| 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 | 50.8 | Low | 66.2 | Low | 246 Ų | 246 | 111.4 Ų | 111.4 | 100% | 1.212 | 67% | 0.665 | S | S | * | * | 0 | 100.1 | 0 | -76 | 173.5 | 96.3 | 0 | 0 | 108.5 | |||||
| 2 | V | 63 | Low | 67.2 | Low | 137 Ų | 137 | 116.8 Ų | 116.8 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | trans | -91.9 | 137.6 | 172.7 | 178.2 | 0 | 0 | 0 | 0 | 106.9 | L4 | V2-L4 PolarHBondContact O-N 3.26Š| ||
| 3 | P | 58 | Low | 67.9 | Low | 106 Ų | 106 | 111.8 Ų | 111.8 | 69% | 0.688 | 65% | 0.646 | S | S | * | * | trans | -73.3 | 104.7 | -165.6 | 29.1 | -33.2 | 0 | 0 | 0 | 110.9 | A5 | P3-A5 PolarHBondContact O-N 3Š| ||
| 4 | L | 62.3 | Low | 68.7 | Low | 143 Ų | 143 | 107.4 Ų | 107.4 | 75% | 0.749 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.1 | -22.5 | 175.6 | -166.3 | 71.2 | 0 | 0 | 0 | 112.6 | V2 G6 A7 Q8 | V2-L4 PolarHBondContact O-N 3.26Å; L4-G6 PolarHBondContact O-N 3.31Å; L4-A7 PolarHBondContact O-N 3.43Å; L4-Q8 PolarHBondContact O-N 3.47Å |
| 5 | A | 62 | Low | 69.8 | Low | 78 Ų | 78 | 106.1 Ų | 106.1 | 65% | 0.645 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.8 | -38.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P3 Q8 G9 | P3-A5 PolarHBondContact O-N 3Å; A5-Q8 PolarHBondContact O-N 3.13Å; A5-G9 PolarHBondContact O-N 3.46Å; A5-G9 VanDerWaalsContact O-N 3.13Å |
| 6 | G | 63.2 | Low | 70.6 | Confident | 53 Ų | 53 | 104.6 Ų | 104.6 | 55% | 0.546 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.2 | -39.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L4 Q8 G9 A10 | L4-G6 PolarHBondContact O-N 3.31Å; G6-Q8 VanDerWaalsContact C-N 3.33Å; G6-Q8 PolarHBondContact O-N 3.44Å; G6-G9 PolarHBondContact O-N 3.36Å; G6-A10 PolarHBondContact O-N 2.88Å |
| 7 | A | 68.7 | Low | 71.2 | Confident | 53 Ų | 53 | 104.6 Ų | 104.6 | 44% | 0.438 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.9 | -35.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L4 R11 | L4-A7 PolarHBondContact O-N 3.43Å; A7-R11 WeakPolarHBondContact O-CB 3.47Å; A7-R11 VanDerWaalsContact O-CG 3.32Å; A7-R11 WeakPolarHBondContact O-CG 3.16Å; A7-R11 PolarHBondContact O-N 2.92Å |
| 8 | Q | 71.9 | Confident | 72.2 | Confident | 110 Ų | 110 | 101.6 Ų | 101.6 | 51% | 0.514 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.6 | -37.2 | 178.9 | -156.9 | 168.9 | 27.6 | 0 | 0 | 112.2 | L4 A5 G6 R11 R12 | L4-Q8 PolarHBondContact O-N 3.47Å; A5-Q8 PolarHBondContact O-N 3.13Å; G6-Q8 VanDerWaalsContact C-N 3.33Å; G6-Q8 PolarHBondContact O-N 3.44Å; Q8-R11 PolarHBondContact O-N 3.26Å; Q8-R12 WeakPolarHBondContact O-CG 3.32Å; Q8-R12 PolarHBondContact O-N 2.9Å |
| 9 | G | 74.5 | Confident | 73.3 | Confident | 42 Ų | 42 | 100.6 Ų | 100.6 | 43% | 0.433 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62 | -47.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A5 G6 R11 R12 A13 | A5-G9 PolarHBondContact O-N 3.46Å; A5-G9 VanDerWaalsContact O-N 3.13Å; G6-G9 PolarHBondContact O-N 3.36Å; G9-R11 PolarHBondContact O-N 3.42Å; G9-R12 PolarHBondContact O-N 3.05Å; G9-A13 WeakPolarHBondContact O-CB 3.49Å; G9-A13 PolarHBondContact O-N 3.49Å |
| 10 | A | 75.9 | Confident | 74.2 | Confident | 64 Ų | 64 | 100.3 Ų | 100.3 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.1 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G6 A13 A14 | G6-A10 PolarHBondContact O-N 2.88Å; A10-A13 PolarHBondContact O-N 3.45Å; A10-A14 VanDerWaalsContact O-CB 3.31Å; A10-A14 WeakPolarHBondContact O-CB 3.31Å; A10-A14 PolarHBondContact O-N 3.06Å |
| 11 | R | 77.7 | Confident | 75.2 | Confident | 193 Ų | 193 | 100.5 Ų | 100.5 | 73% | 0.728 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.1 | -45 | 174.7 | -76.9 | 178.2 | 178.6 | -167.4 | 0.4 | 112.4 | A7 Q8 G9 A14 V15 | A7-R11 WeakPolarHBondContact O-CB 3.47Å; A7-R11 VanDerWaalsContact O-CG 3.32Å; A7-R11 WeakPolarHBondContact O-CG 3.16Å; A7-R11 PolarHBondContact O-N 2.92Å; Q8-R11 PolarHBondContact O-N 3.26Å; G9-R11 PolarHBondContact O-N 3.42Å; R11-A14 PolarHBondContact O-N 3.02Å; R11-V15 WeakPolarHBondContact O-CB 3.45Å; R11-V15 VanDerWaalsContact O-CG2 3.24Å; R11-V15 WeakPolarHBondContact O-CG2 3.4Å; R11-V15 PolarHBondContact O-N 2.91Å |
| 12 | R | 78.4 | Confident | 77.2 | Confident | 177 Ų | 177 | 94.7 Ų | 94.7 | 67% | 0.668 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.5 | -44.7 | 177.3 | -76.3 | -179.5 | 172.9 | 177.5 | -1.1 | 111.7 | Q8 G9 V15 V16 | Q8-R12 WeakPolarHBondContact O-CG 3.32Å; Q8-R12 PolarHBondContact O-N 2.9Å; G9-R12 PolarHBondContact O-N 3.05Å; R12-V15 PolarHBondContact O-N 3.25Å; R12-V16 WeakPolarHBondContact O-CG2 3.24Å; R12-V16 PolarHBondContact O-N 3.26Å |
| 13 | A | 76.4 | Confident | 78.8 | Confident | 51 Ų | 51 | 96 Ų | 96 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G9 A10 V15 V16 I17 | G9-A13 WeakPolarHBondContact O-CB 3.49Å; G9-A13 PolarHBondContact O-N 3.49Å; A10-A13 PolarHBondContact O-N 3.45Å; A13-V15 PolarHBondContact O-N 2.91Å; A13-V16 PolarHBondContact O-N 3.46Å; A13-I17 VanDerWaalsContact O-CG1 3.3Å; A13-I17 WeakPolarHBondContact O-CG1 3.5Å; A13-I17 PolarHBondContact O-N 2.89Å |
| 14 | A | 79.6 | Confident | 80.5 | Confident | 51 Ų | 51 | 97.5 Ų | 97.5 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A10 R11 V16 I17 T18 | A10-A14 VanDerWaalsContact O-CB 3.31Å; A10-A14 WeakPolarHBondContact O-CB 3.31Å; A10-A14 PolarHBondContact O-N 3.06Å; R11-A14 PolarHBondContact O-N 3.02Å; A14-V16 PolarHBondContact O-N 3.36Å; A14-I17 PolarHBondContact O-N 3.47Å; A14-T18 WeakPolarHBondContact O-CG2 3.3Å; A14-T18 PolarHBondContact O-N 3.39Å; A14-T18 PolarHBondContact O-OG1 3.44Å |
| 15 | V | 84.8 | Confident | 82.1 | Confident | 87 Ų | 87 | 95 Ų | 95 | 53% | 0.527 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -44 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | R11 R12 A13 T18 E19 | R11-V15 WeakPolarHBondContact O-CB 3.45Å; R11-V15 VanDerWaalsContact O-CG2 3.24Å; R11-V15 WeakPolarHBondContact O-CG2 3.4Å; R11-V15 PolarHBondContact O-N 2.91Å; R12-V15 PolarHBondContact O-N 3.25Å; A13-V15 PolarHBondContact O-N 2.91Å; V15-T18 WeakPolarHBondContact CA-OG1 3.36Å; V15-T18 PolarHBondContact O-N 3.48Å; V15-T18 PolarHBondContact O-OG1 3.28Å; V15-E19 WeakPolarHBondContact O-CB 3.43Å; V15-E19 PolarHBondContact O-N 2.97Å |
| 16 | V | 82.4 | Confident | 83.7 | Confident | 83 Ų | 83 | 99.1 Ų | 99.1 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | R12 A13 A14 T18 E19 E20 | R12-V16 WeakPolarHBondContact O-CG2 3.24Å; R12-V16 PolarHBondContact O-N 3.26Å; A13-V16 PolarHBondContact O-N 3.46Å; A14-V16 PolarHBondContact O-N 3.36Å; V16-T18 VanDerWaalsContact C-N 3.28Å; V16-T18 PolarHBondContact O-N 3.1Å; V16-E19 PolarHBondContact O-N 3.46Å; V16-E19 VanDerWaalsContact O-N 3.1Å; V16-E20 PolarHBondContact O-N 2.7Å |
| 17 | I | 81 | Confident | 85.3 | Confident | 105 Ų | 105 | 101.8 Ų | 101.8 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 176 | -66.7 | 166.9 | 0 | 0 | 0 | 110.3 | A13 A14 E19 E20 E21 | A13-I17 VanDerWaalsContact O-CG1 3.3Å; A13-I17 WeakPolarHBondContact O-CG1 3.5Å; A13-I17 PolarHBondContact O-N 2.89Å; A14-I17 PolarHBondContact O-N 3.47Å; I17-E19 PolarHBondContact O-N 2.92Å; I17-E20 PolarHBondContact O-N 2.86Å; I17-E21 WeakPolarHBondContact O-CB 3.18Å; I17-E21 PolarHBondContact O-N 3.45Å |
| 18 | T | 89.6 | Confident | 86.6 | Confident | 50 Ų | 50 | 103 Ų | 103 | 31% | 0.307 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.8 | -34.9 | 176.8 | 66.3 | 0 | 0 | 0 | 0 | 112.7 | A14 V15 V16 E21 R22 | A14-T18 WeakPolarHBondContact O-CG2 3.3Å; A14-T18 PolarHBondContact O-N 3.39Å; A14-T18 PolarHBondContact O-OG1 3.44Å; V15-T18 WeakPolarHBondContact CA-OG1 3.36Å; V15-T18 PolarHBondContact O-N 3.48Å; V15-T18 PolarHBondContact O-OG1 3.28Å; V16-T18 VanDerWaalsContact C-N 3.28Å; V16-T18 PolarHBondContact O-N 3.1Å; T18-E21 PolarHBondContact O-N 2.87Å; T18-R22 WeakPolarHBondContact O-CB 3.41Å; T18-R22 WeakPolarHBondContact O-CG 3.41Å; T18-R22 PolarHBondContact O-N 3.36Å |
| 19 | E | 92.3 | Very high | 87.8 | Confident | 82 Ų | 82 | 100.9 Ų | 100.9 | 38% | 0.383 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73 | -38.2 | 179.2 | -167.5 | 56.6 | -147.3 | 0 | 0 | 111.3 | V15 V16 I17 R22 R23 | V15-E19 WeakPolarHBondContact O-CB 3.43Å; V15-E19 PolarHBondContact O-N 2.97Å; V16-E19 PolarHBondContact O-N 3.46Å; V16-E19 VanDerWaalsContact O-N 3.1Å; I17-E19 PolarHBondContact O-N 2.92Å; E19-R22 PolarHBondContact O-N 2.87Å; E19-R22 WeakPolarHBondContact OE2-CD 3.38Å; E19-R22 IonicContact OE2-CZ 3.76Å; E19-R22 IonicContact OE2-NH1 2.85Å; E19-R22 PolarHBondContact OE2-NH1 2.87Å; E19-R23 WeakPolarHBondContact O-CB 3.48Å; E19-R23 PolarHBondContact O-N 3.41Å |
| 20 | E | 92.3 | Very high | 88.9 | Confident | 94 Ų | 94 | 104.3 Ų | 104.3 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 170.5 | -70.6 | -172.1 | 179.3 | 0 | 0 | 111.9 | V16 I17 R23 R24 | V16-E20 PolarHBondContact O-N 2.7Å; I17-E20 PolarHBondContact O-N 2.86Å; E20-R23 PolarHBondContact O-N 2.85Å; E20-R24 WeakPolarHBondContact O-CG 3.28Å; E20-R24 PolarHBondContact O-N 2.85Å; E20-R24 IonicContact OE2-CZ 3.65Å; E20-R24 IonicContact OE2-NH1 3.68Å; E20-R24 IonicContact OE2-NH2 2.78Å; E20-R24 PolarHBondContact OE2-NH2 2.87Å |
| 21 | E | 94 | Very high | 90 | Very high | 106 Ų | 106 | 110.9 Ų | 110.9 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 176 | -171 | 176.3 | -176.2 | 0 | 0 | 111.7 | I17 T18 R23 R24 N25 | I17-E21 WeakPolarHBondContact O-CB 3.18Å; I17-E21 PolarHBondContact O-N 3.45Å; T18-E21 PolarHBondContact O-N 2.87Å; E21-R23 VanDerWaalsContact C-N 3.33Å; E21-R23 PolarHBondContact O-N 3.29Å; E21-R24 PolarHBondContact O-N 3.4Å; E21-N25 WeakPolarHBondContact O-CB 3.37Å; E21-N25 VanDerWaalsContact O-CG 3.23Å; E21-N25 PolarHBondContact O-N 3.41Å; E21-N25 PolarHBondContact O-ND2 3.32Å |
| 22 | R | 93.8 | Very high | 90.9 | Very high | 124 Ų | 124 | 106.3 Ų | 106.3 | 47% | 0.468 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 172.4 | -73.9 | 170.3 | -162.3 | 168.3 | 1.1 | 111.7 | T18 E19 N25 R26 | T18-R22 WeakPolarHBondContact O-CB 3.41Å; T18-R22 WeakPolarHBondContact O-CG 3.41Å; T18-R22 PolarHBondContact O-N 3.36Å; E19-R22 PolarHBondContact O-N 2.87Å; E19-R22 WeakPolarHBondContact OE2-CD 3.38Å; E19-R22 IonicContact OE2-CZ 3.76Å; E19-R22 IonicContact OE2-NH1 2.85Å; E19-R22 PolarHBondContact OE2-NH1 2.87Å; R22-N25 PolarHBondContact O-N 3.24Å; R22-R26 VanDerWaalsContact O-CG 3.28Å; R22-R26 WeakPolarHBondContact O-CG 3.34Å; R22-R26 PolarHBondContact O-N 3.38Å |
