| 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 | 54.4 | Low | 83.6 | Confident | 132 Ų | 132 | 68.4 Ų | 68.4 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | 0 | 135.4 | 0 | -147.8 | 156.5 | 167.7 | 0 | 0 | 109.4 | Y7 L50 | M1-Y7 HydrophobicContact CE-CD1 4.49Å; M1-Y7 HydrophobicContact CE-CD2 3.82Å; M1-Y7 HydrophobicContact CE-CE1 4.01Å; M1-Y7 HydrophobicContact CE-CE2 3.28Å; M1-Y7 HydrophobicContact CE-CG 4.39Å; M1-Y7 HydrophobicContact SD-CE2 3.93Å; M1-L50 HydrophobicContact CE-CD1 3.98Å | |||
| 2 | P | 55.2 | Low | 84.5 | Confident | 82 Ų | 82 | 70.8 Ų | 70.8 | 53% | 0.532 | 34% | 0.34 | S | S | . | . | trans | -63.6 | 138.4 | 176.4 | 25.5 | -32.1 | 0 | 0 | 0 | 110.3 | N4 K5 | P2-N4 PolarHBondContact O-N 2.62Å; P2-K5 HydrophobicContact CG-CD 3.87Å; P2-K5 HydrophobicContact CG-CG 4.22Å; P2-K5 PolarHBondContact O-N 2.98Å | ||
| 3 | K | 69 | Low | 85.3 | Confident | 215 Ų | 215 | 71.6 Ų | 71.6 | 94% | 0.935 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -1.5 | -167.1 | -82.6 | -174.8 | 173.7 | -178.3 | 0 | 117.7 | ||
| 4 | N | 87.1 | Confident | 85.9 | Confident | 61 Ų | 61 | 72.1 Ų | 72.1 | 33% | 0.326 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | 30.7 | -171.1 | -135.1 | 20.5 | 0 | 0 | 0 | 113.5 | P2 G52 L53 D55 | P2-N4 PolarHBondContact O-N 2.62Å; N4-G52 WeakPolarHBondContact O-CA 3.36Å; N4-L53 PolarHBondContact ND2-O 3.38Å; N4-L53 VanDerWaalsContact ND2-O 3.17Å; N4-L53 PolarHBondContact O-N 2.77Å; N4-L53 WeakPolarHBondContact OD1-CB 3.5Å; N4-D55 PolarHBondContact ND2-OD1 2.94Å; N4-D55 PolarHBondContact OD1-OD1 3.05Å |
| 5 | K | 91 | Very high | 86.3 | Confident | 81 Ų | 81 | 70.1 Ų | 70.1 | 35% | 0.352 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 146.2 | 174.9 | -57.8 | -172.8 | -171.8 | 177.7 | 0 | 109.4 | P2 L50 V51 I64 | P2-K5 HydrophobicContact CG-CD 3.87Å; P2-K5 HydrophobicContact CG-CG 4.22Å; P2-K5 PolarHBondContact O-N 2.98Å; K5-L50 HydrophobicContact CB-CD1 4.13Å; K5-L50 HydrophobicContact CD-CD2 3.95Å; K5-L50 HydrophobicContact CD-CG 4.38Å; K5-V51 CarbonylContact C-O 3.6Å; K5-V51 WeakPolarHBondContact CA-O 3.43Å; K5-I64 HydrophobicContact CD-CD1 3.75Å; K5-I64 HydrophobicContact CG-CD1 3.86Å |
| 6 | E | 92.1 | Very high | 86.6 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 22% | 0.224 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 148.9 | -179.9 | -170.1 | 50.8 | -95.9 | 0 | 0 | 109 | C23 D25 V51 L53 | E6-C23 HydrophobicContact CG-CB 4.07Å; E6-D25 HydrophobicContact CG-CB 4.43Å; E6-V51 HydrophobicContact CB-CG2 4.1Å; E6-V51 PolarHBondContact N-O 3.29Å; E6-V51 WeakPolarHBondContact O-CG2 3.36Å; E6-V51 PolarHBondContact O-N 2.93Å; E6-L53 HydrophobicContact CB-CD1 4.22Å; E6-L53 HydrophobicContact CB-CD2 4.28Å; E6-L53 HydrophobicContact CB-CG 4.28Å |
| 7 | Y | 93.5 | Very high | 86.8 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 9% | 0.086 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 147.5 | 170.6 | -62.7 | -68.1 | 0 | 0 | 0 | 109.3 | M1 C23 F24 L50 Y67 L75 E80 L81 | M1-Y7 HydrophobicContact CE-CD1 4.49Å; M1-Y7 HydrophobicContact CE-CD2 3.82Å; M1-Y7 HydrophobicContact CE-CE1 4.01Å; M1-Y7 HydrophobicContact CE-CE2 3.28Å; M1-Y7 HydrophobicContact CE-CG 4.39Å; M1-Y7 HydrophobicContact SD-CE2 3.93Å; Y7-C23 WeakPolarHBondContact O-CA 3.25Å; Y7-F24 VanDerWaalsContact C-CD2 3.46Å; Y7-F24 VanDerWaalsContact CB-CD2 3.48Å; Y7-F24 WeakPolarHBondContact O-CD2 3.35Å; Y7-F24 PolarHBondContact O-N 3.45Å; Y7-L50 HydrophobicContact CD1-CD1 3.91Å; Y7-L50 HydrophobicContact CE1-CD1 3.91Å; Y7-Y67 AromaticContact CD1-CE2 3.8Å; Y7-Y67 HydrophobicContact CD1-CE2 3.8Å; Y7-Y67 AromaticContact CE1-CE2 3.66Å; Y7-Y67 HydrophobicContact CE1-CE2 3.66Å; Y7-Y67 AromaticContact CE1-CZ 3.78Å; Y7-Y67 WeakPolarHBondContact CE1-OH 2.84Å; Y7-L75 HydrophobicContact CD1-CD1 4.44Å; Y7-L75 HydrophobicContact CE1-CD1 4.05Å; Y7-L75 HydrophobicContact CE1-CD2 4.21Å; Y7-E80 HydrophobicContact CE2-CB 3.95Å; Y7-E80 HydrophobicContact CE2-CG 4.49Å; Y7-L81 HydrophobicContact CD2-CD2 4.47Å; Y7-L81 HydrophobicContact CG-CD2 4.24Å |
| 8 | A | 94.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 155.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A21 M22 C23 I49 V51 | A8-A21 HydrophobicContact CB-CB 3.8Å; A8-M22 CarbonylContact C-O 3.53Å; A8-M22 VanDerWaalsContact CA-O 3.25Å; A8-M22 WeakPolarHBondContact CA-O 3.3Å; A8-M22 WeakPolarHBondContact CB-O 2.95Å; A8-C23 HydrophobicContact CB-CB 4.36Å; A8-I49 HydrophobicContact CB-CG1 4.09Å; A8-I49 PolarHBondContact N-O 3.21Å; A8-I49 WeakPolarHBondContact O-CG1 3.3Å; A8-I49 PolarHBondContact O-N 3.31Å; A8-V51 HydrophobicContact CB-CG1 4.06Å; A8-V51 HydrophobicContact CB-CG2 4.17Å |
| 9 | Q | 93.9 | Very high | 87.7 | Confident | 42 Ų | 42 | 69.2 Ų | 69.2 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.3 | 170 | 178.7 | 165.4 | 56 | 0 | 0 | 110.3 | I11 A21 M22 F24 S46 D47 I48 K86 | Q9-I11 PolarHBondContact O-N 3.33Å; Q9-A21 CarbonylContact O-C 3.49Å; Q9-A21 WeakPolarHBondContact O-CA 3.42Å; Q9-A21 WeakPolarHBondContact O-CB 3.19Å; Q9-M22 PolarHBondContact N-O 2.86Å; Q9-M22 PolarHBondContact O-N 3.26Å; Q9-F24 HydrophobicContact CB-CZ 4.24Å; Q9-S46 PolarHBondContact NE2-O 3.46Å; Q9-D47 WeakPolarHBondContact CA-O 3.43Å; Q9-I48 HydrophobicContact CB-CD1 3.97Å; Q9-I48 HydrophobicContact CG-CD1 4.12Å; Q9-K86 PolarHBondContact NE2-O 2.89Å |
| 10 | V | 94.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 123.6 | 177.3 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | M13 L19 I43 N44 S46 D47 I49 | V10-M13 HydrophobicContact CG1-SD 4.11Å; V10-L19 HydrophobicContact CG1-CB 4.46Å; V10-L19 HydrophobicContact CG1-CD1 4.3Å; V10-L19 HydrophobicContact CG1-CD2 4.46Å; V10-L19 HydrophobicContact CG2-CD1 4.17Å; V10-L19 HydrophobicContact CG2-CD2 4.18Å; V10-I43 HydrophobicContact CG2-CG2 3.76Å; V10-N44 WeakPolarHBondContact CB-O 3.43Å; V10-N44 WeakPolarHBondContact CG1-O 3.49Å; V10-S46 WeakPolarHBondContact O-CA 3.44Å; V10-S46 PolarHBondContact O-N 2.71Å; V10-D47 HydrophobicContact CG2-CB 4.35Å; V10-D47 PolarHBondContact N-O 3.21Å; V10-I49 HydrophobicContact CG2-CD1 3.92Å; V10-I49 HydrophobicContact CG2-CG1 4.21Å; V10-I49 HydrophobicContact CG2-CG2 4.03Å |
| 11 | I | 94.6 | Very high | 88.5 | Confident | 68 Ų | 68 | 64.2 Ų | 64.2 | 35% | 0.349 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -52.3 | 175.5 | -58.4 | 169.6 | 0 | 0 | 0 | 109.8 | Q9 E20 M22 K28 | Q9-I11 PolarHBondContact O-N 3.33Å; I11-E20 HydrophobicContact CD1-CG 4.32Å; I11-E20 PolarHBondContact N-O 2.83Å; I11-M22 HydrophobicContact CD1-CB 3.67Å; I11-M22 HydrophobicContact CG1-CB 3.87Å; I11-K28 HydrophobicContact CD1-CD 3.93Å; I11-K28 HydrophobicContact CD1-CG 4Å |
| 12 | K | 94.6 | Very high | 90.4 | Very high | 97 Ų | 97 | 61 Ų | 61 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 147.1 | -176.6 | 66.2 | -179 | -154.9 | -136.9 | 0 | 112.3 | L14 L19 E20 | K12-L14 HydrophobicContact CD-CD2 4.31Å; K12-L14 HydrophobicContact CG-CD2 4.35Å; K12-L19 WeakPolarHBondContact O-CA 3.4Å; K12-E20 WeakPolarHBondContact CD-OE2 3.47Å; K12-E20 WeakPolarHBondContact CE-OE2 3.46Å; K12-E20 HydrophobicContact CG-CB 3.77Å; K12-E20 PolarHBondContact N-O 3.06Å; K12-E20 IonicContact NZ-OE2 2.62Å; K12-E20 PolarHBondContact NZ-OE2 3.48Å; K12-E20 PolarHBondContact O-N 2.94Å |
