| 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 | 71.8 | Confident | 91.5 | Very high | 217 Ų | 217 | 115.2 Ų | 115.2 | 100% | 1.069 | 58% | 0.581 | S | S | * | * | 0 | 143.2 | 0 | -169.6 | 63.4 | 108.6 | 0 | 0 | 108.4 | N3 | M1-N3 PolarHBondContact O-N 3.06Å; M1-N3 PolarHBondContact O-OD1 3.19Å | |||
| 2 | A | 83 | Confident | 91.7 | Very high | 28 Ų | 28 | 116.4 Ų | 116.4 | 23% | 0.231 | 58% | 0.58 | C | S | . | * | trans | -70.2 | 121.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A7 I8 | A2-A7 HydrophobicContact CB-CB 3.73Å; A2-I8 HydrophobicContact CB-CG1 3.94Å; A2-I8 WeakPolarHBondContact O-CD1 3.28Å; A2-I8 WeakPolarHBondContact O-CG1 3.32Å | ||
| 3 | N | 90.8 | Very high | 92.1 | Very high | 150 Ų | 150 | 112.1 Ų | 112.1 | 80% | 0.802 | 56% | 0.563 | S | S | * | * | trans | -86.7 | -31.4 | -175.6 | -62.5 | -28 | 0 | 0 | 0 | 112.6 | M1 | M1-N3 PolarHBondContact O-N 3.06Å; M1-N3 PolarHBondContact O-OD1 3.19Å | ||
| 4 | I | 94.6 | Very high | 92.4 | Very high | 116 Ų | 116 | 109.3 Ų | 109.3 | 60% | 0.595 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -82.9 | 134.1 | -178.1 | -52.7 | 177.6 | 0 | 0 | 0 | 109.5 | S6 A7 I8 | I4-S6 VanDerWaalsContact CG2-OG 3.24Å; I4-S6 WeakPolarHBondContact CG2-OG 3.3Å; I4-S6 PolarHBondContact O-N 3.02Å; I4-S6 VanDerWaalsContact O-N 3.15Å; I4-A7 HydrophobicContact CB-CB 4.24Å; I4-A7 WeakPolarHBondContact O-CA 3.36Å; I4-A7 WeakPolarHBondContact O-CB 3.3Å; I4-A7 PolarHBondContact O-N 3.33Å; I4-I8 PolarHBondContact O-N 3.38Å |
| 5 | K | 94.1 | Very high | 92.6 | Very high | 187 Ų | 187 | 109.5 Ų | 109.5 | 81% | 0.813 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -51.4 | -40.4 | 179.4 | -67.8 | -177.3 | 179.9 | 177.9 | 0 | 112.9 | I8 K9 | K5-I8 PolarHBondContact O-N 3.24Å; K5-K9 PolarHBondContact O-N 2.98Å; K5-K9 VanDerWaalsContact O-N 3.13Å |
| 6 | S | 96.1 | Very high | 92.8 | Very high | 74 Ų | 74 | 112.3 Ų | 112.3 | 52% | 0.517 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.1 | -40.8 | 176.6 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | I4 K9 R10 | I4-S6 VanDerWaalsContact CG2-OG 3.24Å; I4-S6 WeakPolarHBondContact CG2-OG 3.3Å; I4-S6 PolarHBondContact O-N 3.02Å; I4-S6 VanDerWaalsContact O-N 3.15Å; S6-K9 WeakPolarHBondContact O-CB 3.5Å; S6-K9 PolarHBondContact O-N 3.09Å; S6-R10 WeakPolarHBondContact O-CG 3.28Å; S6-R10 PolarHBondContact O-N 3.09Å |
| 7 | A | 95.2 | Very high | 93 | Very high | 34 Ų | 34 | 107.4 Ų | 107.4 | 28% | 0.281 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | A2 I4 K9 R10 V11 | A2-A7 HydrophobicContact CB-CB 3.73Å; I4-A7 HydrophobicContact CB-CB 4.24Å; I4-A7 WeakPolarHBondContact O-CA 3.36Å; I4-A7 WeakPolarHBondContact O-CB 3.3Å; I4-A7 PolarHBondContact O-N 3.33Å; A7-K9 VanDerWaalsContact C-N 3.28Å; A7-K9 PolarHBondContact O-N 3.24Å; A7-R10 PolarHBondContact O-N 3.4Å; A7-R10 VanDerWaalsContact O-N 3.1Å; A7-V11 WeakPolarHBondContact O-CG2 3.45Å; A7-V11 PolarHBondContact O-N 3.29Å |
| 8 | I | 94.6 | Very high | 93.2 | Very high | 71 Ų | 71 | 107.5 Ų | 107.5 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58 | -42.5 | 173.1 | -61.2 | 171.1 | 0 | 0 | 0 | 110.7 | A2 I4 K5 V11 K12 | A2-I8 HydrophobicContact CB-CG1 3.94Å; A2-I8 WeakPolarHBondContact O-CD1 3.28Å; A2-I8 WeakPolarHBondContact O-CG1 3.32Å; I4-I8 PolarHBondContact O-N 3.38Å; K5-I8 PolarHBondContact O-N 3.24Å; I8-V11 PolarHBondContact O-N 2.78Å; I8-K12 PolarHBondContact O-N 3.16Å |
| 9 | K | 95.7 | Very high | 93.4 | Very high | 147 Ų | 147 | 105.1 Ų | 105.1 | 64% | 0.639 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.3 | -43.7 | 175.2 | -178.4 | 179.9 | 179.4 | 179.2 | 0 | 111.6 | K5 S6 A7 V11 K12 T13 | K5-K9 PolarHBondContact O-N 2.98Å; K5-K9 VanDerWaalsContact O-N 3.13Å; S6-K9 WeakPolarHBondContact O-CB 3.5Å; S6-K9 PolarHBondContact O-N 3.09Å; A7-K9 VanDerWaalsContact C-N 3.28Å; A7-K9 PolarHBondContact O-N 3.24Å; K9-V11 PolarHBondContact O-N 3.37Å; K9-K12 PolarHBondContact O-N 2.91Å; K9-T13 HydrophobicContact CG-CG2 4.47Å; K9-T13 WeakPolarHBondContact O-CG2 3.42Å; K9-T13 PolarHBondContact O-N 3.44Å; K9-T13 PolarHBondContact O-OG1 3.03Å |
| 10 | R | 96.3 | Very high | 93.5 | Very high | 172 Ų | 172 | 108.1 Ų | 108.1 | 65% | 0.649 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.5 | -43.2 | 179.8 | -69.3 | -57.6 | -65.9 | -171.2 | -4.8 | 112.1 | S6 A7 K12 T13 T14 | S6-R10 WeakPolarHBondContact O-CG 3.28Å; S6-R10 PolarHBondContact O-N 3.09Å; A7-R10 PolarHBondContact O-N 3.4Å; A7-R10 VanDerWaalsContact O-N 3.1Å; R10-K12 PolarHBondContact O-N 2.99Å; R10-T13 WeakPolarHBondContact CA-OG1 3.04Å; R10-T13 PolarHBondContact O-N 3.39Å; R10-T13 PolarHBondContact O-OG1 3.49Å; R10-T14 WeakPolarHBondContact O-CB 3.38Å; R10-T14 PolarHBondContact O-N 3.19Å; R10-T14 PolarHBondContact O-OG1 3.39Å; R10-T14 VanDerWaalsContact O-OG1 3.07Å |
| 11 | V | 94.8 | Very high | 93.6 | Very high | 71 Ų | 71 | 105.7 Ų | 105.7 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -54.6 | -54.7 | 175.5 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | A7 I8 K9 T13 T14 E15 | A7-V11 WeakPolarHBondContact O-CG2 3.45Å; A7-V11 PolarHBondContact O-N 3.29Å; I8-V11 PolarHBondContact O-N 2.78Å; K9-V11 PolarHBondContact O-N 3.37Å; V11-T13 VanDerWaalsContact C-N 3.29Å; V11-T13 PolarHBondContact O-N 2.93Å; V11-T14 PolarHBondContact O-N 2.93Å; V11-T14 VanDerWaalsContact O-N 3.13Å; V11-E15 WeakPolarHBondContact CG1-OE1 3.22Å; V11-E15 WeakPolarHBondContact O-CG 3.45Å; V11-E15 PolarHBondContact O-N 2.91Å |
| 12 | K | 94 | Very high | 94.8 | Very high | 130 Ų | 130 | 100 Ų | 100 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.7 | -36.9 | 179 | -65.4 | -179.4 | 179 | -175.4 | 0 | 113.3 | I8 K9 R10 K16 | I8-K12 PolarHBondContact O-N 3.16Å; K9-K12 PolarHBondContact O-N 2.91Å; R10-K12 PolarHBondContact O-N 2.99Å; K12-K16 WeakPolarHBondContact O-CG 3.45Å |
