| 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 | P | 44.3 | Very low | 69 | Low | 136 Ų | 136 | 92.5 Ų | 92.5 | 88% | 0.883 | 55% | 0.553 | S | S | * | * | 0 | 124 | 0 | 20.2 | -0.7 | 0 | 0 | 0 | 111.5 | |||||
| 2 | A | 43.9 | Very low | 70.2 | Confident | 83 Ų | 83 | 85.9 Ų | 85.9 | 69% | 0.686 | 52% | 0.519 | S | S | * | . | trans | -66.7 | 144.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T4 | A2-T4 PolarHBondContact O-N 2.82Š| ||
| 3 | P | 56.7 | Low | 70.8 | Confident | 129 Ų | 129 | 90.8 Ų | 90.8 | 84% | 0.838 | 52% | 0.522 | S | S | * | . | trans | -62 | 113.8 | 176.8 | 24.5 | -31.7 | 0 | 0 | 0 | 109.4 | G5 | P3-G5 PolarHBondContact O-N 3.17Š| ||
| 4 | T | 60.8 | Low | 71.1 | Confident | 101 Ų | 101 | 95.6 Ų | 95.6 | 62% | 0.62 | 55% | 0.545 | S | S | * | . | trans | -68.4 | 24.7 | -172.8 | 47.6 | 0 | 0 | 0 | 0 | 116.1 | A2 K6 | A2-T4 PolarHBondContact O-N 2.82Å; T4-K6 PolarHBondContact O-N 2.91Å; T4-K6 WeakPolarHBondContact OG1-CE 3.23Å; T4-K6 WeakPolarHBondContact OG1-CG 3.32Å; T4-K6 PolarHBondContact OG1-NZ 2.66Å | ||
| 5 | G | 68.1 | Low | 71.5 | Confident | 35 Ų | 35 | 95.9 Ų | 95.9 | 36% | 0.361 | 54% | 0.544 | S | S | . | . | S | Bend | trans | 62.1 | 1.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | P3 S7 Y8 T9 | P3-G5 PolarHBondContact O-N 3.17Å; G5-S7 PolarHBondContact O-N 3.02Å; G5-Y8 WeakPolarHBondContact O-CA 3.28Å; G5-Y8 WeakPolarHBondContact O-CB 3.39Å; G5-Y8 PolarHBondContact O-N 3.45Å; G5-T9 PolarHBondContact O-N 2.88Å; G5-T9 PolarHBondContact O-OG1 3.39Å |
| 6 | K | 77.3 | Confident | 71.5 | Confident | 141 Ų | 141 | 92.6 Ų | 92.6 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -54.5 | -48.2 | -171.2 | -49.4 | -173.5 | -159.8 | -57.9 | 0 | 112.4 | T4 Y8 T9 M10 | T4-K6 PolarHBondContact O-N 2.91Å; T4-K6 WeakPolarHBondContact OG1-CE 3.23Å; T4-K6 WeakPolarHBondContact OG1-CG 3.32Å; T4-K6 PolarHBondContact OG1-NZ 2.66Å; K6-Y8 VanDerWaalsContact C-N 3.35Å; K6-Y8 PolarHBondContact O-N 2.82Å; K6-T9 PolarHBondContact O-N 3.24Å; K6-M10 WeakPolarHBondContact O-CG 3.29Å; K6-M10 PolarHBondContact O-N 3.42Å; K6-M10 VanDerWaalsContact O-N 3.08Å |
| 7 | S | 77.9 | Confident | 71.4 | Confident | 69 Ų | 69 | 97.2 Ų | 97.2 | 48% | 0.483 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.6 | -36.3 | 178.1 | -49.5 | 0 | 0 | 0 | 0 | 112.2 | G5 M10 I11 | G5-S7 PolarHBondContact O-N 3.02Å; S7-M10 PolarHBondContact O-N 3.46Å; S7-I11 WeakPolarHBondContact O-CB 3.43Å; S7-I11 PolarHBondContact O-N 3.01Å |
| 8 | Y | 78.8 | Confident | 71.2 | Confident | 104 Ų | 104 | 102.1 Ų | 102.1 | 41% | 0.408 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.2 | -41.3 | 176.7 | -178 | -95.8 | 0 | 0 | 0 | 111.4 | G5 K6 G12 R13 N19 | G5-Y8 WeakPolarHBondContact O-CA 3.28Å; G5-Y8 WeakPolarHBondContact O-CB 3.39Å; G5-Y8 PolarHBondContact O-N 3.45Å; K6-Y8 VanDerWaalsContact C-N 3.35Å; K6-Y8 PolarHBondContact O-N 2.82Å; Y8-G12 WeakPolarHBondContact O-CA 3.44Å; Y8-G12 PolarHBondContact O-N 3.14Å; Y8-R13 HydrophobicContact CD2-CG 4.33Å; Y8-R13 HydrophobicContact CE2-CG 3.96Å; Y8-N19 PolarHBondContact OH-OD1 2.87Å |
| 9 | T | 82.3 | Confident | 71.6 | Confident | 84 Ų | 84 | 98.9 Ų | 98.9 | 52% | 0.515 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 175.4 | -55.2 | 0 | 0 | 0 | 0 | 112 | G5 K6 G21 I22 | G5-T9 PolarHBondContact O-N 2.88Å; G5-T9 PolarHBondContact O-OG1 3.39Å; K6-T9 PolarHBondContact O-N 3.24Å; T9-G21 WeakPolarHBondContact O-CA 3.36Å; T9-I22 HydrophobicContact CG2-CG1 4.28Å; T9-I22 WeakPolarHBondContact O-CG1 3.43Å; T9-I22 PolarHBondContact O-N 3.16Å |
| 10 | M | 85.8 | Confident | 72 | Confident | 90 Ų | 90 | 97.7 Ų | 97.7 | 44% | 0.443 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -77.4 | -43.4 | -174.3 | -66.8 | -59.2 | -69.8 | 0 | 0 | 113.3 | K6 S7 G21 I22 I23 | K6-M10 WeakPolarHBondContact O-CG 3.29Å; K6-M10 PolarHBondContact O-N 3.42Å; K6-M10 VanDerWaalsContact O-N 3.08Å; S7-M10 PolarHBondContact O-N 3.46Å; M10-G21 CarbonylContact O-C 3.57Å; M10-I22 PolarHBondContact O-N 2.87Å; M10-I22 VanDerWaalsContact O-N 3.15Å; M10-I23 HydrophobicContact CB-CD1 4.03Å; M10-I23 HydrophobicContact CB-CG1 4.37Å; M10-I23 HydrophobicContact CE-CD1 4.05Å; M10-I23 HydrophobicContact CE-CG1 3.89Å; M10-I23 WeakPolarHBondContact O-CB 3.42Å; M10-I23 VanDerWaalsContact O-CG1 3.3Å; M10-I23 WeakPolarHBondContact O-CG1 3.42Å; M10-I23 PolarHBondContact O-N 3.43Å |
| 11 | I | 83.4 | Confident | 72.7 | Confident | 45 Ų | 45 | 93.1 Ų | 93.1 | 23% | 0.231 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -41.7 | -174.2 | -61 | 163.3 | 0 | 0 | 0 | 110.6 | S7 G21 P24 I99 | S7-I11 WeakPolarHBondContact O-CB 3.43Å; S7-I11 PolarHBondContact O-N 3.01Å; I11-G21 VanDerWaalsContact C-CA 3.43Å; I11-G21 VanDerWaalsContact O-CA 3.3Å; I11-G21 WeakPolarHBondContact O-CA 3.38Å; I11-G21 PolarHBondContact O-N 2.97Å; I11-P24 WeakPolarHBondContact O-CG 3.24Å; I11-I99 HydrophobicContact CB-CD1 4.37Å; I11-I99 HydrophobicContact CD1-CD1 3.74Å; I11-I99 HydrophobicContact CD1-CG1 3.82Å; I11-I99 HydrophobicContact CG1-CD1 3.92Å; I11-I99 HydrophobicContact CG1-CG1 4.44Å; I11-I99 HydrophobicContact CG2-CD1 3.53Å |
| 12 | G | 83.8 | Confident | 74.8 | Confident | 14 Ų | 14 | 91.5 Ų | 91.5 | 14% | 0.144 | 50% | 0.498 | C | S | . | . | B | Isolated β-bridge | trans | 79.6 | -157.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y8 N19 | Y8-G12 WeakPolarHBondContact O-CA 3.44Å; Y8-G12 PolarHBondContact O-N 3.14Å; G12-N19 CarbonylContact C-O 3.43Å; G12-N19 WeakPolarHBondContact CA-O 3.42Å |
| 13 | R | 77.3 | Confident | 77.1 | Confident | 150 Ų | 150 | 88.9 Ų | 88.9 | 57% | 0.566 | 47% | 0.472 | S | S | * | . | trans | -132.6 | 153.5 | 169.1 | -70.6 | -177.7 | -178.9 | 160.8 | -0.6 | 109.3 | Y8 D15 N19 | Y8-R13 HydrophobicContact CD2-CG 4.33Å; Y8-R13 HydrophobicContact CE2-CG 3.96Å; R13-D15 VanDerWaalsContact C-N 3.33Å; R13-D15 VanDerWaalsContact CB-OD1 3.23Å; R13-D15 WeakPolarHBondContact CB-OD1 3.27Å; R13-N19 HydrophobicContact CB-CB 4.21Å; R13-N19 PolarHBondContact N-O 3.28Å; R13-N19 CarbonylContact O-C 3.35Å | ||
| 14 | D | 75.6 | Confident | 78.7 | Confident | 157 Ų | 157 | 84.2 Ų | 84.2 | 84% | 0.84 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -88.1 | 0.4 | 179.7 | 64.9 | -25 | 0 | 0 | 0 | 113.3 | S16 | D14-S16 VanDerWaalsContact C-N 3.31Å; D14-S16 PolarHBondContact O-N 2.96Å |
| 15 | D | 77.4 | Confident | 80.1 | Confident | 100 Ų | 100 | 81.7 Ų | 81.7 | 54% | 0.535 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -68.1 | -26 | -178.3 | 61.9 | -14.7 | 0 | 0 | 0 | 113.7 | R13 N19 | R13-D15 VanDerWaalsContact C-N 3.33Å; R13-D15 VanDerWaalsContact CB-OD1 3.23Å; R13-D15 WeakPolarHBondContact CB-OD1 3.27Å; D15-N19 VanDerWaalsContact CG-ND2 3.27Å; D15-N19 WeakPolarHBondContact OD1-CB 3.44Å; D15-N19 PolarHBondContact OD1-ND2 3.05Å; D15-N19 PolarHBondContact OD2-ND2 2.78Å |
| 16 | S | 71.6 | Confident | 81.2 | Confident | 44 Ų | 44 | 82.7 Ų | 82.7 | 31% | 0.308 | 43% | 0.432 | S | S | . | . | trans | -155.1 | 156.1 | 171.6 | 78.7 | 0 | 0 | 0 | 0 | 112.5 | D14 Q18 N19 L20 | D14-S16 VanDerWaalsContact C-N 3.31Å; D14-S16 PolarHBondContact O-N 2.96Å; S16-Q18 PolarHBondContact O-N 2.74Å; S16-Q18 VanDerWaalsContact O-N 3.11Å; S16-Q18 PolarHBondContact OG-N 2.95Å; S16-N19 PolarHBondContact O-N 2.88Å; S16-N19 VanDerWaalsContact OG-CG 3.28Å; S16-N19 PolarHBondContact OG-N 2.89Å; S16-N19 PolarHBondContact OG-ND2 3.02Å; S16-L20 PolarHBondContact O-N 3.06Å | ||
| 17 | M | 68.3 | Low | 81.9 | Confident | 171 Ų | 171 | 76.2 Ų | 76.2 | 84% | 0.842 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -23.5 | 174.4 | -63.7 | -175 | 96.3 | 0 | 0 | 113.2 | N19 L20 | M17-N19 VanDerWaalsContact C-N 3.29Å; M17-L20 HydrophobicContact CB-CD1 4.4Å |
| 18 | Q | 68 | Low | 82.5 | Confident | 184 Ų | 184 | 76.4 Ų | 76.4 | 86% | 0.86 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -17 | 178.4 | -60.7 | -177.7 | 29.9 | 0 | 0 | 112.6 | S16 | S16-Q18 PolarHBondContact O-N 2.74Å; S16-Q18 VanDerWaalsContact O-N 3.11Å; S16-Q18 PolarHBondContact OG-N 2.95Å |
| 19 | N | 79.2 | Confident | 83.2 | Confident | 43 Ų | 43 | 79.2 Ų | 79.2 | 23% | 0.23 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -101.9 | -0.9 | -179.6 | -64.3 | -27.2 | 0 | 0 | 0 | 112.7 | Y8 G12 R13 D15 S16 M17 G21 | Y8-N19 PolarHBondContact OH-OD1 2.87Å; G12-N19 CarbonylContact C-O 3.43Å; G12-N19 WeakPolarHBondContact CA-O 3.42Å; R13-N19 HydrophobicContact CB-CB 4.21Å; R13-N19 PolarHBondContact N-O 3.28Å; R13-N19 CarbonylContact O-C 3.35Å; D15-N19 VanDerWaalsContact CG-ND2 3.27Å; D15-N19 WeakPolarHBondContact OD1-CB 3.44Å; D15-N19 PolarHBondContact OD1-ND2 3.05Å; D15-N19 PolarHBondContact OD2-ND2 2.78Å; S16-N19 PolarHBondContact O-N 2.88Å; S16-N19 VanDerWaalsContact OG-CG 3.28Å; S16-N19 PolarHBondContact OG-N 2.89Å; S16-N19 PolarHBondContact OG-ND2 3.02Å; M17-N19 VanDerWaalsContact C-N 3.29Å; N19-G21 PolarHBondContact O-N 3.44Å |
