| 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 | 66.9 | Low | 88 | Confident | 115 Ų | 115 | 83.8 Ų | 83.8 | 57% | 0.567 | 45% | 0.445 | S | S | * | . | 0 | 122.6 | 0 | -166.9 | 174.4 | -76.3 | 0 | 0 | 107.8 | E5 R6 K9 | M1-E5 WeakPolarHBondContact CA-OE2 3.32Å; M1-E5 HydrophobicContact CG-CB 3.48Å; M1-E5 VanDerWaalsContact CG-CB 3.48Å; M1-E5 HydrophobicContact CG-CG 4.44Å; M1-E5 VanDerWaalsContact CG-OE2 3.24Å; M1-E5 WeakPolarHBondContact CG-OE2 3.43Å; M1-E5 HydrophobicContact SD-CB 4.37Å; M1-R6 HydrophobicContact CB-CG 4.44Å; M1-R6 HydrophobicContact CG-CG 3.81Å; M1-R6 HydrophobicContact SD-CG 3.55Å; M1-R6 VanDerWaalsContact SD-CG 3.55Å; M1-K9 HydrophobicContact CE-CD 4.09Å; M1-K9 HydrophobicContact SD-CD 3.94Å | |||
| 2 | S | 81.2 | Confident | 88.6 | Confident | 58 Ų | 58 | 84.2 Ų | 84.2 | 41% | 0.406 | 45% | 0.447 | S | S | . | . | trans | -68.4 | 160.7 | 176.6 | 70.9 | 0 | 0 | 0 | 0 | 110.9 | S4 E5 R6 | S2-S4 PolarHBondContact O-N 3.27Å; S2-E5 PolarHBondContact N-OE2 3.28Å; S2-E5 PolarHBondContact O-N 3.13Å; S2-E5 VanDerWaalsContact OG-CG 3.28Å; S2-E5 WeakPolarHBondContact OG-CG 3.33Å; S2-E5 PolarHBondContact OG-N 3.45Å; S2-R6 PolarHBondContact O-N 2.86Å; S2-R6 VanDerWaalsContact O-N 3.17Å | ||
| 3 | F | 83 | Confident | 89.3 | Confident | 146 Ų | 146 | 78.6 Ų | 78.6 | 64% | 0.64 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -56.4 | -41.6 | 173.1 | 176.3 | -101.6 | 0 | 0 | 0 | 111.5 | E5 R6 L7 | F3-E5 PolarHBondContact O-N 3.42Å; F3-R6 WeakPolarHBondContact O-CB 3.37Å; F3-R6 PolarHBondContact O-N 3.16Å; F3-R6 VanDerWaalsContact O-N 3.15Å; F3-L7 PolarHBondContact O-N 3.12Å |
| 4 | S | 86.1 | Confident | 89.8 | Confident | 88 Ų | 88 | 82.3 Ų | 82.3 | 62% | 0.615 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 178.5 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | S2 R6 L7 A8 | S2-S4 PolarHBondContact O-N 3.27Å; S4-R6 VanDerWaalsContact C-N 3.32Å; S4-R6 PolarHBondContact O-N 3.25Å; S4-L7 PolarHBondContact O-N 2.98Å; S4-A8 PolarHBondContact O-N 3.36Å |
| 5 | E | 89.8 | Confident | 90.2 | Very high | 104 Ų | 104 | 83.9 Ų | 83.9 | 49% | 0.486 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 175 | -73.7 | 167.2 | 168.4 | 0 | 0 | 112.1 | M1 S2 F3 A8 K9 | M1-E5 WeakPolarHBondContact CA-OE2 3.32Å; M1-E5 HydrophobicContact CG-CB 3.48Å; M1-E5 VanDerWaalsContact CG-CB 3.48Å; M1-E5 HydrophobicContact CG-CG 4.44Å; M1-E5 VanDerWaalsContact CG-OE2 3.24Å; M1-E5 WeakPolarHBondContact CG-OE2 3.43Å; M1-E5 HydrophobicContact SD-CB 4.37Å; S2-E5 PolarHBondContact N-OE2 3.28Å; S2-E5 PolarHBondContact O-N 3.13Å; S2-E5 VanDerWaalsContact OG-CG 3.28Å; S2-E5 WeakPolarHBondContact OG-CG 3.33Å; S2-E5 PolarHBondContact OG-N 3.45Å; F3-E5 PolarHBondContact O-N 3.42Å; E5-A8 PolarHBondContact O-N 3.38Å; E5-K9 PolarHBondContact O-N 3.49Å; E5-K9 VanDerWaalsContact O-N 3.1Å |
| 6 | R | 89 | Confident | 90.6 | Very high | 45 Ų | 45 | 81.1 Ų | 81.1 | 17% | 0.17 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 176 | -68.4 | 178.3 | 178.1 | -81.1 | 4.5 | 111.9 | M1 S2 F3 S4 A8 K9 L10 Y65 | M1-R6 HydrophobicContact CB-CG 4.44Å; M1-R6 HydrophobicContact CG-CG 3.81Å; M1-R6 HydrophobicContact SD-CG 3.55Å; M1-R6 VanDerWaalsContact SD-CG 3.55Å; S2-R6 PolarHBondContact O-N 2.86Å; S2-R6 VanDerWaalsContact O-N 3.17Å; F3-R6 WeakPolarHBondContact O-CB 3.37Å; F3-R6 PolarHBondContact O-N 3.16Å; F3-R6 VanDerWaalsContact O-N 3.15Å; S4-R6 VanDerWaalsContact C-N 3.32Å; S4-R6 PolarHBondContact O-N 3.25Å; R6-A8 VanDerWaalsContact C-N 3.34Å; R6-K9 WeakPolarHBondContact O-CB 3.44Å; R6-K9 PolarHBondContact O-N 3.35Å; R6-L10 PolarHBondContact O-N 2.85Å; R6-L10 VanDerWaalsContact O-N 3.12Å; R6-Y65 VanDerWaalsContact CD-CD1 3.5Å; R6-Y65 VanDerWaalsContact NH1-CB 3.32Å |
| 7 | L | 91.5 | Very high | 91 | Very high | 100 Ų | 100 | 80.6 Ų | 80.6 | 52% | 0.524 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 175.7 | -171.9 | 61.7 | 0 | 0 | 0 | 111.3 | F3 S4 K9 L10 D11 | F3-L7 PolarHBondContact O-N 3.12Å; S4-L7 PolarHBondContact O-N 2.98Å; L7-K9 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 2.89Å; L7-L10 PolarHBondContact O-N 3.47Å; L7-L10 VanDerWaalsContact O-N 3.1Å; L7-D11 PolarHBondContact O-N 2.97Å |
| 8 | A | 94.3 | Very high | 91.3 | Very high | 50 Ų | 50 | 81.5 Ų | 81.5 | 41% | 0.413 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S4 E5 R6 L10 D11 D12 | S4-A8 PolarHBondContact O-N 3.36Å; E5-A8 PolarHBondContact O-N 3.38Å; R6-A8 VanDerWaalsContact C-N 3.34Å; A8-L10 VanDerWaalsContact C-N 3.31Å; A8-L10 PolarHBondContact O-N 3.35Å; A8-D11 WeakPolarHBondContact O-CB 3.39Å; A8-D11 PolarHBondContact O-N 3.38Å; A8-D12 PolarHBondContact O-N 2.99Å |
| 9 | K | 94.1 | Very high | 91.6 | Very high | 72 Ų | 72 | 81.8 Ų | 81.8 | 31% | 0.313 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 173.2 | -77 | -172.3 | 168.2 | -160.4 | 0 | 113.2 | M1 E5 R6 L7 D12 V13 T58 | M1-K9 HydrophobicContact CE-CD 4.09Å; M1-K9 HydrophobicContact SD-CD 3.94Å; E5-K9 PolarHBondContact O-N 3.49Å; E5-K9 VanDerWaalsContact O-N 3.1Å; R6-K9 WeakPolarHBondContact O-CB 3.44Å; R6-K9 PolarHBondContact O-N 3.35Å; L7-K9 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 2.89Å; K9-D12 PolarHBondContact O-N 2.65Å; K9-V13 WeakPolarHBondContact O-CG2 3.5Å; K9-V13 PolarHBondContact O-N 2.8Å; K9-T58 HydrophobicContact CB-CG2 4.46Å |
| 10 | L | 95.2 | Very high | 91.9 | Very high | 73 Ų | 73 | 78.6 Ų | 78.6 | 38% | 0.382 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -70.1 | -36.6 | 176.7 | -71.3 | 174.2 | 0 | 0 | 0 | 111.7 | R6 L7 A8 D12 V13 E14 Q62 | R6-L10 PolarHBondContact O-N 2.85Å; R6-L10 VanDerWaalsContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 3.47Å; L7-L10 VanDerWaalsContact O-N 3.1Å; A8-L10 VanDerWaalsContact C-N 3.31Å; A8-L10 PolarHBondContact O-N 3.35Å; L10-D12 VanDerWaalsContact C-N 3.33Å; L10-V13 WeakPolarHBondContact O-CB 3.35Å; L10-V13 PolarHBondContact O-N 3.42Å; L10-E14 PolarHBondContact O-N 2.89Å; L10-Q62 HydrophobicContact CD2-CB 4.26Å; L10-Q62 HydrophobicContact CD2-CG 3.81Å; L10-Q62 HydrophobicContact CG-CG 4.12Å |
| 11 | D | 96.4 | Very high | 92.1 | Very high | 71 Ų | 71 | 79.4 Ų | 79.4 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 171.1 | -180 | 60.4 | 0 | 0 | 0 | 111.6 | L7 A8 V13 E14 K15 | L7-D11 PolarHBondContact O-N 2.97Å; A8-D11 WeakPolarHBondContact O-CB 3.39Å; A8-D11 PolarHBondContact O-N 3.38Å; D11-V13 VanDerWaalsContact C-N 3.33Å; D11-V13 PolarHBondContact O-N 3Å; D11-E14 WeakPolarHBondContact O-CB 3.29Å; D11-E14 PolarHBondContact O-N 2.98Å; D11-K15 WeakPolarHBondContact O-CG 3.48Å; D11-K15 PolarHBondContact O-N 3.28Å; D11-K15 WeakPolarHBondContact OD2-CE 3.36Å; D11-K15 IonicContact OD2-NZ 2.63Å; D11-K15 PolarHBondContact OD2-NZ 3.23Å |
| 12 | D | 95.9 | Very high | 93.5 | Very high | 88 Ų | 88 | 78.5 Ų | 78.5 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.8 | -34.2 | 172.9 | -72 | -23.3 | 0 | 0 | 0 | 112.8 | A8 K9 L10 S16 | A8-D12 PolarHBondContact O-N 2.99Å; K9-D12 PolarHBondContact O-N 2.65Å; L10-D12 VanDerWaalsContact C-N 3.33Å; D12-S16 VanDerWaalsContact O-CB 3.31Å; D12-S16 WeakPolarHBondContact O-CB 3.49Å; D12-S16 PolarHBondContact O-N 3.48Å; D12-S16 PolarHBondContact O-OG 3.46Å |
| 13 | V | 97.3 | Very high | 94.2 | Very high | 12 Ų | 12 | 76.2 Ų | 76.2 | 7% | 0.073 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 171.6 | 165 | 0 | 0 | 0 | 0 | 110.6 | K9 L10 D11 K15 S16 I17 I55 T58 I59 | K9-V13 WeakPolarHBondContact O-CG2 3.5Å; K9-V13 PolarHBondContact O-N 2.8Å; L10-V13 WeakPolarHBondContact O-CB 3.35Å; L10-V13 PolarHBondContact O-N 3.42Å; D11-V13 VanDerWaalsContact C-N 3.33Å; D11-V13 PolarHBondContact O-N 3Å; V13-K15 PolarHBondContact O-N 3.28Å; V13-S16 CarbonylContact O-C 3.56Å; V13-S16 WeakPolarHBondContact O-CA 3.42Å; V13-S16 WeakPolarHBondContact O-CB 3.14Å; V13-S16 PolarHBondContact O-N 3.03Å; V13-I17 HydrophobicContact CG1-CD1 4.02Å; V13-I17 HydrophobicContact CG1-CG1 4.43Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 3.24Å; V13-I55 HydrophobicContact CG1-CG2 3.86Å; V13-T58 HydrophobicContact CG2-CG2 3.51Å; V13-I59 HydrophobicContact CG1-CD1 4.08Å; V13-I59 HydrophobicContact CG1-CG1 4.09Å |
| 14 | E | 96.1 | Very high | 94.9 | Very high | 130 Ų | 130 | 70.6 Ų | 70.6 | 61% | 0.607 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58 | -47.5 | 177.7 | -174.4 | 174.1 | 175.7 | 0 | 0 | 111.4 | L10 D11 S16 I17 V18 | L10-E14 PolarHBondContact O-N 2.89Å; D11-E14 WeakPolarHBondContact O-CB 3.29Å; D11-E14 PolarHBondContact O-N 2.98Å; E14-S16 VanDerWaalsContact C-N 3.29Å; E14-S16 PolarHBondContact O-N 3.23Å; E14-I17 WeakPolarHBondContact O-CB 3.41Å; E14-I17 PolarHBondContact O-N 3.06Å; E14-V18 PolarHBondContact O-N 2.87Å |
| 15 | K | 96.4 | Very high | 95.5 | Very high | 106 Ų | 106 | 68.3 Ų | 68.3 | 46% | 0.461 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 173.1 | -68.5 | 165.2 | -178.3 | 156.5 | 0 | 112.3 | D11 V13 I17 V18 H19 | D11-K15 WeakPolarHBondContact O-CG 3.48Å; D11-K15 PolarHBondContact O-N 3.28Å; D11-K15 WeakPolarHBondContact OD2-CE 3.36Å; D11-K15 IonicContact OD2-NZ 2.63Å; D11-K15 PolarHBondContact OD2-NZ 3.23Å; V13-K15 PolarHBondContact O-N 3.28Å; K15-I17 VanDerWaalsContact C-N 3.32Å; K15-I17 PolarHBondContact O-N 2.99Å; K15-V18 WeakPolarHBondContact O-CB 3.24Å; K15-V18 PolarHBondContact O-N 3.06Å; K15-H19 PolarHBondContact O-CD2 2.91Å; K15-H19 PolarHBondContact O-N 3.46Å |