| 13 | M | 94.4 | Very high | 92.2 | Very high | 82 Ų | 82 | 57.1 Ų | 57.1 | 40% | 0.404 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.3 | 171.6 | -61.9 | -60.4 | -79.7 | 0 | 0 | 109.6 | V10 L19 I33 I43 T45 | V10-M13 HydrophobicContact CG1-SD 4.11Å; M13-L19 HydrophobicContact SD-CB 3.75Å; M13-L19 HydrophobicContact SD-CD2 4.1Å; M13-I33 HydrophobicContact CE-CD1 4.22Å; M13-I43 VanDerWaalsContact CE-O 3.27Å; M13-I43 WeakPolarHBondContact CE-O 3.47Å; M13-T45 HydrophobicContact CG-CG2 4.43Å |
| 14 | L | 93.8 | Very high | 93.2 | Very high | 79 Ų | 79 | 49.3 Ų | 49.3 | 41% | 0.414 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -4.4 | -179.8 | -64 | 174.3 | 0 | 0 | 0 | 112.9 | K12 R18 E20 L30 | K12-L14 HydrophobicContact CD-CD2 4.31Å; K12-L14 HydrophobicContact CG-CD2 4.35Å; L14-R18 HydrophobicContact CB-CB 4.09Å; L14-R18 WeakPolarHBondContact CB-O 3.39Å; L14-R18 HydrophobicContact CD1-CB 4.47Å; L14-R18 PolarHBondContact N-O 3.49Å; L14-E20 HydrophobicContact CD1-CB 4.47Å; L14-L30 HydrophobicContact CD1-CD2 3.28Å |
| 15 | G | 91.8 | Very high | 93.3 | Very high | 41 Ų | 41 | 49.8 Ų | 49.8 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.8 | 173.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G17 R18 | G15-G17 PolarHBondContact O-N 2.96Å; G15-R18 PolarHBondContact N-O 2.95Å; G15-R18 PolarHBondContact O-N 2.81Å |
| 16 | N | 91.1 | Very high | 93.2 | Very high | 119 Ų | 119 | 48.3 Ų | 48.3 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 38 | -174.1 | -165 | 9.7 | 0 | 0 | 0 | 112.7 | R18 R38 | N16-R18 VanDerWaalsContact C-N 3.28Å; N16-R18 PolarHBondContact O-N 3.07Å; N16-R38 VanDerWaalsContact C-NH2 3.34Å; N16-R38 PolarHBondContact O-NH2 2.99Å |
| 17 | G | 90.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 14% | 0.144 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.5 | 43.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G15 I33 R38 | G15-G17 PolarHBondContact O-N 2.96Å; G17-I33 WeakPolarHBondContact O-CB 3.37Å; G17-I33 WeakPolarHBondContact O-CG1 3.41Å; G17-I33 PolarHBondContact O-N 3.37Å; G17-R38 PolarHBondContact O-NH2 2.78Å |
| 18 | R | 94.4 | Very high | 93.3 | Very high | 130 Ų | 130 | 52.9 Ų | 52.9 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 150.1 | 160 | -63 | 178.7 | -177.3 | 116.8 | 1.3 | 108.7 | L14 G15 N16 C31 | L14-R18 HydrophobicContact CB-CB 4.09Å; L14-R18 WeakPolarHBondContact CB-O 3.39Å; L14-R18 HydrophobicContact CD1-CB 4.47Å; L14-R18 PolarHBondContact N-O 3.49Å; G15-R18 PolarHBondContact N-O 2.95Å; G15-R18 PolarHBondContact O-N 2.81Å; N16-R18 VanDerWaalsContact C-N 3.28Å; N16-R18 PolarHBondContact O-N 3.07Å; R18-C31 WeakPolarHBondContact CA-O 3.48Å |
| 19 | L | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 161 | 174.4 | 63.8 | 84.2 | 0 | 0 | 0 | 109.8 | V10 K12 M13 A21 C31 I33 I43 I49 V63 | V10-L19 HydrophobicContact CG1-CB 4.46Å; V10-L19 HydrophobicContact CG1-CD1 4.3Å; V10-L19 HydrophobicContact CG1-CD2 4.46Å; V10-L19 HydrophobicContact CG2-CD1 4.17Å; V10-L19 HydrophobicContact CG2-CD2 4.18Å; K12-L19 WeakPolarHBondContact O-CA 3.4Å; M13-L19 HydrophobicContact SD-CB 3.75Å; M13-L19 HydrophobicContact SD-CD2 4.1Å; L19-A21 HydrophobicContact CD1-CB 3.77Å; L19-C31 HydrophobicContact CD1-CB 3.57Å; L19-C31 HydrophobicContact CG-CB 4.02Å; L19-C31 PolarHBondContact N-O 2.91Å; L19-C31 PolarHBondContact O-N 3.01Å; L19-I33 HydrophobicContact CD2-CD1 4.04Å; L19-I33 HydrophobicContact CD2-CG1 3.94Å; L19-I43 HydrophobicContact CD2-CG2 3.87Å; L19-I49 HydrophobicContact CD1-CD1 4Å; L19-V63 HydrophobicContact CD2-CG2 4.23Å |
| 20 | E | 96.4 | Very high | 93.4 | Very high | 34 Ų | 34 | 55.4 Ų | 55.4 | 16% | 0.159 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129 | 168.7 | -173.8 | -179.8 | 167.9 | 0 | 0 | 108.3 | I11 K12 L14 | I11-E20 HydrophobicContact CD1-CG 4.32Å; I11-E20 PolarHBondContact N-O 2.83Å; K12-E20 WeakPolarHBondContact CD-OE2 3.47Å; K12-E20 WeakPolarHBondContact CE-OE2 3.46Å; K12-E20 HydrophobicContact CG-CB 3.77Å; K12-E20 PolarHBondContact N-O 3.06Å; K12-E20 IonicContact NZ-OE2 2.62Å; K12-E20 PolarHBondContact NZ-OE2 3.48Å; K12-E20 PolarHBondContact O-N 2.94Å; L14-E20 HydrophobicContact CD1-CB 4.47Å |
| 21 | A | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 144.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A8 Q9 L19 K28 R29 I49 | A8-A21 HydrophobicContact CB-CB 3.8Å; Q9-A21 CarbonylContact O-C 3.49Å; Q9-A21 WeakPolarHBondContact O-CA 3.42Å; Q9-A21 WeakPolarHBondContact O-CB 3.19Å; L19-A21 HydrophobicContact CD1-CB 3.77Å; A21-K28 WeakPolarHBondContact O-CA 3.29Å; A21-R29 PolarHBondContact N-O 2.74Å; A21-R29 PolarHBondContact O-N 2.69Å; A21-I49 HydrophobicContact CB-CD1 4.09Å |
| 22 | M | 94.9 | Very high | 93.5 | Very high | 64 Ų | 64 | 55.3 Ų | 55.3 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 109 | 169.9 | -173.1 | 71.1 | -169.3 | 0 | 0 | 107.3 | A8 Q9 I11 G26 K28 | A8-M22 CarbonylContact C-O 3.53Å; A8-M22 VanDerWaalsContact CA-O 3.25Å; A8-M22 WeakPolarHBondContact CA-O 3.3Å; A8-M22 WeakPolarHBondContact CB-O 2.95Å; Q9-M22 PolarHBondContact N-O 2.86Å; Q9-M22 PolarHBondContact O-N 3.26Å; I11-M22 HydrophobicContact CD1-CB 3.67Å; I11-M22 HydrophobicContact CG1-CB 3.87Å; M22-G26 VanDerWaalsContact CE-C 3.43Å; M22-G26 WeakPolarHBondContact CE-O 3.48Å; M22-K28 HydrophobicContact SD-CD 4.26Å; M22-K28 HydrophobicContact SD-CG 3.4Å; M22-K28 WeakPolarHBondContact SD-CG 3.42Å |
| 23 | C | 93.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 148.3 | 173 | -65.9 | 0 | 0 | 0 | 0 | 109.9 | E6 Y7 A8 D25 G26 V27 R29 | E6-C23 HydrophobicContact CG-CB 4.07Å; Y7-C23 WeakPolarHBondContact O-CA 3.25Å; A8-C23 HydrophobicContact CB-CB 4.36Å; C23-D25 WeakPolarHBondContact CB-OD1 3.25Å; C23-D25 PolarHBondContact O-N 3Å; C23-G26 PolarHBondContact O-N 3.24Å; C23-V27 VanDerWaalsContact CB-O 3.3Å; C23-V27 WeakPolarHBondContact CB-O 3.36Å; C23-V27 PolarHBondContact N-O 2.79Å; C23-R29 PolarHBondContact SG-NH1 2.95Å |
| 24 | F | 90.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 53.7 Ų | 53.7 | 23% | 0.228 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -5.6 | -178.2 | -72.6 | -74.1 | 0 | 0 | 0 | 113.7 | Y7 Q9 G26 I48 L81 P82 A85 | Y7-F24 VanDerWaalsContact C-CD2 3.46Å; Y7-F24 VanDerWaalsContact CB-CD2 3.48Å; Y7-F24 WeakPolarHBondContact O-CD2 3.35Å; Y7-F24 PolarHBondContact O-N 3.45Å; Q9-F24 HydrophobicContact CB-CZ 4.24Å; F24-G26 PolarHBondContact O-N 3.05Å; F24-I48 HydrophobicContact CE2-CD1 4.36Å; F24-I48 HydrophobicContact CZ-CD1 4.06Å; F24-L81 HydrophobicContact CD2-CD2 3.66Å; F24-L81 HydrophobicContact CE1-CD2 4.32Å; F24-L81 HydrophobicContact CE2-CD2 3.38Å; F24-L81 HydrophobicContact CG-CD2 4.25Å; F24-L81 HydrophobicContact CZ-CD2 3.74Å; F24-P82 HydrophobicContact CD1-CG 3.5Å; F24-P82 VanDerWaalsContact CD1-CG 3.5Å; F24-P82 HydrophobicContact CE1-CG 3.79Å; F24-A85 HydrophobicContact CE1-CB 3.98Å; F24-A85 HydrophobicContact CZ-CB 4.14Å |
