| 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 | 53.4 | Low | 79.6 | Confident | 202 Ų | 202 | 137.1 Ų | 137.1 | 100% | 0.995 | 64% | 0.638 | S | S | * | * | 0 | 107.9 | 0 | -155.6 | 175.9 | -128.9 | 0 | 0 | 106.6 | Y3 | M1-Y3 HydrophobicContact CB-CE2 4.49Å; M1-Y3 PolarHBondContact O-N 3.16Å; M1-Y3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | F | 74.4 | Confident | 79.7 | Confident | 219 Ų | 219 | 133.2 Ų | 133.2 | 96% | 0.961 | 62% | 0.62 | S | S | * | * | trans | -75.7 | 101.2 | -178.2 | -95.1 | -94.2 | 0 | 0 | 0 | 108.9 | ||||
| 3 | Y | 77.5 | Confident | 79.6 | Confident | 196 Ų | 196 | 129.2 Ų | 129.2 | 77% | 0.769 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 126.9 | 165.7 | -68.2 | -78.7 | 0 | 0 | 0 | 108 | M1 | M1-Y3 HydrophobicContact CB-CE2 4.49Å; M1-Y3 PolarHBondContact O-N 3.16Å; M1-Y3 VanDerWaalsContact O-N 3.15Å |
| 4 | K | 79.8 | Confident | 79.7 | Confident | 143 Ų | 143 | 131.4 Ų | 131.4 | 62% | 0.622 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 142.6 | 169.9 | -72.3 | -174.2 | 177.6 | -175.5 | 0 | 109.4 | E8 | K4-E8 WeakPolarHBondContact CA-OE2 3.31Å; K4-E8 HydrophobicContact CB-CB 4.15Å; K4-E8 WeakPolarHBondContact CB-OE2 3.43Å |
| 5 | S | 83.6 | Confident | 79.7 | Confident | 55 Ų | 55 | 126.7 Ų | 126.7 | 39% | 0.385 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 153.8 | 175 | 83.7 | 0 | 0 | 0 | 0 | 109.9 | E7 E8 Y9 | S5-E7 PolarHBondContact O-N 3.16Å; S5-E7 VanDerWaalsContact O-N 3.16Å; S5-E7 PolarHBondContact OG-N 3.49Å; S5-E8 PolarHBondContact N-OE2 3.42Å; S5-E8 PolarHBondContact O-N 3.38Å; S5-E8 VanDerWaalsContact O-N 3.1Å; S5-E8 WeakPolarHBondContact OG-CG 3.43Å; S5-E8 PolarHBondContact OG-N 3.06Å; S5-Y9 PolarHBondContact O-N 2.9Å |
| 6 | I | 85.1 | Confident | 79.6 | Confident | 139 Ų | 139 | 125 Ų | 125 | 71% | 0.713 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -54.2 | -35.3 | 174.4 | -69 | 170.7 | 0 | 0 | 0 | 110.3 | Y9 N10 | I6-Y9 PolarHBondContact O-N 3Å; I6-N10 WeakPolarHBondContact O-CB 3.35Å; I6-N10 PolarHBondContact O-N 2.98Å; I6-N10 PolarHBondContact O-ND2 3.1Å; I6-N10 VanDerWaalsContact O-ND2 3.16Å |
| 7 | E | 85.3 | Confident | 79.8 | Confident | 144 Ų | 144 | 127.1 Ų | 127.1 | 67% | 0.673 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.1 | -45.9 | 177.1 | -171.2 | 167.8 | -160.8 | 0 | 0 | 112.4 | S5 Y9 N10 I11 | S5-E7 PolarHBondContact O-N 3.16Å; S5-E7 VanDerWaalsContact O-N 3.16Å; S5-E7 PolarHBondContact OG-N 3.49Å; E7-Y9 VanDerWaalsContact C-N 3.32Å; E7-Y9 PolarHBondContact O-N 3.49Å; E7-N10 PolarHBondContact O-N 3.42Å; E7-I11 HydrophobicContact CG-CD1 4.15Å; E7-I11 VanDerWaalsContact O-CG1 3.31Å; E7-I11 WeakPolarHBondContact O-CG1 3.38Å; E7-I11 PolarHBondContact O-N 3.43Å |
| 8 | E | 85.8 | Confident | 80.2 | Confident | 102 Ų | 102 | 122.9 Ų | 122.9 | 48% | 0.477 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.7 | -40.9 | 174.9 | -72.1 | 177 | 147.9 | 0 | 0 | 112.1 | K4 S5 I11 Q12 | K4-E8 WeakPolarHBondContact CA-OE2 3.31Å; K4-E8 HydrophobicContact CB-CB 4.15Å; K4-E8 WeakPolarHBondContact CB-OE2 3.43Å; S5-E8 PolarHBondContact N-OE2 3.42Å; S5-E8 PolarHBondContact O-N 3.38Å; S5-E8 VanDerWaalsContact O-N 3.1Å; S5-E8 WeakPolarHBondContact OG-CG 3.43Å; S5-E8 PolarHBondContact OG-N 3.06Å; E8-I11 PolarHBondContact O-N 2.96Å; E8-Q12 WeakPolarHBondContact O-CB 3.43Å; E8-Q12 PolarHBondContact O-N 2.82Å |
| 9 | Y | 85.7 | Confident | 80.6 | Confident | 139 Ų | 139 | 119.7 Ų | 119.7 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.7 | -45.5 | 175.1 | -178.6 | -100.2 | 0 | 0 | 0 | 111.4 | S5 I6 E7 I11 Q12 L13 | S5-Y9 PolarHBondContact O-N 2.9Å; I6-Y9 PolarHBondContact O-N 3Å; E7-Y9 VanDerWaalsContact C-N 3.32Å; E7-Y9 PolarHBondContact O-N 3.49Å; Y9-I11 PolarHBondContact O-N 2.95Å; Y9-Q12 PolarHBondContact O-N 3.21Å; Y9-L13 HydrophobicContact CD1-CD1 3.75Å; Y9-L13 HydrophobicContact CD1-CG 4.26Å; Y9-L13 HydrophobicContact CE1-CD1 3.16Å; Y9-L13 HydrophobicContact CE1-CG 3.88Å; Y9-L13 HydrophobicContact CE2-CG 4.48Å; Y9-L13 WeakPolarHBondContact O-CG 3.34Å; Y9-L13 PolarHBondContact O-N 3.43Å |
| 10 | N | 82.4 | Confident | 81 | Confident | 76 Ų | 76 | 116.8 Ų | 116.8 | 41% | 0.406 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.6 | -40.1 | 177.7 | -74.6 | -29.4 | 0 | 0 | 0 | 112.5 | I6 E7 L13 K14 | I6-N10 WeakPolarHBondContact O-CB 3.35Å; I6-N10 PolarHBondContact O-N 2.98Å; I6-N10 PolarHBondContact O-ND2 3.1Å; I6-N10 VanDerWaalsContact O-ND2 3.16Å; E7-N10 PolarHBondContact O-N 3.42Å; N10-L13 PolarHBondContact O-N 3.45Å; N10-K14 WeakPolarHBondContact O-CG 3.48Å; N10-K14 PolarHBondContact O-N 3Å |
| 11 | I | 82.4 | Confident | 81.4 | Confident | 93 Ų | 93 | 116.1 Ų | 116.1 | 48% | 0.477 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.5 | -48.2 | 174.5 | -68.9 | 165.8 | 0 | 0 | 0 | 110.1 | E7 E8 Y9 L13 K14 C15 | E7-I11 HydrophobicContact CG-CD1 4.15Å; E7-I11 VanDerWaalsContact O-CG1 3.31Å; E7-I11 WeakPolarHBondContact O-CG1 3.38Å; E7-I11 PolarHBondContact O-N 3.43Å; E8-I11 PolarHBondContact O-N 2.96Å; Y9-I11 PolarHBondContact O-N 2.95Å; I11-L13 VanDerWaalsContact C-N 3.35Å; I11-L13 PolarHBondContact O-N 2.85Å; I11-K14 PolarHBondContact O-N 3.25Å; I11-C15 PolarHBondContact O-N 2.95Å; I11-C15 PolarHBondContact O-SG 2.92Å |
| 12 | Q | 80.7 | Confident | 83.3 | Confident | 90 Ų | 90 | 111.7 Ų | 111.7 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 178.7 | -178 | 67 | 3.9 | 0 | 0 | 111.8 | E8 Y9 C15 Q16 | E8-Q12 WeakPolarHBondContact O-CB 3.43Å; E8-Q12 PolarHBondContact O-N 2.82Å; Y9-Q12 PolarHBondContact O-N 3.21Å; Q12-C15 PolarHBondContact O-N 3.42Å; Q12-Q16 HydrophobicContact CG-CG 4.42Å; Q12-Q16 WeakPolarHBondContact O-CB 3.19Å; Q12-Q16 VanDerWaalsContact O-CG 3.27Å; Q12-Q16 WeakPolarHBondContact O-CG 3.22Å; Q12-Q16 PolarHBondContact O-N 3.3Å |
| 13 | L | 79.2 | Confident | 84.1 | Confident | 81 Ų | 81 | 108.1 Ų | 108.1 | 42% | 0.424 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 176.3 | -78.2 | -177.7 | 0 | 0 | 0 | 112.2 | Y9 N10 I11 C15 Q16 Y17 | Y9-L13 HydrophobicContact CD1-CD1 3.75Å; Y9-L13 HydrophobicContact CD1-CG 4.26Å; Y9-L13 HydrophobicContact CE1-CD1 3.16Å; Y9-L13 HydrophobicContact CE1-CG 3.88Å; Y9-L13 HydrophobicContact CE2-CG 4.48Å; Y9-L13 WeakPolarHBondContact O-CG 3.34Å; Y9-L13 PolarHBondContact O-N 3.43Å; N10-L13 PolarHBondContact O-N 3.45Å; I11-L13 VanDerWaalsContact C-N 3.35Å; I11-L13 PolarHBondContact O-N 2.85Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-C15 PolarHBondContact O-N 3.3Å; L13-Q16 PolarHBondContact O-N 3.46Å; L13-Y17 WeakPolarHBondContact O-CB 3.41Å; L13-Y17 PolarHBondContact O-N 3.47Å |