| 16 | S | 96.1 | Very high | 95.8 | Very high | 40 Ų | 40 | 67.4 Ų | 67.4 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.4 | -33.2 | 178 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | D12 V13 E14 V18 H19 L20 | D12-S16 VanDerWaalsContact O-CB 3.31Å; D12-S16 WeakPolarHBondContact O-CB 3.49Å; D12-S16 PolarHBondContact O-N 3.48Å; D12-S16 PolarHBondContact O-OG 3.46Å; V13-S16 CarbonylContact O-C 3.56Å; V13-S16 WeakPolarHBondContact O-CA 3.42Å; V13-S16 WeakPolarHBondContact O-CB 3.14Å; V13-S16 PolarHBondContact O-N 3.03Å; E14-S16 VanDerWaalsContact C-N 3.29Å; E14-S16 PolarHBondContact O-N 3.23Å; S16-V18 VanDerWaalsContact C-N 3.34Å; S16-H19 PolarHBondContact O-N 3.41Å; S16-L20 WeakPolarHBondContact O-CB 3.4Å; S16-L20 PolarHBondContact O-N 3.45Å |
| 17 | I | 97.5 | Very high | 96.2 | Very high | 73 Ų | 73 | 66 Ų | 66 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 174.4 | -69.3 | 166.1 | 0 | 0 | 0 | 110.6 | V13 E14 K15 H19 L20 V21 I55 | V13-I17 HydrophobicContact CG1-CD1 4.02Å; V13-I17 HydrophobicContact CG1-CG1 4.43Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 3.24Å; E14-I17 WeakPolarHBondContact O-CB 3.41Å; E14-I17 PolarHBondContact O-N 3.06Å; K15-I17 VanDerWaalsContact C-N 3.32Å; K15-I17 PolarHBondContact O-N 2.99Å; I17-H19 VanDerWaalsContact C-N 3.33Å; I17-H19 PolarHBondContact O-N 2.92Å; I17-L20 WeakPolarHBondContact O-CB 3.33Å; I17-L20 PolarHBondContact O-N 3.45Å; I17-V21 HydrophobicContact CG2-CG2 4.47Å; I17-V21 WeakPolarHBondContact O-CG2 3.29Å; I17-V21 PolarHBondContact O-N 3.25Å; I17-I55 HydrophobicContact CG1-CD1 3.88Å; I17-I55 HydrophobicContact CG1-CG2 4.33Å |
| 18 | V | 97.1 | Very high | 96.5 | Very high | 96 Ų | 96 | 67.1 Ų | 67.1 | 58% | 0.582 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.8 | -47 | 174.9 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | E14 K15 S16 L20 V21 Q22 | E14-V18 PolarHBondContact O-N 2.87Å; K15-V18 WeakPolarHBondContact O-CB 3.24Å; K15-V18 PolarHBondContact O-N 3.06Å; S16-V18 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 2.89Å; V18-V21 PolarHBondContact O-N 3.47Å; V18-Q22 WeakPolarHBondContact O-CB 3.43Å; V18-Q22 PolarHBondContact O-N 3.36Å |
| 19 | H | 95.6 | Very high | 96.6 | Very high | 88 Ų | 88 | 67.8 Ų | 67.8 | 41% | 0.407 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 176.4 | -70.7 | -55.5 | 0 | 0 | 0 | 113.3 | K15 S16 I17 Q22 S23 | K15-H19 PolarHBondContact O-CD2 2.91Å; K15-H19 PolarHBondContact O-N 3.46Å; S16-H19 PolarHBondContact O-N 3.41Å; I17-H19 VanDerWaalsContact C-N 3.33Å; I17-H19 PolarHBondContact O-N 2.92Å; H19-Q22 PolarHBondContact ND1-OE1 3.47Å; H19-Q22 WeakPolarHBondContact O-CB 3.46Å; H19-Q22 PolarHBondContact O-N 3.49Å; H19-S23 PolarHBondContact O-N 3.28Å; H19-S23 PolarHBondContact O-OG 2.94Å |
| 20 | L | 97.5 | Very high | 96.7 | Very high | 16 Ų | 16 | 65 Ų | 65 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58 | -51 | 174 | 179.8 | 76.7 | 0 | 0 | 0 | 110.5 | S16 I17 V18 Q22 S23 A24 F48 R51 L52 I55 | S16-L20 WeakPolarHBondContact O-CB 3.4Å; S16-L20 PolarHBondContact O-N 3.45Å; I17-L20 WeakPolarHBondContact O-CB 3.33Å; I17-L20 PolarHBondContact O-N 3.45Å; V18-L20 PolarHBondContact O-N 2.89Å; L20-Q22 VanDerWaalsContact C-N 3.3Å; L20-Q22 PolarHBondContact O-N 3.28Å; L20-S23 PolarHBondContact O-N 3.46Å; L20-A24 PolarHBondContact O-N 2.89Å; L20-F48 HydrophobicContact CD1-CB 4.39Å; L20-F48 HydrophobicContact CD1-CD2 3.35Å; L20-F48 HydrophobicContact CD1-CE2 3.62Å; L20-F48 HydrophobicContact CD1-CG 3.87Å; L20-F48 HydrophobicContact CD1-CZ 4.31Å; L20-F48 WeakPolarHBondContact CD1-O 3.4Å; L20-F48 HydrophobicContact CD2-CE2 4.1Å; L20-F48 HydrophobicContact CG-CD2 3.66Å; L20-F48 HydrophobicContact CG-CE2 3.59Å; L20-F48 HydrophobicContact CG-CZ 4.49Å; L20-F48 WeakPolarHBondContact O-CD2 3.46Å; L20-R51 HydrophobicContact CB-CB 4.46Å; L20-R51 HydrophobicContact CD1-CB 3.69Å; L20-L52 HydrophobicContact CD1-CB 3.94Å; L20-L52 HydrophobicContact CD2-CD1 4.12Å; L20-I55 HydrophobicContact CB-CD1 4.2Å; L20-I55 HydrophobicContact CD2-CD1 4.04Å |
| 21 | V | 97.6 | Very high | 96.8 | Very high | 97 Ų | 97 | 66 Ų | 66 | 59% | 0.588 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.3 | -39 | 177.8 | 174.1 | 0 | 0 | 0 | 0 | 111 | I17 V18 A24 G25 | I17-V21 HydrophobicContact CG2-CG2 4.47Å; I17-V21 WeakPolarHBondContact O-CG2 3.29Å; I17-V21 PolarHBondContact O-N 3.25Å; V18-V21 PolarHBondContact O-N 3.47Å; V21-A24 PolarHBondContact O-N 3.06Å; V21-G25 PolarHBondContact O-N 3.41Å |
| 22 | Q | 96.6 | Very high | 96.8 | Very high | 96 Ų | 96 | 65.8 Ų | 65.8 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 175.7 | -174.9 | -177.5 | 2.9 | 0 | 0 | 112.3 | V18 H19 L20 A24 G25 Q26 | V18-Q22 WeakPolarHBondContact O-CB 3.43Å; V18-Q22 PolarHBondContact O-N 3.36Å; H19-Q22 PolarHBondContact ND1-OE1 3.47Å; H19-Q22 WeakPolarHBondContact O-CB 3.46Å; H19-Q22 PolarHBondContact O-N 3.49Å; L20-Q22 VanDerWaalsContact C-N 3.3Å; L20-Q22 PolarHBondContact O-N 3.28Å; Q22-A24 VanDerWaalsContact C-N 3.33Å; Q22-A24 PolarHBondContact O-N 3.27Å; Q22-G25 PolarHBondContact O-N 2.91Å; Q22-Q26 WeakPolarHBondContact O-CG 3.4Å; Q22-Q26 PolarHBondContact O-N 3.48Å |
| 23 | S | 95.6 | Very high | 96.8 | Very high | 10 Ų | 10 | 66.9 Ų | 66.9 | 7% | 0.07 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 176.4 | -72 | 0 | 0 | 0 | 0 | 111.9 | H19 L20 Q26 C27 Q44 | H19-S23 PolarHBondContact O-N 3.28Å; H19-S23 PolarHBondContact O-OG 2.94Å; L20-S23 PolarHBondContact O-N 3.46Å; S23-Q26 PolarHBondContact O-N 3.41Å; S23-C27 WeakPolarHBondContact O-CB 3.03Å; S23-C27 PolarHBondContact O-N 3.38Å; S23-Q44 PolarHBondContact OG-OE1 3.32Å |
| 24 | A | 97.7 | Very high | 96.7 | Very high | 28 Ų | 28 | 74.8 Ų | 74.8 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L20 V21 Q22 Q26 C27 L28 F48 | L20-A24 PolarHBondContact O-N 2.89Å; V21-A24 PolarHBondContact O-N 3.06Å; Q22-A24 VanDerWaalsContact C-N 3.33Å; Q22-A24 PolarHBondContact O-N 3.27Å; A24-Q26 PolarHBondContact O-N 2.87Å; A24-C27 WeakPolarHBondContact O-CB 3.34Å; A24-C27 PolarHBondContact O-N 2.91Å; A24-L28 WeakPolarHBondContact O-CG 3.4Å; A24-L28 PolarHBondContact O-N 2.95Å; A24-F48 HydrophobicContact CB-CD2 3.73Å; A24-F48 HydrophobicContact CB-CE2 3.95Å |
| 25 | G | 97.6 | Very high | 96.7 | Very high | 39 Ų | 39 | 77.6 Ų | 77.6 | 40% | 0.402 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V21 Q22 L28 A29 | V21-G25 PolarHBondContact O-N 3.41Å; Q22-G25 PolarHBondContact O-N 2.91Å; G25-L28 PolarHBondContact O-N 3.02Å; G25-A29 VanDerWaalsContact O-CB 3.24Å; G25-A29 WeakPolarHBondContact O-CB 3.39Å; G25-A29 PolarHBondContact O-N 3.31Å |
| 26 | Q | 96.7 | Very high | 96.6 | Very high | 85 Ų | 85 | 75.4 Ų | 75.4 | 40% | 0.397 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 175.8 | -73.5 | -179.2 | -15.6 | 0 | 0 | 112.3 | Q22 S23 A24 A29 E30 Q44 | Q22-Q26 WeakPolarHBondContact O-CG 3.4Å; Q22-Q26 PolarHBondContact O-N 3.48Å; S23-Q26 PolarHBondContact O-N 3.41Å; A24-Q26 PolarHBondContact O-N 2.87Å; Q26-A29 PolarHBondContact O-N 2.98Å; Q26-E30 WeakPolarHBondContact O-CB 3.47Å; Q26-E30 PolarHBondContact O-N 3.3Å; Q26-Q44 HydrophobicContact CB-CG 4.12Å |
| 27 | C | 97.5 | Very high | 96.7 | Very high | 15 Ų | 15 | 75.6 Ų | 75.6 | 10% | 0.101 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.5 | -51.5 | 174.8 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | S23 A24 A29 E30 I31 A41 Q44 | S23-C27 WeakPolarHBondContact O-CB 3.03Å; S23-C27 PolarHBondContact O-N 3.38Å; A24-C27 WeakPolarHBondContact O-CB 3.34Å; A24-C27 PolarHBondContact O-N 2.91Å; C27-A29 PolarHBondContact O-N 3.39Å; C27-E30 PolarHBondContact O-N 2.65Å; C27-I31 WeakPolarHBondContact O-CG1 3.49Å; C27-I31 PolarHBondContact O-N 3.33Å; C27-A41 PolarHBondContact SG-O 3.43Å; C27-A41 VanDerWaalsContact SG-O 3.38Å; C27-Q44 HydrophobicContact CB-CB 3.7Å |
| 28 | L | 97.5 | Very high | 96.6 | Very high | 125 Ų | 125 | 76.1 Ų | 76.1 | 65% | 0.654 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 179.6 | -68.2 | 174.2 | 0 | 0 | 0 | 112.2 | A24 G25 E30 I31 G32 | A24-L28 WeakPolarHBondContact O-CG 3.4Å; A24-L28 PolarHBondContact O-N 2.95Å; G25-L28 PolarHBondContact O-N 3.02Å; L28-E30 VanDerWaalsContact C-N 3.29Å; L28-E30 PolarHBondContact O-N 3.2Å; L28-I31 PolarHBondContact O-N 3.42Å; L28-G32 PolarHBondContact O-N 2.85Å |
| 29 | A | 97 | Very high | 96.6 | Very high | 63 Ų | 63 | 82 Ų | 82 | 52% | 0.521 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.4 | -35.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G25 Q26 C27 | G25-A29 VanDerWaalsContact O-CB 3.24Å; G25-A29 WeakPolarHBondContact O-CB 3.39Å; G25-A29 PolarHBondContact O-N 3.31Å; Q26-A29 PolarHBondContact O-N 2.98Å; C27-A29 PolarHBondContact O-N 3.39Å |