| 20 | L | 79.2 | Confident | 83.8 | Confident | 73 Ų | 73 | 77.2 Ų | 77.2 | 38% | 0.382 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -59.7 | 130.7 | 173.2 | -76.5 | 166.8 | 0 | 0 | 0 | 110.1 | S16 M17 P24 | S16-L20 PolarHBondContact O-N 3.06Å; M17-L20 HydrophobicContact CB-CD1 4.4Å; L20-P24 HydrophobicContact CD2-CB 4.3Å; L20-P24 HydrophobicContact CD2-CG 4.22Å |
| 21 | G | 86.8 | Confident | 84.1 | Confident | 3 Ų | 3 | 73.8 Ų | 73.8 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | trans | -72.7 | 173.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T9 M10 I11 N19 I23 P24 C25 | T9-G21 WeakPolarHBondContact O-CA 3.36Å; M10-G21 CarbonylContact O-C 3.57Å; I11-G21 VanDerWaalsContact C-CA 3.43Å; I11-G21 VanDerWaalsContact O-CA 3.3Å; I11-G21 WeakPolarHBondContact O-CA 3.38Å; I11-G21 PolarHBondContact O-N 2.97Å; N19-G21 PolarHBondContact O-N 3.44Å; G21-I23 VanDerWaalsContact C-N 3.3Å; G21-I23 PolarHBondContact O-N 2.93Å; G21-P24 VanDerWaalsContact O-CD 3.29Å; G21-P24 WeakPolarHBondContact O-CD 3.44Å; G21-P24 WeakPolarHBondContact O-CG 3.31Å; G21-C25 WeakPolarHBondContact O-CB 3.22Å; G21-C25 PolarHBondContact O-N 3.2Å; G21-C25 PolarHBondContact O-SG 2.87Å | ||
| 22 | I | 89.9 | Confident | 84.5 | Confident | 102 Ų | 102 | 77 Ų | 77 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 178.5 | -59.9 | -57.6 | 0 | 0 | 0 | 112.1 | T9 M10 A26 | T9-I22 HydrophobicContact CG2-CG1 4.28Å; T9-I22 WeakPolarHBondContact O-CG1 3.43Å; T9-I22 PolarHBondContact O-N 3.16Å; M10-I22 PolarHBondContact O-N 2.87Å; M10-I22 VanDerWaalsContact O-N 3.15Å; I22-A26 VanDerWaalsContact O-CB 3.23Å; I22-A26 WeakPolarHBondContact O-CB 3.45Å; I22-A26 PolarHBondContact O-N 3.44Å |
| 23 | I | 91.1 | Very high | 84.9 | Confident | 28 Ų | 28 | 80.6 Ų | 80.6 | 14% | 0.144 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.9 | -56.4 | -177.3 | -58.1 | 172 | 0 | 0 | 0 | 112 | M10 G21 C25 A26 I27 L95 F121 | M10-I23 HydrophobicContact CB-CD1 4.03Å; M10-I23 HydrophobicContact CB-CG1 4.37Å; M10-I23 HydrophobicContact CE-CD1 4.05Å; M10-I23 HydrophobicContact CE-CG1 3.89Å; M10-I23 WeakPolarHBondContact O-CB 3.42Å; M10-I23 VanDerWaalsContact O-CG1 3.3Å; M10-I23 WeakPolarHBondContact O-CG1 3.42Å; M10-I23 PolarHBondContact O-N 3.43Å; G21-I23 VanDerWaalsContact C-N 3.3Å; G21-I23 PolarHBondContact O-N 2.93Å; I23-C25 VanDerWaalsContact C-N 3.25Å; I23-C25 PolarHBondContact O-N 2.82Å; I23-A26 PolarHBondContact O-N 3.01Å; I23-A26 VanDerWaalsContact O-N 3.1Å; I23-I27 HydrophobicContact CG2-CD1 4Å; I23-I27 HydrophobicContact CG2-CG1 4.47Å; I23-I27 WeakPolarHBondContact O-CG1 3.5Å; I23-I27 PolarHBondContact O-N 3.43Å; I23-L95 HydrophobicContact CB-CD2 4.15Å; I23-L95 HydrophobicContact CD1-CD1 4.44Å; I23-L95 HydrophobicContact CG2-CD1 3.9Å; I23-L95 HydrophobicContact CG2-CD2 3.58Å; I23-L95 HydrophobicContact CG2-CG 4.37Å; I23-F121 HydrophobicContact CG2-CD1 4.15Å |
| 24 | P | 89.7 | Confident | 85.6 | Confident | 31 Ų | 31 | 74.2 Ų | 74.2 | 20% | 0.201 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.8 | -35.7 | 178.9 | 22.3 | -32.8 | 0 | 0 | 0 | 112.2 | I11 L20 G21 I27 S28 | I11-P24 WeakPolarHBondContact O-CG 3.24Å; L20-P24 HydrophobicContact CD2-CB 4.3Å; L20-P24 HydrophobicContact CD2-CG 4.22Å; G21-P24 VanDerWaalsContact O-CD 3.29Å; G21-P24 WeakPolarHBondContact O-CD 3.44Å; G21-P24 WeakPolarHBondContact O-CG 3.31Å; P24-I27 PolarHBondContact O-N 3.07Å; P24-S28 PolarHBondContact O-N 2.87Å |
| 25 | C | 90.1 | Very high | 86.3 | Confident | 48 Ų | 48 | 70.2 Ų | 70.2 | 32% | 0.324 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 172.4 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | G21 I23 I27 S28 W29 | G21-C25 WeakPolarHBondContact O-CB 3.22Å; G21-C25 PolarHBondContact O-N 3.2Å; G21-C25 PolarHBondContact O-SG 2.87Å; I23-C25 VanDerWaalsContact C-N 3.25Å; I23-C25 PolarHBondContact O-N 2.82Å; C25-I27 VanDerWaalsContact C-N 3.34Å; C25-I27 PolarHBondContact O-N 3.3Å; C25-S28 PolarHBondContact O-N 3.45Å; C25-W29 VanDerWaalsContact O-CD1 3.3Å; C25-W29 PolarHBondContact O-N 2.86Å |
| 26 | A | 92.6 | Very high | 87 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I22 I23 L30 | I22-A26 VanDerWaalsContact O-CB 3.23Å; I22-A26 WeakPolarHBondContact O-CB 3.45Å; I22-A26 PolarHBondContact O-N 3.44Å; I23-A26 PolarHBondContact O-N 3.01Å; I23-A26 VanDerWaalsContact O-N 3.1Å; A26-L30 VanDerWaalsContact O-CB 3.22Å; A26-L30 WeakPolarHBondContact O-CB 3.28Å; A26-L30 PolarHBondContact O-N 2.94Å |
| 27 | I | 92 | Very high | 87.9 | Confident | 6 Ų | 6 | 73.9 Ų | 73.9 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59 | -52.3 | 174.4 | -70.2 | 171.1 | 0 | 0 | 0 | 110.1 | I23 P24 C25 W29 L30 F31 A91 L95 F121 L123 | I23-I27 HydrophobicContact CG2-CD1 4Å; I23-I27 HydrophobicContact CG2-CG1 4.47Å; I23-I27 WeakPolarHBondContact O-CG1 3.5Å; I23-I27 PolarHBondContact O-N 3.43Å; P24-I27 PolarHBondContact O-N 3.07Å; C25-I27 VanDerWaalsContact C-N 3.34Å; C25-I27 PolarHBondContact O-N 3.3Å; I27-W29 PolarHBondContact O-N 3.29Å; I27-L30 PolarHBondContact O-N 3.4Å; I27-F31 HydrophobicContact CG2-CD2 3.86Å; I27-F31 HydrophobicContact CG2-CE2 3.94Å; I27-F31 VanDerWaalsContact O-CD2 3.28Å; I27-F31 WeakPolarHBondContact O-CD2 3.43Å; I27-F31 PolarHBondContact O-N 3.33Å; I27-A91 HydrophobicContact CD1-CB 4.42Å; I27-A91 HydrophobicContact CG2-CB 3.68Å; I27-L95 HydrophobicContact CD1-CD2 4.24Å; I27-F121 HydrophobicContact CD1-CE1 3.98Å; I27-L123 HydrophobicContact CG1-CD1 4.48Å; I27-L123 HydrophobicContact CG1-CD2 4.28Å |
| 28 | S | 90.6 | Very high | 88.8 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 51% | 0.51 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 180 | 180 | 0 | 0 | 0 | 0 | 112 | P24 C25 L30 F31 K32 | P24-S28 PolarHBondContact O-N 2.87Å; C25-S28 PolarHBondContact O-N 3.45Å; S28-L30 PolarHBondContact O-N 2.81Å; S28-F31 PolarHBondContact O-N 3.42Å; S28-K32 WeakPolarHBondContact O-CB 3.32Å; S28-K32 PolarHBondContact O-N 2.97Å; S28-K32 VanDerWaalsContact O-N 3.07Å |
| 29 | W | 93.4 | Very high | 89.8 | Confident | 162 Ų | 162 | 68.2 Ų | 68.2 | 61% | 0.614 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | 176.9 | -87.7 | 95.7 | 0 | 0 | 0 | 112.8 | C25 I27 K32 L33 | C25-W29 VanDerWaalsContact O-CD1 3.3Å; C25-W29 PolarHBondContact O-N 2.86Å; I27-W29 PolarHBondContact O-N 3.29Å; W29-K32 PolarHBondContact O-N 3.41Å; W29-L33 WeakPolarHBondContact O-CG 3.32Å; W29-L33 PolarHBondContact O-N 2.85Å |
| 30 | L | 94.3 | Very high | 90.4 | Very high | 42 Ų | 42 | 73.7 Ų | 73.7 | 22% | 0.22 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.6 | -49.7 | 179.3 | 175.4 | 66.2 | 0 | 0 | 0 | 111.4 | A26 I27 S28 K32 L33 I34 L123 I125 | A26-L30 VanDerWaalsContact O-CB 3.22Å; A26-L30 WeakPolarHBondContact O-CB 3.28Å; A26-L30 PolarHBondContact O-N 2.94Å; I27-L30 PolarHBondContact O-N 3.4Å; S28-L30 PolarHBondContact O-N 2.81Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 3.48Å; L30-L33 PolarHBondContact O-N 2.93Å; L30-L33 VanDerWaalsContact O-N 3.16Å; L30-I34 HydrophobicContact CD1-CD1 4.06Å; L30-I34 HydrophobicContact CD1-CG1 4.28Å; L30-I34 HydrophobicContact CD2-CD1 4.4Å; L30-I34 HydrophobicContact CG-CD1 3.88Å; L30-I34 HydrophobicContact CG-CG1 4.46Å; L30-I34 WeakPolarHBondContact O-CG1 3.4Å; L30-I34 PolarHBondContact O-N 2.84Å; L30-L123 HydrophobicContact CD2-CB 4.38Å; L30-L123 HydrophobicContact CD2-CD2 3.61Å; L30-I125 HydrophobicContact CD1-CD1 3.54Å; L30-I125 HydrophobicContact CD2-CD1 3.84Å; L30-I125 HydrophobicContact CD2-CG1 4.27Å; L30-I125 HydrophobicContact CG-CD1 4.27Å |
| 31 | F | 91.8 | Very high | 90.9 | Very high | 19 Ų | 19 | 74.2 Ų | 74.2 | 8% | 0.083 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.9 | -34 | -178.6 | -80.3 | -71.4 | 0 | 0 | 0 | 112.4 | I27 S28 I34 N35 V47 L83 P87 A88 A91 L123 | I27-F31 HydrophobicContact CG2-CD2 3.86Å; I27-F31 HydrophobicContact CG2-CE2 3.94Å; I27-F31 VanDerWaalsContact O-CD2 3.28Å; I27-F31 WeakPolarHBondContact O-CD2 3.43Å; I27-F31 PolarHBondContact O-N 3.33Å; S28-F31 PolarHBondContact O-N 3.42Å; F31-I34 HydrophobicContact CD1-CD1 4.39Å; F31-I34 PolarHBondContact O-N 2.97Å; F31-N35 WeakPolarHBondContact O-CB 3.47Å; F31-N35 PolarHBondContact O-N 3.23Å; F31-V47 HydrophobicContact CE1-CB 4.28Å; F31-V47 HydrophobicContact CE1-CG2 3.92Å; F31-V47 HydrophobicContact CZ-CB 4.23Å; F31-V47 HydrophobicContact CZ-CG1 4.01Å; F31-V47 HydrophobicContact CZ-CG2 4.25Å; F31-L83 HydrophobicContact CE1-CD1 4.13Å; F31-L83 HydrophobicContact CZ-CD1 3.92Å; F31-P87 HydrophobicContact CD1-CB 3.78Å; F31-P87 HydrophobicContact CD1-CG 3.79Å; F31-P87 HydrophobicContact CE1-CB 3.52Å; F31-P87 HydrophobicContact CE1-CG 4.06Å; F31-P87 WeakPolarHBondContact CE2-O 3.28Å; F31-P87 HydrophobicContact CZ-CB 4.13Å; F31-P87 VanDerWaalsContact CZ-O 3.27Å; F31-P87 WeakPolarHBondContact CZ-O 3.44Å; F31-A88 HydrophobicContact CB-CB 3.96Å; F31-A88 VanDerWaalsContact CD2-CA 3.47Å; F31-A88 HydrophobicContact CD2-CB 3.78Å; F31-A88 HydrophobicContact CG-CB 4.02Å; F31-A91 HydrophobicContact CE2-CB 3.66Å; F31-A91 HydrophobicContact CZ-CB 4.23Å; F31-L123 HydrophobicContact CE2-CD2 4.29Å |
