| 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 | 35.9 | Very low | 70.5 | Confident | 234 Ų | 234 | 105.5 Ų | 105.5 | 100% | 1.153 | 54% | 0.537 | S | S | * | . | 0 | 71.2 | 0 | -69.4 | 168 | 156.6 | 0 | 0 | 110.4 | |||||
| 2 | Q | 36.3 | Very low | 72.5 | Confident | 175 Ų | 175 | 99.5 Ų | 99.5 | 82% | 0.818 | 51% | 0.505 | S | S | * | . | trans | -145.3 | 8.1 | 176.2 | -80.6 | -171 | -25.3 | 0 | 0 | 114 | ||||
| 3 | H | 40 | Very low | 74.2 | Confident | 165 Ų | 165 | 101.1 Ų | 101.1 | 76% | 0.764 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -108.7 | -12.8 | -178.2 | -65.2 | -58.8 | 0 | 0 | 0 | 114.3 | ||
| 4 | T | 53.6 | Low | 75.6 | Confident | 95 Ų | 95 | 95.1 Ų | 95.1 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.8 | -44.5 | -173.4 | 44.4 | 0 | 0 | 0 | 0 | 113 | C6 T7 E8 | T4-C6 VanDerWaalsContact C-N 3.35Å; T4-C6 PolarHBondContact O-N 3.05Å; T4-T7 PolarHBondContact O-N 3.44Å; T4-T7 VanDerWaalsContact O-N 3.08Å; T4-E8 PolarHBondContact O-N 3.21Å |
| 5 | T | 62.4 | Low | 77 | Confident | 82 Ų | 82 | 88.8 Ų | 88.8 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.3 | -45.3 | -178.4 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | T7 E8 D9 | T5-T7 PolarHBondContact O-N 2.89Å; T5-E8 PolarHBondContact O-N 2.92Å; T5-E8 VanDerWaalsContact O-N 3.12Å; T5-D9 WeakPolarHBondContact O-CB 3.32Å; T5-D9 PolarHBondContact O-N 2.98Å; T5-D9 VanDerWaalsContact O-OD2 3.1Å |
| 6 | C | 82.3 | Confident | 78 | Confident | 75 Ų | 75 | 86.5 Ų | 86.5 | 51% | 0.507 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.5 | -29.7 | 179.6 | -170.2 | 0 | 0 | 0 | 0 | 113 | T4 R10 | T4-C6 VanDerWaalsContact C-N 3.35Å; T4-C6 PolarHBondContact O-N 3.05Å; C6-R10 WeakPolarHBondContact O-CB 3.27Å; C6-R10 WeakPolarHBondContact O-CD 3.47Å; C6-R10 WeakPolarHBondContact O-CG 3.43Å; C6-R10 PolarHBondContact O-N 3.14Å |
| 7 | T | 89.1 | Confident | 78.7 | Confident | 39 Ų | 39 | 88.6 Ų | 88.6 | 24% | 0.239 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -78 | -43.4 | 173.1 | -61.8 | 0 | 0 | 0 | 0 | 111 | T4 T5 R10 I11 N58 I61 | T4-T7 PolarHBondContact O-N 3.44Å; T4-T7 VanDerWaalsContact O-N 3.08Å; T5-T7 PolarHBondContact O-N 2.89Å; T7-R10 PolarHBondContact O-N 2.95Å; T7-I11 HydrophobicContact CG2-CD1 3.91Å; T7-I11 HydrophobicContact CG2-CG1 4.48Å; T7-I11 WeakPolarHBondContact O-CG1 3.31Å; T7-I11 PolarHBondContact O-N 3.05Å; T7-N58 WeakPolarHBondContact CG2-OD1 3.34Å; T7-I61 HydrophobicContact CG2-CD1 4.43Å |