| 13 | T | 96.6 | Very high | 95.4 | Very high | 60 Ų | 60 | 102.1 Ų | 102.1 | 37% | 0.368 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.7 | -37.5 | 178.2 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | K9 R10 V11 A17 | K9-T13 HydrophobicContact CG-CG2 4.47Å; K9-T13 WeakPolarHBondContact O-CG2 3.42Å; K9-T13 PolarHBondContact O-N 3.44Å; K9-T13 PolarHBondContact O-OG1 3.03Å; R10-T13 WeakPolarHBondContact CA-OG1 3.04Å; R10-T13 PolarHBondContact O-N 3.39Å; R10-T13 PolarHBondContact O-OG1 3.49Å; V11-T13 VanDerWaalsContact C-N 3.29Å; V11-T13 PolarHBondContact O-N 2.93Å; T13-A17 WeakPolarHBondContact O-CB 3.5Å; T13-A17 PolarHBondContact O-N 2.97Å; T13-A17 VanDerWaalsContact O-N 3.08Å |
| 14 | T | 96 | Very high | 95.5 | Very high | 73 Ų | 73 | 99.6 Ų | 99.6 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 179.2 | -65.9 | 0 | 0 | 0 | 0 | 110.6 | R10 V11 K16 A17 E18 | R10-T14 WeakPolarHBondContact O-CB 3.38Å; R10-T14 PolarHBondContact O-N 3.19Å; R10-T14 PolarHBondContact O-OG1 3.39Å; R10-T14 VanDerWaalsContact O-OG1 3.07Å; V11-T14 PolarHBondContact O-N 2.93Å; V11-T14 VanDerWaalsContact O-N 3.13Å; T14-K16 VanDerWaalsContact C-N 3.31Å; T14-K16 PolarHBondContact O-N 2.92Å; T14-A17 CarbonylContact O-C 3.56Å; T14-A17 PolarHBondContact O-N 3.33Å; T14-E18 WeakPolarHBondContact O-CB 3.44Å; T14-E18 PolarHBondContact O-N 3.46Å |
| 15 | E | 95.8 | Very high | 95.6 | Very high | 113 Ų | 113 | 97.3 Ų | 97.3 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -55.5 | -45.6 | 177.5 | -71 | 167.9 | 176.2 | 0 | 0 | 111.9 | V11 A17 E18 A19 | V11-E15 WeakPolarHBondContact CG1-OE1 3.22Å; V11-E15 WeakPolarHBondContact O-CG 3.45Å; V11-E15 PolarHBondContact O-N 2.91Å; E15-A17 PolarHBondContact O-N 3.31Å; E15-E18 PolarHBondContact O-N 3.34Å; E15-A19 PolarHBondContact O-N 3.45Å |
| 16 | K | 96.2 | Very high | 95.7 | Very high | 154 Ų | 154 | 90.9 Ų | 90.9 | 67% | 0.67 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.4 | -39.9 | 176.4 | -69.7 | -178.6 | -179.3 | -171 | 0 | 112.6 | K12 T14 R20 | K12-K16 WeakPolarHBondContact O-CG 3.45Å; T14-K16 VanDerWaalsContact C-N 3.31Å; T14-K16 PolarHBondContact O-N 2.92Å; K16-R20 WeakPolarHBondContact O-CG 3.47Å; K16-R20 PolarHBondContact O-N 3.21Å; K16-R20 PolarHBondContact O-NE 2.92Å |
| 17 | A | 96 | Very high | 95.7 | Very high | 29 Ų | 29 | 89.4 Ų | 89.4 | 24% | 0.24 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T13 T14 E15 R20 N21 | T13-A17 WeakPolarHBondContact O-CB 3.5Å; T13-A17 PolarHBondContact O-N 2.97Å; T13-A17 VanDerWaalsContact O-N 3.08Å; T14-A17 CarbonylContact O-C 3.56Å; T14-A17 PolarHBondContact O-N 3.33Å; E15-A17 PolarHBondContact O-N 3.31Å; A17-R20 PolarHBondContact O-N 3.2Å; A17-N21 WeakPolarHBondContact O-CB 3.42Å; A17-N21 PolarHBondContact O-N 3.45Å; A17-N21 PolarHBondContact O-ND2 2.86Å; A17-N21 PolarHBondContact O-OD1 3.33Å |
| 18 | E | 96.5 | Very high | 95.7 | Very high | 109 Ų | 109 | 88.3 Ų | 88.3 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 178.2 | -179.7 | 168.9 | -166.3 | 0 | 0 | 111.6 | T14 E15 R20 N21 I22 | T14-E18 WeakPolarHBondContact O-CB 3.44Å; T14-E18 PolarHBondContact O-N 3.46Å; E15-E18 PolarHBondContact O-N 3.34Å; E18-R20 VanDerWaalsContact C-N 3.31Å; E18-R20 PolarHBondContact O-N 3.05Å; E18-N21 PolarHBondContact O-N 3.38Å; E18-N21 VanDerWaalsContact O-N 3.13Å; E18-I22 HydrophobicContact CG-CD1 3.65Å; E18-I22 HydrophobicContact CG-CG1 4.24Å; E18-I22 WeakPolarHBondContact O-CB 3.42Å; E18-I22 VanDerWaalsContact O-CG1 3.26Å; E18-I22 WeakPolarHBondContact O-CG1 3.28Å; E18-I22 PolarHBondContact O-N 3.47Å |
| 19 | A | 96.3 | Very high | 95.7 | Very high | 61 Ų | 61 | 92.6 Ų | 92.6 | 50% | 0.504 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.1 | -44 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E15 S23 | E15-A19 PolarHBondContact O-N 3.45Å; A19-S23 PolarHBondContact O-N 3.28Å; A19-S23 VanDerWaalsContact O-N 3.17Å |
| 20 | R | 95.3 | Very high | 95.8 | Very high | 165 Ų | 165 | 89.2 Ų | 89.2 | 62% | 0.623 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65 | -45.1 | 176.1 | -68 | -175.9 | -58.2 | 175.3 | 6.7 | 111.9 | K16 A17 E18 I22 S23 Q24 | K16-R20 WeakPolarHBondContact O-CG 3.47Å; K16-R20 PolarHBondContact O-N 3.21Å; K16-R20 PolarHBondContact O-NE 2.92Å; A17-R20 PolarHBondContact O-N 3.2Å; E18-R20 VanDerWaalsContact C-N 3.31Å; E18-R20 PolarHBondContact O-N 3.05Å; R20-I22 VanDerWaalsContact C-N 3.33Å; R20-I22 PolarHBondContact O-N 3.42Å; R20-S23 PolarHBondContact O-N 3.12Å; R20-Q24 WeakPolarHBondContact O-CG 3.4Å; R20-Q24 PolarHBondContact O-N 3.41Å |
| 21 | N | 96.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 81.4 Ų | 81.4 | 31% | 0.31 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | -179.7 | -69.9 | -9.2 | 0 | 0 | 0 | 111.8 | A17 E18 K25 L65 | A17-N21 WeakPolarHBondContact O-CB 3.42Å; A17-N21 PolarHBondContact O-N 3.45Å; A17-N21 PolarHBondContact O-ND2 2.86Å; A17-N21 PolarHBondContact O-OD1 3.33Å; E18-N21 PolarHBondContact O-N 3.38Å; E18-N21 VanDerWaalsContact O-N 3.13Å; N21-K25 VanDerWaalsContact O-CB 3.29Å; N21-K25 WeakPolarHBondContact O-CB 3.36Å; N21-K25 VanDerWaalsContact O-CG 3.24Å; N21-K25 WeakPolarHBondContact O-CG 3.37Å; N21-K25 PolarHBondContact O-N 2.92Å; N21-L65 HydrophobicContact CB-CD2 3.96Å; N21-L65 WeakPolarHBondContact OD1-CD2 3.42Å |
| 22 | I | 96.1 | Very high | 95.7 | Very high | 97 Ų | 97 | 78.9 Ų | 78.9 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 175.6 | -71.7 | 169.4 | 0 | 0 | 0 | 110 | E18 R20 Q24 K25 S26 | E18-I22 HydrophobicContact CG-CD1 3.65Å; E18-I22 HydrophobicContact CG-CG1 4.24Å; E18-I22 WeakPolarHBondContact O-CB 3.42Å; E18-I22 VanDerWaalsContact O-CG1 3.26Å; E18-I22 WeakPolarHBondContact O-CG1 3.28Å; E18-I22 PolarHBondContact O-N 3.47Å; R20-I22 VanDerWaalsContact C-N 3.33Å; R20-I22 PolarHBondContact O-N 3.42Å; I22-Q24 PolarHBondContact O-N 3.44Å; I22-K25 PolarHBondContact O-N 3.26Å; I22-S26 WeakPolarHBondContact O-CB 3.33Å; I22-S26 PolarHBondContact O-N 3.4Å; I22-S26 PolarHBondContact O-OG 3.44Å |