| 32 | K | 92.2 | Very high | 90.8 | Very high | 112 Ų | 112 | 76.9 Ų | 76.9 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.7 | -50.3 | 168.9 | -176.8 | -178.6 | 176.2 | -178.3 | 0 | 111.4 | S28 W29 L30 I34 N35 E36 | S28-K32 WeakPolarHBondContact O-CB 3.32Å; S28-K32 PolarHBondContact O-N 2.97Å; S28-K32 VanDerWaalsContact O-N 3.07Å; W29-K32 PolarHBondContact O-N 3.41Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 3.48Å; K32-I34 PolarHBondContact O-N 3.22Å; K32-N35 PolarHBondContact O-N 2.88Å; K32-E36 VanDerWaalsContact CE-OE1 3.28Å; K32-E36 WeakPolarHBondContact CE-OE1 3.33Å; K32-E36 WeakPolarHBondContact O-CG 3.27Å; K32-E36 PolarHBondContact O-N 2.97Å |
| 33 | L | 92.8 | Very high | 90.7 | Very high | 89 Ų | 89 | 72.7 Ų | 72.7 | 47% | 0.466 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 179.4 | -71.1 | 173.3 | 0 | 0 | 0 | 112.8 | W29 L30 N35 R37 | W29-L33 WeakPolarHBondContact O-CG 3.32Å; W29-L33 PolarHBondContact O-N 2.85Å; L30-L33 PolarHBondContact O-N 2.93Å; L30-L33 VanDerWaalsContact O-N 3.16Å; L33-N35 VanDerWaalsContact C-N 3.34Å; L33-R37 WeakPolarHBondContact O-CB 3.34Å; L33-R37 VanDerWaalsContact O-CG 3.24Å; L33-R37 WeakPolarHBondContact O-CG 3.38Å; L33-R37 PolarHBondContact O-N 2.85Å |
| 34 | I | 91.7 | Very high | 90.5 | Very high | 17 Ų | 17 | 79.2 Ų | 79.2 | 9% | 0.087 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61 | -46.1 | 174 | -71.6 | 171.6 | 0 | 0 | 0 | 109.7 | L30 F31 K32 R37 K38 F45 V47 I125 | L30-I34 HydrophobicContact CD1-CD1 4.06Å; L30-I34 HydrophobicContact CD1-CG1 4.28Å; L30-I34 HydrophobicContact CD2-CD1 4.4Å; L30-I34 HydrophobicContact CG-CD1 3.88Å; L30-I34 HydrophobicContact CG-CG1 4.46Å; L30-I34 WeakPolarHBondContact O-CG1 3.4Å; L30-I34 PolarHBondContact O-N 2.84Å; F31-I34 HydrophobicContact CD1-CD1 4.39Å; F31-I34 PolarHBondContact O-N 2.97Å; K32-I34 PolarHBondContact O-N 3.22Å; I34-R37 PolarHBondContact O-N 2.82Å; I34-K38 HydrophobicContact CG2-CD 3.92Å; I34-K38 HydrophobicContact CG2-CG 4.34Å; I34-K38 VanDerWaalsContact O-CG 3.29Å; I34-K38 WeakPolarHBondContact O-CG 3.3Å; I34-K38 PolarHBondContact O-N 3.44Å; I34-F45 HydrophobicContact CG2-CB 3.86Å; I34-F45 HydrophobicContact CG2-CD1 4.45Å; I34-F45 HydrophobicContact CG2-CD2 3.9Å; I34-F45 HydrophobicContact CG2-CG 3.83Å; I34-V47 HydrophobicContact CD1-CG2 3.72Å; I34-I125 HydrophobicContact CD1-CG2 4.36Å |
| 35 | N | 90.1 | Very high | 90.5 | Very high | 73 Ų | 73 | 80 Ų | 80 | 39% | 0.39 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | -179.3 | -163.6 | 58.5 | 0 | 0 | 0 | 112.1 | F31 K32 L33 R37 K38 E39 | F31-N35 WeakPolarHBondContact O-CB 3.47Å; F31-N35 PolarHBondContact O-N 3.23Å; K32-N35 PolarHBondContact O-N 2.88Å; L33-N35 VanDerWaalsContact C-N 3.34Å; N35-R37 VanDerWaalsContact C-N 3.26Å; N35-R37 PolarHBondContact O-N 3.49Å; N35-K38 WeakPolarHBondContact O-CB 3.28Å; N35-K38 PolarHBondContact O-N 2.86Å; N35-K38 VanDerWaalsContact O-N 3.14Å; N35-E39 PolarHBondContact ND2-OE1 3.35Å; N35-E39 WeakPolarHBondContact O-CG 3.26Å; N35-E39 PolarHBondContact O-N 3.3Å |
| 36 | E | 91.7 | Very high | 90.3 | Very high | 63 Ų | 63 | 78.8 Ų | 78.8 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.1 | -38.5 | 174.4 | -71.6 | 179.9 | -161.5 | 0 | 0 | 112.4 | K32 K40 | K32-E36 VanDerWaalsContact CE-OE1 3.28Å; K32-E36 WeakPolarHBondContact CE-OE1 3.33Å; K32-E36 WeakPolarHBondContact O-CG 3.27Å; K32-E36 PolarHBondContact O-N 2.97Å; E36-K40 WeakPolarHBondContact O-CB 3.4Å; E36-K40 VanDerWaalsContact O-CG 3.27Å; E36-K40 WeakPolarHBondContact O-CG 3.44Å; E36-K40 PolarHBondContact O-N 3.45Å; E36-K40 IonicContact OE2-NZ 3.83Å |
| 37 | R | 89.9 | Confident | 90.2 | Very high | 157 Ų | 157 | 76.8 Ų | 76.8 | 59% | 0.592 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -69.7 | -40.9 | 176.5 | -74.2 | -71.4 | -168.5 | 177.9 | 2.6 | 111.9 | L33 I34 N35 E39 K40 T41 F45 | L33-R37 WeakPolarHBondContact O-CB 3.34Å; L33-R37 VanDerWaalsContact O-CG 3.24Å; L33-R37 WeakPolarHBondContact O-CG 3.38Å; L33-R37 PolarHBondContact O-N 2.85Å; I34-R37 PolarHBondContact O-N 2.82Å; N35-R37 VanDerWaalsContact C-N 3.26Å; N35-R37 PolarHBondContact O-N 3.49Å; R37-E39 VanDerWaalsContact C-N 3.33Å; R37-K40 PolarHBondContact O-N 3.1Å; R37-T41 PolarHBondContact O-N 3.25Å; R37-T41 PolarHBondContact O-OG1 3.03Å; R37-F45 HydrophobicContact CB-CE2 3.96Å; R37-F45 HydrophobicContact CB-CZ 3.92Å |
| 38 | K | 87.9 | Confident | 90.1 | Very high | 95 Ų | 95 | 80.3 Ų | 80.3 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 174.6 | -73.2 | 170.6 | 68.2 | -168.6 | 0 | 110.5 | I34 N35 G42 A43 F45 | I34-K38 HydrophobicContact CG2-CD 3.92Å; I34-K38 HydrophobicContact CG2-CG 4.34Å; I34-K38 VanDerWaalsContact O-CG 3.29Å; I34-K38 WeakPolarHBondContact O-CG 3.3Å; I34-K38 PolarHBondContact O-N 3.44Å; N35-K38 WeakPolarHBondContact O-CB 3.28Å; N35-K38 PolarHBondContact O-N 2.86Å; N35-K38 VanDerWaalsContact O-N 3.14Å; K38-G42 VanDerWaalsContact O-CA 3.28Å; K38-G42 WeakPolarHBondContact O-CA 3.23Å; K38-G42 PolarHBondContact O-N 3.31Å; K38-A43 WeakPolarHBondContact CG-O 3.46Å; K38-F45 HydrophobicContact CD-CD2 4.22Å; K38-F45 HydrophobicContact CG-CD2 3.53Å; K38-F45 HydrophobicContact CG-CE2 3.94Å |
| 39 | E | 89.6 | Confident | 90.1 | Very high | 142 Ų | 142 | 78.4 Ų | 78.4 | 66% | 0.664 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | -179.9 | -70.7 | 171.5 | -174.9 | 0 | 0 | 112.6 | N35 R37 | N35-E39 PolarHBondContact ND2-OE1 3.35Å; N35-E39 WeakPolarHBondContact O-CG 3.26Å; N35-E39 PolarHBondContact O-N 3.3Å; R37-E39 VanDerWaalsContact C-N 3.33Å |
| 40 | K | 91.3 | Very high | 90.1 | Very high | 158 Ų | 158 | 72.7 Ų | 72.7 | 69% | 0.687 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -73.9 | -34.2 | -177 | -73.9 | 170.9 | -177 | 164.6 | 0 | 114.3 | E36 R37 | E36-K40 WeakPolarHBondContact O-CB 3.4Å; E36-K40 VanDerWaalsContact O-CG 3.27Å; E36-K40 WeakPolarHBondContact O-CG 3.44Å; E36-K40 PolarHBondContact O-N 3.45Å; E36-K40 IonicContact OE2-NZ 3.83Å; R37-K40 PolarHBondContact O-N 3.1Å |
| 41 | T | 89.3 | Confident | 90 | Very high | 83 Ų | 83 | 70.7 Ų | 70.7 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -119.7 | -9.5 | -167.5 | 64.9 | 0 | 0 | 0 | 0 | 114.2 | R37 A43 | R37-T41 PolarHBondContact O-N 3.25Å; R37-T41 PolarHBondContact O-OG1 3.03Å; T41-A43 PolarHBondContact O-N 3.18Å; T41-A43 VanDerWaalsContact OG1-CB 3.32Å; T41-A43 WeakPolarHBondContact OG1-CB 3.34Å; T41-A43 PolarHBondContact OG1-N 2.94Å |
| 42 | G | 85.7 | Confident | 90.1 | Very high | 59 Ų | 59 | 72 Ų | 72 | 61% | 0.608 | 35% | 0.354 | S | S | * | . | trans | 66.4 | 7.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | K38 | K38-G42 VanDerWaalsContact O-CA 3.28Å; K38-G42 WeakPolarHBondContact O-CA 3.23Å; K38-G42 PolarHBondContact O-N 3.31Å | ||
| 43 | A | 87.1 | Confident | 90.1 | Very high | 15 Ų | 15 | 66.7 Ų | 66.7 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | trans | -64.2 | 144.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K38 T41 F45 Q127 | K38-A43 WeakPolarHBondContact CG-O 3.46Å; T41-A43 PolarHBondContact O-N 3.18Å; T41-A43 VanDerWaalsContact OG1-CB 3.32Å; T41-A43 WeakPolarHBondContact OG1-CB 3.34Å; T41-A43 PolarHBondContact OG1-N 2.94Å; A43-F45 HydrophobicContact CB-CE2 3.8Å; A43-F45 HydrophobicContact CB-CZ 4.26Å; A43-Q127 HydrophobicContact CB-CG 4.28Å | ||
| 44 | R | 87 | Confident | 89.9 | Confident | 164 Ų | 164 | 64.1 Ų | 64.1 | 62% | 0.619 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 138.3 | 174.9 | -62.1 | 175.8 | 69.2 | 167.3 | 2 | 109.2 | Y128 | R44-Y128 HydrophobicContact CB-CD2 4.33Å; R44-Y128 PolarHBondContact O-N 3.21Å |