| 8 | E | 92.3 | Very high | 79.5 | Confident | 60 Ų | 60 | 83.8 Ų | 83.8 | 28% | 0.28 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -55.8 | -52.7 | 173.8 | -168.6 | -178 | 169 | 0 | 0 | 111.1 | T4 T5 R10 I11 Q12 I61 Q65 R68 | T4-E8 PolarHBondContact O-N 3.21Å; T5-E8 PolarHBondContact O-N 2.92Å; T5-E8 VanDerWaalsContact O-N 3.12Å; E8-R10 PolarHBondContact O-N 3.07Å; E8-I11 PolarHBondContact O-N 2.8Å; E8-Q12 WeakPolarHBondContact O-CB 3.31Å; E8-Q12 PolarHBondContact O-N 3.27Å; E8-I61 HydrophobicContact CB-CG2 4.31Å; E8-I61 HydrophobicContact CG-CG2 4.05Å; E8-Q65 PolarHBondContact O-NE2 2.68Å; E8-R68 IonicContact OE1-CZ 3.42Å; E8-R68 VanDerWaalsContact OE1-CZ 3.27Å; E8-R68 IonicContact OE1-NH1 3.7Å; E8-R68 PolarHBondContact OE1-NH1 2.84Å; E8-R68 IonicContact OE1-NH2 2.84Å; E8-R68 PolarHBondContact OE1-NH2 3.34Å |
| 9 | D | 92.8 | Very high | 80.1 | Confident | 105 Ų | 105 | 79.9 Ų | 79.9 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -55.1 | -38.3 | 177.8 | -66.8 | -34.5 | 0 | 0 | 0 | 112.4 | T5 H13 | T5-D9 WeakPolarHBondContact O-CB 3.32Å; T5-D9 PolarHBondContact O-N 2.98Å; T5-D9 VanDerWaalsContact O-OD2 3.1Å; D9-H13 WeakPolarHBondContact O-CB 3.41Å; D9-H13 PolarHBondContact O-N 2.93Å |
| 10 | R | 94.3 | Very high | 80.5 | Confident | 131 Ų | 131 | 82.1 Ų | 82.1 | 49% | 0.494 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -73.6 | -39.6 | 179.8 | -77.2 | 169.8 | 65.5 | -147.9 | -0.3 | 112.7 | C6 T7 E8 A14 | C6-R10 WeakPolarHBondContact O-CB 3.27Å; C6-R10 WeakPolarHBondContact O-CD 3.47Å; C6-R10 WeakPolarHBondContact O-CG 3.43Å; C6-R10 PolarHBondContact O-N 3.14Å; T7-R10 PolarHBondContact O-N 2.95Å; E8-R10 PolarHBondContact O-N 3.07Å; R10-A14 WeakPolarHBondContact O-CB 3.22Å; R10-A14 PolarHBondContact O-N 3.14Å; R10-A14 VanDerWaalsContact O-N 3.09Å |
| 11 | I | 96.3 | Very high | 80.4 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 174.8 | -60.7 | 170.1 | 0 | 0 | 0 | 109.2 | T7 E8 A14 L15 L48 L51 N58 I61 L62 | T7-I11 HydrophobicContact CG2-CD1 3.91Å; T7-I11 HydrophobicContact CG2-CG1 4.48Å; T7-I11 WeakPolarHBondContact O-CG1 3.31Å; T7-I11 PolarHBondContact O-N 3.05Å; E8-I11 PolarHBondContact O-N 2.8Å; I11-A14 CarbonylContact O-C 3.55Å; I11-A14 PolarHBondContact O-N 3.34Å; I11-A14 VanDerWaalsContact O-N 3.17Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 PolarHBondContact O-N 3.36Å; I11-L48 HydrophobicContact CG2-CD1 3.97Å; I11-L51 HydrophobicContact CG1-CD2 3.98Å; I11-L51 HydrophobicContact CG1-CG 4.43Å; I11-N58 HydrophobicContact CD1-CB 3.79Å; I11-I61 HydrophobicContact CD1-CB 4.04Å; I11-I61 HydrophobicContact CD1-CD1 4.44Å; I11-I61 HydrophobicContact CD1-CG2 3.85Å; I11-L62 HydrophobicContact CG2-CB 3.85Å; I11-L62 HydrophobicContact CG2-CD1 3.88Å; I11-L62 HydrophobicContact CG2-CG 4.38Å |
| 12 | Q | 95.2 | Very high | 82.5 | Confident | 33 Ų | 33 | 69.3 Ų | 69.3 | 15% | 0.154 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 177.6 | -178.1 | 61.8 | 60.3 | 0 | 0 | 110.7 | E8 A14 L15 D16 | E8-Q12 WeakPolarHBondContact O-CB 3.31Å; E8-Q12 PolarHBondContact O-N 3.27Å; Q12-A14 VanDerWaalsContact C-N 3.29Å; Q12-A14 PolarHBondContact O-N 3.39Å; Q12-L15 WeakPolarHBondContact O-CB 3.17Å; Q12-L15 PolarHBondContact O-N 3.1Å; Q12-D16 PolarHBondContact NE2-OD2 3.02Å; Q12-D16 PolarHBondContact O-N 3.5Å |