| 23 | S | 95.2 | Very high | 95.7 | Very high | 74 Ų | 74 | 79.5 Ų | 79.5 | 52% | 0.517 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 112.5 | A19 R20 S26 A27 | A19-S23 PolarHBondContact O-N 3.28Å; A19-S23 VanDerWaalsContact O-N 3.17Å; R20-S23 PolarHBondContact O-N 3.12Å; S23-S26 PolarHBondContact O-N 2.9Å; S23-S26 PolarHBondContact O-OG 3.42Å; S23-A27 WeakPolarHBondContact O-CB 3.41Å; S23-A27 PolarHBondContact O-N 2.99Å |
| 24 | Q | 94.6 | Very high | 95.5 | Very high | 96 Ų | 96 | 80.1 Ų | 80.1 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 177.8 | -68.8 | 171.7 | -13.2 | 0 | 0 | 112.1 | R20 I22 M28 L65 | R20-Q24 WeakPolarHBondContact O-CG 3.4Å; R20-Q24 PolarHBondContact O-N 3.41Å; I22-Q24 PolarHBondContact O-N 3.44Å; Q24-M28 PolarHBondContact O-N 3.43Å; Q24-M28 VanDerWaalsContact O-N 3.14Å; Q24-L65 HydrophobicContact CB-CD1 3.54Å; Q24-L65 HydrophobicContact CG-CD1 4.43Å; Q24-L65 VanDerWaalsContact OE1-CD1 3.25Å |
| 25 | K | 95.4 | Very high | 95.3 | Very high | 69 Ų | 69 | 76.6 Ų | 76.6 | 30% | 0.3 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 176.1 | -75.8 | 175.5 | -179.7 | 179.4 | 0 | 112 | N21 I22 R29 L65 | N21-K25 VanDerWaalsContact O-CB 3.29Å; N21-K25 WeakPolarHBondContact O-CB 3.36Å; N21-K25 VanDerWaalsContact O-CG 3.24Å; N21-K25 WeakPolarHBondContact O-CG 3.37Å; N21-K25 PolarHBondContact O-N 2.92Å; I22-K25 PolarHBondContact O-N 3.26Å; K25-R29 VanDerWaalsContact O-CG 3.25Å; K25-R29 WeakPolarHBondContact O-CG 3.45Å; K25-R29 PolarHBondContact O-N 3.37Å; K25-L65 WeakPolarHBondContact CE-O 3.31Å; K25-L65 HydrophobicContact CG-CB 4.28Å |
| 26 | S | 96.8 | Very high | 95.1 | Very high | 51 Ų | 51 | 76 Ų | 76 | 36% | 0.357 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 178.1 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | I22 S23 M28 R29 T30 | I22-S26 WeakPolarHBondContact O-CB 3.33Å; I22-S26 PolarHBondContact O-N 3.4Å; I22-S26 PolarHBondContact O-OG 3.44Å; S23-S26 PolarHBondContact O-N 2.9Å; S23-S26 PolarHBondContact O-OG 3.42Å; S26-M28 VanDerWaalsContact C-N 3.33Å; S26-M28 PolarHBondContact O-N 3.48Å; S26-R29 PolarHBondContact O-N 3.18Å; S26-R29 VanDerWaalsContact O-N 3.13Å; S26-T30 PolarHBondContact O-N 3.06Å; S26-T30 PolarHBondContact O-OG1 3.45Å; S26-T30 VanDerWaalsContact O-OG1 3.07Å |
| 27 | A | 95.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 71.5 Ų | 71.5 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.7 | -46.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S23 T30 A31 | S23-A27 WeakPolarHBondContact O-CB 3.41Å; S23-A27 PolarHBondContact O-N 2.99Å; A27-T30 PolarHBondContact O-N 2.88Å; A27-A31 PolarHBondContact O-N 3.42Å |
| 28 | M | 95.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 70.4 Ų | 70.4 | 5% | 0.049 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 174.8 | -179.7 | -160.7 | 69.1 | 0 | 0 | 112 | Q24 S26 T30 A31 V32 L56 V57 A60 I66 | Q24-M28 PolarHBondContact O-N 3.43Å; Q24-M28 VanDerWaalsContact O-N 3.14Å; S26-M28 VanDerWaalsContact C-N 3.33Å; S26-M28 PolarHBondContact O-N 3.48Å; M28-T30 VanDerWaalsContact C-N 3.34Å; M28-T30 PolarHBondContact O-N 3.13Å; M28-A31 PolarHBondContact O-N 3.01Å; M28-V32 WeakPolarHBondContact O-CG2 3.28Å; M28-V32 PolarHBondContact O-N 3.07Å; M28-L56 HydrophobicContact CB-CB 4.5Å; M28-V57 HydrophobicContact CG-CG2 3.88Å; M28-V57 HydrophobicContact SD-CG2 4.21Å; M28-A60 HydrophobicContact CG-CB 4.43Å; M28-A60 HydrophobicContact SD-CB 3.54Å; M28-A60 VanDerWaalsContact SD-CB 3.54Å; M28-I66 HydrophobicContact CE-CG2 4.07Å; M28-I66 HydrophobicContact SD-CD1 3.77Å; M28-I66 HydrophobicContact SD-CG2 4.29Å |
| 29 | R | 95.8 | Very high | 94.3 | Very high | 161 Ų | 161 | 66.2 Ų | 66.2 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.9 | -42.5 | 179.1 | -74.1 | 170 | -174.3 | 166.3 | 0.2 | 111.9 | K25 S26 V32 K33 | K25-R29 VanDerWaalsContact O-CG 3.25Å; K25-R29 WeakPolarHBondContact O-CG 3.45Å; K25-R29 PolarHBondContact O-N 3.37Å; S26-R29 PolarHBondContact O-N 3.18Å; S26-R29 VanDerWaalsContact O-N 3.13Å; R29-V32 PolarHBondContact O-N 3.45Å; R29-K33 WeakPolarHBondContact O-CB 3.32Å; R29-K33 PolarHBondContact O-N 2.92Å |
| 30 | T | 97 | Very high | 93.9 | Very high | 77 Ų | 77 | 67.7 Ų | 67.7 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 177.3 | -59.2 | 0 | 0 | 0 | 0 | 110.9 | S26 A27 M28 V32 K33 N34 | S26-T30 PolarHBondContact O-N 3.06Å; S26-T30 PolarHBondContact O-OG1 3.45Å; S26-T30 VanDerWaalsContact O-OG1 3.07Å; A27-T30 PolarHBondContact O-N 2.88Å; M28-T30 VanDerWaalsContact C-N 3.34Å; M28-T30 PolarHBondContact O-N 3.13Å; T30-V32 PolarHBondContact O-N 3.32Å; T30-K33 WeakPolarHBondContact O-CB 3.5Å; T30-K33 PolarHBondContact O-N 3.01Å; T30-N34 WeakPolarHBondContact O-CB 3.43Å; T30-N34 PolarHBondContact O-N 3.33Å; T30-N34 PolarHBondContact O-OD1 3.02Å |
| 31 | A | 94.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 7% | 0.066 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A27 M28 K33 N34 A35 A53 L56 | A27-A31 PolarHBondContact O-N 3.42Å; M28-A31 PolarHBondContact O-N 3.01Å; A31-K33 VanDerWaalsContact C-N 3.34Å; A31-K33 PolarHBondContact O-N 2.99Å; A31-N34 PolarHBondContact O-N 3.42Å; A31-A35 WeakPolarHBondContact O-CB 3.43Å; A31-A35 PolarHBondContact O-N 3.39Å; A31-A53 HydrophobicContact CB-CB 4.29Å; A31-L56 HydrophobicContact CB-CD1 3.44Å; A31-L56 VanDerWaalsContact CB-CD1 3.44Å |
| 32 | V | 94.6 | Very high | 93.1 | Very high | 17 Ų | 17 | 68.7 Ų | 68.7 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 175.2 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | M28 R29 T30 K36 A53 V57 I74 L78 | M28-V32 WeakPolarHBondContact O-CG2 3.28Å; M28-V32 PolarHBondContact O-N 3.07Å; R29-V32 PolarHBondContact O-N 3.45Å; T30-V32 PolarHBondContact O-N 3.32Å; V32-K36 HydrophobicContact CG1-CD 4.41Å; V32-K36 WeakPolarHBondContact O-CG 3.45Å; V32-K36 PolarHBondContact O-N 2.99Å; V32-A53 HydrophobicContact CG2-CB 4.42Å; V32-V57 HydrophobicContact CG2-CG2 3.78Å; V32-I74 HydrophobicContact CG1-CG2 4.13Å; V32-I74 HydrophobicContact CG2-CG2 3.79Å; V32-L78 HydrophobicContact CG1-CD2 4.5Å; V32-L78 HydrophobicContact CG2-CD1 4.49Å |
