| 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 | 60.1 | Low | 83.7 | Confident | 125 Ų | 125 | 99.5 Ų | 99.5 | 62% | 0.616 | 58% | 0.579 | S | S | * | * | 0 | 118.4 | 0 | -164 | 167.8 | 168 | 0 | 0 | 104.5 | I15 L22 | M1-I15 HydrophobicContact CE-CG1 4.39Å; M1-I15 HydrophobicContact CE-CG2 4.42Å; M1-L22 HydrophobicContact SD-CD1 4.42Å | |||
| 2 | P | 64.3 | Low | 84.4 | Confident | 101 Ų | 101 | 101.4 Ų | 101.4 | 66% | 0.656 | 58% | 0.575 | S | S | * | * | trans | -53.4 | 149.1 | 180 | 22.1 | -30.4 | 0 | 0 | 0 | 109.2 | I4 | P2-I4 HydrophobicContact CG-CD1 4.21Å; P2-I4 HydrophobicContact CG-CG1 4.08Å; P2-I4 PolarHBondContact O-N 3.03Å | ||
| 3 | D | 75 | Confident | 85 | Confident | 140 Ų | 140 | 98.2 Ų | 98.2 | 75% | 0.749 | 56% | 0.563 | S | S | * | * | trans | -70.5 | 85 | 175.5 | -74.7 | -40.8 | 0 | 0 | 0 | 108.9 | R19 | D3-R19 IonicContact OD1-NH2 3.48Å; D3-R19 PolarHBondContact OD1-NH2 3.44Å | ||
| 4 | I | 82.9 | Confident | 85.3 | Confident | 94 Ų | 94 | 95.9 Ų | 95.9 | 48% | 0.482 | 55% | 0.551 | S | S | . | * | trans | -80.1 | 119 | 175.3 | -61 | 166.3 | 0 | 0 | 0 | 107.1 | P2 V6 | P2-I4 HydrophobicContact CG-CD1 4.21Å; P2-I4 HydrophobicContact CG-CG1 4.08Å; P2-I4 PolarHBondContact O-N 3.03Å; I4-V6 HydrophobicContact CG2-CG1 3.97Å | ||
| 5 | E | 85.4 | Confident | 85.6 | Confident | 191 Ų | 191 | 91 Ų | 91 | 89% | 0.893 | 52% | 0.522 | S | S | * | . | trans | -82.3 | 123 | 170.2 | -65.7 | -168.8 | 166.8 | 0 | 0 | 110.1 | ||||
| 6 | V | 90.6 | Very high | 85.7 | Confident | 40 Ų | 40 | 91.1 Ų | 91.1 | 24% | 0.242 | 52% | 0.516 | C | S | . | . | trans | -119.2 | 136.3 | 174 | -63.2 | 0 | 0 | 0 | 0 | 109.7 | I4 A11 K12 I15 | I4-V6 HydrophobicContact CG2-CG1 3.97Å; V6-A11 HydrophobicContact CB-CB 4.05Å; V6-A11 HydrophobicContact CG2-CB 3.74Å; V6-K12 HydrophobicContact CG2-CB 4.31Å; V6-K12 HydrophobicContact CG2-CG 3.55Å; V6-K12 WeakPolarHBondContact O-CE 3.33Å; V6-I15 HydrophobicContact CB-CD1 4.4Å; V6-I15 HydrophobicContact CG1-CD1 3.78Å; V6-I15 HydrophobicContact CG2-CD1 3.66Å | ||
| 7 | A | 92.7 | Very high | 85.9 | Confident | 102 Ų | 102 | 90.1 Ų | 90.1 | 84% | 0.843 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -73.7 | -36.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 8 | H | 93.3 | Very high | 86.1 | Confident | 120 Ų | 120 | 85.7 Ų | 85.7 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -76.3 | 128.2 | -171.7 | -167.1 | -85.2 | 0 | 0 | 0 | 111.9 | A10 A11 K12 | H8-A10 VanDerWaalsContact C-N 3.34Å; H8-A10 WeakPolarHBondContact CE1-CB 3.43Å; H8-A10 VanDerWaalsContact ND1-CB 3.33Å; H8-A10 WeakPolarHBondContact ND1-CB 3.26Å; H8-A10 PolarHBondContact ND1-N 3.37Å; H8-A10 VanDerWaalsContact ND1-N 3.12Å; H8-A10 PolarHBondContact O-N 2.85Å; H8-A11 HydrophobicContact CB-CB 4.04Å; H8-A11 WeakPolarHBondContact O-CB 3.44Å; H8-A11 PolarHBondContact O-N 3.25Å; H8-K12 PolarHBondContact O-N 2.94Å; H8-K12 VanDerWaalsContact O-N 3.07Å |
| 9 | P | 94 | Very high | 86.1 | Confident | 94 Ų | 94 | 86.7 Ų | 86.7 | 61% | 0.61 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.3 | -40.3 | -177.1 | 22.3 | -32.6 | 0 | 0 | 0 | 112.7 | A11 K12 S13 | P9-A11 VanDerWaalsContact C-N 3.28Å; P9-A11 PolarHBondContact O-N 3.36Å; P9-K12 WeakPolarHBondContact O-CB 3.31Å; P9-K12 PolarHBondContact O-N 3.02Å; P9-K12 VanDerWaalsContact O-N 3.14Å; P9-S13 PolarHBondContact O-N 3.45Å; P9-S13 PolarHBondContact O-OG 3.15Å |
| 10 | A | 91.4 | Very high | 86.1 | Confident | 52 Ų | 52 | 88.7 Ų | 88.7 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -32.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H8 K12 S13 V14 | H8-A10 VanDerWaalsContact C-N 3.34Å; H8-A10 WeakPolarHBondContact CE1-CB 3.43Å; H8-A10 VanDerWaalsContact ND1-CB 3.33Å; H8-A10 WeakPolarHBondContact ND1-CB 3.26Å; H8-A10 PolarHBondContact ND1-N 3.37Å; H8-A10 VanDerWaalsContact ND1-N 3.12Å; H8-A10 PolarHBondContact O-N 2.85Å; A10-K12 VanDerWaalsContact C-N 3.35Å; A10-S13 PolarHBondContact O-N 3.41Å; A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.32Å |
| 11 | A | 90.7 | Very high | 86.2 | Confident | 35 Ų | 35 | 87.8 Ų | 87.8 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.8 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V6 H8 P9 S13 V14 I15 | V6-A11 HydrophobicContact CB-CB 4.05Å; V6-A11 HydrophobicContact CG2-CB 3.74Å; H8-A11 HydrophobicContact CB-CB 4.04Å; H8-A11 WeakPolarHBondContact O-CB 3.44Å; H8-A11 PolarHBondContact O-N 3.25Å; P9-A11 VanDerWaalsContact C-N 3.28Å; P9-A11 PolarHBondContact O-N 3.36Å; A11-S13 VanDerWaalsContact C-N 3.35Å; A11-V14 PolarHBondContact O-N 3.32Å; A11-I15 WeakPolarHBondContact O-CG1 3.45Å; A11-I15 PolarHBondContact O-N 2.99Å |
| 12 | K | 92.3 | Very high | 87.3 | Confident | 123 Ų | 123 | 84.7 Ų | 84.7 | 54% | 0.535 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 171.8 | -64.7 | -173.4 | -179.3 | -177.1 | 0 | 111.1 | V6 H8 P9 A10 V14 I15 E16 | V6-K12 HydrophobicContact CG2-CB 4.31Å; V6-K12 HydrophobicContact CG2-CG 3.55Å; V6-K12 WeakPolarHBondContact O-CE 3.33Å; H8-K12 PolarHBondContact O-N 2.94Å; H8-K12 VanDerWaalsContact O-N 3.07Å; P9-K12 WeakPolarHBondContact O-CB 3.31Å; P9-K12 PolarHBondContact O-N 3.02Å; P9-K12 VanDerWaalsContact O-N 3.14Å; A10-K12 VanDerWaalsContact C-N 3.35Å; K12-V14 PolarHBondContact O-N 3.3Å; K12-I15 PolarHBondContact O-N 3.45Å; K12-E16 PolarHBondContact O-N 3.24Å |
| 13 | S | 91.7 | Very high | 88.3 | Confident | 60 Ų | 60 | 89.4 Ų | 89.4 | 42% | 0.42 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | P9 A10 A11 I15 E16 I17 | P9-S13 PolarHBondContact O-N 3.45Å; P9-S13 PolarHBondContact O-OG 3.15Å; A10-S13 PolarHBondContact O-N 3.41Å; A11-S13 VanDerWaalsContact C-N 3.35Å; S13-I15 PolarHBondContact O-N 2.93Å; S13-E16 WeakPolarHBondContact O-CB 3.38Å; S13-E16 PolarHBondContact O-N 2.96Å; S13-I17 VanDerWaalsContact O-CG1 3.25Å; S13-I17 WeakPolarHBondContact O-CG1 3.43Å; S13-I17 PolarHBondContact O-N 3.03Å |
| 14 | V | 90 | Very high | 88.8 | Confident | 65 Ų | 65 | 87.6 Ų | 87.6 | 39% | 0.394 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 176 | 170 | 0 | 0 | 0 | 0 | 111.6 | A10 A11 K12 E16 I17 S18 F35 | A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.32Å; A11-V14 PolarHBondContact O-N 3.32Å; K12-V14 PolarHBondContact O-N 3.3Å; V14-E16 VanDerWaalsContact C-N 3.33Å; V14-E16 PolarHBondContact O-N 3.38Å; V14-I17 PolarHBondContact O-N 3.42Å; V14-S18 WeakPolarHBondContact O-CB 3.49Å; V14-S18 PolarHBondContact O-N 3.31Å; V14-S18 PolarHBondContact O-OG 3.3Å; V14-F35 HydrophobicContact CG1-CD1 3.86Å; V14-F35 HydrophobicContact CG1-CE1 3.82Å; V14-F35 HydrophobicContact CG1-CG 4.44Å; V14-F35 HydrophobicContact CG1-CZ 4.35Å |