| 30 | E | 96.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 81.7 Ų | 81.7 | 7% | 0.07 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -70.5 | -43.4 | 176 | -171.4 | 57.6 | -135.6 | 0 | 0 | 111.9 | Q26 C27 L28 G32 K33 A37 L40 A41 | Q26-E30 WeakPolarHBondContact O-CB 3.47Å; Q26-E30 PolarHBondContact O-N 3.3Å; C27-E30 PolarHBondContact O-N 2.65Å; L28-E30 VanDerWaalsContact C-N 3.29Å; L28-E30 PolarHBondContact O-N 3.2Å; E30-G32 PolarHBondContact O-N 3.48Å; E30-K33 PolarHBondContact O-N 2.96Å; E30-K33 IonicContact OE1-NZ 3.62Å; E30-K33 WeakPolarHBondContact OE2-CE 3.28Å; E30-K33 IonicContact OE2-NZ 2.65Å; E30-K33 PolarHBondContact OE2-NZ 3.4Å; E30-A37 HydrophobicContact CG-CB 4.26Å; E30-A37 WeakPolarHBondContact OE1-CB 3.37Å; E30-A37 PolarHBondContact OE1-N 3.27Å; E30-L40 HydrophobicContact CG-CB 4.42Å; E30-L40 HydrophobicContact CG-CD2 4.31Å; E30-L40 HydrophobicContact CG-CG 4.42Å; E30-A41 HydrophobicContact CB-CB 4.34Å; E30-A41 HydrophobicContact CG-CB 4.14Å |
| 31 | I | 96.5 | Very high | 96.5 | Very high | 93 Ų | 93 | 81.3 Ų | 81.3 | 48% | 0.477 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.9 | -32.7 | 177.6 | -67.1 | 167.8 | 0 | 0 | 0 | 111.2 | C27 L28 K33 T36 A41 | C27-I31 WeakPolarHBondContact O-CG1 3.49Å; C27-I31 PolarHBondContact O-N 3.33Å; L28-I31 PolarHBondContact O-N 3.42Å; I31-K33 PolarHBondContact O-N 2.89Å; I31-T36 HydrophobicContact CG1-CG2 4.37Å; I31-T36 PolarHBondContact O-OG1 3.5Å; I31-A41 HydrophobicContact CD1-CB 4.36Å; I31-A41 HydrophobicContact CG1-CB 3.88Å |
| 32 | G | 96.3 | Very high | 96.5 | Very high | 67 Ų | 67 | 81.8 Ų | 81.8 | 69% | 0.691 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -4.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116 | L28 E30 | L28-G32 PolarHBondContact O-N 2.85Å; E30-G32 PolarHBondContact O-N 3.48Å |
| 33 | K | 96.7 | Very high | 96.5 | Very high | 111 Ų | 111 | 79.5 Ų | 79.5 | 48% | 0.483 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -80 | 148.3 | 178 | -66 | 174.2 | -176.8 | 173.6 | 0 | 111.6 | E30 I31 K35 T36 | E30-K33 PolarHBondContact O-N 2.96Å; E30-K33 IonicContact OE1-NZ 3.62Å; E30-K33 WeakPolarHBondContact OE2-CE 3.28Å; E30-K33 IonicContact OE2-NZ 2.65Å; E30-K33 PolarHBondContact OE2-NZ 3.4Å; I31-K33 PolarHBondContact O-N 2.89Å; K33-K35 PolarHBondContact O-N 3.43Å; K33-K35 VanDerWaalsContact O-N 3.13Å; K33-T36 PolarHBondContact O-OG1 3.03Å |
| 34 | D | 94.7 | Very high | 96.6 | Very high | 177 Ų | 177 | 80.2 Ų | 80.2 | 95% | 0.947 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -55 | -32.6 | 173.2 | -62.4 | -45.8 | 0 | 0 | 0 | 113 | ||
| 35 | K | 96.1 | Very high | 96.6 | Very high | 190 Ų | 190 | 80.9 Ų | 80.9 | 83% | 0.826 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -121.2 | 89.6 | 171.7 | -67 | -175.4 | -177.2 | 179.2 | 0 | 109.4 | K33 A37 | K33-K35 PolarHBondContact O-N 3.43Å; K33-K35 VanDerWaalsContact O-N 3.13Å; K35-A37 PolarHBondContact O-N 3.35Å |
| 36 | T | 95.7 | Very high | 96.6 | Very high | 60 Ų | 60 | 84 Ų | 84 | 37% | 0.368 | 45% | 0.453 | S | S | . | . | trans | -64 | 126 | 175.9 | -49 | 0 | 0 | 0 | 0 | 111.4 | I31 K33 T38 | I31-T36 HydrophobicContact CG1-CG2 4.37Å; I31-T36 PolarHBondContact O-OG1 3.5Å; K33-T36 PolarHBondContact O-OG1 3.03Å; T36-T38 PolarHBondContact O-N 2.87Å; T36-T38 VanDerWaalsContact O-N 3.12Å | ||
| 37 | A | 96.6 | Very high | 96.6 | Very high | 44 Ų | 44 | 82 Ų | 82 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | trans | -80.6 | 84.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | E30 K35 R39 L40 A41 | E30-A37 HydrophobicContact CG-CB 4.26Å; E30-A37 WeakPolarHBondContact OE1-CB 3.37Å; E30-A37 PolarHBondContact OE1-N 3.27Å; K35-A37 PolarHBondContact O-N 3.35Å; A37-R39 VanDerWaalsContact C-N 3.3Å; A37-R39 PolarHBondContact O-N 2.91Å; A37-R39 VanDerWaalsContact O-N 3.16Å; A37-L40 HydrophobicContact CB-CB 4.04Å; A37-L40 WeakPolarHBondContact O-CB 3.3Å; A37-L40 PolarHBondContact O-N 3.41Å; A37-A41 PolarHBondContact O-N 2.87Å | ||
| 38 | T | 95.7 | Very high | 96.6 | Very high | 83 Ų | 83 | 84.6 Ų | 84.6 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -50.9 | -43.5 | -173.1 | -46.3 | 0 | 0 | 0 | 0 | 113.7 | T36 L40 A41 E42 | T36-T38 PolarHBondContact O-N 2.87Å; T36-T38 VanDerWaalsContact O-N 3.12Å; T38-L40 VanDerWaalsContact C-N 3.3Å; T38-L40 PolarHBondContact O-N 2.92Å; T38-A41 PolarHBondContact O-N 3.13Å; T38-E42 HydrophobicContact CG2-CG 4.38Å; T38-E42 WeakPolarHBondContact O-CB 3.47Å; T38-E42 WeakPolarHBondContact O-CG 3.22Å; T38-E42 PolarHBondContact O-N 3.31Å |
| 39 | R | 96.9 | Very high | 96.6 | Very high | 219 Ų | 219 | 81.9 Ų | 81.9 | 83% | 0.826 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.7 | -36.8 | 178.3 | -68.4 | -176.7 | -178.2 | 171.1 | 0.5 | 113 | A37 S43 | A37-R39 VanDerWaalsContact C-N 3.3Å; A37-R39 PolarHBondContact O-N 2.91Å; A37-R39 VanDerWaalsContact O-N 3.16Å; R39-S43 WeakPolarHBondContact O-CB 3.32Å; R39-S43 PolarHBondContact O-N 3.18Å |
| 40 | L | 95.8 | Very high | 96.6 | Very high | 82 Ų | 82 | 84.7 Ų | 84.7 | 43% | 0.429 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.8 | -45.6 | 177.5 | 178.6 | 60 | 0 | 0 | 0 | 110.1 | E30 A37 T38 E42 S43 Q44 | E30-L40 HydrophobicContact CG-CB 4.42Å; E30-L40 HydrophobicContact CG-CD2 4.31Å; E30-L40 HydrophobicContact CG-CG 4.42Å; A37-L40 HydrophobicContact CB-CB 4.04Å; A37-L40 WeakPolarHBondContact O-CB 3.3Å; A37-L40 PolarHBondContact O-N 3.41Å; T38-L40 VanDerWaalsContact C-N 3.3Å; T38-L40 PolarHBondContact O-N 2.92Å; L40-E42 VanDerWaalsContact C-N 3.35Å; L40-E42 PolarHBondContact O-N 3.3Å; L40-S43 WeakPolarHBondContact O-CB 3.47Å; L40-S43 PolarHBondContact O-N 2.88Å; L40-Q44 HydrophobicContact CD1-CG 4.47Å; L40-Q44 WeakPolarHBondContact O-CG 3.46Å; L40-Q44 PolarHBondContact O-N 3.22Å |
| 41 | A | 96.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 88.5 Ų | 88.5 | 7% | 0.066 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C27 E30 I31 A37 T38 S43 Q44 A45 | C27-A41 PolarHBondContact SG-O 3.43Å; C27-A41 VanDerWaalsContact SG-O 3.38Å; E30-A41 HydrophobicContact CB-CB 4.34Å; E30-A41 HydrophobicContact CG-CB 4.14Å; I31-A41 HydrophobicContact CD1-CB 4.36Å; I31-A41 HydrophobicContact CG1-CB 3.88Å; A37-A41 PolarHBondContact O-N 2.87Å; T38-A41 PolarHBondContact O-N 3.13Å; A41-S43 PolarHBondContact O-N 3.46Å; A41-Q44 PolarHBondContact O-N 3.13Å; A41-A45 WeakPolarHBondContact O-CB 3.34Å; A41-A45 PolarHBondContact O-N 3.37Å |
| 42 | E | 96.7 | Very high | 96.7 | Very high | 108 Ų | 108 | 87.5 Ų | 87.5 | 51% | 0.505 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 174.9 | -75.7 | 172.3 | -178.8 | 0 | 0 | 112.1 | T38 L40 Q44 A45 Q46 | T38-E42 HydrophobicContact CG2-CG 4.38Å; T38-E42 WeakPolarHBondContact O-CB 3.47Å; T38-E42 WeakPolarHBondContact O-CG 3.22Å; T38-E42 PolarHBondContact O-N 3.31Å; L40-E42 VanDerWaalsContact C-N 3.35Å; L40-E42 PolarHBondContact O-N 3.3Å; E42-Q44 VanDerWaalsContact C-N 3.32Å; E42-Q44 PolarHBondContact O-N 3.27Å; E42-A45 PolarHBondContact O-N 3.06Å; E42-Q46 WeakPolarHBondContact O-CB 3.31Å; E42-Q46 VanDerWaalsContact O-CG 3.29Å; E42-Q46 WeakPolarHBondContact O-CG 3.36Å; E42-Q46 PolarHBondContact O-N 3.45Å |
| 43 | S | 97.3 | Very high | 96.7 | Very high | 48 Ų | 48 | 90 Ų | 90 | 34% | 0.336 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 176 | -171.8 | 0 | 0 | 0 | 0 | 111.5 | R39 L40 A41 Q46 D47 | R39-S43 WeakPolarHBondContact O-CB 3.32Å; R39-S43 PolarHBondContact O-N 3.18Å; L40-S43 WeakPolarHBondContact O-CB 3.47Å; L40-S43 PolarHBondContact O-N 2.88Å; A41-S43 PolarHBondContact O-N 3.46Å; S43-Q46 PolarHBondContact O-N 3.43Å; S43-D47 PolarHBondContact O-N 3.32Å |
| 44 | Q | 97.3 | Very high | 96.7 | Very high | 25 Ų | 25 | 87.4 Ų | 87.4 | 12% | 0.117 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 178.8 | -66.6 | -60.5 | -21.3 | 0 | 0 | 112.5 | S23 Q26 C27 L40 A41 E42 Q46 D47 F48 | S23-Q44 PolarHBondContact OG-OE1 3.32Å; Q26-Q44 HydrophobicContact CB-CG 4.12Å; C27-Q44 HydrophobicContact CB-CB 3.7Å; L40-Q44 HydrophobicContact CD1-CG 4.47Å; L40-Q44 WeakPolarHBondContact O-CG 3.46Å; L40-Q44 PolarHBondContact O-N 3.22Å; A41-Q44 PolarHBondContact O-N 3.13Å; E42-Q44 VanDerWaalsContact C-N 3.32Å; E42-Q44 PolarHBondContact O-N 3.27Å; Q44-Q46 VanDerWaalsContact C-N 3.34Å; Q44-D47 PolarHBondContact O-N 3.38Å; Q44-F48 WeakPolarHBondContact O-CB 3.37Å; Q44-F48 PolarHBondContact O-N 2.83Å |
| 45 | A | 97.4 | Very high | 96.8 | Very high | 41 Ų | 41 | 79.5 Ų | 79.5 | 34% | 0.339 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A41 E42 T49 | A41-A45 WeakPolarHBondContact O-CB 3.34Å; A41-A45 PolarHBondContact O-N 3.37Å; E42-A45 PolarHBondContact O-N 3.06Å; A45-T49 PolarHBondContact O-N 2.93Å; A45-T49 PolarHBondContact O-OG1 3.47Å |
| 46 | Q | 97.5 | Very high | 96.9 | Very high | 106 Ų | 106 | 75.7 Ų | 75.7 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.2 | -41.8 | 174.9 | -71.9 | 178.9 | 4.2 | 0 | 0 | 112.1 | E42 S43 Q44 F48 T49 R50 | E42-Q46 WeakPolarHBondContact O-CB 3.31Å; E42-Q46 VanDerWaalsContact O-CG 3.29Å; E42-Q46 WeakPolarHBondContact O-CG 3.36Å; E42-Q46 PolarHBondContact O-N 3.45Å; S43-Q46 PolarHBondContact O-N 3.43Å; Q44-Q46 VanDerWaalsContact C-N 3.34Å; Q46-F48 VanDerWaalsContact C-N 3.34Å; Q46-T49 PolarHBondContact O-N 3.48Å; Q46-R50 WeakPolarHBondContact O-CG 3.46Å; Q46-R50 PolarHBondContact O-N 2.85Å |
| 47 | D | 96.6 | Very high | 96.9 | Very high | 43 Ų | 43 | 79.1 Ų | 79.1 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 174.3 | -79.6 | -37.8 | 0 | 0 | 0 | 111.5 | S43 Q44 R50 R51 | S43-D47 PolarHBondContact O-N 3.32Å; Q44-D47 PolarHBondContact O-N 3.38Å; D47-R50 PolarHBondContact O-N 3.09Å; D47-R50 IonicContact OD1-CZ 3.55Å; D47-R50 IonicContact OD1-NE 3.69Å; D47-R50 IonicContact OD1-NH2 2.65Å; D47-R50 PolarHBondContact OD1-NH2 3.25Å; D47-R51 WeakPolarHBondContact O-CB 3.37Å; D47-R51 VanDerWaalsContact O-CG 3.29Å; D47-R51 WeakPolarHBondContact O-CG 3.4Å; D47-R51 PolarHBondContact O-N 2.87Å |