| 33 | K | 94.3 | Very high | 92.5 | Very high | 144 Ų | 144 | 65.6 Ų | 65.6 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.7 | -49.3 | 175.2 | -175.6 | -178.7 | 178.2 | -175 | 0 | 110.7 | R29 T30 A31 A35 K36 T37 | R29-K33 WeakPolarHBondContact O-CB 3.32Å; R29-K33 PolarHBondContact O-N 2.92Å; T30-K33 WeakPolarHBondContact O-CB 3.5Å; T30-K33 PolarHBondContact O-N 3.01Å; A31-K33 VanDerWaalsContact C-N 3.34Å; A31-K33 PolarHBondContact O-N 2.99Å; K33-A35 PolarHBondContact O-N 3.34Å; K33-K36 PolarHBondContact O-N 2.97Å; K33-T37 WeakPolarHBondContact O-CG2 3.4Å; K33-T37 PolarHBondContact O-N 3.16Å; K33-T37 PolarHBondContact O-OG1 3Å |
| 34 | N | 92.6 | Very high | 92 | Very high | 72 Ų | 72 | 70.1 Ų | 70.1 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | -179.5 | -68.6 | -2.7 | 0 | 0 | 0 | 112 | T30 A31 T37 A38 | T30-N34 WeakPolarHBondContact O-CB 3.43Å; T30-N34 PolarHBondContact O-N 3.33Å; T30-N34 PolarHBondContact O-OD1 3.02Å; A31-N34 PolarHBondContact O-N 3.42Å; N34-T37 VanDerWaalsContact CA-OG1 3.28Å; N34-T37 WeakPolarHBondContact CA-OG1 3.49Å; N34-T37 PolarHBondContact O-N 3.21Å; N34-T37 PolarHBondContact O-OG1 3.3Å; N34-A38 WeakPolarHBondContact O-CB 3.22Å; N34-A38 PolarHBondContact O-N 3.29Å |
| 35 | A | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A31 K33 T37 A38 V39 V50 A53 L78 | A31-A35 WeakPolarHBondContact O-CB 3.43Å; A31-A35 PolarHBondContact O-N 3.39Å; K33-A35 PolarHBondContact O-N 3.34Å; A35-T37 VanDerWaalsContact C-N 3.35Å; A35-T37 PolarHBondContact O-N 2.92Å; A35-A38 PolarHBondContact O-N 3.1Å; A35-V39 WeakPolarHBondContact O-CB 3.46Å; A35-V39 VanDerWaalsContact O-CG2 3.28Å; A35-V39 WeakPolarHBondContact O-CG2 3.25Å; A35-V39 PolarHBondContact O-N 2.93Å; A35-V50 HydrophobicContact CB-CG2 4.11Å; A35-A53 HydrophobicContact CB-CB 3.82Å; A35-L78 HydrophobicContact CB-CD2 3.94Å |
| 36 | K | 91.1 | Very high | 91.4 | Very high | 99 Ų | 99 | 68.6 Ų | 68.6 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.8 | -73.9 | -177.3 | 178.3 | -167.9 | 0 | 112.5 | V32 K33 S40 L78 | V32-K36 HydrophobicContact CG1-CD 4.41Å; V32-K36 WeakPolarHBondContact O-CG 3.45Å; V32-K36 PolarHBondContact O-N 2.99Å; K33-K36 PolarHBondContact O-N 2.97Å; K36-S40 WeakPolarHBondContact O-CB 3.48Å; K36-S40 PolarHBondContact O-N 3.31Å; K36-L78 HydrophobicContact CG-CD2 3.87Å |
| 37 | T | 91.6 | Very high | 91 | Very high | 61 Ų | 61 | 70.9 Ų | 70.9 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 177.7 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | K33 N34 A35 S40 N41 | K33-T37 WeakPolarHBondContact O-CG2 3.4Å; K33-T37 PolarHBondContact O-N 3.16Å; K33-T37 PolarHBondContact O-OG1 3Å; N34-T37 VanDerWaalsContact CA-OG1 3.28Å; N34-T37 WeakPolarHBondContact CA-OG1 3.49Å; N34-T37 PolarHBondContact O-N 3.21Å; N34-T37 PolarHBondContact O-OG1 3.3Å; A35-T37 VanDerWaalsContact C-N 3.35Å; A35-T37 PolarHBondContact O-N 2.92Å; T37-S40 PolarHBondContact O-N 2.95Å; T37-N41 WeakPolarHBondContact O-CB 3.29Å; T37-N41 VanDerWaalsContact O-CG 3.31Å; T37-N41 PolarHBondContact O-N 3.17Å; T37-N41 PolarHBondContact O-ND2 2.87Å |
| 38 | A | 90.3 | Very high | 90.8 | Very high | 6 Ų | 6 | 75.9 Ų | 75.9 | 5% | 0.05 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N34 A35 N41 N42 A43 K46 L49 | N34-A38 WeakPolarHBondContact O-CB 3.22Å; N34-A38 PolarHBondContact O-N 3.29Å; A35-A38 PolarHBondContact O-N 3.1Å; A38-N41 PolarHBondContact O-N 3.5Å; A38-N42 PolarHBondContact O-N 3.22Å; A38-N42 VanDerWaalsContact O-N 3.09Å; A38-A43 HydrophobicContact CB-CB 4.2Å; A38-A43 PolarHBondContact O-N 2.81Å; A38-K46 HydrophobicContact CB-CB 4.27Å; A38-L49 HydrophobicContact CB-CD1 3.45Å; A38-L49 VanDerWaalsContact CB-CD1 3.45Å |
| 39 | V | 89.6 | Confident | 90.6 | Very high | 20 Ų | 20 | 77.2 Ų | 77.2 | 12% | 0.121 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 172.9 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | A35 N41 N42 K46 V50 A81 N82 | A35-V39 WeakPolarHBondContact O-CB 3.46Å; A35-V39 VanDerWaalsContact O-CG2 3.28Å; A35-V39 WeakPolarHBondContact O-CG2 3.25Å; A35-V39 PolarHBondContact O-N 2.93Å; V39-N41 VanDerWaalsContact C-N 3.31Å; V39-N41 PolarHBondContact O-N 3.02Å; V39-N42 PolarHBondContact O-N 3.43Å; V39-K46 HydrophobicContact CG2-CB 4.48Å; V39-V50 HydrophobicContact CG2-CG2 3.89Å; V39-A81 HydrophobicContact CG1-CB 3.99Å; V39-A81 WeakPolarHBondContact CG1-O 3.39Å; V39-N82 HydrophobicContact CG2-CB 4.44Å |
| 40 | S | 88.5 | Confident | 90.5 | Very high | 93 Ų | 93 | 69.9 Ų | 69.9 | 65% | 0.65 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.6 | -33.8 | 177.9 | -170.5 | 0 | 0 | 0 | 0 | 113.5 | K36 T37 | K36-S40 WeakPolarHBondContact O-CB 3.48Å; K36-S40 PolarHBondContact O-N 3.31Å; T37-S40 PolarHBondContact O-N 2.95Å |
| 41 | N | 89.3 | Confident | 90.2 | Very high | 124 Ų | 124 | 70 Ų | 70 | 66% | 0.663 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 2.6 | -177.8 | -67.7 | -18.9 | 0 | 0 | 0 | 113.4 | T37 A38 V39 A43 | T37-N41 WeakPolarHBondContact O-CB 3.29Å; T37-N41 VanDerWaalsContact O-CG 3.31Å; T37-N41 PolarHBondContact O-N 3.17Å; T37-N41 PolarHBondContact O-ND2 2.87Å; A38-N41 PolarHBondContact O-N 3.5Å; V39-N41 VanDerWaalsContact C-N 3.31Å; V39-N41 PolarHBondContact O-N 3.02Å; N41-A43 PolarHBondContact O-N 3.31Å |
| 42 | N | 84.4 | Confident | 90.2 | Very high | 119 Ų | 119 | 73.7 Ų | 73.7 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 41.4 | -173.5 | -73.2 | -61 | 0 | 0 | 0 | 113.9 | A38 V39 | A38-N42 PolarHBondContact O-N 3.22Å; A38-N42 VanDerWaalsContact O-N 3.09Å; V39-N42 PolarHBondContact O-N 3.43Å |
| 43 | A | 84.2 | Confident | 90.2 | Very high | 32 Ų | 32 | 72.9 Ų | 72.9 | 26% | 0.264 | 39% | 0.392 | S | S | . | . | trans | -68 | 145.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A38 N41 N45 K46 | A38-A43 HydrophobicContact CB-CB 4.2Å; A38-A43 PolarHBondContact O-N 2.81Å; N41-A43 PolarHBondContact O-N 3.31Å; A43-N45 VanDerWaalsContact CB-OD1 3.3Å; A43-N45 WeakPolarHBondContact CB-OD1 3.32Å; A43-N45 PolarHBondContact O-N 2.94Å; A43-K46 VanDerWaalsContact O-CB 3.3Å; A43-K46 WeakPolarHBondContact O-CB 3.37Å; A43-K46 VanDerWaalsContact O-CG 3.28Å; A43-K46 WeakPolarHBondContact O-CG 3.32Å; A43-K46 PolarHBondContact O-N 3.14Å | ||