| 15 | I | 89.1 | Confident | 88.5 | Confident | 23 Ų | 23 | 85.5 Ų | 85.5 | 12% | 0.118 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 175.3 | -67.2 | 171.4 | 0 | 0 | 0 | 110.7 | M1 V6 A11 K12 S13 S18 R19 | M1-I15 HydrophobicContact CE-CG1 4.39Å; M1-I15 HydrophobicContact CE-CG2 4.42Å; V6-I15 HydrophobicContact CB-CD1 4.4Å; V6-I15 HydrophobicContact CG1-CD1 3.78Å; V6-I15 HydrophobicContact CG2-CD1 3.66Å; A11-I15 WeakPolarHBondContact O-CG1 3.45Å; A11-I15 PolarHBondContact O-N 2.99Å; K12-I15 PolarHBondContact O-N 3.45Å; S13-I15 PolarHBondContact O-N 2.93Å; I15-S18 WeakPolarHBondContact O-CB 3.36Å; I15-S18 PolarHBondContact O-N 3.4Å; I15-R19 WeakPolarHBondContact O-CG 3.43Å; I15-R19 PolarHBondContact O-N 2.89Å; I15-R19 VanDerWaalsContact O-N 3.09Å |
| 16 | E | 87.8 | Confident | 87.9 | Confident | 92 Ų | 92 | 88 Ų | 88 | 43% | 0.43 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 177.8 | -155.7 | -170.3 | 156.3 | 0 | 0 | 111.7 | K12 S13 V14 S18 R19 Y20 | K12-E16 PolarHBondContact O-N 3.24Å; S13-E16 WeakPolarHBondContact O-CB 3.38Å; S13-E16 PolarHBondContact O-N 2.96Å; V14-E16 VanDerWaalsContact C-N 3.33Å; V14-E16 PolarHBondContact O-N 3.38Å; E16-S18 VanDerWaalsContact C-N 3.28Å; E16-S18 PolarHBondContact O-N 2.96Å; E16-R19 WeakPolarHBondContact O-CB 3.47Å; E16-R19 PolarHBondContact O-N 3.34Å; E16-R19 VanDerWaalsContact O-N 3.12Å; E16-Y20 HydrophobicContact CG-CE2 3.82Å; E16-Y20 WeakPolarHBondContact O-CD2 3.49Å; E16-Y20 PolarHBondContact O-N 3.46Å; E16-Y20 PolarHBondContact OE1-OH 3.44Å |
| 17 | I | 89.4 | Confident | 87.6 | Confident | 74 Ų | 74 | 90.2 Ų | 90.2 | 38% | 0.379 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.3 | -43.3 | 174.2 | -65.2 | 163.1 | 0 | 0 | 0 | 110.5 | S13 V14 R19 Y20 F21 F35 | S13-I17 VanDerWaalsContact O-CG1 3.25Å; S13-I17 WeakPolarHBondContact O-CG1 3.43Å; S13-I17 PolarHBondContact O-N 3.03Å; V14-I17 PolarHBondContact O-N 3.42Å; I17-R19 VanDerWaalsContact C-N 3.26Å; I17-R19 PolarHBondContact O-N 3.42Å; I17-Y20 PolarHBondContact O-N 3.17Å; I17-F21 HydrophobicContact CG2-CD1 4.33Å; I17-F21 HydrophobicContact CG2-CD2 4Å; I17-F21 HydrophobicContact CG2-CE1 4.06Å; I17-F21 HydrophobicContact CG2-CE2 3.69Å; I17-F21 HydrophobicContact CG2-CG 4.32Å; I17-F21 HydrophobicContact CG2-CZ 3.73Å; I17-F21 PolarHBondContact O-N 3.19Å; I17-F35 HydrophobicContact CB-CE1 4.38Å; I17-F35 HydrophobicContact CB-CZ 4.32Å; I17-F35 HydrophobicContact CG2-CE1 4Å; I17-F35 HydrophobicContact CG2-CZ 3.93Å |
| 18 | S | 88.5 | Confident | 87 | Confident | 12 Ų | 12 | 94.2 Ų | 94.2 | 8% | 0.084 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58 | -39.1 | 178.3 | -58.3 | 0 | 0 | 0 | 0 | 112 | V14 I15 E16 F21 L22 F35 | V14-S18 WeakPolarHBondContact O-CB 3.49Å; V14-S18 PolarHBondContact O-N 3.31Å; V14-S18 PolarHBondContact O-OG 3.3Å; I15-S18 WeakPolarHBondContact O-CB 3.36Å; I15-S18 PolarHBondContact O-N 3.4Å; E16-S18 VanDerWaalsContact C-N 3.28Å; E16-S18 PolarHBondContact O-N 2.96Å; S18-F21 PolarHBondContact O-N 3.05Å; S18-L22 WeakPolarHBondContact O-CB 3.22Å; S18-L22 WeakPolarHBondContact O-CD1 3.24Å; S18-L22 VanDerWaalsContact O-CG 3.22Å; S18-L22 WeakPolarHBondContact O-CG 3.42Å; S18-L22 PolarHBondContact O-N 2.87Å; S18-F35 WeakPolarHBondContact OG-CE2 3.42Å; S18-F35 WeakPolarHBondContact OG-CZ 3.25Å |
| 19 | R | 86.4 | Confident | 86.7 | Confident | 105 Ų | 105 | 94.8 Ų | 94.8 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | 177.2 | -69.5 | 172.7 | 180 | 141.4 | -6.6 | 111.9 | D3 I15 E16 I17 | D3-R19 IonicContact OD1-NH2 3.48Å; D3-R19 PolarHBondContact OD1-NH2 3.44Å; I15-R19 WeakPolarHBondContact O-CG 3.43Å; I15-R19 PolarHBondContact O-N 2.89Å; I15-R19 VanDerWaalsContact O-N 3.09Å; E16-R19 WeakPolarHBondContact O-CB 3.47Å; E16-R19 PolarHBondContact O-N 3.34Å; E16-R19 VanDerWaalsContact O-N 3.12Å; I17-R19 VanDerWaalsContact C-N 3.26Å; I17-R19 PolarHBondContact O-N 3.42Å |
| 20 | Y | 87.4 | Confident | 86.3 | Confident | 125 Ų | 125 | 95.2 Ų | 95.2 | 49% | 0.49 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.8 | -45.3 | 173.6 | -66.5 | -71.9 | 0 | 0 | 0 | 111.4 | E16 I17 L22 R23 | E16-Y20 HydrophobicContact CG-CE2 3.82Å; E16-Y20 WeakPolarHBondContact O-CD2 3.49Å; E16-Y20 PolarHBondContact O-N 3.46Å; E16-Y20 PolarHBondContact OE1-OH 3.44Å; I17-Y20 PolarHBondContact O-N 3.17Å; Y20-L22 VanDerWaalsContact C-N 3.35Å; Y20-L22 PolarHBondContact O-N 3.16Å; Y20-R23 WeakPolarHBondContact O-CB 3.32Å; Y20-R23 PolarHBondContact O-N 2.96Å |
| 21 | F | 86.5 | Confident | 86.1 | Confident | 70 Ų | 70 | 93.2 Ų | 93.2 | 31% | 0.307 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 177.9 | -74.1 | -4.3 | 0 | 0 | 0 | 112.9 | I17 S18 R23 S24 I25 I31 F35 | I17-F21 HydrophobicContact CG2-CD1 4.33Å; I17-F21 HydrophobicContact CG2-CD2 4Å; I17-F21 HydrophobicContact CG2-CE1 4.06Å; I17-F21 HydrophobicContact CG2-CE2 3.69Å; I17-F21 HydrophobicContact CG2-CG 4.32Å; I17-F21 HydrophobicContact CG2-CZ 3.73Å; I17-F21 PolarHBondContact O-N 3.19Å; S18-F21 PolarHBondContact O-N 3.05Å; F21-R23 PolarHBondContact O-N 3.33Å; F21-R23 VanDerWaalsContact O-N 3.1Å; F21-S24 PolarHBondContact O-N 3.02Å; F21-I25 HydrophobicContact CB-CD1 4.44Å; F21-I25 HydrophobicContact CG-CD1 4.47Å; F21-I25 PolarHBondContact O-N 3.14Å; F21-I31 HydrophobicContact CB-CD1 4.3Å; F21-I31 HydrophobicContact CB-CG1 4.3Å; F21-I31 HydrophobicContact CB-CG2 4.24Å; F21-F35 HydrophobicContact CD2-CE2 4.28Å; F21-F35 AromaticContact CD2-CZ 3.96Å; F21-F35 HydrophobicContact CD2-CZ 3.96Å; F21-F35 HydrophobicContact CE2-CZ 4.27Å |
| 22 | L | 84.7 | Confident | 86 | Confident | 60 Ų | 60 | 96.8 Ų | 96.8 | 31% | 0.314 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.4 | -19.8 | 174.8 | -77.3 | 166.3 | 0 | 0 | 0 | 113.9 | M1 S18 Y20 R28 I31 | M1-L22 HydrophobicContact SD-CD1 4.42Å; S18-L22 WeakPolarHBondContact O-CB 3.22Å; S18-L22 WeakPolarHBondContact O-CD1 3.24Å; S18-L22 VanDerWaalsContact O-CG 3.22Å; S18-L22 WeakPolarHBondContact O-CG 3.42Å; S18-L22 PolarHBondContact O-N 2.87Å; Y20-L22 VanDerWaalsContact C-N 3.35Å; Y20-L22 PolarHBondContact O-N 3.16Å; L22-R28 HydrophobicContact CD2-CG 4.39Å; L22-I31 HydrophobicContact CB-CD1 4.4Å; L22-I31 HydrophobicContact CD2-CD1 3.56Å; L22-I31 HydrophobicContact CG-CD1 3.85Å |
| 23 | R | 85.5 | Confident | 86 | Confident | 200 Ų | 200 | 92.7 Ų | 92.7 | 76% | 0.755 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -81.7 | -29.3 | 174.9 | -65.5 | 173.9 | 179.2 | 173.3 | 0.3 | 112.4 | Y20 F21 | Y20-R23 WeakPolarHBondContact O-CB 3.32Å; Y20-R23 PolarHBondContact O-N 2.96Å; F21-R23 PolarHBondContact O-N 3.33Å; F21-R23 VanDerWaalsContact O-N 3.1Å |
| 24 | S | 83.9 | Confident | 85.9 | Confident | 102 Ų | 102 | 92.1 Ų | 92.1 | 71% | 0.713 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -103.4 | -43.8 | -174.3 | -56.5 | 0 | 0 | 0 | 0 | 112.9 | F21 | F21-S24 PolarHBondContact O-N 3.02Å |