| 14 | K | 80.1 | Confident | 84.9 | Confident | 161 Ų | 161 | 105.9 Ų | 105.9 | 70% | 0.7 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.4 | -44.3 | 175.2 | -76.6 | 178.1 | -176.9 | 178 | 0 | 111.4 | N10 I11 S18 | N10-K14 WeakPolarHBondContact O-CG 3.48Å; N10-K14 PolarHBondContact O-N 3Å; I11-K14 PolarHBondContact O-N 3.25Å; K14-S18 WeakPolarHBondContact O-CB 3.35Å; K14-S18 PolarHBondContact O-N 3.43Å; K14-S18 PolarHBondContact O-OG 2.89Å |
| 15 | C | 79.8 | Confident | 85.6 | Confident | 61 Ų | 61 | 102.6 Ų | 102.6 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 175.7 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | I11 Q12 L13 S18 V19 | I11-C15 PolarHBondContact O-N 2.95Å; I11-C15 PolarHBondContact O-SG 2.92Å; Q12-C15 PolarHBondContact O-N 3.42Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-C15 PolarHBondContact O-N 3.3Å; C15-S18 WeakPolarHBondContact CA-OG 3.23Å; C15-S18 PolarHBondContact O-N 2.81Å; C15-S18 PolarHBondContact O-OG 2.83Å; C15-V19 WeakPolarHBondContact O-CB 3.24Å; C15-V19 VanDerWaalsContact O-CG2 3.23Å; C15-V19 WeakPolarHBondContact O-CG2 3.5Å; C15-V19 PolarHBondContact O-N 3.35Å |
| 16 | Q | 78.7 | Confident | 86.1 | Confident | 99 Ų | 99 | 106.5 Ų | 106.5 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.7 | -77 | -72.2 | -14 | 0 | 0 | 111.8 | Q12 L13 V19 S20 | Q12-Q16 HydrophobicContact CG-CG 4.42Å; Q12-Q16 WeakPolarHBondContact O-CB 3.19Å; Q12-Q16 VanDerWaalsContact O-CG 3.27Å; Q12-Q16 WeakPolarHBondContact O-CG 3.22Å; Q12-Q16 PolarHBondContact O-N 3.3Å; L13-Q16 PolarHBondContact O-N 3.46Å; Q16-V19 PolarHBondContact O-N 3.15Å; Q16-S20 VanDerWaalsContact O-CB 3.29Å; Q16-S20 WeakPolarHBondContact O-CB 3.38Å; Q16-S20 PolarHBondContact O-N 2.96Å; Q16-S20 PolarHBondContact O-OG 2.84Å |
| 17 | Y | 82.9 | Confident | 86.6 | Confident | 160 Ų | 160 | 101.4 Ų | 101.4 | 63% | 0.627 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.8 | -41.2 | 175.9 | -173.8 | -95.8 | 0 | 0 | 0 | 111.4 | L13 S20 K21 | L13-Y17 WeakPolarHBondContact O-CB 3.41Å; L13-Y17 PolarHBondContact O-N 3.47Å; Y17-S20 PolarHBondContact O-N 2.87Å; Y17-K21 HydrophobicContact CE1-CD 4.39Å; Y17-K21 WeakPolarHBondContact O-CB 3.29Å; Y17-K21 PolarHBondContact O-N 2.88Å |
| 18 | S | 87.2 | Confident | 87.2 | Confident | 52 Ų | 52 | 98.1 Ų | 98.1 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 176.9 | 76.7 | 0 | 0 | 0 | 0 | 111.7 | K14 C15 S20 K21 L22 | K14-S18 WeakPolarHBondContact O-CB 3.35Å; K14-S18 PolarHBondContact O-N 3.43Å; K14-S18 PolarHBondContact O-OG 2.89Å; C15-S18 WeakPolarHBondContact CA-OG 3.23Å; C15-S18 PolarHBondContact O-N 2.81Å; C15-S18 PolarHBondContact O-OG 2.83Å; S18-S20 PolarHBondContact O-N 3.29Å; S18-K21 PolarHBondContact O-N 3.5Å; S18-L22 WeakPolarHBondContact O-CB 3.41Å; S18-L22 VanDerWaalsContact O-CG 3.24Å; S18-L22 WeakPolarHBondContact O-CG 3.29Å; S18-L22 PolarHBondContact O-N 3.34Å |
| 19 | V | 87.6 | Confident | 87.7 | Confident | 62 Ų | 62 | 101.1 Ų | 101.1 | 38% | 0.376 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | C15 Q16 K21 L22 K23 | C15-V19 WeakPolarHBondContact O-CB 3.24Å; C15-V19 VanDerWaalsContact O-CG2 3.23Å; C15-V19 WeakPolarHBondContact O-CG2 3.5Å; C15-V19 PolarHBondContact O-N 3.35Å; Q16-V19 PolarHBondContact O-N 3.15Å; V19-K21 PolarHBondContact O-N 3.47Å; V19-L22 PolarHBondContact O-N 3.29Å; V19-K23 HydrophobicContact CG1-CD 4.28Å; V19-K23 WeakPolarHBondContact O-CG 3.27Å; V19-K23 PolarHBondContact O-N 3.49Å |
| 20 | S | 89.2 | Confident | 88.3 | Confident | 62 Ų | 62 | 101.7 Ų | 101.7 | 43% | 0.434 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 176.6 | -62.4 | 0 | 0 | 0 | 0 | 111.7 | Q16 Y17 S18 K23 R24 | Q16-S20 VanDerWaalsContact O-CB 3.29Å; Q16-S20 WeakPolarHBondContact O-CB 3.38Å; Q16-S20 PolarHBondContact O-N 2.96Å; Q16-S20 PolarHBondContact O-OG 2.84Å; Y17-S20 PolarHBondContact O-N 2.87Å; S18-S20 PolarHBondContact O-N 3.29Å; S20-K23 PolarHBondContact O-N 3.34Å; S20-R24 PolarHBondContact O-N 3.46Å |
| 21 | K | 89.9 | Confident | 89 | Confident | 102 Ų | 102 | 102 Ų | 102 | 44% | 0.443 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 174 | -176.8 | 175.4 | 177.9 | 179.5 | 0 | 111.4 | Y17 S18 V19 R24 L25 | Y17-K21 HydrophobicContact CE1-CD 4.39Å; Y17-K21 WeakPolarHBondContact O-CB 3.29Å; Y17-K21 PolarHBondContact O-N 2.88Å; S18-K21 PolarHBondContact O-N 3.5Å; V19-K21 PolarHBondContact O-N 3.47Å; K21-R24 PolarHBondContact O-N 3.35Å; K21-L25 HydrophobicContact CG-CD1 4.3Å; K21-L25 WeakPolarHBondContact O-CB 3.48Å; K21-L25 VanDerWaalsContact O-CG 3.29Å; K21-L25 WeakPolarHBondContact O-CG 3.36Å; K21-L25 PolarHBondContact O-N 3.39Å |
| 22 | L | 91.5 | Very high | 89.7 | Confident | 109 Ų | 109 | 104.2 Ų | 104.2 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.8 | -42.3 | 177.1 | -73.2 | 173 | 0 | 0 | 0 | 112.1 | S18 V19 R24 L25 K26 | S18-L22 WeakPolarHBondContact O-CB 3.41Å; S18-L22 VanDerWaalsContact O-CG 3.24Å; S18-L22 WeakPolarHBondContact O-CG 3.29Å; S18-L22 PolarHBondContact O-N 3.34Å; V19-L22 PolarHBondContact O-N 3.29Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-R24 PolarHBondContact O-N 2.87Å; L22-L25 PolarHBondContact O-N 2.87Å; L22-K26 WeakPolarHBondContact O-CB 3.49Å; L22-K26 PolarHBondContact O-N 2.99Å |
| 23 | K | 93 | Very high | 90.5 | Very high | 144 Ų | 144 | 102.8 Ų | 102.8 | 63% | 0.626 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.8 | -45.9 | 173.6 | -74.5 | 176.9 | -179.2 | 179.5 | 0 | 111 | V19 S20 K26 A27 | V19-K23 HydrophobicContact CG1-CD 4.28Å; V19-K23 WeakPolarHBondContact O-CG 3.27Å; V19-K23 PolarHBondContact O-N 3.49Å; S20-K23 PolarHBondContact O-N 3.34Å; K23-K26 PolarHBondContact O-N 2.89Å; K23-A27 WeakPolarHBondContact O-CB 3.46Å; K23-A27 PolarHBondContact O-N 3.4Å |
