| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 56.9 | Low | 76.1 | Confident | 136 Ų | 136 | 92.4 Ų | 92.4 | 67% | 0.67 | 47% | 0.468 | S | S | * | . | 0 | -45.1 | 0 | -70.8 | -84.4 | -149.8 | 0 | 0 | 112.2 | R3 I4 L47 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.18Å; M1-I4 PolarHBondContact O-N 3.38Å; M1-I4 VanDerWaalsContact O-N 3.15Å; M1-L47 HydrophobicContact CE-CD1 3.57Å; M1-L47 HydrophobicContact CE-CD2 3.74Å; M1-L47 HydrophobicContact CE-CG 4.28Å; M1-L47 HydrophobicContact SD-CD1 4.23Å | |||
| 2 | E | 65.4 | Low | 76.9 | Confident | 166 Ų | 166 | 84.7 Ų | 84.7 | 78% | 0.776 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -54.9 | -38.9 | -175 | -66.1 | 177.2 | 179.3 | 0 | 0 | 114.8 | I4 L5 S6 | E2-I4 PolarHBondContact O-N 3.03Å; E2-I4 VanDerWaalsContact O-N 3.12Å; E2-L5 PolarHBondContact O-N 2.96Å; E2-S6 PolarHBondContact O-N 3.33Å; E2-S6 PolarHBondContact O-OG 3.32Å |
| 3 | R | 74 | Confident | 77.5 | Confident | 154 Ų | 154 | 84.9 Ų | 84.9 | 58% | 0.581 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -51.8 | -39 | 178.5 | -174.1 | 175.2 | 177.9 | -90.5 | -6.6 | 112.7 | M1 S6 L7 E15 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.18Å; R3-S6 PolarHBondContact O-OG 3.48Å; R3-L7 WeakPolarHBondContact O-CG 3.48Å; R3-L7 PolarHBondContact O-N 2.89Å; R3-E15 IonicContact CZ-OE1 3.56Å; R3-E15 IonicContact NH1-OE1 2.76Å; R3-E15 PolarHBondContact NH1-OE1 3.17Å; R3-E15 IonicContact NH1-OE2 2.74Å; R3-E15 PolarHBondContact NH1-OE2 2.91Å; R3-E15 IonicContact NH2-OE1 3.57Å; R3-E15 PolarHBondContact NH2-OE1 2.81Å |
| 4 | I | 72.8 | Confident | 78 | Confident | 16 Ų | 16 | 83.1 Ų | 83.1 | 8% | 0.082 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -72.9 | -33.5 | -175.8 | -54.9 | 173.4 | 0 | 0 | 0 | 111.5 | M1 E2 S6 L7 L12 R36 L39 A40 I43 | M1-I4 PolarHBondContact O-N 3.38Å; M1-I4 VanDerWaalsContact O-N 3.15Å; E2-I4 PolarHBondContact O-N 3.03Å; E2-I4 VanDerWaalsContact O-N 3.12Å; I4-S6 VanDerWaalsContact C-N 3.34Å; I4-L7 PolarHBondContact O-N 3.48Å; I4-L12 HydrophobicContact CG2-CD1 4.5Å; I4-R36 HydrophobicContact CG2-CB 3.9Å; I4-R36 HydrophobicContact CG2-CG 4.06Å; I4-L39 HydrophobicContact CB-CD2 4.11Å; I4-L39 HydrophobicContact CD1-CD2 3.81Å; I4-L39 HydrophobicContact CG1-CD2 3.56Å; I4-L39 HydrophobicContact CG2-CB 4.44Å; I4-L39 HydrophobicContact CG2-CD2 3.62Å; I4-A40 VanDerWaalsContact CD1-CA 3.49Å; I4-A40 HydrophobicContact CD1-CB 3.62Å; I4-I43 HydrophobicContact CD1-CD1 4.03Å; I4-I43 HydrophobicContact CG1-CD1 4.34Å |
| 5 | L | 73.6 | Confident | 78.4 | Confident | 111 Ų | 111 | 79.4 Ų | 79.4 | 58% | 0.581 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -74.6 | -28.1 | -179.2 | -64.5 | 176.5 | 0 | 0 | 0 | 112 | E2 R36 | E2-L5 PolarHBondContact O-N 2.96Å; L5-R36 VanDerWaalsContact O-CZ 3.24Å; L5-R36 PolarHBondContact O-NH1 2.89Å; L5-R36 PolarHBondContact O-NH2 3.31Å; L5-R36 VanDerWaalsContact O-NH2 3.14Å |
| 6 | S | 77.4 | Confident | 78.9 | Confident | 90 Ų | 90 | 74.4 Ų | 74.4 | 63% | 0.629 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -83.4 | -11.5 | 175.4 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | E2 R3 I4 T8 | E2-S6 PolarHBondContact O-N 3.33Å; E2-S6 PolarHBondContact O-OG 3.32Å; R3-S6 PolarHBondContact O-OG 3.48Å; I4-S6 VanDerWaalsContact C-N 3.34Å; S6-T8 PolarHBondContact O-N 3.36Å |
| 7 | L | 78.3 | Confident | 79.2 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | trans | -63.5 | 135.2 | 178.5 | -70.7 | 167.5 | 0 | 0 | 0 | 110.4 | R3 I4 E11 L12 E15 R36 L39 | R3-L7 WeakPolarHBondContact O-CG 3.48Å; R3-L7 PolarHBondContact O-N 2.89Å; I4-L7 PolarHBondContact O-N 3.48Å; L7-E11 HydrophobicContact CB-CB 4.4Å; L7-E11 HydrophobicContact CD2-CB 3.79Å; L7-L12 HydrophobicContact CB-CB 4.4Å; L7-L12 HydrophobicContact CD1-CD1 4.34Å; L7-E15 WeakPolarHBondContact CD1-OE2 3.42Å; L7-R36 PolarHBondContact O-NH2 3.26Å; L7-L39 HydrophobicContact CD1-CD2 4.04Å | ||
| 8 | T | 84.9 | Confident | 79.5 | Confident | 75 Ų | 75 | 78.1 Ų | 78.1 | 46% | 0.46 | 40% | 0.4 | S | S | . | . | trans | -66.6 | 161.8 | 167 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | S6 D10 E11 L12 | S6-T8 PolarHBondContact O-N 3.36Å; T8-D10 VanDerWaalsContact C-N 3.27Å; T8-D10 PolarHBondContact O-N 2.99Å; T8-E11 PolarHBondContact N-OE2 3.33Å; T8-E11 PolarHBondContact O-N 2.86Å; T8-E11 WeakPolarHBondContact OG1-CB 3.32Å; T8-E11 WeakPolarHBondContact OG1-CG 3.38Å; T8-E11 PolarHBondContact OG1-N 2.94Å; T8-E11 PolarHBondContact OG1-OE2 2.88Å; T8-L12 VanDerWaalsContact O-CB 3.3Å; T8-L12 WeakPolarHBondContact O-CB 3.42Å; T8-L12 PolarHBondContact O-N 3.2Å | ||
| 9 | D | 83.8 | Confident | 79.6 | Confident | 42 Ų | 42 | 78.8 Ų | 78.8 | 23% | 0.225 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.8 | -38.8 | -179.4 | -72.4 | -18.3 | 0 | 0 | 0 | 111.8 | R13 I26 R32 | D9-R13 VanDerWaalsContact O-CG 3.24Å; D9-R13 WeakPolarHBondContact O-CG 3.32Å; D9-R13 PolarHBondContact O-N 2.9Å; D9-R13 VanDerWaalsContact O-N 3.09Å; D9-I26 HydrophobicContact CB-CB 4.34Å; D9-I26 HydrophobicContact CB-CD1 3.69Å; D9-I26 HydrophobicContact CB-CG2 4.44Å; D9-R32 IonicContact OD1-CZ 3.48Å; D9-R32 IonicContact OD1-NE 3.41Å; D9-R32 PolarHBondContact OD1-NE 2.89Å; D9-R32 IonicContact OD1-NH2 2.71Å; D9-R32 IonicContact OD2-CZ 3.51Å; D9-R32 IonicContact OD2-NE 2.74Å; D9-R32 PolarHBondContact OD2-NE 3.3Å; D9-R32 IonicContact OD2-NH2 3.45Å; D9-R32 PolarHBondContact OD2-NH2 2.89Å |
| 10 | D | 83.4 | Confident | 79.7 | Confident | 119 Ų | 119 | 77.8 Ų | 77.8 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -71.6 | -41.4 | 178.4 | -68.1 | -34 | 0 | 0 | 0 | 112.4 | T8 R13 A14 | T8-D10 VanDerWaalsContact C-N 3.27Å; T8-D10 PolarHBondContact O-N 2.99Å; D10-R13 PolarHBondContact O-N 2.82Å; D10-A14 PolarHBondContact O-N 3.45Å |
| 11 | E | 86.7 | Confident | 79.8 | Confident | 96 Ų | 96 | 77.4 Ų | 77.4 | 45% | 0.449 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 175.7 | -69 | 165.9 | 153 | 0 | 0 | 111.6 | L7 T8 R13 A14 E15 | L7-E11 HydrophobicContact CB-CB 4.4Å; L7-E11 HydrophobicContact CD2-CB 3.79Å; T8-E11 PolarHBondContact N-OE2 3.33Å; T8-E11 PolarHBondContact O-N 2.86Å; T8-E11 WeakPolarHBondContact OG1-CB 3.32Å; T8-E11 WeakPolarHBondContact OG1-CG 3.38Å; T8-E11 PolarHBondContact OG1-N 2.94Å; T8-E11 PolarHBondContact OG1-OE2 2.88Å; E11-R13 PolarHBondContact O-N 3.48Å; E11-A14 PolarHBondContact O-N 3.44Å; E11-E15 PolarHBondContact O-N 3.45Å |
| 12 | L | 85.7 | Confident | 81 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.5 | -40.1 | 174.3 | -177.2 | 69.7 | 0 | 0 | 0 | 110.6 | I4 L7 T8 L16 I26 L35 R36 L39 | I4-L12 HydrophobicContact CG2-CD1 4.5Å; L7-L12 HydrophobicContact CB-CB 4.4Å; L7-L12 HydrophobicContact CD1-CD1 4.34Å; T8-L12 VanDerWaalsContact O-CB 3.3Å; T8-L12 WeakPolarHBondContact O-CB 3.42Å; T8-L12 PolarHBondContact O-N 3.2Å; L12-L16 HydrophobicContact CG-CD1 4.31Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.09Å; L12-L16 PolarHBondContact O-N 3.47Å; L12-L16 VanDerWaalsContact O-N 3.11Å; L12-I26 HydrophobicContact CD2-CD1 4.03Å; L12-L35 HydrophobicContact CD2-CB 3.6Å; L12-L35 HydrophobicContact CD2-CD1 4.5Å; L12-L35 HydrophobicContact CG-CB 4.26Å; L12-R36 HydrophobicContact CD1-CG 3.89Å; L12-R36 HydrophobicContact CD2-CG 3.74Å; L12-R36 HydrophobicContact CG-CG 4.49Å; L12-L39 HydrophobicContact CD1-CB 4.03Å; L12-L39 HydrophobicContact CD1-CD1 4.17Å; L12-L39 HydrophobicContact CD1-CD2 4.41Å; L12-L39 HydrophobicContact CD1-CG 4.44Å |
| 13 | R | 84 | Confident | 81.8 | Confident | 88 Ų | 88 | 71.6 Ų | 71.6 | 33% | 0.332 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 177.2 | -70.2 | 178.6 | 73.6 | -157.4 | -0.3 | 112.8 | D9 D10 E11 S17 P23 I26 | D9-R13 VanDerWaalsContact O-CG 3.24Å; D9-R13 WeakPolarHBondContact O-CG 3.32Å; D9-R13 PolarHBondContact O-N 2.9Å; D9-R13 VanDerWaalsContact O-N 3.09Å; D10-R13 PolarHBondContact O-N 2.82Å; E11-R13 PolarHBondContact O-N 3.48Å; R13-S17 WeakPolarHBondContact O-CB 3.35Å; R13-S17 PolarHBondContact O-N 3.32Å; R13-S17 PolarHBondContact O-OG 3.37Å; R13-P23 HydrophobicContact CB-CG 3.73Å; R13-P23 HydrophobicContact CG-CB 4.24Å; R13-P23 HydrophobicContact CG-CG 3.62Å; R13-I26 HydrophobicContact CG-CD1 3.92Å; R13-I26 HydrophobicContact CG-CG1 4.34Å |