| 48 | F | 97.9 | Very high | 96.9 | Very high | 68 Ų | 68 | 78.5 Ų | 78.5 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.6 | -52.6 | 172.2 | 173.5 | -91 | 0 | 0 | 0 | 111.2 | L20 A24 Q44 Q46 R50 R51 L52 | L20-F48 HydrophobicContact CD1-CB 4.39Å; L20-F48 HydrophobicContact CD1-CD2 3.35Å; L20-F48 HydrophobicContact CD1-CE2 3.62Å; L20-F48 HydrophobicContact CD1-CG 3.87Å; L20-F48 HydrophobicContact CD1-CZ 4.31Å; L20-F48 WeakPolarHBondContact CD1-O 3.4Å; L20-F48 HydrophobicContact CD2-CE2 4.1Å; L20-F48 HydrophobicContact CG-CD2 3.66Å; L20-F48 HydrophobicContact CG-CE2 3.59Å; L20-F48 HydrophobicContact CG-CZ 4.49Å; L20-F48 WeakPolarHBondContact O-CD2 3.46Å; A24-F48 HydrophobicContact CB-CD2 3.73Å; A24-F48 HydrophobicContact CB-CE2 3.95Å; Q44-F48 WeakPolarHBondContact O-CB 3.37Å; Q44-F48 PolarHBondContact O-N 2.83Å; Q46-F48 VanDerWaalsContact C-N 3.34Å; F48-R50 PolarHBondContact O-N 3.14Å; F48-R51 PolarHBondContact O-N 2.81Å; F48-L52 HydrophobicContact CE1-CD2 4.05Å; F48-L52 HydrophobicContact CZ-CD2 4.37Å; F48-L52 WeakPolarHBondContact O-CB 3.47Å; F48-L52 PolarHBondContact O-N 3.32Å |
| 49 | T | 97.7 | Very high | 96.8 | Very high | 68 Ų | 68 | 77.5 Ų | 77.5 | 42% | 0.417 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61 | -45 | -177.5 | -54 | 0 | 0 | 0 | 0 | 111.9 | A45 Q46 R51 L52 Q53 | A45-T49 PolarHBondContact O-N 2.93Å; A45-T49 PolarHBondContact O-OG1 3.47Å; Q46-T49 PolarHBondContact O-N 3.48Å; T49-R51 PolarHBondContact O-N 3.12Å; T49-L52 PolarHBondContact O-N 3.42Å; T49-Q53 WeakPolarHBondContact O-CG 3.38Å; T49-Q53 PolarHBondContact O-N 2.87Å |
| 50 | R | 96.6 | Very high | 96.7 | Very high | 122 Ų | 122 | 70.8 Ų | 70.8 | 46% | 0.46 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 177.9 | -75.4 | -171.9 | -71 | -97.5 | 4.4 | 112.1 | Q46 D47 F48 Q53 A54 | Q46-R50 WeakPolarHBondContact O-CG 3.46Å; Q46-R50 PolarHBondContact O-N 2.85Å; D47-R50 PolarHBondContact O-N 3.09Å; D47-R50 IonicContact OD1-CZ 3.55Å; D47-R50 IonicContact OD1-NE 3.69Å; D47-R50 IonicContact OD1-NH2 2.65Å; D47-R50 PolarHBondContact OD1-NH2 3.25Å; F48-R50 PolarHBondContact O-N 3.14Å; R50-Q53 PolarHBondContact O-N 3.36Å; R50-A54 PolarHBondContact O-N 3.07Å; R50-A54 VanDerWaalsContact O-N 3.13Å |
| 51 | R | 96 | Very high | 96.5 | Very high | 95 Ų | 95 | 70.5 Ų | 70.5 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 178.5 | -72.9 | 176.1 | -171.8 | -77.3 | -1.7 | 111.3 | L20 D47 F48 T49 Q53 A54 I55 | L20-R51 HydrophobicContact CB-CB 4.46Å; L20-R51 HydrophobicContact CD1-CB 3.69Å; D47-R51 WeakPolarHBondContact O-CB 3.37Å; D47-R51 VanDerWaalsContact O-CG 3.29Å; D47-R51 WeakPolarHBondContact O-CG 3.4Å; D47-R51 PolarHBondContact O-N 2.87Å; F48-R51 PolarHBondContact O-N 2.81Å; T49-R51 PolarHBondContact O-N 3.12Å; R51-Q53 VanDerWaalsContact C-N 3.34Å; R51-Q53 PolarHBondContact O-N 3.08Å; R51-A54 PolarHBondContact O-N 3.28Å; R51-I55 WeakPolarHBondContact O-CB 3.39Å; R51-I55 WeakPolarHBondContact O-CD1 3.31Å; R51-I55 VanDerWaalsContact O-CG1 3.3Å; R51-I55 WeakPolarHBondContact O-CG1 3.45Å; R51-I55 PolarHBondContact O-N 2.96Å |
| 52 | L | 98.1 | Very high | 96.2 | Very high | 73 Ų | 73 | 70.6 Ų | 70.6 | 38% | 0.382 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 177.9 | -177.4 | 62.1 | 0 | 0 | 0 | 110.9 | L20 F48 T49 A54 I55 E56 | L20-L52 HydrophobicContact CD1-CB 3.94Å; L20-L52 HydrophobicContact CD2-CD1 4.12Å; F48-L52 HydrophobicContact CE1-CD2 4.05Å; F48-L52 HydrophobicContact CZ-CD2 4.37Å; F48-L52 WeakPolarHBondContact O-CB 3.47Å; F48-L52 PolarHBondContact O-N 3.32Å; T49-L52 PolarHBondContact O-N 3.42Å; L52-A54 VanDerWaalsContact C-N 3.34Å; L52-A54 PolarHBondContact O-N 2.84Å; L52-I55 PolarHBondContact O-N 3.39Å; L52-E56 WeakPolarHBondContact O-CB 3.37Å; L52-E56 PolarHBondContact O-N 2.75Å |
| 53 | Q | 97.6 | Very high | 95.8 | Very high | 120 Ų | 120 | 69.8 Ų | 69.8 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60 | -41.8 | 176.9 | -71.7 | 173.1 | -22.1 | 0 | 0 | 112.5 | T49 R50 R51 K57 | T49-Q53 WeakPolarHBondContact O-CG 3.38Å; T49-Q53 PolarHBondContact O-N 2.87Å; R50-Q53 PolarHBondContact O-N 3.36Å; R51-Q53 VanDerWaalsContact C-N 3.34Å; R51-Q53 PolarHBondContact O-N 3.08Å; Q53-K57 WeakPolarHBondContact O-CB 3.44Å; Q53-K57 PolarHBondContact O-N 3.29Å |
| 54 | A | 95.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 71.5 Ų | 71.5 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R50 R51 L52 T58 | R50-A54 PolarHBondContact O-N 3.07Å; R50-A54 VanDerWaalsContact O-N 3.13Å; R51-A54 PolarHBondContact O-N 3.28Å; L52-A54 VanDerWaalsContact C-N 3.34Å; L52-A54 PolarHBondContact O-N 2.84Å; A54-T58 PolarHBondContact O-N 2.94Å; A54-T58 VanDerWaalsContact O-N 3.14Å; A54-T58 PolarHBondContact O-OG1 3.4Å |
| 55 | I | 97.6 | Very high | 94.6 | Very high | 12 Ų | 12 | 73 Ų | 73 | 6% | 0.062 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.8 | -51.8 | 175.4 | -72.8 | 161.6 | 0 | 0 | 0 | 110.1 | V13 I17 L20 R51 L52 K57 T58 I59 | V13-I55 HydrophobicContact CG1-CG2 3.86Å; I17-I55 HydrophobicContact CG1-CD1 3.88Å; I17-I55 HydrophobicContact CG1-CG2 4.33Å; L20-I55 HydrophobicContact CB-CD1 4.2Å; L20-I55 HydrophobicContact CD2-CD1 4.04Å; R51-I55 WeakPolarHBondContact O-CB 3.39Å; R51-I55 WeakPolarHBondContact O-CD1 3.31Å; R51-I55 VanDerWaalsContact O-CG1 3.3Å; R51-I55 WeakPolarHBondContact O-CG1 3.45Å; R51-I55 PolarHBondContact O-N 2.96Å; L52-I55 PolarHBondContact O-N 3.39Å; I55-K57 VanDerWaalsContact C-N 3.35Å; I55-K57 PolarHBondContact O-N 2.72Å; I55-T58 PolarHBondContact O-N 3.43Å; I55-T58 VanDerWaalsContact O-N 3.13Å; I55-I59 HydrophobicContact CG2-CD1 3.63Å; I55-I59 HydrophobicContact CG2-CG1 4.35Å; I55-I59 WeakPolarHBondContact O-CG1 3.04Å; I55-I59 PolarHBondContact O-N 3.14Å |
| 56 | E | 97.3 | Very high | 93.8 | Very high | 109 Ų | 109 | 76.2 Ų | 76.2 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.1 | -49 | 180 | -179.7 | 178.3 | -167.9 | 0 | 0 | 111.2 | L52 T58 I59 I60 | L52-E56 WeakPolarHBondContact O-CB 3.37Å; L52-E56 PolarHBondContact O-N 2.75Å; E56-T58 VanDerWaalsContact C-N 3.32Å; E56-T58 PolarHBondContact O-N 3.2Å; E56-I59 PolarHBondContact O-N 2.99Å; E56-I60 HydrophobicContact CG-CD1 3.7Å; E56-I60 HydrophobicContact CG-CG1 4.41Å; E56-I60 WeakPolarHBondContact O-CB 3.18Å; E56-I60 VanDerWaalsContact O-CG1 3.28Å; E56-I60 WeakPolarHBondContact O-CG1 3.46Å; E56-I60 PolarHBondContact O-N 3.26Å |
| 57 | K | 96.2 | Very high | 92.9 | Very high | 132 Ų | 132 | 74.1 Ų | 74.1 | 57% | 0.574 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -55.1 | -47.7 | 176.1 | 179.2 | 179.2 | 173.5 | -178.3 | 0 | 111.8 | Q53 I55 I60 E61 | Q53-K57 WeakPolarHBondContact O-CB 3.44Å; Q53-K57 PolarHBondContact O-N 3.29Å; I55-K57 VanDerWaalsContact C-N 3.35Å; I55-K57 PolarHBondContact O-N 2.72Å; K57-I60 PolarHBondContact O-N 3.27Å; K57-E61 WeakPolarHBondContact CE-OE1 3.5Å; K57-E61 VanDerWaalsContact O-CG 3.31Å; K57-E61 WeakPolarHBondContact O-CG 3.5Å; K57-E61 PolarHBondContact O-N 3.18Å |
| 58 | T | 95.3 | Very high | 91.9 | Very high | 32 Ų | 32 | 78 Ų | 78 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.1 | -41.5 | -177.7 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | K9 V13 A54 I55 E56 E61 Q62 | K9-T58 HydrophobicContact CB-CG2 4.46Å; V13-T58 HydrophobicContact CG2-CG2 3.51Å; A54-T58 PolarHBondContact O-N 2.94Å; A54-T58 VanDerWaalsContact O-N 3.14Å; A54-T58 PolarHBondContact O-OG1 3.4Å; I55-T58 PolarHBondContact O-N 3.43Å; I55-T58 VanDerWaalsContact O-N 3.13Å; E56-T58 VanDerWaalsContact C-N 3.32Å; E56-T58 PolarHBondContact O-N 3.2Å; T58-E61 WeakPolarHBondContact O-CB 3.41Å; T58-E61 PolarHBondContact O-N 3.04Å; T58-Q62 WeakPolarHBondContact O-CG 3.31Å; T58-Q62 PolarHBondContact O-N 2.86Å |
| 59 | I | 95.1 | Very high | 90.7 | Very high | 62 Ų | 62 | 76.2 Ų | 76.2 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 177.1 | -70 | 173.6 | 0 | 0 | 0 | 110.4 | V13 I55 E56 E61 Q62 I63 | V13-I59 HydrophobicContact CG1-CD1 4.08Å; V13-I59 HydrophobicContact CG1-CG1 4.09Å; I55-I59 HydrophobicContact CG2-CD1 3.63Å; I55-I59 HydrophobicContact CG2-CG1 4.35Å; I55-I59 WeakPolarHBondContact O-CG1 3.04Å; I55-I59 PolarHBondContact O-N 3.14Å; E56-I59 PolarHBondContact O-N 2.99Å; I59-E61 VanDerWaalsContact C-N 3.31Å; I59-E61 PolarHBondContact O-N 3.46Å; I59-Q62 PolarHBondContact O-N 3.27Å; I59-Q62 VanDerWaalsContact O-N 3.08Å; I59-I63 HydrophobicContact CG2-CD1 3.62Å; I59-I63 HydrophobicContact CG2-CG1 4.21Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.4Å |
| 60 | I | 93.9 | Very high | 89.2 | Confident | 78 Ų | 78 | 75.8 Ų | 75.8 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 176.8 | -69.4 | 168.8 | 0 | 0 | 0 | 110.6 | E56 K57 Q62 I63 N64 | E56-I60 HydrophobicContact CG-CD1 3.7Å; E56-I60 HydrophobicContact CG-CG1 4.41Å; E56-I60 WeakPolarHBondContact O-CB 3.18Å; E56-I60 VanDerWaalsContact O-CG1 3.28Å; E56-I60 WeakPolarHBondContact O-CG1 3.46Å; E56-I60 PolarHBondContact O-N 3.26Å; K57-I60 PolarHBondContact O-N 3.27Å; I60-Q62 VanDerWaalsContact C-N 3.3Å; I60-Q62 PolarHBondContact O-N 3.12Å; I60-I63 PolarHBondContact O-N 2.96Å; I60-N64 WeakPolarHBondContact O-CB 3.44Å; I60-N64 PolarHBondContact O-N 3.1Å; I60-N64 PolarHBondContact O-ND2 2.99Å |