| 44 | D | 85.7 | Confident | 90.2 | Very high | 169 Ų | 169 | 67.2 Ų | 67.2 | 90% | 0.904 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.5 | -179.3 | -60.3 | -42.7 | 0 | 0 | 0 | 112.4 | K46 | D44-K46 VanDerWaalsContact C-N 3.29Å; D44-K46 PolarHBondContact O-N 2.92Å |
| 45 | N | 88.5 | Confident | 90.4 | Very high | 72 Ų | 72 | 69.6 Ų | 69.6 | 39% | 0.385 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 10.7 | -179.9 | 67.6 | -4.4 | 0 | 0 | 0 | 114.4 | A43 N47 E48 L49 | A43-N45 VanDerWaalsContact CB-OD1 3.3Å; A43-N45 WeakPolarHBondContact CB-OD1 3.32Å; A43-N45 PolarHBondContact O-N 2.94Å; N45-N47 VanDerWaalsContact C-N 3.28Å; N45-N47 PolarHBondContact O-N 3.46Å; N45-E48 PolarHBondContact O-N 3.43Å; N45-L49 PolarHBondContact O-N 3.07Å; N45-L49 VanDerWaalsContact O-N 3.09Å |
| 46 | K | 87.9 | Confident | 90.5 | Very high | 62 Ų | 62 | 71.7 Ų | 71.7 | 27% | 0.27 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -54.7 | -41.6 | -177 | 63.2 | -174.7 | 173.4 | 178.8 | 0 | 113 | A38 V39 A43 D44 E48 L49 V50 | A38-K46 HydrophobicContact CB-CB 4.27Å; V39-K46 HydrophobicContact CG2-CB 4.48Å; A43-K46 VanDerWaalsContact O-CB 3.3Å; A43-K46 WeakPolarHBondContact O-CB 3.37Å; A43-K46 VanDerWaalsContact O-CG 3.28Å; A43-K46 WeakPolarHBondContact O-CG 3.32Å; A43-K46 PolarHBondContact O-N 3.14Å; D44-K46 VanDerWaalsContact C-N 3.29Å; D44-K46 PolarHBondContact O-N 2.92Å; K46-E48 PolarHBondContact O-N 3.14Å; K46-L49 PolarHBondContact O-N 3.1Å; K46-V50 WeakPolarHBondContact O-CB 3.46Å; K46-V50 VanDerWaalsContact O-CG2 3.22Å; K46-V50 WeakPolarHBondContact O-CG2 3.41Å; K46-V50 PolarHBondContact O-N 3.43Å |
| 47 | N | 88.1 | Confident | 90.7 | Very high | 99 Ų | 99 | 67 Ų | 67 | 53% | 0.529 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | -178.6 | -70.4 | -29.9 | 0 | 0 | 0 | 112.4 | N45 S51 N82 | N45-N47 VanDerWaalsContact C-N 3.28Å; N45-N47 PolarHBondContact O-N 3.46Å; N47-S51 WeakPolarHBondContact O-CB 3.45Å; N47-S51 PolarHBondContact O-N 3.37Å; N47-N82 PolarHBondContact OD1-ND2 2.91Å |
| 48 | E | 91.5 | Very high | 90.9 | Very high | 149 Ų | 149 | 67.1 Ų | 67.1 | 70% | 0.696 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.4 | -43.4 | 177.9 | -61.9 | -174.8 | 165.4 | 0 | 0 | 111.3 | N45 K46 S51 L52 | N45-E48 PolarHBondContact O-N 3.43Å; K46-E48 PolarHBondContact O-N 3.14Å; E48-S51 PolarHBondContact O-N 2.85Å; E48-L52 WeakPolarHBondContact O-CB 3.44Å; E48-L52 PolarHBondContact O-N 3.5Å |
| 49 | L | 92.1 | Very high | 91.2 | Very high | 38 Ų | 38 | 72 Ų | 72 | 20% | 0.199 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 178.6 | -69.4 | 175.3 | 0 | 0 | 0 | 112.2 | A38 N45 K46 L52 A53 | A38-L49 HydrophobicContact CB-CD1 3.45Å; A38-L49 VanDerWaalsContact CB-CD1 3.45Å; N45-L49 PolarHBondContact O-N 3.07Å; N45-L49 VanDerWaalsContact O-N 3.09Å; K46-L49 PolarHBondContact O-N 3.1Å; L49-L52 PolarHBondContact O-N 3.46Å; L49-A53 WeakPolarHBondContact O-CB 3.45Å; L49-A53 PolarHBondContact O-N 3.22Å |
| 50 | V | 92 | Very high | 91.5 | Very high | 6 Ų | 6 | 71.3 Ų | 71.3 | 4% | 0.036 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 173.7 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | A35 V39 K46 L52 A53 V54 | A35-V50 HydrophobicContact CB-CG2 4.11Å; V39-V50 HydrophobicContact CG2-CG2 3.89Å; K46-V50 WeakPolarHBondContact O-CB 3.46Å; K46-V50 VanDerWaalsContact O-CG2 3.22Å; K46-V50 WeakPolarHBondContact O-CG2 3.41Å; K46-V50 PolarHBondContact O-N 3.43Å; V50-L52 VanDerWaalsContact C-N 3.34Å; V50-L52 PolarHBondContact O-N 3.06Å; V50-A53 PolarHBondContact O-N 2.88Å; V50-V54 HydrophobicContact CG1-CG2 4.39Å; V50-V54 VanDerWaalsContact O-CG2 3.31Å; V50-V54 WeakPolarHBondContact O-CG2 3.24Å; V50-V54 PolarHBondContact O-N 2.8Å |
| 51 | S | 92.6 | Very high | 91.8 | Very high | 81 Ų | 81 | 67.9 Ų | 67.9 | 57% | 0.566 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59 | -44 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | N47 E48 A53 V54 K55 | N47-S51 WeakPolarHBondContact O-CB 3.45Å; N47-S51 PolarHBondContact O-N 3.37Å; E48-S51 PolarHBondContact O-N 2.85Å; S51-A53 PolarHBondContact O-N 3.2Å; S51-V54 PolarHBondContact O-N 3.32Å; S51-K55 WeakPolarHBondContact O-CB 3.29Å; S51-K55 PolarHBondContact O-N 2.98Å |
| 52 | L | 93.7 | Very high | 92.1 | Very high | 85 Ų | 85 | 69.8 Ų | 69.8 | 45% | 0.445 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 175 | -178.6 | 64.2 | 0 | 0 | 0 | 112 | E48 L49 V50 K55 L56 | E48-L52 WeakPolarHBondContact O-CB 3.44Å; E48-L52 PolarHBondContact O-N 3.5Å; L49-L52 PolarHBondContact O-N 3.46Å; V50-L52 VanDerWaalsContact C-N 3.34Å; V50-L52 PolarHBondContact O-N 3.06Å; L52-K55 PolarHBondContact O-N 3.48Å; L52-L56 HydrophobicContact CD1-CD1 4.35Å; L52-L56 HydrophobicContact CG-CD1 4.29Å; L52-L56 WeakPolarHBondContact O-CG 3.42Å; L52-L56 PolarHBondContact O-N 3.49Å |
| 53 | A | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | A31 V32 A35 L49 V50 S51 K55 L56 V57 L78 | A31-A53 HydrophobicContact CB-CB 4.29Å; V32-A53 HydrophobicContact CG2-CB 4.42Å; A35-A53 HydrophobicContact CB-CB 3.82Å; L49-A53 WeakPolarHBondContact O-CB 3.45Å; L49-A53 PolarHBondContact O-N 3.22Å; V50-A53 PolarHBondContact O-N 2.88Å; S51-A53 PolarHBondContact O-N 3.2Å; A53-K55 PolarHBondContact O-N 2.82Å; A53-L56 PolarHBondContact O-N 2.94Å; A53-V57 WeakPolarHBondContact O-CB 3.26Å; A53-V57 VanDerWaalsContact O-CG2 3.22Å; A53-V57 WeakPolarHBondContact O-CG2 3.46Å; A53-V57 PolarHBondContact O-N 3.42Å; A53-L78 HydrophobicContact CB-CD1 3.83Å |