| 23 | R | 95.1 | Very high | 91.8 | Very high | 164 Ų | 164 | 100.9 Ų | 100.9 | 62% | 0.619 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | 177.5 | -174.7 | 179.7 | 179.8 | -165.3 | -1.4 | 111.3 | E19 E20 E21 R26 M27 | E19-R23 WeakPolarHBondContact O-CB 3.48Å; E19-R23 PolarHBondContact O-N 3.41Å; E20-R23 PolarHBondContact O-N 2.85Å; E21-R23 VanDerWaalsContact C-N 3.33Å; E21-R23 PolarHBondContact O-N 3.29Å; R23-R26 PolarHBondContact O-N 3.41Å; R23-M27 HydrophobicContact CG-CE 3.93Å; R23-M27 WeakPolarHBondContact O-CG 3.45Å; R23-M27 PolarHBondContact O-N 2.94Å |
| 24 | R | 94.5 | Very high | 92.9 | Very high | 137 Ų | 137 | 100.2 Ų | 100.2 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 174.1 | -70.5 | 179.6 | -164.3 | 104.8 | 6.4 | 110.8 | E20 E21 R26 M27 T28 | E20-R24 WeakPolarHBondContact O-CG 3.28Å; E20-R24 PolarHBondContact O-N 2.85Å; E20-R24 IonicContact OE2-CZ 3.65Å; E20-R24 IonicContact OE2-NH1 3.68Å; E20-R24 IonicContact OE2-NH2 2.78Å; E20-R24 PolarHBondContact OE2-NH2 2.87Å; E21-R24 PolarHBondContact O-N 3.4Å; R24-R26 VanDerWaalsContact C-N 3.34Å; R24-R26 PolarHBondContact O-N 3.29Å; R24-M27 PolarHBondContact O-N 3.17Å; R24-T28 WeakPolarHBondContact O-CG2 3.49Å; R24-T28 PolarHBondContact O-N 2.78Å; R24-T28 PolarHBondContact O-OG1 2.96Å |
| 25 | N | 95.8 | Very high | 93.8 | Very high | 90 Ų | 90 | 106.1 Ų | 106.1 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 178 | -71.4 | -17.3 | 0 | 0 | 0 | 112.8 | E21 R22 T28 S29 | E21-N25 WeakPolarHBondContact O-CB 3.37Å; E21-N25 VanDerWaalsContact O-CG 3.23Å; E21-N25 PolarHBondContact O-N 3.41Å; E21-N25 PolarHBondContact O-ND2 3.32Å; R22-N25 PolarHBondContact O-N 3.24Å; N25-T28 WeakPolarHBondContact CA-OG1 3.31Å; N25-T28 PolarHBondContact O-OG1 2.8Å; N25-S29 WeakPolarHBondContact O-CB 3.45Å; N25-S29 PolarHBondContact O-N 2.98Å |
| 26 | R | 95.1 | Very high | 94.4 | Very high | 165 Ų | 165 | 109.4 Ų | 109.4 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.9 | -40.9 | 173.5 | -72.7 | 176.3 | -162 | -169.5 | 9.9 | 111.9 | R22 R23 R24 N30 | R22-R26 VanDerWaalsContact O-CG 3.28Å; R22-R26 WeakPolarHBondContact O-CG 3.34Å; R22-R26 PolarHBondContact O-N 3.38Å; R23-R26 PolarHBondContact O-N 3.41Å; R24-R26 VanDerWaalsContact C-N 3.34Å; R24-R26 PolarHBondContact O-N 3.29Å; R26-N30 WeakPolarHBondContact O-CB 3.16Å; R26-N30 PolarHBondContact O-N 3.38Å |
| 27 | M | 96.8 | Very high | 95.2 | Very high | 109 Ų | 109 | 107.9 Ų | 107.9 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 177.2 | -72.9 | 176.4 | 177.7 | 0 | 0 | 111.9 | R23 R24 R31 | R23-M27 HydrophobicContact CG-CE 3.93Å; R23-M27 WeakPolarHBondContact O-CG 3.45Å; R23-M27 PolarHBondContact O-N 2.94Å; R24-M27 PolarHBondContact O-N 3.17Å; M27-R31 VanDerWaalsContact O-CB 3.23Å; M27-R31 WeakPolarHBondContact O-CB 3.39Å; M27-R31 PolarHBondContact O-N 2.95Å |
| 28 | T | 96.3 | Very high | 96 | Very high | 78 Ų | 78 | 112 Ų | 112 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 176.9 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | R24 N25 R31 L32 | R24-T28 WeakPolarHBondContact O-CG2 3.49Å; R24-T28 PolarHBondContact O-N 2.78Å; R24-T28 PolarHBondContact O-OG1 2.96Å; N25-T28 WeakPolarHBondContact CA-OG1 3.31Å; N25-T28 PolarHBondContact O-OG1 2.8Å; T28-R31 PolarHBondContact O-N 2.83Å; T28-L32 WeakPolarHBondContact O-CB 3.23Å; T28-L32 VanDerWaalsContact O-CG 3.31Å; T28-L32 WeakPolarHBondContact O-CG 3.19Å; T28-L32 PolarHBondContact O-N 2.98Å |
| 29 | S | 97.3 | Very high | 96.4 | Very high | 66 Ų | 66 | 114 Ų | 114 | 46% | 0.462 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 112.7 | N25 L32 S33 | N25-S29 WeakPolarHBondContact O-CB 3.45Å; N25-S29 PolarHBondContact O-N 2.98Å; S29-L32 PolarHBondContact O-N 2.85Å; S29-S33 VanDerWaalsContact O-CB 3.3Å; S29-S33 WeakPolarHBondContact O-CB 3.33Å; S29-S33 PolarHBondContact O-N 3.36Å; S29-S33 PolarHBondContact O-OG 3.38Å |
| 30 | N | 98.2 | Very high | 96.7 | Very high | 115 Ų | 115 | 117.9 Ų | 117.9 | 62% | 0.615 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65 | -41.6 | 176.4 | -175 | -85.5 | 0 | 0 | 0 | 111.2 | R26 L32 S33 A34 | R26-N30 WeakPolarHBondContact O-CB 3.16Å; R26-N30 PolarHBondContact O-N 3.38Å; N30-L32 PolarHBondContact O-N 2.94Å; N30-S33 PolarHBondContact O-N 3.4Å; N30-A34 VanDerWaalsContact O-CB 3.31Å; N30-A34 WeakPolarHBondContact O-CB 3.3Å; N30-A34 PolarHBondContact O-N 2.85Å |
| 31 | R | 98 | Very high | 97 | Very high | 201 Ų | 201 | 122 Ų | 122 | 76% | 0.758 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.8 | -47.3 | 174.8 | -178.2 | 178.3 | -179.6 | 175.2 | 0.7 | 111.5 | M27 T28 R35 | M27-R31 VanDerWaalsContact O-CB 3.23Å; M27-R31 WeakPolarHBondContact O-CB 3.39Å; M27-R31 PolarHBondContact O-N 2.95Å; T28-R31 PolarHBondContact O-N 2.83Å; R31-R35 WeakPolarHBondContact O-CB 3.35Å; R31-R35 PolarHBondContact O-N 3.32Å |
| 32 | L | 97.6 | Very high | 97.2 | Very high | 97 Ų | 97 | 121.6 Ų | 121.6 | 51% | 0.508 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 176.8 | -71.7 | 170.8 | 0 | 0 | 0 | 111.4 | T28 S29 N30 R35 K36 | T28-L32 WeakPolarHBondContact O-CB 3.23Å; T28-L32 VanDerWaalsContact O-CG 3.31Å; T28-L32 WeakPolarHBondContact O-CG 3.19Å; T28-L32 PolarHBondContact O-N 2.98Å; S29-L32 PolarHBondContact O-N 2.85Å; N30-L32 PolarHBondContact O-N 2.94Å; L32-R35 PolarHBondContact O-N 2.87Å; L32-K36 WeakPolarHBondContact O-CB 3.31Å; L32-K36 WeakPolarHBondContact O-CG 3.36Å; L32-K36 PolarHBondContact O-N 3.41Å |
| 33 | S | 97.8 | Very high | 97.5 | Very high | 63 Ų | 63 | 123.5 Ų | 123.5 | 44% | 0.441 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.2 | -41.8 | 179.9 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | S29 N30 K36 S37 | S29-S33 VanDerWaalsContact O-CB 3.3Å; S29-S33 WeakPolarHBondContact O-CB 3.33Å; S29-S33 PolarHBondContact O-N 3.36Å; S29-S33 PolarHBondContact O-OG 3.38Å; N30-S33 PolarHBondContact O-N 3.4Å; S33-K36 PolarHBondContact O-N 3.02Å; S33-S37 WeakPolarHBondContact O-CB 3.46Å; S33-S37 PolarHBondContact O-N 2.78Å |
| 34 | A | 98.2 | Very high | 97.6 | Very high | 38 Ų | 38 | 121 Ų | 121 | 31% | 0.314 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N30 S37 R38 | N30-A34 VanDerWaalsContact O-CB 3.31Å; N30-A34 WeakPolarHBondContact O-CB 3.3Å; N30-A34 PolarHBondContact O-N 2.85Å; A34-S37 PolarHBondContact O-N 3.22Å; A34-R38 WeakPolarHBondContact O-CG 3.44Å; A34-R38 PolarHBondContact O-N 3.1Å |
| 35 | R | 98.3 | Very high | 97.8 | Very high | 175 Ų | 175 | 118.4 Ų | 118.4 | 66% | 0.66 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.7 | -48.9 | 173.1 | 179.7 | -179.2 | 164.6 | -165.6 | -4 | 111.3 | R31 L32 S37 R38 M39 | R31-R35 WeakPolarHBondContact O-CB 3.35Å; R31-R35 PolarHBondContact O-N 3.32Å; L32-R35 PolarHBondContact O-N 2.87Å; R35-S37 VanDerWaalsContact C-N 3.31Å; R35-S37 PolarHBondContact O-N 3.46Å; R35-R38 PolarHBondContact O-N 2.88Å; R35-M39 HydrophobicContact CG-CG 4.47Å; R35-M39 WeakPolarHBondContact O-CG 3.42Å; R35-M39 PolarHBondContact O-N 3.28Å |
| 36 | K | 98.4 | Very high | 98 | Very high | 155 Ų | 155 | 118 Ų | 118 | 67% | 0.674 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.5 | -42.1 | 177.1 | -76.3 | 178.6 | 179.5 | -176.1 | 0 | 111.8 | L32 S33 M39 K40 | L32-K36 WeakPolarHBondContact O-CB 3.31Å; L32-K36 WeakPolarHBondContact O-CG 3.36Å; L32-K36 PolarHBondContact O-N 3.41Å; S33-K36 PolarHBondContact O-N 3.02Å; K36-M39 PolarHBondContact O-N 3.42Å; K36-K40 WeakPolarHBondContact O-CB 3.34Å; K36-K40 PolarHBondContact O-N 2.91Å |
| 37 | S | 98.6 | Very high | 98.1 | Very high | 52 Ų | 52 | 115.2 Ų | 115.2 | 36% | 0.364 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 177 | -176.3 | 0 | 0 | 0 | 0 | 112 | S33 A34 R35 M39 K40 R41 | S33-S37 WeakPolarHBondContact O-CB 3.46Å; S33-S37 PolarHBondContact O-N 2.78Å; A34-S37 PolarHBondContact O-N 3.22Å; R35-S37 VanDerWaalsContact C-N 3.31Å; R35-S37 PolarHBondContact O-N 3.46Å; S37-M39 PolarHBondContact O-N 3.49Å; S37-K40 PolarHBondContact O-N 3.3Å; S37-R41 WeakPolarHBondContact O-CG 3.33Å; S37-R41 PolarHBondContact O-N 3.25Å |
| 38 | R | 98.5 | Very high | 98.2 | Very high | 191 Ų | 191 | 114 Ų | 114 | 72% | 0.721 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.9 | -46.8 | 174.2 | -71.4 | 175.7 | -172.8 | -175.9 | 1.2 | 111.6 | A34 R35 K40 R41 Q42 | A34-R38 WeakPolarHBondContact O-CG 3.44Å; A34-R38 PolarHBondContact O-N 3.1Å; R35-R38 PolarHBondContact O-N 2.88Å; R38-K40 PolarHBondContact O-N 2.93Å; R38-R41 PolarHBondContact O-N 3.46Å; R38-Q42 WeakPolarHBondContact O-CB 3.42Å; R38-Q42 PolarHBondContact O-N 3.32Å |
| 39 | M | 98.4 | Very high | 98.3 | Very high | 91 Ų | 91 | 113.2 Ų | 113.2 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 177.3 | -69.1 | -53.6 | -55.6 | 0 | 0 | 112.7 | R35 K36 S37 Q42 R43 | R35-M39 HydrophobicContact CG-CG 4.47Å; R35-M39 WeakPolarHBondContact O-CG 3.42Å; R35-M39 PolarHBondContact O-N 3.28Å; K36-M39 PolarHBondContact O-N 3.42Å; S37-M39 PolarHBondContact O-N 3.49Å; M39-Q42 PolarHBondContact O-N 2.82Å; M39-R43 WeakPolarHBondContact O-CG 3.49Å; M39-R43 PolarHBondContact O-N 2.97Å |
| 40 | K | 98.5 | Very high | 98.4 | Very high | 164 Ų | 164 | 113 Ų | 113 | 71% | 0.713 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 176.1 | -175.8 | 179.2 | -179.9 | -178.4 | 0 | 111.4 | K36 S37 R38 H44 | K36-K40 WeakPolarHBondContact O-CB 3.34Å; K36-K40 PolarHBondContact O-N 2.91Å; S37-K40 PolarHBondContact O-N 3.3Å; R38-K40 PolarHBondContact O-N 2.93Å; K40-H44 PolarHBondContact O-N 2.98Å; K40-H44 VanDerWaalsContact O-N 3.1Å |
| 41 | R | 98.5 | Very high | 98.4 | Very high | 181 Ų | 181 | 112.1 Ų | 112.1 | 68% | 0.683 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 175.2 | -71.3 | -178.9 | -174 | 171.9 | 0.2 | 111.6 | S37 R38 H44 V45 | S37-R41 WeakPolarHBondContact O-CG 3.33Å; S37-R41 PolarHBondContact O-N 3.25Å; R38-R41 PolarHBondContact O-N 3.46Å; R41-H44 PolarHBondContact O-N 2.88Å; R41-V45 WeakPolarHBondContact O-CG2 3.48Å; R41-V45 PolarHBondContact O-N 3Å |