| 25 | D | 89 | Confident | 93.1 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -2.8 | 164.9 | 68.5 | -8.4 | 0 | 0 | 0 | 113.6 | E6 C23 V27 R29 | E6-D25 HydrophobicContact CG-CB 4.43Å; C23-D25 WeakPolarHBondContact CB-OD1 3.25Å; C23-D25 PolarHBondContact O-N 3Å; D25-V27 PolarHBondContact OD1-N 3.04Å; D25-R29 IonicContact OD1-CZ 3.93Å; D25-R29 IonicContact OD1-NH1 2.95Å; D25-R29 PolarHBondContact OD1-NH1 3.17Å; D25-R29 IonicContact OD2-CZ 3.15Å; D25-R29 IonicContact OD2-NH1 2.73Å; D25-R29 PolarHBondContact OD2-NH1 3.05Å; D25-R29 IonicContact OD2-NH2 2.69Å; D25-R29 PolarHBondContact OD2-NH2 2.81Å |
| 26 | G | 88.8 | Confident | 92.9 | Very high | 50 Ų | 50 | 58.2 Ų | 58.2 | 52% | 0.515 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 96.3 | -0.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M22 C23 F24 | M22-G26 VanDerWaalsContact CE-C 3.43Å; M22-G26 WeakPolarHBondContact CE-O 3.48Å; C23-G26 PolarHBondContact O-N 3.24Å; F24-G26 PolarHBondContact O-N 3.05Å |
| 27 | V | 91.9 | Very high | 92.7 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | trans | -101.8 | 135.6 | -176 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | C23 D25 R29 | C23-V27 VanDerWaalsContact CB-O 3.3Å; C23-V27 WeakPolarHBondContact CB-O 3.36Å; C23-V27 PolarHBondContact N-O 2.79Å; D25-V27 PolarHBondContact OD1-N 3.04Å; V27-R29 HydrophobicContact CG1-CG 4Å | ||
| 28 | K | 95.1 | Very high | 92.3 | Very high | 121 Ų | 121 | 57.9 Ų | 57.9 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 123.7 | 170.7 | -67.1 | -176.9 | -176.8 | -178.9 | 0 | 109.9 | I11 A21 M22 | I11-K28 HydrophobicContact CD1-CD 3.93Å; I11-K28 HydrophobicContact CD1-CG 4Å; A21-K28 WeakPolarHBondContact O-CA 3.29Å; M22-K28 HydrophobicContact SD-CD 4.26Å; M22-K28 HydrophobicContact SD-CG 3.4Å; M22-K28 WeakPolarHBondContact SD-CG 3.42Å |
| 29 | R | 95.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147.1 | -178.6 | -62.5 | -173.3 | 175.5 | 87.8 | -0.8 | 111.6 | A21 C23 D25 V27 C31 D58 A61 | A21-R29 PolarHBondContact N-O 2.74Å; A21-R29 PolarHBondContact O-N 2.69Å; C23-R29 PolarHBondContact SG-NH1 2.95Å; D25-R29 IonicContact OD1-CZ 3.93Å; D25-R29 IonicContact OD1-NH1 2.95Å; D25-R29 PolarHBondContact OD1-NH1 3.17Å; D25-R29 IonicContact OD2-CZ 3.15Å; D25-R29 IonicContact OD2-NH1 2.73Å; D25-R29 PolarHBondContact OD2-NH1 3.05Å; D25-R29 IonicContact OD2-NH2 2.69Å; D25-R29 PolarHBondContact OD2-NH2 2.81Å; V27-R29 HydrophobicContact CG1-CG 4Å; R29-C31 PolarHBondContact O-N 3.22Å; R29-D58 WeakPolarHBondContact CD-O 3.4Å; R29-D58 WeakPolarHBondContact CG-O 3.47Å; R29-D58 IonicContact CZ-OD1 3.29Å; R29-D58 VanDerWaalsContact CZ-OD1 3.29Å; R29-D58 PolarHBondContact NE-O 2.96Å; R29-D58 IonicContact NE-OD1 3.05Å; R29-D58 PolarHBondContact NE-OD1 2.73Å; R29-D58 VanDerWaalsContact NH2-CG 3.34Å; R29-D58 IonicContact NH2-OD1 2.74Å; R29-D58 PolarHBondContact NH2-OD1 3.03Å; R29-D58 IonicContact NH2-OD2 3.22Å; R29-D58 PolarHBondContact NH2-OD2 3.06Å; R29-A61 HydrophobicContact CB-CB 4.44Å |
| 30 | L | 95.8 | Very high | 91.1 | Very high | 89 Ų | 89 | 68.7 Ų | 68.7 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 111.6 | 168.6 | -75.8 | 165.7 | 0 | 0 | 0 | 108.8 | L14 N59 K60 A61 | L14-L30 HydrophobicContact CD1-CD2 3.28Å; L30-N59 PolarHBondContact N-O 3.44Å; L30-K60 WeakPolarHBondContact O-CA 3.02Å; L30-A61 PolarHBondContact O-N 2.72Å |
| 31 | C | 96.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 138.3 | -176.6 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | R18 L19 R29 A61 V63 | R18-C31 WeakPolarHBondContact CA-O 3.48Å; L19-C31 HydrophobicContact CD1-CB 3.57Å; L19-C31 HydrophobicContact CG-CB 4.02Å; L19-C31 PolarHBondContact N-O 2.91Å; L19-C31 PolarHBondContact O-N 3.01Å; R29-C31 PolarHBondContact O-N 3.22Å; C31-A61 CarbonylContact C-O 3.56Å; C31-A61 VanDerWaalsContact CA-O 3.25Å; C31-A61 WeakPolarHBondContact CA-O 3.36Å; C31-V63 HydrophobicContact CB-CG2 3.78Å |
| 32 | H | 94.9 | Very high | 90.4 | Very high | 67 Ų | 67 | 79.8 Ų | 79.8 | 31% | 0.31 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.7 | 172.7 | -178.2 | -103.1 | 0 | 0 | 0 | 110.8 | R34 R38 A61 D62 V63 | H32-R34 PolarHBondContact O-N 3.46Å; H32-R38 PolarHBondContact NE2-NH2 3.5Å; H32-A61 PolarHBondContact N-O 2.8Å; H32-D62 IonicContact ND1-OD1 3.81Å; H32-D62 WeakPolarHBondContact O-CA 3.4Å; H32-V63 PolarHBondContact O-N 2.99Å |
| 33 | I | 94.4 | Very high | 90.1 | Very high | 12 Ų | 12 | 77.3 Ų | 77.3 | 6% | 0.062 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 115.6 | -179.5 | -52.8 | 172.9 | 0 | 0 | 0 | 108.7 | M13 G17 L19 G35 L37 R38 I43 V63 | M13-I33 HydrophobicContact CE-CD1 4.22Å; G17-I33 WeakPolarHBondContact O-CB 3.37Å; G17-I33 WeakPolarHBondContact O-CG1 3.41Å; G17-I33 PolarHBondContact O-N 3.37Å; L19-I33 HydrophobicContact CD2-CD1 4.04Å; L19-I33 HydrophobicContact CD2-CG1 3.94Å; I33-G35 PolarHBondContact O-N 3Å; I33-L37 HydrophobicContact CG2-CB 3.96Å; I33-R38 HydrophobicContact CB-CG 4.17Å; I33-R38 HydrophobicContact CG2-CG 3.75Å; I33-R38 PolarHBondContact O-NE 3Å; I33-I43 HydrophobicContact CD1-CD1 4.24Å; I33-I43 HydrophobicContact CG1-CD1 4.3Å; I33-I43 HydrophobicContact CG2-CD1 4.12Å; I33-V63 HydrophobicContact CG1-CG2 4.24Å |
| 34 | R | 90.1 | Very high | 90 | Very high | 133 Ų | 133 | 80.8 Ų | 80.8 | 50% | 0.502 | 39% | 0.389 | S | S | . | . | trans | -55.6 | 139 | 176.6 | -74.2 | 177.2 | 75.1 | 157.3 | 2.6 | 110.2 | H32 K36 L37 R38 D62 V63 | H32-R34 PolarHBondContact O-N 3.46Å; R34-K36 PolarHBondContact O-N 2.84Å; R34-L37 HydrophobicContact CB-CD1 4.44Å; R34-L37 PolarHBondContact O-N 2.75Å; R34-R38 PolarHBondContact O-N 3.47Å; R34-D62 HydrophobicContact CG-CB 4.45Å; R34-V63 WeakPolarHBondContact CB-O 3.41Å; R34-V63 WeakPolarHBondContact CD-O 3.37Å; R34-V63 WeakPolarHBondContact CG-O 3.42Å | ||
| 35 | G | 88.9 | Confident | 90.1 | Very high | 50 Ų | 50 | 81.6 Ų | 81.6 | 52% | 0.515 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -54.9 | -31.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I33 L37 R38 | I33-G35 PolarHBondContact O-N 3Å; G35-L37 VanDerWaalsContact C-N 3.3Å; G35-L37 PolarHBondContact O-N 3.1Å; G35-R38 PolarHBondContact O-N 2.96Å |
| 36 | K | 88.1 | Confident | 90.2 | Very high | 165 Ų | 165 | 80.7 Ų | 80.7 | 72% | 0.717 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.8 | -36.1 | 175.6 | -171.7 | 176.8 | -180 | -179.1 | 0 | 112.8 | R34 | R34-K36 PolarHBondContact O-N 2.84Å |
| 37 | L | 86.1 | Confident | 90.4 | Very high | 19 Ų | 19 | 78.8 Ų | 78.8 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -79.6 | -36.4 | -179.4 | -86.1 | 72.7 | 0 | 0 | 0 | 111.6 | I33 R34 G35 K39 K40 V41 I43 V63 I64 | I33-L37 HydrophobicContact CG2-CB 3.96Å; R34-L37 HydrophobicContact CB-CD1 4.44Å; R34-L37 PolarHBondContact O-N 2.75Å; G35-L37 VanDerWaalsContact C-N 3.3Å; G35-L37 PolarHBondContact O-N 3.1Å; L37-K39 PolarHBondContact O-N 3.42Å; L37-K40 PolarHBondContact O-N 2.96Å; L37-V41 PolarHBondContact O-N 2.8Å; L37-I43 HydrophobicContact CD2-CD1 4.46Å; L37-V63 HydrophobicContact CD2-CG1 3.97Å; L37-I64 WeakPolarHBondContact CD1-O 3.16Å |