| 54 | V | 94.6 | Very high | 93 | Very high | 24 Ų | 24 | 72.8 Ų | 72.8 | 15% | 0.145 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | V50 S51 L56 V57 D58 K75 M79 | V50-V54 HydrophobicContact CG1-CG2 4.39Å; V50-V54 VanDerWaalsContact O-CG2 3.31Å; V50-V54 WeakPolarHBondContact O-CG2 3.24Å; V50-V54 PolarHBondContact O-N 2.8Å; S51-V54 PolarHBondContact O-N 3.32Å; V54-L56 VanDerWaalsContact C-N 3.31Å; V54-L56 PolarHBondContact O-N 3.31Å; V54-V57 PolarHBondContact O-N 3Å; V54-V57 VanDerWaalsContact O-N 3.16Å; V54-D58 PolarHBondContact O-N 3.46Å; V54-K75 HydrophobicContact CG1-CD 4.04Å; V54-K75 HydrophobicContact CG1-CG 4.37Å; V54-M79 HydrophobicContact CG2-CE 3.92Å |
| 55 | K | 95.7 | Very high | 93.5 | Very high | 122 Ų | 122 | 65.7 Ų | 65.7 | 53% | 0.53 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.3 | -43 | 177.5 | 178.9 | 175 | 177.3 | 174.1 | 0 | 112.7 | S51 L52 A53 K59 | S51-K55 WeakPolarHBondContact O-CB 3.29Å; S51-K55 PolarHBondContact O-N 2.98Å; L52-K55 PolarHBondContact O-N 3.48Å; A53-K55 PolarHBondContact O-N 2.82Å; K55-K59 WeakPolarHBondContact O-CB 3.38Å; K55-K59 WeakPolarHBondContact O-CG 3.35Å; K55-K59 PolarHBondContact O-N 3.13Å; K55-K59 VanDerWaalsContact O-N 3.1Å |
| 56 | L | 95.5 | Very high | 93.8 | Very high | 45 Ų | 45 | 62.9 Ų | 62.9 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.9 | -34.4 | 179.6 | -72 | 173.7 | 0 | 0 | 0 | 112.7 | M28 A31 L52 A53 V54 A60 | M28-L56 HydrophobicContact CB-CB 4.5Å; A31-L56 HydrophobicContact CB-CD1 3.44Å; A31-L56 VanDerWaalsContact CB-CD1 3.44Å; L52-L56 HydrophobicContact CD1-CD1 4.35Å; L52-L56 HydrophobicContact CG-CD1 4.29Å; L52-L56 WeakPolarHBondContact O-CG 3.42Å; L52-L56 PolarHBondContact O-N 3.49Å; A53-L56 PolarHBondContact O-N 2.94Å; V54-L56 VanDerWaalsContact C-N 3.31Å; V54-L56 PolarHBondContact O-N 3.31Å; L56-A60 WeakPolarHBondContact O-CB 3.4Å; L56-A60 PolarHBondContact O-N 3.37Å |
| 57 | V | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 174.3 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | M28 V32 A53 V54 K59 A60 A61 I66 A71 I74 K75 | M28-V57 HydrophobicContact CG-CG2 3.88Å; M28-V57 HydrophobicContact SD-CG2 4.21Å; V32-V57 HydrophobicContact CG2-CG2 3.78Å; A53-V57 WeakPolarHBondContact O-CB 3.26Å; A53-V57 VanDerWaalsContact O-CG2 3.22Å; A53-V57 WeakPolarHBondContact O-CG2 3.46Å; A53-V57 PolarHBondContact O-N 3.42Å; V54-V57 PolarHBondContact O-N 3Å; V54-V57 VanDerWaalsContact O-N 3.16Å; V57-K59 PolarHBondContact O-N 3.43Å; V57-A60 PolarHBondContact O-N 3.06Å; V57-A61 PolarHBondContact O-N 3.48Å; V57-I66 HydrophobicContact CG1-CD1 4.09Å; V57-A71 HydrophobicContact CG1-CB 3.68Å; V57-I74 HydrophobicContact CG1-CB 4.37Å; V57-I74 HydrophobicContact CG1-CG2 4.45Å; V57-I74 HydrophobicContact CG2-CB 4.44Å; V57-I74 HydrophobicContact CG2-CG2 3.72Å; V57-K75 HydrophobicContact CG1-CG 4.22Å |
| 58 | D | 95.9 | Very high | 94.6 | Very high | 63 Ų | 63 | 64 Ų | 64 | 34% | 0.337 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 178.3 | -70.3 | -34.8 | 0 | 0 | 0 | 111.7 | V54 A60 A61 Q62 K75 | V54-D58 PolarHBondContact O-N 3.46Å; D58-A60 VanDerWaalsContact C-N 3.33Å; D58-A60 PolarHBondContact O-N 2.92Å; D58-A61 WeakPolarHBondContact O-CB 3.34Å; D58-A61 PolarHBondContact O-N 3.38Å; D58-Q62 PolarHBondContact O-N 2.88Å; D58-K75 WeakPolarHBondContact OD1-CD 3.26Å; D58-K75 WeakPolarHBondContact OD1-CE 3.36Å; D58-K75 IonicContact OD1-NZ 2.8Å; D58-K75 PolarHBondContact OD1-NZ 3.37Å |
| 59 | K | 95.8 | Very high | 94.8 | Very high | 109 Ų | 109 | 61.9 Ų | 61.9 | 47% | 0.474 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 172.6 | -78.2 | -177.4 | 175.9 | -165.5 | 0 | 112.9 | K55 V57 A61 Q62 S63 | K55-K59 WeakPolarHBondContact O-CB 3.38Å; K55-K59 WeakPolarHBondContact O-CG 3.35Å; K55-K59 PolarHBondContact O-N 3.13Å; K55-K59 VanDerWaalsContact O-N 3.1Å; V57-K59 PolarHBondContact O-N 3.43Å; K59-A61 VanDerWaalsContact C-N 3.31Å; K59-Q62 PolarHBondContact O-N 2.98Å; K59-S63 WeakPolarHBondContact O-CB 3.13Å; K59-S63 PolarHBondContact O-N 2.85Å; K59-S63 PolarHBondContact O-OG 3.37Å |
| 60 | A | 95.6 | Very high | 95 | Very high | 5 Ų | 5 | 64.3 Ų | 64.3 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68 | -33.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | M28 L56 V57 D58 N64 L65 I66 | M28-A60 HydrophobicContact CG-CB 4.43Å; M28-A60 HydrophobicContact SD-CB 3.54Å; M28-A60 VanDerWaalsContact SD-CB 3.54Å; L56-A60 WeakPolarHBondContact O-CB 3.4Å; L56-A60 PolarHBondContact O-N 3.37Å; V57-A60 PolarHBondContact O-N 3.06Å; D58-A60 VanDerWaalsContact C-N 3.33Å; D58-A60 PolarHBondContact O-N 2.92Å; A60-N64 PolarHBondContact O-N 3.13Å; A60-L65 HydrophobicContact CB-CB 4.31Å; A60-L65 HydrophobicContact CB-CD1 4.33Å; A60-L65 WeakPolarHBondContact O-CB 3.44Å; A60-L65 PolarHBondContact O-N 2.85Å; A60-I66 HydrophobicContact CB-CD1 4.12Å; A60-I66 HydrophobicContact CB-CG1 3.93Å; A60-I66 PolarHBondContact O-N 3.03Å |
| 61 | A | 95.7 | Very high | 95.3 | Very high | 22 Ų | 22 | 64 Ų | 64 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.5 | -46.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V57 D58 K59 S63 N64 I66 A71 | V57-A61 PolarHBondContact O-N 3.48Å; D58-A61 WeakPolarHBondContact O-CB 3.34Å; D58-A61 PolarHBondContact O-N 3.38Å; K59-A61 VanDerWaalsContact C-N 3.31Å; A61-S63 PolarHBondContact O-N 3.39Å; A61-N64 PolarHBondContact O-N 3.49Å; A61-I66 HydrophobicContact CB-CG1 4.26Å; A61-A71 HydrophobicContact CB-CB 3.77Å |
| 62 | Q | 95.3 | Very high | 95.4 | Very high | 163 Ų | 163 | 63.9 Ų | 63.9 | 76% | 0.762 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.5 | -36 | 177.5 | -172.3 | -178.6 | 12.8 | 0 | 0 | 112.3 | D58 K59 N64 | D58-Q62 PolarHBondContact O-N 2.88Å; K59-Q62 PolarHBondContact O-N 2.98Å; Q62-N64 PolarHBondContact O-N 3.28Å |
| 63 | S | 93 | Very high | 95.5 | Very high | 69 Ų | 69 | 66.1 Ų | 66.1 | 48% | 0.483 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 7.5 | 177.4 | -53.2 | 0 | 0 | 0 | 0 | 113.4 | K59 A61 L65 | K59-S63 WeakPolarHBondContact O-CB 3.13Å; K59-S63 PolarHBondContact O-N 2.85Å; K59-S63 PolarHBondContact O-OG 3.37Å; A61-S63 PolarHBondContact O-N 3.39Å; S63-L65 PolarHBondContact O-N 3.06Å; S63-L65 VanDerWaalsContact O-N 3.13Å |