| 14 | A | 84.7 | Confident | 82.1 | Confident | 60 Ų | 60 | 67.5 Ų | 67.5 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D10 E11 L16 S17 E18 | D10-A14 PolarHBondContact O-N 3.45Å; E11-A14 PolarHBondContact O-N 3.44Å; A14-L16 VanDerWaalsContact C-N 3.35Å; A14-L16 PolarHBondContact O-N 2.95Å; A14-S17 WeakPolarHBondContact O-CB 3.16Å; A14-S17 PolarHBondContact O-N 3.46Å; A14-S17 VanDerWaalsContact O-N 3.14Å; A14-E18 PolarHBondContact O-N 3.16Å |
| 15 | E | 84.7 | Confident | 82.6 | Confident | 27 Ų | 27 | 70.5 Ų | 70.5 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 179.9 | -68.7 | -163.5 | 170.7 | 0 | 0 | 112.5 | R3 L7 E11 K19 L39 | R3-E15 IonicContact CZ-OE1 3.56Å; R3-E15 IonicContact NH1-OE1 2.76Å; R3-E15 PolarHBondContact NH1-OE1 3.17Å; R3-E15 IonicContact NH1-OE2 2.74Å; R3-E15 PolarHBondContact NH1-OE2 2.91Å; R3-E15 IonicContact NH2-OE1 3.57Å; R3-E15 PolarHBondContact NH2-OE1 2.81Å; L7-E15 WeakPolarHBondContact CD1-OE2 3.42Å; E11-E15 PolarHBondContact O-N 3.45Å; E15-K19 WeakPolarHBondContact O-CG 3.3Å; E15-K19 PolarHBondContact O-N 2.92Å; E15-L39 HydrophobicContact CB-CD1 3.43Å; E15-L39 VanDerWaalsContact CB-CD1 3.43Å |
| 16 | L | 85.7 | Confident | 83 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 172.6 | -79.3 | 174.7 | 0 | 0 | 0 | 111.6 | L12 A14 K19 G20 Y21 P23 L35 L39 L42 | L12-L16 HydrophobicContact CG-CD1 4.31Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.09Å; L12-L16 PolarHBondContact O-N 3.47Å; L12-L16 VanDerWaalsContact O-N 3.11Å; A14-L16 VanDerWaalsContact C-N 3.35Å; A14-L16 PolarHBondContact O-N 2.95Å; L16-K19 CarbonylContact O-C 3.02Å; L16-K19 PolarHBondContact O-N 3.1Å; L16-K19 VanDerWaalsContact O-N 3.14Å; L16-G20 PolarHBondContact O-N 3.48Å; L16-Y21 CarbonylContact C-O 3.58Å; L16-Y21 HydrophobicContact CB-CD1 4.09Å; L16-Y21 HydrophobicContact CD1-CD1 4.06Å; L16-Y21 HydrophobicContact CD1-CE1 4.37Å; L16-Y21 HydrophobicContact CD2-CD1 4.14Å; L16-Y21 HydrophobicContact CG-CD1 4.34Å; L16-Y21 PolarHBondContact O-N 2.95Å; L16-P23 HydrophobicContact CB-CG 4.02Å; L16-P23 HydrophobicContact CD1-CB 3.94Å; L16-P23 HydrophobicContact CD1-CG 4.09Å; L16-L35 HydrophobicContact CD1-CB 3.91Å; L16-L35 HydrophobicContact CD1-CD1 4.43Å; L16-L35 HydrophobicContact CD1-CD2 3.85Å; L16-L35 HydrophobicContact CD1-CG 4.27Å; L16-L39 HydrophobicContact CD2-CB 3.81Å; L16-L39 HydrophobicContact CD2-CD1 3.94Å; L16-L39 HydrophobicContact CD2-CG 4.36Å; L16-L39 HydrophobicContact CG-CB 4.25Å; L16-L39 HydrophobicContact CG-CD1 3.79Å; L16-L42 HydrophobicContact CD2-CD1 3.74Å |
| 17 | S | 84.8 | Confident | 83.3 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 32% | 0.315 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 179 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | R13 A14 K19 G20 Y21 | R13-S17 WeakPolarHBondContact O-CB 3.35Å; R13-S17 PolarHBondContact O-N 3.32Å; R13-S17 PolarHBondContact O-OG 3.37Å; A14-S17 WeakPolarHBondContact O-CB 3.16Å; A14-S17 PolarHBondContact O-N 3.46Å; A14-S17 VanDerWaalsContact O-N 3.14Å; S17-K19 PolarHBondContact O-N 2.89Å; S17-G20 PolarHBondContact O-N 2.96Å; S17-Y21 WeakPolarHBondContact CA-O 3.34Å; S17-Y21 PolarHBondContact N-O 3.38Å; S17-Y21 VanDerWaalsContact N-O 3.1Å |
| 18 | E | 83.5 | Confident | 83.7 | Confident | 169 Ų | 169 | 74.1 Ų | 74.1 | 79% | 0.79 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.2 | -35.4 | 173.5 | -172.9 | 179.7 | -174 | 0 | 0 | 111.9 | A14 G20 | A14-E18 PolarHBondContact O-N 3.16Å; E18-G20 PolarHBondContact O-N 3.31Å |
| 19 | K | 81.8 | Confident | 83.6 | Confident | 93 Ų | 93 | 75.9 Ų | 75.9 | 40% | 0.404 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 6.5 | 175.3 | -68.4 | 174.1 | 171.4 | -73.5 | 0 | 113.9 | E15 L16 S17 L42 I43 | E15-K19 WeakPolarHBondContact O-CG 3.3Å; E15-K19 PolarHBondContact O-N 2.92Å; L16-K19 CarbonylContact O-C 3.02Å; L16-K19 PolarHBondContact O-N 3.1Å; L16-K19 VanDerWaalsContact O-N 3.14Å; S17-K19 PolarHBondContact O-N 2.89Å; K19-L42 HydrophobicContact CB-CD1 4.29Å; K19-L42 HydrophobicContact CD-CB 3.81Å; K19-L42 HydrophobicContact CD-CD1 4.36Å; K19-L42 PolarHBondContact NZ-O 3.46Å; K19-L42 VanDerWaalsContact NZ-O 3.11Å; K19-I43 VanDerWaalsContact CE-CG1 3.44Å |
| 20 | G | 82.6 | Confident | 83.5 | Confident | 57 Ų | 57 | 78.7 Ų | 78.7 | 59% | 0.588 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 9.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L16 S17 E18 | L16-G20 PolarHBondContact O-N 3.48Å; S17-G20 PolarHBondContact O-N 2.96Å; E18-G20 PolarHBondContact O-N 3.31Å |
| 21 | Y | 80.5 | Confident | 83.3 | Confident | 70 Ų | 70 | 75 Ų | 75 | 28% | 0.275 | 40% | 0.401 | S | S | . | . | trans | -100.7 | 121.3 | 171.8 | -176.4 | -97.9 | 0 | 0 | 0 | 109.6 | L16 S17 P23 L35 K38 | L16-Y21 CarbonylContact C-O 3.58Å; L16-Y21 HydrophobicContact CB-CD1 4.09Å; L16-Y21 HydrophobicContact CD1-CD1 4.06Å; L16-Y21 HydrophobicContact CD1-CE1 4.37Å; L16-Y21 HydrophobicContact CD2-CD1 4.14Å; L16-Y21 HydrophobicContact CG-CD1 4.34Å; L16-Y21 PolarHBondContact O-N 2.95Å; S17-Y21 WeakPolarHBondContact CA-O 3.34Å; S17-Y21 PolarHBondContact N-O 3.38Å; S17-Y21 VanDerWaalsContact N-O 3.1Å; Y21-P23 HydrophobicContact CD1-CB 4.05Å; Y21-P23 HydrophobicContact CE1-CB 3.81Å; Y21-P23 WeakPolarHBondContact O-CD 3.34Å; Y21-L35 HydrophobicContact CE1-CD2 3.76Å; Y21-K38 HydrophobicContact CE1-CD 4.38Å; Y21-K38 HydrophobicContact CE2-CD 4.37Å; Y21-K38 PolarHBondContact OH-NZ 3.5Å | ||
| 22 | F | 83.2 | Confident | 83.2 | Confident | 173 Ų | 173 | 74 Ų | 74 | 76% | 0.759 | 39% | 0.394 | S | S | * | . | trans | -91.9 | 97.5 | 174.6 | -64.7 | -79.3 | 0 | 0 | 0 | 110 | ||||
| 23 | P | 81 | Confident | 83.2 | Confident | 8 Ų | 8 | 83.8 Ų | 83.8 | 5% | 0.052 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 143.6 | -176.4 | 26.2 | -33 | 0 | 0 | 0 | 112.1 | R13 L16 Y21 L35 | R13-P23 HydrophobicContact CB-CG 3.73Å; R13-P23 HydrophobicContact CG-CB 4.24Å; R13-P23 HydrophobicContact CG-CG 3.62Å; L16-P23 HydrophobicContact CB-CG 4.02Å; L16-P23 HydrophobicContact CD1-CB 3.94Å; L16-P23 HydrophobicContact CD1-CG 4.09Å; Y21-P23 HydrophobicContact CD1-CB 4.05Å; Y21-P23 HydrophobicContact CE1-CB 3.81Å; Y21-P23 WeakPolarHBondContact O-CD 3.34Å; P23-L35 HydrophobicContact CB-CD1 3.82Å; P23-L35 HydrophobicContact CB-CD2 3.88Å |
| 24 | P | 81.9 | Confident | 83.2 | Confident | 68 Ų | 68 | 82.7 Ų | 82.7 | 44% | 0.442 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 162.5 | 169.4 | 29.6 | -35.2 | 0 | 0 | 0 | 110.8 | I26 | P24-I26 PolarHBondContact O-N 2.9Š|
| 25 | P | 82.1 | Confident | 83.2 | Confident | 78 Ų | 78 | 80 Ų | 80 | 51% | 0.506 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 134.3 | 171.3 | -23.3 | 33.5 | 0 | 0 | 0 | 111.5 | Q27 | P25-Q27 PolarHBondContact O-N 3.02Š|
| 26 | I | 82.9 | Confident | 83.3 | Confident | 32 Ų | 32 | 81.5 Ų | 81.5 | 16% | 0.164 | 41% | 0.412 | C | S | . | . | trans | -82.6 | 108.9 | 177.7 | -60 | 175 | 0 | 0 | 0 | 107.3 | D9 L12 R13 P24 R32 L35 | D9-I26 HydrophobicContact CB-CB 4.34Å; D9-I26 HydrophobicContact CB-CD1 3.69Å; D9-I26 HydrophobicContact CB-CG2 4.44Å; L12-I26 HydrophobicContact CD2-CD1 4.03Å; R13-I26 HydrophobicContact CG-CD1 3.92Å; R13-I26 HydrophobicContact CG-CG1 4.34Å; P24-I26 PolarHBondContact O-N 2.9Å; I26-R32 HydrophobicContact CG2-CB 3.95Å; I26-L35 HydrophobicContact CD1-CD1 3.74Å; I26-L35 HydrophobicContact CG1-CD1 3.58Å | ||
| 27 | Q | 83.2 | Confident | 83.1 | Confident | 157 Ų | 157 | 86.3 Ų | 86.3 | 73% | 0.734 | 43% | 0.433 | S | S | * | . | trans | -109.5 | -31.2 | -179.2 | -63.6 | -178.6 | -0.1 | 0 | 0 | 111.5 | P25 | P25-Q27 PolarHBondContact O-N 3.02Š| ||
| 28 | D | 85.6 | Confident | 83 | Confident | 100 Ų | 100 | 88 Ų | 88 | 54% | 0.535 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -129.6 | 153.2 | -173.7 | -55.7 | -45 | 0 | 0 | 0 | 112 | V30 T31 R32 | D28-V30 PolarHBondContact O-N 2.87Å; D28-V30 VanDerWaalsContact O-N 3.14Å; D28-T31 HydrophobicContact CB-CG2 4.42Å; D28-T31 PolarHBondContact N-OG1 2.89Å; D28-T31 PolarHBondContact O-N 3.18Å; D28-T31 PolarHBondContact O-OG1 3.42Å; D28-R32 PolarHBondContact O-N 2.86Å; D28-R32 VanDerWaalsContact O-N 3.11Å |