| 24 | R | 94.2 | Very high | 91.4 | Very high | 149 Ų | 149 | 105.4 Ų | 105.4 | 56% | 0.562 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.8 | -45.2 | 175.2 | -173.4 | 176.1 | 64.7 | 150.9 | -1.8 | 112.1 | S20 K21 L22 K26 A27 N28 | S20-R24 PolarHBondContact O-N 3.46Å; K21-R24 PolarHBondContact O-N 3.35Å; L22-R24 VanDerWaalsContact C-N 3.35Å; L22-R24 PolarHBondContact O-N 2.87Å; R24-K26 PolarHBondContact O-N 2.84Å; R24-A27 PolarHBondContact O-N 3.02Å; R24-N28 WeakPolarHBondContact O-CB 3.45Å; R24-N28 VanDerWaalsContact O-CG 3.24Å; R24-N28 PolarHBondContact O-N 3.42Å; R24-N28 PolarHBondContact O-OD1 3.08Å |
| 25 | L | 93.2 | Very high | 92.3 | Very high | 75 Ų | 75 | 100.7 Ų | 100.7 | 39% | 0.393 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 176.5 | -73.2 | 175.7 | 0 | 0 | 0 | 112.2 | K21 L22 N28 R29 | K21-L25 HydrophobicContact CG-CD1 4.3Å; K21-L25 WeakPolarHBondContact O-CB 3.48Å; K21-L25 VanDerWaalsContact O-CG 3.29Å; K21-L25 WeakPolarHBondContact O-CG 3.36Å; K21-L25 PolarHBondContact O-N 3.39Å; L22-L25 PolarHBondContact O-N 2.87Å; L25-N28 PolarHBondContact O-N 3.27Å; L25-R29 WeakPolarHBondContact O-CB 3.4Å; L25-R29 PolarHBondContact O-N 3.5Å |
| 26 | K | 94 | Very high | 93.1 | Very high | 137 Ų | 137 | 103.1 Ų | 103.1 | 60% | 0.596 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 175 | -170.9 | 176.3 | -176.9 | 177.3 | 0 | 111 | L22 K23 R24 R29 R30 | L22-K26 WeakPolarHBondContact O-CB 3.49Å; L22-K26 PolarHBondContact O-N 2.99Å; K23-K26 PolarHBondContact O-N 2.89Å; R24-K26 PolarHBondContact O-N 2.84Å; K26-R29 PolarHBondContact O-N 3.42Å; K26-R30 WeakPolarHBondContact O-CG 3.44Å; K26-R30 PolarHBondContact O-N 3.01Å |
| 27 | A | 95.8 | Very high | 94 | Very high | 32 Ų | 32 | 101.4 Ų | 101.4 | 26% | 0.264 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K23 R24 R29 R30 E31 | K23-A27 WeakPolarHBondContact O-CB 3.46Å; K23-A27 PolarHBondContact O-N 3.4Å; R24-A27 PolarHBondContact O-N 3.02Å; A27-R29 VanDerWaalsContact C-N 3.3Å; A27-R29 PolarHBondContact O-N 3.49Å; A27-R30 WeakPolarHBondContact O-CB 3.48Å; A27-R30 PolarHBondContact O-N 2.89Å; A27-R30 VanDerWaalsContact O-N 3.1Å; A27-E31 PolarHBondContact O-N 3.19Å |
| 28 | N | 97.4 | Very high | 94.8 | Very high | 74 Ų | 74 | 98 Ų | 98 | 40% | 0.396 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 176.5 | -69.5 | -5.3 | 0 | 0 | 0 | 112.1 | R24 L25 E31 R32 | R24-N28 WeakPolarHBondContact O-CB 3.45Å; R24-N28 VanDerWaalsContact O-CG 3.24Å; R24-N28 PolarHBondContact O-N 3.42Å; R24-N28 PolarHBondContact O-OD1 3.08Å; L25-N28 PolarHBondContact O-N 3.27Å; N28-E31 PolarHBondContact O-N 3.11Å; N28-R32 WeakPolarHBondContact O-CG 3.42Å; N28-R32 PolarHBondContact O-N 2.97Å |
| 29 | R | 96.7 | Very high | 95.2 | Very high | 165 Ų | 165 | 98.1 Ų | 98.1 | 62% | 0.623 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 174.6 | -174.5 | -179.1 | -70.2 | 121.4 | -3.6 | 111.5 | L25 K26 A27 R32 A33 | L25-R29 WeakPolarHBondContact O-CB 3.4Å; L25-R29 PolarHBondContact O-N 3.5Å; K26-R29 PolarHBondContact O-N 3.42Å; A27-R29 VanDerWaalsContact C-N 3.3Å; A27-R29 PolarHBondContact O-N 3.49Å; R29-R32 PolarHBondContact O-N 3.1Å; R29-A33 PolarHBondContact O-N 3.49Å; R29-A33 VanDerWaalsContact O-N 3.08Å |
| 30 | R | 97.7 | Very high | 95.6 | Very high | 151 Ų | 151 | 100.1 Ų | 100.1 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.5 | -46.8 | 176.4 | -68.2 | -168 | -46.6 | -91.9 | 0.2 | 111.9 | K26 A27 R32 A33 R34 | K26-R30 WeakPolarHBondContact O-CG 3.44Å; K26-R30 PolarHBondContact O-N 3.01Å; A27-R30 WeakPolarHBondContact O-CB 3.48Å; A27-R30 PolarHBondContact O-N 2.89Å; A27-R30 VanDerWaalsContact O-N 3.1Å; R30-R32 VanDerWaalsContact C-N 3.31Å; R30-R32 PolarHBondContact O-N 3.26Å; R30-A33 WeakPolarHBondContact O-CB 3.44Å; R30-A33 PolarHBondContact O-N 2.71Å; R30-A33 VanDerWaalsContact O-N 3.11Å; R30-R34 PolarHBondContact O-N 3.35Å |
| 31 | E | 97.9 | Very high | 96 | Very high | 82 Ų | 82 | 100 Ų | 100 | 38% | 0.383 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | -179 | -179.5 | 53.9 | -158.1 | 0 | 0 | 111.9 | A27 N28 R34 M35 | A27-E31 PolarHBondContact O-N 3.19Å; N28-E31 PolarHBondContact O-N 3.11Å; E31-R34 WeakPolarHBondContact O-CB 3.1Å; E31-R34 PolarHBondContact O-N 3.36Å; E31-R34 IonicContact OE1-CZ 3.15Å; E31-R34 IonicContact OE1-NE 3.77Å; E31-R34 PolarHBondContact OE1-NE 3.36Å; E31-R34 VanDerWaalsContact OE1-NE 3.15Å; E31-R34 IonicContact OE1-NH2 3.72Å; E31-R34 PolarHBondContact OE1-NH2 3.45Å; E31-R34 IonicContact OE2-CZ 2.82Å; E31-R34 IonicContact OE2-NE 2.81Å; E31-R34 PolarHBondContact OE2-NE 2.87Å; E31-R34 IonicContact OE2-NH2 3.79Å; E31-M35 WeakPolarHBondContact O-CB 3.44Å; E31-M35 PolarHBondContact O-N 2.88Å |
| 32 | R | 98 | Very high | 96.3 | Very high | 141 Ų | 141 | 96.2 Ų | 96.2 | 53% | 0.532 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 170.3 | -77.3 | -169.5 | -69.6 | -112.5 | 3.5 | 112.1 | N28 R29 R30 R34 M35 H36 | N28-R32 WeakPolarHBondContact O-CG 3.42Å; N28-R32 PolarHBondContact O-N 2.97Å; R29-R32 PolarHBondContact O-N 3.1Å; R30-R32 VanDerWaalsContact C-N 3.31Å; R30-R32 PolarHBondContact O-N 3.26Å; R32-R34 VanDerWaalsContact C-N 3.32Å; R32-R34 PolarHBondContact O-N 2.9Å; R32-M35 PolarHBondContact O-N 3.07Å; R32-H36 PolarHBondContact O-CD2 3.48Å; R32-H36 PolarHBondContact O-N 2.83Å |
| 33 | A | 97.5 | Very high | 96.3 | Very high | 59 Ų | 59 | 94.2 Ų | 94.2 | 49% | 0.488 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R29 R30 M35 H36 A37 | R29-A33 PolarHBondContact O-N 3.49Å; R29-A33 VanDerWaalsContact O-N 3.08Å; R30-A33 WeakPolarHBondContact O-CB 3.44Å; R30-A33 PolarHBondContact O-N 2.71Å; R30-A33 VanDerWaalsContact O-N 3.11Å; A33-M35 PolarHBondContact O-N 3.25Å; A33-H36 PolarHBondContact O-N 2.9Å; A33-A37 PolarHBondContact O-N 2.9Å |
| 34 | R | 98.2 | Very high | 96.4 | Very high | 137 Ų | 137 | 93.3 Ų | 93.3 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 174.5 | -167.2 | -170.3 | 74.4 | 85.5 | 0.3 | 111.7 | R30 E31 R32 A37 L38 | R30-R34 PolarHBondContact O-N 3.35Å; E31-R34 WeakPolarHBondContact O-CB 3.1Å; E31-R34 PolarHBondContact O-N 3.36Å; E31-R34 IonicContact OE1-CZ 3.15Å; E31-R34 IonicContact OE1-NE 3.77Å; E31-R34 PolarHBondContact OE1-NE 3.36Å; E31-R34 VanDerWaalsContact OE1-NE 3.15Å; E31-R34 IonicContact OE1-NH2 3.72Å; E31-R34 PolarHBondContact OE1-NH2 3.45Å; E31-R34 IonicContact OE2-CZ 2.82Å; E31-R34 IonicContact OE2-NE 2.81Å; E31-R34 PolarHBondContact OE2-NE 2.87Å; E31-R34 IonicContact OE2-NH2 3.79Å; R32-R34 VanDerWaalsContact C-N 3.32Å; R32-R34 PolarHBondContact O-N 2.9Å; R34-A37 PolarHBondContact O-N 3.47Å; R34-L38 PolarHBondContact O-N 3.36Å |