| 64 | N | 94.5 | Very high | 95.6 | Very high | 145 Ų | 145 | 67 Ų | 67 | 78% | 0.775 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 25 | -176.3 | -63.1 | -57.5 | 0 | 0 | 0 | 114.6 | A60 A61 Q62 I66 | A60-N64 PolarHBondContact O-N 3.13Å; A61-N64 PolarHBondContact O-N 3.49Å; Q62-N64 PolarHBondContact O-N 3.28Å; N64-I66 VanDerWaalsContact C-N 3.34Å |
| 65 | L | 94.8 | Very high | 95.6 | Very high | 20 Ų | 20 | 68.3 Ų | 68.3 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -76 | -29.2 | 175.1 | -58.9 | 175.7 | 0 | 0 | 0 | 111.6 | N21 Q24 K25 A60 S63 | N21-L65 HydrophobicContact CB-CD2 3.96Å; N21-L65 WeakPolarHBondContact OD1-CD2 3.42Å; Q24-L65 HydrophobicContact CB-CD1 3.54Å; Q24-L65 HydrophobicContact CG-CD1 4.43Å; Q24-L65 VanDerWaalsContact OE1-CD1 3.25Å; K25-L65 WeakPolarHBondContact CE-O 3.31Å; K25-L65 HydrophobicContact CG-CB 4.28Å; A60-L65 HydrophobicContact CB-CB 4.31Å; A60-L65 HydrophobicContact CB-CD1 4.33Å; A60-L65 WeakPolarHBondContact O-CB 3.44Å; A60-L65 PolarHBondContact O-N 2.85Å; S63-L65 PolarHBondContact O-N 3.06Å; S63-L65 VanDerWaalsContact O-N 3.13Å |
| 66 | I | 95.3 | Very high | 95.5 | Very high | 14 Ų | 14 | 65.9 Ų | 65.9 | 7% | 0.072 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -132.2 | 148.9 | 172 | 60.5 | 169.4 | 0 | 0 | 0 | 109 | M28 V57 A60 A61 N64 K70 A71 | M28-I66 HydrophobicContact CE-CG2 4.07Å; M28-I66 HydrophobicContact SD-CD1 3.77Å; M28-I66 HydrophobicContact SD-CG2 4.29Å; V57-I66 HydrophobicContact CG1-CD1 4.09Å; A60-I66 HydrophobicContact CB-CD1 4.12Å; A60-I66 HydrophobicContact CB-CG1 3.93Å; A60-I66 PolarHBondContact O-N 3.03Å; A61-I66 HydrophobicContact CB-CG1 4.26Å; N64-I66 VanDerWaalsContact C-N 3.34Å; I66-K70 HydrophobicContact CB-CD 4.21Å; I66-K70 HydrophobicContact CB-CG 4.44Å; I66-K70 HydrophobicContact CG2-CD 4.14Å; I66-A71 HydrophobicContact CD1-CB 3.73Å; I66-A71 HydrophobicContact CG1-CB 4.43Å |
| 67 | H | 96.9 | Very high | 95.3 | Very high | 123 Ų | 123 | 68.2 Ų | 68.2 | 57% | 0.569 | 35% | 0.35 | S | S | * | . | trans | -68.7 | 150 | 173.7 | -168.9 | -79.8 | 0 | 0 | 0 | 111 | N69 K70 A71 | H67-N69 PolarHBondContact ND1-N 2.78Å; H67-N69 VanDerWaalsContact ND1-N 3.11Å; H67-N69 PolarHBondContact O-N 3.08Å; H67-K70 WeakPolarHBondContact O-CA 3.33Å; H67-K70 WeakPolarHBondContact O-CB 3.49Å; H67-K70 PolarHBondContact O-N 3.32Å; H67-A71 PolarHBondContact O-N 3.4Å | ||
| 68 | S | 95.3 | Very high | 95.1 | Very high | 61 Ų | 61 | 68.3 Ų | 68.3 | 43% | 0.427 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -49.8 | -53.3 | 176.6 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | K70 A71 D72 | S68-K70 PolarHBondContact O-N 3.37Å; S68-A71 CarbonylContact O-C 3.6Å; S68-A71 WeakPolarHBondContact O-CA 3.38Å; S68-A71 VanDerWaalsContact O-CB 3.26Å; S68-A71 WeakPolarHBondContact O-CB 3.37Å; S68-A71 PolarHBondContact O-N 3.41Å; S68-D72 PolarHBondContact O-N 3.03Å |
| 69 | N | 97.2 | Very high | 94.7 | Very high | 105 Ų | 105 | 70.3 Ų | 70.3 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -53.3 | -31.6 | 175.4 | -58 | -0.7 | 0 | 0 | 0 | 114.4 | H67 R73 | H67-N69 PolarHBondContact ND1-N 2.78Å; H67-N69 VanDerWaalsContact ND1-N 3.11Å; H67-N69 PolarHBondContact O-N 3.08Å; N69-R73 WeakPolarHBondContact O-CB 3.41Å; N69-R73 PolarHBondContact O-N 3.11Å; N69-R73 VanDerWaalsContact O-N 3.13Å |
| 70 | K | 96.7 | Very high | 94.4 | Very high | 88 Ų | 88 | 70 Ų | 70 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -75.3 | -40.1 | 174.9 | 178.3 | 169.7 | -179 | 172.6 | 0 | 111 | I66 H67 S68 I74 | I66-K70 HydrophobicContact CB-CD 4.21Å; I66-K70 HydrophobicContact CB-CG 4.44Å; I66-K70 HydrophobicContact CG2-CD 4.14Å; H67-K70 WeakPolarHBondContact O-CA 3.33Å; H67-K70 WeakPolarHBondContact O-CB 3.49Å; H67-K70 PolarHBondContact O-N 3.32Å; S68-K70 PolarHBondContact O-N 3.37Å; K70-I74 HydrophobicContact CG-CD1 4.1Å; K70-I74 VanDerWaalsContact O-CG1 3.29Å; K70-I74 WeakPolarHBondContact O-CG1 3.35Å; K70-I74 PolarHBondContact O-N 3.13Å; K70-I74 VanDerWaalsContact O-N 3.1Å |
| 71 | A | 96.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.008 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | V57 A61 I66 H67 S68 R73 I74 K75 | V57-A71 HydrophobicContact CG1-CB 3.68Å; A61-A71 HydrophobicContact CB-CB 3.77Å; I66-A71 HydrophobicContact CD1-CB 3.73Å; I66-A71 HydrophobicContact CG1-CB 4.43Å; H67-A71 PolarHBondContact O-N 3.4Å; S68-A71 CarbonylContact O-C 3.6Å; S68-A71 WeakPolarHBondContact O-CA 3.38Å; S68-A71 VanDerWaalsContact O-CB 3.26Å; S68-A71 WeakPolarHBondContact O-CB 3.37Å; S68-A71 PolarHBondContact O-N 3.41Å; A71-R73 PolarHBondContact O-N 3.13Å; A71-I74 PolarHBondContact O-N 2.95Å; A71-I74 VanDerWaalsContact O-N 3.14Å; A71-K75 WeakPolarHBondContact O-CG 3.45Å; A71-K75 PolarHBondContact O-N 3.29Å |
| 72 | D | 96.1 | Very high | 92.9 | Very high | 78 Ų | 78 | 73.5 Ų | 73.5 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 179.8 | -61.7 | -34.1 | 0 | 0 | 0 | 112 | S68 I74 K75 S76 | S68-D72 PolarHBondContact O-N 3.03Å; D72-I74 PolarHBondContact O-N 2.88Å; D72-K75 PolarHBondContact O-N 3.24Å; D72-K75 WeakPolarHBondContact OD1-CE 3.5Å; D72-K75 IonicContact OD1-NZ 3.32Å; D72-K75 PolarHBondContact OD1-NZ 3.48Å; D72-S76 VanDerWaalsContact O-CB 3.32Å; D72-S76 WeakPolarHBondContact O-CB 3.44Å; D72-S76 PolarHBondContact O-N 3.07Å |
| 73 | R | 96.2 | Very high | 91.5 | Very high | 132 Ų | 132 | 77.5 Ų | 77.5 | 50% | 0.498 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 172.8 | -176.3 | 175 | 65.7 | -106.3 | 10.4 | 112.3 | N69 A71 S76 Q77 | N69-R73 WeakPolarHBondContact O-CB 3.41Å; N69-R73 PolarHBondContact O-N 3.11Å; N69-R73 VanDerWaalsContact O-N 3.13Å; A71-R73 PolarHBondContact O-N 3.13Å; R73-S76 PolarHBondContact O-N 3.5Å; R73-Q77 VanDerWaalsContact O-CG 3.32Å; R73-Q77 WeakPolarHBondContact O-CG 3.42Å; R73-Q77 PolarHBondContact O-N 3.34Å |