| 29 | D | 83.1 | Confident | 82.9 | Confident | 112 Ų | 112 | 80 Ų | 80 | 60% | 0.599 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.1 | -27.9 | 175.8 | -75.8 | -40.1 | 0 | 0 | 0 | 113.3 | R32 R33 | D29-R32 WeakPolarHBondContact O-CB 3.31Å; D29-R32 PolarHBondContact O-N 3.45Å; D29-R32 IonicContact OD1-CZ 3.1Å; D29-R32 IonicContact OD1-NH1 2.71Å; D29-R32 PolarHBondContact OD1-NH1 3.4Å; D29-R33 WeakPolarHBondContact O-CB 3.28Å; D29-R33 PolarHBondContact O-N 3.41Å |
| 30 | V | 81.5 | Confident | 83 | Confident | 101 Ų | 101 | 76 Ų | 76 | 61% | 0.612 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.8 | -47.9 | 174.9 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | D28 R32 R33 I34 | D28-V30 PolarHBondContact O-N 2.87Å; D28-V30 VanDerWaalsContact O-N 3.14Å; V30-R32 VanDerWaalsContact C-N 3.31Å; V30-R32 PolarHBondContact O-N 3.45Å; V30-R33 PolarHBondContact O-N 3.27Å; V30-I34 HydrophobicContact CG1-CD1 3.94Å; V30-I34 WeakPolarHBondContact O-CG1 3.34Å; V30-I34 PolarHBondContact O-N 2.93Å |
| 31 | T | 81 | Confident | 82.7 | Confident | 41 Ų | 41 | 76.6 Ų | 76.6 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 177.2 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | D28 R33 I34 L35 | D28-T31 HydrophobicContact CB-CG2 4.42Å; D28-T31 PolarHBondContact N-OG1 2.89Å; D28-T31 PolarHBondContact O-N 3.18Å; D28-T31 PolarHBondContact O-OG1 3.42Å; T31-R33 PolarHBondContact O-N 2.96Å; T31-I34 PolarHBondContact O-N 3.43Å; T31-L35 WeakPolarHBondContact O-CB 3.46Å; T31-L35 VanDerWaalsContact O-CG 3.29Å; T31-L35 WeakPolarHBondContact O-CG 3.48Å; T31-L35 PolarHBondContact O-N 3.36Å |
| 32 | R | 83.8 | Confident | 82.5 | Confident | 76 Ų | 76 | 77.1 Ų | 77.1 | 29% | 0.287 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.5 | -47.7 | 173.7 | -177.3 | -173.1 | -70.7 | 162.7 | -7.8 | 111.9 | D9 I26 D28 D29 V30 L35 R36 | D9-R32 IonicContact OD1-CZ 3.48Å; D9-R32 IonicContact OD1-NE 3.41Å; D9-R32 PolarHBondContact OD1-NE 2.89Å; D9-R32 IonicContact OD1-NH2 2.71Å; D9-R32 IonicContact OD2-CZ 3.51Å; D9-R32 IonicContact OD2-NE 2.74Å; D9-R32 PolarHBondContact OD2-NE 3.3Å; D9-R32 IonicContact OD2-NH2 3.45Å; D9-R32 PolarHBondContact OD2-NH2 2.89Å; I26-R32 HydrophobicContact CG2-CB 3.95Å; D28-R32 PolarHBondContact O-N 2.86Å; D28-R32 VanDerWaalsContact O-N 3.11Å; D29-R32 WeakPolarHBondContact O-CB 3.31Å; D29-R32 PolarHBondContact O-N 3.45Å; D29-R32 IonicContact OD1-CZ 3.1Å; D29-R32 IonicContact OD1-NH1 2.71Å; D29-R32 PolarHBondContact OD1-NH1 3.4Å; V30-R32 VanDerWaalsContact C-N 3.31Å; V30-R32 PolarHBondContact O-N 3.45Å; R32-L35 PolarHBondContact O-N 3.3Å; R32-R36 WeakPolarHBondContact O-CB 3.37Å; R32-R36 VanDerWaalsContact O-CG 3.3Å; R32-R36 WeakPolarHBondContact O-CG 3.43Å; R32-R36 PolarHBondContact O-N 3.34Å |
| 33 | R | 85.4 | Confident | 82.1 | Confident | 204 Ų | 204 | 72.8 Ų | 72.8 | 77% | 0.77 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 179.3 | -172.3 | 177.2 | -178.6 | -177.9 | -1.1 | 112.2 | D29 V30 T31 R36 K37 | D29-R33 WeakPolarHBondContact O-CB 3.28Å; D29-R33 PolarHBondContact O-N 3.41Å; V30-R33 PolarHBondContact O-N 3.27Å; T31-R33 PolarHBondContact O-N 2.96Å; R33-R36 PolarHBondContact O-N 3.01Å; R33-K37 PolarHBondContact O-N 3.41Å |
| 34 | I | 83.4 | Confident | 81.5 | Confident | 65 Ų | 65 | 75.1 Ų | 75.1 | 33% | 0.333 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 177.9 | -67.4 | 167.8 | 0 | 0 | 0 | 110.5 | V30 T31 R36 K37 K38 | V30-I34 HydrophobicContact CG1-CD1 3.94Å; V30-I34 WeakPolarHBondContact O-CG1 3.34Å; V30-I34 PolarHBondContact O-N 2.93Å; T31-I34 PolarHBondContact O-N 3.43Å; I34-R36 PolarHBondContact O-N 2.94Å; I34-K37 WeakPolarHBondContact O-CB 3.38Å; I34-K37 PolarHBondContact O-N 2.9Å; I34-K38 WeakPolarHBondContact O-CG 3.35Å; I34-K38 PolarHBondContact O-N 3.01Å |
| 35 | L | 85.8 | Confident | 80.7 | Confident | 5 Ų | 5 | 77.1 Ų | 77.1 | 3% | 0.026 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | -179.9 | -70 | -176 | 0 | 0 | 0 | 112.3 | L12 L16 Y21 P23 I26 T31 R32 K38 L39 | L12-L35 HydrophobicContact CD2-CB 3.6Å; L12-L35 HydrophobicContact CD2-CD1 4.5Å; L12-L35 HydrophobicContact CG-CB 4.26Å; L16-L35 HydrophobicContact CD1-CB 3.91Å; L16-L35 HydrophobicContact CD1-CD1 4.43Å; L16-L35 HydrophobicContact CD1-CD2 3.85Å; L16-L35 HydrophobicContact CD1-CG 4.27Å; Y21-L35 HydrophobicContact CE1-CD2 3.76Å; P23-L35 HydrophobicContact CB-CD1 3.82Å; P23-L35 HydrophobicContact CB-CD2 3.88Å; I26-L35 HydrophobicContact CD1-CD1 3.74Å; I26-L35 HydrophobicContact CG1-CD1 3.58Å; T31-L35 WeakPolarHBondContact O-CB 3.46Å; T31-L35 VanDerWaalsContact O-CG 3.29Å; T31-L35 WeakPolarHBondContact O-CG 3.48Å; T31-L35 PolarHBondContact O-N 3.36Å; R32-L35 PolarHBondContact O-N 3.3Å; L35-K38 PolarHBondContact O-N 2.97Å; L35-L39 PolarHBondContact O-N 3.38Å |
| 36 | R | 85.7 | Confident | 79.3 | Confident | 57 Ų | 57 | 77.9 Ų | 77.9 | 22% | 0.215 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 171.9 | -74.1 | 175.6 | 177.9 | 179 | -4.1 | 112 | I4 L5 L7 L12 R32 R33 I34 L39 A40 | I4-R36 HydrophobicContact CG2-CB 3.9Å; I4-R36 HydrophobicContact CG2-CG 4.06Å; L5-R36 VanDerWaalsContact O-CZ 3.24Å; L5-R36 PolarHBondContact O-NH1 2.89Å; L5-R36 PolarHBondContact O-NH2 3.31Å; L5-R36 VanDerWaalsContact O-NH2 3.14Å; L7-R36 PolarHBondContact O-NH2 3.26Å; L12-R36 HydrophobicContact CD1-CG 3.89Å; L12-R36 HydrophobicContact CD2-CG 3.74Å; L12-R36 HydrophobicContact CG-CG 4.49Å; R32-R36 WeakPolarHBondContact O-CB 3.37Å; R32-R36 VanDerWaalsContact O-CG 3.3Å; R32-R36 WeakPolarHBondContact O-CG 3.43Å; R32-R36 PolarHBondContact O-N 3.34Å; R33-R36 PolarHBondContact O-N 3.01Å; I34-R36 PolarHBondContact O-N 2.94Å; R36-L39 PolarHBondContact O-N 3.42Å; R36-A40 PolarHBondContact O-N 2.88Å |
| 37 | K | 82.9 | Confident | 77.7 | Confident | 102 Ų | 102 | 79 Ų | 79 | 44% | 0.443 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 175.5 | -169.9 | 177.8 | -179.6 | -177.4 | 0 | 111.2 | R33 I34 A40 L41 | R33-K37 PolarHBondContact O-N 3.41Å; I34-K37 WeakPolarHBondContact O-CB 3.38Å; I34-K37 PolarHBondContact O-N 2.9Å; K37-A40 WeakPolarHBondContact O-CB 3.42Å; K37-A40 PolarHBondContact O-N 2.89Å; K37-L41 HydrophobicContact CG-CD1 4.43Å; K37-L41 WeakPolarHBondContact O-CG 3.49Å; K37-L41 PolarHBondContact O-N 2.85Å |
| 38 | K | 82.1 | Confident | 76.1 | Confident | 80 Ų | 80 | 77.2 Ų | 77.2 | 35% | 0.348 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 175.5 | -74 | -167.5 | 178.7 | -162.1 | 0 | 112.1 | Y21 I34 L35 A40 L41 L42 | Y21-K38 HydrophobicContact CE1-CD 4.38Å; Y21-K38 HydrophobicContact CE2-CD 4.37Å; Y21-K38 PolarHBondContact OH-NZ 3.5Å; I34-K38 WeakPolarHBondContact O-CG 3.35Å; I34-K38 PolarHBondContact O-N 3.01Å; L35-K38 PolarHBondContact O-N 2.97Å; K38-A40 VanDerWaalsContact C-N 3.32Å; K38-A40 PolarHBondContact O-N 3.26Å; K38-L41 PolarHBondContact O-N 3.16Å; K38-L42 WeakPolarHBondContact O-CG 3.32Å; K38-L42 PolarHBondContact O-N 2.98Å |
| 39 | L | 82.2 | Confident | 74.5 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 177.7 | -172.3 | 120.2 | 0 | 0 | 0 | 111.5 | I4 L7 L12 E15 L16 L35 R36 L41 L42 I43 | I4-L39 HydrophobicContact CB-CD2 4.11Å; I4-L39 HydrophobicContact CD1-CD2 3.81Å; I4-L39 HydrophobicContact CG1-CD2 3.56Å; I4-L39 HydrophobicContact CG2-CB 4.44Å; I4-L39 HydrophobicContact CG2-CD2 3.62Å; L7-L39 HydrophobicContact CD1-CD2 4.04Å; L12-L39 HydrophobicContact CD1-CB 4.03Å; L12-L39 HydrophobicContact CD1-CD1 4.17Å; L12-L39 HydrophobicContact CD1-CD2 4.41Å; L12-L39 HydrophobicContact CD1-CG 4.44Å; E15-L39 HydrophobicContact CB-CD1 3.43Å; E15-L39 VanDerWaalsContact CB-CD1 3.43Å; L16-L39 HydrophobicContact CD2-CB 3.81Å; L16-L39 HydrophobicContact CD2-CD1 3.94Å; L16-L39 HydrophobicContact CD2-CG 4.36Å; L16-L39 HydrophobicContact CG-CB 4.25Å; L16-L39 HydrophobicContact CG-CD1 3.79Å; L35-L39 PolarHBondContact O-N 3.38Å; R36-L39 PolarHBondContact O-N 3.42Å; L39-L41 PolarHBondContact O-N 2.98Å; L39-L42 PolarHBondContact O-N 2.83Å; L39-I43 HydrophobicContact CD2-CD1 3.53Å; L39-I43 HydrophobicContact CG-CD1 4.03Å; L39-I43 WeakPolarHBondContact O-CG1 3.47Å; L39-I43 PolarHBondContact O-N 3.33Å |