| 42 | Q | 98.3 | Very high | 98.5 | Very high | 98 Ų | 98 | 105.3 Ų | 105.3 | 46% | 0.458 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.2 | -49.6 | 177.8 | -171.8 | 60.4 | 51.5 | 0 | 0 | 111.1 | R38 M39 H44 V45 D46 | R38-Q42 WeakPolarHBondContact O-CB 3.42Å; R38-Q42 PolarHBondContact O-N 3.32Å; M39-Q42 PolarHBondContact O-N 2.82Å; Q42-H44 VanDerWaalsContact C-N 3.31Å; Q42-H44 PolarHBondContact O-N 3.3Å; Q42-V45 PolarHBondContact O-N 3.19Å; Q42-V45 VanDerWaalsContact O-N 3.09Å; Q42-D46 PolarHBondContact NE2-OD1 3.01Å; Q42-D46 PolarHBondContact O-N 3.41Å |
| 43 | R | 98.4 | Very high | 98.5 | Very high | 163 Ų | 163 | 104.3 Ų | 104.3 | 62% | 0.615 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -55.1 | -45.8 | 175.6 | -72.6 | 173.1 | -176.5 | -177.2 | -2.4 | 112.3 | M39 V45 D46 D47 | M39-R43 WeakPolarHBondContact O-CG 3.49Å; M39-R43 PolarHBondContact O-N 2.97Å; R43-V45 VanDerWaalsContact C-N 3.33Å; R43-V45 PolarHBondContact O-N 2.88Å; R43-D46 PolarHBondContact O-N 3.09Å; R43-D47 WeakPolarHBondContact O-CB 3.43Å; R43-D47 PolarHBondContact O-N 3.41Å |
| 44 | H | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 106.5 Ų | 106.5 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 178.4 | -178.8 | 52.7 | 0 | 0 | 0 | 112.9 | K40 R41 Q42 L48 | K40-H44 PolarHBondContact O-N 2.98Å; K40-H44 VanDerWaalsContact O-N 3.1Å; R41-H44 PolarHBondContact O-N 2.88Å; Q42-H44 VanDerWaalsContact C-N 3.31Å; Q42-H44 PolarHBondContact O-N 3.3Å; H44-L48 WeakPolarHBondContact O-CB 3.32Å; H44-L48 VanDerWaalsContact O-CG 3.32Å; H44-L48 WeakPolarHBondContact O-CG 3.47Å; H44-L48 PolarHBondContact O-N 3.33Å |
| 45 | V | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 108 Ų | 108 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 174.4 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | R41 Q42 R43 L48 A49 | R41-V45 WeakPolarHBondContact O-CG2 3.48Å; R41-V45 PolarHBondContact O-N 3Å; Q42-V45 PolarHBondContact O-N 3.19Å; Q42-V45 VanDerWaalsContact O-N 3.09Å; R43-V45 VanDerWaalsContact C-N 3.33Å; R43-V45 PolarHBondContact O-N 2.88Å; V45-L48 PolarHBondContact O-N 2.94Å; V45-A49 WeakPolarHBondContact O-CB 3.41Å; V45-A49 PolarHBondContact O-N 2.96Å |
| 46 | D | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 107 Ų | 107 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 177.8 | -58.2 | -24.6 | 0 | 0 | 0 | 111.2 | Q42 R43 A49 A50 | Q42-D46 PolarHBondContact NE2-OD1 3.01Å; Q42-D46 PolarHBondContact O-N 3.41Å; R43-D46 PolarHBondContact O-N 3.09Å; D46-A49 PolarHBondContact O-N 2.8Å; D46-A50 PolarHBondContact O-N 3.41Å |
| 47 | D | 98.7 | Very high | 98.6 | Very high | 106 Ų | 106 | 106.5 Ų | 106.5 | 57% | 0.567 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -46 | 176.9 | -64.8 | -26.4 | 0 | 0 | 0 | 111.1 | R43 A49 A50 E51 | R43-D47 WeakPolarHBondContact O-CB 3.43Å; R43-D47 PolarHBondContact O-N 3.41Å; D47-A49 VanDerWaalsContact C-N 3.34Å; D47-A49 PolarHBondContact O-N 2.92Å; D47-A50 PolarHBondContact O-N 3.3Å; D47-E51 PolarHBondContact O-N 3.47Å |
| 48 | L | 98.8 | Very high | 98.6 | Very high | 84 Ų | 84 | 107.7 Ų | 107.7 | 44% | 0.44 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 176.3 | -75 | 176.1 | 0 | 0 | 0 | 112.2 | H44 V45 E51 A52 | H44-L48 WeakPolarHBondContact O-CB 3.32Å; H44-L48 VanDerWaalsContact O-CG 3.32Å; H44-L48 WeakPolarHBondContact O-CG 3.47Å; H44-L48 PolarHBondContact O-N 3.33Å; V45-L48 PolarHBondContact O-N 2.94Å; L48-E51 PolarHBondContact O-N 2.63Å; L48-A52 WeakPolarHBondContact O-CB 3.4Å; L48-A52 PolarHBondContact O-N 3.44Å |
| 49 | A | 98.7 | Very high | 98.6 | Very high | 60 Ų | 60 | 102.3 Ų | 102.3 | 50% | 0.496 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | V45 D46 D47 A52 E53 | V45-A49 WeakPolarHBondContact O-CB 3.41Å; V45-A49 PolarHBondContact O-N 2.96Å; D46-A49 PolarHBondContact O-N 2.8Å; D47-A49 VanDerWaalsContact C-N 3.34Å; D47-A49 PolarHBondContact O-N 2.92Å; A49-A52 PolarHBondContact O-N 2.89Å; A49-E53 WeakPolarHBondContact O-CB 3.48Å; A49-E53 PolarHBondContact O-N 3.22Å |
| 50 | A | 98.7 | Very high | 98.6 | Very high | 63 Ų | 63 | 102.3 Ų | 102.3 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | D46 D47 E53 R54 | D46-A50 PolarHBondContact O-N 3.41Å; D47-A50 PolarHBondContact O-N 3.3Å; A50-E53 PolarHBondContact O-N 2.97Å; A50-R54 PolarHBondContact O-N 3.49Å |
| 51 | E | 98.7 | Very high | 98.6 | Very high | 95 Ų | 95 | 97.6 Ų | 97.6 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 176.2 | -176.8 | 169.7 | -161.7 | 0 | 0 | 112.3 | D47 L48 E53 R54 L55 | D47-E51 PolarHBondContact O-N 3.47Å; L48-E51 PolarHBondContact O-N 2.63Å; E51-E53 VanDerWaalsContact C-N 3.29Å; E51-E53 PolarHBondContact O-N 2.9Å; E51-R54 WeakPolarHBondContact O-CB 3.42Å; E51-R54 PolarHBondContact O-N 3.07Å; E51-L55 HydrophobicContact CG-CD1 4.12Å; E51-L55 HydrophobicContact CG-CG 4.45Å; E51-L55 WeakPolarHBondContact O-CG 3.4Å; E51-L55 PolarHBondContact O-N 3.49Å |
| 52 | A | 98.7 | Very high | 98.6 | Very high | 59 Ų | 59 | 94.3 Ų | 94.3 | 49% | 0.488 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L48 A49 L55 R56 | L48-A52 WeakPolarHBondContact O-CB 3.4Å; L48-A52 PolarHBondContact O-N 3.44Å; A49-A52 PolarHBondContact O-N 2.89Å; A52-L55 PolarHBondContact O-N 2.9Å; A52-R56 WeakPolarHBondContact O-CB 3.36Å; A52-R56 PolarHBondContact O-N 3.47Å |
| 53 | E | 98.7 | Very high | 98.6 | Very high | 75 Ų | 75 | 98.6 Ų | 98.6 | 35% | 0.35 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 177.3 | 179.9 | 60.2 | -166.7 | 0 | 0 | 112.2 | A49 A50 E51 R56 R57 | A49-E53 WeakPolarHBondContact O-CB 3.48Å; A49-E53 PolarHBondContact O-N 3.22Å; A50-E53 PolarHBondContact O-N 2.97Å; E51-E53 VanDerWaalsContact C-N 3.29Å; E51-E53 PolarHBondContact O-N 2.9Å; E53-R56 PolarHBondContact O-N 3.39Å; E53-R57 WeakPolarHBondContact O-CG 3.49Å; E53-R57 PolarHBondContact O-N 3.32Å; E53-R57 VanDerWaalsContact O-N 3.11Å; E53-R57 IonicContact OE1-CZ 2.89Å; E53-R57 IonicContact OE1-NE 3.8Å; E53-R57 PolarHBondContact OE1-NE 2.75Å; E53-R57 VanDerWaalsContact OE1-NE 3.08Å; E53-R57 IonicContact OE1-NH2 3.62Å; E53-R57 PolarHBondContact OE1-NH2 2.89Å |
| 54 | R | 98.7 | Very high | 98.5 | Very high | 110 Ų | 110 | 93.5 Ų | 93.5 | 42% | 0.415 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59 | -51.3 | 171.6 | -177.5 | -170.6 | 67.3 | 88.1 | 1.3 | 111.1 | A50 E51 R56 R57 E58 | A50-R54 PolarHBondContact O-N 3.49Å; E51-R54 WeakPolarHBondContact O-CB 3.42Å; E51-R54 PolarHBondContact O-N 3.07Å; R54-R56 VanDerWaalsContact C-N 3.27Å; R54-R56 PolarHBondContact O-N 3.41Å; R54-R57 PolarHBondContact O-N 3.48Å; R54-E58 WeakPolarHBondContact CG-OE1 3.39Å; R54-E58 IonicContact CZ-OE1 3.08Å; R54-E58 IonicContact CZ-OE2 2.63Å; R54-E58 IonicContact NE-OE1 2.75Å; R54-E58 IonicContact NH1-OE1 3.16Å; R54-E58 PolarHBondContact NH1-OE1 3.11Å; R54-E58 IonicContact NH1-OE2 3.99Å; R54-E58 PolarHBondContact NH1-OE2 3.37Å; R54-E58 WeakPolarHBondContact O-CG 3.44Å; R54-E58 PolarHBondContact O-N 3.41Å |
| 55 | L | 98.7 | Very high | 98.5 | Very high | 69 Ų | 69 | 90 Ų | 90 | 36% | 0.361 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -34.9 | 179.5 | -72.3 | 173.4 | 0 | 0 | 0 | 112.1 | E51 A52 E58 N59 | E51-L55 HydrophobicContact CG-CD1 4.12Å; E51-L55 HydrophobicContact CG-CG 4.45Å; E51-L55 WeakPolarHBondContact O-CG 3.4Å; E51-L55 PolarHBondContact O-N 3.49Å; A52-L55 PolarHBondContact O-N 2.9Å; L55-E58 PolarHBondContact O-N 3.46Å; L55-N59 WeakPolarHBondContact O-CB 3.37Å; L55-N59 PolarHBondContact O-N 3.37Å; L55-N59 PolarHBondContact O-ND2 3.24Å |
| 56 | R | 98.8 | Very high | 98.5 | Very high | 154 Ų | 154 | 90.5 Ų | 90.5 | 58% | 0.581 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.2 | -49.8 | 174.4 | -176.9 | -177.5 | 177.6 | 141.3 | 1.1 | 111.3 | A52 E53 R54 E58 N59 E60 | A52-R56 WeakPolarHBondContact O-CB 3.36Å; A52-R56 PolarHBondContact O-N 3.47Å; E53-R56 PolarHBondContact O-N 3.39Å; R54-R56 VanDerWaalsContact C-N 3.27Å; R54-R56 PolarHBondContact O-N 3.41Å; R56-E58 VanDerWaalsContact C-N 3.34Å; R56-E58 PolarHBondContact O-N 3.49Å; R56-N59 PolarHBondContact O-N 2.85Å; R56-E60 WeakPolarHBondContact CG-OE1 3.35Å; R56-E60 IonicContact CZ-OE1 3.75Å; R56-E60 IonicContact NE-OE1 2.93Å; R56-E60 PolarHBondContact NE-OE1 2.98Å; R56-E60 IonicContact NH2-OE1 3.66Å; R56-E60 WeakPolarHBondContact O-CG 3.42Å; R56-E60 PolarHBondContact O-N 2.93Å |
| 57 | R | 98.6 | Very high | 98.4 | Very high | 145 Ų | 145 | 88.2 Ų | 88.2 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 177.8 | -67.4 | 178.8 | -165.6 | 133 | 1.3 | 112.2 | E53 R54 E60 A61 | E53-R57 WeakPolarHBondContact O-CG 3.49Å; E53-R57 PolarHBondContact O-N 3.32Å; E53-R57 VanDerWaalsContact O-N 3.11Å; E53-R57 IonicContact OE1-CZ 2.89Å; E53-R57 IonicContact OE1-NE 3.8Å; E53-R57 PolarHBondContact OE1-NE 2.75Å; E53-R57 VanDerWaalsContact OE1-NE 3.08Å; E53-R57 IonicContact OE1-NH2 3.62Å; E53-R57 PolarHBondContact OE1-NH2 2.89Å; R54-R57 PolarHBondContact O-N 3.48Å; R57-E60 PolarHBondContact O-N 3.08Å; R57-A61 WeakPolarHBondContact O-CB 3.26Å; R57-A61 PolarHBondContact O-N 3.36Å |
| 58 | E | 98.6 | Very high | 98.4 | Very high | 76 Ų | 76 | 87.7 Ų | 87.7 | 36% | 0.355 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 175.6 | -74.5 | 172.8 | -168 | 0 | 0 | 111.7 | R54 L55 R56 A61 M62 | R54-E58 WeakPolarHBondContact CG-OE1 3.39Å; R54-E58 IonicContact CZ-OE1 3.08Å; R54-E58 IonicContact CZ-OE2 2.63Å; R54-E58 IonicContact NE-OE1 2.75Å; R54-E58 IonicContact NH1-OE1 3.16Å; R54-E58 PolarHBondContact NH1-OE1 3.11Å; R54-E58 IonicContact NH1-OE2 3.99Å; R54-E58 PolarHBondContact NH1-OE2 3.37Å; R54-E58 WeakPolarHBondContact O-CG 3.44Å; R54-E58 PolarHBondContact O-N 3.41Å; L55-E58 PolarHBondContact O-N 3.46Å; R56-E58 VanDerWaalsContact C-N 3.34Å; R56-E58 PolarHBondContact O-N 3.49Å; E58-A61 PolarHBondContact O-N 2.99Å; E58-M62 HydrophobicContact CB-CE 4.35Å; E58-M62 WeakPolarHBondContact O-CB 3.45Å; E58-M62 WeakPolarHBondContact O-CE 3.33Å; E58-M62 WeakPolarHBondContact O-CG 3.43Å; E58-M62 PolarHBondContact O-N 3.22Å |
| 59 | N | 98.5 | Very high | 98.3 | Very high | 78 Ų | 78 | 85.9 Ų | 85.9 | 42% | 0.417 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 175.3 | -83.3 | -62.8 | 0 | 0 | 0 | 112.8 | L55 R56 M62 R63 | L55-N59 WeakPolarHBondContact O-CB 3.37Å; L55-N59 PolarHBondContact O-N 3.37Å; L55-N59 PolarHBondContact O-ND2 3.24Å; R56-N59 PolarHBondContact O-N 2.85Å; N59-M62 PolarHBondContact O-N 3.02Å; N59-R63 WeakPolarHBondContact O-CB 3.43Å; N59-R63 VanDerWaalsContact O-CG 3.26Å; N59-R63 WeakPolarHBondContact O-CG 3.41Å; N59-R63 PolarHBondContact O-N 2.91Å |