| 45 | F | 88.8 | Confident | 89.6 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.4 | 177.5 | -66.5 | -95.4 | 0 | 0 | 0 | 110.6 | I34 R37 K38 A43 I125 Y126 Q127 | I34-F45 HydrophobicContact CG2-CB 3.86Å; I34-F45 HydrophobicContact CG2-CD1 4.45Å; I34-F45 HydrophobicContact CG2-CD2 3.9Å; I34-F45 HydrophobicContact CG2-CG 3.83Å; R37-F45 HydrophobicContact CB-CE2 3.96Å; R37-F45 HydrophobicContact CB-CZ 3.92Å; K38-F45 HydrophobicContact CD-CD2 4.22Å; K38-F45 HydrophobicContact CG-CD2 3.53Å; K38-F45 HydrophobicContact CG-CE2 3.94Å; A43-F45 HydrophobicContact CB-CE2 3.8Å; A43-F45 HydrophobicContact CB-CZ 4.26Å; F45-I125 HydrophobicContact CD1-CG2 4.03Å; F45-Y126 CarbonylContact C-O 3.59Å; F45-Y126 VanDerWaalsContact CA-O 3.23Å; F45-Y126 WeakPolarHBondContact CA-O 3.21Å; F45-Q127 HydrophobicContact CD1-CB 3.92Å; F45-Q127 HydrophobicContact CD1-CG 4.17Å; F45-Q127 HydrophobicContact CE1-CB 3.68Å; F45-Q127 HydrophobicContact CE1-CG 3.66Å; F45-Q127 HydrophobicContact CZ-CB 4.41Å; F45-Q127 HydrophobicContact CZ-CG 3.87Å |
| 46 | S | 87.6 | Confident | 89.2 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 16% | 0.161 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.9 | 165.2 | 175.9 | 0 | 0 | 0 | 0 | 108 | Y126 | S46-Y126 PolarHBondContact N-O 3.04Å; S46-Y126 PolarHBondContact O-N 3.49Å |
| 47 | V | 89.1 | Confident | 88.5 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 8% | 0.079 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.7 | 177 | -176 | 0 | 0 | 0 | 0 | 107.7 | F31 I34 L83 L123 H124 | F31-V47 HydrophobicContact CE1-CB 4.28Å; F31-V47 HydrophobicContact CE1-CG2 3.92Å; F31-V47 HydrophobicContact CZ-CB 4.23Å; F31-V47 HydrophobicContact CZ-CG1 4.01Å; F31-V47 HydrophobicContact CZ-CG2 4.25Å; I34-V47 HydrophobicContact CD1-CG2 3.72Å; V47-L83 HydrophobicContact CB-CD1 4.41Å; V47-L123 HydrophobicContact CG1-CB 4.34Å; V47-L123 HydrophobicContact CG1-CD2 4.35Å; V47-H124 CarbonylContact C-O 3.56Å; V47-H124 VanDerWaalsContact CA-O 3.31Å; V47-H124 WeakPolarHBondContact CA-O 3.23Å |
| 48 | R | 90.6 | Very high | 88.2 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 31% | 0.306 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 155.9 | 171.4 | -58.1 | -175.9 | -177.8 | -174.8 | -0.2 | 109.4 | L123 H124 Y126 | R48-L123 CarbonylContact O-C 3.49Å; R48-L123 WeakPolarHBondContact O-CA 3.02Å; R48-H124 HydrophobicContact CB-CB 4.25Å; R48-H124 PolarHBondContact N-O 2.81Å; R48-H124 PolarHBondContact O-N 3.39Å; R48-Y126 HydrophobicContact CB-CE2 4.49Å; R48-Y126 HydrophobicContact CG-CE2 4.12Å |
| 49 | I | 90.9 | Very high | 88 | Confident | 33 Ų | 33 | 70.9 Ų | 70.9 | 17% | 0.169 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 137.2 | -176.8 | -59 | 174.7 | 0 | 0 | 0 | 108.5 | L65 A91 F94 F121 T122 L123 | I49-L65 HydrophobicContact CG2-CD1 3.96Å; I49-A91 HydrophobicContact CD1-CB 3.6Å; I49-F94 HydrophobicContact CD1-CB 4.21Å; I49-F94 HydrophobicContact CD1-CD2 3.83Å; I49-F94 HydrophobicContact CD1-CG 4.36Å; I49-F94 HydrophobicContact CG2-CB 4.19Å; I49-F121 HydrophobicContact CG2-CD2 4.44Å; I49-F121 HydrophobicContact CG2-CE1 4.21Å; I49-F121 HydrophobicContact CG2-CE2 3.61Å; I49-F121 HydrophobicContact CG2-CZ 3.48Å; I49-F121 VanDerWaalsContact CG2-CZ 3.48Å; I49-T122 WeakPolarHBondContact CA-O 3.43Å; I49-L123 HydrophobicContact CG1-CG 4.41Å |
| 50 | S | 92.3 | Very high | 87.8 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 140.6 | 168.9 | 58.7 | 0 | 0 | 0 | 0 | 109 | T122 H124 | S50-T122 PolarHBondContact N-O 3.16Å; S50-T122 PolarHBondContact O-N 3.09Å; S50-H124 PolarHBondContact OG-NE2 2.75Å |
| 51 | A | 93.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L64 L65 A98 M119 L120 F121 | A51-L64 HydrophobicContact CB-CB 4.09Å; A51-L64 HydrophobicContact CB-CD1 4.31Å; A51-L64 PolarHBondContact O-N 3.25Å; A51-L65 HydrophobicContact CB-CD1 4.03Å; A51-L65 HydrophobicContact CB-CD2 4.34Å; A51-L65 HydrophobicContact CB-CG 3.85Å; A51-A98 HydrophobicContact CB-CB 3.58Å; A51-M119 HydrophobicContact CB-CE 4.43Å; A51-L120 VanDerWaalsContact CA-O 3.26Å; A51-L120 WeakPolarHBondContact CA-O 3.28Å; A51-F121 HydrophobicContact CB-CD2 3.71Å; A51-F121 HydrophobicContact CB-CE2 4.27Å |
| 52 | V | 92.9 | Very high | 87.7 | Confident | 48 Ų | 48 | 65.6 Ų | 65.6 | 29% | 0.291 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 139 | -177.1 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | L61 R62 L120 | V52-L61 HydrophobicContact CG1-CB 4.4Å; V52-L61 HydrophobicContact CG1-CD2 4.12Å; V52-R62 CarbonylContact C-O 3.51Å; V52-R62 WeakPolarHBondContact CA-O 3.18Å; V52-R62 WeakPolarHBondContact CG1-O 3.46Å; V52-L120 PolarHBondContact N-O 3.4Å; V52-L120 PolarHBondContact O-N 3.42Å |
| 53 | E | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129.4 | 168.2 | 180 | 170.4 | -125.8 | 0 | 0 | 109.5 | L61 R62 L64 R102 R103 S117 H118 | E53-L61 WeakPolarHBondContact O-CA 3.25Å; E53-R62 PolarHBondContact N-O 3.43Å; E53-R62 PolarHBondContact O-N 3Å; E53-L64 HydrophobicContact CB-CD1 4.01Å; E53-L64 HydrophobicContact CB-CD2 3.81Å; E53-L64 HydrophobicContact CB-CG 3.97Å; E53-R102 IonicContact OE1-NE 3.52Å; E53-R102 IonicContact OE1-NH2 3.89Å; E53-R103 PolarHBondContact OE1-N 3.42Å; E53-R103 WeakPolarHBondContact OE2-CB 3.36Å; E53-R103 PolarHBondContact OE2-N 3.5Å; E53-S117 PolarHBondContact OE1-OG 2.85Å; E53-H118 WeakPolarHBondContact CA-O 3.42Å |
| 54 | V | 90.3 | Very high | 88.3 | Confident | 34 Ų | 34 | 66 Ų | 66 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.3 | 168.6 | -167.1 | 0 | 0 | 0 | 0 | 107.4 | E59 N60 L61 S117 H118 L120 | V54-E59 HydrophobicContact CG1-CB 4.1Å; V54-N60 CarbonylContact C-O 3.56Å; V54-N60 VanDerWaalsContact CA-O 3.32Å; V54-N60 WeakPolarHBondContact CA-O 3.07Å; V54-L61 HydrophobicContact CB-CD2 4.15Å; V54-L61 HydrophobicContact CG1-CD2 4.01Å; V54-L61 HydrophobicContact CG2-CD2 3.52Å; V54-S117 CarbonylContact O-C 3.57Å; V54-S117 WeakPolarHBondContact O-CA 3.5Å; V54-H118 PolarHBondContact N-O 3.46Å; V54-H118 PolarHBondContact O-N 3.03Å; V54-L120 HydrophobicContact CG2-CD1 3.69Å |
| 55 | W | 84.6 | Confident | 88.4 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 161.4 | -179.3 | 67.6 | -85.5 | 0 | 0 | 0 | 113.4 | N60 R103 D113 | W55-N60 HydrophobicContact CD2-CB 4.19Å; W55-N60 HydrophobicContact CH2-CB 4.32Å; W55-N60 HydrophobicContact CZ2-CB 3.72Å; W55-N60 PolarHBondContact N-O 3.49Å; W55-N60 PolarHBondContact O-N 3Å; W55-R103 VanDerWaalsContact CD2-NH1 3.33Å; W55-D113 HydrophobicContact CE3-CB 3.89Å; W55-D113 HydrophobicContact CZ3-CB 4.28Å; W55-D113 WeakPolarHBondContact CZ3-OD2 3.43Å |
| 56 | G | 81.8 | Confident | 88.3 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 173.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E58 E59 D113 | G56-E58 VanDerWaalsContact C-N 3.26Å; G56-E58 PolarHBondContact O-N 3.48Å; G56-E59 PolarHBondContact O-N 3.34Å; G56-D113 VanDerWaalsContact CA-OD1 3.25Å; G56-D113 WeakPolarHBondContact CA-OD1 3.4Å |
| 57 | K | 78.1 | Confident | 88 | Confident | 176 Ų | 176 | 64.8 Ų | 64.8 | 77% | 0.765 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -23.2 | -177.9 | -66.6 | 176.3 | -176.9 | 167.6 | 0 | 113.4 | E59 | K57-E59 VanDerWaalsContact C-N 3.31Š|
| 58 | E | 82.4 | Confident | 87.6 | Confident | 164 Ų | 164 | 65.8 Ų | 65.8 | 77% | 0.766 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 8.4 | 178.6 | -61 | -176.2 | 160.4 | 0 | 0 | 112.7 | G56 N60 | G56-E58 VanDerWaalsContact C-N 3.26Å; G56-E58 PolarHBondContact O-N 3.48Å; E58-N60 VanDerWaalsContact C-N 3.29Å; E58-N60 PolarHBondContact O-N 3.21Å |
| 59 | E | 83.2 | Confident | 86.5 | Confident | 151 Ų | 151 | 64.4 Ų | 64.4 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 42.3 | 177.7 | -55.5 | -174.4 | 144.7 | 0 | 0 | 113.2 | V54 G56 K57 L61 | V54-E59 HydrophobicContact CG1-CB 4.1Å; G56-E59 PolarHBondContact O-N 3.34Å; K57-E59 VanDerWaalsContact C-N 3.31Å; E59-L61 PolarHBondContact O-N 2.59Å |
| 60 | N | 86.1 | Confident | 85 | Confident | 63 Ų | 63 | 67.5 Ų | 67.5 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 133.3 | 179.9 | -77.3 | -73.8 | 0 | 0 | 0 | 110.8 | V54 W55 E58 | V54-N60 CarbonylContact C-O 3.56Å; V54-N60 VanDerWaalsContact CA-O 3.32Å; V54-N60 WeakPolarHBondContact CA-O 3.07Å; W55-N60 HydrophobicContact CD2-CB 4.19Å; W55-N60 HydrophobicContact CH2-CB 4.32Å; W55-N60 HydrophobicContact CZ2-CB 3.72Å; W55-N60 PolarHBondContact N-O 3.49Å; W55-N60 PolarHBondContact O-N 3Å; E58-N60 VanDerWaalsContact C-N 3.29Å; E58-N60 PolarHBondContact O-N 3.21Å |
| 61 | L | 89.4 | Confident | 83 | Confident | 130 Ų | 130 | 68.8 Ų | 68.8 | 68% | 0.681 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 133.7 | -179.7 | -61.5 | 177.6 | 0 | 0 | 0 | 111.1 | V52 E53 V54 E59 | V52-L61 HydrophobicContact CG1-CB 4.4Å; V52-L61 HydrophobicContact CG1-CD2 4.12Å; E53-L61 WeakPolarHBondContact O-CA 3.25Å; V54-L61 HydrophobicContact CB-CD2 4.15Å; V54-L61 HydrophobicContact CG1-CD2 4.01Å; V54-L61 HydrophobicContact CG2-CD2 3.52Å; E59-L61 PolarHBondContact O-N 2.59Å |