| 61 | E | 92.3 | Very high | 87.5 | Confident | 76 Ų | 76 | 75.6 Ų | 75.6 | 36% | 0.355 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.7 | -40.5 | 175.2 | -75.7 | 173.4 | -168.1 | 0 | 0 | 112.4 | K57 T58 I59 Y65 | K57-E61 WeakPolarHBondContact CE-OE1 3.5Å; K57-E61 VanDerWaalsContact O-CG 3.31Å; K57-E61 WeakPolarHBondContact O-CG 3.5Å; K57-E61 PolarHBondContact O-N 3.18Å; T58-E61 WeakPolarHBondContact O-CB 3.41Å; T58-E61 PolarHBondContact O-N 3.04Å; I59-E61 VanDerWaalsContact C-N 3.31Å; I59-E61 PolarHBondContact O-N 3.46Å; E61-Y65 WeakPolarHBondContact O-CB 3.44Å; E61-Y65 PolarHBondContact O-N 3.31Å; E61-Y65 VanDerWaalsContact O-N 3.12Å |
| 62 | Q | 90.5 | Very high | 85.3 | Confident | 10 Ų | 10 | 73.2 Ų | 73.2 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -74.5 | -36.6 | 177.4 | -62 | -37.8 | -55.3 | 0 | 0 | 112.9 | L10 T58 I59 I60 Y65 L66 | L10-Q62 HydrophobicContact CD2-CB 4.26Å; L10-Q62 HydrophobicContact CD2-CG 3.81Å; L10-Q62 HydrophobicContact CG-CG 4.12Å; T58-Q62 WeakPolarHBondContact O-CG 3.31Å; T58-Q62 PolarHBondContact O-N 2.86Å; I59-Q62 PolarHBondContact O-N 3.27Å; I59-Q62 VanDerWaalsContact O-N 3.08Å; I60-Q62 VanDerWaalsContact C-N 3.3Å; I60-Q62 PolarHBondContact O-N 3.12Å; Q62-Y65 PolarHBondContact O-N 3.01Å; Q62-L66 WeakPolarHBondContact O-CB 3.41Å; Q62-L66 WeakPolarHBondContact O-CG 3.5Å; Q62-L66 PolarHBondContact O-N 2.99Å |
| 63 | I | 87.5 | Confident | 83 | Confident | 90 Ų | 90 | 74.2 Ų | 74.2 | 46% | 0.462 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 174.7 | -70.4 | 171.9 | 0 | 0 | 0 | 110.5 | I59 I60 Y65 L66 S67 | I59-I63 HydrophobicContact CG2-CD1 3.62Å; I59-I63 HydrophobicContact CG2-CG1 4.21Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.4Å; I60-I63 PolarHBondContact O-N 2.96Å; I63-Y65 VanDerWaalsContact C-N 3.33Å; I63-Y65 PolarHBondContact O-N 3.38Å; I63-L66 PolarHBondContact O-N 3.42Å; I63-S67 WeakPolarHBondContact O-CB 3.46Å; I63-S67 PolarHBondContact O-N 3.48Å; I63-S67 PolarHBondContact O-OG 3.44Å |
| 64 | N | 86 | Confident | 80.7 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 45% | 0.449 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 176.8 | -72.3 | -16 | 0 | 0 | 0 | 110.5 | I60 L66 S67 E68 | I60-N64 WeakPolarHBondContact O-CB 3.44Å; I60-N64 PolarHBondContact O-N 3.1Å; I60-N64 PolarHBondContact O-ND2 2.99Å; N64-L66 PolarHBondContact O-N 2.64Å; N64-S67 WeakPolarHBondContact O-CB 3.47Å; N64-S67 PolarHBondContact O-N 3.15Å; N64-S67 VanDerWaalsContact O-N 3.14Å; N64-E68 VanDerWaalsContact O-CG 3.31Å; N64-E68 WeakPolarHBondContact O-CG 3.45Å; N64-E68 PolarHBondContact O-N 3.17Å |
| 65 | Y | 83.2 | Confident | 78.7 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 22% | 0.22 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59 | -48 | 173.8 | 169.7 | -106.6 | 0 | 0 | 0 | 112.5 | R6 E61 Q62 I63 S67 E68 V69 | R6-Y65 VanDerWaalsContact CD-CD1 3.5Å; R6-Y65 VanDerWaalsContact NH1-CB 3.32Å; E61-Y65 WeakPolarHBondContact O-CB 3.44Å; E61-Y65 PolarHBondContact O-N 3.31Å; E61-Y65 VanDerWaalsContact O-N 3.12Å; Q62-Y65 PolarHBondContact O-N 3.01Å; I63-Y65 VanDerWaalsContact C-N 3.33Å; I63-Y65 PolarHBondContact O-N 3.38Å; Y65-S67 PolarHBondContact O-N 3.17Å; Y65-E68 WeakPolarHBondContact O-CB 3.36Å; Y65-E68 PolarHBondContact O-N 3.27Å; Y65-E68 VanDerWaalsContact O-N 3.09Å; Y65-V69 HydrophobicContact CD1-CG2 4.28Å; Y65-V69 HydrophobicContact CD2-CG1 3.84Å; Y65-V69 HydrophobicContact CE1-CG1 4.33Å; Y65-V69 HydrophobicContact CE1-CG2 3.87Å; Y65-V69 HydrophobicContact CE2-CB 4.44Å; Y65-V69 HydrophobicContact CE2-CG1 3.28Å; Y65-V69 HydrophobicContact CE2-CG2 4.33Å; Y65-V69 WeakPolarHBondContact O-CG2 3.47Å; Y65-V69 PolarHBondContact O-N 2.97Å |
| 66 | L | 80.7 | Confident | 76.2 | Confident | 110 Ų | 110 | 78.4 Ų | 78.4 | 58% | 0.576 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.8 | -33.4 | 176.5 | -79 | 173.3 | 0 | 0 | 0 | 112.1 | Q62 I63 N64 V69 G70 | Q62-L66 WeakPolarHBondContact O-CB 3.41Å; Q62-L66 WeakPolarHBondContact O-CG 3.5Å; Q62-L66 PolarHBondContact O-N 2.99Å; I63-L66 PolarHBondContact O-N 3.42Å; N64-L66 PolarHBondContact O-N 2.64Å; L66-V69 HydrophobicContact CD2-CG2 4.47Å; L66-G70 WeakPolarHBondContact O-CA 3.03Å; L66-G70 PolarHBondContact O-N 2.94Å |
| 67 | S | 78.8 | Confident | 74.2 | Confident | 62 Ų | 62 | 77.5 Ų | 77.5 | 43% | 0.434 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 173.5 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | I63 N64 Y65 V71 | I63-S67 WeakPolarHBondContact O-CB 3.46Å; I63-S67 PolarHBondContact O-N 3.48Å; I63-S67 PolarHBondContact O-OG 3.44Å; N64-S67 WeakPolarHBondContact O-CB 3.47Å; N64-S67 PolarHBondContact O-N 3.15Å; N64-S67 VanDerWaalsContact O-N 3.14Å; Y65-S67 PolarHBondContact O-N 3.17Å; S67-V71 WeakPolarHBondContact O-CB 3.24Å; S67-V71 VanDerWaalsContact O-CG2 3.22Å; S67-V71 WeakPolarHBondContact O-CG2 3.43Å; S67-V71 PolarHBondContact O-N 3.42Å |
| 68 | E | 76 | Confident | 72.2 | Confident | 123 Ų | 123 | 73.7 Ų | 73.7 | 58% | 0.575 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65 | -40.4 | 177.2 | -71.2 | 167.9 | -169.5 | 0 | 0 | 112.6 | N64 Y65 | N64-E68 VanDerWaalsContact O-CG 3.31Å; N64-E68 WeakPolarHBondContact O-CG 3.45Å; N64-E68 PolarHBondContact O-N 3.17Å; Y65-E68 WeakPolarHBondContact O-CB 3.36Å; Y65-E68 PolarHBondContact O-N 3.27Å; Y65-E68 VanDerWaalsContact O-N 3.09Å |
| 69 | V | 73.2 | Confident | 70.3 | Confident | 31 Ų | 31 | 74.3 Ų | 74.3 | 19% | 0.188 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -91.9 | -30.5 | -178.2 | -57.8 | 0 | 0 | 0 | 0 | 114.1 | Y65 L66 H75 | Y65-V69 HydrophobicContact CD1-CG2 4.28Å; Y65-V69 HydrophobicContact CD2-CG1 3.84Å; Y65-V69 HydrophobicContact CE1-CG1 4.33Å; Y65-V69 HydrophobicContact CE1-CG2 3.87Å; Y65-V69 HydrophobicContact CE2-CB 4.44Å; Y65-V69 HydrophobicContact CE2-CG1 3.28Å; Y65-V69 HydrophobicContact CE2-CG2 4.33Å; Y65-V69 WeakPolarHBondContact O-CG2 3.47Å; Y65-V69 PolarHBondContact O-N 2.97Å; L66-V69 HydrophobicContact CD2-CG2 4.47Å; V69-H75 HydrophobicContact CB-CB 4.11Å; V69-H75 HydrophobicContact CG1-CB 4.45Å; V69-H75 WeakPolarHBondContact O-CB 3.34Å |
| 70 | G | 64.6 | Low | 68.5 | Low | 60 Ų | 60 | 77.5 Ų | 77.5 | 62% | 0.619 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -87.5 | -25.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L66 G72 | L66-G70 WeakPolarHBondContact O-CA 3.03Å; L66-G70 PolarHBondContact O-N 2.94Å; G70-G72 PolarHBondContact O-N 3.5Å |
| 71 | V | 61.4 | Low | 67 | Low | 117 Ų | 117 | 75.1 Ų | 75.1 | 71% | 0.709 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -80.9 | 10.9 | 178.7 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | S67 A73 | S67-V71 WeakPolarHBondContact O-CB 3.24Å; S67-V71 VanDerWaalsContact O-CG2 3.22Å; S67-V71 WeakPolarHBondContact O-CG2 3.43Å; S67-V71 PolarHBondContact O-N 3.42Å; V71-A73 PolarHBondContact O-N 3.1Å |
| 72 | G | 49.4 | Very low | 66 | Low | 45 Ų | 45 | 77.8 Ų | 77.8 | 46% | 0.464 | 46% | 0.462 | S | S | . | . | S | Bend | trans | 73.9 | -7.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | G70 | G70-G72 PolarHBondContact O-N 3.5Š|
| 73 | A | 50.6 | Low | 65.5 | Low | 95 Ų | 95 | 81 Ų | 81 | 79% | 0.785 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -91.4 | -28.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | V71 | V71-A73 PolarHBondContact O-N 3.1Š|
| 74 | A | 48.9 | Very low | 65 | Low | 62 Ų | 62 | 80.8 Ų | 80.8 | 51% | 0.512 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -110.9 | -12 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S77 | A74-S77 PolarHBondContact O-OG 2.99Š|
| 75 | H | 54.3 | Low | 64.8 | Low | 68 Ų | 68 | 81.8 Ų | 81.8 | 32% | 0.315 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -93.8 | -10.5 | -171 | 141.7 | -86.5 | 0 | 0 | 0 | 115.3 | V69 S77 S78 | V69-H75 HydrophobicContact CB-CB 4.11Å; V69-H75 HydrophobicContact CG1-CB 4.45Å; V69-H75 WeakPolarHBondContact O-CB 3.34Å; H75-S77 PolarHBondContact O-N 2.98Å; H75-S78 PolarHBondContact O-N 2.76Å |
| 76 | E | 45.6 | Very low | 65 | Low | 145 Ų | 145 | 84.7 Ų | 84.7 | 68% | 0.678 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -53.5 | -23.5 | 165.4 | -72.2 | -170.3 | 163.5 | 0 | 0 | 111.9 | S81 | E76-S81 PolarHBondContact O-N 3.07Š|
| 77 | S | 53.9 | Low | 65.4 | Low | 89 Ų | 89 | 83 Ų | 83 | 62% | 0.622 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -93.2 | -8.5 | -175.2 | 74.7 | 0 | 0 | 0 | 0 | 116.9 | A74 H75 S81 | A74-S77 PolarHBondContact O-OG 2.99Å; H75-S77 PolarHBondContact O-N 2.98Å; S77-S81 WeakPolarHBondContact O-CB 3.28Å; S77-S81 PolarHBondContact O-OG 3.3Å |
| 78 | S | 55.2 | Low | 65.9 | Low | 52 Ų | 52 | 81.9 Ų | 81.9 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -56.7 | -178.2 | 73.1 | 0 | 0 | 0 | 0 | 115.2 | H75 S81 Q82 | H75-S78 PolarHBondContact O-N 2.76Å; S78-S81 VanDerWaalsContact CA-OG 3.23Å; S78-S81 WeakPolarHBondContact CA-OG 3.37Å; S78-S81 PolarHBondContact N-OG 3.47Å; S78-S81 PolarHBondContact O-OG 2.7Å; S78-S81 VanDerWaalsContact O-OG 3.07Å; S78-Q82 WeakPolarHBondContact O-CB 3.08Å; S78-Q82 VanDerWaalsContact O-CD 3.27Å; S78-Q82 WeakPolarHBondContact O-CG 3.23Å; S78-Q82 PolarHBondContact O-N 3.22Å; S78-Q82 PolarHBondContact O-NE2 3.5Å |