| 25 | I | 77.5 | Confident | 86 | Confident | 50 Ų | 50 | 91 Ų | 91 | 26% | 0.256 | 42% | 0.424 | S | S | . | . | trans | -93.3 | 121.2 | 179 | -59.4 | 174.2 | 0 | 0 | 0 | 108.1 | F21 E30 I31 | F21-I25 HydrophobicContact CB-CD1 4.44Å; F21-I25 HydrophobicContact CG-CD1 4.47Å; F21-I25 PolarHBondContact O-N 3.14Å; I25-E30 HydrophobicContact CG2-CB 4.02Å; I25-E30 VanDerWaalsContact CG2-OE2 3.31Å; I25-E30 WeakPolarHBondContact CG2-OE2 3.31Å; I25-I31 HydrophobicContact CB-CD1 4.01Å; I25-I31 HydrophobicContact CB-CG1 3.78Å; I25-I31 HydrophobicContact CD1-CG1 4.22Å; I25-I31 HydrophobicContact CG2-CD1 4.15Å; I25-I31 HydrophobicContact CG2-CG1 3.61Å | ||
| 26 | R | 73.5 | Confident | 86.3 | Confident | 244 Ų | 244 | 94 Ų | 94 | 92% | 0.921 | 44% | 0.44 | S | S | * | . | trans | -82.1 | -26.5 | -176.3 | -67.2 | -177.5 | 175.4 | -173.7 | -0.5 | 112.9 | ||||
| 27 | I | 83 | Confident | 86.6 | Confident | 87 Ų | 87 | 94.9 Ų | 94.9 | 45% | 0.446 | 44% | 0.444 | S | S | . | . | trans | -96.3 | 112.8 | -173.1 | -60.2 | 166.7 | 0 | 0 | 0 | 108.9 | I29 E30 I31 | I27-I29 HydrophobicContact CG2-CB 4.11Å; I27-I29 PolarHBondContact O-N 2.97Å; I27-E30 HydrophobicContact CB-CG 4.01Å; I27-E30 WeakPolarHBondContact CD1-OE1 3.42Å; I27-E30 HydrophobicContact CG2-CG 3.96Å; I27-E30 PolarHBondContact O-N 3.36Å; I27-I31 PolarHBondContact O-N 2.71Å | ||
| 28 | R | 80.2 | Confident | 86.7 | Confident | 185 Ų | 185 | 93.9 Ų | 93.9 | 70% | 0.698 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.5 | -29 | -176.9 | -60.6 | -175.9 | -165.3 | -81.8 | -1.9 | 113.3 | L22 I31 L32 | L22-R28 HydrophobicContact CD2-CG 4.39Å; R28-I31 PolarHBondContact O-N 3.05Å; R28-L32 PolarHBondContact O-N 3.3Å; R28-L32 VanDerWaalsContact O-N 3.11Å |
| 29 | I | 86.8 | Confident | 87 | Confident | 133 Ų | 133 | 96 Ų | 96 | 68% | 0.682 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65 | -44.6 | 179.9 | -63.3 | 171.3 | 0 | 0 | 0 | 110.3 | I27 I31 L32 A33 | I27-I29 HydrophobicContact CG2-CB 4.11Å; I27-I29 PolarHBondContact O-N 2.97Å; I29-I31 VanDerWaalsContact C-N 3.3Å; I29-I31 PolarHBondContact O-N 3.43Å; I29-L32 PolarHBondContact O-N 3.35Å; I29-L32 VanDerWaalsContact O-N 3.15Å; I29-A33 WeakPolarHBondContact O-CB 3.21Å; I29-A33 PolarHBondContact O-N 2.92Å |
| 30 | E | 86 | Confident | 87.5 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 48% | 0.477 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 178.1 | -65.2 | 172.8 | 174.2 | 0 | 0 | 111.6 | I25 I27 A33 C34 | I25-E30 HydrophobicContact CG2-CB 4.02Å; I25-E30 VanDerWaalsContact CG2-OE2 3.31Å; I25-E30 WeakPolarHBondContact CG2-OE2 3.31Å; I27-E30 HydrophobicContact CB-CG 4.01Å; I27-E30 WeakPolarHBondContact CD1-OE1 3.42Å; I27-E30 HydrophobicContact CG2-CG 3.96Å; I27-E30 PolarHBondContact O-N 3.36Å; E30-A33 PolarHBondContact O-N 2.85Å; E30-C34 WeakPolarHBondContact O-CB 3.19Å; E30-C34 PolarHBondContact O-N 3.23Å |
| 31 | I | 87.4 | Confident | 87.8 | Confident | 10 Ų | 10 | 95.4 Ų | 95.4 | 5% | 0.051 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 175.8 | -60.6 | 174.6 | 0 | 0 | 0 | 110.4 | F21 L22 I25 I27 R28 I29 C34 F35 | F21-I31 HydrophobicContact CB-CD1 4.3Å; F21-I31 HydrophobicContact CB-CG1 4.3Å; F21-I31 HydrophobicContact CB-CG2 4.24Å; L22-I31 HydrophobicContact CB-CD1 4.4Å; L22-I31 HydrophobicContact CD2-CD1 3.56Å; L22-I31 HydrophobicContact CG-CD1 3.85Å; I25-I31 HydrophobicContact CB-CD1 4.01Å; I25-I31 HydrophobicContact CB-CG1 3.78Å; I25-I31 HydrophobicContact CD1-CG1 4.22Å; I25-I31 HydrophobicContact CG2-CD1 4.15Å; I25-I31 HydrophobicContact CG2-CG1 3.61Å; I27-I31 PolarHBondContact O-N 2.71Å; R28-I31 PolarHBondContact O-N 3.05Å; I29-I31 VanDerWaalsContact C-N 3.3Å; I29-I31 PolarHBondContact O-N 3.43Å; I31-C34 PolarHBondContact O-N 2.84Å; I31-F35 HydrophobicContact CG2-CD2 3.95Å; I31-F35 HydrophobicContact CG2-CE2 3.52Å; I31-F35 WeakPolarHBondContact O-CD2 3.49Å; I31-F35 PolarHBondContact O-N 3.42Å |
| 32 | L | 89.2 | Confident | 88.1 | Confident | 110 Ų | 110 | 97.6 Ų | 97.6 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 178.1 | 177.7 | 62.5 | 0 | 0 | 0 | 111.5 | R28 I29 C34 F35 I36 | R28-L32 PolarHBondContact O-N 3.3Å; R28-L32 VanDerWaalsContact O-N 3.11Å; I29-L32 PolarHBondContact O-N 3.35Å; I29-L32 VanDerWaalsContact O-N 3.15Å; L32-C34 PolarHBondContact O-N 3.03Å; L32-F35 PolarHBondContact O-N 3.02Å; L32-I36 HydrophobicContact CD1-CD1 4.24Å; L32-I36 HydrophobicContact CG-CD1 4.01Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 3.35Å; L32-I36 VanDerWaalsContact O-N 3.1Å |
| 33 | A | 91.8 | Very high | 88.6 | Confident | 38 Ų | 38 | 99.1 Ų | 99.1 | 31% | 0.314 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I29 E30 F35 I36 E37 | I29-A33 WeakPolarHBondContact O-CB 3.21Å; I29-A33 PolarHBondContact O-N 2.92Å; E30-A33 PolarHBondContact O-N 2.85Å; A33-F35 VanDerWaalsContact C-N 3.28Å; A33-F35 PolarHBondContact O-N 3.14Å; A33-I36 WeakPolarHBondContact O-CB 3.37Å; A33-I36 PolarHBondContact O-N 3.12Å; A33-E37 WeakPolarHBondContact O-CG 3.36Å; A33-E37 PolarHBondContact O-N 3.02Å |
| 34 | C | 90.4 | Very high | 89.1 | Confident | 48 Ų | 48 | 92.6 Ų | 92.6 | 32% | 0.324 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.6 | -39 | 177.5 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | E30 I31 L32 A38 | E30-C34 WeakPolarHBondContact O-CB 3.19Å; E30-C34 PolarHBondContact O-N 3.23Å; I31-C34 PolarHBondContact O-N 2.84Å; L32-C34 PolarHBondContact O-N 3.03Å; C34-A38 WeakPolarHBondContact O-CB 2.98Å; C34-A38 PolarHBondContact O-N 3.45Å |
| 35 | F | 92.2 | Very high | 89.6 | Confident | 41 Ų | 41 | 88.6 Ų | 88.6 | 18% | 0.18 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -70.8 | -34.8 | 176.4 | -75.1 | -59.5 | 0 | 0 | 0 | 113.5 | V14 I17 S18 F21 I31 L32 A33 A39 | V14-F35 HydrophobicContact CG1-CD1 3.86Å; V14-F35 HydrophobicContact CG1-CE1 3.82Å; V14-F35 HydrophobicContact CG1-CG 4.44Å; V14-F35 HydrophobicContact CG1-CZ 4.35Å; I17-F35 HydrophobicContact CB-CE1 4.38Å; I17-F35 HydrophobicContact CB-CZ 4.32Å; I17-F35 HydrophobicContact CG2-CE1 4Å; I17-F35 HydrophobicContact CG2-CZ 3.93Å; S18-F35 WeakPolarHBondContact OG-CE2 3.42Å; S18-F35 WeakPolarHBondContact OG-CZ 3.25Å; F21-F35 HydrophobicContact CD2-CE2 4.28Å; F21-F35 AromaticContact CD2-CZ 3.96Å; F21-F35 HydrophobicContact CD2-CZ 3.96Å; F21-F35 HydrophobicContact CE2-CZ 4.27Å; I31-F35 HydrophobicContact CG2-CD2 3.95Å; I31-F35 HydrophobicContact CG2-CE2 3.52Å; I31-F35 WeakPolarHBondContact O-CD2 3.49Å; I31-F35 PolarHBondContact O-N 3.42Å; L32-F35 PolarHBondContact O-N 3.02Å; A33-F35 VanDerWaalsContact C-N 3.28Å; A33-F35 PolarHBondContact O-N 3.14Å; F35-A39 WeakPolarHBondContact O-CB 3.42Å; F35-A39 PolarHBondContact O-N 3.48Å; F35-A39 VanDerWaalsContact O-N 3.07Å |