| 35 | M | 97.9 | Very high | 96.4 | Very high | 61 Ų | 61 | 88.4 Ų | 88.4 | 30% | 0.3 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 179.1 | -166.4 | 59.4 | 61.1 | 0 | 0 | 112.3 | E31 R32 A33 L38 N39 | E31-M35 WeakPolarHBondContact O-CB 3.44Å; E31-M35 PolarHBondContact O-N 2.88Å; R32-M35 PolarHBondContact O-N 3.07Å; A33-M35 PolarHBondContact O-N 3.25Å; M35-L38 PolarHBondContact O-N 3.32Å; M35-L38 HydrophobicContact SD-CD2 4.02Å; M35-N39 WeakPolarHBondContact O-CB 3.38Å; M35-N39 PolarHBondContact O-N 3.42Å; M35-N39 PolarHBondContact O-ND2 3.15Å |
| 36 | H | 97.8 | Very high | 96.4 | Very high | 113 Ų | 113 | 85.8 Ų | 85.8 | 52% | 0.523 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 172.5 | -74.4 | -62.9 | 0 | 0 | 0 | 111.6 | R32 A33 L38 N39 N40 | R32-H36 PolarHBondContact O-CD2 3.48Å; R32-H36 PolarHBondContact O-N 2.83Å; A33-H36 PolarHBondContact O-N 2.9Å; H36-L38 VanDerWaalsContact C-N 3.35Å; H36-L38 PolarHBondContact O-N 3.03Å; H36-N39 PolarHBondContact O-N 2.69Å; H36-N40 WeakPolarHBondContact O-CB 3.46Å; H36-N40 PolarHBondContact O-N 2.82Å; H36-N40 PolarHBondContact O-OD1 2.91Å |
| 37 | A | 97.6 | Very high | 96.2 | Very high | 62 Ų | 62 | 84.2 Ų | 84.2 | 51% | 0.512 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A33 R34 N40 A41 | A33-A37 PolarHBondContact O-N 2.9Å; R34-A37 PolarHBondContact O-N 3.47Å; A37-N40 PolarHBondContact O-N 3.28Å; A37-A41 PolarHBondContact O-N 3.24Å |
| 38 | L | 97.6 | Very high | 96.1 | Very high | 90 Ų | 90 | 87.9 Ų | 87.9 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.8 | 178.4 | 63 | 0 | 0 | 0 | 112.2 | R34 M35 H36 N40 A41 L42 | R34-L38 PolarHBondContact O-N 3.36Å; M35-L38 PolarHBondContact O-N 3.32Å; M35-L38 HydrophobicContact SD-CD2 4.02Å; H36-L38 VanDerWaalsContact C-N 3.35Å; H36-L38 PolarHBondContact O-N 3.03Å; L38-N40 VanDerWaalsContact C-N 3.31Å; L38-N40 PolarHBondContact O-N 3.04Å; L38-A41 PolarHBondContact O-N 3.3Å; L38-L42 PolarHBondContact O-N 2.96Å |
| 39 | N | 96.6 | Very high | 95.7 | Very high | 54 Ų | 54 | 84.5 Ų | 84.5 | 29% | 0.289 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66 | -35.5 | 179.3 | -71.9 | -27.4 | 0 | 0 | 0 | 111.7 | M35 H36 L42 E43 K61 | M35-N39 WeakPolarHBondContact O-CB 3.38Å; M35-N39 PolarHBondContact O-N 3.42Å; M35-N39 PolarHBondContact O-ND2 3.15Å; H36-N39 PolarHBondContact O-N 2.69Å; N39-L42 PolarHBondContact O-N 3.24Å; N39-E43 PolarHBondContact O-N 2.95Å; N39-K61 PolarHBondContact OD1-NZ 3.3Å |
| 40 | N | 96.4 | Very high | 95.2 | Very high | 104 Ų | 104 | 79.2 Ų | 79.2 | 56% | 0.556 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 174.2 | -69.6 | -5.8 | 0 | 0 | 0 | 111 | H36 A37 L38 L42 E43 Q44 | H36-N40 WeakPolarHBondContact O-CB 3.46Å; H36-N40 PolarHBondContact O-N 2.82Å; H36-N40 PolarHBondContact O-OD1 2.91Å; A37-N40 PolarHBondContact O-N 3.28Å; L38-N40 VanDerWaalsContact C-N 3.31Å; L38-N40 PolarHBondContact O-N 3.04Å; N40-L42 VanDerWaalsContact C-N 3.32Å; N40-L42 PolarHBondContact O-N 3.34Å; N40-E43 WeakPolarHBondContact O-CB 3.41Å; N40-E43 PolarHBondContact O-N 3.36Å; N40-E43 VanDerWaalsContact O-N 3.13Å; N40-Q44 WeakPolarHBondContact O-CG 3.18Å; N40-Q44 PolarHBondContact O-N 3.34Å |
| 41 | A | 97 | Very high | 94 | Very high | 59 Ų | 59 | 78.8 Ų | 78.8 | 49% | 0.488 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A37 L38 E43 Q44 L45 | A37-A41 PolarHBondContact O-N 3.24Å; L38-A41 PolarHBondContact O-N 3.3Å; A41-E43 VanDerWaalsContact C-N 3.29Å; A41-E43 PolarHBondContact O-N 3.4Å; A41-Q44 PolarHBondContact O-N 2.83Å; A41-L45 PolarHBondContact O-N 2.61Å |
| 42 | L | 95.7 | Very high | 92.5 | Very high | 23 Ų | 23 | 75.9 Ų | 75.9 | 12% | 0.12 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65 | -33.8 | 175.2 | -170.2 | 69.6 | 0 | 0 | 0 | 112.2 | L38 N39 N40 L45 R46 K61 T64 L65 | L38-L42 PolarHBondContact O-N 2.96Å; N39-L42 PolarHBondContact O-N 3.24Å; N40-L42 VanDerWaalsContact C-N 3.32Å; N40-L42 PolarHBondContact O-N 3.34Å; L42-L45 HydrophobicContact CD1-CD2 4.4Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 2.76Å; L42-R46 WeakPolarHBondContact O-CG 3.46Å; L42-R46 PolarHBondContact O-N 3.35Å; L42-K61 HydrophobicContact CD2-CB 4.13Å; L42-K61 HydrophobicContact CD2-CD 4.31Å; L42-K61 HydrophobicContact CD2-CG 3.69Å; L42-T64 HydrophobicContact CD1-CG2 3.71Å; L42-T64 HydrophobicContact CG-CG2 4.26Å; L42-L65 HydrophobicContact CD1-CD2 4.48Å |
| 43 | E | 93 | Very high | 90.8 | Very high | 67 Ų | 67 | 74.1 Ų | 74.1 | 31% | 0.313 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.4 | -40.4 | 174.6 | -160.1 | 63.4 | -167.9 | 0 | 0 | 112.3 | N39 N40 A41 L45 R46 I47 K58 | N39-E43 PolarHBondContact O-N 2.95Å; N40-E43 WeakPolarHBondContact O-CB 3.41Å; N40-E43 PolarHBondContact O-N 3.36Å; N40-E43 VanDerWaalsContact O-N 3.13Å; A41-E43 VanDerWaalsContact C-N 3.29Å; A41-E43 PolarHBondContact O-N 3.4Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 3.49Å; E43-R46 WeakPolarHBondContact O-CB 3.37Å; E43-R46 PolarHBondContact O-N 2.81Å; E43-R46 IonicContact OE2-CZ 3.33Å; E43-R46 IonicContact OE2-NH1 2.69Å; E43-R46 PolarHBondContact OE2-NH1 3.09Å; E43-I47 WeakPolarHBondContact O-CG1 3.13Å; E43-I47 PolarHBondContact O-N 3.03Å; E43-I47 VanDerWaalsContact O-N 3.09Å; E43-K58 IonicContact OE1-NZ 3.75Å; E43-K58 WeakPolarHBondContact OE2-CE 3.41Å; E43-K58 IonicContact OE2-NZ 2.71Å; E43-K58 PolarHBondContact OE2-NZ 3.01Å |
| 44 | Q | 93.8 | Very high | 89 | Confident | 124 Ų | 124 | 76.9 Ų | 76.9 | 58% | 0.579 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.2 | -40.3 | 172.2 | -65.1 | -57.6 | -34.2 | 0 | 0 | 111.5 | N40 A41 R46 I47 | N40-Q44 WeakPolarHBondContact O-CG 3.18Å; N40-Q44 PolarHBondContact O-N 3.34Å; A41-Q44 PolarHBondContact O-N 2.83Å; Q44-R46 VanDerWaalsContact C-N 3.33Å; Q44-R46 PolarHBondContact O-N 3.23Å; Q44-I47 PolarHBondContact O-N 3.47Å |