| 62 | R | 89.9 | Confident | 80.9 | Confident | 80 Ų | 80 | 71.1 Ų | 71.1 | 30% | 0.302 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 128.1 | 172.9 | -177.6 | 178.5 | -178.6 | 178.4 | 1.9 | 110.3 | V52 E53 L64 | V52-R62 CarbonylContact C-O 3.51Å; V52-R62 WeakPolarHBondContact CA-O 3.18Å; V52-R62 WeakPolarHBondContact CG1-O 3.46Å; E53-R62 PolarHBondContact N-O 3.43Å; E53-R62 PolarHBondContact O-N 3Å; R62-L64 PolarHBondContact O-N 3.23Å |
| 63 | D | 91.8 | Very high | 78.6 | Confident | 81 Ų | 81 | 75.6 Ų | 75.6 | 43% | 0.433 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 122.8 | 167.5 | -173.6 | -7.7 | 0 | 0 | 0 | 109.2 | L65 S66 | D63-L65 PolarHBondContact OD1-N 3.09Å; D63-S66 PolarHBondContact OD1-N 3.45Å |
| 64 | L | 91.7 | Very high | 76.3 | Confident | 2 Ų | 2 | 84.5 Ų | 84.5 | 1% | 0.01 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -88.5 | -10.6 | -179.3 | -64.9 | 173 | 0 | 0 | 0 | 112.6 | A51 E53 R62 A98 S101 R102 M119 | A51-L64 HydrophobicContact CB-CB 4.09Å; A51-L64 HydrophobicContact CB-CD1 4.31Å; A51-L64 PolarHBondContact O-N 3.25Å; E53-L64 HydrophobicContact CB-CD1 4.01Å; E53-L64 HydrophobicContact CB-CD2 3.81Å; E53-L64 HydrophobicContact CB-CG 3.97Å; R62-L64 PolarHBondContact O-N 3.23Å; L64-A98 HydrophobicContact CB-CB 3.95Å; L64-A98 HydrophobicContact CD1-CB 4.24Å; L64-S101 WeakPolarHBondContact O-CB 3.32Å; L64-S101 PolarHBondContact O-OG 2.99Å; L64-R102 HydrophobicContact CD1-CG 4.32Å; L64-R102 HydrophobicContact CD2-CG 4.32Å; L64-M119 HydrophobicContact CD1-CE 4.35Å; L64-M119 HydrophobicContact CD1-CG 3.8Å; L64-M119 HydrophobicContact CD1-SD 4.05Å |
| 65 | L | 91.1 | Very high | 74 | Confident | 12 Ų | 12 | 89.9 Ų | 89.9 | 6% | 0.063 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -110 | 2.4 | -178.9 | -61 | -175.7 | 0 | 0 | 0 | 112.9 | I49 A51 D63 E67 V68 A69 F94 A98 | I49-L65 HydrophobicContact CG2-CD1 3.96Å; A51-L65 HydrophobicContact CB-CD1 4.03Å; A51-L65 HydrophobicContact CB-CD2 4.34Å; A51-L65 HydrophobicContact CB-CG 3.85Å; D63-L65 PolarHBondContact OD1-N 3.09Å; L65-E67 VanDerWaalsContact C-N 3.3Å; L65-E67 PolarHBondContact O-N 3.41Å; L65-V68 PolarHBondContact O-N 3.16Å; L65-V68 VanDerWaalsContact O-N 3.11Å; L65-A69 WeakPolarHBondContact O-CB 3.38Å; L65-A69 PolarHBondContact O-N 3.47Å; L65-F94 HydrophobicContact CD1-CD1 4.15Å; L65-F94 HydrophobicContact CD2-CB 4.4Å; L65-F94 HydrophobicContact CD2-CD1 4.01Å; L65-F94 WeakPolarHBondContact CD2-O 3.42Å; L65-A98 HydrophobicContact CD2-CB 3.85Å |
| 66 | S | 86.6 | Confident | 71.9 | Confident | 56 Ų | 56 | 90.9 Ų | 90.9 | 39% | 0.392 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.5 | -40.7 | -174.2 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | D63 T70 | D63-S66 PolarHBondContact OD1-N 3.45Å; S66-T70 PolarHBondContact O-N 3.35Å; S66-T70 PolarHBondContact O-OG1 3.05Å |
| 67 | E | 80.9 | Confident | 69.9 | Low | 139 Ų | 139 | 99.7 Ų | 99.7 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.3 | -34 | 179.9 | -62.4 | -173.3 | 153.7 | 0 | 0 | 112.4 | L65 T70 | L65-E67 VanDerWaalsContact C-N 3.3Å; L65-E67 PolarHBondContact O-N 3.41Å; E67-T70 PolarHBondContact O-OG1 3.11Å |
| 68 | V | 79.4 | Confident | 68.1 | Low | 34 Ų | 34 | 94.7 Ų | 94.7 | 21% | 0.206 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -76.4 | -35.1 | 179.6 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | L65 T70 G71 S72 F93 F94 A97 | L65-V68 PolarHBondContact O-N 3.16Å; L65-V68 VanDerWaalsContact O-N 3.11Å; V68-T70 VanDerWaalsContact C-N 3.29Å; V68-T70 PolarHBondContact O-N 3.29Å; V68-G71 PolarHBondContact O-N 3.32Å; V68-S72 PolarHBondContact O-N 3Å; V68-F93 HydrophobicContact CG1-CE1 3.71Å; V68-F93 HydrophobicContact CG1-CZ 4.36Å; V68-F94 HydrophobicContact CB-CE1 4.31Å; V68-F94 HydrophobicContact CG1-CD1 3.99Å; V68-F94 HydrophobicContact CG1-CE1 3.52Å; V68-F94 HydrophobicContact CG1-CZ 4.48Å; V68-A97 HydrophobicContact CG2-CB 3.61Å |
| 69 | A | 69 | Low | 66.2 | Low | 53 Ų | 53 | 93.1 Ų | 93.1 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L65 G71 S72 | L65-A69 WeakPolarHBondContact O-CB 3.38Å; L65-A69 PolarHBondContact O-N 3.47Å; A69-G71 VanDerWaalsContact C-N 3.33Å; A69-G71 PolarHBondContact O-N 2.87Å; A69-S72 PolarHBondContact O-N 2.85Å |
| 70 | T | 59.2 | Low | 64.6 | Low | 97 Ų | 97 | 86.6 Ų | 86.6 | 60% | 0.595 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.6 | -26.5 | 176.5 | 40.7 | 0 | 0 | 0 | 0 | 114 | S66 E67 V68 | S66-T70 PolarHBondContact O-N 3.35Å; S66-T70 PolarHBondContact O-OG1 3.05Å; E67-T70 PolarHBondContact O-OG1 3.11Å; V68-T70 VanDerWaalsContact C-N 3.29Å; V68-T70 PolarHBondContact O-N 3.29Å |
| 71 | G | 50.6 | Low | 62.9 | Low | 68 Ų | 68 | 85.5 Ų | 85.5 | 70% | 0.701 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -81.2 | -18 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V68 A69 L73 | V68-G71 PolarHBondContact O-N 3.32Å; A69-G71 VanDerWaalsContact C-N 3.33Å; A69-G71 PolarHBondContact O-N 2.87Å; G71-L73 VanDerWaalsContact C-N 3.34Å; G71-L73 PolarHBondContact O-N 3.39Å |
| 72 | S | 49.4 | Very low | 61 | Low | 50 Ų | 50 | 87.1 Ų | 87.1 | 35% | 0.35 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 12.6 | -177.3 | -170.2 | 0 | 0 | 0 | 0 | 114 | V68 A69 Q74 | V68-S72 PolarHBondContact O-N 3Å; A69-S72 PolarHBondContact O-N 2.85Å; S72-Q74 PolarHBondContact O-N 3.34Å |
| 73 | L | 44.5 | Very low | 59.2 | Low | 141 Ų | 141 | 85.4 Ų | 85.4 | 74% | 0.738 | 50% | 0.497 | S | S | * | . | trans | -71.4 | 58.3 | 174.9 | -98.6 | 148.6 | 0 | 0 | 0 | 111.8 | G71 | G71-L73 VanDerWaalsContact C-N 3.34Å; G71-L73 PolarHBondContact O-N 3.39Å | ||
| 74 | Q | 42.7 | Very low | 57.3 | Low | 188 Ų | 188 | 87.5 Ų | 87.5 | 88% | 0.879 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -126.3 | 55.4 | 158.9 | -80 | -173.9 | 62.4 | 0 | 0 | 108.5 | S72 | S72-Q74 PolarHBondContact O-N 3.34Š|
| 75 | D | 41 | Very low | 55.5 | Low | 147 Ų | 147 | 94.9 Ų | 94.9 | 79% | 0.786 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -172 | 133.2 | 136.6 | -133.1 | 34.1 | 0 | 0 | 0 | 108.7 | ||
| 76 | G | 41.8 | Very low | 54.5 | Low | 66 Ų | 66 | 100 Ų | 100 | 68% | 0.68 | 58% | 0.579 | S | S | * | * | trans | -61.6 | 144.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 77 | Q | 39.8 | Very low | 54.1 | Low | 195 Ų | 195 | 99.7 Ų | 99.7 | 91% | 0.911 | 58% | 0.576 | S | S | * | * | S | Bend | trans | 55.9 | 70.5 | 158.8 | -70.2 | -179.8 | -85.1 | 0 | 0 | 117.8 | ||
| 78 | S | 39.4 | Very low | 54.3 | Low | 71 Ų | 71 | 94.6 Ų | 94.6 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | trans | -174.8 | 143.8 | 134.1 | -82.1 | 0 | 0 | 0 | 0 | 109.2 | G80 | S78-G80 PolarHBondContact O-N 3.48Š| ||
| 79 | P | 43.3 | Very low | 54.6 | Low | 131 Ų | 131 | 99.3 Ų | 99.3 | 85% | 0.851 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -73 | 68.4 | 174.2 | 31.1 | -32.9 | 0 | 0 | 0 | 109.9 | ||
| 80 | G | 49.2 | Very low | 55.4 | Low | 15 Ų | 15 | 99 Ų | 99 | 16% | 0.155 | 57% | 0.566 | C | S | . | * | trans | -155.5 | 112 | -178.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | S78 Y82 | S78-G80 PolarHBondContact O-N 3.48Å; G80-Y82 WeakPolarHBondContact O-CD2 3.47Å; G80-Y82 PolarHBondContact O-N 3.33Å | ||
| 81 | V | 49.9 | Very low | 56.8 | Low | 40 Ų | 40 | 94.4 Ų | 94.4 | 24% | 0.242 | 54% | 0.538 | C | S | . | . | trans | -72 | 117.1 | 177 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | L83 F94 | V81-L83 HydrophobicContact CG1-CD2 4.47Å; V81-F94 HydrophobicContact CB-CE2 4.38Å; V81-F94 HydrophobicContact CB-CZ 4.16Å; V81-F94 HydrophobicContact CG1-CE2 4Å; V81-F94 HydrophobicContact CG1-CZ 3.86Å; V81-F94 HydrophobicContact CG2-CZ 3.89Å | ||
| 82 | Y | 49.1 | Very low | 58.6 | Low | 163 Ų | 163 | 92.8 Ų | 92.8 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | trans | -77.7 | 128.3 | 171 | -70.7 | -92.8 | 0 | 0 | 0 | 109.5 | G80 C84 K90 | G80-Y82 WeakPolarHBondContact O-CD2 3.47Å; G80-Y82 PolarHBondContact O-N 3.33Å; Y82-C84 PolarHBondContact O-N 3.31Å; Y82-K90 PolarHBondContact O-NZ 3.45Å | ||
| 83 | L | 53.3 | Low | 60.5 | Low | 44 Ų | 44 | 96 Ų | 96 | 23% | 0.23 | 53% | 0.525 | C | S | . | . | trans | -91.2 | 98.4 | -178.1 | -48.5 | 172.6 | 0 | 0 | 0 | 108.7 | F31 V47 V81 P87 K90 F94 | F31-L83 HydrophobicContact CE1-CD1 4.13Å; F31-L83 HydrophobicContact CZ-CD1 3.92Å; V47-L83 HydrophobicContact CB-CD1 4.41Å; V81-L83 HydrophobicContact CG1-CD2 4.47Å; L83-P87 HydrophobicContact CB-CB 3.77Å; L83-P87 HydrophobicContact CD1-CB 3.61Å; L83-P87 HydrophobicContact CG-CB 4.33Å; L83-K90 HydrophobicContact CB-CD 4.25Å; L83-K90 HydrophobicContact CD2-CB 3.83Å; L83-K90 HydrophobicContact CD2-CD 3.36Å; L83-K90 HydrophobicContact CD2-CG 3.44Å; L83-K90 VanDerWaalsContact CD2-CG 3.44Å; L83-K90 HydrophobicContact CG-CD 4.39Å; L83-F94 HydrophobicContact CD2-CE2 4.44Å | ||