| 36 | I | 93.7 | Very high | 90.3 | Very high | 86 Ų | 86 | 92 Ų | 92 | 44% | 0.441 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.1 | -49.3 | 174.6 | -67.2 | 166.7 | 0 | 0 | 0 | 109.3 | L32 A33 A38 A39 E40 | L32-I36 HydrophobicContact CD1-CD1 4.24Å; L32-I36 HydrophobicContact CG-CD1 4.01Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 3.35Å; L32-I36 VanDerWaalsContact O-N 3.1Å; A33-I36 WeakPolarHBondContact O-CB 3.37Å; A33-I36 PolarHBondContact O-N 3.12Å; I36-A38 PolarHBondContact O-N 3.32Å; I36-A39 WeakPolarHBondContact O-CB 3.33Å; I36-A39 PolarHBondContact O-N 3.32Å; I36-A39 VanDerWaalsContact O-N 3.09Å; I36-E40 HydrophobicContact CG2-CG 4.5Å; I36-E40 WeakPolarHBondContact O-CG 3.39Å; I36-E40 PolarHBondContact O-N 3.33Å |
| 37 | E | 94 | Very high | 91.2 | Very high | 111 Ų | 111 | 83.4 Ų | 83.4 | 52% | 0.519 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 177.7 | -69.1 | 168.6 | 177.9 | 0 | 0 | 111.8 | A33 A39 E40 I41 | A33-E37 WeakPolarHBondContact O-CG 3.36Å; A33-E37 PolarHBondContact O-N 3.02Å; E37-A39 VanDerWaalsContact C-N 3.31Å; E37-A39 PolarHBondContact O-N 3.38Å; E37-E40 WeakPolarHBondContact O-CB 3.35Å; E37-E40 PolarHBondContact O-N 3.1Å; E37-I41 WeakPolarHBondContact O-CG1 3.47Å; E37-I41 PolarHBondContact O-N 3.49Å |
| 38 | A | 92.9 | Very high | 91.7 | Very high | 52 Ų | 52 | 83.5 Ų | 83.5 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C34 I36 L42 | C34-A38 WeakPolarHBondContact O-CB 2.98Å; C34-A38 PolarHBondContact O-N 3.45Å; I36-A38 PolarHBondContact O-N 3.32Å; A38-L42 WeakPolarHBondContact O-CB 3.47Å; A38-L42 PolarHBondContact O-N 2.98Å |
| 39 | A | 93.9 | Very high | 91.9 | Very high | 58 Ų | 58 | 78.3 Ų | 78.3 | 48% | 0.479 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.6 | -36.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F35 I36 E37 L42 N43 | F35-A39 WeakPolarHBondContact O-CB 3.42Å; F35-A39 PolarHBondContact O-N 3.48Å; F35-A39 VanDerWaalsContact O-N 3.07Å; I36-A39 WeakPolarHBondContact O-CB 3.33Å; I36-A39 PolarHBondContact O-N 3.32Å; I36-A39 VanDerWaalsContact O-N 3.09Å; E37-A39 VanDerWaalsContact C-N 3.31Å; E37-A39 PolarHBondContact O-N 3.38Å; A39-L42 PolarHBondContact O-N 3.29Å; A39-N43 VanDerWaalsContact O-CB 3.31Å; A39-N43 WeakPolarHBondContact O-CB 3.28Å; A39-N43 PolarHBondContact O-N 3.23Å |
| 40 | E | 96.5 | Very high | 92.1 | Very high | 122 Ų | 122 | 80.4 Ų | 80.4 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.7 | -47 | 174.8 | -73.5 | 178.9 | 174 | 0 | 0 | 111.7 | I36 E37 L42 N43 A44 | I36-E40 HydrophobicContact CG2-CG 4.5Å; I36-E40 WeakPolarHBondContact O-CG 3.39Å; I36-E40 PolarHBondContact O-N 3.33Å; E37-E40 WeakPolarHBondContact O-CB 3.35Å; E37-E40 PolarHBondContact O-N 3.1Å; E40-L42 VanDerWaalsContact C-N 3.32Å; E40-L42 PolarHBondContact O-N 2.84Å; E40-N43 WeakPolarHBondContact O-CB 3.35Å; E40-N43 PolarHBondContact O-N 3.31Å; E40-N43 VanDerWaalsContact O-N 3.14Å; E40-A44 WeakPolarHBondContact O-CB 3.42Å; E40-A44 PolarHBondContact O-N 3.11Å |
| 41 | I | 94.8 | Very high | 92.4 | Very high | 94 Ų | 94 | 81.4 Ų | 81.4 | 48% | 0.482 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 174.5 | -66.6 | 167 | 0 | 0 | 0 | 110 | E37 N43 A44 T45 L62 | E37-I41 WeakPolarHBondContact O-CG1 3.47Å; E37-I41 PolarHBondContact O-N 3.49Å; I41-N43 VanDerWaalsContact C-N 3.33Å; I41-N43 PolarHBondContact O-N 3.18Å; I41-A44 WeakPolarHBondContact O-CB 3.37Å; I41-A44 PolarHBondContact O-N 3.23Å; I41-T45 WeakPolarHBondContact O-CG2 3.43Å; I41-T45 PolarHBondContact O-N 2.83Å; I41-T45 VanDerWaalsContact O-N 3.11Å; I41-L62 HydrophobicContact CG2-CD1 4.39Å; I41-L62 HydrophobicContact CG2-CD2 3.93Å |
| 42 | L | 93 | Very high | 92.4 | Very high | 117 Ų | 117 | 88.2 Ų | 88.2 | 61% | 0.613 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | 177.1 | -177 | 61.6 | 0 | 0 | 0 | 111.7 | A38 A39 E40 A44 T45 | A38-L42 WeakPolarHBondContact O-CB 3.47Å; A38-L42 PolarHBondContact O-N 2.98Å; A39-L42 PolarHBondContact O-N 3.29Å; E40-L42 VanDerWaalsContact C-N 3.32Å; E40-L42 PolarHBondContact O-N 2.84Å; L42-A44 VanDerWaalsContact C-N 3.34Å; L42-T45 PolarHBondContact O-N 3.41Å; L42-T45 PolarHBondContact O-OG1 3.42Å |
| 43 | N | 95.1 | Very high | 92.6 | Very high | 92 Ų | 92 | 86 Ų | 86 | 49% | 0.492 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 176.8 | -171.7 | 62.1 | 0 | 0 | 0 | 112 | A39 E40 I41 T45 K46 | A39-N43 VanDerWaalsContact O-CB 3.31Å; A39-N43 WeakPolarHBondContact O-CB 3.28Å; A39-N43 PolarHBondContact O-N 3.23Å; E40-N43 WeakPolarHBondContact O-CB 3.35Å; E40-N43 PolarHBondContact O-N 3.31Å; E40-N43 VanDerWaalsContact O-N 3.14Å; I41-N43 VanDerWaalsContact C-N 3.33Å; I41-N43 PolarHBondContact O-N 3.18Å; N43-T45 PolarHBondContact O-N 3.14Å; N43-K46 WeakPolarHBondContact O-CB 3.34Å; N43-K46 WeakPolarHBondContact O-CG 3.38Å; N43-K46 PolarHBondContact O-N 3.44Å; N43-K46 WeakPolarHBondContact OD1-CD 3.49Å; N43-K46 VanDerWaalsContact OD1-CE 3.28Å; N43-K46 WeakPolarHBondContact OD1-CE 3.44Å; N43-K46 PolarHBondContact OD1-NZ 3.29Å |
| 44 | A | 95.1 | Very high | 92.8 | Very high | 63 Ų | 63 | 89.7 Ų | 89.7 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.5 | -25.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E40 I41 L42 P47 | E40-A44 WeakPolarHBondContact O-CB 3.42Å; E40-A44 PolarHBondContact O-N 3.11Å; I41-A44 WeakPolarHBondContact O-CB 3.37Å; I41-A44 PolarHBondContact O-N 3.23Å; L42-A44 VanDerWaalsContact C-N 3.34Å; A44-P47 WeakPolarHBondContact O-CD 3.39Å |
| 45 | T | 94.1 | Very high | 93 | Very high | 18 Ų | 18 | 90.9 Ų | 90.9 | 11% | 0.11 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -81.8 | -15 | 178 | 70.5 | 0 | 0 | 0 | 0 | 114.6 | I41 L42 N43 F48 S49 I58 L62 | I41-T45 WeakPolarHBondContact O-CG2 3.43Å; I41-T45 PolarHBondContact O-N 2.83Å; I41-T45 VanDerWaalsContact O-N 3.11Å; L42-T45 PolarHBondContact O-N 3.41Å; L42-T45 PolarHBondContact O-OG1 3.42Å; N43-T45 PolarHBondContact O-N 3.14Å; T45-F48 WeakPolarHBondContact O-CB 3.1Å; T45-F48 PolarHBondContact O-N 2.85Å; T45-S49 PolarHBondContact O-N 3.02Å; T45-I58 HydrophobicContact CG2-CG2 3.89Å; T45-L62 HydrophobicContact CG2-CD1 3.89Å; T45-L62 HydrophobicContact CG2-CD2 4.26Å; T45-L62 HydrophobicContact CG2-CG 4.49Å |
| 46 | K | 92 | Very high | 93.2 | Very high | 120 Ų | 120 | 91.9 Ų | 91.9 | 52% | 0.522 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -53.7 | -39.2 | -177.7 | -69.8 | 177.5 | -179.6 | 168.8 | 0 | 114.5 | N43 F48 S49 K50 | N43-K46 WeakPolarHBondContact O-CB 3.34Å; N43-K46 WeakPolarHBondContact O-CG 3.38Å; N43-K46 PolarHBondContact O-N 3.44Å; N43-K46 WeakPolarHBondContact OD1-CD 3.49Å; N43-K46 VanDerWaalsContact OD1-CE 3.28Å; N43-K46 WeakPolarHBondContact OD1-CE 3.44Å; N43-K46 PolarHBondContact OD1-NZ 3.29Å; K46-F48 VanDerWaalsContact C-N 3.32Å; K46-F48 PolarHBondContact O-N 2.75Å; K46-S49 WeakPolarHBondContact O-CB 2.86Å; K46-S49 PolarHBondContact O-N 3.38Å; K46-K50 PolarHBondContact O-N 3.06Å |