| 45 | L | 94.3 | Very high | 87.3 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 25% | 0.246 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 172.6 | -179.8 | 57.8 | 0 | 0 | 0 | 111.5 | A41 L42 E43 I47 I48 L49 T64 L65 A68 | A41-L45 PolarHBondContact O-N 2.61Å; L42-L45 HydrophobicContact CD1-CD2 4.4Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 2.76Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 3.49Å; L45-I47 PolarHBondContact O-N 3.41Å; L45-I48 HydrophobicContact CD1-CD1 3.89Å; L45-I48 HydrophobicContact CD1-CG1 4.09Å; L45-I48 WeakPolarHBondContact O-CG1 3.39Å; L45-I48 PolarHBondContact O-N 3.07Å; L45-L49 HydrophobicContact CG-CD1 4.42Å; L45-L49 WeakPolarHBondContact O-CG 3.5Å; L45-L49 PolarHBondContact O-N 3.44Å; L45-T64 HydrophobicContact CD2-CG2 4.03Å; L45-T64 HydrophobicContact CG-CG2 4.08Å; L45-L65 HydrophobicContact CD2-CD2 4.41Å; L45-A68 HydrophobicContact CD1-CB 3.93Å; L45-A68 HydrophobicContact CD2-CB 3.94Å; L45-A68 HydrophobicContact CG-CB 4.27Å |
| 46 | R | 93.2 | Very high | 85.8 | Confident | 19 Ų | 19 | 79.4 Ų | 79.4 | 7% | 0.072 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 176 | -71.6 | -176.8 | -176.2 | 91.7 | 9.8 | 111.2 | L42 E43 Q44 I48 L49 S52 L59 T64 | L42-R46 WeakPolarHBondContact O-CG 3.46Å; L42-R46 PolarHBondContact O-N 3.35Å; E43-R46 WeakPolarHBondContact O-CB 3.37Å; E43-R46 PolarHBondContact O-N 2.81Å; E43-R46 IonicContact OE2-CZ 3.33Å; E43-R46 IonicContact OE2-NH1 2.69Å; E43-R46 PolarHBondContact OE2-NH1 3.09Å; Q44-R46 VanDerWaalsContact C-N 3.33Å; Q44-R46 PolarHBondContact O-N 3.23Å; R46-I48 PolarHBondContact O-N 3.46Å; R46-L49 PolarHBondContact O-N 3.13Å; R46-S52 PolarHBondContact O-OG 3.29Å; R46-L59 PolarHBondContact NE-O 2.98Å; R46-L59 VanDerWaalsContact NE-O 3.07Å; R46-L59 PolarHBondContact NH2-O 3.33Å; R46-T64 HydrophobicContact CG-CG2 3.68Å; R46-T64 PolarHBondContact NE-OG1 3.34Å; R46-T64 PolarHBondContact NH2-OG1 3.07Å |
| 47 | I | 90.9 | Very high | 84.8 | Confident | 104 Ų | 104 | 79.8 Ų | 79.8 | 53% | 0.533 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -53.2 | -35.7 | -176.2 | -66.3 | 164.6 | 0 | 0 | 0 | 112.9 | E43 Q44 L45 | E43-I47 WeakPolarHBondContact O-CG1 3.13Å; E43-I47 PolarHBondContact O-N 3.03Å; E43-I47 VanDerWaalsContact O-N 3.09Å; Q44-I47 PolarHBondContact O-N 3.47Å; L45-I47 PolarHBondContact O-N 3.41Å |
| 48 | I | 91.9 | Very high | 84.2 | Confident | 109 Ų | 109 | 83.1 Ų | 83.1 | 56% | 0.559 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -85 | -11.2 | -178.7 | 65.6 | 164.5 | 0 | 0 | 0 | 114.3 | L45 R46 | L45-I48 HydrophobicContact CD1-CD1 3.89Å; L45-I48 HydrophobicContact CD1-CG1 4.09Å; L45-I48 WeakPolarHBondContact O-CG1 3.39Å; L45-I48 PolarHBondContact O-N 3.07Å; R46-I48 PolarHBondContact O-N 3.46Å |
| 49 | L | 89.9 | Confident | 83.7 | Confident | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.021 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -79.7 | 132.5 | -177.6 | -70.8 | 173.2 | 0 | 0 | 0 | 111.5 | L45 R46 H51 S52 T64 R67 A68 Y71 | L45-L49 HydrophobicContact CG-CD1 4.42Å; L45-L49 WeakPolarHBondContact O-CG 3.5Å; L45-L49 PolarHBondContact O-N 3.44Å; R46-L49 PolarHBondContact O-N 3.13Å; L49-H51 PolarHBondContact O-N 3.43Å; L49-S52 PolarHBondContact O-N 2.97Å; L49-S52 PolarHBondContact O-OG 2.97Å; L49-T64 HydrophobicContact CD1-CG2 3.86Å; L49-T64 WeakPolarHBondContact CD1-O 3.38Å; L49-R67 HydrophobicContact CD1-CB 4.03Å; L49-R67 HydrophobicContact CD2-CB 4.5Å; L49-A68 HydrophobicContact CD1-CB 4.48Å; L49-A68 VanDerWaalsContact CD2-CA 3.42Å; L49-A68 HydrophobicContact CD2-CB 3.87Å; L49-Y71 HydrophobicContact CD2-CD1 4.12Å |
| 50 | P | 86.2 | Confident | 83.5 | Confident | 54 Ų | 54 | 79.7 Ų | 79.7 | 35% | 0.351 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 138 | 172.8 | -24.6 | 32.8 | 0 | 0 | 0 | 112 | S52 Y71 | P50-S52 PolarHBondContact O-N 3.43Å; P50-S52 VanDerWaalsContact O-N 3.07Å; P50-Y71 HydrophobicContact CG-CD1 4.39Å; P50-Y71 HydrophobicContact CG-CD2 3.46Å; P50-Y71 VanDerWaalsContact CG-CD2 3.46Å; P50-Y71 HydrophobicContact CG-CE1 4.3Å; P50-Y71 HydrophobicContact CG-CE2 3.36Å; P50-Y71 HydrophobicContact CG-CG 4Å |
| 51 | H | 73 | Confident | 83.3 | Confident | 142 Ų | 142 | 80 Ų | 80 | 66% | 0.657 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | -14.2 | 178.9 | -50.2 | -71.3 | 0 | 0 | 0 | 117.6 | L49 S53 C54 E55 | L49-H51 PolarHBondContact O-N 3.43Å; H51-S53 VanDerWaalsContact C-N 3.29Å; H51-S53 PolarHBondContact O-N 3.39Å; H51-C54 PolarHBondContact O-N 3.32Å; H51-E55 PolarHBondContact O-N 3.44Å |
| 52 | S | 66.7 | Low | 83.2 | Confident | 21 Ų | 21 | 81.6 Ų | 81.6 | 15% | 0.147 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17.5 | -177 | 69.5 | 0 | 0 | 0 | 0 | 114.6 | R46 L49 P50 | R46-S52 PolarHBondContact O-OG 3.29Å; L49-S52 PolarHBondContact O-N 2.97Å; L49-S52 PolarHBondContact O-OG 2.97Å; P50-S52 PolarHBondContact O-N 3.43Å; P50-S52 VanDerWaalsContact O-N 3.07Å |
| 53 | S | 60.8 | Low | 83 | Confident | 104 Ų | 104 | 84.8 Ų | 84.8 | 73% | 0.727 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -19.8 | 176.7 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | H51 | H51-S53 VanDerWaalsContact C-N 3.29Å; H51-S53 PolarHBondContact O-N 3.39Å |
| 54 | C | 60.8 | Low | 83 | Confident | 117 Ų | 117 | 81.6 Ų | 81.6 | 79% | 0.791 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -30.5 | -177.4 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | H51 S56 | H51-C54 PolarHBondContact O-N 3.32Å; C54-S56 PolarHBondContact O-N 3.31Å |
| 55 | E | 62.1 | Low | 83 | Confident | 123 Ų | 123 | 80.4 Ų | 80.4 | 58% | 0.575 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -85.5 | 116.9 | 178.2 | -148.6 | 136.6 | -134.2 | 0 | 0 | 108.7 | H51 I57 | H51-E55 PolarHBondContact O-N 3.44Å; E55-I57 PolarHBondContact O-N 2.98Å |
| 56 | S | 66.2 | Low | 82.9 | Confident | 127 Ų | 127 | 83.3 Ų | 83.3 | 89% | 0.888 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -54 | -11.4 | 177.8 | 60.4 | 0 | 0 | 0 | 0 | 114.4 | C54 | C54-S56 PolarHBondContact O-N 3.31Š|
| 57 | I | 77.6 | Confident | 82.8 | Confident | 122 Ų | 122 | 88 Ų | 88 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -92.6 | 116.4 | -177.1 | -55.3 | 175 | 0 | 0 | 0 | 109.6 | E55 L59 | E55-I57 PolarHBondContact O-N 2.98Å; I57-L59 PolarHBondContact O-N 2.99Å |
| 58 | K | 83.4 | Confident | 83 | Confident | 132 Ų | 132 | 83.6 Ų | 83.6 | 57% | 0.574 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 118.8 | 172 | -176 | 174.1 | -170.6 | 146.8 | 0 | 110.9 | E43 | E43-K58 IonicContact OE1-NZ 3.75Å; E43-K58 WeakPolarHBondContact OE2-CE 3.41Å; E43-K58 IonicContact OE2-NZ 2.71Å; E43-K58 PolarHBondContact OE2-NZ 3.01Å |