| 74 | I | 94.8 | Very high | 91.5 | Very high | 19 Ų | 19 | 78 Ų | 78 | 10% | 0.097 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 179.4 | -67.3 | 165.7 | 0 | 0 | 0 | 110.3 | V32 V57 K70 A71 D72 Q77 L78 | V32-I74 HydrophobicContact CG1-CG2 4.13Å; V32-I74 HydrophobicContact CG2-CG2 3.79Å; V57-I74 HydrophobicContact CG1-CB 4.37Å; V57-I74 HydrophobicContact CG1-CG2 4.45Å; V57-I74 HydrophobicContact CG2-CB 4.44Å; V57-I74 HydrophobicContact CG2-CG2 3.72Å; K70-I74 HydrophobicContact CG-CD1 4.1Å; K70-I74 VanDerWaalsContact O-CG1 3.29Å; K70-I74 WeakPolarHBondContact O-CG1 3.35Å; K70-I74 PolarHBondContact O-N 3.13Å; K70-I74 VanDerWaalsContact O-N 3.1Å; A71-I74 PolarHBondContact O-N 2.95Å; A71-I74 VanDerWaalsContact O-N 3.14Å; D72-I74 PolarHBondContact O-N 2.88Å; I74-Q77 PolarHBondContact O-N 2.79Å; I74-L78 HydrophobicContact CG2-CD1 4.11Å; I74-L78 WeakPolarHBondContact O-CG 3.41Å; I74-L78 PolarHBondContact O-N 3.46Å |
| 75 | K | 94.4 | Very high | 91.3 | Very high | 51 Ų | 51 | 74.4 Ų | 74.4 | 22% | 0.222 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 175.8 | -72 | -173.3 | -63.3 | -166 | 0 | 111.3 | V54 V57 D58 A71 D72 Q77 L78 M79 | V54-K75 HydrophobicContact CG1-CD 4.04Å; V54-K75 HydrophobicContact CG1-CG 4.37Å; V57-K75 HydrophobicContact CG1-CG 4.22Å; D58-K75 WeakPolarHBondContact OD1-CD 3.26Å; D58-K75 WeakPolarHBondContact OD1-CE 3.36Å; D58-K75 IonicContact OD1-NZ 2.8Å; D58-K75 PolarHBondContact OD1-NZ 3.37Å; A71-K75 WeakPolarHBondContact O-CG 3.45Å; A71-K75 PolarHBondContact O-N 3.29Å; D72-K75 PolarHBondContact O-N 3.24Å; D72-K75 WeakPolarHBondContact OD1-CE 3.5Å; D72-K75 IonicContact OD1-NZ 3.32Å; D72-K75 PolarHBondContact OD1-NZ 3.48Å; K75-Q77 PolarHBondContact O-N 3.21Å; K75-L78 PolarHBondContact O-N 3.04Å; K75-M79 WeakPolarHBondContact O-CB 3.14Å; K75-M79 VanDerWaalsContact O-CG 3.28Å; K75-M79 WeakPolarHBondContact O-CG 3.4Å; K75-M79 PolarHBondContact O-N 3.26Å |
| 76 | S | 93.8 | Very high | 91.1 | Very high | 70 Ų | 70 | 77.4 Ų | 77.4 | 49% | 0.49 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.3 | -47.9 | 176.3 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | D72 R73 L78 M79 T80 | D72-S76 VanDerWaalsContact O-CB 3.32Å; D72-S76 WeakPolarHBondContact O-CB 3.44Å; D72-S76 PolarHBondContact O-N 3.07Å; R73-S76 PolarHBondContact O-N 3.5Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 3.13Å; S76-M79 PolarHBondContact O-N 3.06Å; S76-T80 WeakPolarHBondContact O-CB 3.47Å; S76-T80 PolarHBondContact O-N 2.95Å; S76-T80 PolarHBondContact O-OG1 3.07Å |
| 77 | Q | 92.4 | Very high | 90.9 | Very high | 95 Ų | 95 | 81.2 Ų | 81.2 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 177.7 | -74.8 | -178.3 | -19.3 | 0 | 0 | 113.4 | R73 I74 K75 A81 | R73-Q77 VanDerWaalsContact O-CG 3.32Å; R73-Q77 WeakPolarHBondContact O-CG 3.42Å; R73-Q77 PolarHBondContact O-N 3.34Å; I74-Q77 PolarHBondContact O-N 2.79Å; K75-Q77 PolarHBondContact O-N 3.21Å; Q77-A81 WeakPolarHBondContact O-CB 3.38Å; Q77-A81 PolarHBondContact O-N 3.33Å |
| 78 | L | 90.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 78.6 Ų | 78.6 | 1% | 0.01 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.7 | -41.6 | 178.2 | -71.6 | 174.8 | 0 | 0 | 0 | 111.8 | V32 A35 K36 A53 I74 K75 S76 A81 N82 | V32-L78 HydrophobicContact CG1-CD2 4.5Å; V32-L78 HydrophobicContact CG2-CD1 4.49Å; A35-L78 HydrophobicContact CB-CD2 3.94Å; K36-L78 HydrophobicContact CG-CD2 3.87Å; A53-L78 HydrophobicContact CB-CD1 3.83Å; I74-L78 HydrophobicContact CG2-CD1 4.11Å; I74-L78 WeakPolarHBondContact O-CG 3.41Å; I74-L78 PolarHBondContact O-N 3.46Å; K75-L78 PolarHBondContact O-N 3.04Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 3.13Å; L78-A81 PolarHBondContact O-N 3.36Å; L78-N82 WeakPolarHBondContact O-CB 3.24Å; L78-N82 PolarHBondContact O-N 3.38Å; L78-N82 VanDerWaalsContact O-N 3.12Å |
| 79 | M | 88.6 | Confident | 90.2 | Very high | 105 Ų | 105 | 79.7 Ų | 79.7 | 52% | 0.517 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.8 | -41.2 | -179.8 | -66.7 | -59.6 | -175 | 0 | 0 | 112.2 | V54 K75 S76 A81 N82 | V54-M79 HydrophobicContact CG2-CE 3.92Å; K75-M79 WeakPolarHBondContact O-CB 3.14Å; K75-M79 VanDerWaalsContact O-CG 3.28Å; K75-M79 WeakPolarHBondContact O-CG 3.4Å; K75-M79 PolarHBondContact O-N 3.26Å; S76-M79 PolarHBondContact O-N 3.06Å; M79-A81 VanDerWaalsContact C-N 3.28Å; M79-A81 PolarHBondContact O-N 3.1Å; M79-N82 PolarHBondContact O-N 3.48Å |
| 80 | T | 89.8 | Confident | 89.7 | Confident | 103 Ų | 103 | 77.9 Ų | 77.9 | 63% | 0.632 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.4 | -35.8 | 176 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | S76 | S76-T80 WeakPolarHBondContact O-CB 3.47Å; S76-T80 PolarHBondContact O-N 2.95Å; S76-T80 PolarHBondContact O-OG1 3.07Å |
| 81 | A | 82.3 | Confident | 89.1 | Confident | 51 Ų | 51 | 77.2 Ų | 77.2 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -75.5 | -26.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V39 Q77 L78 M79 K83 | V39-A81 HydrophobicContact CG1-CB 3.99Å; V39-A81 WeakPolarHBondContact CG1-O 3.39Å; Q77-A81 WeakPolarHBondContact O-CB 3.38Å; Q77-A81 PolarHBondContact O-N 3.33Å; L78-A81 PolarHBondContact O-N 3.36Å; M79-A81 VanDerWaalsContact C-N 3.28Å; M79-A81 PolarHBondContact O-N 3.1Å; A81-K83 PolarHBondContact O-N 3.15Å |
| 82 | N | 76.5 | Confident | 88.5 | Confident | 49 Ų | 49 | 83.5 Ų | 83.5 | 26% | 0.262 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 7.3 | 180 | -164 | 51.5 | 0 | 0 | 0 | 113.7 | V39 N47 L78 M79 | V39-N82 HydrophobicContact CG2-CB 4.44Å; N47-N82 PolarHBondContact OD1-ND2 2.91Å; L78-N82 WeakPolarHBondContact O-CB 3.24Å; L78-N82 PolarHBondContact O-N 3.38Å; L78-N82 VanDerWaalsContact O-N 3.12Å; M79-N82 PolarHBondContact O-N 3.48Å |
| 83 | K | 67.2 | Low | 87.8 | Confident | 247 Ų | 247 | 84 Ų | 84 | 100% | 1.074 | 42% | 0.424 | S | S | * | . | trans | -85.5 | 0 | 174.1 | -172.8 | -178.5 | -179.3 | -177.5 | 0 | 110.1 | A81 | A81-K83 PolarHBondContact O-N 3.15Š|
Retrieved 83 of 83 residues in 322.3 ms
(Link to these results)