| 47 | P | 93.7 | Very high | 93.3 | Very high | 65 Ų | 65 | 93 Ų | 93 | 42% | 0.422 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -36.9 | 176.8 | -22.9 | 35.6 | 0 | 0 | 0 | 113 | A44 S49 K50 Q51 | A44-P47 WeakPolarHBondContact O-CD 3.39Å; P47-S49 VanDerWaalsContact C-N 3.3Å; P47-S49 PolarHBondContact O-N 3.08Å; P47-K50 WeakPolarHBondContact O-CB 3.38Å; P47-K50 PolarHBondContact O-N 3.42Å; P47-Q51 WeakPolarHBondContact O-CG 3.09Å; P47-Q51 PolarHBondContact O-N 3.27Å; P47-Q51 VanDerWaalsContact O-N 3.16Å |
| 48 | F | 93.6 | Very high | 93.4 | Very high | 89 Ų | 89 | 88.8 Ų | 88.8 | 39% | 0.39 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -34.7 | 179 | -53.6 | -52.5 | 0 | 0 | 0 | 111.8 | T45 K46 K50 Q51 I53 I58 | T45-F48 WeakPolarHBondContact O-CB 3.1Å; T45-F48 PolarHBondContact O-N 2.85Å; K46-F48 VanDerWaalsContact C-N 3.32Å; K46-F48 PolarHBondContact O-N 2.75Å; F48-K50 VanDerWaalsContact C-N 3.29Å; F48-K50 PolarHBondContact O-N 3.06Å; F48-Q51 PolarHBondContact O-N 3.12Å; F48-I53 HydrophobicContact CB-CD1 4.03Å; F48-I53 HydrophobicContact CD1-CD1 4.2Å; F48-I53 HydrophobicContact CG-CD1 4.49Å; F48-I53 WeakPolarHBondContact O-CB 3.4Å; F48-I53 PolarHBondContact O-N 3.48Å; F48-I58 HydrophobicContact CB-CD1 3.74Å; F48-I58 HydrophobicContact CB-CG1 4.12Å |
| 49 | S | 84.2 | Confident | 93.5 | Very high | 75 Ų | 75 | 90.7 Ų | 90.7 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -32.7 | 171.7 | -174.6 | 0 | 0 | 0 | 0 | 112.5 | T45 K46 P47 Q51 | T45-S49 PolarHBondContact O-N 3.02Å; K46-S49 WeakPolarHBondContact O-CB 2.86Å; K46-S49 PolarHBondContact O-N 3.38Å; P47-S49 VanDerWaalsContact C-N 3.3Å; P47-S49 PolarHBondContact O-N 3.08Å; S49-Q51 VanDerWaalsContact C-N 3.3Å |
| 50 | K | 90.6 | Very high | 93.7 | Very high | 177 Ų | 177 | 95.2 Ų | 95.2 | 77% | 0.77 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -75 | -20 | 175.5 | -64.9 | -178.2 | 179.5 | -178.5 | 0 | 113 | K46 P47 F48 N52 | K46-K50 PolarHBondContact O-N 3.06Å; P47-K50 WeakPolarHBondContact O-CB 3.38Å; P47-K50 PolarHBondContact O-N 3.42Å; F48-K50 VanDerWaalsContact C-N 3.29Å; F48-K50 PolarHBondContact O-N 3.06Å; K50-N52 VanDerWaalsContact C-N 3.26Å; K50-N52 PolarHBondContact O-N 3.36Å |
| 51 | Q | 92.5 | Very high | 93.7 | Very high | 123 Ų | 123 | 92.2 Ų | 92.2 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 11.9 | 177.4 | -66.5 | 174.4 | 20.7 | 0 | 0 | 113 | P47 F48 S49 I53 | P47-Q51 WeakPolarHBondContact O-CG 3.09Å; P47-Q51 PolarHBondContact O-N 3.27Å; P47-Q51 VanDerWaalsContact O-N 3.16Å; F48-Q51 PolarHBondContact O-N 3.12Å; S49-Q51 VanDerWaalsContact C-N 3.3Å; Q51-I53 HydrophobicContact CB-CD1 4.44Å; Q51-I53 HydrophobicContact CB-CG1 4.29Å; Q51-I53 PolarHBondContact O-N 3.2Å |
| 52 | N | 87.4 | Confident | 93.8 | Very high | 154 Ų | 154 | 91.2 Ų | 91.2 | 82% | 0.824 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 24 | -175.8 | -59.3 | -57.4 | 0 | 0 | 0 | 114.4 | K50 H54 | K50-N52 VanDerWaalsContact C-N 3.26Å; K50-N52 PolarHBondContact O-N 3.36Å; N52-H54 PolarHBondContact O-N 2.96Å |
| 53 | I | 93.8 | Very high | 94 | Very high | 62 Ų | 62 | 91.2 Ų | 91.2 | 32% | 0.318 | 47% | 0.474 | S | S | . | . | trans | -73 | 121.2 | 170.2 | -59.7 | 175.9 | 0 | 0 | 0 | 107.8 | F48 Q51 H57 I58 | F48-I53 HydrophobicContact CB-CD1 4.03Å; F48-I53 HydrophobicContact CD1-CD1 4.2Å; F48-I53 HydrophobicContact CG-CD1 4.49Å; F48-I53 WeakPolarHBondContact O-CB 3.4Å; F48-I53 PolarHBondContact O-N 3.48Å; Q51-I53 HydrophobicContact CB-CD1 4.44Å; Q51-I53 HydrophobicContact CB-CG1 4.29Å; Q51-I53 PolarHBondContact O-N 3.2Å; I53-H57 HydrophobicContact CG2-CB 3.92Å; I53-I58 HydrophobicContact CB-CD1 4.5Å; I53-I58 HydrophobicContact CB-CG1 4.35Å; I53-I58 HydrophobicContact CG2-CD1 4.41Å; I53-I58 HydrophobicContact CG2-CG1 3.77Å | ||
| 54 | H | 94.9 | Very high | 94.1 | Very high | 116 Ų | 116 | 89.4 Ų | 89.4 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | trans | -60 | 134.4 | 180 | -173 | -91.1 | 0 | 0 | 0 | 110.5 | N52 V56 H57 | N52-H54 PolarHBondContact O-N 2.96Å; H54-V56 VanDerWaalsContact CE1-CG2 3.43Å; H54-V56 WeakPolarHBondContact CE1-CG2 3.41Å; H54-V56 WeakPolarHBondContact ND1-CB 3.42Å; H54-V56 PolarHBondContact ND1-N 3.46Å; H54-V56 PolarHBondContact O-N 3.25Å; H54-H57 WeakPolarHBondContact O-CB 3.43Å; H54-H57 PolarHBondContact O-N 3.4Å | ||
| 55 | P | 94 | Very high | 94.1 | Very high | 73 Ų | 73 | 92 Ų | 92 | 47% | 0.474 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -53.4 | -33.1 | -173.4 | -30.1 | 35.4 | 0 | 0 | 0 | 114.9 | H57 I58 I59 | P55-H57 VanDerWaalsContact C-N 3.26Å; P55-H57 PolarHBondContact O-N 3.09Å; P55-I58 WeakPolarHBondContact O-CB 3.41Å; P55-I58 PolarHBondContact O-N 3.32Å; P55-I58 VanDerWaalsContact O-N 3.15Å; P55-I59 WeakPolarHBondContact O-CG1 3.3Å; P55-I59 PolarHBondContact O-N 3.44Å |
| 56 | V | 96.6 | Very high | 94.2 | Very high | 62 Ų | 62 | 96.5 Ų | 96.5 | 38% | 0.376 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -34.8 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 112.3 | H54 R60 | H54-V56 VanDerWaalsContact CE1-CG2 3.43Å; H54-V56 WeakPolarHBondContact CE1-CG2 3.41Å; H54-V56 WeakPolarHBondContact ND1-CB 3.42Å; H54-V56 PolarHBondContact ND1-N 3.46Å; H54-V56 PolarHBondContact O-N 3.25Å; V56-R60 WeakPolarHBondContact O-CB 3.36Å; V56-R60 VanDerWaalsContact O-CG 3.26Å; V56-R60 WeakPolarHBondContact O-CG 3.49Å; V56-R60 PolarHBondContact O-N 2.89Å |
| 57 | H | 96.1 | Very high | 94.5 | Very high | 111 Ų | 111 | 95.1 Ų | 95.1 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.8 | -39.3 | 175.7 | -70.4 | -67.9 | 0 | 0 | 0 | 111.7 | I53 H54 P55 R60 A61 | I53-H57 HydrophobicContact CG2-CB 3.92Å; H54-H57 WeakPolarHBondContact O-CB 3.43Å; H54-H57 PolarHBondContact O-N 3.4Å; P55-H57 VanDerWaalsContact C-N 3.26Å; P55-H57 PolarHBondContact O-N 3.09Å; H57-R60 PolarHBondContact O-N 3.05Å; H57-A61 WeakPolarHBondContact O-CB 3.49Å; H57-A61 PolarHBondContact O-N 3.02Å |
| 58 | I | 96 | Very high | 94.6 | Very high | 22 Ų | 22 | 97 Ų | 97 | 11% | 0.113 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 175.7 | -56.6 | 174.3 | 0 | 0 | 0 | 109.7 | T45 F48 I53 P55 R60 A61 L62 | T45-I58 HydrophobicContact CG2-CG2 3.89Å; F48-I58 HydrophobicContact CB-CD1 3.74Å; F48-I58 HydrophobicContact CB-CG1 4.12Å; I53-I58 HydrophobicContact CB-CD1 4.5Å; I53-I58 HydrophobicContact CB-CG1 4.35Å; I53-I58 HydrophobicContact CG2-CD1 4.41Å; I53-I58 HydrophobicContact CG2-CG1 3.77Å; P55-I58 WeakPolarHBondContact O-CB 3.41Å; P55-I58 PolarHBondContact O-N 3.32Å; P55-I58 VanDerWaalsContact O-N 3.15Å; I58-R60 PolarHBondContact O-N 3.32Å; I58-A61 PolarHBondContact O-N 3.09Å; I58-L62 HydrophobicContact CG2-CD1 4.24Å; I58-L62 WeakPolarHBondContact O-CG 3.42Å; I58-L62 PolarHBondContact O-N 2.88Å |