| 79 | A | 55.6 | Low | 66.8 | Low | 45 Ų | 45 | 79.9 Ų | 79.9 | 37% | 0.372 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -85.1 | -45.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S81 Q82 V83 | A79-S81 VanDerWaalsContact C-N 3.32Å; A79-S81 PolarHBondContact O-N 3.38Å; A79-Q82 PolarHBondContact O-N 3.22Å; A79-V83 WeakPolarHBondContact O-CG2 3.03Å; A79-V83 PolarHBondContact O-N 3.07Å |
| 80 | Y | 57.1 | Low | 67.9 | Low | 129 Ų | 129 | 82.3 Ų | 82.3 | 51% | 0.506 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 171.8 | -166.9 | -98.9 | 0 | 0 | 0 | 110.9 | Q82 V83 Q84 | Y80-Q82 PolarHBondContact O-N 3.33Å; Y80-V83 PolarHBondContact O-N 2.53Å; Y80-Q84 HydrophobicContact CD1-CG 3.67Å; Y80-Q84 HydrophobicContact CE1-CG 3.45Å; Y80-Q84 VanDerWaalsContact CE1-CG 3.45Å; Y80-Q84 HydrophobicContact CG-CG 4.41Å; Y80-Q84 VanDerWaalsContact CZ-NE2 3.29Å; Y80-Q84 WeakPolarHBondContact O-CB 3.22Å; Y80-Q84 VanDerWaalsContact O-CG 3.23Å; Y80-Q84 WeakPolarHBondContact O-CG 3.18Å; Y80-Q84 PolarHBondContact O-N 3.03Å; Y80-Q84 PolarHBondContact OH-NE2 2.82Å; Y80-Q84 VanDerWaalsContact OH-NE2 3.07Å |
| 81 | S | 62.7 | Low | 69.4 | Low | 28 Ų | 28 | 85.9 Ų | 85.9 | 20% | 0.196 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 172.7 | 77.4 | 0 | 0 | 0 | 0 | 112.7 | E76 S77 S78 A79 V83 Q84 I85 | E76-S81 PolarHBondContact O-N 3.07Å; S77-S81 WeakPolarHBondContact O-CB 3.28Å; S77-S81 PolarHBondContact O-OG 3.3Å; S78-S81 VanDerWaalsContact CA-OG 3.23Å; S78-S81 WeakPolarHBondContact CA-OG 3.37Å; S78-S81 PolarHBondContact N-OG 3.47Å; S78-S81 PolarHBondContact O-OG 2.7Å; S78-S81 VanDerWaalsContact O-OG 3.07Å; A79-S81 VanDerWaalsContact C-N 3.32Å; A79-S81 PolarHBondContact O-N 3.38Å; S81-V83 VanDerWaalsContact C-N 3.32Å; S81-V83 PolarHBondContact O-N 2.82Å; S81-Q84 PolarHBondContact O-N 2.83Å; S81-I85 WeakPolarHBondContact O-CA 3.26Å; S81-I85 WeakPolarHBondContact O-CB 3.23Å; S81-I85 WeakPolarHBondContact O-CD1 3.5Å; S81-I85 WeakPolarHBondContact O-CG1 3.35Å; S81-I85 PolarHBondContact O-N 3.32Å |
| 82 | Q | 71.4 | Confident | 71.1 | Confident | 133 Ų | 133 | 87.4 Ų | 87.4 | 62% | 0.621 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 176.6 | -84.9 | 168.6 | 68.5 | 0 | 0 | 111.4 | S78 A79 Y80 K86 | S78-Q82 WeakPolarHBondContact O-CB 3.08Å; S78-Q82 VanDerWaalsContact O-CD 3.27Å; S78-Q82 WeakPolarHBondContact O-CG 3.23Å; S78-Q82 PolarHBondContact O-N 3.22Å; S78-Q82 PolarHBondContact O-NE2 3.5Å; A79-Q82 PolarHBondContact O-N 3.22Å; Y80-Q82 PolarHBondContact O-N 3.33Å; Q82-K86 VanDerWaalsContact O-CB 3.26Å; Q82-K86 WeakPolarHBondContact O-CB 3.07Å; Q82-K86 PolarHBondContact O-N 3.32Å |
| 83 | V | 79.3 | Confident | 73.4 | Confident | 78 Ų | 78 | 88.4 Ų | 88.4 | 47% | 0.473 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 111 | A79 Y80 S81 K86 L87 | A79-V83 WeakPolarHBondContact O-CG2 3.03Å; A79-V83 PolarHBondContact O-N 3.07Å; Y80-V83 PolarHBondContact O-N 2.53Å; S81-V83 VanDerWaalsContact C-N 3.32Å; S81-V83 PolarHBondContact O-N 2.82Å; V83-K86 PolarHBondContact O-N 3.45Å; V83-L87 HydrophobicContact CG1-CD1 3.78Å; V83-L87 HydrophobicContact CG1-CG 4.44Å; V83-L87 WeakPolarHBondContact O-CB 3.19Å; V83-L87 VanDerWaalsContact O-CG 3.3Å; V83-L87 WeakPolarHBondContact O-CG 3.36Å; V83-L87 PolarHBondContact O-N 2.85Å |
| 84 | Q | 78 | Confident | 75.6 | Confident | 84 Ų | 84 | 88.3 Ų | 88.3 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 175.9 | -72.6 | -65.3 | -31.5 | 0 | 0 | 112.3 | Y80 S81 L87 A88 | Y80-Q84 HydrophobicContact CD1-CG 3.67Å; Y80-Q84 HydrophobicContact CE1-CG 3.45Å; Y80-Q84 VanDerWaalsContact CE1-CG 3.45Å; Y80-Q84 HydrophobicContact CG-CG 4.41Å; Y80-Q84 VanDerWaalsContact CZ-NE2 3.29Å; Y80-Q84 WeakPolarHBondContact O-CB 3.22Å; Y80-Q84 VanDerWaalsContact O-CG 3.23Å; Y80-Q84 WeakPolarHBondContact O-CG 3.18Å; Y80-Q84 PolarHBondContact O-N 3.03Å; Y80-Q84 PolarHBondContact OH-NE2 2.82Å; Y80-Q84 VanDerWaalsContact OH-NE2 3.07Å; S81-Q84 PolarHBondContact O-N 2.83Å; Q84-L87 PolarHBondContact O-N 3.39Å; Q84-A88 WeakPolarHBondContact O-CB 3.37Å; Q84-A88 PolarHBondContact O-N 3.16Å |
| 85 | I | 81.5 | Confident | 77.9 | Confident | 105 Ų | 105 | 92.7 Ų | 92.7 | 54% | 0.538 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 174.6 | -72.5 | 163.7 | 0 | 0 | 0 | 109.3 | S81 A88 V89 | S81-I85 WeakPolarHBondContact O-CA 3.26Å; S81-I85 WeakPolarHBondContact O-CB 3.23Å; S81-I85 WeakPolarHBondContact O-CD1 3.5Å; S81-I85 WeakPolarHBondContact O-CG1 3.35Å; S81-I85 PolarHBondContact O-N 3.32Å; I85-A88 PolarHBondContact O-N 3.41Å; I85-V89 HydrophobicContact CG2-CG2 4.36Å; I85-V89 WeakPolarHBondContact O-CB 3.3Å; I85-V89 WeakPolarHBondContact O-CG2 3.38Å; I85-V89 PolarHBondContact O-N 3.46Å |
| 86 | K | 86.3 | Confident | 80 | Confident | 118 Ų | 118 | 93.8 Ų | 93.8 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -50.8 | 175.6 | 177.1 | -177.4 | 171.3 | -72.1 | 0 | 110.9 | Q82 V83 A88 V89 E90 | Q82-K86 VanDerWaalsContact O-CB 3.26Å; Q82-K86 WeakPolarHBondContact O-CB 3.07Å; Q82-K86 PolarHBondContact O-N 3.32Å; V83-K86 PolarHBondContact O-N 3.45Å; K86-A88 VanDerWaalsContact C-N 3.35Å; K86-A88 PolarHBondContact O-N 2.79Å; K86-V89 PolarHBondContact O-N 3.42Å; K86-V89 VanDerWaalsContact O-N 3.16Å; K86-E90 VanDerWaalsContact CE-OE1 3.31Å; K86-E90 WeakPolarHBondContact CE-OE1 3.17Å; K86-E90 IonicContact NZ-OE1 2.83Å; K86-E90 PolarHBondContact NZ-OE1 2.63Å; K86-E90 IonicContact NZ-OE2 2.64Å; K86-E90 PolarHBondContact NZ-OE2 2.83Å; K86-E90 WeakPolarHBondContact O-CG 3.31Å; K86-E90 PolarHBondContact O-N 2.83Å |
| 87 | L | 89.6 | Confident | 82.5 | Confident | 73 Ų | 73 | 94.2 Ų | 94.2 | 38% | 0.382 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 177.6 | -76.6 | 162.2 | 0 | 0 | 0 | 111 | V83 Q84 V89 E90 E91 | V83-L87 HydrophobicContact CG1-CD1 3.78Å; V83-L87 HydrophobicContact CG1-CG 4.44Å; V83-L87 WeakPolarHBondContact O-CB 3.19Å; V83-L87 VanDerWaalsContact O-CG 3.3Å; V83-L87 WeakPolarHBondContact O-CG 3.36Å; V83-L87 PolarHBondContact O-N 2.85Å; Q84-L87 PolarHBondContact O-N 3.39Å; L87-V89 VanDerWaalsContact C-N 3.32Å; L87-V89 PolarHBondContact O-N 2.84Å; L87-E90 WeakPolarHBondContact O-CB 3.26Å; L87-E90 PolarHBondContact O-N 3.04Å; L87-E91 WeakPolarHBondContact O-CG 3.47Å; L87-E91 PolarHBondContact O-N 2.92Å |
| 88 | A | 89.6 | Confident | 84.5 | Confident | 40 Ų | 40 | 96 Ų | 96 | 33% | 0.331 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -34.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q84 I85 K86 K92 | Q84-A88 WeakPolarHBondContact O-CB 3.37Å; Q84-A88 PolarHBondContact O-N 3.16Å; I85-A88 PolarHBondContact O-N 3.41Å; K86-A88 VanDerWaalsContact C-N 3.35Å; K86-A88 PolarHBondContact O-N 2.79Å; A88-K92 WeakPolarHBondContact O-CB 3.38Å; A88-K92 VanDerWaalsContact O-CG 3.26Å; A88-K92 WeakPolarHBondContact O-CG 3.47Å; A88-K92 PolarHBondContact O-N 2.89Å |
| 89 | V | 94 | Very high | 86.5 | Confident | 80 Ų | 80 | 95 Ų | 95 | 49% | 0.485 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69 | -43.3 | 173 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | I85 K86 L87 K92 V93 | I85-V89 HydrophobicContact CG2-CG2 4.36Å; I85-V89 WeakPolarHBondContact O-CB 3.3Å; I85-V89 WeakPolarHBondContact O-CG2 3.38Å; I85-V89 PolarHBondContact O-N 3.46Å; K86-V89 PolarHBondContact O-N 3.42Å; K86-V89 VanDerWaalsContact O-N 3.16Å; L87-V89 VanDerWaalsContact C-N 3.32Å; L87-V89 PolarHBondContact O-N 2.84Å; V89-K92 PolarHBondContact O-N 3.46Å; V89-V93 HydrophobicContact CG1-CG2 4.4Å; V89-V93 WeakPolarHBondContact O-CB 3.48Å; V89-V93 VanDerWaalsContact O-CG2 3.29Å; V89-V93 WeakPolarHBondContact O-CG2 3.45Å; V89-V93 PolarHBondContact O-N 3.49Å |
| 90 | E | 96.3 | Very high | 88.5 | Confident | 82 Ų | 82 | 96.4 Ų | 96.4 | 38% | 0.383 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 175.8 | -73.8 | 173.5 | 149.7 | 0 | 0 | 111.3 | K86 L87 K92 V93 N94 | K86-E90 VanDerWaalsContact CE-OE1 3.31Å; K86-E90 WeakPolarHBondContact CE-OE1 3.17Å; K86-E90 IonicContact NZ-OE1 2.83Å; K86-E90 PolarHBondContact NZ-OE1 2.63Å; K86-E90 IonicContact NZ-OE2 2.64Å; K86-E90 PolarHBondContact NZ-OE2 2.83Å; K86-E90 WeakPolarHBondContact O-CG 3.31Å; K86-E90 PolarHBondContact O-N 2.83Å; L87-E90 WeakPolarHBondContact O-CB 3.26Å; L87-E90 PolarHBondContact O-N 3.04Å; E90-K92 PolarHBondContact O-N 2.94Å; E90-V93 PolarHBondContact O-N 3.27Å; E90-N94 WeakPolarHBondContact O-CB 3.46Å; E90-N94 VanDerWaalsContact O-CG 3.28Å; E90-N94 PolarHBondContact O-N 2.84Å; E90-N94 PolarHBondContact O-ND2 3.36Å |
| 91 | E | 96.6 | Very high | 90.4 | Very high | 135 Ų | 135 | 91.9 Ų | 91.9 | 63% | 0.631 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.7 | -45.4 | 173.7 | -74.6 | 177 | 171.1 | 0 | 0 | 112 | L87 V93 N94 Y95 | L87-E91 WeakPolarHBondContact O-CG 3.47Å; L87-E91 PolarHBondContact O-N 2.92Å; E91-V93 PolarHBondContact O-N 3.3Å; E91-N94 PolarHBondContact O-N 3.18Å; E91-Y95 WeakPolarHBondContact O-CB 3.29Å; E91-Y95 PolarHBondContact O-N 3.21Å |