| 60 | E | 98.4 | Very high | 98.2 | Very high | 92 Ų | 92 | 86 Ų | 86 | 43% | 0.43 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176 | -72.8 | 170.4 | -174.1 | 0 | 0 | 111 | R56 R57 R63 A64 | R56-E60 WeakPolarHBondContact CG-OE1 3.35Å; R56-E60 IonicContact CZ-OE1 3.75Å; R56-E60 IonicContact NE-OE1 2.93Å; R56-E60 PolarHBondContact NE-OE1 2.98Å; R56-E60 IonicContact NH2-OE1 3.66Å; R56-E60 WeakPolarHBondContact O-CG 3.42Å; R56-E60 PolarHBondContact O-N 2.93Å; R57-E60 PolarHBondContact O-N 3.08Å; E60-R63 PolarHBondContact O-N 2.88Å; E60-A64 PolarHBondContact O-N 3.26Å |
| 61 | A | 98.3 | Very high | 98.2 | Very high | 65 Ų | 65 | 88.2 Ų | 88.2 | 54% | 0.537 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R57 E58 R63 A64 G65 | R57-A61 WeakPolarHBondContact O-CB 3.26Å; R57-A61 PolarHBondContact O-N 3.36Å; E58-A61 PolarHBondContact O-N 2.99Å; A61-R63 PolarHBondContact O-N 3.49Å; A61-A64 PolarHBondContact O-N 3.47Å; A61-G65 PolarHBondContact O-N 2.92Å |
| 62 | M | 97.9 | Very high | 98.1 | Very high | 111 Ų | 111 | 91.5 Ų | 91.5 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 175.3 | -76.9 | -173.8 | -75.3 | 0 | 0 | 111.8 | E58 N59 A64 G65 V66 | E58-M62 HydrophobicContact CB-CE 4.35Å; E58-M62 WeakPolarHBondContact O-CB 3.45Å; E58-M62 WeakPolarHBondContact O-CE 3.33Å; E58-M62 WeakPolarHBondContact O-CG 3.43Å; E58-M62 PolarHBondContact O-N 3.22Å; N59-M62 PolarHBondContact O-N 3.02Å; M62-A64 PolarHBondContact O-N 3.34Å; M62-G65 PolarHBondContact O-N 2.93Å; M62-V66 WeakPolarHBondContact O-CG2 3.49Å; M62-V66 PolarHBondContact O-N 3.34Å |
| 63 | R | 98.3 | Very high | 98 | Very high | 188 Ų | 188 | 91.4 Ų | 91.4 | 71% | 0.709 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.8 | -42.9 | 176.6 | -77.9 | 173.6 | 175.8 | 172.1 | -0.6 | 112.2 | N59 E60 A61 V66 G67 | N59-R63 WeakPolarHBondContact O-CB 3.43Å; N59-R63 VanDerWaalsContact O-CG 3.26Å; N59-R63 WeakPolarHBondContact O-CG 3.41Å; N59-R63 PolarHBondContact O-N 2.91Å; E60-R63 PolarHBondContact O-N 2.88Å; A61-R63 PolarHBondContact O-N 3.49Å; R63-V66 PolarHBondContact O-N 2.79Å; R63-G67 PolarHBondContact O-N 2.97Å |
| 64 | A | 97.7 | Very high | 97.9 | Very high | 57 Ų | 57 | 95.3 Ų | 95.3 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E60 A61 M62 V66 G67 D68 | E60-A64 PolarHBondContact O-N 3.26Å; A61-A64 PolarHBondContact O-N 3.47Å; M62-A64 PolarHBondContact O-N 3.34Å; A64-V66 VanDerWaalsContact C-N 3.34Å; A64-V66 PolarHBondContact O-N 3.5Å; A64-G67 WeakPolarHBondContact O-CA 3.46Å; A64-G67 PolarHBondContact O-N 2.94Å; A64-G67 VanDerWaalsContact O-N 3.09Å; A64-D68 PolarHBondContact O-N 2.93Å |
| 65 | G | 98.1 | Very high | 97.7 | Very high | 38 Ų | 38 | 92.7 Ų | 92.7 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61 | -38.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A61 M62 A69 | A61-G65 PolarHBondContact O-N 2.92Å; M62-G65 PolarHBondContact O-N 2.93Å; G65-A69 WeakPolarHBondContact O-CB 3.4Å; G65-A69 PolarHBondContact O-N 2.93Å |
| 66 | V | 98 | Very high | 97.5 | Very high | 94 Ų | 94 | 94.7 Ų | 94.7 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.2 | -42.6 | 172.8 | 171 | 0 | 0 | 0 | 0 | 111 | M62 R63 A64 D68 A69 V70 | M62-V66 WeakPolarHBondContact O-CG2 3.49Å; M62-V66 PolarHBondContact O-N 3.34Å; R63-V66 PolarHBondContact O-N 2.79Å; A64-V66 VanDerWaalsContact C-N 3.34Å; A64-V66 PolarHBondContact O-N 3.5Å; V66-D68 PolarHBondContact O-N 3.06Å; V66-A69 PolarHBondContact O-N 3.37Å; V66-V70 HydrophobicContact CG1-CG2 4.4Å; V66-V70 WeakPolarHBondContact O-CG2 3.45Å; V66-V70 PolarHBondContact O-N 3.29Å |
| 67 | G | 97.4 | Very high | 97.2 | Very high | 33 Ų | 33 | 91.4 Ų | 91.4 | 34% | 0.34 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56 | -48.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R63 A64 A69 V70 L71 | R63-G67 PolarHBondContact O-N 2.97Å; A64-G67 WeakPolarHBondContact O-CA 3.46Å; A64-G67 PolarHBondContact O-N 2.94Å; A64-G67 VanDerWaalsContact O-N 3.09Å; G67-A69 VanDerWaalsContact C-N 3.34Å; G67-A69 PolarHBondContact O-N 3.24Å; G67-V70 PolarHBondContact O-N 3.43Å; G67-L71 WeakPolarHBondContact O-CG 3.35Å; G67-L71 PolarHBondContact O-N 3.46Å |
| 68 | D | 97.5 | Very high | 96.8 | Very high | 96 Ų | 96 | 90.8 Ų | 90.8 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 177.7 | -70.2 | -14.7 | 0 | 0 | 0 | 112.7 | A64 V66 R72 | A64-D68 PolarHBondContact O-N 2.93Å; V66-D68 PolarHBondContact O-N 3.06Å; D68-R72 WeakPolarHBondContact O-CG 3.39Å; D68-R72 PolarHBondContact O-N 3.09Å; D68-R72 PolarHBondContact O-NE 3.48Å |
| 69 | A | 97.3 | Very high | 96.4 | Very high | 45 Ų | 45 | 92.6 Ų | 92.6 | 37% | 0.372 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | G65 V66 G67 R72 S73 | G65-A69 WeakPolarHBondContact O-CB 3.4Å; G65-A69 PolarHBondContact O-N 2.93Å; V66-A69 PolarHBondContact O-N 3.37Å; G67-A69 VanDerWaalsContact C-N 3.34Å; G67-A69 PolarHBondContact O-N 3.24Å; A69-R72 PolarHBondContact O-N 2.93Å; A69-S73 WeakPolarHBondContact O-CB 3.38Å; A69-S73 PolarHBondContact O-N 2.93Å |
| 70 | V | 97.6 | Very high | 96.2 | Very high | 63 Ų | 63 | 94 Ų | 94 | 38% | 0.382 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | V66 G67 S73 R74 | V66-V70 HydrophobicContact CG1-CG2 4.4Å; V66-V70 WeakPolarHBondContact O-CG2 3.45Å; V66-V70 PolarHBondContact O-N 3.29Å; G67-V70 PolarHBondContact O-N 3.43Å; V70-S73 PolarHBondContact O-N 3.37Å; V70-R74 WeakPolarHBondContact O-CG 3.33Å; V70-R74 PolarHBondContact O-N 2.94Å |
| 71 | L | 97.2 | Very high | 95.7 | Very high | 109 Ų | 109 | 96.8 Ų | 96.8 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.5 | -45 | 177 | -70.4 | 176.3 | 0 | 0 | 0 | 111.9 | G67 R74 A75 | G67-L71 WeakPolarHBondContact O-CG 3.35Å; G67-L71 PolarHBondContact O-N 3.46Å; L71-R74 PolarHBondContact O-N 3.06Å; L71-A75 PolarHBondContact O-N 3.33Å |
| 72 | R | 97.1 | Very high | 95.3 | Very high | 164 Ų | 164 | 97.1 Ų | 97.1 | 62% | 0.619 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | 175.3 | -73.4 | -177.1 | -69.3 | 169.5 | -2 | 112.4 | D68 A69 R74 A75 L76 | D68-R72 WeakPolarHBondContact O-CG 3.39Å; D68-R72 PolarHBondContact O-N 3.09Å; D68-R72 PolarHBondContact O-NE 3.48Å; A69-R72 PolarHBondContact O-N 2.93Å; R72-R74 VanDerWaalsContact C-N 3.33Å; R72-R74 PolarHBondContact O-N 3.42Å; R72-A75 PolarHBondContact O-N 2.68Å; R72-L76 WeakPolarHBondContact O-CG 3.49Å; R72-L76 PolarHBondContact O-N 3.16Å |
| 73 | S | 96.5 | Very high | 94.9 | Very high | 57 Ų | 57 | 96.7 Ų | 96.7 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 175.6 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | A69 V70 A75 L76 E77 | A69-S73 WeakPolarHBondContact O-CB 3.38Å; A69-S73 PolarHBondContact O-N 2.93Å; V70-S73 PolarHBondContact O-N 3.37Å; S73-A75 PolarHBondContact O-N 2.88Å; S73-L76 PolarHBondContact O-N 3.27Å; S73-E77 WeakPolarHBondContact O-CG 3.41Å; S73-E77 PolarHBondContact O-N 3.41Å |
| 74 | R | 96.3 | Very high | 94.4 | Very high | 158 Ų | 158 | 88.3 Ų | 88.3 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.8 | -41.4 | 177 | -73.5 | 175.8 | -179.8 | -177.5 | 0.5 | 112.6 | V70 L71 R72 E77 Q78 | V70-R74 WeakPolarHBondContact O-CG 3.33Å; V70-R74 PolarHBondContact O-N 2.94Å; L71-R74 PolarHBondContact O-N 3.06Å; R72-R74 VanDerWaalsContact C-N 3.33Å; R72-R74 PolarHBondContact O-N 3.42Å; R74-E77 PolarHBondContact O-N 3.01Å; R74-Q78 PolarHBondContact O-N 2.77Å |
| 75 | A | 94.2 | Very high | 93.9 | Very high | 55 Ų | 55 | 87.7 Ų | 87.7 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L71 R72 S73 E77 Q78 E79 | L71-A75 PolarHBondContact O-N 3.33Å; R72-A75 PolarHBondContact O-N 2.68Å; S73-A75 PolarHBondContact O-N 2.88Å; A75-E77 PolarHBondContact O-N 2.95Å; A75-Q78 WeakPolarHBondContact O-CB 3.36Å; A75-Q78 PolarHBondContact O-N 3.25Å; A75-E79 PolarHBondContact O-N 2.96Å |
| 76 | L | 94.4 | Very high | 93.5 | Very high | 111 Ų | 111 | 90.4 Ų | 90.4 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63 | -40 | 175.9 | -71.3 | 171.7 | 0 | 0 | 0 | 112.4 | R72 S73 Q78 E79 N80 | R72-L76 WeakPolarHBondContact O-CG 3.49Å; R72-L76 PolarHBondContact O-N 3.16Å; S73-L76 PolarHBondContact O-N 3.27Å; L76-Q78 VanDerWaalsContact C-N 3.33Å; L76-Q78 PolarHBondContact O-N 2.85Å; L76-E79 PolarHBondContact O-N 3.45Å; L76-N80 VanDerWaalsContact O-CB 3.27Å; L76-N80 WeakPolarHBondContact O-CB 3.45Å; L76-N80 PolarHBondContact O-N 2.99Å |
| 77 | E | 93.8 | Very high | 93.1 | Very high | 85 Ų | 85 | 87 Ų | 87 | 40% | 0.397 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 174.2 | -76.7 | 174.1 | -151.2 | 0 | 0 | 111.9 | S73 R74 A75 N80 R81 | S73-E77 WeakPolarHBondContact O-CG 3.41Å; S73-E77 PolarHBondContact O-N 3.41Å; R74-E77 PolarHBondContact O-N 3.01Å; A75-E77 PolarHBondContact O-N 2.95Å; E77-N80 PolarHBondContact O-N 3.48Å; E77-R81 VanDerWaalsContact O-CG 3.26Å; E77-R81 WeakPolarHBondContact O-CG 3.27Å; E77-R81 PolarHBondContact O-N 3.25Å; E77-R81 IonicContact OE2-CZ 3.82Å; E77-R81 IonicContact OE2-NH1 3.81Å; E77-R81 IonicContact OE2-NH2 2.98Å; E77-R81 PolarHBondContact OE2-NH2 2.75Å |
| 78 | Q | 90.9 | Very high | 92.8 | Very high | 132 Ų | 132 | 91 Ų | 91 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64 | -46.4 | 176.1 | -175.2 | 178.8 | 15.5 | 0 | 0 | 111.2 | R74 A75 L76 N80 R81 V82 | R74-Q78 PolarHBondContact O-N 2.77Å; A75-Q78 WeakPolarHBondContact O-CB 3.36Å; A75-Q78 PolarHBondContact O-N 3.25Å; L76-Q78 VanDerWaalsContact C-N 3.33Å; L76-Q78 PolarHBondContact O-N 2.85Å; Q78-N80 VanDerWaalsContact C-N 3.35Å; Q78-N80 PolarHBondContact O-N 3.4Å; Q78-R81 WeakPolarHBondContact O-CB 3.47Å; Q78-R81 PolarHBondContact O-N 3.48Å; Q78-V82 WeakPolarHBondContact O-CG2 3.36Å; Q78-V82 PolarHBondContact O-N 3.46Å; Q78-V82 VanDerWaalsContact O-N 3.1Å |
| 79 | E | 90 | Very high | 92.6 | Very high | 114 Ų | 114 | 92.6 Ų | 92.6 | 53% | 0.533 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.6 | -173.9 | 179.4 | -178.1 | 0 | 0 | 111.4 | A75 L76 R81 V82 L83 | A75-E79 PolarHBondContact O-N 2.96Å; L76-E79 PolarHBondContact O-N 3.45Å; E79-R81 VanDerWaalsContact C-N 3.33Å; E79-R81 PolarHBondContact O-N 3.5Å; E79-V82 WeakPolarHBondContact O-CB 3.35Å; E79-V82 PolarHBondContact O-N 3.21Å; E79-V82 VanDerWaalsContact O-N 3.12Å; E79-L83 HydrophobicContact CG-CD1 4.12Å; E79-L83 HydrophobicContact CG-CG 4.43Å; E79-L83 WeakPolarHBondContact O-CG 3.49Å; E79-L83 PolarHBondContact O-N 3.48Å |