| 59 | I | 95.8 | Very high | 94.7 | Very high | 92 Ų | 92 | 96 Ų | 96 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 179.5 | -66.4 | 164.3 | 0 | 0 | 0 | 111 | P55 A61 L62 Q63 | P55-I59 WeakPolarHBondContact O-CG1 3.3Å; P55-I59 PolarHBondContact O-N 3.44Å; I59-A61 VanDerWaalsContact C-N 3.33Å; I59-A61 PolarHBondContact O-N 2.89Å; I59-L62 PolarHBondContact O-N 2.71Å; I59-Q63 HydrophobicContact CG2-CG 4.46Å; I59-Q63 VanDerWaalsContact O-CG 3.31Å; I59-Q63 WeakPolarHBondContact O-CG 3.43Å; I59-Q63 PolarHBondContact O-N 3.47Å |
| 60 | R | 97.4 | Very high | 95.3 | Very high | 152 Ų | 152 | 95.9 Ų | 95.9 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -40.1 | 177.3 | -76.8 | 174.4 | 175.8 | 168.4 | -0.9 | 112.4 | V56 H57 I58 Q63 A64 | V56-R60 WeakPolarHBondContact O-CB 3.36Å; V56-R60 VanDerWaalsContact O-CG 3.26Å; V56-R60 WeakPolarHBondContact O-CG 3.49Å; V56-R60 PolarHBondContact O-N 2.89Å; H57-R60 PolarHBondContact O-N 3.05Å; I58-R60 PolarHBondContact O-N 3.32Å; R60-Q63 PolarHBondContact O-N 3.07Å; R60-A64 PolarHBondContact O-N 3.39Å |
| 61 | A | 96.4 | Very high | 95.6 | Very high | 60 Ų | 60 | 90.1 Ų | 90.1 | 50% | 0.496 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | H57 I58 I59 Q63 A64 E65 | H57-A61 WeakPolarHBondContact O-CB 3.49Å; H57-A61 PolarHBondContact O-N 3.02Å; I58-A61 PolarHBondContact O-N 3.09Å; I59-A61 VanDerWaalsContact C-N 3.33Å; I59-A61 PolarHBondContact O-N 2.89Å; A61-Q63 VanDerWaalsContact C-N 3.31Å; A61-Q63 PolarHBondContact O-N 3.07Å; A61-A64 PolarHBondContact O-N 2.97Å; A61-E65 WeakPolarHBondContact O-CB 3.31Å; A61-E65 PolarHBondContact O-N 3.39Å |
| 62 | L | 96.9 | Very high | 95.7 | Very high | 73 Ų | 73 | 89.7 Ų | 89.7 | 38% | 0.382 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 175.4 | -68.1 | 173.4 | 0 | 0 | 0 | 112.5 | I41 T45 I58 I59 L66 | I41-L62 HydrophobicContact CG2-CD1 4.39Å; I41-L62 HydrophobicContact CG2-CD2 3.93Å; T45-L62 HydrophobicContact CG2-CD1 3.89Å; T45-L62 HydrophobicContact CG2-CD2 4.26Å; T45-L62 HydrophobicContact CG2-CG 4.49Å; I58-L62 HydrophobicContact CG2-CD1 4.24Å; I58-L62 WeakPolarHBondContact O-CG 3.42Å; I58-L62 PolarHBondContact O-N 2.88Å; I59-L62 PolarHBondContact O-N 2.71Å; L62-L66 VanDerWaalsContact O-CB 3.24Å; L62-L66 WeakPolarHBondContact O-CB 3.4Å; L62-L66 PolarHBondContact O-N 2.94Å |
| 63 | Q | 97.2 | Very high | 96.1 | Very high | 117 Ų | 117 | 85.4 Ų | 85.4 | 55% | 0.547 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 176.7 | -74.1 | 174.9 | -35.3 | 0 | 0 | 112.5 | I59 R60 A61 T67 | I59-Q63 HydrophobicContact CG2-CG 4.46Å; I59-Q63 VanDerWaalsContact O-CG 3.31Å; I59-Q63 WeakPolarHBondContact O-CG 3.43Å; I59-Q63 PolarHBondContact O-N 3.47Å; R60-Q63 PolarHBondContact O-N 3.07Å; A61-Q63 VanDerWaalsContact C-N 3.31Å; A61-Q63 PolarHBondContact O-N 3.07Å; Q63-T67 PolarHBondContact O-N 3.13Å; Q63-T67 VanDerWaalsContact O-N 3.14Å; Q63-T67 PolarHBondContact O-OG1 3.28Å |
| 64 | A | 97.2 | Very high | 96 | Very high | 53 Ų | 53 | 87 Ų | 87 | 44% | 0.438 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -49.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R60 A61 L66 T67 D68 | R60-A64 PolarHBondContact O-N 3.39Å; A61-A64 PolarHBondContact O-N 2.97Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 3.21Å; A64-T67 WeakPolarHBondContact O-CA 3.4Å; A64-T67 WeakPolarHBondContact O-CB 3.08Å; A64-T67 PolarHBondContact O-N 3.12Å; A64-D68 PolarHBondContact O-N 2.78Å |
| 65 | E | 96.5 | Very high | 95.9 | Very high | 119 Ų | 119 | 87.1 Ų | 87.1 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 177.8 | -172.5 | 65 | -159 | 0 | 0 | 111.8 | A61 T67 D68 V69 | A61-E65 WeakPolarHBondContact O-CB 3.31Å; A61-E65 PolarHBondContact O-N 3.39Å; E65-T67 VanDerWaalsContact C-N 3.26Å; E65-T67 PolarHBondContact O-N 3.48Å; E65-D68 PolarHBondContact O-N 2.76Å; E65-V69 HydrophobicContact CG-CG2 4.41Å; E65-V69 VanDerWaalsContact O-CG2 3.31Å; E65-V69 WeakPolarHBondContact O-CG2 3.22Å; E65-V69 PolarHBondContact O-N 2.9Å |
| 66 | L | 96.2 | Very high | 95.8 | Very high | 111 Ų | 111 | 90.1 Ų | 90.1 | 58% | 0.581 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.2 | -38.2 | 176.3 | 179.4 | 62 | 0 | 0 | 0 | 111.8 | L62 A64 V70 | L62-L66 VanDerWaalsContact O-CB 3.24Å; L62-L66 WeakPolarHBondContact O-CB 3.4Å; L62-L66 PolarHBondContact O-N 2.94Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 3.21Å; L66-V70 HydrophobicContact CD1-CG2 4.21Å; L66-V70 WeakPolarHBondContact O-CB 3.02Å; L66-V70 WeakPolarHBondContact O-CG2 3.31Å; L66-V70 PolarHBondContact O-N 2.91Å |
| 67 | T | 97.2 | Very high | 95.3 | Very high | 92 Ų | 92 | 93.2 Ų | 93.2 | 56% | 0.564 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.9 | -43 | 177.4 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | Q63 A64 E65 V70 A71 | Q63-T67 PolarHBondContact O-N 3.13Å; Q63-T67 VanDerWaalsContact O-N 3.14Å; Q63-T67 PolarHBondContact O-OG1 3.28Å; A64-T67 WeakPolarHBondContact O-CA 3.4Å; A64-T67 WeakPolarHBondContact O-CB 3.08Å; A64-T67 PolarHBondContact O-N 3.12Å; E65-T67 VanDerWaalsContact C-N 3.26Å; E65-T67 PolarHBondContact O-N 3.48Å; T67-V70 PolarHBondContact O-N 3.01Å; T67-A71 WeakPolarHBondContact O-CB 3.39Å; T67-A71 PolarHBondContact O-N 3.1Å |
| 68 | D | 97 | Very high | 94.6 | Very high | 103 Ų | 103 | 91.2 Ų | 91.2 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.4 | -42.5 | 178.8 | -68.7 | -16.8 | 0 | 0 | 0 | 111.7 | A64 E65 A71 H72 | A64-D68 PolarHBondContact O-N 2.78Å; E65-D68 PolarHBondContact O-N 2.76Å; D68-A71 PolarHBondContact O-N 2.96Å; D68-H72 WeakPolarHBondContact O-CB 3.41Å; D68-H72 PolarHBondContact O-N 2.91Å |
| 69 | V | 95.6 | Very high | 94.1 | Very high | 68 Ų | 68 | 95.8 Ų | 95.8 | 41% | 0.412 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 175 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | E65 A71 H72 C73 | E65-V69 HydrophobicContact CG-CG2 4.41Å; E65-V69 VanDerWaalsContact O-CG2 3.31Å; E65-V69 WeakPolarHBondContact O-CG2 3.22Å; E65-V69 PolarHBondContact O-N 2.9Å; V69-A71 PolarHBondContact O-N 3.39Å; V69-H72 WeakPolarHBondContact O-CB 3.47Å; V69-H72 PolarHBondContact O-N 3.48Å; V69-C73 PolarHBondContact O-N 3.27Å; V69-C73 PolarHBondContact O-SG 3.39Å |