| 38 | R | 83.4 | Confident | 90.4 | Very high | 107 Ų | 107 | 76.8 Ų | 76.8 | 40% | 0.404 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54 | -26.7 | -177 | -70.6 | -176.6 | 174.3 | -128.7 | 11.4 | 114.9 | N16 G17 H32 I33 R34 G35 | N16-R38 VanDerWaalsContact C-NH2 3.34Å; N16-R38 PolarHBondContact O-NH2 2.99Å; G17-R38 PolarHBondContact O-NH2 2.78Å; H32-R38 PolarHBondContact NE2-NH2 3.5Å; I33-R38 HydrophobicContact CB-CG 4.17Å; I33-R38 HydrophobicContact CG2-CG 3.75Å; I33-R38 PolarHBondContact O-NE 3Å; R34-R38 PolarHBondContact O-N 3.47Å; G35-R38 PolarHBondContact O-N 2.96Å |
| 39 | K | 80.7 | Confident | 90.3 | Very high | 199 Ų | 199 | 71 Ų | 71 | 87% | 0.865 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -17.6 | 179.9 | -67.6 | -170.2 | 175 | -171.5 | 0 | 114.1 | L37 | L37-K39 PolarHBondContact O-N 3.42Š|
| 40 | K | 84.8 | Confident | 90.3 | Very high | 158 Ų | 158 | 71.4 Ų | 71.4 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | -26.3 | -168.2 | -68.1 | -164.2 | 172.7 | -150.9 | 0 | 113.8 | L37 | L37-K40 PolarHBondContact O-N 2.96Š|
| 41 | V | 87.4 | Confident | 90.2 | Very high | 50 Ų | 50 | 67.1 Ų | 67.1 | 30% | 0.303 | 32% | 0.317 | S | S | . | . | trans | -134.6 | 123.6 | -167.5 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | L37 I43 K66 | L37-V41 PolarHBondContact O-N 2.8Å; V41-I43 HydrophobicContact CG1-CG1 4.29Å; V41-K66 HydrophobicContact CG1-CB 3.72Å; V41-K66 HydrophobicContact CG1-CD 3.38Å; V41-K66 HydrophobicContact CG1-CG 4.18Å | ||
| 42 | W | 88.3 | Confident | 90.2 | Very high | 217 Ų | 217 | 67.6 Ų | 67.6 | 82% | 0.822 | 32% | 0.322 | S | S | * | . | trans | -87.1 | 127.1 | 170.3 | -70.7 | 76.9 | 0 | 0 | 0 | 109.2 | K66 | W42-K66 WeakPolarHBondContact O-CD 3.27Å; W42-K66 PolarHBondContact O-NZ 2.84Å | ||
| 43 | I | 90.5 | Very high | 90 | Very high | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | trans | -113.3 | 125 | 179.8 | -59.1 | 174.2 | 0 | 0 | 0 | 107.5 | V10 M13 L19 I33 L37 V41 I49 V63 | V10-I43 HydrophobicContact CG2-CG2 3.76Å; M13-I43 VanDerWaalsContact CE-O 3.27Å; M13-I43 WeakPolarHBondContact CE-O 3.47Å; L19-I43 HydrophobicContact CD2-CG2 3.87Å; I33-I43 HydrophobicContact CD1-CD1 4.24Å; I33-I43 HydrophobicContact CG1-CD1 4.3Å; I33-I43 HydrophobicContact CG2-CD1 4.12Å; L37-I43 HydrophobicContact CD2-CD1 4.46Å; V41-I43 HydrophobicContact CG1-CG1 4.29Å; I43-I49 HydrophobicContact CG2-CG2 4.3Å; I43-V63 HydrophobicContact CD1-CG1 3.99Å | ||
| 44 | N | 90.6 | Very high | 89.8 | Confident | 75 Ų | 75 | 68.2 Ų | 68.2 | 40% | 0.401 | 32% | 0.323 | S | S | . | . | trans | -113.7 | 172.7 | 179.2 | -69.7 | -50.4 | 0 | 0 | 0 | 111.3 | V10 D47 | V10-N44 WeakPolarHBondContact CB-O 3.43Å; V10-N44 WeakPolarHBondContact CG1-O 3.49Å; N44-D47 PolarHBondContact N-OD2 2.95Å; N44-D47 WeakPolarHBondContact O-CB 3.38Å; N44-D47 PolarHBondContact O-N 3.29Å | ||
| 45 | T | 91.9 | Very high | 89.6 | Confident | 68 Ų | 68 | 68.7 Ų | 68.7 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 143.9 | 171.8 | 49.8 | 0 | 0 | 0 | 0 | 111 | M13 D47 N88 | M13-T45 HydrophobicContact CG-CG2 4.43Å; T45-D47 PolarHBondContact O-N 2.84Å; T45-N88 PolarHBondContact O-ND2 2.87Å |
| 46 | S | 91.2 | Very high | 89.3 | Confident | 51 Ų | 51 | 74.2 Ų | 74.2 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | -0.2 | -176.3 | -54.1 | 0 | 0 | 0 | 0 | 116.4 | Q9 V10 | Q9-S46 PolarHBondContact NE2-O 3.46Å; V10-S46 WeakPolarHBondContact O-CA 3.44Å; V10-S46 PolarHBondContact O-N 2.71Å |
| 47 | D | 92.1 | Very high | 89.3 | Confident | 10 Ų | 10 | 70 Ų | 70 | 5% | 0.053 | 33% | 0.325 | C | S | . | . | trans | -66.3 | 148.9 | 172.5 | -70 | -2.7 | 0 | 0 | 0 | 111.7 | Q9 V10 N44 T45 K66 | Q9-D47 WeakPolarHBondContact CA-O 3.43Å; V10-D47 HydrophobicContact CG2-CB 4.35Å; V10-D47 PolarHBondContact N-O 3.21Å; N44-D47 PolarHBondContact N-OD2 2.95Å; N44-D47 WeakPolarHBondContact O-CB 3.38Å; N44-D47 PolarHBondContact O-N 3.29Å; T45-D47 PolarHBondContact O-N 2.84Å; D47-K66 WeakPolarHBondContact OD2-CE 3.21Å; D47-K66 IonicContact OD2-NZ 3.67Å | ||
| 48 | I | 92.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.6 | 173.6 | -54.6 | -55 | 0 | 0 | 0 | 109.1 | Q9 F24 Y67 A72 L81 | Q9-I48 HydrophobicContact CB-CD1 3.97Å; Q9-I48 HydrophobicContact CG-CD1 4.12Å; F24-I48 HydrophobicContact CE2-CD1 4.36Å; F24-I48 HydrophobicContact CZ-CD1 4.06Å; I48-Y67 HydrophobicContact CG2-CD2 4.09Å; I48-Y67 PolarHBondContact O-N 2.87Å; I48-A72 HydrophobicContact CB-CB 4.21Å; I48-A72 HydrophobicContact CG1-CB 3.87Å; I48-L81 HydrophobicContact CG2-CD1 4.27Å |
| 49 | I | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 153.3 | -175.8 | 59.7 | 167.1 | 0 | 0 | 0 | 111.2 | A8 V10 L19 A21 I43 V51 V63 L65 K66 | A8-I49 HydrophobicContact CB-CG1 4.09Å; A8-I49 PolarHBondContact N-O 3.21Å; A8-I49 WeakPolarHBondContact O-CG1 3.3Å; A8-I49 PolarHBondContact O-N 3.31Å; V10-I49 HydrophobicContact CG2-CD1 3.92Å; V10-I49 HydrophobicContact CG2-CG1 4.21Å; V10-I49 HydrophobicContact CG2-CG2 4.03Å; L19-I49 HydrophobicContact CD1-CD1 4Å; A21-I49 HydrophobicContact CB-CD1 4.09Å; I43-I49 HydrophobicContact CG2-CG2 4.3Å; I49-V51 HydrophobicContact CD1-CG1 3.7Å; I49-V51 HydrophobicContact CG1-CG1 4.1Å; I49-V63 HydrophobicContact CB-CG1 4.25Å; I49-V63 HydrophobicContact CD1-CG1 4.24Å; I49-V63 HydrophobicContact CD1-CG2 4.02Å; I49-V63 HydrophobicContact CG2-CG1 4.44Å; I49-L65 CarbonylContact C-O 3.57Å; I49-L65 WeakPolarHBondContact CA-O 3.44Å; I49-K66 HydrophobicContact CG2-CB 4.43Å |
| 50 | L | 94.1 | Very high | 90.4 | Very high | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 122.9 | 167.2 | -170.5 | 64.6 | 0 | 0 | 0 | 109 | M1 K5 Y7 I64 L65 Y67 | M1-L50 HydrophobicContact CE-CD1 3.98Å; K5-L50 HydrophobicContact CB-CD1 4.13Å; K5-L50 HydrophobicContact CD-CD2 3.95Å; K5-L50 HydrophobicContact CD-CG 4.38Å; Y7-L50 HydrophobicContact CD1-CD1 3.91Å; Y7-L50 HydrophobicContact CE1-CD1 3.91Å; L50-I64 HydrophobicContact CB-CB 4.48Å; L50-I64 HydrophobicContact CD2-CB 4.41Å; L50-I64 HydrophobicContact CD2-CG2 4.3Å; L50-I64 HydrophobicContact CG-CB 4.43Å; L50-I64 PolarHBondContact O-N 3.33Å; L50-L65 HydrophobicContact CB-CB 4.08Å; L50-L65 PolarHBondContact N-O 3.34Å; L50-L65 PolarHBondContact O-N 3.27Å; L50-Y67 HydrophobicContact CB-CE2 3.87Å |
| 51 | V | 94.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 144.3 | 176 | -61.5 | 0 | 0 | 0 | 0 | 111 | K5 E6 A8 I49 A61 D62 | K5-V51 CarbonylContact C-O 3.6Å; K5-V51 WeakPolarHBondContact CA-O 3.43Å; E6-V51 HydrophobicContact CB-CG2 4.1Å; E6-V51 PolarHBondContact N-O 3.29Å; E6-V51 WeakPolarHBondContact O-CG2 3.36Å; E6-V51 PolarHBondContact O-N 2.93Å; A8-V51 HydrophobicContact CB-CG1 4.06Å; A8-V51 HydrophobicContact CB-CG2 4.17Å; I49-V51 HydrophobicContact CD1-CG1 3.7Å; I49-V51 HydrophobicContact CG1-CG1 4.1Å; V51-A61 HydrophobicContact CB-CB 3.9Å; V51-A61 HydrophobicContact CG2-CB 4.22Å; V51-D62 CarbonylContact C-O 3.55Å; V51-D62 WeakPolarHBondContact CA-O 3.44Å |