| 80 | N | 93.6 | Very high | 92.4 | Very high | 108 Ų | 108 | 96 Ų | 96 | 58% | 0.578 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.3 | -41.6 | 176.6 | -168.1 | -50.8 | 0 | 0 | 0 | 111.6 | L76 E77 Q78 V82 L83 A84 | L76-N80 VanDerWaalsContact O-CB 3.27Å; L76-N80 WeakPolarHBondContact O-CB 3.45Å; L76-N80 PolarHBondContact O-N 2.99Å; E77-N80 PolarHBondContact O-N 3.48Å; Q78-N80 VanDerWaalsContact C-N 3.35Å; Q78-N80 PolarHBondContact O-N 3.4Å; N80-V82 VanDerWaalsContact C-N 3.32Å; N80-V82 PolarHBondContact O-N 2.85Å; N80-L83 PolarHBondContact O-N 3.05Å; N80-A84 WeakPolarHBondContact O-CB 3.22Å; N80-A84 PolarHBondContact O-N 3.33Å |
| 81 | R | 88 | Confident | 92.1 | Very high | 150 Ų | 150 | 93.3 Ų | 93.3 | 57% | 0.566 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59 | -42.9 | 174.4 | -73.4 | 173.6 | -168 | 112 | 7.6 | 111.7 | E77 Q78 E79 A85 | E77-R81 VanDerWaalsContact O-CG 3.26Å; E77-R81 WeakPolarHBondContact O-CG 3.27Å; E77-R81 PolarHBondContact O-N 3.25Å; E77-R81 IonicContact OE2-CZ 3.82Å; E77-R81 IonicContact OE2-NH1 3.81Å; E77-R81 IonicContact OE2-NH2 2.98Å; E77-R81 PolarHBondContact OE2-NH2 2.75Å; Q78-R81 WeakPolarHBondContact O-CB 3.47Å; Q78-R81 PolarHBondContact O-N 3.48Å; E79-R81 VanDerWaalsContact C-N 3.33Å; E79-R81 PolarHBondContact O-N 3.5Å; R81-A85 WeakPolarHBondContact O-CB 3.45Å; R81-A85 PolarHBondContact O-N 2.94Å |
| 82 | V | 89.5 | Confident | 91.8 | Very high | 72 Ų | 72 | 91 Ų | 91 | 44% | 0.436 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -49.8 | 177 | 174.1 | 0 | 0 | 0 | 0 | 111 | Q78 E79 N80 A84 A85 H86 | Q78-V82 WeakPolarHBondContact O-CG2 3.36Å; Q78-V82 PolarHBondContact O-N 3.46Å; Q78-V82 VanDerWaalsContact O-N 3.1Å; E79-V82 WeakPolarHBondContact O-CB 3.35Å; E79-V82 PolarHBondContact O-N 3.21Å; E79-V82 VanDerWaalsContact O-N 3.12Å; N80-V82 VanDerWaalsContact C-N 3.32Å; N80-V82 PolarHBondContact O-N 2.85Å; V82-A84 VanDerWaalsContact C-N 3.32Å; V82-A84 PolarHBondContact O-N 3.4Å; V82-A85 WeakPolarHBondContact O-CB 3.26Å; V82-A85 PolarHBondContact O-N 2.98Å; V82-A85 VanDerWaalsContact O-N 3.11Å; V82-H86 PolarHBondContact O-N 3.3Å |
| 83 | L | 89.5 | Confident | 91.7 | Very high | 101 Ų | 101 | 85.5 Ų | 85.5 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 178.1 | -69.4 | 174.3 | 0 | 0 | 0 | 111.9 | E79 N80 A85 H86 A87 | E79-L83 HydrophobicContact CG-CD1 4.12Å; E79-L83 HydrophobicContact CG-CG 4.43Å; E79-L83 WeakPolarHBondContact O-CG 3.49Å; E79-L83 PolarHBondContact O-N 3.48Å; N80-L83 PolarHBondContact O-N 3.05Å; L83-A85 VanDerWaalsContact C-N 3.35Å; L83-A85 PolarHBondContact O-N 3.33Å; L83-H86 PolarHBondContact O-N 2.94Å; L83-A87 WeakPolarHBondContact O-CB 3.28Å; L83-A87 PolarHBondContact O-N 2.98Å |
| 84 | A | 88.7 | Confident | 91.6 | Very high | 13 Ų | 13 | 87 Ų | 87 | 11% | 0.107 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.4 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N80 V82 A87 R88 | N80-A84 WeakPolarHBondContact O-CB 3.22Å; N80-A84 PolarHBondContact O-N 3.33Å; V82-A84 VanDerWaalsContact C-N 3.32Å; V82-A84 PolarHBondContact O-N 3.4Å; A84-A87 PolarHBondContact O-N 3.1Å; A84-R88 VanDerWaalsContact O-CG 3.23Å; A84-R88 WeakPolarHBondContact O-CG 3.37Å; A84-R88 PolarHBondContact O-N 3.39Å |
| 85 | A | 87.6 | Confident | 91.4 | Very high | 43 Ų | 43 | 82.8 Ų | 82.8 | 36% | 0.355 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63 | -46 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | R81 V82 L83 R88 Q89 | R81-A85 WeakPolarHBondContact O-CB 3.45Å; R81-A85 PolarHBondContact O-N 2.94Å; V82-A85 WeakPolarHBondContact O-CB 3.26Å; V82-A85 PolarHBondContact O-N 2.98Å; V82-A85 VanDerWaalsContact O-N 3.11Å; L83-A85 VanDerWaalsContact C-N 3.35Å; L83-A85 PolarHBondContact O-N 3.33Å; A85-R88 PolarHBondContact O-N 3.21Å; A85-Q89 WeakPolarHBondContact O-CG 3.23Å; A85-Q89 PolarHBondContact O-N 3.39Å |
| 86 | H | 88.7 | Confident | 91.4 | Very high | 96 Ų | 96 | 84.6 Ų | 84.6 | 44% | 0.444 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 175.1 | -66.9 | 169.5 | 0 | 0 | 0 | 112.1 | V82 L83 R88 Q89 L90 | V82-H86 PolarHBondContact O-N 3.3Å; L83-H86 PolarHBondContact O-N 2.94Å; H86-R88 VanDerWaalsContact C-N 3.31Å; H86-R88 PolarHBondContact O-N 2.83Å; H86-Q89 WeakPolarHBondContact O-CB 3.36Å; H86-Q89 PolarHBondContact O-N 2.97Å; H86-Q89 VanDerWaalsContact O-N 3.17Å; H86-L90 WeakPolarHBondContact O-CG 3.48Å; H86-L90 PolarHBondContact O-N 2.79Å |
| 87 | A | 90.5 | Very high | 91.4 | Very high | 23 Ų | 23 | 86.8 Ų | 86.8 | 19% | 0.19 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L83 A84 L90 C91 Y125 | L83-A87 WeakPolarHBondContact O-CB 3.28Å; L83-A87 PolarHBondContact O-N 2.98Å; A84-A87 PolarHBondContact O-N 3.1Å; A87-L90 PolarHBondContact O-N 2.88Å; A87-C91 WeakPolarHBondContact O-CB 3.43Å; A87-C91 PolarHBondContact O-N 3.5Å; A87-Y125 HydrophobicContact CB-CD1 3.45Å; A87-Y125 VanDerWaalsContact CB-CD1 3.45Å; A87-Y125 HydrophobicContact CB-CD2 4.25Å; A87-Y125 HydrophobicContact CB-CE1 3.46Å; A87-Y125 VanDerWaalsContact CB-CE1 3.46Å; A87-Y125 HydrophobicContact CB-CE2 4.26Å; A87-Y125 HydrophobicContact CB-CG 3.86Å |
| 88 | R | 91.3 | Very high | 91.4 | Very high | 116 Ų | 116 | 84.4 Ų | 84.4 | 44% | 0.438 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 172.7 | -70.1 | 177.1 | -170.9 | 110.6 | -0.1 | 112.3 | A84 A85 H86 L90 C91 A92 Y125 | A84-R88 VanDerWaalsContact O-CG 3.23Å; A84-R88 WeakPolarHBondContact O-CG 3.37Å; A84-R88 PolarHBondContact O-N 3.39Å; A85-R88 PolarHBondContact O-N 3.21Å; H86-R88 VanDerWaalsContact C-N 3.31Å; H86-R88 PolarHBondContact O-N 2.83Å; R88-L90 VanDerWaalsContact C-N 3.34Å; R88-L90 PolarHBondContact O-N 3.29Å; R88-C91 PolarHBondContact O-N 2.88Å; R88-A92 WeakPolarHBondContact O-CB 3.5Å; R88-A92 PolarHBondContact O-N 3.35Å; R88-Y125 WeakPolarHBondContact CA-O 3.42Å; R88-Y125 HydrophobicContact CG-CD1 4.4Å; R88-Y125 WeakPolarHBondContact CG-O 3.47Å |
| 89 | Q | 91.8 | Very high | 91.4 | Very high | 130 Ų | 130 | 81.2 Ų | 81.2 | 61% | 0.607 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.9 | -45.2 | 176.4 | -71.9 | 172.9 | -33.2 | 0 | 0 | 111.5 | A85 H86 A92 A93 | A85-Q89 WeakPolarHBondContact O-CG 3.23Å; A85-Q89 PolarHBondContact O-N 3.39Å; H86-Q89 WeakPolarHBondContact O-CB 3.36Å; H86-Q89 PolarHBondContact O-N 2.97Å; H86-Q89 VanDerWaalsContact O-N 3.17Å; Q89-A92 PolarHBondContact O-N 3.43Å; Q89-A93 WeakPolarHBondContact O-CB 3.47Å; Q89-A93 PolarHBondContact O-N 3.43Å |
| 90 | L | 92.9 | Very high | 91.7 | Very high | 116 Ų | 116 | 79.6 Ų | 79.6 | 61% | 0.607 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.8 | -43.4 | 176.9 | -68.6 | 173.7 | 0 | 0 | 0 | 111.8 | H86 A87 R88 A92 A93 L94 | H86-L90 WeakPolarHBondContact O-CG 3.48Å; H86-L90 PolarHBondContact O-N 2.79Å; A87-L90 PolarHBondContact O-N 2.88Å; R88-L90 VanDerWaalsContact C-N 3.34Å; R88-L90 PolarHBondContact O-N 3.29Å; L90-A92 PolarHBondContact O-N 3.34Å; L90-A93 PolarHBondContact O-N 2.85Å; L90-L94 WeakPolarHBondContact O-CB 3.23Å; L90-L94 WeakPolarHBondContact O-CG 3.46Å; L90-L94 PolarHBondContact O-N 3.25Å |
| 91 | C | 92.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 78.2 Ų | 78.2 | 5% | 0.047 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 176.2 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | A87 R88 A93 L94 L95 | A87-C91 WeakPolarHBondContact O-CB 3.43Å; A87-C91 PolarHBondContact O-N 3.5Å; R88-C91 PolarHBondContact O-N 2.88Å; C91-A93 PolarHBondContact O-N 3.12Å; C91-L94 PolarHBondContact O-N 3.1Å; C91-L95 WeakPolarHBondContact O-CG 3.06Å; C91-L95 PolarHBondContact O-N 2.97Å |
| 92 | A | 90.8 | Very high | 91.8 | Very high | 59 Ų | 59 | 73.7 Ų | 73.7 | 49% | 0.488 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R88 Q89 L90 L95 L96 | R88-A92 WeakPolarHBondContact O-CB 3.5Å; R88-A92 PolarHBondContact O-N 3.35Å; Q89-A92 PolarHBondContact O-N 3.43Å; L90-A92 PolarHBondContact O-N 3.34Å; A92-L95 PolarHBondContact O-N 2.8Å; A92-L96 WeakPolarHBondContact O-CB 3.33Å; A92-L96 PolarHBondContact O-N 3.41Å |
| 93 | A | 94 | Very high | 92 | Very high | 49 Ų | 49 | 75.4 Ų | 75.4 | 41% | 0.405 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q89 L90 C91 L96 R97 | Q89-A93 WeakPolarHBondContact O-CB 3.47Å; Q89-A93 PolarHBondContact O-N 3.43Å; L90-A93 PolarHBondContact O-N 2.85Å; C91-A93 PolarHBondContact O-N 3.12Å; A93-L96 PolarHBondContact O-N 3.39Å; A93-R97 WeakPolarHBondContact O-CG 3.49Å; A93-R97 PolarHBondContact O-N 3.38Å |
| 94 | L | 94.2 | Very high | 92.3 | Very high | 90 Ų | 90 | 75.3 Ų | 75.3 | 47% | 0.471 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 176.6 | -74.6 | 171.9 | 0 | 0 | 0 | 111.8 | L90 C91 L96 R97 N98 V117 | L90-L94 WeakPolarHBondContact O-CB 3.23Å; L90-L94 WeakPolarHBondContact O-CG 3.46Å; L90-L94 PolarHBondContact O-N 3.25Å; C91-L94 PolarHBondContact O-N 3.1Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 2.89Å; L94-R97 PolarHBondContact O-N 3.46Å; L94-N98 WeakPolarHBondContact O-CB 3.2Å; L94-N98 PolarHBondContact O-N 2.99Å; L94-V117 HydrophobicContact CB-CG2 4.3Å |
| 95 | L | 93.2 | Very high | 92.5 | Very high | 68 Ų | 68 | 74.9 Ų | 74.9 | 36% | 0.356 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 176.8 | -72.1 | 169 | 0 | 0 | 0 | 111.8 | C91 A92 N98 S99 V117 V122 | C91-L95 WeakPolarHBondContact O-CG 3.06Å; C91-L95 PolarHBondContact O-N 2.97Å; A92-L95 PolarHBondContact O-N 2.8Å; L95-N98 PolarHBondContact O-N 3.39Å; L95-S99 PolarHBondContact O-N 3.43Å; L95-S99 PolarHBondContact O-OG 3.31Å; L95-V117 HydrophobicContact CD2-CB 3.98Å; L95-V117 HydrophobicContact CD2-CG2 3.71Å; L95-V117 HydrophobicContact CG-CG2 4.22Å; L95-V122 HydrophobicContact CD2-CG2 4.26Å |
| 96 | L | 93.6 | Very high | 92.7 | Very high | 94 Ų | 94 | 79 Ų | 79 | 49% | 0.492 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 176.3 | 179 | 62.6 | 0 | 0 | 0 | 112.2 | A92 A93 L94 S99 Q100 | A92-L96 WeakPolarHBondContact O-CB 3.33Å; A92-L96 PolarHBondContact O-N 3.41Å; A93-L96 PolarHBondContact O-N 3.39Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 2.89Å; L96-S99 PolarHBondContact O-N 3.32Å; L96-S99 PolarHBondContact O-OG 3.08Å; L96-Q100 WeakPolarHBondContact O-CB 3.36Å; L96-Q100 VanDerWaalsContact O-CG 3.24Å; L96-Q100 WeakPolarHBondContact O-CG 3.43Å; L96-Q100 PolarHBondContact O-N 3.48Å |