| 70 | V | 96 | Very high | 93.6 | Very high | 73 Ų | 73 | 95.3 Ų | 95.3 | 44% | 0.442 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 177.6 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | L66 T67 H72 C73 N74 | L66-V70 HydrophobicContact CD1-CG2 4.21Å; L66-V70 WeakPolarHBondContact O-CB 3.02Å; L66-V70 WeakPolarHBondContact O-CG2 3.31Å; L66-V70 PolarHBondContact O-N 2.91Å; T67-V70 PolarHBondContact O-N 3.01Å; V70-H72 VanDerWaalsContact C-N 3.33Å; V70-H72 PolarHBondContact O-N 3.44Å; V70-C73 PolarHBondContact O-N 3.5Å; V70-N74 VanDerWaalsContact O-CG 3.29Å; V70-N74 PolarHBondContact O-N 2.91Å; V70-N74 PolarHBondContact O-ND2 3.24Å; V70-N74 VanDerWaalsContact O-ND2 3.1Å |
| 71 | A | 96.1 | Very high | 93.1 | Very high | 57 Ų | 57 | 91.8 Ų | 91.8 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T67 D68 V69 N74 D75 | T67-A71 WeakPolarHBondContact O-CB 3.39Å; T67-A71 PolarHBondContact O-N 3.1Å; D68-A71 PolarHBondContact O-N 2.96Å; V69-A71 PolarHBondContact O-N 3.39Å; A71-N74 PolarHBondContact O-N 3.03Å; A71-D75 PolarHBondContact O-N 3.23Å |
| 72 | H | 95.9 | Very high | 92.8 | Very high | 113 Ų | 113 | 95.2 Ų | 95.2 | 52% | 0.523 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.1 | -172 | 79.5 | 0 | 0 | 0 | 112.1 | D68 V69 V70 N74 D75 K76 | D68-H72 WeakPolarHBondContact O-CB 3.41Å; D68-H72 PolarHBondContact O-N 2.91Å; V69-H72 WeakPolarHBondContact O-CB 3.47Å; V69-H72 PolarHBondContact O-N 3.48Å; V70-H72 VanDerWaalsContact C-N 3.33Å; V70-H72 PolarHBondContact O-N 3.44Å; H72-N74 VanDerWaalsContact C-N 3.34Å; H72-N74 PolarHBondContact O-N 3.1Å; H72-D75 PolarHBondContact O-N 3.42Å; H72-K76 WeakPolarHBondContact O-CG 3.5Å; H72-K76 PolarHBondContact O-N 3.5Å; H72-K76 VanDerWaalsContact O-N 3.08Å |
| 73 | C | 94.9 | Very high | 92.6 | Very high | 65 Ų | 65 | 98.3 Ų | 98.3 | 44% | 0.439 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.5 | -46.6 | 174.9 | -69.9 | 0 | 0 | 0 | 0 | 110.9 | V69 V70 D75 K76 M77 | V69-C73 PolarHBondContact O-N 3.27Å; V69-C73 PolarHBondContact O-SG 3.39Å; V70-C73 PolarHBondContact O-N 3.5Å; C73-D75 VanDerWaalsContact C-N 3.33Å; C73-D75 PolarHBondContact O-N 3.25Å; C73-K76 PolarHBondContact O-N 3.21Å; C73-K76 VanDerWaalsContact O-N 3.12Å; C73-M77 VanDerWaalsContact O-CG 3.3Å; C73-M77 WeakPolarHBondContact O-CG 3.48Å; C73-M77 PolarHBondContact O-N 3.11Å |
| 74 | N | 93.1 | Very high | 92.4 | Very high | 95 Ų | 95 | 95.2 Ų | 95.2 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61 | -37.2 | 178.3 | -72 | -36.5 | 0 | 0 | 0 | 113.4 | V70 A71 H72 K76 M77 | V70-N74 VanDerWaalsContact O-CG 3.29Å; V70-N74 PolarHBondContact O-N 2.91Å; V70-N74 PolarHBondContact O-ND2 3.24Å; V70-N74 VanDerWaalsContact O-ND2 3.1Å; A71-N74 PolarHBondContact O-N 3.03Å; H72-N74 VanDerWaalsContact C-N 3.34Å; H72-N74 PolarHBondContact O-N 3.1Å; N74-K76 VanDerWaalsContact C-N 3.35Å; N74-M77 HydrophobicContact CB-CE 4.36Å; N74-M77 WeakPolarHBondContact OD1-CE 3.32Å |
| 75 | D | 92.8 | Very high | 92.2 | Very high | 119 Ų | 119 | 99.7 Ų | 99.7 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.8 | -34.4 | 174.9 | 180 | 67.5 | 0 | 0 | 0 | 112.5 | A71 H72 C73 | A71-D75 PolarHBondContact O-N 3.23Å; H72-D75 PolarHBondContact O-N 3.42Å; C73-D75 VanDerWaalsContact C-N 3.33Å; C73-D75 PolarHBondContact O-N 3.25Å |
| 76 | K | 90.8 | Very high | 91.9 | Very high | 136 Ų | 136 | 101 Ų | 101 | 59% | 0.591 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -86.2 | -17.1 | -179.1 | -62.7 | -56.9 | 177.3 | -150.7 | 0 | 114.3 | H72 C73 N74 G78 | H72-K76 WeakPolarHBondContact O-CG 3.5Å; H72-K76 PolarHBondContact O-N 3.5Å; H72-K76 VanDerWaalsContact O-N 3.08Å; C73-K76 PolarHBondContact O-N 3.21Å; C73-K76 VanDerWaalsContact O-N 3.12Å; N74-K76 VanDerWaalsContact C-N 3.35Å; K76-G78 PolarHBondContact O-N 3.15Å; K76-G78 VanDerWaalsContact O-N 3.13Å |
| 77 | M | 87 | Confident | 91.6 | Very high | 127 Ų | 127 | 100.8 Ų | 100.8 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | trans | -66.8 | 111.5 | 176.9 | -78.5 | -165 | -63.8 | 0 | 0 | 110.3 | C73 N74 | C73-M77 VanDerWaalsContact O-CG 3.3Å; C73-M77 WeakPolarHBondContact O-CG 3.48Å; C73-M77 PolarHBondContact O-N 3.11Å; N74-M77 HydrophobicContact CB-CE 4.36Å; N74-M77 WeakPolarHBondContact OD1-CE 3.32Å | ||
| 78 | G | 81.3 | Confident | 91.3 | Very high | 68 Ų | 68 | 99.5 Ų | 99.5 | 70% | 0.701 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 140.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K76 | K76-G78 PolarHBondContact O-N 3.15Å; K76-G78 VanDerWaalsContact O-N 3.13Å |
| 79 | S | 84.4 | Confident | 91.1 | Very high | 118 Ų | 118 | 98.6 Ų | 98.6 | 83% | 0.825 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 135.1 | 167.2 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 80 | I | 85.4 | Confident | 90.9 | Very high | 82 Ų | 82 | 100.2 Ų | 100.2 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -102.7 | 125 | 174.5 | -53.6 | -176.9 | 0 | 0 | 0 | 107.8 | I82 L88 V91 | I80-I82 PolarHBondContact O-N 2.87Å; I80-L88 HydrophobicContact CG2-CD2 4.08Å; I80-V91 HydrophobicContact CD1-CG2 3.56Å |
| 81 | D | 87.7 | Confident | 90.6 | Very high | 78 Ų | 78 | 99.5 Ų | 99.5 | 42% | 0.417 | 54% | 0.541 | S | S | . | . | trans | -78.6 | 114.9 | 173.5 | 179.5 | 9.3 | 0 | 0 | 0 | 109.3 | N83 N84 | D81-N83 PolarHBondContact O-N 3.03Å; D81-N83 WeakPolarHBondContact OD1-CB 3.48Å; D81-N83 PolarHBondContact OD1-N 3.08Å; D81-N83 PolarHBondContact OD1-ND2 2.97Å; D81-N84 HydrophobicContact CB-CB 4.16Å; D81-N84 PolarHBondContact O-N 3.19Å; D81-N84 VanDerWaalsContact O-N 3.08Å | ||
| 82 | I | 90.4 | Very high | 90.3 | Very high | 132 Ų | 132 | 100.1 Ų | 100.1 | 68% | 0.677 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -10.2 | -179.7 | 62.8 | 171.5 | 0 | 0 | 0 | 113.6 | I80 L88 | I80-I82 PolarHBondContact O-N 2.87Å; I82-L88 WeakPolarHBondContact O-CD1 3.32Å |
| 83 | N | 92.7 | Very high | 90.2 | Very high | 139 Ų | 139 | 100 Ų | 100 | 74% | 0.743 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -5.2 | 174.9 | -52.6 | -73.7 | 0 | 0 | 0 | 112.3 | D81 | D81-N83 PolarHBondContact O-N 3.03Å; D81-N83 WeakPolarHBondContact OD1-CB 3.48Å; D81-N83 PolarHBondContact OD1-N 3.08Å; D81-N83 PolarHBondContact OD1-ND2 2.97Å |
| 84 | N | 92.1 | Very high | 90 | Very high | 51 Ų | 51 | 100.6 Ų | 100.6 | 27% | 0.273 | 54% | 0.544 | S | S | . | . | trans | -95.8 | 93.9 | 176.8 | -172.1 | -37.4 | 0 | 0 | 0 | 109.7 | D81 E86 K87 L88 | D81-N84 HydrophobicContact CB-CB 4.16Å; D81-N84 PolarHBondContact O-N 3.19Å; D81-N84 VanDerWaalsContact O-N 3.08Å; N84-E86 VanDerWaalsContact C-N 3.3Å; N84-E86 PolarHBondContact O-N 3.33Å; N84-E86 PolarHBondContact OD1-N 3.23Å; N84-K87 HydrophobicContact CB-CB 4.19Å; N84-K87 HydrophobicContact CB-CD 4.41Å; N84-K87 HydrophobicContact CB-CG 4.4Å; N84-K87 PolarHBondContact O-N 2.88Å; N84-K87 PolarHBondContact OD1-N 3.18Å; N84-L88 WeakPolarHBondContact O-CG 3.38Å; N84-L88 PolarHBondContact O-N 3.29Å | ||