| 92 | K | 96.3 | Very high | 92 | Very high | 149 Ų | 149 | 96.4 Ų | 96.4 | 65% | 0.648 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.1 | -38.8 | 177.1 | -76.9 | 178.8 | -179 | -175.3 | 0 | 112.7 | A88 V89 E90 Y95 V96 | A88-K92 WeakPolarHBondContact O-CB 3.38Å; A88-K92 VanDerWaalsContact O-CG 3.26Å; A88-K92 WeakPolarHBondContact O-CG 3.47Å; A88-K92 PolarHBondContact O-N 2.89Å; V89-K92 PolarHBondContact O-N 3.46Å; E90-K92 PolarHBondContact O-N 2.94Å; K92-Y95 PolarHBondContact O-N 3.11Å; K92-V96 WeakPolarHBondContact O-CG2 3.47Å; K92-V96 PolarHBondContact O-N 3.42Å; K92-V96 VanDerWaalsContact O-N 3.11Å |
| 93 | V | 97.7 | Very high | 93.1 | Very high | 66 Ų | 66 | 95.2 Ų | 95.2 | 40% | 0.4 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 176.8 | 166.6 | 0 | 0 | 0 | 0 | 110.5 | V89 E90 E91 Y95 V96 Y97 | V89-V93 HydrophobicContact CG1-CG2 4.4Å; V89-V93 WeakPolarHBondContact O-CB 3.48Å; V89-V93 VanDerWaalsContact O-CG2 3.29Å; V89-V93 WeakPolarHBondContact O-CG2 3.45Å; V89-V93 PolarHBondContact O-N 3.49Å; E90-V93 PolarHBondContact O-N 3.27Å; E91-V93 PolarHBondContact O-N 3.3Å; V93-Y95 VanDerWaalsContact C-N 3.35Å; V93-Y95 PolarHBondContact O-N 3.04Å; V93-V96 PolarHBondContact O-N 2.94Å; V93-Y97 HydrophobicContact CG1-CD2 3.71Å; V93-Y97 HydrophobicContact CG1-CE2 3.31Å; V93-Y97 WeakPolarHBondContact O-CD2 3.48Å; V93-Y97 PolarHBondContact O-N 3.47Å |
| 94 | N | 97.8 | Very high | 93.8 | Very high | 94 Ų | 94 | 98 Ų | 98 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 175.5 | -72.5 | -16.7 | 0 | 0 | 0 | 111.6 | E90 E91 V96 Y97 E98 | E90-N94 WeakPolarHBondContact O-CB 3.46Å; E90-N94 VanDerWaalsContact O-CG 3.28Å; E90-N94 PolarHBondContact O-N 2.84Å; E90-N94 PolarHBondContact O-ND2 3.36Å; E91-N94 PolarHBondContact O-N 3.18Å; N94-V96 VanDerWaalsContact C-N 3.31Å; N94-V96 PolarHBondContact O-N 3.49Å; N94-Y97 WeakPolarHBondContact O-CB 3.2Å; N94-Y97 PolarHBondContact O-N 3.47Å; N94-Y97 VanDerWaalsContact O-N 3.1Å; N94-E98 WeakPolarHBondContact O-CG 3.33Å; N94-E98 PolarHBondContact O-N 3.34Å |
| 95 | Y | 97.4 | Very high | 94.6 | Very high | 153 Ų | 153 | 101.7 Ų | 101.7 | 60% | 0.6 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.3 | -42 | 175.7 | 174.5 | -98 | 0 | 0 | 0 | 112.7 | E91 K92 V93 E98 T99 | E91-Y95 WeakPolarHBondContact O-CB 3.29Å; E91-Y95 PolarHBondContact O-N 3.21Å; K92-Y95 PolarHBondContact O-N 3.11Å; V93-Y95 VanDerWaalsContact C-N 3.35Å; V93-Y95 PolarHBondContact O-N 3.04Å; Y95-E98 PolarHBondContact O-N 3.33Å; Y95-T99 WeakPolarHBondContact O-CB 3.28Å; Y95-T99 PolarHBondContact O-N 3.43Å; Y95-T99 PolarHBondContact O-OG1 2.93Å |
| 96 | V | 97.5 | Very high | 95.1 | Very high | 91 Ų | 91 | 104.8 Ų | 104.8 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 176.4 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | K92 V93 N94 L100 | K92-V96 WeakPolarHBondContact O-CG2 3.47Å; K92-V96 PolarHBondContact O-N 3.42Å; K92-V96 VanDerWaalsContact O-N 3.11Å; V93-V96 PolarHBondContact O-N 2.94Å; N94-V96 VanDerWaalsContact C-N 3.31Å; N94-V96 PolarHBondContact O-N 3.49Å; V96-L100 VanDerWaalsContact O-CB 3.28Å; V96-L100 WeakPolarHBondContact O-CB 3.38Å; V96-L100 PolarHBondContact O-N 2.81Å |
| 97 | Y | 97.7 | Very high | 95.5 | Very high | 155 Ų | 155 | 106.9 Ų | 106.9 | 61% | 0.608 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 175.9 | -76.7 | -57.8 | 0 | 0 | 0 | 112.6 | V93 N94 L100 A101 | V93-Y97 HydrophobicContact CG1-CD2 3.71Å; V93-Y97 HydrophobicContact CG1-CE2 3.31Å; V93-Y97 WeakPolarHBondContact O-CD2 3.48Å; V93-Y97 PolarHBondContact O-N 3.47Å; N94-Y97 WeakPolarHBondContact O-CB 3.2Å; N94-Y97 PolarHBondContact O-N 3.47Å; N94-Y97 VanDerWaalsContact O-N 3.1Å; Y97-L100 PolarHBondContact O-N 2.93Å; Y97-A101 WeakPolarHBondContact O-CB 3.34Å; Y97-A101 PolarHBondContact O-N 3.1Å |
| 98 | E | 97.6 | Very high | 95.5 | Very high | 125 Ų | 125 | 108.8 Ų | 108.8 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -49.2 | 176.5 | -72 | 176.9 | 174.1 | 0 | 0 | 111.2 | N94 Y95 L100 A101 E102 | N94-E98 WeakPolarHBondContact O-CG 3.33Å; N94-E98 PolarHBondContact O-N 3.34Å; Y95-E98 PolarHBondContact O-N 3.33Å; E98-L100 VanDerWaalsContact C-N 3.3Å; E98-L100 PolarHBondContact O-N 2.97Å; E98-A101 WeakPolarHBondContact O-CB 3.12Å; E98-A101 PolarHBondContact O-N 3.01Å; E98-E102 PolarHBondContact O-N 2.92Å |
| 99 | T | 97 | Very high | 95.5 | Very high | 33 Ų | 33 | 110.4 Ų | 110.4 | 20% | 0.202 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 177.4 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | Y95 A101 E102 F103 | Y95-T99 WeakPolarHBondContact O-CB 3.28Å; Y95-T99 PolarHBondContact O-N 3.43Å; Y95-T99 PolarHBondContact O-OG1 2.93Å; T99-A101 PolarHBondContact O-N 3.37Å; T99-E102 PolarHBondContact O-N 3.5Å; T99-F103 HydrophobicContact CG2-CD2 3.8Å; T99-F103 HydrophobicContact CG2-CE2 3.37Å; T99-F103 HydrophobicContact CG2-CZ 4.27Å; T99-F103 WeakPolarHBondContact O-CD2 3.4Å; T99-F103 PolarHBondContact O-N 3.05Å |
| 100 | L | 96.7 | Very high | 95.1 | Very high | 74 Ų | 74 | 109.1 Ų | 109.1 | 39% | 0.387 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 176 | -171.1 | 78.9 | 0 | 0 | 0 | 111.9 | V96 Y97 E98 F103 R104 | V96-L100 VanDerWaalsContact O-CB 3.28Å; V96-L100 WeakPolarHBondContact O-CB 3.38Å; V96-L100 PolarHBondContact O-N 2.81Å; Y97-L100 PolarHBondContact O-N 2.93Å; E98-L100 VanDerWaalsContact C-N 3.3Å; E98-L100 PolarHBondContact O-N 2.97Å; L100-F103 PolarHBondContact O-N 3Å; L100-R104 VanDerWaalsContact CD2-NH2 3.32Å; L100-R104 WeakPolarHBondContact O-CG 3.45Å; L100-R104 PolarHBondContact O-N 3.44Å |
| 101 | A | 96.6 | Very high | 94.3 | Very high | 33 Ų | 33 | 109 Ų | 109 | 27% | 0.273 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y97 E98 T99 R104 R105 | Y97-A101 WeakPolarHBondContact O-CB 3.34Å; Y97-A101 PolarHBondContact O-N 3.1Å; E98-A101 WeakPolarHBondContact O-CB 3.12Å; E98-A101 PolarHBondContact O-N 3.01Å; T99-A101 PolarHBondContact O-N 3.37Å; A101-R104 PolarHBondContact O-N 3.47Å; A101-R105 WeakPolarHBondContact O-CG 3.42Å; A101-R105 PolarHBondContact O-N 3.02Å |
| 102 | E | 96.1 | Very high | 93.2 | Very high | 124 Ų | 124 | 106.7 Ų | 106.7 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -45.1 | 174 | -70.3 | -172.8 | 167.9 | 0 | 0 | 112.3 | E98 T99 R104 R105 R106 | E98-E102 PolarHBondContact O-N 2.92Å; T99-E102 PolarHBondContact O-N 3.5Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.43Å; E102-R105 PolarHBondContact O-N 2.95Å; E102-R106 PolarHBondContact O-N 3.32Å |
| 103 | F | 94.6 | Very high | 91.6 | Very high | 108 Ų | 108 | 103.5 Ų | 103.5 | 47% | 0.474 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -38.3 | 175.4 | -76.6 | -53.6 | 0 | 0 | 0 | 112.5 | T99 L100 R106 R107 | T99-F103 HydrophobicContact CG2-CD2 3.8Å; T99-F103 HydrophobicContact CG2-CE2 3.37Å; T99-F103 HydrophobicContact CG2-CZ 4.27Å; T99-F103 WeakPolarHBondContact O-CD2 3.4Å; T99-F103 PolarHBondContact O-N 3.05Å; L100-F103 PolarHBondContact O-N 3Å; F103-R106 VanDerWaalsContact CE1-NH2 3.32Å; F103-R106 PolarHBondContact O-N 2.99Å; F103-R107 WeakPolarHBondContact O-CB 3.47Å; F103-R107 PolarHBondContact O-N 2.92Å |
| 104 | R | 94.3 | Very high | 89.8 | Confident | 135 Ų | 135 | 104 Ų | 104 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 174.9 | -76.1 | 174.8 | -176.4 | 159.7 | -1.4 | 111.6 | L100 A101 E102 R106 R107 E108 | L100-R104 VanDerWaalsContact CD2-NH2 3.32Å; L100-R104 WeakPolarHBondContact O-CG 3.45Å; L100-R104 PolarHBondContact O-N 3.44Å; A101-R104 PolarHBondContact O-N 3.47Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.43Å; R104-R106 PolarHBondContact O-N 3.13Å; R104-R107 PolarHBondContact O-N 2.94Å; R104-E108 WeakPolarHBondContact O-CG 3.5Å; R104-E108 PolarHBondContact O-N 3.27Å |
| 105 | R | 94.6 | Very high | 87.8 | Confident | 163 Ų | 163 | 104.7 Ų | 104.7 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.2 | -46.1 | 176 | -70.6 | -176.7 | -154.3 | 149.1 | 6.3 | 111.8 | A101 E102 R107 E108 S109 | A101-R105 WeakPolarHBondContact O-CG 3.42Å; A101-R105 PolarHBondContact O-N 3.02Å; E102-R105 PolarHBondContact O-N 2.95Å; R105-R107 VanDerWaalsContact C-N 3.3Å; R105-R107 PolarHBondContact O-N 3.23Å; R105-E108 WeakPolarHBondContact O-CB 3.42Å; R105-E108 PolarHBondContact O-N 3.38Å; R105-S109 PolarHBondContact O-N 3.36Å; R105-S109 PolarHBondContact O-OG 2.95Å; R105-S109 VanDerWaalsContact O-OG 3.13Å |
| 106 | R | 93.6 | Very high | 85.9 | Confident | 169 Ų | 169 | 103.7 Ų | 103.7 | 64% | 0.638 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.5 | -37.6 | -179.8 | -168.8 | 173.9 | 68.1 | 174.9 | 4.6 | 112.1 | E102 F103 R104 A110 | E102-R106 PolarHBondContact O-N 3.32Å; F103-R106 VanDerWaalsContact CE1-NH2 3.32Å; F103-R106 PolarHBondContact O-N 2.99Å; R104-R106 PolarHBondContact O-N 3.13Å; R106-A110 WeakPolarHBondContact O-CB 3.36Å; R106-A110 PolarHBondContact O-N 3.21Å |
| 107 | R | 92.8 | Very high | 83.9 | Confident | 162 Ų | 162 | 104.3 Ų | 104.3 | 61% | 0.611 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -44.6 | 174.2 | -174.7 | -178.7 | 62.6 | 149.9 | 3 | 111.2 | F103 R104 R105 S109 A110 T111 | F103-R107 WeakPolarHBondContact O-CB 3.47Å; F103-R107 PolarHBondContact O-N 2.92Å; R104-R107 PolarHBondContact O-N 2.94Å; R105-R107 VanDerWaalsContact C-N 3.3Å; R105-R107 PolarHBondContact O-N 3.23Å; R107-S109 VanDerWaalsContact C-N 3.35Å; R107-S109 PolarHBondContact O-N 3.41Å; R107-A110 PolarHBondContact O-N 2.97Å; R107-T111 PolarHBondContact O-N 3.48Å; R107-T111 PolarHBondContact O-OG1 3.11Å |