| 52 | G | 94.4 | Very high | 91.2 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | N4 A61 D62 | N4-G52 WeakPolarHBondContact O-CA 3.36Å; G52-A61 CarbonylContact O-C 3.58Å; G52-A61 VanDerWaalsContact O-CA 3.29Å; G52-A61 WeakPolarHBondContact O-CA 3.19Å; G52-A61 WeakPolarHBondContact O-CB 3.2Å; G52-D62 PolarHBondContact N-O 3.23Å; G52-D62 PolarHBondContact O-N 2.76Å |
| 53 | L | 92.4 | Very high | 91.5 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 160.5 | 176.5 | -58.8 | 179.2 | 0 | 0 | 0 | 110.4 | N4 E6 A61 | N4-L53 PolarHBondContact ND2-O 3.38Å; N4-L53 VanDerWaalsContact ND2-O 3.17Å; N4-L53 PolarHBondContact O-N 2.77Å; N4-L53 WeakPolarHBondContact OD1-CB 3.5Å; E6-L53 HydrophobicContact CB-CD1 4.22Å; E6-L53 HydrophobicContact CB-CD2 4.28Å; E6-L53 HydrophobicContact CB-CG 4.28Å; L53-A61 HydrophobicContact CD2-CB 4.48Å |
| 54 | R | 89.6 | Confident | 91.6 | Very high | 60 Ų | 60 | 51 Ų | 51 | 23% | 0.226 | 26% | 0.258 | C | S | . | . | trans | -117.8 | 127.6 | 176.9 | -64.9 | 177.9 | 178.1 | -169.7 | 4 | 109.1 | Y56 Q57 D62 | R54-Y56 HydrophobicContact CB-CD1 4.4Å; R54-Y56 HydrophobicContact CB-CE1 4.1Å; R54-Y56 PolarHBondContact O-N 2.83Å; R54-Q57 PolarHBondContact O-N 2.98Å; R54-D62 IonicContact CZ-OD2 3.24Å; R54-D62 VanDerWaalsContact CZ-OD2 3.24Å; R54-D62 IonicContact NE-OD2 2.81Å; R54-D62 PolarHBondContact NE-OD2 2.87Å; R54-D62 VanDerWaalsContact NH2-CG 3.29Å; R54-D62 IonicContact NH2-OD1 2.76Å; R54-D62 PolarHBondContact NH2-OD1 2.99Å; R54-D62 IonicContact NH2-OD2 3.6Å; R54-D62 PolarHBondContact NH2-OD2 2.87Å | ||
| 55 | D | 85.4 | Confident | 91.7 | Very high | 143 Ų | 143 | 51.2 Ų | 51.2 | 77% | 0.765 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.8 | -175.4 | -51.1 | -23.6 | 0 | 0 | 0 | 113.7 | N4 | N4-D55 PolarHBondContact ND2-OD1 2.94Å; N4-D55 PolarHBondContact OD1-OD1 3.05Å |
| 56 | Y | 83.4 | Confident | 91.7 | Very high | 166 Ų | 166 | 48.9 Ų | 48.9 | 65% | 0.651 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -12.4 | -173 | 61.3 | -89.1 | 0 | 0 | 0 | 114.3 | R54 | R54-Y56 HydrophobicContact CB-CD1 4.4Å; R54-Y56 HydrophobicContact CB-CE1 4.1Å; R54-Y56 PolarHBondContact O-N 2.83Å |
| 57 | Q | 87.6 | Confident | 91.7 | Very high | 75 Ų | 75 | 48 Ų | 48 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | trans | -147.5 | 82.7 | -175.9 | -88 | 176.8 | 27.7 | 0 | 0 | 109.9 | R54 N59 K60 | R54-Q57 PolarHBondContact O-N 2.98Å; Q57-N59 PolarHBondContact O-N 2.9Å; Q57-K60 PolarHBondContact O-N 3.36Å; Q57-K60 VanDerWaalsContact O-O 3.04Å | ||
| 58 | D | 88.6 | Confident | 91.6 | Very high | 79 Ų | 79 | 50.5 Ų | 50.5 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.4 | -178.3 | -169.2 | 36 | 0 | 0 | 0 | 113.2 | R29 K60 | R29-D58 WeakPolarHBondContact CD-O 3.4Å; R29-D58 WeakPolarHBondContact CG-O 3.47Å; R29-D58 IonicContact CZ-OD1 3.29Å; R29-D58 VanDerWaalsContact CZ-OD1 3.29Å; R29-D58 PolarHBondContact NE-O 2.96Å; R29-D58 IonicContact NE-OD1 3.05Å; R29-D58 PolarHBondContact NE-OD1 2.73Å; R29-D58 VanDerWaalsContact NH2-CG 3.34Å; R29-D58 IonicContact NH2-OD1 2.74Å; R29-D58 PolarHBondContact NH2-OD1 3.03Å; R29-D58 IonicContact NH2-OD2 3.22Å; R29-D58 PolarHBondContact NH2-OD2 3.06Å; D58-K60 PolarHBondContact O-N 3.17Å |
| 59 | N | 91.6 | Very high | 91.3 | Very high | 117 Ų | 117 | 50.9 Ų | 50.9 | 63% | 0.626 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -7.9 | 175.5 | -66.4 | -46.2 | 0 | 0 | 0 | 114.2 | L30 Q57 | L30-N59 PolarHBondContact N-O 3.44Å; Q57-N59 PolarHBondContact O-N 2.9Å |
| 60 | K | 93.5 | Very high | 91 | Very high | 87 Ų | 87 | 55.8 Ų | 55.8 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.5 | -178.1 | -63.3 | -172 | -167 | 154.9 | 0 | 111.5 | L30 Q57 D58 | L30-K60 WeakPolarHBondContact O-CA 3.02Å; Q57-K60 PolarHBondContact O-N 3.36Å; Q57-K60 VanDerWaalsContact O-O 3.04Å; D58-K60 PolarHBondContact O-N 3.17Å |
| 61 | A | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 167.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | R29 L30 C31 H32 V51 G52 L53 | R29-A61 HydrophobicContact CB-CB 4.44Å; L30-A61 PolarHBondContact O-N 2.72Å; C31-A61 CarbonylContact C-O 3.56Å; C31-A61 VanDerWaalsContact CA-O 3.25Å; C31-A61 WeakPolarHBondContact CA-O 3.36Å; H32-A61 PolarHBondContact N-O 2.8Å; V51-A61 HydrophobicContact CB-CB 3.9Å; V51-A61 HydrophobicContact CG2-CB 4.22Å; G52-A61 CarbonylContact O-C 3.58Å; G52-A61 VanDerWaalsContact O-CA 3.29Å; G52-A61 WeakPolarHBondContact O-CA 3.19Å; G52-A61 WeakPolarHBondContact O-CB 3.2Å; L53-A61 HydrophobicContact CD2-CB 4.48Å |
| 62 | D | 94.2 | Very high | 90.5 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.2 | 175.2 | -67.7 | -80.5 | 0 | 0 | 0 | 110.1 | H32 R34 V51 G52 R54 I64 | H32-D62 IonicContact ND1-OD1 3.81Å; H32-D62 WeakPolarHBondContact O-CA 3.4Å; R34-D62 HydrophobicContact CG-CB 4.45Å; V51-D62 CarbonylContact C-O 3.55Å; V51-D62 WeakPolarHBondContact CA-O 3.44Å; G52-D62 PolarHBondContact N-O 3.23Å; G52-D62 PolarHBondContact O-N 2.76Å; R54-D62 IonicContact CZ-OD2 3.24Å; R54-D62 VanDerWaalsContact CZ-OD2 3.24Å; R54-D62 IonicContact NE-OD2 2.81Å; R54-D62 PolarHBondContact NE-OD2 2.87Å; R54-D62 VanDerWaalsContact NH2-CG 3.29Å; R54-D62 IonicContact NH2-OD1 2.76Å; R54-D62 PolarHBondContact NH2-OD1 2.99Å; R54-D62 IonicContact NH2-OD2 3.6Å; R54-D62 PolarHBondContact NH2-OD2 2.87Å; D62-I64 PolarHBondContact O-N 2.81Å |
| 63 | V | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124 | 179.4 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | L19 C31 H32 I33 R34 L37 I43 I49 | L19-V63 HydrophobicContact CD2-CG2 4.23Å; C31-V63 HydrophobicContact CB-CG2 3.78Å; H32-V63 PolarHBondContact O-N 2.99Å; I33-V63 HydrophobicContact CG1-CG2 4.24Å; R34-V63 WeakPolarHBondContact CB-O 3.41Å; R34-V63 WeakPolarHBondContact CD-O 3.37Å; R34-V63 WeakPolarHBondContact CG-O 3.42Å; L37-V63 HydrophobicContact CD2-CG1 3.97Å; I43-V63 HydrophobicContact CD1-CG1 3.99Å; I49-V63 HydrophobicContact CB-CG1 4.25Å; I49-V63 HydrophobicContact CD1-CG1 4.24Å; I49-V63 HydrophobicContact CD1-CG2 4.02Å; I49-V63 HydrophobicContact CG2-CG1 4.44Å |
| 64 | I | 93.1 | Very high | 90 | Very high | 40 Ų | 40 | 65.4 Ų | 65.4 | 21% | 0.205 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -45.4 | -178.3 | -60 | 176 | 0 | 0 | 0 | 111.1 | K5 L37 L50 D62 | K5-I64 HydrophobicContact CD-CD1 3.75Å; K5-I64 HydrophobicContact CG-CD1 3.86Å; L37-I64 WeakPolarHBondContact CD1-O 3.16Å; L50-I64 HydrophobicContact CB-CB 4.48Å; L50-I64 HydrophobicContact CD2-CB 4.41Å; L50-I64 HydrophobicContact CD2-CG2 4.3Å; L50-I64 HydrophobicContact CG-CB 4.43Å; L50-I64 PolarHBondContact O-N 3.33Å; D62-I64 PolarHBondContact O-N 2.81Å |
| 65 | L | 91.9 | Very high | 89.9 | Confident | 80 Ų | 80 | 63.4 Ų | 63.4 | 42% | 0.419 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 150.5 | -173.6 | -174.9 | 64.7 | 0 | 0 | 0 | 109.8 | I49 L50 Y67 | I49-L65 CarbonylContact C-O 3.57Å; I49-L65 WeakPolarHBondContact CA-O 3.44Å; L50-L65 HydrophobicContact CB-CB 4.08Å; L50-L65 PolarHBondContact N-O 3.34Å; L50-L65 PolarHBondContact O-N 3.27Å; L65-Y67 HydrophobicContact CD2-CE1 4.09Å |