| 59 | L | 87.6 | Confident | 83.1 | Confident | 24 Ų | 24 | 82.3 Ų | 82.3 | 13% | 0.126 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 139 | 173.4 | -65.9 | 174.4 | 0 | 0 | 0 | 111.9 | R46 I57 E63 R67 | R46-L59 PolarHBondContact NE-O 2.98Å; R46-L59 VanDerWaalsContact NE-O 3.07Å; R46-L59 PolarHBondContact NH2-O 3.33Å; I57-L59 PolarHBondContact O-N 2.99Å; L59-E63 HydrophobicContact CB-CB 4.35Å; L59-E63 HydrophobicContact CD2-CB 4.38Å; L59-R67 HydrophobicContact CD1-CG 4.39Å |
| 60 | S | 92.5 | Very high | 83.2 | Confident | 47 Ų | 47 | 84.2 Ų | 84.2 | 33% | 0.329 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 164.1 | 172.5 | 72.7 | 0 | 0 | 0 | 0 | 111.5 | I62 E63 T64 | S60-I62 VanDerWaalsContact C-N 3.28Å; S60-I62 PolarHBondContact O-N 3.07Å; S60-I62 WeakPolarHBondContact OG-CG2 3.49Å; S60-E63 WeakPolarHBondContact CB-OE2 3.4Å; S60-E63 PolarHBondContact N-OE2 2.63Å; S60-E63 PolarHBondContact O-N 3.34Å; S60-E63 WeakPolarHBondContact OG-CB 3.43Å; S60-E63 VanDerWaalsContact OG-CD 3.24Å; S60-E63 WeakPolarHBondContact OG-CG 3.37Å; S60-E63 PolarHBondContact OG-N 3.3Å; S60-E63 PolarHBondContact OG-OE2 2.92Å; S60-T64 WeakPolarHBondContact O-CB 3.49Å; S60-T64 PolarHBondContact O-N 3.44Å; S60-T64 PolarHBondContact O-OG1 3.38Å |
| 61 | K | 93.3 | Very high | 83.5 | Confident | 112 Ų | 112 | 85.2 Ų | 85.2 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 179.7 | -63.4 | -169.4 | 170.9 | -176 | 0 | 111.5 | N39 L42 L65 | N39-K61 PolarHBondContact OD1-NZ 3.3Å; L42-K61 HydrophobicContact CD2-CB 4.13Å; L42-K61 HydrophobicContact CD2-CD 4.31Å; L42-K61 HydrophobicContact CD2-CG 3.69Å; K61-L65 WeakPolarHBondContact O-CG 3.1Å; K61-L65 PolarHBondContact O-N 3.03Å |
| 62 | I | 94.2 | Very high | 84.5 | Confident | 92 Ų | 92 | 83.1 Ų | 83.1 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70 | -40.3 | -179 | -175.8 | 59.7 | 0 | 0 | 0 | 111.9 | S60 L65 R66 | S60-I62 VanDerWaalsContact C-N 3.28Å; S60-I62 PolarHBondContact O-N 3.07Å; S60-I62 WeakPolarHBondContact OG-CG2 3.49Å; I62-L65 PolarHBondContact O-N 2.97Å; I62-R66 WeakPolarHBondContact O-CG 3.34Å; I62-R66 PolarHBondContact O-N 3.26Å |
| 63 | E | 91.3 | Very high | 85.7 | Confident | 90 Ų | 90 | 84.1 Ų | 84.1 | 42% | 0.421 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 177.4 | -71.3 | 167.1 | 130.6 | 0 | 0 | 112 | L59 S60 L65 R66 R67 | L59-E63 HydrophobicContact CB-CB 4.35Å; L59-E63 HydrophobicContact CD2-CB 4.38Å; S60-E63 WeakPolarHBondContact CB-OE2 3.4Å; S60-E63 PolarHBondContact N-OE2 2.63Å; S60-E63 PolarHBondContact O-N 3.34Å; S60-E63 WeakPolarHBondContact OG-CB 3.43Å; S60-E63 VanDerWaalsContact OG-CD 3.24Å; S60-E63 WeakPolarHBondContact OG-CG 3.37Å; S60-E63 PolarHBondContact OG-N 3.3Å; S60-E63 PolarHBondContact OG-OE2 2.92Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 3.39Å; E63-R66 PolarHBondContact O-N 2.85Å; E63-R67 WeakPolarHBondContact O-CB 3.49Å; E63-R67 WeakPolarHBondContact O-CG 3.33Å; E63-R67 PolarHBondContact O-N 2.82Å |
| 64 | T | 92.5 | Very high | 87 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.4 | -44.7 | 175.9 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | L42 L45 R46 L49 S60 A68 | L42-T64 HydrophobicContact CD1-CG2 3.71Å; L42-T64 HydrophobicContact CG-CG2 4.26Å; L45-T64 HydrophobicContact CD2-CG2 4.03Å; L45-T64 HydrophobicContact CG-CG2 4.08Å; R46-T64 HydrophobicContact CG-CG2 3.68Å; R46-T64 PolarHBondContact NE-OG1 3.34Å; R46-T64 PolarHBondContact NH2-OG1 3.07Å; L49-T64 HydrophobicContact CD1-CG2 3.86Å; L49-T64 WeakPolarHBondContact CD1-O 3.38Å; S60-T64 WeakPolarHBondContact O-CB 3.49Å; S60-T64 PolarHBondContact O-N 3.44Å; S60-T64 PolarHBondContact O-OG1 3.38Å; T64-A68 WeakPolarHBondContact O-CB 3.33Å; T64-A68 PolarHBondContact O-N 3.46Å |
| 65 | L | 95.1 | Very high | 88.5 | Confident | 98 Ų | 98 | 79.5 Ų | 79.5 | 51% | 0.513 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 178.5 | -65.3 | 175.2 | 0 | 0 | 0 | 112.4 | L42 L45 K61 I62 E63 A68 R69 | L42-L65 HydrophobicContact CD1-CD2 4.48Å; L45-L65 HydrophobicContact CD2-CD2 4.41Å; K61-L65 WeakPolarHBondContact O-CG 3.1Å; K61-L65 PolarHBondContact O-N 3.03Å; I62-L65 PolarHBondContact O-N 2.97Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 3.39Å; L65-A68 PolarHBondContact O-N 3.03Å; L65-R69 PolarHBondContact O-N 2.95Å |
| 66 | R | 92.3 | Very high | 89.9 | Confident | 109 Ų | 109 | 77.6 Ų | 77.6 | 41% | 0.411 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.8 | -50.1 | 175.6 | -73.2 | 175.1 | 176.9 | 173.4 | -1.8 | 111.1 | I62 E63 A68 R69 D70 | I62-R66 WeakPolarHBondContact O-CG 3.34Å; I62-R66 PolarHBondContact O-N 3.26Å; E63-R66 PolarHBondContact O-N 2.85Å; R66-A68 VanDerWaalsContact C-N 3.31Å; R66-A68 PolarHBondContact O-N 3.37Å; R66-R69 WeakPolarHBondContact O-CB 3.24Å; R66-R69 PolarHBondContact O-N 2.99Å; R66-D70 PolarHBondContact O-N 2.85Å |
| 67 | R | 91.2 | Very high | 90.9 | Very high | 116 Ų | 116 | 73.4 Ų | 73.4 | 44% | 0.438 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 177.5 | -69.9 | -64.6 | -179.2 | 91.2 | 2.3 | 112.4 | L49 L59 E63 D70 Y71 | L49-R67 HydrophobicContact CD1-CB 4.03Å; L49-R67 HydrophobicContact CD2-CB 4.5Å; L59-R67 HydrophobicContact CD1-CG 4.39Å; E63-R67 WeakPolarHBondContact O-CB 3.49Å; E63-R67 WeakPolarHBondContact O-CG 3.33Å; E63-R67 PolarHBondContact O-N 2.82Å; R67-D70 PolarHBondContact O-N 3.43Å; R67-Y71 VanDerWaalsContact O-CB 3.24Å; R67-Y71 WeakPolarHBondContact O-CB 3.5Å; R67-Y71 PolarHBondContact O-N 3.24Å |
| 68 | A | 94.4 | Very high | 91.5 | Very high | 12 Ų | 12 | 73.5 Ų | 73.5 | 10% | 0.099 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L45 L49 T64 L65 R66 Y71 I72 | L45-A68 HydrophobicContact CD1-CB 3.93Å; L45-A68 HydrophobicContact CD2-CB 3.94Å; L45-A68 HydrophobicContact CG-CB 4.27Å; L49-A68 HydrophobicContact CD1-CB 4.48Å; L49-A68 VanDerWaalsContact CD2-CA 3.42Å; L49-A68 HydrophobicContact CD2-CB 3.87Å; T64-A68 WeakPolarHBondContact O-CB 3.33Å; T64-A68 PolarHBondContact O-N 3.46Å; L65-A68 PolarHBondContact O-N 3.03Å; R66-A68 VanDerWaalsContact C-N 3.31Å; R66-A68 PolarHBondContact O-N 3.37Å; A68-Y71 PolarHBondContact O-N 3.43Å; A68-I72 VanDerWaalsContact O-CG1 3.3Å; A68-I72 WeakPolarHBondContact O-CG1 3.3Å; A68-I72 PolarHBondContact O-N 3.33Å |