| 40 | A | 82.4 | Confident | 72.7 | Confident | 9 Ų | 9 | 78.2 Ų | 78.2 | 7% | 0.074 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I4 R36 K37 K38 L42 I43 D44 | I4-A40 VanDerWaalsContact CD1-CA 3.49Å; I4-A40 HydrophobicContact CD1-CB 3.62Å; R36-A40 PolarHBondContact O-N 2.88Å; K37-A40 WeakPolarHBondContact O-CB 3.42Å; K37-A40 PolarHBondContact O-N 2.89Å; K38-A40 VanDerWaalsContact C-N 3.32Å; K38-A40 PolarHBondContact O-N 3.26Å; A40-L42 VanDerWaalsContact C-N 3.32Å; A40-L42 PolarHBondContact O-N 2.87Å; A40-I43 PolarHBondContact O-N 3.38Å; A40-D44 PolarHBondContact O-N 3.36Å |
| 41 | L | 78 | Confident | 71.3 | Confident | 70 Ų | 70 | 80.5 Ų | 80.5 | 37% | 0.366 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.5 | -33.2 | 176.9 | -69.3 | 169.8 | 0 | 0 | 0 | 113.1 | K37 K38 L39 D44 P45 I49 | K37-L41 HydrophobicContact CG-CD1 4.43Å; K37-L41 WeakPolarHBondContact O-CG 3.49Å; K37-L41 PolarHBondContact O-N 2.85Å; K38-L41 PolarHBondContact O-N 3.16Å; L39-L41 PolarHBondContact O-N 2.98Å; L41-D44 CarbonylContact O-C 3.55Å; L41-P45 VanDerWaalsContact O-CA 3.3Å; L41-P45 WeakPolarHBondContact O-CA 3.3Å; L41-I49 HydrophobicContact CD2-CD1 4.46Å |
| 42 | L | 74.8 | Confident | 69.6 | Low | 81 Ų | 81 | 83.9 Ų | 83.9 | 42% | 0.424 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -79.3 | -20 | 177.3 | -70.6 | 168.5 | 0 | 0 | 0 | 113.7 | L16 K19 K38 L39 A40 | L16-L42 HydrophobicContact CD2-CD1 3.74Å; K19-L42 HydrophobicContact CB-CD1 4.29Å; K19-L42 HydrophobicContact CD-CB 3.81Å; K19-L42 HydrophobicContact CD-CD1 4.36Å; K19-L42 PolarHBondContact NZ-O 3.46Å; K19-L42 VanDerWaalsContact NZ-O 3.11Å; K38-L42 WeakPolarHBondContact O-CG 3.32Å; K38-L42 PolarHBondContact O-N 2.98Å; L39-L42 PolarHBondContact O-N 2.83Å; A40-L42 VanDerWaalsContact C-N 3.32Å; A40-L42 PolarHBondContact O-N 2.87Å |
| 43 | I | 76 | Confident | 67.8 | Low | 83 Ų | 83 | 85.4 Ų | 85.4 | 43% | 0.426 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -82.3 | -45.7 | 173.1 | -70.4 | 170.8 | 0 | 0 | 0 | 109.2 | I4 K19 L39 A40 | I4-I43 HydrophobicContact CD1-CD1 4.03Å; I4-I43 HydrophobicContact CG1-CD1 4.34Å; K19-I43 VanDerWaalsContact CE-CG1 3.44Å; L39-I43 HydrophobicContact CD2-CD1 3.53Å; L39-I43 HydrophobicContact CG-CD1 4.03Å; L39-I43 WeakPolarHBondContact O-CG1 3.47Å; L39-I43 PolarHBondContact O-N 3.33Å; A40-I43 PolarHBondContact O-N 3.38Å |
| 44 | D | 67.9 | Low | 65.9 | Low | 57 Ų | 57 | 84.6 Ų | 84.6 | 31% | 0.305 | 45% | 0.448 | S | S | . | . | trans | -134.6 | 89.4 | -177.1 | -175.8 | 0.8 | 0 | 0 | 0 | 109.6 | A40 L41 S46 L47 | A40-D44 PolarHBondContact O-N 3.36Å; L41-D44 CarbonylContact O-C 3.55Å; D44-S46 PolarHBondContact O-N 2.99Å; D44-S46 WeakPolarHBondContact OD1-CB 3.37Å; D44-S46 PolarHBondContact OD1-N 2.85Å; D44-S46 PolarHBondContact OD1-OG 3.47Å; D44-L47 HydrophobicContact CB-CD1 3.84Å; D44-L47 HydrophobicContact CB-CG 4.34Å; D44-L47 PolarHBondContact O-N 2.85Å; D44-L47 WeakPolarHBondContact OD2-CD1 3.33Å; D44-L47 WeakPolarHBondContact OD2-CG 3.32Å | ||
| 45 | P | 64.4 | Low | 63.7 | Low | 109 Ų | 109 | 87.4 Ų | 87.4 | 71% | 0.708 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -8.2 | 178 | 29.3 | -34.9 | 0 | 0 | 0 | 112.4 | L41 L47 | L41-P45 VanDerWaalsContact O-CA 3.3Å; L41-P45 WeakPolarHBondContact O-CA 3.3Å; P45-L47 VanDerWaalsContact C-N 3.35Å |
| 46 | S | 53.2 | Low | 62.1 | Low | 94 Ų | 94 | 92.8 Ų | 92.8 | 66% | 0.657 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -13.4 | 175.9 | 80.8 | 0 | 0 | 0 | 0 | 113 | D44 V48 | D44-S46 PolarHBondContact O-N 2.99Å; D44-S46 WeakPolarHBondContact OD1-CB 3.37Å; D44-S46 PolarHBondContact OD1-N 2.85Å; D44-S46 PolarHBondContact OD1-OG 3.47Å; S46-V48 PolarHBondContact O-N 2.99Å |
| 47 | L | 50.4 | Low | 60.3 | Low | 56 Ų | 56 | 97 Ų | 97 | 29% | 0.293 | 53% | 0.526 | S | S | . | . | trans | -70.3 | 80.9 | 165.3 | -79.7 | 161.1 | 0 | 0 | 0 | 108.8 | M1 D44 P45 I49 | M1-L47 HydrophobicContact CE-CD1 3.57Å; M1-L47 HydrophobicContact CE-CD2 3.74Å; M1-L47 HydrophobicContact CE-CG 4.28Å; M1-L47 HydrophobicContact SD-CD1 4.23Å; D44-L47 HydrophobicContact CB-CD1 3.84Å; D44-L47 HydrophobicContact CB-CG 4.34Å; D44-L47 PolarHBondContact O-N 2.85Å; D44-L47 WeakPolarHBondContact OD2-CD1 3.33Å; D44-L47 WeakPolarHBondContact OD2-CG 3.32Å; P45-L47 VanDerWaalsContact C-N 3.35Å; L47-I49 HydrophobicContact CB-CG1 4.29Å; L47-I49 PolarHBondContact O-N 3.25Å | ||
| 48 | V | 49.4 | Very low | 58.6 | Low | 119 Ų | 119 | 97.4 Ų | 97.4 | 72% | 0.721 | 54% | 0.542 | S | S | * | . | trans | -60.6 | 85.8 | 152.8 | -177.9 | 0 | 0 | 0 | 0 | 105.1 | S46 E50 | S46-V48 PolarHBondContact O-N 2.99Å; V48-E50 HydrophobicContact CG1-CG 4.2Å; V48-E50 PolarHBondContact O-N 3.46Å | ||
| 49 | I | 51.8 | Low | 56.9 | Low | 68 Ų | 68 | 98.7 Ų | 98.7 | 35% | 0.349 | 56% | 0.561 | S | S | . | * | trans | -68.3 | 89.3 | 165.5 | -59 | 171 | 0 | 0 | 0 | 103.4 | L41 L47 E51 | L41-I49 HydrophobicContact CD2-CD1 4.46Å; L47-I49 HydrophobicContact CB-CG1 4.29Å; L47-I49 PolarHBondContact O-N 3.25Å; I49-E51 VanDerWaalsContact C-N 3.33Å; I49-E51 PolarHBondContact O-N 2.98Å | ||
| 50 | E | 45.8 | Very low | 55.1 | Low | 166 Ų | 166 | 105.5 Ų | 105.5 | 78% | 0.776 | 60% | 0.597 | S | S | * | * | trans | -48 | 107.5 | 163.5 | -71 | -179.3 | 179.1 | 0 | 0 | 105.6 | V48 P52 | V48-E50 HydrophobicContact CG1-CG 4.2Å; V48-E50 PolarHBondContact O-N 3.46Å; E50-P52 WeakPolarHBondContact O-CD 3.49Å; E50-P52 VanDerWaalsContact O-N 3.14Å | ||
| 51 | E | 50.7 | Low | 53.2 | Low | 149 Ų | 149 | 112.1 Ų | 112.1 | 70% | 0.696 | 63% | 0.631 | S | S | * | * | trans | -57.8 | 112.7 | 173.9 | 179 | 168.7 | -159.6 | 0 | 0 | 106.4 | I49 V53 | I49-E51 VanDerWaalsContact C-N 3.33Å; I49-E51 PolarHBondContact O-N 2.98Å; E51-V53 VanDerWaalsContact C-N 3.26Å; E51-V53 PolarHBondContact O-N 3.42Å | ||
| 52 | P | 45.2 | Very low | 51.6 | Low | 111 Ų | 111 | 113.9 Ų | 113.9 | 72% | 0.721 | 65% | 0.65 | S | S | * | * | trans | -63.9 | 106.4 | 162.2 | 27.1 | -28.9 | 0 | 0 | 0 | 104.3 | E50 Q54 | E50-P52 WeakPolarHBondContact O-CD 3.49Å; E50-P52 VanDerWaalsContact O-N 3.14Å; P52-Q54 VanDerWaalsContact C-N 3.28Å; P52-Q54 PolarHBondContact O-N 3.32Å | ||
| 53 | V | 45.9 | Very low | 50.1 | Low | 108 Ų | 108 | 116.7 Ų | 116.7 | 66% | 0.655 | 67% | 0.665 | S | S | * | * | trans | -46.6 | 103.8 | 166.9 | 178.9 | 0 | 0 | 0 | 0 | 104.9 | E51 D55 | E51-V53 VanDerWaalsContact C-N 3.26Å; E51-V53 PolarHBondContact O-N 3.42Å; V53-D55 PolarHBondContact O-N 3.41Å | ||
| 54 | Q | 45.7 | Very low | 48.4 | Very low | 187 Ų | 187 | 119.2 Ų | 119.2 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | trans | -76.9 | 84.5 | 177.1 | -151.1 | 178.4 | -0.9 | 0 | 0 | 103.9 | P52 P56 | P52-Q54 VanDerWaalsContact C-N 3.28Å; P52-Q54 PolarHBondContact O-N 3.32Å; Q54-P56 VanDerWaalsContact O-CD 3.29Å; Q54-P56 WeakPolarHBondContact O-CD 3.37Å; Q54-P56 VanDerWaalsContact O-N 3.1Å | ||
| 55 | D | 37.6 | Very low | 47.3 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | trans | -49.5 | 117.3 | 174.9 | -71.2 | -41.6 | 0 | 0 | 0 | 107.6 | V53 D57 | V53-D55 PolarHBondContact O-N 3.41Å; D55-D57 PolarHBondContact O-N 3.49Å; D55-D57 VanDerWaalsContact O-N 3.1Å | ||
| 56 | P | 52.7 | Low | 46.2 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -73.4 | 5 | -178.5 | 28.5 | -32.7 | 0 | 0 | 0 | 113.4 | Q54 | Q54-P56 VanDerWaalsContact O-CD 3.29Å; Q54-P56 WeakPolarHBondContact O-CD 3.37Å; Q54-P56 VanDerWaalsContact O-N 3.1Å |
| 57 | D | 47.5 | Very low | 45.8 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 78% | 0.781 | 72% | 0.721 | S | S | * | * | trans | -110 | 54.1 | -173.5 | -75.4 | -13.5 | 0 | 0 | 0 | 112.9 | D55 | D55-D57 PolarHBondContact O-N 3.49Å; D55-D57 VanDerWaalsContact O-N 3.1Å | ||
| 58 | S | 47.8 | Very low | 45.6 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -116.5 | 57.8 | 155.8 | 80.4 | 0 | 0 | 0 | 0 | 110.3 | D60 | S58-D60 PolarHBondContact O-N 2.95Š| ||
| 59 | S | 45.1 | Very low | 45.5 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | -82.8 | 69.3 | 158.8 | 67.8 | 0 | 0 | 0 | 0 | 109 | N61 | S59-N61 VanDerWaalsContact C-N 3.33Å; S59-N61 PolarHBondContact O-N 3.45Å | ||
| 60 | D | 46.1 | Very low | 44.9 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -96 | 76.9 | 162.4 | -151.9 | 2.9 | 0 | 0 | 0 | 107.8 | S58 S62 | S58-D60 PolarHBondContact O-N 2.95Å; D60-S62 PolarHBondContact O-N 3.15Å | ||