| 66 | K | 91.9 | Very high | 89.9 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 136.3 | 165.5 | 176.3 | -162.5 | 170.9 | -174.3 | 0 | 107.6 | V41 W42 D47 I49 D91 | V41-K66 HydrophobicContact CG1-CB 3.72Å; V41-K66 HydrophobicContact CG1-CD 3.38Å; V41-K66 HydrophobicContact CG1-CG 4.18Å; W42-K66 WeakPolarHBondContact O-CD 3.27Å; W42-K66 PolarHBondContact O-NZ 2.84Å; D47-K66 WeakPolarHBondContact OD2-CE 3.21Å; D47-K66 IonicContact OD2-NZ 3.67Å; I49-K66 HydrophobicContact CG2-CB 4.43Å; K66-D91 WeakPolarHBondContact CE-OD2 3.36Å; K66-D91 IonicContact NZ-OD1 2.62Å; K66-D91 PolarHBondContact NZ-OD1 2.87Å; K66-D91 IonicContact NZ-OD2 3.01Å; K66-D91 PolarHBondContact NZ-OD2 2.95Å |
| 67 | Y | 91.1 | Very high | 90 | Very high | 34 Ų | 34 | 57 Ų | 57 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 140 | 170.4 | -68.4 | -78.3 | 0 | 0 | 0 | 110.2 | Y7 I48 L50 L65 E71 L75 | Y7-Y67 AromaticContact CD1-CE2 3.8Å; Y7-Y67 HydrophobicContact CD1-CE2 3.8Å; Y7-Y67 AromaticContact CE1-CE2 3.66Å; Y7-Y67 HydrophobicContact CE1-CE2 3.66Å; Y7-Y67 AromaticContact CE1-CZ 3.78Å; Y7-Y67 WeakPolarHBondContact CE1-OH 2.84Å; I48-Y67 HydrophobicContact CG2-CD2 4.09Å; I48-Y67 PolarHBondContact O-N 2.87Å; L50-Y67 HydrophobicContact CB-CE2 3.87Å; L65-Y67 HydrophobicContact CD2-CE1 4.09Å; Y67-E71 WeakPolarHBondContact CA-OE2 3.42Å; Y67-E71 HydrophobicContact CD1-CB 3.95Å; Y67-L75 HydrophobicContact CD1-CD1 3.88Å; Y67-L75 HydrophobicContact CD2-CD1 4.02Å; Y67-L75 HydrophobicContact CE1-CD1 3.95Å; Y67-L75 HydrophobicContact CE2-CD1 4.08Å; Y67-L75 HydrophobicContact CG-CD1 3.91Å |
| 68 | N | 89.6 | Confident | 90 | Very high | 62 Ų | 62 | 62.2 Ų | 62.2 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | trans | -73 | 166.3 | 169.7 | -72.8 | -1.3 | 0 | 0 | 0 | 110.8 | D70 E71 A72 | N68-D70 VanDerWaalsContact C-N 3.27Å; N68-D70 PolarHBondContact O-N 3.06Å; N68-E71 HydrophobicContact CB-CG 4.4Å; N68-E71 PolarHBondContact N-OE2 3.07Å; N68-E71 PolarHBondContact O-N 3.49Å; N68-A72 WeakPolarHBondContact O-CB 3.49Å; N68-A72 PolarHBondContact O-N 3.25Å | ||
| 69 | A | 87.1 | Confident | 89.7 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.7 | -42.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A72 R73 I87 N88 | A69-A72 PolarHBondContact O-N 3.28Å; A69-R73 WeakPolarHBondContact O-CG 3.41Å; A69-R73 PolarHBondContact O-N 3.38Å; A69-I87 HydrophobicContact CB-CG2 4.06Å; A69-N88 WeakPolarHBondContact CB-O 3.44Å |
| 70 | D | 87.3 | Confident | 89.4 | Confident | 103 Ų | 103 | 60.5 Ų | 60.5 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.7 | -46 | 179.1 | -62.9 | -30.8 | 0 | 0 | 0 | 112 | N68 A72 R73 S74 | N68-D70 VanDerWaalsContact C-N 3.27Å; N68-D70 PolarHBondContact O-N 3.06Å; D70-A72 VanDerWaalsContact C-N 3.29Å; D70-A72 PolarHBondContact O-N 3.36Å; D70-R73 WeakPolarHBondContact O-CB 3.19Å; D70-R73 PolarHBondContact O-N 3.44Å; D70-R73 VanDerWaalsContact O-N 3.09Å; D70-R73 IonicContact OD1-CZ 2.83Å; D70-R73 IonicContact OD1-NH1 3.88Å; D70-R73 PolarHBondContact OD1-NH1 3.48Å; D70-R73 IonicContact OD1-NH2 2.98Å; D70-S74 PolarHBondContact O-N 3.42Å; D70-S74 PolarHBondContact O-OG 2.83Å |
| 71 | E | 89.6 | Confident | 88.8 | Confident | 91 Ų | 91 | 56.6 Ų | 56.6 | 43% | 0.425 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 176.9 | -61.7 | 178.6 | 130.8 | 0 | 0 | 111.3 | Y67 N68 R73 S74 L75 | Y67-E71 WeakPolarHBondContact CA-OE2 3.42Å; Y67-E71 HydrophobicContact CD1-CB 3.95Å; N68-E71 HydrophobicContact CB-CG 4.4Å; N68-E71 PolarHBondContact N-OE2 3.07Å; N68-E71 PolarHBondContact O-N 3.49Å; E71-R73 VanDerWaalsContact C-N 3.33Å; E71-R73 PolarHBondContact O-N 2.91Å; E71-S74 WeakPolarHBondContact O-CB 3.17Å; E71-S74 PolarHBondContact O-N 3.43Å; E71-L75 WeakPolarHBondContact O-CG 3.37Å; E71-L75 PolarHBondContact O-N 3.28Å |
| 72 | A | 88.3 | Confident | 88 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I48 N68 A69 D70 L75 K76 I87 | I48-A72 HydrophobicContact CB-CB 4.21Å; I48-A72 HydrophobicContact CG1-CB 3.87Å; N68-A72 WeakPolarHBondContact O-CB 3.49Å; N68-A72 PolarHBondContact O-N 3.25Å; A69-A72 PolarHBondContact O-N 3.28Å; D70-A72 VanDerWaalsContact C-N 3.29Å; D70-A72 PolarHBondContact O-N 3.36Å; A72-L75 PolarHBondContact O-N 3.4Å; A72-K76 PolarHBondContact O-N 3.01Å; A72-I87 HydrophobicContact CB-CD1 3.88Å; A72-I87 HydrophobicContact CB-CG1 4.02Å; A72-I87 HydrophobicContact CB-CG2 3.89Å |
| 73 | R | 86.6 | Confident | 87 | Confident | 106 Ų | 106 | 65.1 Ų | 65.1 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 173.2 | -69.5 | -172.3 | -149.9 | 115.6 | 2.9 | 111.2 | A69 D70 E71 K76 A77 I87 E89 | A69-R73 WeakPolarHBondContact O-CG 3.41Å; A69-R73 PolarHBondContact O-N 3.38Å; D70-R73 WeakPolarHBondContact O-CB 3.19Å; D70-R73 PolarHBondContact O-N 3.44Å; D70-R73 VanDerWaalsContact O-N 3.09Å; D70-R73 IonicContact OD1-CZ 2.83Å; D70-R73 IonicContact OD1-NH1 3.88Å; D70-R73 PolarHBondContact OD1-NH1 3.48Å; D70-R73 IonicContact OD1-NH2 2.98Å; E71-R73 VanDerWaalsContact C-N 3.33Å; E71-R73 PolarHBondContact O-N 2.91Å; R73-K76 WeakPolarHBondContact O-CB 3.45Å; R73-K76 PolarHBondContact O-N 2.62Å; R73-A77 PolarHBondContact O-N 3.06Å; R73-I87 HydrophobicContact CB-CD1 4.39Å; R73-I87 HydrophobicContact CG-CD1 3.79Å; R73-E89 IonicContact CZ-OE1 3.57Å; R73-E89 IonicContact NE-OE1 2.63Å; R73-E89 IonicContact NH2-OE1 3.93Å; R73-E89 PolarHBondContact NH2-OE1 2.94Å |
| 74 | S | 88.9 | Confident | 86 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 42% | 0.42 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 173.4 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | D70 E71 K76 A77 Y78 | D70-S74 PolarHBondContact O-N 3.42Å; D70-S74 PolarHBondContact O-OG 2.83Å; E71-S74 WeakPolarHBondContact O-CB 3.17Å; E71-S74 PolarHBondContact O-N 3.43Å; S74-K76 VanDerWaalsContact C-N 3.27Å; S74-K76 PolarHBondContact O-N 3.3Å; S74-A77 CarbonylContact O-C 3.58Å; S74-A77 WeakPolarHBondContact O-CA 3.49Å; S74-A77 WeakPolarHBondContact O-CB 2.99Å; S74-A77 PolarHBondContact O-N 2.81Å; S74-Y78 WeakPolarHBondContact O-CD2 3.46Å; S74-Y78 PolarHBondContact O-N 3.22Å |
| 75 | L | 87.6 | Confident | 85.2 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59 | -38.3 | 176.2 | -72.8 | 171.4 | 0 | 0 | 0 | 112.5 | Y7 Y67 E71 A72 Y78 G79 E80 L81 | Y7-L75 HydrophobicContact CD1-CD1 4.44Å; Y7-L75 HydrophobicContact CE1-CD1 4.05Å; Y7-L75 HydrophobicContact CE1-CD2 4.21Å; Y67-L75 HydrophobicContact CD1-CD1 3.88Å; Y67-L75 HydrophobicContact CD2-CD1 4.02Å; Y67-L75 HydrophobicContact CE1-CD1 3.95Å; Y67-L75 HydrophobicContact CE2-CD1 4.08Å; Y67-L75 HydrophobicContact CG-CD1 3.91Å; E71-L75 WeakPolarHBondContact O-CG 3.37Å; E71-L75 PolarHBondContact O-N 3.28Å; A72-L75 PolarHBondContact O-N 3.4Å; L75-Y78 PolarHBondContact O-N 2.76Å; L75-G79 PolarHBondContact O-N 3.01Å; L75-E80 HydrophobicContact CD2-CB 4.22Å; L75-E80 HydrophobicContact CD2-CG 4.41Å; L75-E80 PolarHBondContact O-N 2.63Å; L75-E80 VanDerWaalsContact O-N 3.07Å; L75-L81 HydrophobicContact CB-CD1 3.67Å; L75-L81 HydrophobicContact CB-CG 3.87Å; L75-L81 HydrophobicContact CD1-CD1 4.32Å |