| 69 | R | 94.2 | Very high | 91.8 | Very high | 82 Ų | 82 | 74.3 Ų | 74.3 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.2 | -50.3 | 173.5 | 174.7 | -159.1 | 60.7 | -149 | -6 | 110.9 | L65 R66 Y71 I72 I73 | L65-R69 PolarHBondContact O-N 2.95Å; R66-R69 WeakPolarHBondContact O-CB 3.24Å; R66-R69 PolarHBondContact O-N 2.99Å; R69-Y71 VanDerWaalsContact C-N 3.26Å; R69-Y71 PolarHBondContact O-N 3.05Å; R69-I72 PolarHBondContact O-N 3.41Å; R69-I73 HydrophobicContact CG-CD1 3.97Å; R69-I73 WeakPolarHBondContact O-CG1 3.47Å; R69-I73 PolarHBondContact O-N 3.36Å |
| 70 | D | 90.9 | Very high | 91.9 | Very high | 44 Ų | 44 | 79 Ų | 79 | 24% | 0.235 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.7 | -37.5 | -177.6 | -56.5 | -15.8 | 0 | 0 | 0 | 110.7 | R66 R67 I73 S74 | R66-D70 PolarHBondContact O-N 2.85Å; R67-D70 PolarHBondContact O-N 3.43Å; D70-I73 PolarHBondContact O-N 3.39Å; D70-S74 WeakPolarHBondContact O-CB 3.4Å; D70-S74 PolarHBondContact O-N 2.94Å |
| 71 | Y | 93.8 | Very high | 91.1 | Very high | 75 Ų | 75 | 80.3 Ų | 80.3 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.5 | -47.7 | 175.5 | -176.3 | -138.6 | 0 | 0 | 0 | 112.2 | L49 P50 R67 A68 R69 I73 S74 L75 | L49-Y71 HydrophobicContact CD2-CD1 4.12Å; P50-Y71 HydrophobicContact CG-CD1 4.39Å; P50-Y71 HydrophobicContact CG-CD2 3.46Å; P50-Y71 VanDerWaalsContact CG-CD2 3.46Å; P50-Y71 HydrophobicContact CG-CE1 4.3Å; P50-Y71 HydrophobicContact CG-CE2 3.36Å; P50-Y71 HydrophobicContact CG-CG 4Å; R67-Y71 VanDerWaalsContact O-CB 3.24Å; R67-Y71 WeakPolarHBondContact O-CB 3.5Å; R67-Y71 PolarHBondContact O-N 3.24Å; A68-Y71 PolarHBondContact O-N 3.43Å; R69-Y71 VanDerWaalsContact C-N 3.26Å; R69-Y71 PolarHBondContact O-N 3.05Å; Y71-I73 VanDerWaalsContact C-N 3.3Å; Y71-I73 PolarHBondContact O-N 3.32Å; Y71-S74 PolarHBondContact O-N 3.25Å; Y71-S74 PolarHBondContact O-OG 2.97Å; Y71-L75 HydrophobicContact CD1-CD1 4.25Å; Y71-L75 HydrophobicContact CD2-CD1 4.26Å; Y71-L75 HydrophobicContact CD2-CD2 4.48Å; Y71-L75 HydrophobicContact CD2-CG 4.05Å; Y71-L75 HydrophobicContact CE1-CD1 3.91Å; Y71-L75 HydrophobicContact CE2-CD1 3.9Å; Y71-L75 HydrophobicContact CE2-CD2 3.76Å; Y71-L75 HydrophobicContact CE2-CG 3.76Å; Y71-L75 HydrophobicContact CG-CD1 4.43Å; Y71-L75 WeakPolarHBondContact O-CG 3.33Å; Y71-L75 PolarHBondContact O-N 2.71Å |
| 72 | I | 94 | Very high | 89.6 | Confident | 98 Ų | 98 | 79 Ų | 79 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.2 | -45.8 | 176.1 | -69.5 | 164.7 | 0 | 0 | 0 | 110.8 | A68 R69 L75 I76 | A68-I72 VanDerWaalsContact O-CG1 3.3Å; A68-I72 WeakPolarHBondContact O-CG1 3.3Å; A68-I72 PolarHBondContact O-N 3.33Å; R69-I72 PolarHBondContact O-N 3.41Å; I72-L75 PolarHBondContact O-N 3.36Å; I72-I76 HydrophobicContact CG2-CD1 3.85Å; I72-I76 WeakPolarHBondContact O-CG1 3.37Å; I72-I76 PolarHBondContact O-N 3.28Å |
| 73 | I | 90.8 | Very high | 88.1 | Confident | 43 Ų | 43 | 80.1 Ų | 80.1 | 22% | 0.221 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 178.5 | -64 | 165.5 | 0 | 0 | 0 | 110.6 | R69 D70 Y71 L75 I76 D77 | R69-I73 HydrophobicContact CG-CD1 3.97Å; R69-I73 WeakPolarHBondContact O-CG1 3.47Å; R69-I73 PolarHBondContact O-N 3.36Å; D70-I73 PolarHBondContact O-N 3.39Å; Y71-I73 VanDerWaalsContact C-N 3.3Å; Y71-I73 PolarHBondContact O-N 3.32Å; I73-L75 VanDerWaalsContact C-N 3.26Å; I73-L75 PolarHBondContact O-N 3.03Å; I73-I76 WeakPolarHBondContact O-CB 3.22Å; I73-I76 PolarHBondContact O-N 3.18Å; I73-I76 VanDerWaalsContact O-N 3.11Å; I73-D77 PolarHBondContact O-N 3.35Å |
| 74 | S | 89.6 | Confident | 86.3 | Confident | 54 Ų | 54 | 84.1 Ų | 84.1 | 38% | 0.378 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.3 | -35.2 | 178.6 | 74.7 | 0 | 0 | 0 | 0 | 113.2 | D70 Y71 L78 | D70-S74 WeakPolarHBondContact O-CB 3.4Å; D70-S74 PolarHBondContact O-N 2.94Å; Y71-S74 PolarHBondContact O-N 3.25Å; Y71-S74 PolarHBondContact O-OG 2.97Å; S74-L78 WeakPolarHBondContact O-CB 3.26Å; S74-L78 PolarHBondContact O-N 2.91Å |
| 75 | L | 90.8 | Very high | 84.5 | Confident | 69 Ų | 69 | 87.1 Ų | 87.1 | 36% | 0.361 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.8 | -41.9 | 175.5 | -69.4 | 176.1 | 0 | 0 | 0 | 111.2 | Y71 I72 I73 D77 L78 L79 | Y71-L75 HydrophobicContact CD1-CD1 4.25Å; Y71-L75 HydrophobicContact CD2-CD1 4.26Å; Y71-L75 HydrophobicContact CD2-CD2 4.48Å; Y71-L75 HydrophobicContact CD2-CG 4.05Å; Y71-L75 HydrophobicContact CE1-CD1 3.91Å; Y71-L75 HydrophobicContact CE2-CD1 3.9Å; Y71-L75 HydrophobicContact CE2-CD2 3.76Å; Y71-L75 HydrophobicContact CE2-CG 3.76Å; Y71-L75 HydrophobicContact CG-CD1 4.43Å; Y71-L75 WeakPolarHBondContact O-CG 3.33Å; Y71-L75 PolarHBondContact O-N 2.71Å; I72-L75 PolarHBondContact O-N 3.36Å; I73-L75 VanDerWaalsContact C-N 3.26Å; I73-L75 PolarHBondContact O-N 3.03Å; L75-D77 VanDerWaalsContact C-N 3.33Å; L75-L78 PolarHBondContact O-N 3.34Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.14Å; L75-L79 PolarHBondContact O-N 2.87Å |
| 76 | I | 92.3 | Very high | 82.4 | Confident | 84 Ų | 84 | 90.1 Ų | 90.1 | 43% | 0.431 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 174.7 | -68.7 | 165.7 | 0 | 0 | 0 | 110.2 | I72 I73 L79 N80 | I72-I76 HydrophobicContact CG2-CD1 3.85Å; I72-I76 WeakPolarHBondContact O-CG1 3.37Å; I72-I76 PolarHBondContact O-N 3.28Å; I73-I76 WeakPolarHBondContact O-CB 3.22Å; I73-I76 PolarHBondContact O-N 3.18Å; I73-I76 VanDerWaalsContact O-N 3.11Å; I76-L79 PolarHBondContact O-N 3.11Å; I76-N80 WeakPolarHBondContact CG2-ND2 3.33Å; I76-N80 WeakPolarHBondContact O-CB 3.28Å; I76-N80 PolarHBondContact O-N 2.99Å; I76-N80 PolarHBondContact O-ND2 3.21Å; I76-N80 VanDerWaalsContact O-ND2 3.15Å |
| 77 | D | 87.1 | Confident | 80.6 | Confident | 39 Ų | 39 | 92 Ų | 92 | 21% | 0.209 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 176.9 | -71 | -22.5 | 0 | 0 | 0 | 111.7 | I73 L75 L79 N80 K81 I89 | I73-D77 PolarHBondContact O-N 3.35Å; L75-D77 VanDerWaalsContact C-N 3.33Å; D77-L79 VanDerWaalsContact C-N 3.27Å; D77-L79 PolarHBondContact O-N 3.2Å; D77-N80 PolarHBondContact O-N 3.27Å; D77-N80 VanDerWaalsContact O-N 3.17Å; D77-K81 VanDerWaalsContact O-CB 3.28Å; D77-K81 WeakPolarHBondContact O-CB 3.43Å; D77-K81 WeakPolarHBondContact O-CG 3.47Å; D77-K81 PolarHBondContact O-N 3.28Å; D77-I89 VanDerWaalsContact OD2-CD1 3.22Å; D77-I89 WeakPolarHBondContact OD2-CD1 3.49Å |