| 84 | C | 51.9 | Low | 62.7 | Low | 126 Ų | 126 | 89.8 Ų | 89.8 | 85% | 0.851 | 49% | 0.492 | S | S | * | . | trans | -100.4 | -16.1 | 179.5 | -166.1 | 0 | 0 | 0 | 0 | 113.4 | Y82 | Y82-C84 PolarHBondContact O-N 3.31Š| ||
| 85 | E | 52.8 | Low | 65 | Low | 157 Ų | 157 | 81 Ų | 81 | 73% | 0.734 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -106.6 | 152 | 169.2 | -61.4 | -176.3 | 139.8 | 0 | 0 | 107.3 | ||
| 86 | D | 71.3 | Confident | 67.3 | Low | 119 Ų | 119 | 78.7 Ų | 78.7 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | trans | -29.4 | 110.3 | -165.5 | -92.7 | -56.8 | 0 | 0 | 0 | 112.9 | A88 E89 K90 | D86-A88 PolarHBondContact O-N 2.95Å; D86-E89 HydrophobicContact CB-CB 4.07Å; D86-E89 WeakPolarHBondContact O-CA 3.45Å; D86-E89 WeakPolarHBondContact O-CB 3.24Å; D86-E89 PolarHBondContact O-N 2.94Å; D86-K90 PolarHBondContact O-N 2.86Å | ||
| 87 | P | 77.8 | Confident | 69.6 | Low | 50 Ų | 50 | 76.3 Ų | 76.3 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.7 | -20.5 | -161 | 26.2 | -36.4 | 0 | 0 | 0 | 113 | F31 L83 A91 | F31-P87 HydrophobicContact CD1-CB 3.78Å; F31-P87 HydrophobicContact CD1-CG 3.79Å; F31-P87 HydrophobicContact CE1-CB 3.52Å; F31-P87 HydrophobicContact CE1-CG 4.06Å; F31-P87 WeakPolarHBondContact CE2-O 3.28Å; F31-P87 HydrophobicContact CZ-CB 4.13Å; F31-P87 VanDerWaalsContact CZ-O 3.27Å; F31-P87 WeakPolarHBondContact CZ-O 3.44Å; L83-P87 HydrophobicContact CB-CB 3.77Å; L83-P87 HydrophobicContact CD1-CB 3.61Å; L83-P87 HydrophobicContact CG-CB 4.33Å; P87-A91 WeakPolarHBondContact O-CB 3.5Å; P87-A91 PolarHBondContact O-N 2.99Å |
| 88 | A | 85.8 | Confident | 72 | Confident | 31 Ų | 31 | 67 Ų | 67 | 26% | 0.256 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.9 | -43.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F31 D86 A91 A92 | F31-A88 HydrophobicContact CB-CB 3.96Å; F31-A88 VanDerWaalsContact CD2-CA 3.47Å; F31-A88 HydrophobicContact CD2-CB 3.78Å; F31-A88 HydrophobicContact CG-CB 4.02Å; D86-A88 PolarHBondContact O-N 2.95Å; A88-A91 PolarHBondContact O-N 3.15Å; A88-A92 PolarHBondContact O-N 3.38Å |
| 89 | E | 84.8 | Confident | 74.4 | Confident | 133 Ų | 133 | 65.6 Ų | 65.6 | 62% | 0.621 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 178.1 | -176 | 175 | -161.1 | 0 | 0 | 110.6 | D86 A91 A92 F93 | D86-E89 HydrophobicContact CB-CB 4.07Å; D86-E89 WeakPolarHBondContact O-CA 3.45Å; D86-E89 WeakPolarHBondContact O-CB 3.24Å; D86-E89 PolarHBondContact O-N 2.94Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 2.85Å; E89-A92 WeakPolarHBondContact O-CB 3.3Å; E89-A92 PolarHBondContact O-N 3.02Å; E89-A92 VanDerWaalsContact O-N 3.11Å; E89-F93 PolarHBondContact O-N 3.39Å |
| 90 | K | 85.8 | Confident | 76.5 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 176.5 | -170.8 | 163.1 | 173.1 | 176.8 | 0 | 112.5 | Y82 L83 D86 F93 F94 | Y82-K90 PolarHBondContact O-NZ 3.45Å; L83-K90 HydrophobicContact CB-CD 4.25Å; L83-K90 HydrophobicContact CD2-CB 3.83Å; L83-K90 HydrophobicContact CD2-CD 3.36Å; L83-K90 HydrophobicContact CD2-CG 3.44Å; L83-K90 VanDerWaalsContact CD2-CG 3.44Å; L83-K90 HydrophobicContact CG-CD 4.39Å; D86-K90 PolarHBondContact O-N 2.86Å; K90-F93 PolarHBondContact O-N 2.96Å; K90-F94 HydrophobicContact CG-CD2 4.25Å; K90-F94 HydrophobicContact CG-CE2 3.84Å; K90-F94 WeakPolarHBondContact O-CD2 3.36Å; K90-F94 PolarHBondContact O-N 2.97Å; K90-F94 VanDerWaalsContact O-N 3.16Å |
| 91 | A | 89.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.9 | -36.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I27 F31 I49 P87 A88 E89 F94 L95 | I27-A91 HydrophobicContact CD1-CB 4.42Å; I27-A91 HydrophobicContact CG2-CB 3.68Å; F31-A91 HydrophobicContact CE2-CB 3.66Å; F31-A91 HydrophobicContact CZ-CB 4.23Å; I49-A91 HydrophobicContact CD1-CB 3.6Å; P87-A91 WeakPolarHBondContact O-CB 3.5Å; P87-A91 PolarHBondContact O-N 2.99Å; A88-A91 PolarHBondContact O-N 3.15Å; E89-A91 VanDerWaalsContact C-N 3.29Å; E89-A91 PolarHBondContact O-N 2.85Å; A91-F94 PolarHBondContact O-N 3.27Å; A91-L95 PolarHBondContact O-N 2.92Å; A91-L95 VanDerWaalsContact O-N 3.09Å |
| 92 | A | 88.8 | Confident | 79.7 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A88 E89 F94 L95 D96 | A88-A92 PolarHBondContact O-N 3.38Å; E89-A92 WeakPolarHBondContact O-CB 3.3Å; E89-A92 PolarHBondContact O-N 3.02Å; E89-A92 VanDerWaalsContact O-N 3.11Å; A92-F94 VanDerWaalsContact C-N 3.32Å; A92-F94 PolarHBondContact O-N 3.4Å; A92-L95 WeakPolarHBondContact O-CA 3.29Å; A92-L95 VanDerWaalsContact O-CB 3.28Å; A92-L95 WeakPolarHBondContact O-CB 3.34Å; A92-L95 PolarHBondContact O-N 3.2Å; A92-D96 PolarHBondContact O-N 3.08Å |
| 93 | F | 88.6 | Confident | 80.7 | Confident | 117 Ų | 117 | 58.1 Ų | 58.1 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -55.4 | -44.7 | 173.6 | 172 | -95.1 | 0 | 0 | 0 | 112.7 | V68 E89 K90 L95 D96 A97 | V68-F93 HydrophobicContact CG1-CE1 3.71Å; V68-F93 HydrophobicContact CG1-CZ 4.36Å; E89-F93 PolarHBondContact O-N 3.39Å; K90-F93 PolarHBondContact O-N 2.96Å; F93-L95 VanDerWaalsContact C-N 3.31Å; F93-L95 PolarHBondContact O-N 3.39Å; F93-D96 PolarHBondContact O-N 3.5Å; F93-A97 WeakPolarHBondContact O-CB 3.46Å; F93-A97 PolarHBondContact O-N 3.06Å |
| 94 | F | 90.3 | Very high | 81.2 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66 | -32.9 | 175.5 | -77.2 | -64.3 | 0 | 0 | 0 | 113 | I49 L65 V68 V81 L83 K90 A91 A92 A98 F121 | I49-F94 HydrophobicContact CD1-CB 4.21Å; I49-F94 HydrophobicContact CD1-CD2 3.83Å; I49-F94 HydrophobicContact CD1-CG 4.36Å; I49-F94 HydrophobicContact CG2-CB 4.19Å; L65-F94 HydrophobicContact CD1-CD1 4.15Å; L65-F94 HydrophobicContact CD2-CB 4.4Å; L65-F94 HydrophobicContact CD2-CD1 4.01Å; L65-F94 WeakPolarHBondContact CD2-O 3.42Å; V68-F94 HydrophobicContact CB-CE1 4.31Å; V68-F94 HydrophobicContact CG1-CD1 3.99Å; V68-F94 HydrophobicContact CG1-CE1 3.52Å; V68-F94 HydrophobicContact CG1-CZ 4.48Å; V81-F94 HydrophobicContact CB-CE2 4.38Å; V81-F94 HydrophobicContact CB-CZ 4.16Å; V81-F94 HydrophobicContact CG1-CE2 4Å; V81-F94 HydrophobicContact CG1-CZ 3.86Å; V81-F94 HydrophobicContact CG2-CZ 3.89Å; L83-F94 HydrophobicContact CD2-CE2 4.44Å; K90-F94 HydrophobicContact CG-CD2 4.25Å; K90-F94 HydrophobicContact CG-CE2 3.84Å; K90-F94 WeakPolarHBondContact O-CD2 3.36Å; K90-F94 PolarHBondContact O-N 2.97Å; K90-F94 VanDerWaalsContact O-N 3.16Å; A91-F94 PolarHBondContact O-N 3.27Å; A92-F94 VanDerWaalsContact C-N 3.32Å; A92-F94 PolarHBondContact O-N 3.4Å; F94-A98 VanDerWaalsContact O-CB 3.32Å; F94-A98 WeakPolarHBondContact O-CB 3.42Å; F94-A98 PolarHBondContact O-N 2.73Å; F94-F121 HydrophobicContact CB-CE2 4.49Å |
| 95 | L | 91 | Very high | 81.7 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.7 | -48.1 | 173.6 | 178.2 | 63.3 | 0 | 0 | 0 | 110.6 | I23 I27 A91 A92 F93 A97 A98 I99 M119 F121 | I23-L95 HydrophobicContact CB-CD2 4.15Å; I23-L95 HydrophobicContact CD1-CD1 4.44Å; I23-L95 HydrophobicContact CG2-CD1 3.9Å; I23-L95 HydrophobicContact CG2-CD2 3.58Å; I23-L95 HydrophobicContact CG2-CG 4.37Å; I27-L95 HydrophobicContact CD1-CD2 4.24Å; A91-L95 PolarHBondContact O-N 2.92Å; A91-L95 VanDerWaalsContact O-N 3.09Å; A92-L95 WeakPolarHBondContact O-CA 3.29Å; A92-L95 VanDerWaalsContact O-CB 3.28Å; A92-L95 WeakPolarHBondContact O-CB 3.34Å; A92-L95 PolarHBondContact O-N 3.2Å; F93-L95 VanDerWaalsContact C-N 3.31Å; F93-L95 PolarHBondContact O-N 3.39Å; L95-A97 PolarHBondContact O-N 2.82Å; L95-A98 PolarHBondContact O-N 3.34Å; L95-I99 HydrophobicContact CD1-CD1 4.01Å; L95-I99 HydrophobicContact CD1-CG1 4.36Å; L95-I99 HydrophobicContact CG-CD1 3.8Å; L95-I99 WeakPolarHBondContact O-CD1 3.43Å; L95-I99 VanDerWaalsContact O-CG1 3.24Å; L95-I99 WeakPolarHBondContact O-CG1 3.03Å; L95-I99 PolarHBondContact O-N 2.8Å; L95-M119 HydrophobicContact CD1-CE 4.02Å; L95-F121 HydrophobicContact CB-CE1 4.44Å; L95-F121 HydrophobicContact CB-CE2 4.06Å; L95-F121 HydrophobicContact CB-CZ 3.89Å; L95-F121 HydrophobicContact CD1-CD1 4.29Å; L95-F121 HydrophobicContact CD1-CD2 3.96Å; L95-F121 HydrophobicContact CD1-CE1 4.42Å; L95-F121 HydrophobicContact CD1-CE2 4.13Å; L95-F121 HydrophobicContact CD1-CG 4.05Å; L95-F121 HydrophobicContact CD1-CZ 4.35Å |