| 13 | H | 93.8 | Very high | 84 | Confident | 120 Ų | 120 | 67.3 Ų | 67.3 | 56% | 0.556 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | 175.8 | -175.9 | 67.9 | 0 | 0 | 0 | 112.4 | D9 R17 | D9-H13 WeakPolarHBondContact O-CB 3.41Å; D9-H13 PolarHBondContact O-N 2.93Å; H13-R17 WeakPolarHBondContact NE2-CD 3.49Å; H13-R17 WeakPolarHBondContact O-CB 3.38Å; H13-R17 VanDerWaalsContact O-CG 3.27Å; H13-R17 WeakPolarHBondContact O-CG 3.47Å; H13-R17 PolarHBondContact O-N 3.24Å |
| 14 | A | 94.6 | Very high | 84.8 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.4 | -37 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R10 I11 Q12 R17 C18 L48 L51 | R10-A14 WeakPolarHBondContact O-CB 3.22Å; R10-A14 PolarHBondContact O-N 3.14Å; R10-A14 VanDerWaalsContact O-N 3.09Å; I11-A14 CarbonylContact O-C 3.55Å; I11-A14 PolarHBondContact O-N 3.34Å; I11-A14 VanDerWaalsContact O-N 3.17Å; Q12-A14 VanDerWaalsContact C-N 3.29Å; Q12-A14 PolarHBondContact O-N 3.39Å; A14-R17 PolarHBondContact O-N 2.86Å; A14-C18 PolarHBondContact O-N 3.5Å; A14-C18 VanDerWaalsContact O-N 3.11Å; A14-C18 PolarHBondContact O-SG 3.41Å; A14-L48 HydrophobicContact CB-CB 4.26Å; A14-L48 HydrophobicContact CB-CD1 3.76Å; A14-L51 HydrophobicContact CB-CD2 4.33Å |
| 15 | L | 95.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -51.3 | 170.9 | 172.4 | 61.6 | 0 | 0 | 0 | 111.2 | I11 Q12 R17 C18 L19 L62 Q65 I66 K69 M88 | I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 PolarHBondContact O-N 3.36Å; Q12-L15 WeakPolarHBondContact O-CB 3.17Å; Q12-L15 PolarHBondContact O-N 3.1Å; L15-R17 VanDerWaalsContact C-N 3.28Å; L15-R17 PolarHBondContact O-N 3.02Å; L15-C18 WeakPolarHBondContact O-CA 3.49Å; L15-C18 VanDerWaalsContact O-CB 3.31Å; L15-C18 WeakPolarHBondContact O-CB 3.29Å; L15-C18 PolarHBondContact O-N 3.29Å; L15-L19 HydrophobicContact CD1-CD1 3.95Å; L15-L19 HydrophobicContact CD1-CG 4.45Å; L15-L19 HydrophobicContact CG-CD1 4.24Å; L15-L19 PolarHBondContact O-N 3.48Å; L15-L62 HydrophobicContact CB-CD1 4.32Å; L15-L62 HydrophobicContact CD1-CD1 4.38Å; L15-L62 HydrophobicContact CD2-CD1 4.38Å; L15-Q65 HydrophobicContact CD2-CB 3.71Å; L15-I66 HydrophobicContact CD1-CG1 3.94Å; L15-I66 HydrophobicContact CD2-CG1 4.13Å; L15-K69 HydrophobicContact CD2-CB 4.35Å; L15-M88 HydrophobicContact CD1-CE 3.45Å; L15-M88 VanDerWaalsContact CD1-CE 3.45Å; L15-M88 HydrophobicContact CD1-SD 4.16Å |
| 16 | D | 92.8 | Very high | 83.3 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 177.1 | -76.2 | -54.2 | 0 | 0 | 0 | 111.2 | Q12 C18 L19 D20 K69 | Q12-D16 PolarHBondContact NE2-OD2 3.02Å; Q12-D16 PolarHBondContact O-N 3.5Å; D16-C18 VanDerWaalsContact C-N 3.3Å; D16-C18 PolarHBondContact O-N 3.41Å; D16-L19 CarbonylContact O-C 3.59Å; D16-L19 PolarHBondContact O-N 3.01Å; D16-L19 VanDerWaalsContact O-N 3.14Å; D16-D20 WeakPolarHBondContact O-CB 3.06Å; D16-D20 PolarHBondContact O-N 3.25Å; D16-K69 WeakPolarHBondContact OD1-CE 3.34Å; D16-K69 IonicContact OD1-NZ 3.63Å; D16-K69 PolarHBondContact OD1-NZ 3.13Å |