| 97 | R | 94.3 | Very high | 92.9 | Very high | 156 Ų | 156 | 79.9 Ų | 79.9 | 59% | 0.589 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -67.5 | -41.3 | 177.2 | -68.5 | -50.9 | -174 | -176.6 | 0.9 | 111.8 | A93 L94 S99 Q100 L101 | A93-R97 WeakPolarHBondContact O-CG 3.49Å; A93-R97 PolarHBondContact O-N 3.38Å; L94-R97 PolarHBondContact O-N 3.46Å; R97-S99 PolarHBondContact O-N 2.79Å; R97-Q100 VanDerWaalsContact CD-OE1 3.26Å; R97-Q100 PolarHBondContact O-N 3.23Å; R97-L101 WeakPolarHBondContact O-CG 3.45Å; R97-L101 PolarHBondContact O-N 2.8Å |
| 98 | N | 93.6 | Very high | 93.1 | Very high | 35 Ų | 35 | 81.7 Ų | 81.7 | 19% | 0.187 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 175.2 | -80.3 | 11.5 | 0 | 0 | 0 | 111.4 | L94 L95 Q100 L101 S102 V114 P115 V117 | L94-N98 WeakPolarHBondContact O-CB 3.2Å; L94-N98 PolarHBondContact O-N 2.99Å; L95-N98 PolarHBondContact O-N 3.39Å; N98-Q100 VanDerWaalsContact C-N 3.35Å; N98-Q100 PolarHBondContact O-N 2.95Å; N98-L101 PolarHBondContact O-N 3.49Å; N98-S102 PolarHBondContact O-N 3.11Å; N98-S102 PolarHBondContact O-OG 3.23Å; N98-V114 HydrophobicContact CB-CG1 3.94Å; N98-P115 PolarHBondContact ND2-O 3.39Å; N98-V117 WeakPolarHBondContact ND2-CG2 3.44Å |
| 99 | S | 91.7 | Very high | 93.1 | Very high | 65 Ų | 65 | 79.3 Ų | 79.3 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.8 | -36.3 | 177.8 | 69.9 | 0 | 0 | 0 | 0 | 113 | L95 L96 R97 S102 L103 | L95-S99 PolarHBondContact O-N 3.43Å; L95-S99 PolarHBondContact O-OG 3.31Å; L96-S99 PolarHBondContact O-N 3.32Å; L96-S99 PolarHBondContact O-OG 3.08Å; R97-S99 PolarHBondContact O-N 2.79Å; S99-S102 PolarHBondContact O-N 3.39Å; S99-L103 WeakPolarHBondContact O-CB 3.08Å; S99-L103 PolarHBondContact O-N 3.41Å |
| 100 | Q | 94.5 | Very high | 93 | Very high | 81 Ų | 81 | 77 Ų | 77 | 38% | 0.379 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 173.2 | -75 | 173.4 | -10.5 | 0 | 0 | 112.4 | L96 R97 N98 L104 | L96-Q100 WeakPolarHBondContact O-CB 3.36Å; L96-Q100 VanDerWaalsContact O-CG 3.24Å; L96-Q100 WeakPolarHBondContact O-CG 3.43Å; L96-Q100 PolarHBondContact O-N 3.48Å; R97-Q100 VanDerWaalsContact CD-OE1 3.26Å; R97-Q100 PolarHBondContact O-N 3.23Å; N98-Q100 VanDerWaalsContact C-N 3.35Å; N98-Q100 PolarHBondContact O-N 2.95Å; Q100-L104 WeakPolarHBondContact O-CB 3.42Å; Q100-L104 PolarHBondContact O-N 3.35Å |
| 101 | L | 94.3 | Very high | 92.6 | Very high | 79 Ų | 79 | 77.5 Ų | 77.5 | 41% | 0.414 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 177 | -70.7 | 172.9 | 0 | 0 | 0 | 111.5 | R97 N98 L104 G105 L112 V114 | R97-L101 WeakPolarHBondContact O-CG 3.45Å; R97-L101 PolarHBondContact O-N 2.8Å; N98-L101 PolarHBondContact O-N 3.49Å; L101-L104 PolarHBondContact O-N 3.36Å; L101-G105 PolarHBondContact O-N 2.93Å; L101-L112 WeakPolarHBondContact O-CD1 3.43Å; L101-V114 HydrophobicContact CB-CG1 4.31Å; L101-V114 HydrophobicContact CB-CG2 3.54Å; L101-V114 HydrophobicContact CD1-CG1 4.41Å; L101-V114 HydrophobicContact CD1-CG2 4.45Å |
| 102 | S | 91 | Very high | 92.4 | Very high | 55 Ų | 55 | 80.9 Ų | 80.9 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.2 | -49.5 | 174.3 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | N98 S99 L104 G105 D106 | N98-S102 PolarHBondContact O-N 3.11Å; N98-S102 PolarHBondContact O-OG 3.23Å; S99-S102 PolarHBondContact O-N 3.39Å; S102-L104 VanDerWaalsContact C-N 3.32Å; S102-L104 PolarHBondContact O-N 2.97Å; S102-G105 PolarHBondContact O-N 2.94Å; S102-G105 VanDerWaalsContact O-N 3.16Å; S102-D106 PolarHBondContact O-N 2.86Å |
| 103 | L | 93.2 | Very high | 92.3 | Very high | 107 Ų | 107 | 85.8 Ų | 85.8 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.9 | -40.2 | 176.9 | 178.6 | 64.9 | 0 | 0 | 0 | 112.5 | S99 G105 D106 V107 | S99-L103 WeakPolarHBondContact O-CB 3.08Å; S99-L103 PolarHBondContact O-N 3.41Å; L103-G105 VanDerWaalsContact C-N 3.34Å; L103-D106 PolarHBondContact O-N 2.87Å; L103-V107 HydrophobicContact CD1-CG2 4.24Å; L103-V107 HydrophobicContact CG-CG2 4.46Å; L103-V107 VanDerWaalsContact O-CG2 3.3Å; L103-V107 WeakPolarHBondContact O-CG2 3.39Å; L103-V107 PolarHBondContact O-N 2.87Å |
| 104 | L | 95.1 | Very high | 92 | Very high | 100 Ų | 100 | 85 Ų | 85 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 177.4 | -179.8 | 64 | 0 | 0 | 0 | 111.6 | Q100 L101 S102 D106 V107 A108 L112 | Q100-L104 WeakPolarHBondContact O-CB 3.42Å; Q100-L104 PolarHBondContact O-N 3.35Å; L101-L104 PolarHBondContact O-N 3.36Å; S102-L104 VanDerWaalsContact C-N 3.32Å; S102-L104 PolarHBondContact O-N 2.97Å; L104-D106 VanDerWaalsContact C-N 3.34Å; L104-V107 PolarHBondContact O-N 3.28Å; L104-A108 WeakPolarHBondContact O-CB 3.35Å; L104-A108 PolarHBondContact O-N 3.33Å; L104-L112 HydrophobicContact CB-CD1 4.41Å; L104-L112 HydrophobicContact CD2-CD1 4.41Å; L104-L112 HydrophobicContact CG-CD1 4.41Å |
| 105 | G | 93.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 85.4 Ų | 85.4 | 4% | 0.041 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L101 S102 L103 A108 G109 V110 | L101-G105 PolarHBondContact O-N 2.93Å; S102-G105 PolarHBondContact O-N 2.94Å; S102-G105 VanDerWaalsContact O-N 3.16Å; L103-G105 VanDerWaalsContact C-N 3.34Å; G105-A108 PolarHBondContact O-N 3.49Å; G105-G109 PolarHBondContact O-N 3.43Å; G105-G109 VanDerWaalsContact O-N 3.07Å; G105-V110 CarbonylContact C-O 3.43Å; G105-V110 WeakPolarHBondContact CA-O 3.45Å; G105-V110 PolarHBondContact O-N 2.92Å; G105-V110 VanDerWaalsContact O-N 3.14Å; G105-V110 VanDerWaalsContact O-O 3.11Å |
| 106 | D | 90.8 | Very high | 91.5 | Very high | 129 Ų | 129 | 85.4 Ų | 85.4 | 69% | 0.69 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.3 | -45.9 | 176.8 | -64.2 | -25.7 | 0 | 0 | 0 | 111.9 | S102 L103 L104 G109 | S102-D106 PolarHBondContact O-N 2.86Å; L103-D106 PolarHBondContact O-N 2.87Å; L104-D106 VanDerWaalsContact C-N 3.34Å; D106-G109 PolarHBondContact O-N 3.47Å |
| 107 | V | 94 | Very high | 91.3 | Very high | 114 Ų | 114 | 82 Ų | 82 | 69% | 0.691 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.6 | -39.1 | -179.8 | 172.4 | 0 | 0 | 0 | 0 | 112 | L103 L104 G109 | L103-V107 HydrophobicContact CD1-CG2 4.24Å; L103-V107 HydrophobicContact CG-CG2 4.46Å; L103-V107 VanDerWaalsContact O-CG2 3.3Å; L103-V107 WeakPolarHBondContact O-CG2 3.39Å; L103-V107 PolarHBondContact O-N 2.87Å; L104-V107 PolarHBondContact O-N 3.28Å; V107-G109 PolarHBondContact O-N 2.92Å |
| 108 | A | 93.6 | Very high | 91.2 | Very high | 62 Ų | 62 | 77.6 Ų | 77.6 | 51% | 0.512 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -75.2 | -13.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | L104 G105 V110 | L104-A108 WeakPolarHBondContact O-CB 3.35Å; L104-A108 PolarHBondContact O-N 3.33Å; G105-A108 PolarHBondContact O-N 3.49Å; A108-V110 HydrophobicContact CB-CB 4.39Å; A108-V110 HydrophobicContact CB-CG2 4.38Å; A108-V110 PolarHBondContact O-N 3.45Å |
| 109 | G | 92.3 | Very high | 91.1 | Very high | 65 Ų | 65 | 81.9 Ų | 81.9 | 67% | 0.67 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 19.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G105 D106 V107 | G105-G109 PolarHBondContact O-N 3.43Å; G105-G109 VanDerWaalsContact O-N 3.07Å; D106-G109 PolarHBondContact O-N 3.47Å; V107-G109 PolarHBondContact O-N 2.92Å |
| 110 | V | 90.1 | Very high | 91.1 | Very high | 82 Ų | 82 | 83.8 Ų | 83.8 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | trans | -116 | 115.3 | 178.9 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | G105 A108 L112 | G105-V110 CarbonylContact C-O 3.43Å; G105-V110 WeakPolarHBondContact CA-O 3.45Å; G105-V110 PolarHBondContact O-N 2.92Å; G105-V110 VanDerWaalsContact O-N 3.14Å; G105-V110 VanDerWaalsContact O-O 3.11Å; A108-V110 HydrophobicContact CB-CB 4.39Å; A108-V110 HydrophobicContact CB-CG2 4.38Å; A108-V110 PolarHBondContact O-N 3.45Å; V110-L112 PolarHBondContact O-N 3.17Å | ||
| 111 | P | 84.3 | Confident | 90.8 | Very high | 126 Ų | 126 | 82.6 Ų | 82.6 | 82% | 0.818 | 51% | 0.505 | S | S | * | . | trans | -63.9 | 114.2 | 177.9 | 26.3 | -32.6 | 0 | 0 | 0 | 109.4 | ||||
| 112 | L | 87.6 | Confident | 90.7 | Very high | 79 Ų | 79 | 81.1 Ų | 81.1 | 41% | 0.414 | 50% | 0.499 | S | S | . | . | trans | -91.1 | 120.2 | 171.1 | -65.3 | 178.2 | 0 | 0 | 0 | 108.3 | L101 L104 V110 V114 | L101-L112 WeakPolarHBondContact O-CD1 3.43Å; L104-L112 HydrophobicContact CB-CD1 4.41Å; L104-L112 HydrophobicContact CD2-CD1 4.41Å; L104-L112 HydrophobicContact CG-CD1 4.41Å; V110-L112 PolarHBondContact O-N 3.17Å; L112-V114 VanDerWaalsContact C-N 3.29Å; L112-V114 HydrophobicContact CB-CG2 4.04Å; L112-V114 PolarHBondContact O-N 3.02Å | ||
| 113 | D | 89.1 | Confident | 90.6 | Very high | 162 Ų | 162 | 84.9 Ų | 84.9 | 87% | 0.866 | 51% | 0.511 | S | S | * | . | trans | -75.1 | 81.5 | 175 | -172.4 | 23.8 | 0 | 0 | 0 | 109.7 | P115 | D113-P115 WeakPolarHBondContact O-CD 3.35Š| ||
| 114 | V | 88.1 | Confident | 90.3 | Very high | 33 Ų | 33 | 84.1 Ų | 84.1 | 20% | 0.2 | 51% | 0.507 | C | S | . | . | trans | -88.4 | 111.6 | -179.1 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | N98 L101 L112 G116 | N98-V114 HydrophobicContact CB-CG1 3.94Å; L101-V114 HydrophobicContact CB-CG1 4.31Å; L101-V114 HydrophobicContact CB-CG2 3.54Å; L101-V114 HydrophobicContact CD1-CG1 4.41Å; L101-V114 HydrophobicContact CD1-CG2 4.45Å; L112-V114 VanDerWaalsContact C-N 3.29Å; L112-V114 HydrophobicContact CB-CG2 4.04Å; L112-V114 PolarHBondContact O-N 3.02Å; V114-G116 PolarHBondContact O-N 3.3Å | ||
| 115 | P | 88.8 | Confident | 90.1 | Very high | 98 Ų | 98 | 83.2 Ų | 83.2 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 132.5 | 178.3 | 26.1 | -33 | 0 | 0 | 0 | 110.5 | N98 D113 | N98-P115 PolarHBondContact ND2-O 3.39Å; D113-P115 WeakPolarHBondContact O-CD 3.35Å |
| 116 | G | 88.4 | Confident | 89.5 | Confident | 67 Ų | 67 | 84.8 Ų | 84.8 | 69% | 0.691 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -61 | 150.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V114 | V114-G116 PolarHBondContact O-N 3.3Š|