| 61 | N | 42.4 | Very low | 45 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -66.5 | 87.9 | 160.9 | -90.8 | -10.3 | 0 | 0 | 0 | 106.5 | S59 | S59-N61 VanDerWaalsContact C-N 3.33Å; S59-N61 PolarHBondContact O-N 3.45Å | ||
| 62 | S | 42.8 | Very low | 44.5 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -87.5 | 114.1 | 156.6 | 58.1 | 0 | 0 | 0 | 0 | 108.2 | D60 | D60-S62 PolarHBondContact O-N 3.15Š| ||
| 63 | D | 43.7 | Very low | 44.5 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | -60 | 167.5 | -177.1 | -87.5 | -45 | 0 | 0 | 0 | 114.5 | ||||
| 64 | T | 40.1 | Very low | 44.6 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | 81.3 | 117.1 | 158.7 | 57.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 65 | S | 45.1 | Very low | 44.6 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | cis | -165.8 | 134.5 | 47.1 | 37.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 66 | D | 41.4 | Very low | 45.1 | Very low | 160 Ų | 160 | 136 Ų | 136 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | 42.3 | 93.3 | 138.4 | -54.2 | -31 | 0 | 0 | 0 | 120.9 | ||||
| 67 | A | 45.6 | Very low | 44.5 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -150.8 | 105.3 | 138.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 68 | A | 45 | Very low | 44.3 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -48.9 | 131.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 69 | K | 48.1 | Very low | 44.1 | Very low | 200 Ų | 200 | 140.9 Ų | 140.9 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -159.1 | 100.7 | 142.9 | -110.3 | 168 | -170 | 176.6 | 0 | 110 | T71 | K69-T71 PolarHBondContact O-N 3.42Å; K69-T71 VanDerWaalsContact O-N 3.15Å | ||
| 70 | D | 39.8 | Very low | 44.1 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -46.2 | 112.8 | 162.9 | -68.9 | -53.7 | 0 | 0 | 0 | 111 | ||||
| 71 | T | 46 | Very low | 44.2 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -157.1 | 72.8 | 145.7 | 26 | 0 | 0 | 0 | 0 | 107 | K69 V73 | K69-T71 PolarHBondContact O-N 3.42Å; K69-T71 VanDerWaalsContact O-N 3.15Å; T71-V73 PolarHBondContact O-N 3.42Å | ||
| 72 | S | 42.2 | Very low | 44.4 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -67.4 | 71.3 | 164.4 | -179.8 | 0 | 0 | 0 | 0 | 109 | R74 | S72-R74 PolarHBondContact O-N 3.37Š| ||
| 73 | V | 44.4 | Very low | 44.9 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -87.2 | 91.9 | 169.6 | -177.2 | 0 | 0 | 0 | 0 | 106.3 | T71 S75 | T71-V73 PolarHBondContact O-N 3.42Å; V73-S75 PolarHBondContact O-N 2.73Å | ||
| 74 | R | 47 | Very low | 44.9 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 39.1 | 89.7 | 143.9 | -167.4 | 177.9 | -172.6 | 123.5 | 0.4 | 113.3 | S72 R76 | S72-R74 PolarHBondContact O-N 3.37Å; R74-R76 HydrophobicContact CG-CG 4.4Å; R74-R76 PolarHBondContact O-N 3.39Å | ||
| 75 | S | 45.7 | Very low | 45.1 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -57.2 | 81.5 | 159.1 | 49.5 | 0 | 0 | 0 | 0 | 109.2 | V73 N77 | V73-S75 PolarHBondContact O-N 2.73Å; S75-N77 PolarHBondContact O-N 2.77Å | ||
| 76 | R | 47.9 | Very low | 45.1 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -64.1 | 94.9 | 159.3 | -94.1 | -178.7 | 169.1 | 144.5 | -3.7 | 105 | R74 R78 | R74-R76 HydrophobicContact CG-CG 4.4Å; R74-R76 PolarHBondContact O-N 3.39Å; R76-R78 PolarHBondContact O-N 2.89Å | ||
| 77 | N | 42 | Very low | 45.5 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | 5.1 | 91.3 | 144.5 | -165.2 | 4.3 | 0 | 0 | 0 | 109.9 | S75 V79 | S75-N77 PolarHBondContact O-N 2.77Å; N77-V79 PolarHBondContact O-N 2.84Å | ||
| 78 | R | 43.2 | Very low | 45.7 | Very low | 233 Ų | 233 | 143.3 Ų | 143.3 | 88% | 0.879 | 74% | 0.736 | S | S | * | * | trans | -57.1 | 101.6 | 170.9 | -81.3 | 180 | 171.5 | 172.1 | -2.8 | 103.9 | R76 R80 | R76-R78 PolarHBondContact O-N 2.89Å; R78-R80 PolarHBondContact O-N 2.73Å | ||
| 79 | V | 43.1 | Very low | 45.9 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 63% | 0.63 | 73% | 0.729 | S | S | * | * | trans | -48.9 | 102.7 | 161.2 | 174.8 | 0 | 0 | 0 | 0 | 103.1 | N77 F81 | N77-V79 PolarHBondContact O-N 2.84Å; V79-F81 HydrophobicContact CB-CD2 4.36Å; V79-F81 HydrophobicContact CG1-CD2 3.66Å; V79-F81 HydrophobicContact CG1-CE2 3.77Å; V79-F81 HydrophobicContact CG1-CG 4.5Å; V79-F81 PolarHBondContact O-N 2.96Å | ||
| 80 | R | 45.6 | Very low | 46 | Very low | 229 Ų | 229 | 143.1 Ų | 143.1 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | trans | -58.2 | 88.9 | 162.4 | -94.2 | -175.5 | 174.7 | 172.1 | -2.5 | 103.5 | R78 S82 | R78-R80 PolarHBondContact O-N 2.73Å; R80-S82 PolarHBondContact O-N 3.29Å | ||
| 81 | F | 47.1 | Very low | 46.6 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | trans | -64.8 | 84.2 | 146.3 | -88.6 | -85.5 | 0 | 0 | 0 | 103.9 | V79 E83 | V79-F81 HydrophobicContact CB-CD2 4.36Å; V79-F81 HydrophobicContact CG1-CD2 3.66Å; V79-F81 HydrophobicContact CG1-CE2 3.77Å; V79-F81 HydrophobicContact CG1-CG 4.5Å; V79-F81 PolarHBondContact O-N 2.96Å; F81-E83 PolarHBondContact O-N 3.37Å | ||
| 82 | S | 46.8 | Very low | 47.1 | Very low | 97 Ų | 97 | 139 Ų | 139 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | trans | -60.2 | 83.2 | 148.8 | -54.1 | 0 | 0 | 0 | 0 | 104.5 | R80 | R80-S82 PolarHBondContact O-N 3.29Š| ||
| 83 | E | 52.7 | Low | 47.9 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | trans | -54.3 | 123.7 | 167.1 | -169 | 175.7 | -177.2 | 0 | 0 | 105.8 | F81 Q85 | F81-E83 PolarHBondContact O-N 3.37Å; E83-Q85 PolarHBondContact O-N 3.1Å | ||
| 84 | P | 45.1 | Very low | 48.7 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | trans | -75.2 | 72.1 | -170.8 | 30.3 | -33.8 | 0 | 0 | 0 | 109.8 | E86 T87 | P84-E86 PolarHBondContact O-N 3.33Å; P84-T87 PolarHBondContact O-OG1 3.14Å | ||
| 85 | Q | 43.7 | Very low | 49.5 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 52% | 0.519 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | -2.3 | 176.1 | -76.9 | -156.6 | 5.9 | 0 | 0 | 113.6 | E83 T87 | E83-Q85 PolarHBondContact O-N 3.1Å; Q85-T87 VanDerWaalsContact C-N 3.28Å; Q85-T87 PolarHBondContact O-N 2.94Å |
| 86 | E | 44.9 | Very low | 50.7 | Low | 170 Ų | 170 | 135.6 Ų | 135.6 | 79% | 0.794 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.9 | -21.2 | 174.8 | -67.8 | -174.2 | 168.3 | 0 | 0 | 112.8 | P84 | P84-E86 PolarHBondContact O-N 3.33Å |
| 87 | T | 50 | Low | 52 | Low | 81 Ų | 81 | 134 Ų | 134 | 50% | 0.497 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -83.8 | -21.8 | -172.2 | 62 | 0 | 0 | 0 | 0 | 115 | P84 Q85 V91 | P84-T87 PolarHBondContact O-OG1 3.14Å; Q85-T87 VanDerWaalsContact C-N 3.28Å; Q85-T87 PolarHBondContact O-N 2.94Å; T87-V91 VanDerWaalsContact O-CG2 3.25Å; T87-V91 WeakPolarHBondContact O-CG2 2.98Å; T87-V91 PolarHBondContact O-N 2.93Å |
| 88 | V | 50 | Low | 53.9 | Low | 90 Ų | 90 | 128.3 Ų | 128.3 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -81.3 | -35.3 | -177.4 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | V91 I92 | V88-V91 PolarHBondContact O-N 3.23Å; V88-I92 HydrophobicContact CG1-CD1 4.4Å; V88-I92 PolarHBondContact O-N 3.04Å |
| 89 | Y | 49.6 | Very low | 55.7 | Low | 167 Ų | 167 | 124.4 Ų | 124.4 | 66% | 0.655 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70 | -37.5 | 174.6 | -70.1 | -78.3 | 0 | 0 | 0 | 111.6 | V91 I92 D93 | Y89-V91 PolarHBondContact O-N 3.42Å; Y89-I92 PolarHBondContact O-N 2.99Å; Y89-D93 PolarHBondContact O-N 3.46Å; Y89-D93 VanDerWaalsContact O-N 3.15Å |
| 90 | E | 48.7 | Very low | 57.7 | Low | 127 Ų | 127 | 126 Ų | 126 | 59% | 0.593 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.9 | -38.4 | 174.5 | -76.8 | -161.5 | 155.5 | 0 | 0 | 113.1 | N94 | E90-N94 WeakPolarHBondContact O-CB 3.46Å; E90-N94 PolarHBondContact O-N 3.28Å; E90-N94 PolarHBondContact O-ND2 2.57Å |
| 91 | V | 53.5 | Low | 59.6 | Low | 99 Ų | 99 | 122.9 Ų | 122.9 | 60% | 0.6 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.5 | -39.3 | -178.2 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | T87 V88 Y89 H95 | T87-V91 VanDerWaalsContact O-CG2 3.25Å; T87-V91 WeakPolarHBondContact O-CG2 2.98Å; T87-V91 PolarHBondContact O-N 2.93Å; V88-V91 PolarHBondContact O-N 3.23Å; Y89-V91 PolarHBondContact O-N 3.42Å; V91-H95 WeakPolarHBondContact O-CB 3.33Å; V91-H95 PolarHBondContact O-N 3.24Å |