| 17 | R | 91.3 | Very high | 81.2 | Confident | 122 Ų | 122 | 67.8 Ų | 67.8 | 46% | 0.46 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.2 | -27.4 | 171.9 | -76.7 | -175.8 | 72.8 | 85.2 | 7.7 | 114.4 | H13 A14 L15 L19 N44 | H13-R17 WeakPolarHBondContact NE2-CD 3.49Å; H13-R17 WeakPolarHBondContact O-CB 3.38Å; H13-R17 VanDerWaalsContact O-CG 3.27Å; H13-R17 WeakPolarHBondContact O-CG 3.47Å; H13-R17 PolarHBondContact O-N 3.24Å; A14-R17 PolarHBondContact O-N 2.86Å; L15-R17 VanDerWaalsContact C-N 3.28Å; L15-R17 PolarHBondContact O-N 3.02Å; R17-L19 VanDerWaalsContact C-N 3.32Å; R17-N44 HydrophobicContact CB-CB 4.48Å; R17-N44 PolarHBondContact NE-OD1 2.98Å; R17-N44 PolarHBondContact NH2-OD1 3.49Å; R17-N44 PolarHBondContact O-ND2 3.46Å |
| 18 | C | 92.4 | Very high | 78.8 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.02 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.4 | -33.4 | 173.7 | -65.8 | 0 | 0 | 0 | 0 | 111.3 | A14 L15 D16 M88 W613 R616 | A14-C18 PolarHBondContact O-N 3.5Å; A14-C18 VanDerWaalsContact O-N 3.11Å; A14-C18 PolarHBondContact O-SG 3.41Å; L15-C18 WeakPolarHBondContact O-CA 3.49Å; L15-C18 VanDerWaalsContact O-CB 3.31Å; L15-C18 WeakPolarHBondContact O-CB 3.29Å; L15-C18 PolarHBondContact O-N 3.29Å; D16-C18 VanDerWaalsContact C-N 3.3Å; D16-C18 PolarHBondContact O-N 3.41Å; C18-M88 HydrophobicContact CB-CE 4.05Å; C18-M88 HydrophobicContact CB-SD 4.04Å; C18-W613 HydrophobicContact CB-CH2 4.27Å; C18-R616 PolarHBondContact O-NH1 3.34Å |
| 19 | L | 91.5 | Very high | 76.1 | Confident | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -95.6 | -23.3 | -174.5 | -56.9 | 170.6 | 0 | 0 | 0 | 113.6 | L15 D16 R17 G21 L22 K69 L81 P84 L85 M88 | L15-L19 HydrophobicContact CD1-CD1 3.95Å; L15-L19 HydrophobicContact CD1-CG 4.45Å; L15-L19 HydrophobicContact CG-CD1 4.24Å; L15-L19 PolarHBondContact O-N 3.48Å; D16-L19 CarbonylContact O-C 3.59Å; D16-L19 PolarHBondContact O-N 3.01Å; D16-L19 VanDerWaalsContact O-N 3.14Å; R17-L19 VanDerWaalsContact C-N 3.32Å; L19-G21 PolarHBondContact O-N 3.43Å; L19-L22 HydrophobicContact CB-CD1 4.32Å; L19-L22 HydrophobicContact CD2-CD1 3.85Å; L19-L22 VanDerWaalsContact O-CB 3.32Å; L19-L22 WeakPolarHBondContact O-CB 3.4Å; L19-L22 WeakPolarHBondContact O-CG 3.35Å; L19-L22 PolarHBondContact O-N 2.81Å; L19-K69 HydrophobicContact CD1-CG 3.77Å; L19-L81 HydrophobicContact CB-CD2 4.2Å; L19-L81 HydrophobicContact CD2-CD2 4.38Å; L19-P84 HydrophobicContact CD2-CB 4.05Å; L19-L85 HydrophobicContact CD1-CD2 3.75Å; L19-L85 HydrophobicContact CD1-CG 4.4Å; L19-L85 HydrophobicContact CD2-CD2 4.38Å; L19-L85 HydrophobicContact CD2-CG 4.4Å; L19-M88 HydrophobicContact CD2-SD 4.29Å |