| 117 | V | 89.2 | Confident | 88.4 | Confident | 22 Ų | 22 | 81.3 Ų | 81.3 | 13% | 0.133 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 130.4 | 171.5 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | L94 L95 N98 D119 L121 V122 | L94-V117 HydrophobicContact CB-CG2 4.3Å; L95-V117 HydrophobicContact CD2-CB 3.98Å; L95-V117 HydrophobicContact CD2-CG2 3.71Å; L95-V117 HydrophobicContact CG-CG2 4.22Å; N98-V117 WeakPolarHBondContact ND2-CG2 3.44Å; V117-D119 PolarHBondContact O-N 3.45Å; V117-L121 HydrophobicContact CG1-CB 4.31Å; V117-L121 HydrophobicContact CG1-CD1 4.49Å; V117-V122 HydrophobicContact CB-CG2 4.14Å; V117-V122 HydrophobicContact CG1-CG2 3.85Å |
| 118 | P | 92.4 | Very high | 86.5 | Confident | 65 Ų | 65 | 81.2 Ų | 81.2 | 42% | 0.422 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 130.2 | 179 | -28.3 | 33.9 | 0 | 0 | 0 | 113.2 | H120 L121 V122 | P118-H120 WeakPolarHBondContact CB-CE1 3.32Å; P118-H120 WeakPolarHBondContact CB-ND1 3.49Å; P118-H120 PolarHBondContact O-N 3.12Å; P118-H120 VanDerWaalsContact O-N 3.1Å; P118-L121 HydrophobicContact CB-CD1 4.34Å; P118-L121 HydrophobicContact CB-CG 4.33Å; P118-L121 HydrophobicContact CG-CD1 4.22Å; P118-L121 WeakPolarHBondContact O-CB 3.45Å; P118-L121 PolarHBondContact O-N 3.29Å; P118-V122 PolarHBondContact O-N 2.98Å |
| 119 | D | 90.7 | Very high | 84.5 | Confident | 124 Ų | 124 | 86.8 Ų | 86.8 | 66% | 0.663 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -54.9 | -36.1 | -173.1 | -65.1 | -30.1 | 0 | 0 | 0 | 113.7 | V117 L121 V122 Q123 | V117-D119 PolarHBondContact O-N 3.45Å; D119-L121 VanDerWaalsContact C-N 3.3Å; D119-L121 PolarHBondContact O-N 3.48Å; D119-V122 PolarHBondContact O-N 2.89Å; D119-Q123 WeakPolarHBondContact O-CB 3.36Å; D119-Q123 VanDerWaalsContact O-CG 3.28Å; D119-Q123 WeakPolarHBondContact O-CG 3.47Å; D119-Q123 PolarHBondContact O-N 2.99Å |
| 120 | H | 91 | Very high | 82.3 | Confident | 106 Ų | 106 | 88 Ų | 88 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -34.2 | 179 | 70.7 | -83.2 | 0 | 0 | 0 | 112.5 | P118 Q123 L124 | P118-H120 WeakPolarHBondContact CB-CE1 3.32Å; P118-H120 WeakPolarHBondContact CB-ND1 3.49Å; P118-H120 PolarHBondContact O-N 3.12Å; P118-H120 VanDerWaalsContact O-N 3.1Å; H120-Q123 PolarHBondContact O-N 3.46Å; H120-L124 WeakPolarHBondContact O-CB 3.42Å; H120-L124 VanDerWaalsContact O-CG 3.22Å; H120-L124 WeakPolarHBondContact O-CG 3.33Å; H120-L124 PolarHBondContact O-N 2.96Å |
| 121 | L | 89.6 | Confident | 80.3 | Confident | 55 Ų | 55 | 89.1 Ų | 89.1 | 29% | 0.288 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.7 | -39.6 | 175.9 | -62.4 | -179.8 | 0 | 0 | 0 | 110.5 | V117 P118 D119 Q123 L124 Y125 | V117-L121 HydrophobicContact CG1-CB 4.31Å; V117-L121 HydrophobicContact CG1-CD1 4.49Å; P118-L121 HydrophobicContact CB-CD1 4.34Å; P118-L121 HydrophobicContact CB-CG 4.33Å; P118-L121 HydrophobicContact CG-CD1 4.22Å; P118-L121 WeakPolarHBondContact O-CB 3.45Å; P118-L121 PolarHBondContact O-N 3.29Å; D119-L121 VanDerWaalsContact C-N 3.3Å; D119-L121 PolarHBondContact O-N 3.48Å; L121-Q123 VanDerWaalsContact C-N 3.35Å; L121-L124 PolarHBondContact O-N 2.9Å; L121-Y125 HydrophobicContact CD2-CD2 4.26Å; L121-Y125 HydrophobicContact CD2-CE2 4.19Å; L121-Y125 WeakPolarHBondContact O-CA 3.39Å; L121-Y125 WeakPolarHBondContact O-CB 2.95Å; L121-Y125 PolarHBondContact O-N 3.35Å |
| 122 | V | 91 | Very high | 78.9 | Confident | 48 Ų | 48 | 89.5 Ų | 89.5 | 29% | 0.291 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | L95 V117 P118 D119 G126 | L95-V122 HydrophobicContact CD2-CG2 4.26Å; V117-V122 HydrophobicContact CB-CG2 4.14Å; V117-V122 HydrophobicContact CG1-CG2 3.85Å; P118-V122 PolarHBondContact O-N 2.98Å; D119-V122 PolarHBondContact O-N 2.89Å; V122-G126 WeakPolarHBondContact O-CA 3.41Å; V122-G126 PolarHBondContact O-N 3.05Å |
| 123 | Q | 89.2 | Confident | 77 | Confident | 134 Ų | 134 | 92.7 Ų | 92.7 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 175.6 | -73.1 | 171.7 | 47.6 | 0 | 0 | 112.5 | D119 H120 L121 | D119-Q123 WeakPolarHBondContact O-CB 3.36Å; D119-Q123 VanDerWaalsContact O-CG 3.28Å; D119-Q123 WeakPolarHBondContact O-CG 3.47Å; D119-Q123 PolarHBondContact O-N 2.99Å; H120-Q123 PolarHBondContact O-N 3.46Å; L121-Q123 VanDerWaalsContact C-N 3.35Å |
| 124 | L | 88.3 | Confident | 75.2 | Confident | 91 Ų | 91 | 89.5 Ų | 89.5 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -79.9 | -38.1 | -177.8 | -69.2 | 171.4 | 0 | 0 | 0 | 113.1 | H120 L121 | H120-L124 WeakPolarHBondContact O-CB 3.42Å; H120-L124 VanDerWaalsContact O-CG 3.22Å; H120-L124 WeakPolarHBondContact O-CG 3.33Å; H120-L124 PolarHBondContact O-N 2.96Å; L121-L124 PolarHBondContact O-N 2.9Å |
| 125 | Y | 89.7 | Confident | 73.6 | Confident | 81 Ų | 81 | 96.4 Ų | 96.4 | 32% | 0.318 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -126.4 | -1.2 | -167.3 | -53.2 | -63.8 | 0 | 0 | 0 | 114.1 | A87 R88 L121 G127 | A87-Y125 HydrophobicContact CB-CD1 3.45Å; A87-Y125 VanDerWaalsContact CB-CD1 3.45Å; A87-Y125 HydrophobicContact CB-CD2 4.25Å; A87-Y125 HydrophobicContact CB-CE1 3.46Å; A87-Y125 VanDerWaalsContact CB-CE1 3.46Å; A87-Y125 HydrophobicContact CB-CE2 4.26Å; A87-Y125 HydrophobicContact CB-CG 3.86Å; R88-Y125 WeakPolarHBondContact CA-O 3.42Å; R88-Y125 HydrophobicContact CG-CD1 4.4Å; R88-Y125 WeakPolarHBondContact CG-O 3.47Å; L121-Y125 HydrophobicContact CD2-CD2 4.26Å; L121-Y125 HydrophobicContact CD2-CE2 4.19Å; L121-Y125 WeakPolarHBondContact O-CA 3.39Å; L121-Y125 WeakPolarHBondContact O-CB 2.95Å; L121-Y125 PolarHBondContact O-N 3.35Å; Y125-G127 PolarHBondContact O-N 3.49Å |
| 126 | G | 81.7 | Confident | 71.9 | Confident | 37 Ų | 37 | 95.9 Ų | 95.9 | 38% | 0.381 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -78.7 | 8.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V122 | V122-G126 WeakPolarHBondContact O-CA 3.41Å; V122-G126 PolarHBondContact O-N 3.05Å |
| 127 | G | 68.2 | Low | 70.2 | Confident | 57 Ų | 57 | 97.8 Ų | 97.8 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 90.6 | 4.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116 | Y125 Q129 | Y125-G127 PolarHBondContact O-N 3.49Å; G127-Q129 PolarHBondContact O-N 3.06Å |
| 128 | V | 52.6 | Low | 68.3 | Low | 111 Ų | 111 | 102 Ų | 102 | 67% | 0.673 | 59% | 0.593 | S | S | * | * | trans | -76.3 | 116.7 | 161.5 | -175.2 | 0 | 0 | 0 | 0 | 106.8 | V130 | V128-V130 VanDerWaalsContact C-N 3.26Å; V128-V130 PolarHBondContact O-N 3.16Å | ||
| 129 | Q | 51.7 | Low | 66.6 | Low | 180 Ų | 180 | 104.6 Ų | 104.6 | 84% | 0.841 | 61% | 0.607 | S | S | * | * | trans | -61.4 | 94.2 | 170 | -60.7 | -146.5 | 93.5 | 0 | 0 | 107.8 | G127 P131 | G127-Q129 PolarHBondContact O-N 3.06Å; Q129-P131 VanDerWaalsContact O-CD 3.23Å; Q129-P131 WeakPolarHBondContact O-CD 3.45Å | ||
| 130 | V | 47.5 | Very low | 65 | Low | 89 Ų | 89 | 106.3 Ų | 106.3 | 54% | 0.539 | 61% | 0.613 | S | S | . | * | trans | -62.4 | 116.4 | 154.4 | -99.2 | 0 | 0 | 0 | 0 | 104.7 | V128 V132 | V128-V130 VanDerWaalsContact C-N 3.26Å; V128-V130 PolarHBondContact O-N 3.16Å; V130-V132 PolarHBondContact O-N 3.36Å | ||
| 131 | P | 47 | Very low | 63.2 | Low | 107 Ų | 107 | 107 Ų | 107 | 70% | 0.695 | 63% | 0.627 | S | S | * | * | trans | -59.6 | 111.4 | 169.2 | 23.6 | -26.6 | 0 | 0 | 0 | 104.8 | Q129 M133 | Q129-P131 VanDerWaalsContact O-CD 3.23Å; Q129-P131 WeakPolarHBondContact O-CD 3.45Å; P131-M133 PolarHBondContact O-N 3.01Å | ||
| 132 | V | 54.4 | Low | 61.5 | Low | 134 Ų | 134 | 112.8 Ų | 112.8 | 81% | 0.812 | 66% | 0.657 | S | S | * | * | trans | -62.1 | 93.4 | 161.7 | 178.1 | 0 | 0 | 0 | 0 | 103.1 | V130 P134 | V130-V132 PolarHBondContact O-N 3.36Å; V132-P134 WeakPolarHBondContact O-CD 3.26Å; V132-P134 VanDerWaalsContact O-N 3.15Å | ||
| 133 | M | 47.9 | Very low | 60.3 | Low | 145 Ų | 145 | 115 Ų | 115 | 71% | 0.714 | 68% | 0.675 | S | S | * | * | trans | -55.7 | 126.3 | 171.9 | -79.3 | -147 | 73 | 0 | 0 | 105.4 | P131 L135 | P131-M133 PolarHBondContact O-N 3.01Å; M133-L135 PolarHBondContact O-N 3.16Å; M133-L135 VanDerWaalsContact O-N 3.16Å | ||
| 134 | P | 52 | Low | 58.8 | Low | 96 Ų | 96 | 114.8 Ų | 114.8 | 62% | 0.623 | 69% | 0.685 | S | S | * | * | trans | -54.8 | 130.7 | 168.1 | 24 | -30.5 | 0 | 0 | 0 | 105.9 | V132 S136 | V132-P134 WeakPolarHBondContact O-CD 3.26Å; V132-P134 VanDerWaalsContact O-N 3.15Å; P134-S136 PolarHBondContact O-N 3.48Å | ||
| 135 | L | 54.4 | Low | 57.7 | Low | 177 Ų | 177 | 115.4 Ų | 115.4 | 93% | 0.927 | 70% | 0.697 | S | S | * | * | trans | -61.6 | 81.7 | 164.5 | -76.4 | 159.3 | 0 | 0 | 0 | 106.1 | M133 P137 | M133-L135 PolarHBondContact O-N 3.16Å; M133-L135 VanDerWaalsContact O-N 3.16Å; L135-P137 WeakPolarHBondContact O-CD 3.42Å | ||
| 136 | S | 52.8 | Low | 56.2 | Low | 88 Ų | 88 | 117.1 Ų | 117.1 | 62% | 0.615 | 72% | 0.718 | S | S | * | * | trans | -59.7 | 119.5 | 167.7 | -62.2 | 0 | 0 | 0 | 0 | 105.3 | P134 S138 | P134-S136 PolarHBondContact O-N 3.48Å; S136-S138 PolarHBondContact O-N 2.97Å | ||
| 137 | P | 52.1 | Low | 55.1 | Low | 107 Ų | 107 | 121 Ų | 121 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | trans | -59 | 114.1 | 169.2 | 24.3 | -30 | 0 | 0 | 0 | 106 | L135 V139 | L135-P137 WeakPolarHBondContact O-CD 3.42Å; P137-V139 HydrophobicContact CB-CG2 4.23Å; P137-V139 HydrophobicContact CG-CG2 4.44Å; P137-V139 PolarHBondContact O-N 3.27Å | ||
| 138 | S | 49.8 | Very low | 55 | Low | 111 Ų | 111 | 123.4 Ų | 123.4 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -67.3 | 85.5 | 170.7 | -168.6 | 0 | 0 | 0 | 0 | 106.8 | S136 M140 | S136-S138 PolarHBondContact O-N 2.97Å; S138-M140 PolarHBondContact O-N 2.99Å | ||
| 139 | V | 57.7 | Low | 55.1 | Low | 119 Ų | 119 | 123.3 Ų | 123.3 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | trans | -80.5 | 99.1 | 170.1 | -168.1 | 0 | 0 | 0 | 0 | 105.5 | P137 P141 | P137-V139 HydrophobicContact CB-CG2 4.23Å; P137-V139 HydrophobicContact CG-CG2 4.44Å; P137-V139 PolarHBondContact O-N 3.27Å; V139-P141 WeakPolarHBondContact O-CD 3.39Å | ||
| 140 | M | 55.7 | Low | 54.6 | Low | 160 Ų | 160 | 122.8 Ų | 122.8 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | trans | -60 | 124.7 | 169.8 | -72.7 | -141.2 | 140.3 | 0 | 0 | 109.6 | S138 L142 | S138-M140 PolarHBondContact O-N 2.99Å; M140-L142 PolarHBondContact O-N 3.26Å | ||
| 141 | P | 54.7 | Low | 54.6 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -87.8 | 100.2 | 177.8 | 32.5 | -29.1 | 0 | 0 | 0 | 109.7 | V139 S143 | V139-P141 WeakPolarHBondContact O-CD 3.39Å; P141-S143 PolarHBondContact O-N 3.45Å | ||