| 78 | L | 89.8 | Confident | 78.8 | Confident | 123 Ų | 123 | 92.3 Ų | 92.3 | 64% | 0.644 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.2 | -38.4 | 176.3 | -178.7 | 64.3 | 0 | 0 | 0 | 111.9 | S74 L75 | S74-L78 WeakPolarHBondContact O-CB 3.26Å; S74-L78 PolarHBondContact O-N 2.91Å; L75-L78 PolarHBondContact O-N 3.34Å |
| 79 | L | 91.3 | Very high | 76.9 | Confident | 150 Ų | 150 | 96.1 Ų | 96.1 | 79% | 0.785 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.6 | -31.1 | 176.4 | -69 | 172.3 | 0 | 0 | 0 | 112.8 | L75 I76 D77 | L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.14Å; L75-L79 PolarHBondContact O-N 2.87Å; I76-L79 PolarHBondContact O-N 3.11Å; D77-L79 VanDerWaalsContact C-N 3.27Å; D77-L79 PolarHBondContact O-N 3.2Å |
| 80 | N | 89.5 | Confident | 75 | Confident | 121 Ų | 121 | 98 Ų | 98 | 65% | 0.647 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -87.6 | -24.3 | 179.6 | -71.7 | -34.5 | 0 | 0 | 0 | 113.8 | I76 D77 S82 | I76-N80 WeakPolarHBondContact CG2-ND2 3.33Å; I76-N80 WeakPolarHBondContact O-CB 3.28Å; I76-N80 PolarHBondContact O-N 2.99Å; I76-N80 PolarHBondContact O-ND2 3.21Å; I76-N80 VanDerWaalsContact O-ND2 3.15Å; D77-N80 PolarHBondContact O-N 3.27Å; D77-N80 VanDerWaalsContact O-N 3.17Å; N80-S82 PolarHBondContact O-N 3.14Å |
| 81 | K | 74.9 | Confident | 73.2 | Confident | 75 Ų | 75 | 98.7 Ų | 98.7 | 33% | 0.326 | 53% | 0.53 | S | S | . | . | trans | -71.1 | 95.7 | 177.6 | -77.3 | 171.1 | -177.5 | -125.7 | 0 | 109.2 | D77 S85 Q87 | D77-K81 VanDerWaalsContact O-CB 3.28Å; D77-K81 WeakPolarHBondContact O-CB 3.43Å; D77-K81 WeakPolarHBondContact O-CG 3.47Å; D77-K81 PolarHBondContact O-N 3.28Å; K81-S85 PolarHBondContact NZ-O 2.95Å; K81-Q87 PolarHBondContact NZ-O 3.17Å; K81-Q87 VanDerWaalsContact NZ-O 3.14Å | ||
| 82 | S | 61.9 | Low | 71.3 | Confident | 86 Ų | 86 | 101.1 Ų | 101.1 | 60% | 0.601 | 55% | 0.548 | S | S | * | . | trans | -47.4 | 139.3 | 149.8 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | N80 H84 | N80-S82 PolarHBondContact O-N 3.14Å; S82-H84 PolarHBondContact O-N 3.25Å | ||
| 83 | P | 62.1 | Low | 69.1 | Low | 115 Ų | 115 | 100.7 Ų | 100.7 | 75% | 0.747 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | 19.2 | -161.6 | 16.7 | -31.8 | 0 | 0 | 0 | 119.3 | ||
| 84 | H | 54.4 | Low | 67.1 | Low | 173 Ų | 173 | 103.7 Ų | 103.7 | 80% | 0.801 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | 12.5 | -168.5 | -62.2 | -53.2 | 0 | 0 | 0 | 116.8 | S82 | S82-H84 PolarHBondContact O-N 3.25Š|
| 85 | S | 54.3 | Low | 65.4 | Low | 63 Ų | 63 | 105.1 Ų | 105.1 | 44% | 0.441 | 57% | 0.572 | S | S | . | * | trans | -125.8 | 87.5 | 177.8 | 61.8 | 0 | 0 | 0 | 0 | 115.2 | K81 Q87 | K81-S85 PolarHBondContact NZ-O 2.95Å; S85-Q87 PolarHBondContact O-N 2.79Å | ||
| 86 | N | 50.9 | Low | 63.3 | Low | 162 Ų | 162 | 110 Ų | 110 | 87% | 0.866 | 59% | 0.593 | S | S | * | * | trans | -82.4 | 86.6 | 169.3 | -69.7 | -30.2 | 0 | 0 | 0 | 110.7 | ||||
| 87 | Q | 53.6 | Low | 60.9 | Low | 148 Ų | 148 | 114.5 Ų | 114.5 | 69% | 0.692 | 61% | 0.612 | S | S | * | * | trans | -132 | 124.3 | 163.9 | -71.5 | -81.8 | -24.2 | 0 | 0 | 108.4 | K81 S85 | K81-Q87 PolarHBondContact NZ-O 3.17Å; K81-Q87 VanDerWaalsContact NZ-O 3.14Å; S85-Q87 PolarHBondContact O-N 2.79Å | ||
| 88 | P | 53.8 | Low | 58.9 | Low | 123 Ų | 123 | 121.6 Ų | 121.6 | 80% | 0.799 | 64% | 0.644 | S | S | * | * | trans | -75.4 | 124.7 | 172.8 | 29 | -29.8 | 0 | 0 | 0 | 109.7 | ||||
| 89 | I | 54.8 | Low | 56.7 | Low | 92 Ų | 92 | 121.3 Ų | 121.3 | 47% | 0.472 | 65% | 0.652 | S | S | . | * | trans | -79.9 | 122.2 | 177.7 | -55.3 | -176.6 | 0 | 0 | 0 | 108.7 | D77 H91 | D77-I89 VanDerWaalsContact OD2-CD1 3.22Å; D77-I89 WeakPolarHBondContact OD2-CD1 3.49Å; I89-H91 PolarHBondContact O-CD2 2.99Å; I89-H91 PolarHBondContact O-N 3.38Å | ||
| 90 | N | 54.1 | Low | 54.3 | Low | 121 Ų | 121 | 129.4 Ų | 129.4 | 65% | 0.647 | 67% | 0.672 | S | S | * | * | trans | -77 | 100.7 | 177.7 | -176.9 | -7.1 | 0 | 0 | 0 | 110 | N92 | N90-N92 VanDerWaalsContact C-N 3.27Å; N90-N92 PolarHBondContact O-N 3.15Å | ||
| 91 | H | 54.4 | Low | 52.5 | Low | 58 Ų | 58 | 129.9 Ų | 129.9 | 27% | 0.269 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -80.9 | 14.6 | -169.8 | -74.1 | -65.2 | 0 | 0 | 0 | 116.3 | I89 S93 | I89-H91 PolarHBondContact O-CD2 2.99Å; I89-H91 PolarHBondContact O-N 3.38Å; H91-S93 VanDerWaalsContact C-N 3.28Å; H91-S93 PolarHBondContact O-N 2.63Å |
| 92 | N | 52.6 | Low | 51.4 | Low | 126 Ų | 126 | 132.7 Ų | 132.7 | 67% | 0.674 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -78 | -3.8 | 179.9 | -73.2 | -21.9 | 0 | 0 | 0 | 114.7 | N90 | N90-N92 VanDerWaalsContact C-N 3.27Å; N90-N92 PolarHBondContact O-N 3.15Å |
| 93 | S | 48.4 | Very low | 50.8 | Low | 89 Ų | 89 | 135.3 Ų | 135.3 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -87.8 | -12.2 | -172 | 51.4 | 0 | 0 | 0 | 0 | 116.5 | H91 | H91-S93 VanDerWaalsContact C-N 3.28Å; H91-S93 PolarHBondContact O-N 2.63Å |
| 94 | I | 49.5 | Very low | 50.1 | Low | 107 Ų | 107 | 136.5 Ų | 136.5 | 55% | 0.549 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -95.2 | -15.5 | -173.8 | -63.7 | 167.3 | 0 | 0 | 0 | 112.8 | ||
| 95 | I | 52.2 | Low | 49.8 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 43% | 0.431 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -90.4 | -13.8 | -173 | -61.9 | 174.6 | 0 | 0 | 0 | 112.8 | Q97 | I95-Q97 PolarHBondContact O-N 2.96Š|
| 96 | E | 46.9 | Very low | 49.5 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -84.8 | 1.3 | -176.1 | -66.5 | -172.1 | 166.6 | 0 | 0 | 115 | ||
| 97 | Q | 41.7 | Very low | 49.4 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -103.3 | -1.9 | -175.4 | -63.8 | -151.9 | -38.5 | 0 | 0 | 116.3 | I95 | I95-Q97 PolarHBondContact O-N 2.96Š|
| 98 | E | 45.8 | Very low | 49.1 | Very low | 188 Ų | 188 | 136.5 Ų | 136.5 | 88% | 0.879 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -109.5 | 21.4 | -175.9 | -71.6 | -170.4 | 155.5 | 0 | 0 | 115.4 | ||
| 99 | S | 42.7 | Very low | 48.7 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | -115.8 | 38 | -178.2 | -162 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 100 | R | 41.7 | Very low | 48.2 | Very low | 320 Ų | 320 | 141.8 Ų | 141.8 | 100% | 1.208 | 70% | 0.703 | S | S | * | * | trans | -118.2 | 0 | 165.1 | -75 | -171.4 | -178.6 | -132.8 | 1.2 | 111.5 |
Retrieved 100 of 100 residues in 29.9 ms
(Link to these results)