| 20 | D | 86.9 | Confident | 73.7 | Confident | 124 Ų | 124 | 72 Ų | 72 | 66% | 0.663 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 126.1 | -175.2 | 177.1 | 36.6 | 0 | 0 | 0 | 112.5 | D16 R616 | D16-D20 WeakPolarHBondContact O-CB 3.06Å; D16-D20 PolarHBondContact O-N 3.25Å; D20-R616 PolarHBondContact O-NH1 3.17Å; D20-R616 PolarHBondContact O-NH2 3.26Å |
| 21 | G | 78 | Confident | 70.8 | Confident | 43 Ų | 43 | 72.5 Ų | 72.5 | 44% | 0.443 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 12.2 | -175 | 0 | 0 | 0 | 0 | 0 | 116.1 | L19 R23 R616 | L19-G21 PolarHBondContact O-N 3.43Å; G21-R23 VanDerWaalsContact C-N 3.31Å; G21-R616 PolarHBondContact O-NH2 3.3Å; G21-R616 VanDerWaalsContact O-NH2 3.12Å |
| 22 | L | 81.2 | Confident | 67.9 | Low | 4 Ų | 4 | 81.8 Ų | 81.8 | 2% | 0.021 | 44% | 0.436 | C | S | . | . | trans | -69 | -32 | 166.5 | -82.4 | 170.5 | 0 | 0 | 0 | 111.7 | L19 Q24 E80 L81 P84 P612 W613 R616 | L19-L22 HydrophobicContact CB-CD1 4.32Å; L19-L22 HydrophobicContact CD2-CD1 3.85Å; L19-L22 VanDerWaalsContact O-CB 3.32Å; L19-L22 WeakPolarHBondContact O-CB 3.4Å; L19-L22 WeakPolarHBondContact O-CG 3.35Å; L19-L22 PolarHBondContact O-N 2.81Å; L22-Q24 VanDerWaalsContact C-N 3.3Å; L22-Q24 PolarHBondContact O-N 3.35Å; L22-E80 HydrophobicContact CB-CB 4.4Å; L22-L81 HydrophobicContact CB-CD2 3.62Å; L22-L81 HydrophobicContact CD1-CD2 3.49Å; L22-L81 VanDerWaalsContact CD1-CD2 3.49Å; L22-L81 HydrophobicContact CG-CD2 4.19Å; L22-P84 HydrophobicContact CD1-CB 3.98Å; L22-P84 HydrophobicContact CD1-CG 3.79Å; L22-P84 HydrophobicContact CD2-CG 4.47Å; L22-P612 HydrophobicContact CD2-CB 3.64Å; L22-W613 HydrophobicContact CD1-CE3 4.44Å; L22-W613 HydrophobicContact CD1-CZ3 4.35Å; L22-R616 VanDerWaalsContact N-NH2 3.18Å | ||
| 23 | R | 68.4 | Low | 65 | Low | 133 Ų | 133 | 85.9 Ų | 85.9 | 50% | 0.502 | 46% | 0.459 | S | S | . | . | trans | -67 | 81.8 | 170.3 | -85.9 | -179.6 | 146.4 | 173.9 | -0.8 | 111.2 | G21 S25 Q78 | G21-R23 VanDerWaalsContact C-N 3.31Å; R23-S25 PolarHBondContact O-N 2.83Å; R23-Q78 VanDerWaalsContact CZ-CD 3.43Å | ||
| 24 | Q | 55.7 | Low | 62.5 | Low | 102 Ų | 102 | 85 Ų | 85 | 48% | 0.477 | 46% | 0.462 | S | S | . | . | trans | -81.4 | 94.2 | 166.1 | -61.5 | -161.9 | 30.3 | 0 | 0 | 109.1 | L22 P26 E615 | L22-Q24 VanDerWaalsContact C-N 3.3Å; L22-Q24 PolarHBondContact O-N 3.35Å; Q24-P26 WeakPolarHBondContact O-CD 3.41Å; Q24-E615 PolarHBondContact NE2-OE2 3.3Å | ||
| 25 | S | 41.7 | Very low | 59.9 | Low | 63 Ų | 63 | 89.7 Ų | 89.7 | 44% | 0.441 | 48% | 0.484 | S | S | . | . | trans | -68.2 | 125.4 | 176.1 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | R23 T27 A28 | R23-S25 PolarHBondContact O-N 2.83Å; S25-T27 PolarHBondContact O-N 3.41Å; S25-T27 PolarHBondContact OG-OG1 3.02Å; S25-A28 WeakPolarHBondContact O-CB 3.22Å; S25-A28 PolarHBondContact O-N 3.18Å | ||