| 92 | I | 55 | Low | 61.6 | Low | 91 Ų | 91 | 122.5 Ų | 122.5 | 47% | 0.467 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.2 | -42.9 | -178.6 | -60.7 | 171.7 | 0 | 0 | 0 | 110.8 | V88 Y89 H95 K96 | V88-I92 HydrophobicContact CG1-CD1 4.4Å; V88-I92 PolarHBondContact O-N 3.04Å; Y89-I92 PolarHBondContact O-N 2.99Å; I92-H95 PolarHBondContact O-N 2.78Å; I92-K96 PolarHBondContact O-N 2.81Å |
| 93 | D | 59.1 | Low | 63.7 | Low | 101 Ų | 101 | 120 Ų | 120 | 54% | 0.54 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69 | -37.1 | 178.4 | -78.5 | -17.9 | 0 | 0 | 0 | 111.8 | Y89 H95 K96 R97 | Y89-D93 PolarHBondContact O-N 3.46Å; Y89-D93 VanDerWaalsContact O-N 3.15Å; D93-H95 VanDerWaalsContact C-N 3.32Å; D93-H95 PolarHBondContact O-N 2.79Å; D93-K96 PolarHBondContact O-N 2.84Å; D93-R97 WeakPolarHBondContact O-CB 3.32Å; D93-R97 PolarHBondContact O-N 3.06Å |
| 94 | N | 61.8 | Low | 65.5 | Low | 93 Ų | 93 | 117 Ų | 117 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.9 | -34.9 | 172.8 | -73.3 | -30.6 | 0 | 0 | 0 | 112.1 | E90 G98 | E90-N94 WeakPolarHBondContact O-CB 3.46Å; E90-N94 PolarHBondContact O-N 3.28Å; E90-N94 PolarHBondContact O-ND2 2.57Å; N94-G98 PolarHBondContact O-N 3.2Å |
| 95 | H | 64.3 | Low | 67.8 | Low | 149 Ų | 149 | 119.1 Ų | 119.1 | 69% | 0.69 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.2 | -41.5 | 176.7 | -150 | 63.4 | 0 | 0 | 0 | 111.9 | V91 I92 D93 G98 F99 | V91-H95 WeakPolarHBondContact O-CB 3.33Å; V91-H95 PolarHBondContact O-N 3.24Å; I92-H95 PolarHBondContact O-N 2.78Å; D93-H95 VanDerWaalsContact C-N 3.32Å; D93-H95 PolarHBondContact O-N 2.79Å; H95-G98 PolarHBondContact O-N 2.94Å; H95-F99 VanDerWaalsContact O-CB 3.3Å; H95-F99 WeakPolarHBondContact O-CB 3.3Å; H95-F99 PolarHBondContact O-N 2.83Å |
| 96 | K | 70.6 | Confident | 70.2 | Confident | 144 Ų | 144 | 119.2 Ų | 119.2 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.8 | -44 | 173.3 | -74.7 | -173.4 | -179 | -177 | 0 | 111.8 | I92 D93 F99 F100 | I92-K96 PolarHBondContact O-N 2.81Å; D93-K96 PolarHBondContact O-N 2.84Å; K96-F99 PolarHBondContact O-N 2.8Å; K96-F100 WeakPolarHBondContact O-CB 3.4Å; K96-F100 PolarHBondContact O-N 2.88Å |
| 97 | R | 75.9 | Confident | 72.5 | Confident | 167 Ų | 167 | 116.7 Ų | 116.7 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.1 | -44.2 | 178.2 | -163.2 | 173.5 | -177 | -164.2 | 0.2 | 110.8 | D93 F100 W101 | D93-R97 WeakPolarHBondContact O-CB 3.32Å; D93-R97 PolarHBondContact O-N 3.06Å; R97-F100 PolarHBondContact O-N 2.87Å; R97-W101 PolarHBondContact O-N 3.1Å |
| 98 | G | 80.8 | Confident | 74.6 | Confident | 23 Ų | 23 | 116 Ų | 116 | 24% | 0.237 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -59.3 | -49.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N94 H95 F100 W101 Y102 | N94-G98 PolarHBondContact O-N 3.2Å; H95-G98 PolarHBondContact O-N 2.94Å; G98-F100 VanDerWaalsContact C-N 3.31Å; G98-F100 PolarHBondContact O-N 2.89Å; G98-W101 WeakPolarHBondContact O-CB 3.41Å; G98-W101 PolarHBondContact O-N 2.72Å; G98-W101 VanDerWaalsContact O-N 3.16Å; G98-Y102 WeakPolarHBondContact O-CD2 3.14Å; G98-Y102 PolarHBondContact O-N 3.14Å |
| 99 | F | 82.2 | Confident | 76.6 | Confident | 151 Ų | 151 | 114.1 Ų | 114.1 | 66% | 0.662 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.2 | -41.5 | 176.7 | -175.1 | -95 | 0 | 0 | 0 | 112.3 | H95 K96 W101 Y102 A103 | H95-F99 VanDerWaalsContact O-CB 3.3Å; H95-F99 WeakPolarHBondContact O-CB 3.3Å; H95-F99 PolarHBondContact O-N 2.83Å; K96-F99 PolarHBondContact O-N 2.8Å; F99-W101 PolarHBondContact O-N 2.91Å; F99-Y102 PolarHBondContact O-N 3.43Å; F99-A103 WeakPolarHBondContact O-CB 3.21Å; F99-A103 PolarHBondContact O-N 2.97Å |
| 100 | F | 83.7 | Confident | 78.6 | Confident | 136 Ų | 136 | 111.9 Ų | 111.9 | 60% | 0.596 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.1 | -41.8 | 176.4 | -165.2 | -101.7 | 0 | 0 | 0 | 111.7 | K96 R97 G98 A103 I104 | K96-F100 WeakPolarHBondContact O-CB 3.4Å; K96-F100 PolarHBondContact O-N 2.88Å; R97-F100 PolarHBondContact O-N 2.87Å; G98-F100 VanDerWaalsContact C-N 3.31Å; G98-F100 PolarHBondContact O-N 2.89Å; F100-A103 PolarHBondContact O-N 3.11Å; F100-I104 HydrophobicContact CD1-CD1 3.48Å; F100-I104 VanDerWaalsContact CD1-CD1 3.48Å; F100-I104 HydrophobicContact CD1-CG1 4.39Å; F100-I104 HydrophobicContact CE1-CD1 3.32Å; F100-I104 HydrophobicContact CE1-CG1 4.28Å; F100-I104 HydrophobicContact CG-CD1 4.41Å; F100-I104 HydrophobicContact CZ-CD1 4.13Å; F100-I104 WeakPolarHBondContact O-CG1 3.34Å; F100-I104 PolarHBondContact O-N 3.25Å |
| 101 | W | 85.9 | Confident | 80.7 | Confident | 165 Ų | 165 | 109.7 Ų | 109.7 | 63% | 0.625 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.8 | -43 | 172.7 | -80.8 | 111.3 | 0 | 0 | 0 | 112.6 | R97 G98 F99 I104 F105 | R97-W101 PolarHBondContact O-N 3.1Å; G98-W101 WeakPolarHBondContact O-CB 3.41Å; G98-W101 PolarHBondContact O-N 2.72Å; G98-W101 VanDerWaalsContact O-N 3.16Å; F99-W101 PolarHBondContact O-N 2.91Å; W101-I104 PolarHBondContact O-N 3.11Å; W101-F105 WeakPolarHBondContact O-CB 2.97Å; W101-F105 PolarHBondContact O-N 3.35Å |
| 102 | Y | 88.6 | Confident | 82.5 | Confident | 176 Ų | 176 | 109.3 Ų | 109.3 | 69% | 0.69 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -41.5 | 175.1 | -73.7 | -64.7 | 0 | 0 | 0 | 112.1 | G98 F99 F105 L106 | G98-Y102 WeakPolarHBondContact O-CD2 3.14Å; G98-Y102 PolarHBondContact O-N 3.14Å; F99-Y102 PolarHBondContact O-N 3.43Å; Y102-F105 PolarHBondContact O-N 3.42Å; Y102-L106 VanDerWaalsContact O-CB 3.32Å; Y102-L106 WeakPolarHBondContact O-CB 3.47Å; Y102-L106 PolarHBondContact O-N 3.28Å |
| 103 | A | 90.7 | Very high | 84.2 | Confident | 46 Ų | 46 | 107 Ų | 107 | 38% | 0.38 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F99 F100 L106 L107 | F99-A103 WeakPolarHBondContact O-CB 3.21Å; F99-A103 PolarHBondContact O-N 2.97Å; F100-A103 PolarHBondContact O-N 3.11Å; A103-L106 PolarHBondContact O-N 2.96Å; A103-L107 WeakPolarHBondContact O-CB 3.3Å; A103-L107 PolarHBondContact O-N 3.48Å |
| 104 | I | 92 | Very high | 85.6 | Confident | 69 Ų | 69 | 108.6 Ų | 108.6 | 35% | 0.354 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 174.1 | -69.6 | 165.6 | 0 | 0 | 0 | 110.7 | F100 W101 L106 L107 T108 | F100-I104 HydrophobicContact CD1-CD1 3.48Å; F100-I104 VanDerWaalsContact CD1-CD1 3.48Å; F100-I104 HydrophobicContact CD1-CG1 4.39Å; F100-I104 HydrophobicContact CE1-CD1 3.32Å; F100-I104 HydrophobicContact CE1-CG1 4.28Å; F100-I104 HydrophobicContact CG-CD1 4.41Å; F100-I104 HydrophobicContact CZ-CD1 4.13Å; F100-I104 WeakPolarHBondContact O-CG1 3.34Å; F100-I104 PolarHBondContact O-N 3.25Å; W101-I104 PolarHBondContact O-N 3.11Å; I104-L106 VanDerWaalsContact C-N 3.33Å; I104-L106 PolarHBondContact O-N 3.25Å; I104-L107 PolarHBondContact O-N 3.44Å; I104-T108 HydrophobicContact CG2-CG2 4.3Å; I104-T108 WeakPolarHBondContact O-CB 3.25Å; I104-T108 WeakPolarHBondContact O-CG2 3.4Å; I104-T108 PolarHBondContact O-N 2.64Å; I104-T108 PolarHBondContact O-OG1 3.43Å |
| 105 | F | 92.8 | Very high | 86.8 | Confident | 145 Ų | 145 | 109 Ų | 109 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 178.6 | -174.7 | -96.5 | 0 | 0 | 0 | 111.7 | W101 Y102 T108 A109 | W101-F105 WeakPolarHBondContact O-CB 2.97Å; W101-F105 PolarHBondContact O-N 3.35Å; Y102-F105 PolarHBondContact O-N 3.42Å; F105-T108 WeakPolarHBondContact CA-OG1 3.29Å; F105-T108 PolarHBondContact O-N 3.36Å; F105-T108 PolarHBondContact O-OG1 2.88Å; F105-A109 VanDerWaalsContact O-CB 3.3Å; F105-A109 WeakPolarHBondContact O-CB 3.32Å; F105-A109 PolarHBondContact O-N 3.35Å |
| 106 | L | 93.7 | Very high | 87.8 | Confident | 113 Ų | 113 | 105.5 Ų | 105.5 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.8 | -40.4 | 178.7 | -158.2 | 151.5 | 0 | 0 | 0 | 111.5 | Y102 A103 I104 L110 | Y102-L106 VanDerWaalsContact O-CB 3.32Å; Y102-L106 WeakPolarHBondContact O-CB 3.47Å; Y102-L106 PolarHBondContact O-N 3.28Å; A103-L106 PolarHBondContact O-N 2.96Å; I104-L106 VanDerWaalsContact C-N 3.33Å; I104-L106 PolarHBondContact O-N 3.25Å; L106-L110 HydrophobicContact CD2-CD1 4.1Å; L106-L110 WeakPolarHBondContact O-CB 3.38Å; L106-L110 PolarHBondContact O-N 2.97Å |