| 76 | K | 86.7 | Confident | 84.5 | Confident | 84 Ų | 84 | 75 Ų | 75 | 37% | 0.365 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 172.4 | -169.5 | -178.8 | -172.4 | 173 | 0 | 111.8 | A72 R73 S74 Y78 G79 L81 E83 | A72-K76 PolarHBondContact O-N 3.01Å; R73-K76 WeakPolarHBondContact O-CB 3.45Å; R73-K76 PolarHBondContact O-N 2.62Å; S74-K76 VanDerWaalsContact C-N 3.27Å; S74-K76 PolarHBondContact O-N 3.3Å; K76-Y78 VanDerWaalsContact C-N 3.28Å; K76-Y78 PolarHBondContact O-N 3.37Å; K76-G79 PolarHBondContact O-N 3.02Å; K76-L81 HydrophobicContact CB-CB 4.5Å; K76-E83 WeakPolarHBondContact CE-O 3.33Å; K76-E83 PolarHBondContact NZ-O 2.91Å |
| 77 | A | 85.6 | Confident | 84 | Confident | 90 Ų | 90 | 76 Ų | 76 | 74% | 0.744 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.2 | -31.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R73 S74 G79 | R73-A77 PolarHBondContact O-N 3.06Å; S74-A77 CarbonylContact O-C 3.58Å; S74-A77 WeakPolarHBondContact O-CA 3.49Å; S74-A77 WeakPolarHBondContact O-CB 2.99Å; S74-A77 PolarHBondContact O-N 2.81Å; A77-G79 PolarHBondContact O-N 2.9Å |
| 78 | Y | 86.4 | Confident | 83.4 | Confident | 184 Ų | 184 | 76.8 Ų | 76.8 | 72% | 0.722 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -8.5 | 173 | -69.4 | -61.4 | 0 | 0 | 0 | 113.9 | S74 L75 K76 E80 | S74-Y78 WeakPolarHBondContact O-CD2 3.46Å; S74-Y78 PolarHBondContact O-N 3.22Å; L75-Y78 PolarHBondContact O-N 2.76Å; K76-Y78 VanDerWaalsContact C-N 3.28Å; K76-Y78 PolarHBondContact O-N 3.37Å; Y78-E80 VanDerWaalsContact C-N 3.27Å; Y78-E80 PolarHBondContact O-N 3.39Å |
| 79 | G | 84 | Confident | 82.2 | Confident | 62 Ų | 62 | 79.6 Ų | 79.6 | 64% | 0.639 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 12.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L75 K76 A77 L81 | L75-G79 PolarHBondContact O-N 3.01Å; K76-G79 PolarHBondContact O-N 3.02Å; A77-G79 PolarHBondContact O-N 2.9Å; G79-L81 VanDerWaalsContact C-N 3.33Å |
| 80 | E | 83.6 | Confident | 80.9 | Confident | 98 Ų | 98 | 83.8 Ų | 83.8 | 46% | 0.458 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -78.5 | -23 | 176.6 | -65.8 | -73.7 | 175 | 0 | 0 | 111.7 | Y7 L75 Y78 | Y7-E80 HydrophobicContact CE2-CB 3.95Å; Y7-E80 HydrophobicContact CE2-CG 4.49Å; L75-E80 HydrophobicContact CD2-CB 4.22Å; L75-E80 HydrophobicContact CD2-CG 4.41Å; L75-E80 PolarHBondContact O-N 2.63Å; L75-E80 VanDerWaalsContact O-N 3.07Å; Y78-E80 VanDerWaalsContact C-N 3.27Å; Y78-E80 PolarHBondContact O-N 3.39Å |
| 81 | L | 81.8 | Confident | 79.4 | Confident | 6 Ų | 6 | 81.1 Ų | 81.1 | 3% | 0.031 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -114.1 | 139.6 | 174.9 | -61.3 | 177.6 | 0 | 0 | 0 | 110 | Y7 F24 I48 L75 K76 G79 A85 | Y7-L81 HydrophobicContact CD2-CD2 4.47Å; Y7-L81 HydrophobicContact CG-CD2 4.24Å; F24-L81 HydrophobicContact CD2-CD2 3.66Å; F24-L81 HydrophobicContact CE1-CD2 4.32Å; F24-L81 HydrophobicContact CE2-CD2 3.38Å; F24-L81 HydrophobicContact CG-CD2 4.25Å; F24-L81 HydrophobicContact CZ-CD2 3.74Å; I48-L81 HydrophobicContact CG2-CD1 4.27Å; L75-L81 HydrophobicContact CB-CD1 3.67Å; L75-L81 HydrophobicContact CB-CG 3.87Å; L75-L81 HydrophobicContact CD1-CD1 4.32Å; K76-L81 HydrophobicContact CB-CB 4.5Å; G79-L81 VanDerWaalsContact C-N 3.33Å; L81-A85 HydrophobicContact CB-CB 4.37Å |
| 82 | P | 79.1 | Confident | 77.4 | Confident | 42 Ų | 42 | 82.1 Ų | 82.1 | 27% | 0.273 | 43% | 0.432 | S | S | . | . | trans | -66.7 | 151.1 | 176.5 | 28.5 | -34.1 | 0 | 0 | 0 | 111.3 | F24 H84 A85 | F24-P82 HydrophobicContact CD1-CG 3.5Å; F24-P82 VanDerWaalsContact CD1-CG 3.5Å; F24-P82 HydrophobicContact CE1-CG 3.79Å; P82-H84 WeakPolarHBondContact CB-CE1 2.96Å; P82-H84 VanDerWaalsContact CG-CE1 3.47Å; P82-H84 WeakPolarHBondContact CG-CE1 3.4Å; P82-H84 PolarHBondContact O-N 3.26Å; P82-A85 VanDerWaalsContact O-CB 3.3Å; P82-A85 WeakPolarHBondContact O-CB 3.47Å; P82-A85 PolarHBondContact O-N 3.32Å | ||
| 83 | E | 73 | Confident | 75.4 | Confident | 175 Ų | 175 | 90.5 Ų | 90.5 | 82% | 0.818 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.7 | -173.6 | -75.8 | -166.2 | 141.7 | 0 | 0 | 114.4 | K76 A85 | K76-E83 WeakPolarHBondContact CE-O 3.33Å; K76-E83 PolarHBondContact NZ-O 2.91Å; E83-A85 VanDerWaalsContact C-N 3.3Å; E83-A85 PolarHBondContact O-N 2.98Å |
| 84 | H | 71.8 | Confident | 73.7 | Confident | 150 Ų | 150 | 87.6 Ų | 87.6 | 69% | 0.694 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.4 | -179.7 | 67 | -95.9 | 0 | 0 | 0 | 114 | P82 K86 | P82-H84 WeakPolarHBondContact CB-CE1 2.96Å; P82-H84 VanDerWaalsContact CG-CE1 3.47Å; P82-H84 WeakPolarHBondContact CG-CE1 3.4Å; P82-H84 PolarHBondContact O-N 3.26Å; H84-K86 PolarHBondContact O-N 2.87Å; H84-K86 VanDerWaalsContact O-N 3.1Å |
| 85 | A | 76.8 | Confident | 71.9 | Confident | 7 Ų | 7 | 90.4 Ų | 90.4 | 6% | 0.058 | 49% | 0.488 | C | S | . | . | trans | -61.5 | 114.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | F24 L81 P82 E83 I87 | F24-A85 HydrophobicContact CE1-CB 3.98Å; F24-A85 HydrophobicContact CZ-CB 4.14Å; L81-A85 HydrophobicContact CB-CB 4.37Å; P82-A85 VanDerWaalsContact O-CB 3.3Å; P82-A85 WeakPolarHBondContact O-CB 3.47Å; P82-A85 PolarHBondContact O-N 3.32Å; E83-A85 VanDerWaalsContact C-N 3.3Å; E83-A85 PolarHBondContact O-N 2.98Å; A85-I87 PolarHBondContact O-N 3.09Å | ||
| 86 | K | 77.8 | Confident | 69.9 | Low | 170 Ų | 170 | 92.5 Ų | 92.5 | 74% | 0.739 | 51% | 0.514 | S | S | * | . | trans | -83.8 | 106.5 | 176.7 | -67.8 | -174.8 | -179.5 | -176.5 | 0 | 108.9 | Q9 H84 | Q9-K86 PolarHBondContact NE2-O 2.89Å; H84-K86 PolarHBondContact O-N 2.87Å; H84-K86 VanDerWaalsContact O-N 3.1Å | ||
| 87 | I | 81.6 | Confident | 67.9 | Low | 42 Ų | 42 | 96 Ų | 96 | 22% | 0.215 | 54% | 0.536 | C | S | . | . | trans | -84.4 | 130.2 | 179.3 | -58.1 | 167.7 | 0 | 0 | 0 | 108.2 | A69 A72 R73 A85 | A69-I87 HydrophobicContact CB-CG2 4.06Å; A72-I87 HydrophobicContact CB-CD1 3.88Å; A72-I87 HydrophobicContact CB-CG1 4.02Å; A72-I87 HydrophobicContact CB-CG2 3.89Å; R73-I87 HydrophobicContact CB-CD1 4.39Å; R73-I87 HydrophobicContact CG-CD1 3.79Å; A85-I87 PolarHBondContact O-N 3.09Å | ||
| 88 | N | 77.4 | Confident | 66.3 | Low | 50 Ų | 50 | 99 Ų | 99 | 27% | 0.267 | 54% | 0.54 | S | S | . | . | trans | -83.5 | 130.5 | 174.3 | -168.1 | -9.2 | 0 | 0 | 0 | 109.4 | T45 A69 T90 | T45-N88 PolarHBondContact O-ND2 2.87Å; A69-N88 WeakPolarHBondContact CB-O 3.44Å; N88-T90 WeakPolarHBondContact OD1-CB 3.37Å; N88-T90 PolarHBondContact OD1-N 3.02Å; N88-T90 PolarHBondContact OD1-OG1 3.48Å | ||
| 89 | E | 65.6 | Low | 64.6 | Low | 120 Ų | 120 | 97.8 Ų | 97.8 | 56% | 0.561 | 55% | 0.546 | S | S | * | . | trans | -95 | 11.2 | -178 | -60.6 | -164.8 | 144.2 | 0 | 0 | 113.4 | R73 D91 T92 | R73-E89 IonicContact CZ-OE1 3.57Å; R73-E89 IonicContact NE-OE1 2.63Å; R73-E89 IonicContact NH2-OE1 3.93Å; R73-E89 PolarHBondContact NH2-OE1 2.94Å; E89-D91 VanDerWaalsContact C-N 3.28Å; E89-D91 PolarHBondContact O-N 3.23Å; E89-T92 PolarHBondContact O-OG1 3.39Å | ||