| 96 | D | 89.6 | Confident | 82.2 | Confident | 98 Ų | 98 | 54.9 Ų | 54.9 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 179.4 | -64.6 | -31.3 | 0 | 0 | 0 | 111.5 | A92 F93 A98 I99 A100 | A92-D96 PolarHBondContact O-N 3.08Å; F93-D96 PolarHBondContact O-N 3.5Å; D96-A98 VanDerWaalsContact C-N 3.33Å; D96-A98 PolarHBondContact O-N 3.11Å; D96-I99 PolarHBondContact O-N 3.3Å; D96-A100 WeakPolarHBondContact O-CB 3.37Å; D96-A100 PolarHBondContact O-N 2.85Å |
| 97 | A | 90.1 | Very high | 81.4 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V68 F93 L95 A100 S101 | V68-A97 HydrophobicContact CG2-CB 3.61Å; F93-A97 WeakPolarHBondContact O-CB 3.46Å; F93-A97 PolarHBondContact O-N 3.06Å; L95-A97 PolarHBondContact O-N 2.82Å; A97-A100 PolarHBondContact O-N 3.08Å; A97-S101 WeakPolarHBondContact O-CB 3.46Å; A97-S101 PolarHBondContact O-N 3.04Å; A97-S101 VanDerWaalsContact O-N 3.07Å; A97-S101 PolarHBondContact O-OG 3.44Å |
| 98 | A | 90.9 | Very high | 80.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A51 L64 L65 F94 L95 D96 S101 R102 M119 | A51-A98 HydrophobicContact CB-CB 3.58Å; L64-A98 HydrophobicContact CB-CB 3.95Å; L64-A98 HydrophobicContact CD1-CB 4.24Å; L65-A98 HydrophobicContact CD2-CB 3.85Å; F94-A98 VanDerWaalsContact O-CB 3.32Å; F94-A98 WeakPolarHBondContact O-CB 3.42Å; F94-A98 PolarHBondContact O-N 2.73Å; L95-A98 PolarHBondContact O-N 3.34Å; D96-A98 VanDerWaalsContact C-N 3.33Å; D96-A98 PolarHBondContact O-N 3.11Å; A98-S101 PolarHBondContact O-N 3.08Å; A98-R102 WeakPolarHBondContact O-CG 3.07Å; A98-R102 PolarHBondContact O-N 3.27Å; A98-M119 HydrophobicContact CB-CE 3.52Å |
| 99 | I | 88.3 | Confident | 79.1 | Confident | 41 Ų | 41 | 63.5 Ų | 63.5 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.1 | -67.8 | 161.2 | 0 | 0 | 0 | 110.5 | I11 L95 D96 S101 R102 M119 | I11-I99 HydrophobicContact CB-CD1 4.37Å; I11-I99 HydrophobicContact CD1-CD1 3.74Å; I11-I99 HydrophobicContact CD1-CG1 3.82Å; I11-I99 HydrophobicContact CG1-CD1 3.92Å; I11-I99 HydrophobicContact CG1-CG1 4.44Å; I11-I99 HydrophobicContact CG2-CD1 3.53Å; L95-I99 HydrophobicContact CD1-CD1 4.01Å; L95-I99 HydrophobicContact CD1-CG1 4.36Å; L95-I99 HydrophobicContact CG-CD1 3.8Å; L95-I99 WeakPolarHBondContact O-CD1 3.43Å; L95-I99 VanDerWaalsContact O-CG1 3.24Å; L95-I99 WeakPolarHBondContact O-CG1 3.03Å; L95-I99 PolarHBondContact O-N 2.8Å; D96-I99 PolarHBondContact O-N 3.3Å; I99-S101 VanDerWaalsContact C-N 3.26Å; I99-S101 PolarHBondContact O-N 3.44Å; I99-R102 WeakPolarHBondContact O-CB 3.35Å; I99-R102 PolarHBondContact O-N 3.39Å; I99-M119 HydrophobicContact CG1-CE 4.37Å; I99-M119 HydrophobicContact CG1-SD 4.43Å |
| 100 | A | 87.6 | Confident | 78.1 | Confident | 63 Ų | 63 | 63 Ų | 63 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.6 | -34.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D96 A97 R102 | D96-A100 WeakPolarHBondContact O-CB 3.37Å; D96-A100 PolarHBondContact O-N 2.85Å; A97-A100 PolarHBondContact O-N 3.08Å; A100-R102 VanDerWaalsContact C-N 3.3Å; A100-R102 PolarHBondContact O-N 3.38Å |
| 101 | S | 86.2 | Confident | 77.1 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -6.6 | -178.9 | -58.3 | 0 | 0 | 0 | 0 | 114.4 | L64 A97 A98 I99 | L64-S101 WeakPolarHBondContact O-CB 3.32Å; L64-S101 PolarHBondContact O-OG 2.99Å; A97-S101 WeakPolarHBondContact O-CB 3.46Å; A97-S101 PolarHBondContact O-N 3.04Å; A97-S101 VanDerWaalsContact O-N 3.07Å; A97-S101 PolarHBondContact O-OG 3.44Å; A98-S101 PolarHBondContact O-N 3.08Å; I99-S101 VanDerWaalsContact C-N 3.26Å; I99-S101 PolarHBondContact O-N 3.44Å |
| 102 | R | 81.1 | Confident | 75.8 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 13% | 0.132 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -62.8 | 140 | -179.3 | -72.1 | -170.5 | 67.8 | -138.7 | 0.6 | 111.6 | E53 L64 A98 I99 A100 S104 N105 S117 M119 | E53-R102 IonicContact OE1-NE 3.52Å; E53-R102 IonicContact OE1-NH2 3.89Å; L64-R102 HydrophobicContact CD1-CG 4.32Å; L64-R102 HydrophobicContact CD2-CG 4.32Å; A98-R102 WeakPolarHBondContact O-CG 3.07Å; A98-R102 PolarHBondContact O-N 3.27Å; I99-R102 WeakPolarHBondContact O-CB 3.35Å; I99-R102 PolarHBondContact O-N 3.39Å; A100-R102 VanDerWaalsContact C-N 3.3Å; A100-R102 PolarHBondContact O-N 3.38Å; R102-S104 PolarHBondContact NH1-OG 3.25Å; R102-S104 VanDerWaalsContact NH1-OG 3.13Å; R102-S104 PolarHBondContact O-N 3.07Å; R102-S104 VanDerWaalsContact O-N 3.08Å; R102-N105 PolarHBondContact O-N 3.46Å; R102-S117 PolarHBondContact NH2-OG 3.37Å; R102-M119 HydrophobicContact CG-SD 4.32Å |
| 103 | R | 69.4 | Low | 74.6 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -57.1 | -25.6 | 172.7 | -89.8 | -172.8 | 129.4 | -152.9 | -0.7 | 113.4 | E53 W55 N105 Q106 C109 | E53-R103 PolarHBondContact OE1-N 3.42Å; E53-R103 WeakPolarHBondContact OE2-CB 3.36Å; E53-R103 PolarHBondContact OE2-N 3.5Å; W55-R103 VanDerWaalsContact CD2-NH1 3.33Å; R103-N105 PolarHBondContact O-N 2.89Å; R103-N105 VanDerWaalsContact O-N 3.08Å; R103-Q106 WeakPolarHBondContact O-CB 3.39Å; R103-Q106 PolarHBondContact O-N 2.92Å; R103-C109 PolarHBondContact O-SG 2.96Å |
| 104 | S | 64.9 | Low | 73.5 | Confident | 33 Ų | 33 | 71.6 Ų | 71.6 | 23% | 0.231 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -60.3 | -21.4 | 177.6 | 65.1 | 0 | 0 | 0 | 0 | 114.2 | R102 H114 | R102-S104 PolarHBondContact NH1-OG 3.25Å; R102-S104 VanDerWaalsContact NH1-OG 3.13Å; R102-S104 PolarHBondContact O-N 3.07Å; R102-S104 VanDerWaalsContact O-N 3.08Å; S104-H114 WeakPolarHBondContact CA-CE1 3.49Å; S104-H114 WeakPolarHBondContact CA-NE2 3.12Å; S104-H114 WeakPolarHBondContact CB-NE2 3.47Å; S104-H114 PolarHBondContact O-CE1 3.34Å; S104-H114 PolarHBondContact O-NE2 2.85Å |
| 105 | N | 61.8 | Low | 72.4 | Confident | 126 Ų | 126 | 78.7 Ų | 78.7 | 67% | 0.674 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -88.6 | -5.8 | 174.4 | -98.9 | 12 | 0 | 0 | 0 | 113.6 | R102 R103 | R102-N105 PolarHBondContact O-N 3.46Å; R103-N105 PolarHBondContact O-N 2.89Å; R103-N105 VanDerWaalsContact O-N 3.08Å |
| 106 | Q | 62.7 | Low | 71.5 | Confident | 100 Ų | 100 | 82.3 Ų | 82.3 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -96.9 | 128.2 | -173.4 | -150 | 171.1 | -11.6 | 0 | 0 | 110 | R103 D108 | R103-Q106 WeakPolarHBondContact O-CB 3.39Å; R103-Q106 PolarHBondContact O-N 2.92Å; Q106-D108 PolarHBondContact O-N 3.48Å; Q106-D108 VanDerWaalsContact O-N 3.09Å |
| 107 | Q | 55.6 | Low | 71.1 | Confident | 200 Ų | 200 | 78.4 Ų | 78.4 | 94% | 0.935 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -9.8 | -165.2 | -124.3 | 159.9 | -4.1 | 0 | 0 | 115.8 | ||
| 108 | D | 58.6 | Low | 71 | Confident | 157 Ų | 157 | 83.3 Ų | 83.3 | 84% | 0.84 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | 19.7 | -172.5 | -84.4 | -30.8 | 0 | 0 | 0 | 114.6 | Q106 | Q106-D108 PolarHBondContact O-N 3.48Å; Q106-D108 VanDerWaalsContact O-N 3.09Å |
| 109 | C | 56.3 | Low | 71 | Confident | 24 Ų | 24 | 85.7 Ų | 85.7 | 16% | 0.162 | 43% | 0.432 | C | S | . | . | trans | -92.2 | 127.7 | -176.8 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | R103 E111 H114 | R103-C109 PolarHBondContact O-SG 2.96Å; C109-E111 PolarHBondContact O-N 3.33Å; C109-H114 WeakPolarHBondContact CB-ND1 3.45Å | ||
| 110 | D | 64.1 | Low | 71.1 | Confident | 121 Ų | 121 | 88.1 Ų | 88.1 | 65% | 0.647 | 45% | 0.445 | S | S | * | . | trans | -53.4 | 135.4 | 170.1 | -75 | -37.7 | 0 | 0 | 0 | 110.9 | D112 D113 H114 | D110-D112 PolarHBondContact O-N 3.1Å; D110-D112 VanDerWaalsContact O-N 3.09Å; D110-D113 PolarHBondContact O-N 3.48Å; D110-H114 PolarHBondContact O-N 3.13Å; D110-H114 VanDerWaalsContact O-N 3.1Å | ||
| 111 | E | 63.4 | Low | 71.4 | Confident | 164 Ų | 164 | 86.8 Ų | 86.8 | 77% | 0.766 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -58.2 | -28.4 | -174.2 | -64.7 | -166.5 | 140.2 | 0 | 0 | 113.2 | C109 H114 R115 | C109-E111 PolarHBondContact O-N 3.33Å; E111-H114 WeakPolarHBondContact O-CB 3.23Å; E111-R115 PolarHBondContact O-N 3.45Å |
| 112 | D | 61.9 | Low | 71.8 | Confident | 104 Ų | 104 | 88.2 Ų | 88.2 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -73.5 | -40 | 177.3 | -81.6 | -28.3 | 0 | 0 | 0 | 112.5 | D110 H114 R115 N116 | D110-D112 PolarHBondContact O-N 3.1Å; D110-D112 VanDerWaalsContact O-N 3.09Å; D112-H114 VanDerWaalsContact C-N 3.28Å; D112-H114 PolarHBondContact O-N 3.05Å; D112-R115 PolarHBondContact O-N 3.09Å; D112-N116 PolarHBondContact O-N 2.98Å |
| 113 | D | 64.5 | Low | 72.3 | Confident | 37 Ų | 37 | 88.6 Ų | 88.6 | 20% | 0.198 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68.8 | -33 | 175.9 | -77.3 | -19.3 | 0 | 0 | 0 | 111.3 | W55 G56 D110 R115 N116 S117 | W55-D113 HydrophobicContact CE3-CB 3.89Å; W55-D113 HydrophobicContact CZ3-CB 4.28Å; W55-D113 WeakPolarHBondContact CZ3-OD2 3.43Å; G56-D113 VanDerWaalsContact CA-OD1 3.25Å; G56-D113 WeakPolarHBondContact CA-OD1 3.4Å; D110-D113 PolarHBondContact O-N 3.48Å; D113-R115 VanDerWaalsContact C-N 3.32Å; D113-R115 PolarHBondContact O-N 3.02Å; D113-N116 PolarHBondContact O-N 3.11Å; D113-S117 PolarHBondContact O-N 3.24Å |