| 107 | L | 94.1 | Very high | 88.3 | Confident | 117 Ų | 117 | 104.4 Ų | 104.4 | 61% | 0.613 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.7 | -46.1 | 175 | -168 | 107.7 | 0 | 0 | 0 | 111.8 | A103 I104 L110 V111 | A103-L107 WeakPolarHBondContact O-CB 3.3Å; A103-L107 PolarHBondContact O-N 3.48Å; I104-L107 PolarHBondContact O-N 3.44Å; L107-L110 WeakPolarHBondContact O-CB 3.48Å; L107-L110 PolarHBondContact O-N 3.46Å; L107-V111 WeakPolarHBondContact O-CG2 3.34Å; L107-V111 PolarHBondContact O-N 3.49Å |
| 108 | T | 93 | Very high | 88.6 | Confident | 66 Ų | 66 | 102.1 Ų | 102.1 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 178.7 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | I104 F105 L110 V111 V112 | I104-T108 HydrophobicContact CG2-CG2 4.3Å; I104-T108 WeakPolarHBondContact O-CB 3.25Å; I104-T108 WeakPolarHBondContact O-CG2 3.4Å; I104-T108 PolarHBondContact O-N 2.64Å; I104-T108 PolarHBondContact O-OG1 3.43Å; F105-T108 WeakPolarHBondContact CA-OG1 3.29Å; F105-T108 PolarHBondContact O-N 3.36Å; F105-T108 PolarHBondContact O-OG1 2.88Å; T108-L110 VanDerWaalsContact C-N 3.33Å; T108-L110 PolarHBondContact O-N 2.93Å; T108-V111 PolarHBondContact O-N 3.31Å; T108-V112 WeakPolarHBondContact O-CG2 3.13Å; T108-V112 PolarHBondContact O-N 3.03Å |
| 109 | A | 92.7 | Very high | 88.7 | Confident | 51 Ų | 51 | 104.9 Ų | 104.9 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F105 G113 | F105-A109 VanDerWaalsContact O-CB 3.3Å; F105-A109 WeakPolarHBondContact O-CB 3.32Å; F105-A109 PolarHBondContact O-N 3.35Å; A109-G113 PolarHBondContact O-N 3.19Å |
| 110 | L | 92 | Very high | 88.4 | Confident | 120 Ų | 120 | 103.6 Ų | 103.6 | 63% | 0.628 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -45.7 | 174.3 | -101.8 | 169.7 | 0 | 0 | 0 | 112.3 | L106 L107 T108 G113 F114 | L106-L110 HydrophobicContact CD2-CD1 4.1Å; L106-L110 WeakPolarHBondContact O-CB 3.38Å; L106-L110 PolarHBondContact O-N 2.97Å; L107-L110 WeakPolarHBondContact O-CB 3.48Å; L107-L110 PolarHBondContact O-N 3.46Å; T108-L110 VanDerWaalsContact C-N 3.33Å; T108-L110 PolarHBondContact O-N 2.93Å; L110-G113 PolarHBondContact O-N 2.99Å; L110-F114 WeakPolarHBondContact O-CB 3.13Å; L110-F114 PolarHBondContact O-N 2.87Å |
| 111 | V | 92.6 | Very high | 88.3 | Confident | 82 Ų | 82 | 101.8 Ų | 101.8 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 178.9 | 172.6 | 0 | 0 | 0 | 0 | 111 | L107 T108 F114 L115 | L107-V111 WeakPolarHBondContact O-CG2 3.34Å; L107-V111 PolarHBondContact O-N 3.49Å; T108-V111 PolarHBondContact O-N 3.31Å; V111-F114 PolarHBondContact O-N 3.18Å; V111-L115 WeakPolarHBondContact O-CB 3.26Å; V111-L115 PolarHBondContact O-N 3.32Å |
| 112 | V | 91.9 | Very high | 88 | Confident | 91 Ų | 91 | 97.7 Ų | 97.7 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | T108 F114 L115 V116 | T108-V112 WeakPolarHBondContact O-CG2 3.13Å; T108-V112 PolarHBondContact O-N 3.03Å; V112-F114 VanDerWaalsContact C-N 3.33Å; V112-F114 PolarHBondContact O-N 3.02Å; V112-L115 PolarHBondContact O-N 2.97Å; V112-V116 HydrophobicContact CG1-CG2 4.42Å; V112-V116 WeakPolarHBondContact O-CG2 3.34Å; V112-V116 PolarHBondContact O-N 2.98Å |
| 113 | G | 90 | Very high | 87.5 | Confident | 41 Ų | 41 | 94 Ų | 94 | 42% | 0.423 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A109 L110 V116 M117 | A109-G113 PolarHBondContact O-N 3.19Å; L110-G113 PolarHBondContact O-N 2.99Å; G113-V116 PolarHBondContact O-N 3.44Å; G113-M117 WeakPolarHBondContact O-CB 3.35Å; G113-M117 PolarHBondContact O-N 3.26Å |
| 114 | F | 88.4 | Confident | 87 | Confident | 135 Ų | 135 | 94.5 Ų | 94.5 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -41 | 175.2 | -176 | -100.3 | 0 | 0 | 0 | 112.2 | L110 V111 V112 M117 K118 | L110-F114 WeakPolarHBondContact O-CB 3.13Å; L110-F114 PolarHBondContact O-N 2.87Å; V111-F114 PolarHBondContact O-N 3.18Å; V112-F114 VanDerWaalsContact C-N 3.33Å; V112-F114 PolarHBondContact O-N 3.02Å; F114-M117 PolarHBondContact O-N 3.2Å; F114-K118 HydrophobicContact CD1-CD 4.42Å; F114-K118 HydrophobicContact CD1-CG 4.38Å; F114-K118 HydrophobicContact CE1-CD 3.66Å; F114-K118 HydrophobicContact CE1-CG 4Å; F114-K118 HydrophobicContact CZ-CD 3.85Å; F114-K118 HydrophobicContact CZ-CG 4.11Å; F114-K118 WeakPolarHBondContact O-CG 3.29Å; F114-K118 PolarHBondContact O-N 3.31Å |
| 115 | L | 86.3 | Confident | 86.6 | Confident | 102 Ų | 102 | 96.3 Ų | 96.3 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.2 | -140.5 | 121.9 | 0 | 0 | 0 | 111.6 | V111 V112 N119 | V111-L115 WeakPolarHBondContact O-CB 3.26Å; V111-L115 PolarHBondContact O-N 3.32Å; V112-L115 PolarHBondContact O-N 2.97Å; L115-N119 WeakPolarHBondContact O-CB 3.45Å; L115-N119 VanDerWaalsContact O-CG 3.23Å; L115-N119 PolarHBondContact O-N 2.89Å; L115-N119 PolarHBondContact O-ND2 3.45Å |
| 116 | V | 86.2 | Confident | 86.1 | Confident | 75 Ų | 75 | 96.2 Ų | 96.2 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | V112 G113 K118 N119 M120 | V112-V116 HydrophobicContact CG1-CG2 4.42Å; V112-V116 WeakPolarHBondContact O-CG2 3.34Å; V112-V116 PolarHBondContact O-N 2.98Å; G113-V116 PolarHBondContact O-N 3.44Å; V116-K118 PolarHBondContact O-N 2.69Å; V116-N119 CarbonylContact O-C 3.41Å; V116-N119 PolarHBondContact O-N 3.44Å; V116-N119 VanDerWaalsContact O-N 3.16Å; V116-M120 HydrophobicContact CG1-CG 4.27Å; V116-M120 HydrophobicContact CG1-SD 4.16Å; V116-M120 WeakPolarHBondContact O-CG 3.33Å; V116-M120 PolarHBondContact O-N 2.71Å |
| 117 | M | 81.7 | Confident | 85.7 | Confident | 121 Ų | 121 | 95.4 Ų | 95.4 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -45.1 | 179.4 | -167.1 | 179 | -175.6 | 0 | 0 | 111.7 | G113 F114 N119 M120 D121 | G113-M117 WeakPolarHBondContact O-CB 3.35Å; G113-M117 PolarHBondContact O-N 3.26Å; F114-M117 PolarHBondContact O-N 3.2Å; M117-N119 VanDerWaalsContact C-N 3.3Å; M117-N119 PolarHBondContact O-N 3.09Å; M117-M120 PolarHBondContact O-N 2.74Å; M117-M120 VanDerWaalsContact O-N 3.17Å; M117-D121 PolarHBondContact O-N 2.76Å |
| 118 | K | 82 | Confident | 85.2 | Confident | 119 Ų | 119 | 97 Ų | 97 | 52% | 0.517 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 174.6 | -73.4 | -149.7 | 75.4 | 162.4 | 0 | 112.5 | F114 V116 D121 T122 | F114-K118 HydrophobicContact CD1-CD 4.42Å; F114-K118 HydrophobicContact CD1-CG 4.38Å; F114-K118 HydrophobicContact CE1-CD 3.66Å; F114-K118 HydrophobicContact CE1-CG 4Å; F114-K118 HydrophobicContact CZ-CD 3.85Å; F114-K118 HydrophobicContact CZ-CG 4.11Å; F114-K118 WeakPolarHBondContact O-CG 3.29Å; F114-K118 PolarHBondContact O-N 3.31Å; V116-K118 PolarHBondContact O-N 2.69Å; K118-D121 PolarHBondContact O-N 3.46Å; K118-T122 WeakPolarHBondContact O-CG2 3.44Å; K118-T122 PolarHBondContact O-N 3.11Å; K118-T122 VanDerWaalsContact O-N 3.1Å; K118-T122 PolarHBondContact O-OG1 2.9Å |
| 119 | N | 81.8 | Confident | 84.9 | Confident | 81 Ų | 81 | 98.6 Ų | 98.6 | 43% | 0.433 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.3 | -34.2 | 176.9 | -71.8 | -19.3 | 0 | 0 | 0 | 112 | L115 V116 M117 T122 I123 | L115-N119 WeakPolarHBondContact O-CB 3.45Å; L115-N119 VanDerWaalsContact O-CG 3.23Å; L115-N119 PolarHBondContact O-N 2.89Å; L115-N119 PolarHBondContact O-ND2 3.45Å; V116-N119 CarbonylContact O-C 3.41Å; V116-N119 PolarHBondContact O-N 3.44Å; V116-N119 VanDerWaalsContact O-N 3.16Å; M117-N119 VanDerWaalsContact C-N 3.3Å; M117-N119 PolarHBondContact O-N 3.09Å; N119-T122 WeakPolarHBondContact CA-OG1 3.35Å; N119-T122 PolarHBondContact O-N 3.18Å; N119-T122 PolarHBondContact O-OG1 2.88Å; N119-I123 WeakPolarHBondContact O-CB 3.5Å; N119-I123 VanDerWaalsContact O-CD1 3.28Å; N119-I123 WeakPolarHBondContact O-CD1 3.46Å; N119-I123 WeakPolarHBondContact O-CG1 3.5Å; N119-I123 PolarHBondContact O-N 3.14Å |
| 120 | M | 77.2 | Confident | 84.7 | Confident | 124 Ų | 124 | 101.1 Ų | 101.1 | 61% | 0.611 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.9 | -39.6 | 174.4 | -72.5 | -172.3 | 75.9 | 0 | 0 | 111.7 | V116 M117 I123 S124 | V116-M120 HydrophobicContact CG1-CG 4.27Å; V116-M120 HydrophobicContact CG1-SD 4.16Å; V116-M120 WeakPolarHBondContact O-CG 3.33Å; V116-M120 PolarHBondContact O-N 2.71Å; M117-M120 PolarHBondContact O-N 2.74Å; M117-M120 VanDerWaalsContact O-N 3.17Å; M120-I123 PolarHBondContact O-N 2.93Å; M120-S124 WeakPolarHBondContact O-CB 3.49Å; M120-S124 PolarHBondContact O-N 3.15Å |