| 142 | L | 53.8 | Low | 54.5 | Low | 177 Ų | 177 | 129.7 Ų | 129.7 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | trans | -89.2 | 81.9 | 157.7 | -73.8 | 166.5 | 0 | 0 | 0 | 107.8 | M140 | M140-L142 PolarHBondContact O-N 3.26Š| ||
| 143 | S | 66.2 | Low | 54.4 | Low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 158.2 | 138.1 | 154.3 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | P141 S145 | P141-S143 PolarHBondContact O-N 3.45Å; S143-S145 PolarHBondContact O-N 3.04Å |
| 144 | P | 56.7 | Low | 55.1 | Low | 130 Ų | 130 | 129.2 Ų | 129.2 | 84% | 0.844 | 76% | 0.757 | S | S | * | * | trans | -84.7 | 112.4 | 176.9 | 33.3 | -28.9 | 0 | 0 | 0 | 110.7 | ||||
| 145 | S | 65.2 | Low | 55.7 | Low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -130.5 | 144.9 | 161.2 | 75.7 | 0 | 0 | 0 | 0 | 110.3 | S143 | S143-S145 PolarHBondContact O-N 3.04Š| ||
| 146 | P | 58.6 | Low | 56.2 | Low | 116 Ų | 116 | 125 Ų | 125 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 147 | -171.3 | 30.8 | -34.6 | 0 | 0 | 0 | 111.5 | ||
| 147 | P | 57.7 | Low | 56.8 | Low | 118 Ų | 118 | 127.2 Ų | 127.2 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 144.7 | -175.9 | 30.5 | -33.5 | 0 | 0 | 0 | 111.8 | ||
| 148 | P | 65.6 | Low | 57.2 | Low | 108 Ų | 108 | 125.6 Ų | 125.6 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 160.8 | 169.3 | 31 | -33.2 | 0 | 0 | 0 | 111.1 | L150 | P148-L150 PolarHBondContact O-N 3.45Š|
| 149 | P | 55.4 | Low | 57.8 | Low | 110 Ų | 110 | 124.8 Ų | 124.8 | 71% | 0.714 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 136.7 | -174.3 | 24.2 | -33.5 | 0 | 0 | 0 | 112.3 | H151 | P149-H151 PolarHBondContact O-N 2.94Š|
| 150 | L | 41.3 | Very low | 58.1 | Low | 168 Ų | 168 | 124.7 Ų | 124.7 | 88% | 0.88 | 70% | 0.698 | S | S | * | * | trans | -66.2 | 91.5 | 177.6 | -61.4 | 175.7 | 0 | 0 | 0 | 110.2 | P148 L152 | P148-L150 PolarHBondContact O-N 3.45Å; L150-L152 PolarHBondContact O-N 3.48Å | ||
| 151 | H | 46.7 | Very low | 58.2 | Low | 169 Ų | 169 | 124.1 Ų | 124.1 | 78% | 0.782 | 70% | 0.695 | S | S | * | * | trans | -74.3 | 103.7 | 156.6 | -78.1 | -88.8 | 0 | 0 | 0 | 107.1 | P149 Q153 | P149-H151 PolarHBondContact O-N 2.94Å; H151-Q153 PolarHBondContact O-N 2.98Å | ||
| 152 | L | 45.5 | Very low | 58.5 | Low | 173 Ų | 173 | 124.8 Ų | 124.8 | 91% | 0.906 | 69% | 0.691 | S | S | * | * | trans | -59.7 | 87.1 | 169 | -80.1 | 154.6 | 0 | 0 | 0 | 108.5 | L150 L154 | L150-L152 PolarHBondContact O-N 3.48Å; L152-L154 PolarHBondContact O-N 2.97Å | ||
| 153 | Q | 53.6 | Low | 58.8 | Low | 161 Ų | 161 | 122.5 Ų | 122.5 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | trans | -70.3 | 114.9 | 174.7 | -170.2 | 165.4 | -53.9 | 0 | 0 | 107.4 | H151 | H151-Q153 PolarHBondContact O-N 2.98Š| ||
| 154 | L | 61.1 | Low | 58.2 | Low | 107 Ų | 107 | 125.6 Ų | 125.6 | 56% | 0.56 | 68% | 0.683 | S | S | * | * | trans | -53.2 | 144.8 | 174.5 | -77.1 | 137.5 | 0 | 0 | 0 | 110 | L152 L156 I158 | L152-L154 PolarHBondContact O-N 2.97Å; L154-L156 PolarHBondContact O-N 3.39Å; L154-I158 HydrophobicContact CD2-CD1 4.2Å; L154-I158 HydrophobicContact CD2-CG2 4.29Å | ||
| 155 | P | 65.3 | Low | 58.1 | Low | 71 Ų | 71 | 125.1 Ų | 125.1 | 46% | 0.461 | 68% | 0.68 | S | S | . | * | trans | -47.1 | 139.4 | 173.7 | -27.2 | 32.9 | 0 | 0 | 0 | 112.3 | E157 I158 Q159 | P155-E157 WeakPolarHBondContact CB-OE2 3.12Å; P155-E157 PolarHBondContact O-N 3.3Å; P155-E157 VanDerWaalsContact O-N 3.08Å; P155-I158 HydrophobicContact CG-CD1 4.39Å; P155-I158 WeakPolarHBondContact O-CB 3.33Å; P155-I158 PolarHBondContact O-N 3.14Å; P155-Q159 PolarHBondContact O-N 3.07Å | ||
| 156 | L | 63.8 | Low | 57.6 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 59% | 0.592 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -59.3 | -25.8 | -171.8 | -172.5 | 63.6 | 0 | 0 | 0 | 112.6 | L154 I158 Q159 L160 | L154-L156 PolarHBondContact O-N 3.39Å; L156-I158 VanDerWaalsContact C-N 3.31Å; L156-I158 PolarHBondContact O-N 3.5Å; L156-Q159 PolarHBondContact O-N 3.42Å; L156-L160 HydrophobicContact CG-CD1 4.04Å; L156-L160 WeakPolarHBondContact O-CB 3.49Å; L156-L160 WeakPolarHBondContact O-CG 3.39Å; L156-L160 PolarHBondContact O-N 3.45Å |
| 157 | E | 65.6 | Low | 56.9 | Low | 135 Ų | 135 | 127.8 Ų | 127.8 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -64 | -38.8 | 175.4 | -50.5 | 90.5 | -178.3 | 0 | 0 | 111.6 | P155 L160 M161 | P155-E157 WeakPolarHBondContact CB-OE2 3.12Å; P155-E157 PolarHBondContact O-N 3.3Å; P155-E157 VanDerWaalsContact O-N 3.08Å; E157-L160 PolarHBondContact O-N 2.88Å; E157-M161 PolarHBondContact O-N 3.34Å |
| 158 | I | 61.5 | Low | 56.2 | Low | 74 Ų | 74 | 130.1 Ų | 130.1 | 38% | 0.379 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -72.7 | -35.3 | 178.4 | -56.3 | -179 | 0 | 0 | 0 | 110.2 | L154 P155 L156 L162 | L154-I158 HydrophobicContact CD2-CD1 4.2Å; L154-I158 HydrophobicContact CD2-CG2 4.29Å; P155-I158 HydrophobicContact CG-CD1 4.39Å; P155-I158 WeakPolarHBondContact O-CB 3.33Å; P155-I158 PolarHBondContact O-N 3.14Å; L156-I158 VanDerWaalsContact C-N 3.31Å; L156-I158 PolarHBondContact O-N 3.5Å; I158-L162 HydrophobicContact CG2-CD1 3.8Å; I158-L162 HydrophobicContact CG2-CG 4.48Å; I158-L162 WeakPolarHBondContact O-CB 3.21Å; I158-L162 WeakPolarHBondContact O-CD1 3.24Å; I158-L162 VanDerWaalsContact O-CG 3.26Å; I158-L162 WeakPolarHBondContact O-CG 3.46Å; I158-L162 PolarHBondContact O-N 3.4Å; I158-L162 VanDerWaalsContact O-N 3.12Å |
| 159 | Q | 61.2 | Low | 55.4 | Low | 93 Ų | 93 | 132.1 Ų | 132.1 | 44% | 0.435 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -69.7 | -32.2 | 175.5 | -167.6 | 157.1 | 39.6 | 0 | 0 | 112.7 | P155 L156 L163 | P155-Q159 PolarHBondContact O-N 3.07Å; L156-Q159 PolarHBondContact O-N 3.42Å; Q159-L163 WeakPolarHBondContact O-CB 3.3Å; Q159-L163 PolarHBondContact O-N 3.4Å |
| 160 | L | 64.4 | Low | 55.3 | Low | 118 Ų | 118 | 132 Ų | 132 | 62% | 0.618 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -80.6 | -28.1 | 175.7 | -79 | 165.1 | 0 | 0 | 0 | 113.5 | L156 E157 | L156-L160 HydrophobicContact CG-CD1 4.04Å; L156-L160 WeakPolarHBondContact O-CB 3.49Å; L156-L160 WeakPolarHBondContact O-CG 3.39Å; L156-L160 PolarHBondContact O-N 3.45Å; E157-L160 PolarHBondContact O-N 2.88Å |
| 161 | M | 57.3 | Low | 55.7 | Low | 147 Ų | 147 | 130.3 Ų | 130.3 | 72% | 0.724 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -73 | -32.4 | 171.2 | -96.4 | -178.9 | 53.2 | 0 | 0 | 113.1 | E157 | E157-M161 PolarHBondContact O-N 3.34Å |
| 162 | L | 62.2 | Low | 55.9 | Low | 133 Ų | 133 | 125.5 Ų | 125.5 | 70% | 0.696 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -11.2 | -179.8 | -69.5 | 168.8 | 0 | 0 | 0 | 113.8 | I158 | I158-L162 HydrophobicContact CG2-CD1 3.8Å; I158-L162 HydrophobicContact CG2-CG 4.48Å; I158-L162 WeakPolarHBondContact O-CB 3.21Å; I158-L162 WeakPolarHBondContact O-CD1 3.24Å; I158-L162 VanDerWaalsContact O-CG 3.26Å; I158-L162 WeakPolarHBondContact O-CG 3.46Å; I158-L162 PolarHBondContact O-N 3.4Å; I158-L162 VanDerWaalsContact O-N 3.12Å |
| 163 | L | 60.5 | Low | 56.1 | Low | 129 Ų | 129 | 126.4 Ų | 126.4 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 24.8 | 175.6 | -112.3 | 82.9 | 0 | 0 | 0 | 113.2 | Q159 P165 | Q159-L163 WeakPolarHBondContact O-CB 3.3Å; Q159-L163 PolarHBondContact O-N 3.4Å; L163-P165 WeakPolarHBondContact O-CD 3.41Å |
| 164 | Q | 53.4 | Low | 55.6 | Low | 160 Ų | 160 | 126.5 Ų | 126.5 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -85.2 | 101.1 | 164.7 | -60.7 | -157.3 | -64.7 | 0 | 0 | 109 | D166 | Q164-D166 PolarHBondContact O-N 2.97Š| ||
| 165 | P | 53.7 | Low | 55.1 | Low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | trans | -71.5 | 121.2 | 157.3 | 29.9 | -30.3 | 0 | 0 | 0 | 108 | L163 | L163-P165 WeakPolarHBondContact O-CD 3.41Š| ||
| 166 | D | 54.2 | Low | 54.3 | Low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | trans | 5.9 | 123.6 | 157 | -83.5 | -43.8 | 0 | 0 | 0 | 118.4 | Q164 M168 | Q164-D166 PolarHBondContact O-N 2.97Å; D166-M168 PolarHBondContact O-N 2.97Å | ||
| 167 | V | 45.5 | Very low | 53.8 | Low | 126 Ų | 126 | 140.5 Ų | 140.5 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -34.3 | 132.1 | 138.7 | -145.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 168 | M | 42.9 | Very low | 53.2 | Low | 168 Ų | 168 | 140.7 Ų | 140.7 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | trans | 84.9 | 82.7 | 163.7 | -48.6 | -68.3 | -71.7 | 0 | 0 | 117.9 | D166 | D166-M168 PolarHBondContact O-N 2.97Š| ||
| 169 | D | 48.4 | Very low | 52.7 | Low | 150 Ų | 150 | 144.4 Ų | 144.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -152.2 | 75.6 | 142.6 | -140.4 | -2.2 | 0 | 0 | 0 | 112.7 | ||||
| 170 | A | 52.9 | Low | 52.2 | Low | 106 Ų | 106 | 147.5 Ų | 147.5 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -104.5 | 22 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 171 | V | 50.1 | Low | 51.5 | Low | 134 Ų | 134 | 149.3 Ų | 149.3 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | trans | -122.4 | 72.7 | -176.4 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 172 | G | 50.2 | Low | 51.1 | Low | 67 Ų | 67 | 149.5 Ų | 149.5 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | trans | -160.5 | 5.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | L174 | G172-L174 VanDerWaalsContact C-N 3.27Å; G172-L174 PolarHBondContact O-N 3.33Å | ||
| 173 | M | 49.9 | Very low | 50.3 | Low | 192 Ų | 192 | 150.6 Ų | 150.6 | 95% | 0.946 | 84% | 0.842 | S | S | * | * | trans | -92 | 35.2 | 177.7 | -71.6 | -69.3 | -66 | 0 | 0 | 113.2 | ||||
| 174 | L | 44.5 | Very low | 49.5 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 85% | 0.853 | 86% | 0.855 | S | S | * | * | trans | -109.3 | 100.4 | 163.5 | -78.8 | 167.3 | 0 | 0 | 0 | 106.9 | G172 | G172-L174 VanDerWaalsContact C-N 3.27Å; G172-L174 PolarHBondContact O-N 3.33Å | ||
| 175 | E | 48.9 | Very low | 49.2 | Very low | 191 Ų | 191 | 151.7 Ų | 151.7 | 89% | 0.893 | 86% | 0.864 | S | S | * | * | trans | 178.5 | 83.2 | 151.7 | -84.4 | -106.9 | 163.5 | 0 | 0 | 107.2 | ||||
| 176 | L | 49.1 | Very low | 48.8 | Very low | 253 Ų | 253 | 154.5 Ų | 154.5 | 100% | 1.325 | 87% | 0.872 | S | S | * | * | trans | 174.9 | 0 | 142.7 | -91.7 | 169.7 | 0 | 0 | 0 | 109.9 |
Retrieved 176 of 176 residues in 42.6 ms
(Link to these results)