| 26 | P | 42.9 | Very low | 57 | Low | 132 Ų | 132 | 97.8 Ų | 97.8 | 86% | 0.857 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -11.4 | -178.7 | -26.5 | 35.8 | 0 | 0 | 0 | 115.6 | Q24 | Q24-P26 WeakPolarHBondContact O-CD 3.41Š|
| 27 | T | 38.8 | Very low | 54.6 | Low | 130 Ų | 130 | 100.5 Ų | 100.5 | 80% | 0.798 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -1.3 | 176.2 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | S25 A29 | S25-T27 PolarHBondContact O-N 3.41Å; S25-T27 PolarHBondContact OG-OG1 3.02Å; T27-A29 PolarHBondContact O-N 3.26Å; T27-A29 VanDerWaalsContact O-N 3.14Å |
| 28 | A | 38.3 | Very low | 52.7 | Low | 64 Ų | 64 | 95.1 Ų | 95.1 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -82.2 | 87.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S25 H30 | S25-A28 WeakPolarHBondContact O-CB 3.22Å; S25-A28 PolarHBondContact O-N 3.18Å; A28-H30 PolarHBondContact O-N 3.08Å |
| 29 | A | 34.4 | Very low | 50.7 | Low | 83 Ų | 83 | 98.4 Ų | 98.4 | 69% | 0.686 | 55% | 0.554 | S | S | * | * | trans | -47.5 | 125.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T27 H31 | T27-A29 PolarHBondContact O-N 3.26Å; T27-A29 VanDerWaalsContact O-N 3.14Å; A29-H31 PolarHBondContact O-N 3.1Å | ||
| 30 | H | 43.1 | Very low | 49.4 | Very low | 145 Ų | 145 | 98.7 Ų | 98.7 | 67% | 0.671 | 56% | 0.559 | S | S | * | * | trans | -48.3 | 96.5 | -168.2 | -64 | -69.7 | 0 | 0 | 0 | 112.9 | A28 W32 | A28-H30 PolarHBondContact O-N 3.08Å; H30-W32 PolarHBondContact O-N 3.47Å | ||
| 31 | H | 34.6 | Very low | 48.8 | Very low | 142 Ų | 142 | 94.4 Ų | 94.4 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | trans | -79.5 | 116.7 | -179.9 | -123.3 | 84.4 | 0 | 0 | 0 | 109 | A29 N33 V34 | A29-H31 PolarHBondContact O-N 3.1Å; H31-N33 PolarHBondContact O-N 3.06Å; H31-V34 PolarHBondContact O-N 3.3Å | ||
| 32 | W | 34.6 | Very low | 48.8 | Very low | 195 Ų | 195 | 92.4 Ų | 92.4 | 74% | 0.739 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -18.6 | -172.1 | -70.2 | 80 | 0 | 0 | 0 | 115.2 | H30 V34 L35 | H30-W32 PolarHBondContact O-N 3.47Å; W32-V34 VanDerWaalsContact C-N 3.25Å; W32-V34 PolarHBondContact O-N 3.48Å; W32-L35 HydrophobicContact CE3-CD2 4.47Å; W32-L35 WeakPolarHBondContact O-CB 3.42Å; W32-L35 PolarHBondContact O-N 2.88Å; W32-L35 VanDerWaalsContact O-N 3.14Å |
| 33 | N | 33.3 | Very low | 49 | Very low | 119 Ų | 119 | 93.8 Ų | 93.8 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.1 | -30.5 | 172.2 | -63.7 | -16.8 | 0 | 0 | 0 | 113.7 | H31 L35 M36 C37 | H31-N33 PolarHBondContact O-N 3.06Å; N33-L35 VanDerWaalsContact C-N 3.26Å; N33-L35 PolarHBondContact O-N 2.69Å; N33-M36 PolarHBondContact O-N 2.65Å; N33-C37 PolarHBondContact O-N 3.04Å |