| 90 | T | 59.4 | Low | 63.3 | Low | 100 Ų | 100 | 102.5 Ų | 102.5 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | trans | -70.7 | -15.3 | -173 | -61.6 | 0 | 0 | 0 | 0 | 114.2 | N88 T92 | N88-T90 WeakPolarHBondContact OD1-CB 3.37Å; N88-T90 PolarHBondContact OD1-N 3.02Å; N88-T90 PolarHBondContact OD1-OG1 3.48Å; T90-T92 PolarHBondContact O-N 2.98Å | ||
| 91 | D | 54.9 | Low | 62.2 | Low | 48 Ų | 48 | 104.9 Ų | 104.9 | 26% | 0.257 | 57% | 0.566 | S | S | . | * | trans | -82.2 | 50.3 | 174.7 | -79.7 | -48.8 | 0 | 0 | 0 | 112.4 | K66 E89 F93 | K66-D91 WeakPolarHBondContact CE-OD2 3.36Å; K66-D91 IonicContact NZ-OD1 2.62Å; K66-D91 PolarHBondContact NZ-OD1 2.87Å; K66-D91 IonicContact NZ-OD2 3.01Å; K66-D91 PolarHBondContact NZ-OD2 2.95Å; E89-D91 VanDerWaalsContact C-N 3.28Å; E89-D91 PolarHBondContact O-N 3.23Å; D91-F93 PolarHBondContact O-N 2.79Å | ||
| 92 | T | 47.9 | Very low | 61 | Low | 112 Ų | 112 | 111.7 Ų | 111.7 | 69% | 0.687 | 60% | 0.598 | S | S | * | * | trans | -71 | -2.5 | 173.8 | -36.3 | 0 | 0 | 0 | 0 | 112.7 | E89 T90 | E89-T92 PolarHBondContact O-OG1 3.39Å; T90-T92 PolarHBondContact O-N 2.98Å | ||
| 93 | F | 47.5 | Very low | 60.2 | Low | 177 Ų | 177 | 118.1 Ų | 118.1 | 78% | 0.776 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -124.9 | 114.1 | 170.9 | -59.1 | -85.4 | 0 | 0 | 0 | 106.7 | D91 | D91-F93 PolarHBondContact O-N 2.79Š|
| 94 | G | 50.2 | Low | 59.2 | Low | 45 Ų | 45 | 116.2 Ų | 116.2 | 46% | 0.464 | 62% | 0.617 | S | S | . | * | trans | -55.1 | 176.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G96 | G94-G96 PolarHBondContact O-N 3.18Š| ||
| 95 | P | 51.4 | Low | 58.6 | Low | 118 Ų | 118 | 116 Ų | 116 | 77% | 0.766 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -50.4 | 112.5 | 163.2 | 24.7 | -31 | 0 | 0 | 0 | 106.3 | D97 | P95-D97 PolarHBondContact O-N 3.43Š|
| 96 | G | 45.6 | Very low | 57.7 | Low | 62 Ų | 62 | 123.1 Ų | 123.1 | 64% | 0.639 | 66% | 0.656 | S | S | * | * | trans | -55 | 112.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106 | G94 D98 | G94-G96 PolarHBondContact O-N 3.18Å; G96-D98 PolarHBondContact O-N 2.92Å | ||
| 97 | D | 45.4 | Very low | 56.6 | Low | 157 Ų | 157 | 117.1 Ų | 117.1 | 84% | 0.84 | 64% | 0.643 | S | S | * | * | trans | -60 | 75.4 | 136.2 | -80.8 | -39.7 | 0 | 0 | 0 | 105.6 | P95 D99 | P95-D97 PolarHBondContact O-N 3.43Å; D97-D99 PolarHBondContact O-N 2.88Å | ||
| 98 | D | 51.2 | Low | 55.4 | Low | 154 Ų | 154 | 122.5 Ų | 122.5 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | trans | -92.8 | 31.1 | 174.4 | -138.4 | 9.3 | 0 | 0 | 0 | 108.7 | G96 | G96-D98 PolarHBondContact O-N 2.92Š| ||
| 99 | D | 51.2 | Low | 54.4 | Low | 159 Ų | 159 | 125.7 Ų | 125.7 | 85% | 0.85 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -135.6 | 23.5 | -179.5 | -88.1 | -36.7 | 0 | 0 | 0 | 112.2 | D97 | D97-D99 PolarHBondContact O-N 2.88Š|
| 100 | E | 55.7 | Low | 54 | Low | 161 Ų | 161 | 128.2 Ų | 128.2 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | -134.1 | 71.5 | 164.2 | -74.4 | -168.3 | 179.5 | 0 | 0 | 111.7 | Q102 | E100-Q102 PolarHBondContact O-N 3.44Š| ||
| 101 | I | 61.1 | Low | 53.9 | Low | 147 Ų | 147 | 130.7 Ų | 130.7 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | -83 | 92.1 | 144 | -55.7 | 176 | 0 | 0 | 0 | 105.8 | F103 | I101-F103 HydrophobicContact CG2-CD2 3.66Å; I101-F103 HydrophobicContact CG2-CE2 3.92Å; I101-F103 PolarHBondContact O-N 2.96Å; I101-F103 VanDerWaalsContact O-N 3.11Å | ||
| 102 | Q | 57.1 | Low | 54 | Low | 150 Ų | 150 | 134.5 Ų | 134.5 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | -67.6 | 101.7 | 157.2 | -88.8 | -176.8 | -25.9 | 0 | 0 | 106.8 | E100 D104 | E100-Q102 PolarHBondContact O-N 3.44Å; Q102-D104 PolarHBondContact O-N 3.11Å | ||
| 103 | F | 61.3 | Low | 54.5 | Low | 176 Ų | 176 | 137.3 Ų | 137.3 | 77% | 0.772 | 74% | 0.74 | S | S | * | * | trans | -67.3 | 89.7 | 155.9 | -99.9 | -94.1 | 0 | 0 | 0 | 106.4 | I101 D105 | I101-F103 HydrophobicContact CG2-CD2 3.66Å; I101-F103 HydrophobicContact CG2-CE2 3.92Å; I101-F103 PolarHBondContact O-N 2.96Å; I101-F103 VanDerWaalsContact O-N 3.11Å; F103-D105 PolarHBondContact O-N 3.22Å | ||
| 104 | D | 51.9 | Low | 55 | Low | 136 Ų | 136 | 135.6 Ų | 135.6 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -66 | 110.5 | 159.9 | -98.5 | -7.9 | 0 | 0 | 0 | 107 | Q102 | Q102-D104 PolarHBondContact O-N 3.11Š| ||
| 105 | D | 59.4 | Low | 55.4 | Low | 144 Ų | 144 | 141.2 Ų | 141.2 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 46.5 | 83.8 | 140.6 | -147 | 30.7 | 0 | 0 | 0 | 115.5 | F103 G107 | F103-D105 PolarHBondContact O-N 3.22Å; D105-G107 PolarHBondContact O-N 2.89Å | ||
| 106 | I | 59.1 | Low | 55.3 | Low | 157 Ų | 157 | 147 Ų | 147 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -70.6 | 81.7 | 146.4 | -63.3 | 174.8 | 0 | 0 | 0 | 105 | ||||
| 107 | G | 53.9 | Low | 55.8 | Low | 44 Ų | 44 | 151.3 Ų | 151.3 | 45% | 0.454 | 79% | 0.788 | S | S | . | * | trans | -60.3 | 138.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | D105 | D105-G107 PolarHBondContact O-N 2.89Š| ||
| 108 | D | 56.5 | Low | 56.3 | Low | 155 Ų | 155 | 151 Ų | 151 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -37.6 | 159.5 | 169.9 | -105.4 | -26.3 | 0 | 0 | 0 | 115.5 | ||||
| 109 | D | 56.8 | Low | 56.6 | Low | 117 Ų | 117 | 150.8 Ų | 150.8 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | trans | 73.2 | 97.6 | 160.4 | -73.9 | -15.2 | 0 | 0 | 0 | 118.5 | ||||
| 110 | D | 56 | Low | 56.9 | Low | 173 Ų | 173 | 150.4 Ų | 150.4 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | -137.2 | 101.1 | 116.3 | -91.8 | -37.4 | 0 | 0 | 0 | 107.8 | |||||
| 111 | E | 57.8 | Low | 57 | Low | 153 Ų | 153 | 149.7 Ų | 149.7 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | trans | -54.4 | 164.9 | 158.8 | -71.1 | -174.1 | -155.3 | 0 | 0 | 110.5 | ||||
| 112 | D | 57.5 | Low | 56.7 | Low | 128 Ų | 128 | 149.9 Ų | 149.9 | 68% | 0.684 | 78% | 0.783 | S | S | * | * | trans | 89.7 | 65.9 | 167.6 | -47.3 | -29.9 | 0 | 0 | 0 | 117.9 | D114 | D112-D114 VanDerWaalsContact C-N 3.32Å; D112-D114 PolarHBondContact O-N 3.2Å | ||
| 113 | I | 58.7 | Low | 56.7 | Low | 171 Ų | 171 | 149.9 Ų | 149.9 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -78.3 | 93.5 | 138.3 | -71.7 | 175.3 | 0 | 0 | 0 | 106.6 | D115 | I113-D115 PolarHBondContact O-N 3.41Š| ||
| 114 | D | 57.3 | Low | 56.3 | Low | 140 Ų | 140 | 147.8 Ų | 147.8 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -66 | 120.7 | 164.9 | -87.6 | -32.1 | 0 | 0 | 0 | 109.4 | D112 I116 | D112-D114 VanDerWaalsContact C-N 3.32Å; D112-D114 PolarHBondContact O-N 3.2Å; D114-I116 PolarHBondContact O-N 3.34Å | ||
| 115 | D | 58.1 | Low | 56.7 | Low | 163 Ų | 163 | 148.8 Ų | 148.8 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -60.1 | 108.2 | 161.1 | -98.3 | -31.3 | 0 | 0 | 0 | 109.5 | I113 | I113-D115 PolarHBondContact O-N 3.41Š| ||
| 116 | I | 48.9 | Very low | 56.4 | Low | 241 Ų | 241 | 149.3 Ų | 149.3 | 100% | 1.236 | 80% | 0.797 | S | S | * | * | trans | -155.7 | 0 | 149.1 | -122.9 | 167.6 | 0 | 0 | 0 | 113.5 | D114 | D114-I116 PolarHBondContact O-N 3.34Š|
Retrieved 116 of 116 residues in 21.7 ms
(Link to these results)