| 108 | E | 90.8 | Very high | 81.7 | Confident | 113 Ų | 113 | 106.8 Ų | 106.8 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 175.6 | -72.6 | 161.7 | -165.3 | 0 | 0 | 111.2 | R104 R105 A110 T111 V112 | R104-E108 WeakPolarHBondContact O-CG 3.5Å; R104-E108 PolarHBondContact O-N 3.27Å; R105-E108 WeakPolarHBondContact O-CB 3.42Å; R105-E108 PolarHBondContact O-N 3.38Å; E108-A110 VanDerWaalsContact C-N 3.35Å; E108-A110 PolarHBondContact O-N 3.38Å; E108-T111 PolarHBondContact O-N 3.18Å; E108-V112 WeakPolarHBondContact O-CG2 3.35Å; E108-V112 PolarHBondContact O-N 3.11Å; E108-V112 VanDerWaalsContact O-N 3.11Å |
| 109 | S | 90.1 | Very high | 79.6 | Confident | 75 Ų | 75 | 108 Ų | 108 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 175.1 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | R105 R107 V112 V113 | R105-S109 PolarHBondContact O-N 3.36Å; R105-S109 PolarHBondContact O-OG 2.95Å; R105-S109 VanDerWaalsContact O-OG 3.13Å; R107-S109 VanDerWaalsContact C-N 3.35Å; R107-S109 PolarHBondContact O-N 3.41Å; S109-V112 PolarHBondContact O-N 3.33Å; S109-V113 WeakPolarHBondContact O-CG2 3.35Å; S109-V113 PolarHBondContact O-N 3.45Å |
| 110 | A | 84.7 | Confident | 77.5 | Confident | 52 Ų | 52 | 116.8 Ų | 116.8 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.9 | -35.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R106 R107 E108 V113 S114 | R106-A110 WeakPolarHBondContact O-CB 3.36Å; R106-A110 PolarHBondContact O-N 3.21Å; R107-A110 PolarHBondContact O-N 2.97Å; E108-A110 VanDerWaalsContact C-N 3.35Å; E108-A110 PolarHBondContact O-N 3.38Å; A110-V113 PolarHBondContact O-N 3.48Å; A110-S114 PolarHBondContact O-N 3.1Å; A110-S114 VanDerWaalsContact O-N 3.11Å; A110-S114 PolarHBondContact O-OG 2.89Å |
| 111 | T | 78.9 | Confident | 75.3 | Confident | 81 Ų | 81 | 116.8 Ų | 116.8 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.6 | -43 | 174.3 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | R107 E108 V113 S114 D115 | R107-T111 PolarHBondContact O-N 3.48Å; R107-T111 PolarHBondContact O-OG1 3.11Å; E108-T111 PolarHBondContact O-N 3.18Å; T111-V113 PolarHBondContact O-N 3.19Å; T111-S114 PolarHBondContact O-N 2.88Å; T111-S114 VanDerWaalsContact O-N 3.16Å; T111-D115 PolarHBondContact O-N 3.16Å; T111-D115 VanDerWaalsContact O-N 3.1Å |
| 112 | V | 73.5 | Confident | 73.2 | Confident | 85 Ų | 85 | 120.4 Ų | 120.4 | 52% | 0.515 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.4 | -44.4 | 177 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | E108 S109 S114 D115 E116 | E108-V112 WeakPolarHBondContact O-CG2 3.35Å; E108-V112 PolarHBondContact O-N 3.11Å; E108-V112 VanDerWaalsContact O-N 3.11Å; S109-V112 PolarHBondContact O-N 3.33Å; V112-S114 VanDerWaalsContact C-N 3.26Å; V112-S114 PolarHBondContact O-N 3.39Å; V112-D115 PolarHBondContact O-N 3.12Å; V112-E116 PolarHBondContact O-N 3.08Å |
| 113 | V | 62.5 | Low | 71.1 | Confident | 82 Ų | 82 | 123.8 Ų | 123.8 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.7 | -32.8 | 177.5 | 173.9 | 0 | 0 | 0 | 0 | 112.2 | S109 A110 T111 T117 | S109-V113 WeakPolarHBondContact O-CG2 3.35Å; S109-V113 PolarHBondContact O-N 3.45Å; A110-V113 PolarHBondContact O-N 3.48Å; T111-V113 PolarHBondContact O-N 3.19Å; V113-T117 PolarHBondContact O-N 2.74Å; V113-T117 VanDerWaalsContact O-N 3.12Å; V113-T117 PolarHBondContact O-OG1 3.48Å |
| 114 | S | 59.9 | Low | 69.1 | Low | 76 Ų | 76 | 125.6 Ų | 125.6 | 53% | 0.531 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -72.4 | -32.5 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | A110 T111 V112 T117 | A110-S114 PolarHBondContact O-N 3.1Å; A110-S114 VanDerWaalsContact O-N 3.11Å; A110-S114 PolarHBondContact O-OG 2.89Å; T111-S114 PolarHBondContact O-N 2.88Å; T111-S114 VanDerWaalsContact O-N 3.16Å; V112-S114 VanDerWaalsContact C-N 3.26Å; V112-S114 PolarHBondContact O-N 3.39Å; S114-T117 PolarHBondContact O-OG1 3.48Å |
| 115 | D | 57.5 | Low | 66.8 | Low | 110 Ų | 110 | 127 Ų | 127 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75 | -40.3 | 173.4 | -100.2 | -12.2 | 0 | 0 | 0 | 111.8 | T111 V112 T117 R118 D119 | T111-D115 PolarHBondContact O-N 3.16Å; T111-D115 VanDerWaalsContact O-N 3.1Å; V112-D115 PolarHBondContact O-N 3.12Å; D115-T117 VanDerWaalsContact C-N 3.32Å; D115-T117 PolarHBondContact O-N 3.25Å; D115-R118 PolarHBondContact O-N 3.01Å; D115-R118 VanDerWaalsContact O-N 3.08Å; D115-D119 PolarHBondContact O-N 3.16Å; D115-D119 VanDerWaalsContact O-N 3.16Å |
| 116 | E | 56.8 | Low | 64.6 | Low | 131 Ų | 131 | 125 Ų | 125 | 61% | 0.612 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.7 | -35.7 | 177 | -77.1 | -178 | 141.2 | 0 | 0 | 112.8 | V112 R118 | V112-E116 PolarHBondContact O-N 3.08Å; E116-R118 VanDerWaalsContact C-N 3.26Å; E116-R118 PolarHBondContact O-N 3.22Å |
| 117 | T | 56.1 | Low | 62.7 | Low | 104 Ų | 104 | 121 Ų | 121 | 64% | 0.638 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.9 | -21.2 | 175.7 | 36 | 0 | 0 | 0 | 0 | 113 | V113 S114 D115 | V113-T117 PolarHBondContact O-N 2.74Å; V113-T117 VanDerWaalsContact O-N 3.12Å; V113-T117 PolarHBondContact O-OG1 3.48Å; S114-T117 PolarHBondContact O-OG1 3.48Å; D115-T117 VanDerWaalsContact C-N 3.32Å; D115-T117 PolarHBondContact O-N 3.25Å |
| 118 | R | 51.5 | Low | 60.6 | Low | 207 Ų | 207 | 122.7 Ų | 122.7 | 78% | 0.781 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -84.4 | -32.8 | 178.8 | -147.7 | 175.7 | -178.9 | -172.3 | -0.7 | 112.6 | D115 E116 R120 | D115-R118 PolarHBondContact O-N 3.01Å; D115-R118 VanDerWaalsContact O-N 3.08Å; E116-R118 VanDerWaalsContact C-N 3.26Å; E116-R118 PolarHBondContact O-N 3.22Å; R118-R120 VanDerWaalsContact C-N 3.28Å; R118-R120 PolarHBondContact O-N 3.39Å |
| 119 | D | 53.2 | Low | 58.5 | Low | 150 Ų | 150 | 125.5 Ų | 125.5 | 80% | 0.802 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.8 | -20.5 | 177 | -165.3 | 41.3 | 0 | 0 | 0 | 112.9 | D115 A121 | D115-D119 PolarHBondContact O-N 3.16Å; D115-D119 VanDerWaalsContact O-N 3.16Å; D119-A121 VanDerWaalsContact C-N 3.31Å; D119-A121 PolarHBondContact O-N 3.44Å |
| 120 | R | 52 | Low | 56.6 | Low | 219 Ų | 219 | 131.1 Ų | 131.1 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 4.9 | 180 | -121.9 | -178.4 | -166.9 | -171 | 4.9 | 115.4 | R118 P122 | R118-R120 VanDerWaalsContact C-N 3.28Å; R118-R120 PolarHBondContact O-N 3.39Å; R120-P122 VanDerWaalsContact O-CD 3.25Å; R120-P122 WeakPolarHBondContact O-CD 3.25Å; R120-P122 VanDerWaalsContact O-N 3.12Å |
| 121 | A | 50.8 | Low | 55.2 | Low | 74 Ų | 74 | 135.1 Ų | 135.1 | 61% | 0.612 | 73% | 0.73 | S | S | * | * | trans | -63.6 | 113.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | D119 K123 | D119-A121 VanDerWaalsContact C-N 3.31Å; D119-A121 PolarHBondContact O-N 3.44Å; A121-K123 PolarHBondContact O-N 3.34Å | ||
| 122 | P | 53.1 | Low | 53.9 | Low | 109 Ų | 109 | 137.9 Ų | 137.9 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | trans | -67.2 | 129 | -171.4 | 25.5 | -31.5 | 0 | 0 | 0 | 109.8 | R120 I124 | R120-P122 VanDerWaalsContact O-CD 3.25Å; R120-P122 WeakPolarHBondContact O-CD 3.25Å; R120-P122 VanDerWaalsContact O-N 3.12Å; P122-I124 VanDerWaalsContact C-N 3.33Å; P122-I124 PolarHBondContact O-N 2.89Å | ||
| 123 | K | 52 | Low | 52.8 | Low | 195 Ų | 195 | 140.9 Ų | 140.9 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -57.5 | 103.3 | 161.8 | -74.7 | 178 | 178.3 | 176.7 | 0 | 106.5 | A121 E125 | A121-K123 PolarHBondContact O-N 3.34Å; K123-E125 PolarHBondContact O-N 2.85Å | ||
| 124 | I | 51.9 | Low | 52.3 | Low | 146 Ų | 146 | 144.4 Ų | 144.4 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -67 | 90.9 | 168.3 | -57.3 | 174.9 | 0 | 0 | 0 | 104.5 | P122 S126 | P122-I124 VanDerWaalsContact C-N 3.33Å; P122-I124 PolarHBondContact O-N 2.89Å; I124-S126 VanDerWaalsContact C-N 3.33Å; I124-S126 PolarHBondContact O-N 3.48Å; I124-S126 PolarHBondContact O-OG 3.02Å | ||
| 125 | E | 47.4 | Very low | 51.8 | Low | 163 Ų | 163 | 148.6 Ų | 148.6 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -66.3 | 101.6 | 166.9 | -84.2 | -179.6 | 158.1 | 0 | 0 | 106.7 | K123 S127 | K123-E125 PolarHBondContact O-N 2.85Å; E125-S127 PolarHBondContact O-N 2.83Å | ||
| 126 | S | 47.9 | Very low | 51.4 | Low | 123 Ų | 123 | 151.2 Ų | 151.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -63.9 | 72.4 | 169.9 | -38 | 0 | 0 | 0 | 0 | 109.5 | I124 | I124-S126 VanDerWaalsContact C-N 3.33Å; I124-S126 PolarHBondContact O-N 3.48Å; I124-S126 PolarHBondContact O-OG 3.02Å | ||
| 127 | S | 53.3 | Low | 51 | Low | 85 Ų | 85 | 152.6 Ų | 152.6 | 59% | 0.594 | 81% | 0.811 | S | S | * | * | trans | -138.5 | 87.6 | 169.3 | 57.3 | 0 | 0 | 0 | 0 | 107.5 | E125 | E125-S127 PolarHBondContact O-N 2.83Š| ||
| 128 | E | 48.2 | Very low | 50.7 | Low | 196 Ų | 196 | 156.4 Ų | 156.4 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | 167.5 | 74.2 | 149.4 | -91.3 | 170.3 | -156 | 0 | 0 | 108.2 | ||||
| 129 | L | 47.3 | Very low | 50.6 | Low | 173 Ų | 173 | 152.2 Ų | 152.2 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | trans | -119.9 | 98.8 | 160.1 | -96.3 | 156.8 | 0 | 0 | 0 | 107.2 | ||||
| 130 | S | 50 | Low | 50.3 | Low | 193 Ų | 193 | 152.4 Ų | 152.4 | 100% | 1.35 | 83% | 0.83 | S | S | * | * | trans | 70.9 | 0 | 161.6 | -69.2 | 0 | 0 | 0 | 0 | 119.5 |
Retrieved 130 of 130 residues in 188.3 ms
(Link to these results)