| 85 | E | 92.2 | Very high | 89.7 | Confident | 148 Ų | 148 | 100.9 Ų | 100.9 | 69% | 0.692 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -57.3 | -40.8 | -178.9 | -174.3 | 176.6 | 175.7 | 0 | 0 | 112.6 | K87 L88 L89 | E85-K87 PolarHBondContact O-N 3.05Å; E85-L88 PolarHBondContact O-N 3.37Å; E85-L89 HydrophobicContact CG-CD1 4.35Å; E85-L89 WeakPolarHBondContact O-CG 3.38Å; E85-L89 PolarHBondContact O-N 3.11Å |
| 86 | E | 91.9 | Very high | 89.3 | Confident | 146 Ų | 146 | 101.8 Ų | 101.8 | 68% | 0.682 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.5 | -48.4 | 178.7 | -173 | 179.3 | -167.6 | 0 | 0 | 111.1 | N84 L88 L89 D90 | N84-E86 VanDerWaalsContact C-N 3.3Å; N84-E86 PolarHBondContact O-N 3.33Å; N84-E86 PolarHBondContact OD1-N 3.23Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 3.02Å; E86-L89 WeakPolarHBondContact O-CB 3.5Å; E86-L89 PolarHBondContact O-N 3.29Å; E86-D90 PolarHBondContact O-N 3.42Å; E86-D90 VanDerWaalsContact O-N 3.08Å |
| 87 | K | 88.9 | Confident | 87.9 | Confident | 106 Ų | 106 | 105 Ų | 105 | 46% | 0.461 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.3 | -34.5 | 176 | -74.2 | -171.6 | 175.9 | -174 | 0 | 113.2 | N84 E85 D90 V91 | N84-K87 HydrophobicContact CB-CB 4.19Å; N84-K87 HydrophobicContact CB-CD 4.41Å; N84-K87 HydrophobicContact CB-CG 4.4Å; N84-K87 PolarHBondContact O-N 2.88Å; N84-K87 PolarHBondContact OD1-N 3.18Å; E85-K87 PolarHBondContact O-N 3.05Å; K87-D90 PolarHBondContact O-N 3.48Å; K87-V91 WeakPolarHBondContact O-CG2 3.48Å; K87-V91 PolarHBondContact O-N 3.48Å |
| 88 | L | 92 | Very high | 88 | Confident | 66 Ų | 66 | 104 Ų | 104 | 35% | 0.346 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.5 | -37.2 | 175.6 | -72.5 | 177.6 | 0 | 0 | 0 | 111.5 | I80 I82 N84 E85 E86 V91 V92 | I80-L88 HydrophobicContact CG2-CD2 4.08Å; I82-L88 WeakPolarHBondContact O-CD1 3.32Å; N84-L88 WeakPolarHBondContact O-CG 3.38Å; N84-L88 PolarHBondContact O-N 3.29Å; E85-L88 PolarHBondContact O-N 3.37Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 3.02Å; L88-V91 PolarHBondContact O-N 3.36Å; L88-V92 WeakPolarHBondContact O-CG2 3.49Å; L88-V92 PolarHBondContact O-N 3.11Å |
| 89 | L | 92.3 | Very high | 88.3 | Confident | 84 Ų | 84 | 105.8 Ų | 105.8 | 44% | 0.44 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.8 | -42.3 | 173.6 | -73.6 | 170.9 | 0 | 0 | 0 | 111.4 | E85 E86 V91 V92 H93 | E85-L89 HydrophobicContact CG-CD1 4.35Å; E85-L89 WeakPolarHBondContact O-CG 3.38Å; E85-L89 PolarHBondContact O-N 3.11Å; E86-L89 WeakPolarHBondContact O-CB 3.5Å; E86-L89 PolarHBondContact O-N 3.29Å; L89-V91 VanDerWaalsContact C-N 3.28Å; L89-V91 PolarHBondContact O-N 3.1Å; L89-V92 PolarHBondContact O-N 2.64Å; L89-V92 VanDerWaalsContact O-N 3.11Å; L89-H93 WeakPolarHBondContact O-CB 3.4Å; L89-H93 PolarHBondContact O-CD2 3.34Å; L89-H93 PolarHBondContact O-N 3.26Å |
| 90 | D | 90.7 | Very high | 88.5 | Confident | 102 Ų | 102 | 105.2 Ų | 105.2 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.5 | -42.8 | 174.7 | -71 | -20.5 | 0 | 0 | 0 | 111.9 | E86 K87 H93 S94 | E86-D90 PolarHBondContact O-N 3.42Å; E86-D90 VanDerWaalsContact O-N 3.08Å; K87-D90 PolarHBondContact O-N 3.48Å; D90-H93 PolarHBondContact O-N 3.43Å; D90-S94 PolarHBondContact O-N 3.01Å |
| 91 | V | 90.1 | Very high | 88.7 | Confident | 57 Ų | 57 | 106.5 Ų | 106.5 | 35% | 0.345 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.9 | -44 | 176 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | I80 K87 L88 L89 S94 C95 | I80-V91 HydrophobicContact CD1-CG2 3.56Å; K87-V91 WeakPolarHBondContact O-CG2 3.48Å; K87-V91 PolarHBondContact O-N 3.48Å; L88-V91 PolarHBondContact O-N 3.36Å; L89-V91 VanDerWaalsContact C-N 3.28Å; L89-V91 PolarHBondContact O-N 3.1Å; V91-S94 PolarHBondContact O-N 3.29Å; V91-S94 PolarHBondContact O-OG 3.09Å; V91-C95 PolarHBondContact O-N 2.83Å; V91-C95 PolarHBondContact O-SG 3.43Å; V91-C95 VanDerWaalsContact O-SG 3.33Å |
| 92 | V | 90.7 | Very high | 88.8 | Confident | 70 Ų | 70 | 108.3 Ų | 108.3 | 42% | 0.424 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.3 | -44 | 178 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L88 L89 S94 C95 M96 | L88-V92 WeakPolarHBondContact O-CG2 3.49Å; L88-V92 PolarHBondContact O-N 3.11Å; L89-V92 PolarHBondContact O-N 2.64Å; L89-V92 VanDerWaalsContact O-N 3.11Å; V92-S94 VanDerWaalsContact C-N 3.32Å; V92-S94 PolarHBondContact O-N 3.08Å; V92-C95 PolarHBondContact O-N 3.04Å; V92-C95 VanDerWaalsContact O-N 3.11Å; V92-M96 HydrophobicContact CG1-CE 3.53Å; V92-M96 HydrophobicContact CG1-SD 4.21Å; V92-M96 WeakPolarHBondContact O-CG 3.47Å; V92-M96 PolarHBondContact O-N 3.28Å |
| 93 | H | 92.9 | Very high | 88.7 | Confident | 110 Ų | 110 | 106.7 Ų | 106.7 | 51% | 0.509 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.7 | -41.7 | 175.4 | -76.8 | -59.4 | 0 | 0 | 0 | 111.7 | L89 D90 C95 M96 | L89-H93 WeakPolarHBondContact O-CB 3.4Å; L89-H93 PolarHBondContact O-CD2 3.34Å; L89-H93 PolarHBondContact O-N 3.26Å; D90-H93 PolarHBondContact O-N 3.43Å; H93-C95 PolarHBondContact O-N 3.42Å; H93-C95 VanDerWaalsContact O-N 3.1Å; H93-M96 PolarHBondContact O-N 2.96Å |
| 94 | S | 90.6 | Very high | 88.4 | Confident | 79 Ų | 79 | 104.4 Ų | 104.4 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.3 | -19.1 | 176.9 | 77.4 | 0 | 0 | 0 | 0 | 114.6 | D90 V91 V92 | D90-S94 PolarHBondContact O-N 3.01Å; V91-S94 PolarHBondContact O-N 3.29Å; V91-S94 PolarHBondContact O-OG 3.09Å; V92-S94 VanDerWaalsContact C-N 3.32Å; V92-S94 PolarHBondContact O-N 3.08Å |
| 95 | C | 87 | Confident | 88.1 | Confident | 100 Ų | 100 | 108.5 Ų | 108.5 | 68% | 0.676 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -6 | 178.5 | -63.6 | 0 | 0 | 0 | 0 | 113.3 | V91 V92 H93 | V91-C95 PolarHBondContact O-N 2.83Å; V91-C95 PolarHBondContact O-SG 3.43Å; V91-C95 VanDerWaalsContact O-SG 3.33Å; V92-C95 PolarHBondContact O-N 3.04Å; V92-C95 VanDerWaalsContact O-N 3.11Å; H93-C95 PolarHBondContact O-N 3.42Å; H93-C95 VanDerWaalsContact O-N 3.1Å |
| 96 | M | 84.8 | Confident | 87.8 | Confident | 139 Ų | 139 | 105.3 Ų | 105.3 | 69% | 0.685 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -14.2 | -177.4 | -71 | -176.2 | 177.2 | 0 | 0 | 113.6 | V92 H93 | V92-M96 HydrophobicContact CG1-CE 3.53Å; V92-M96 HydrophobicContact CG1-SD 4.21Å; V92-M96 WeakPolarHBondContact O-CG 3.47Å; V92-M96 PolarHBondContact O-N 3.28Å; H93-M96 PolarHBondContact O-N 2.96Å |
| 97 | D | 61.5 | Low | 87.4 | Confident | 204 Ų | 204 | 101.5 Ų | 101.5 | 100% | 1.091 | 55% | 0.552 | S | S | * | * | trans | -86.1 | 0 | 171.4 | -65.6 | -31.6 | 0 | 0 | 0 | 111.6 |
Retrieved 97 of 97 residues in 95.7 ms
(Link to these results)