 2.94Å | ||
| 70 | V | 54.9 | Low | 59.4 | Low | 112 Ų | 112 | 123.8 Ų | 123.8 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | trans | -65.2 | 99.3 | 163.1 | -126.5 | 0 | 0 | 0 | 0 | 102.4 | C68 V72 | C68-V70 HydrophobicContact CB-CG2 4.31Å; C68-V70 WeakPolarHBondContact O-CG2 3.33Å; C68-V70 PolarHBondContact O-N 2.94Å; V70-V72 VanDerWaalsContact C-N 3.32Å; V70-V72 PolarHBondContact O-N 2.79Å | ||
| 71 | D | 54.1 | Low | 58.9 | Low | 139 Ų | 139 | 123.5 Ų | 123.5 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | -44.1 | 103.3 | 169.8 | -74 | -52.5 | 0 | 0 | 0 | 107.3 | D69 M73 | D69-D71 PolarHBondContact O-N 2.94Å; D71-M73 PolarHBondContact O-N 2.77Å | ||
| 72 | V | 58 | Low | 58.7 | Low | 128 Ų | 128 | 124.4 Ų | 124.4 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -66.5 | 88.5 | 167.6 | 168.8 | 0 | 0 | 0 | 0 | 104.3 | V70 E74 | V70-V72 VanDerWaalsContact C-N 3.32Å; V70-V72 PolarHBondContact O-N 2.79Å; V72-E74 PolarHBondContact O-N 2.85Å | ||
| 73 | M | 61.7 | Low | 58.2 | Low | 172 Ų | 172 | 123.8 Ų | 123.8 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | trans | -61 | 91.5 | 157.7 | -83.8 | -175.6 | -84.7 | 0 | 0 | 105.8 | D71 D75 | D71-M73 PolarHBondContact O-N 2.77Å; M73-D75 PolarHBondContact O-N 2.87Å | ||
| 74 | E | 62.9 | Low | 57.5 | Low | 157 Ų | 157 | 122.3 Ų | 122.3 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -65.4 | 85.5 | 158.3 | -117.4 | -173.2 | 164.1 | 0 | 0 | 106.4 | V72 T76 | V72-E74 PolarHBondContact O-N 2.85Å; E74-T76 PolarHBondContact O-N 2.81Å | ||
| 75 | D | 62.4 | Low | 57.5 | Low | 151 Ų | 151 | 126.4 Ų | 126.4 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -61.6 | 83 | 160.5 | -176.2 | 39.9 | 0 | 0 | 0 | 107.2 | M73 G77 | M73-D75 PolarHBondContact O-N 2.87Å; D75-G77 PolarHBondContact O-N 2.97Å | ||
| 76 | T | 70.2 | Confident | 57.6 | Low | 115 Ų | 115 | 127.1 Ų | 127.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -79 | 68.5 | 167.8 | 38.8 | 0 | 0 | 0 | 0 | 107.6 | E74 A78 | E74-T76 PolarHBondContact O-N 2.81Å; T76-A78 PolarHBondContact O-N 3.16Å; T76-A78 VanDerWaalsContact O-N 3.16Å | ||
| 77 | G | 63.3 | Low | 57.6 | Low | 67 Ų | 67 | 125.7 Ų | 125.7 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -72.9 | 93.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | D75 | D75-G77 PolarHBondContact O-N 2.97Š| ||
| 78 | A | 59.4 | Low | 58.5 | Low | 167 Ų | 167 | 132 Ų | 132 | 100% | 1.38 | 80% | 0.8 | S | S | * | * | trans | -169.4 | 0 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T76 | T76-A78 PolarHBondContact O-N 3.16Å; T76-A78 VanDerWaalsContact O-N 3.16Å |
Retrieved 78 of 78 residues in 50.3 ms
(Link to these results)