| 114 | H | 65.5 | Low | 73.4 | Confident | 75 Ų | 75 | 88.7 Ų | 88.7 | 35% | 0.347 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63 | -36.9 | 175.4 | -130.4 | 101.2 | 0 | 0 | 0 | 112.8 | S104 C109 D110 E111 D112 | S104-H114 WeakPolarHBondContact CA-CE1 3.49Å; S104-H114 WeakPolarHBondContact CA-NE2 3.12Å; S104-H114 WeakPolarHBondContact CB-NE2 3.47Å; S104-H114 PolarHBondContact O-CE1 3.34Å; S104-H114 PolarHBondContact O-NE2 2.85Å; C109-H114 WeakPolarHBondContact CB-ND1 3.45Å; D110-H114 PolarHBondContact O-N 3.13Å; D110-H114 VanDerWaalsContact O-N 3.1Å; E111-H114 WeakPolarHBondContact O-CB 3.23Å; D112-H114 VanDerWaalsContact C-N 3.28Å; D112-H114 PolarHBondContact O-N 3.05Å |
| 115 | R | 66.3 | Low | 74.7 | Confident | 159 Ų | 159 | 91 Ų | 91 | 60% | 0.6 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -76.5 | -23.1 | 179.6 | -80.5 | -174.7 | 178.6 | 169.1 | 11.8 | 113.7 | E111 D112 D113 | E111-R115 PolarHBondContact O-N 3.45Å; D112-R115 PolarHBondContact O-N 3.09Å; D113-R115 VanDerWaalsContact C-N 3.32Å; D113-R115 PolarHBondContact O-N 3.02Å |
| 116 | N | 73.2 | Confident | 76.1 | Confident | 81 Ų | 81 | 89.7 Ų | 89.7 | 43% | 0.433 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 23.4 | -178.2 | -70.1 | -12.9 | 0 | 0 | 0 | 112.9 | D112 D113 | D112-N116 PolarHBondContact O-N 2.98Å; D113-N116 PolarHBondContact O-N 3.11Å |
| 117 | S | 80.9 | Confident | 77.4 | Confident | 15 Ų | 15 | 89.8 Ų | 89.8 | 11% | 0.105 | 44% | 0.438 | C | S | . | . | trans | -88.4 | 127.4 | 171 | 159 | 0 | 0 | 0 | 0 | 111.2 | E53 V54 R102 D113 | E53-S117 PolarHBondContact OE1-OG 2.85Å; V54-S117 CarbonylContact O-C 3.57Å; V54-S117 WeakPolarHBondContact O-CA 3.5Å; R102-S117 PolarHBondContact NH2-OG 3.37Å; D113-S117 PolarHBondContact O-N 3.24Å | ||
| 118 | H | 88.3 | Confident | 78.7 | Confident | 121 Ų | 121 | 86.1 Ų | 86.1 | 56% | 0.56 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.3 | 174.8 | -63.1 | -72.8 | 0 | 0 | 0 | 110.2 | E53 V54 | E53-H118 WeakPolarHBondContact CA-O 3.42Å; V54-H118 PolarHBondContact N-O 3.46Å; V54-H118 PolarHBondContact O-N 3.03Å |
| 119 | M | 89.8 | Confident | 79.4 | Confident | 50 Ų | 50 | 89 Ų | 89 | 25% | 0.246 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 131.3 | 174.1 | 175 | 178.1 | 167.9 | 0 | 0 | 109.9 | A51 L64 L95 A98 I99 R102 F121 | A51-M119 HydrophobicContact CB-CE 4.43Å; L64-M119 HydrophobicContact CD1-CE 4.35Å; L64-M119 HydrophobicContact CD1-CG 3.8Å; L64-M119 HydrophobicContact CD1-SD 4.05Å; L95-M119 HydrophobicContact CD1-CE 4.02Å; A98-M119 HydrophobicContact CB-CE 3.52Å; I99-M119 HydrophobicContact CG1-CE 4.37Å; I99-M119 HydrophobicContact CG1-SD 4.43Å; R102-M119 HydrophobicContact CG-SD 4.32Å; M119-F121 HydrophobicContact CE-CB 4.04Å; M119-F121 HydrophobicContact CE-CD2 3.91Å; M119-F121 HydrophobicContact CE-CG 4.37Å |
| 120 | L | 92.2 | Very high | 79.4 | Confident | 92 Ų | 92 | 98.4 Ų | 98.4 | 48% | 0.482 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115.2 | 170.5 | -66.8 | 89.1 | 0 | 0 | 0 | 108.4 | A51 V52 V54 | A51-L120 VanDerWaalsContact CA-O 3.26Å; A51-L120 WeakPolarHBondContact CA-O 3.28Å; V52-L120 PolarHBondContact N-O 3.4Å; V52-L120 PolarHBondContact O-N 3.42Å; V54-L120 HydrophobicContact CG2-CD1 3.69Å |
| 121 | F | 92.9 | Very high | 80.2 | Confident | 34 Ų | 34 | 97.3 Ų | 97.3 | 15% | 0.149 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120.9 | 172.6 | -168.7 | -99.6 | 0 | 0 | 0 | 108.7 | I23 I27 I49 A51 F94 L95 M119 L123 | I23-F121 HydrophobicContact CG2-CD1 4.15Å; I27-F121 HydrophobicContact CD1-CE1 3.98Å; I49-F121 HydrophobicContact CG2-CD2 4.44Å; I49-F121 HydrophobicContact CG2-CE1 4.21Å; I49-F121 HydrophobicContact CG2-CE2 3.61Å; I49-F121 HydrophobicContact CG2-CZ 3.48Å; I49-F121 VanDerWaalsContact CG2-CZ 3.48Å; A51-F121 HydrophobicContact CB-CD2 3.71Å; A51-F121 HydrophobicContact CB-CE2 4.27Å; F94-F121 HydrophobicContact CB-CE2 4.49Å; L95-F121 HydrophobicContact CB-CE1 4.44Å; L95-F121 HydrophobicContact CB-CE2 4.06Å; L95-F121 HydrophobicContact CB-CZ 3.89Å; L95-F121 HydrophobicContact CD1-CD1 4.29Å; L95-F121 HydrophobicContact CD1-CD2 3.96Å; L95-F121 HydrophobicContact CD1-CE1 4.42Å; L95-F121 HydrophobicContact CD1-CE2 4.13Å; L95-F121 HydrophobicContact CD1-CG 4.05Å; L95-F121 HydrophobicContact CD1-CZ 4.35Å; M119-F121 HydrophobicContact CE-CB 4.04Å; M119-F121 HydrophobicContact CE-CD2 3.91Å; M119-F121 HydrophobicContact CE-CG 4.37Å; F121-L123 HydrophobicContact CD1-CD1 3.74Å; F121-L123 HydrophobicContact CE1-CD1 3.55Å; F121-L123 HydrophobicContact CE1-CG 4.39Å |
| 122 | T | 94.3 | Very high | 81.1 | Confident | 57 Ų | 57 | 93.8 Ų | 93.8 | 35% | 0.35 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.7 | -172.4 | -53.4 | 0 | 0 | 0 | 0 | 111 | I49 S50 | I49-T122 WeakPolarHBondContact CA-O 3.43Å; S50-T122 PolarHBondContact N-O 3.16Å; S50-T122 PolarHBondContact O-N 3.09Å |
| 123 | L | 92.4 | Very high | 82.1 | Confident | 43 Ų | 43 | 93.2 Ų | 93.2 | 23% | 0.225 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.1 | 169.7 | -67.2 | 82.1 | 0 | 0 | 0 | 108.9 | I27 L30 F31 V47 R48 I49 F121 | I27-L123 HydrophobicContact CG1-CD1 4.48Å; I27-L123 HydrophobicContact CG1-CD2 4.28Å; L30-L123 HydrophobicContact CD2-CB 4.38Å; L30-L123 HydrophobicContact CD2-CD2 3.61Å; F31-L123 HydrophobicContact CE2-CD2 4.29Å; V47-L123 HydrophobicContact CG1-CB 4.34Å; V47-L123 HydrophobicContact CG1-CD2 4.35Å; R48-L123 CarbonylContact O-C 3.49Å; R48-L123 WeakPolarHBondContact O-CA 3.02Å; I49-L123 HydrophobicContact CG1-CG 4.41Å; F121-L123 HydrophobicContact CD1-CD1 3.74Å; F121-L123 HydrophobicContact CE1-CD1 3.55Å; F121-L123 HydrophobicContact CE1-CG 4.39Å |
| 124 | H | 93 | Very high | 83.2 | Confident | 70 Ų | 70 | 96.5 Ų | 96.5 | 32% | 0.324 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 114.1 | 177 | -57.2 | -92.2 | 0 | 0 | 0 | 109 | V47 R48 S50 Y126 | V47-H124 CarbonylContact C-O 3.56Å; V47-H124 VanDerWaalsContact CA-O 3.31Å; V47-H124 WeakPolarHBondContact CA-O 3.23Å; R48-H124 HydrophobicContact CB-CB 4.25Å; R48-H124 PolarHBondContact N-O 2.81Å; R48-H124 PolarHBondContact O-N 3.39Å; S50-H124 PolarHBondContact OG-NE2 2.75Å; H124-Y126 HydrophobicContact CB-CE2 3.71Å |
| 125 | I | 91.9 | Very high | 84.3 | Confident | 80 Ų | 80 | 97.9 Ų | 97.9 | 41% | 0.41 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.7 | -175.9 | -53 | 158.2 | 0 | 0 | 0 | 109.1 | L30 I34 F45 | L30-I125 HydrophobicContact CD1-CD1 3.54Å; L30-I125 HydrophobicContact CD2-CD1 3.84Å; L30-I125 HydrophobicContact CD2-CG1 4.27Å; L30-I125 HydrophobicContact CG-CD1 4.27Å; I34-I125 HydrophobicContact CD1-CG2 4.36Å; F45-I125 HydrophobicContact CD1-CG2 4.03Å |
| 126 | Y | 90.8 | Very high | 85.5 | Confident | 100 Ų | 100 | 93.8 Ų | 93.8 | 39% | 0.392 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.3 | 175.9 | -56.5 | -85.9 | 0 | 0 | 0 | 109.2 | F45 S46 R48 H124 | F45-Y126 CarbonylContact C-O 3.59Å; F45-Y126 VanDerWaalsContact CA-O 3.23Å; F45-Y126 WeakPolarHBondContact CA-O 3.21Å; S46-Y126 PolarHBondContact N-O 3.04Å; S46-Y126 PolarHBondContact O-N 3.49Å; R48-Y126 HydrophobicContact CB-CE2 4.49Å; R48-Y126 HydrophobicContact CG-CE2 4.12Å; H124-Y126 HydrophobicContact CB-CE2 3.71Å |
| 127 | Q | 89.3 | Confident | 86.4 | Confident | 101 Ų | 101 | 94.7 Ų | 94.7 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.2 | 172.4 | -176.4 | -178.6 | -3.9 | 0 | 0 | 109.4 | A43 F45 | A43-Q127 HydrophobicContact CB-CG 4.28Å; F45-Q127 HydrophobicContact CD1-CB 3.92Å; F45-Q127 HydrophobicContact CD1-CG 4.17Å; F45-Q127 HydrophobicContact CE1-CB 3.68Å; F45-Q127 HydrophobicContact CE1-CG 3.66Å; F45-Q127 HydrophobicContact CZ-CB 4.41Å; F45-Q127 HydrophobicContact CZ-CG 3.87Å |
| 128 | Y | 84.2 | Confident | 86.8 | Confident | 123 Ų | 123 | 100.8 Ų | 100.8 | 48% | 0.482 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.4 | 172 | -56.3 | -89.8 | 0 | 0 | 0 | 109 | R44 | R44-Y128 HydrophobicContact CB-CD2 4.33Å; R44-Y128 PolarHBondContact O-N 3.21Å |
| 129 | R | 71.6 | Confident | 86.7 | Confident | 218 Ų | 218 | 99.2 Ų | 99.2 | 82% | 0.823 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -98.5 | 133.1 | 168.1 | -69.5 | -176.6 | 168.7 | 167.8 | -2.9 | 107.9 | ||
| 130 | M | 57.8 | Low | 86.4 | Confident | 222 Ų | 222 | 103.6 Ų | 103.6 | 100% | 1.094 | 47% | 0.473 | S | S | * | . | trans | -78.1 | 0 | 164.6 | -69.3 | -81.7 | -173.8 | 0 | 0 | 108.6 |
Retrieved 130 of 130 residues in 314 ms
(Link to these results)