| 121 | D | 80.2 | Confident | 84.6 | Confident | 98 Ų | 98 | 99.7 Ų | 99.7 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 175.8 | -71.2 | -27.4 | 0 | 0 | 0 | 111.7 | M117 K118 S124 L125 | M117-D121 PolarHBondContact O-N 2.76Å; K118-D121 PolarHBondContact O-N 3.46Å; D121-S124 PolarHBondContact O-N 3.12Å; D121-L125 VanDerWaalsContact O-CB 3.31Å; D121-L125 WeakPolarHBondContact O-CB 3.24Å; D121-L125 PolarHBondContact O-N 3.23Å |
| 122 | T | 79.2 | Confident | 84.4 | Confident | 80 Ų | 80 | 103.8 Ų | 103.8 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 176.7 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | K118 N119 L125 F126 | K118-T122 WeakPolarHBondContact O-CG2 3.44Å; K118-T122 PolarHBondContact O-N 3.11Å; K118-T122 VanDerWaalsContact O-N 3.1Å; K118-T122 PolarHBondContact O-OG1 2.9Å; N119-T122 WeakPolarHBondContact CA-OG1 3.35Å; N119-T122 PolarHBondContact O-N 3.18Å; N119-T122 PolarHBondContact O-OG1 2.88Å; T122-L125 PolarHBondContact O-N 3.48Å; T122-F126 WeakPolarHBondContact O-CB 3.3Å; T122-F126 PolarHBondContact O-N 2.99Å |
| 123 | I | 78.8 | Confident | 84 | Confident | 99 Ų | 99 | 103.5 Ų | 103.5 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 175.8 | -67.2 | 162.9 | 0 | 0 | 0 | 110.6 | N119 M120 L125 F126 I127 | N119-I123 WeakPolarHBondContact O-CB 3.5Å; N119-I123 VanDerWaalsContact O-CD1 3.28Å; N119-I123 WeakPolarHBondContact O-CD1 3.46Å; N119-I123 WeakPolarHBondContact O-CG1 3.5Å; N119-I123 PolarHBondContact O-N 3.14Å; M120-I123 PolarHBondContact O-N 2.93Å; I123-L125 VanDerWaalsContact C-N 3.35Å; I123-L125 PolarHBondContact O-N 3.28Å; I123-F126 PolarHBondContact O-N 3.36Å; I123-I127 HydrophobicContact CG2-CD1 3.79Å; I123-I127 HydrophobicContact CG2-CG1 4.36Å; I123-I127 VanDerWaalsContact O-CG1 3.3Å; I123-I127 WeakPolarHBondContact O-CG1 3.48Å; I123-I127 PolarHBondContact O-N 3.32Å |
| 124 | S | 80.7 | Confident | 83.7 | Confident | 56 Ų | 56 | 108.6 Ų | 108.6 | 39% | 0.392 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.7 | -43.8 | 177.4 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | M120 D121 I127 K128 | M120-S124 WeakPolarHBondContact O-CB 3.49Å; M120-S124 PolarHBondContact O-N 3.15Å; D121-S124 PolarHBondContact O-N 3.12Å; S124-I127 PolarHBondContact O-N 3.35Å; S124-K128 WeakPolarHBondContact O-CG 3.47Å; S124-K128 PolarHBondContact O-N 2.71Å |
| 125 | L | 82.4 | Confident | 83.3 | Confident | 107 Ų | 107 | 107.2 Ų | 107.2 | 56% | 0.56 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65 | -41 | 175.2 | -170.9 | 147.9 | 0 | 0 | 0 | 111.3 | D121 T122 I123 K128 I129 | D121-L125 VanDerWaalsContact O-CB 3.31Å; D121-L125 WeakPolarHBondContact O-CB 3.24Å; D121-L125 PolarHBondContact O-N 3.23Å; T122-L125 PolarHBondContact O-N 3.48Å; I123-L125 VanDerWaalsContact C-N 3.35Å; I123-L125 PolarHBondContact O-N 3.28Å; L125-K128 PolarHBondContact O-N 3.41Å; L125-I129 HydrophobicContact CD2-CD1 3.43Å; L125-I129 VanDerWaalsContact CD2-CD1 3.43Å; L125-I129 HydrophobicContact CD2-CG1 4.2Å; L125-I129 HydrophobicContact CG-CD1 4.49Å; L125-I129 WeakPolarHBondContact O-CG1 3.42Å; L125-I129 PolarHBondContact O-N 2.79Å |
| 126 | F | 83.2 | Confident | 82.6 | Confident | 143 Ų | 143 | 112.3 Ų | 112.3 | 63% | 0.627 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64 | -42.3 | 177.1 | -158.4 | -92 | 0 | 0 | 0 | 112.2 | T122 I123 I129 L130 | T122-F126 WeakPolarHBondContact O-CB 3.3Å; T122-F126 PolarHBondContact O-N 2.99Å; I123-F126 PolarHBondContact O-N 3.36Å; F126-I129 PolarHBondContact O-N 3.01Å; F126-L130 WeakPolarHBondContact O-CB 3.3Å; F126-L130 PolarHBondContact O-N 3.44Å |
| 127 | I | 85.1 | Confident | 82.4 | Confident | 96 Ų | 96 | 114.2 Ų | 114.2 | 49% | 0.492 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.1 | -43.2 | 174.7 | -67.6 | 166.9 | 0 | 0 | 0 | 110.5 | I123 S124 I129 L130 V131 | I123-I127 HydrophobicContact CG2-CD1 3.79Å; I123-I127 HydrophobicContact CG2-CG1 4.36Å; I123-I127 VanDerWaalsContact O-CG1 3.3Å; I123-I127 WeakPolarHBondContact O-CG1 3.48Å; I123-I127 PolarHBondContact O-N 3.32Å; S124-I127 PolarHBondContact O-N 3.35Å; I127-I129 PolarHBondContact O-N 2.85Å; I127-L130 PolarHBondContact O-N 2.96Å; I127-V131 HydrophobicContact CG2-CG2 4.29Å; I127-V131 VanDerWaalsContact O-CG2 3.32Å; I127-V131 WeakPolarHBondContact O-CG2 3.48Å; I127-V131 PolarHBondContact O-N 3.46Å |
| 128 | K | 84.4 | Confident | 82.4 | Confident | 150 Ų | 150 | 113.8 Ų | 113.8 | 65% | 0.652 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.8 | -43.4 | 175.8 | -76.1 | -178.9 | -178.5 | 179.4 | 0 | 112.2 | S124 L125 Y132 | S124-K128 WeakPolarHBondContact O-CG 3.47Å; S124-K128 PolarHBondContact O-N 2.71Å; L125-K128 PolarHBondContact O-N 3.41Å; K128-Y132 WeakPolarHBondContact O-CB 3.13Å; K128-Y132 PolarHBondContact O-N 2.87Å |
| 129 | I | 86.9 | Confident | 82.4 | Confident | 100 Ų | 100 | 113.5 Ų | 113.5 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.1 | -43.4 | 175.7 | -69.2 | 175.6 | 0 | 0 | 0 | 110.6 | L125 F126 I127 Y132 S133 | L125-I129 HydrophobicContact CD2-CD1 3.43Å; L125-I129 VanDerWaalsContact CD2-CD1 3.43Å; L125-I129 HydrophobicContact CD2-CG1 4.2Å; L125-I129 HydrophobicContact CG-CD1 4.49Å; L125-I129 WeakPolarHBondContact O-CG1 3.42Å; L125-I129 PolarHBondContact O-N 2.79Å; F126-I129 PolarHBondContact O-N 3.01Å; I127-I129 PolarHBondContact O-N 2.85Å; I129-Y132 PolarHBondContact O-N 3.48Å; I129-S133 WeakPolarHBondContact O-CB 3.42Å; I129-S133 PolarHBondContact O-N 3.14Å |
| 130 | L | 87.9 | Confident | 82.5 | Confident | 103 Ų | 103 | 115.4 Ų | 115.4 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65 | -43.2 | -179.9 | -170.8 | 127 | 0 | 0 | 0 | 112.1 | F126 I127 S133 L134 | F126-L130 WeakPolarHBondContact O-CB 3.3Å; F126-L130 PolarHBondContact O-N 3.44Å; I127-L130 PolarHBondContact O-N 2.96Å; L130-S133 PolarHBondContact O-N 3.35Å; L130-L134 WeakPolarHBondContact O-CB 3.38Å; L130-L134 PolarHBondContact O-N 3.26Å |
| 131 | V | 89.4 | Confident | 82.8 | Confident | 91 Ų | 91 | 114.9 Ų | 114.9 | 55% | 0.552 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.7 | -40.9 | 174.9 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | I127 L134 S135 | I127-V131 HydrophobicContact CG2-CG2 4.29Å; I127-V131 VanDerWaalsContact O-CG2 3.32Å; I127-V131 WeakPolarHBondContact O-CG2 3.48Å; I127-V131 PolarHBondContact O-N 3.46Å; V131-L134 PolarHBondContact O-N 3.39Å; V131-S135 PolarHBondContact O-N 3.05Å |
| 132 | Y | 89.1 | Confident | 83 | Confident | 167 Ų | 167 | 116 Ų | 116 | 66% | 0.655 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.6 | -39.9 | 176.5 | -169.2 | -95.8 | 0 | 0 | 0 | 111.9 | K128 I129 L134 S135 | K128-Y132 WeakPolarHBondContact O-CB 3.13Å; K128-Y132 PolarHBondContact O-N 2.87Å; I129-Y132 PolarHBondContact O-N 3.48Å; Y132-L134 VanDerWaalsContact C-N 3.33Å; Y132-L134 PolarHBondContact O-N 2.74Å; Y132-S135 PolarHBondContact O-N 3.15Å |
| 133 | S | 83.3 | Confident | 83.2 | Confident | 86 Ų | 86 | 118.6 Ų | 118.6 | 60% | 0.601 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72 | -23.1 | 177.2 | -168.3 | 0 | 0 | 0 | 0 | 113.8 | I129 L130 | I129-S133 WeakPolarHBondContact O-CB 3.42Å; I129-S133 PolarHBondContact O-N 3.14Å; L130-S133 PolarHBondContact O-N 3.35Å |
| 134 | L | 83.3 | Confident | 83.6 | Confident | 148 Ų | 148 | 120.1 Ų | 120.1 | 78% | 0.775 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -85.8 | -16.8 | 176.3 | -153.3 | 80.7 | 0 | 0 | 0 | 112.6 | L130 V131 Y132 | L130-L134 WeakPolarHBondContact O-CB 3.38Å; L130-L134 PolarHBondContact O-N 3.26Å; V131-L134 PolarHBondContact O-N 3.39Å; Y132-L134 VanDerWaalsContact C-N 3.33Å; Y132-L134 PolarHBondContact O-N 2.74Å |
| 135 | S | 81 | Confident | 83.8 | Confident | 105 Ų | 105 | 125.4 Ų | 125.4 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | trans | -90.6 | -8.5 | 179.6 | -173.3 | 0 | 0 | 0 | 0 | 113.7 | V131 Y132 | V131-S135 PolarHBondContact O-N 3.05Å; Y132-S135 PolarHBondContact O-N 3.15Å | ||
| 136 | Q | 69.9 | Low | 84 | Confident | 209 Ų | 209 | 127.1 Ų | 127.1 | 98% | 0.977 | 65% | 0.647 | S | S | * | * | trans | -94.8 | 0 | 167.9 | -91.5 | -164.5 | -7 | 0 | 0 | 110.2 |
Retrieved 136 of 136 residues in 31.3 ms
(Link to these results)