| 34 | V | 42 | Very low | 50 | Low | 102 Ų | 102 | 88.9 Ų | 88.9 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.5 | -32.5 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | H31 W32 M36 C37 S38 | H31-V34 PolarHBondContact O-N 3.3Å; W32-V34 VanDerWaalsContact C-N 3.25Å; W32-V34 PolarHBondContact O-N 3.48Å; V34-M36 PolarHBondContact O-N 2.79Å; V34-C37 PolarHBondContact O-N 3.48Å; V34-S38 PolarHBondContact O-N 2.71Å |
| 35 | L | 40.1 | Very low | 51.7 | Low | 117 Ų | 117 | 84.6 Ų | 84.6 | 61% | 0.613 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | -179.8 | -146.6 | 74 | 0 | 0 | 0 | 111.1 | W32 N33 C37 S38 | W32-L35 HydrophobicContact CE3-CD2 4.47Å; W32-L35 WeakPolarHBondContact O-CB 3.42Å; W32-L35 PolarHBondContact O-N 2.88Å; W32-L35 VanDerWaalsContact O-N 3.14Å; N33-L35 VanDerWaalsContact C-N 3.26Å; N33-L35 PolarHBondContact O-N 2.69Å; L35-C37 PolarHBondContact O-N 3.13Å; L35-S38 PolarHBondContact O-N 2.79Å; L35-S38 PolarHBondContact O-OG 2.92Å |
| 36 | M | 35 | Very low | 54 | Low | 170 Ų | 170 | 83 Ų | 83 | 84% | 0.837 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.9 | -30.9 | 179.7 | -78.4 | -70.6 | -179.6 | 0 | 0 | 114 | N33 V34 | N33-M36 PolarHBondContact O-N 2.65Å; V34-M36 PolarHBondContact O-N 2.79Å |
| 37 | C | 42.8 | Very low | 56.3 | Low | 108 Ų | 108 | 79.5 Ų | 79.5 | 73% | 0.73 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 9.8 | -180 | -69.6 | 0 | 0 | 0 | 0 | 114.1 | N33 V34 L35 | N33-C37 PolarHBondContact O-N 3.04Å; V34-C37 PolarHBondContact O-N 3.48Å; L35-C37 PolarHBondContact O-N 3.13Å |
| 38 | S | 50.9 | Low | 58.9 | Low | 10 Ų | 10 | 73.6 Ų | 73.6 | 7% | 0.07 | 41% | 0.41 | C | S | . | . | trans | -91.7 | -1.2 | -173.9 | 73.1 | 0 | 0 | 0 | 0 | 115.7 | V34 L35 K623 | V34-S38 PolarHBondContact O-N 2.71Å; L35-S38 PolarHBondContact O-N 2.79Å; L35-S38 PolarHBondContact O-OG 2.92Å; S38-K623 VanDerWaalsContact CB-NZ 3.28Å; S38-K623 WeakPolarHBondContact O-CD 3.28Å; S38-K623 WeakPolarHBondContact OG-CD 3.33Å; S38-K623 PolarHBondContact OG-NZ 3.27Å | ||
| 39 | A | 50.9 | Low | 61.4 | Low | 72 Ų | 72 | 72.2 Ų | 72.2 | 60% | 0.595 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 125.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 40 | G | 62.8 | Low | 64 | Low | 15 Ų | 15 | 69.4 Ų | 69.4 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | 12.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | M43 N44 | G40-M43 CarbonylContact O-C 3.59Å; G40-M43 WeakPolarHBondContact O-CA 3.43Å; G40-M43 WeakPolarHBondContact O-CB 3.21Å; G40-M43 PolarHBondContact O-N 3.14Å; G40-M43 VanDerWaalsContact O-N 3.08Å; G40-N44 PolarHBondContact O-N 3.01Å |
| 41 | Q | 75.7 | Confident | 66.4 | Low | 34 Ų | 34 | 63.4 Ų | 63.4 | 16% | 0.159 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.8 | -72.5 | 174.2 | -39.6 | 0 | 0 | 112.6 | M43 N44 | Q41-M43 VanDerWaalsContact C-N 3.25Å; Q41-M43 PolarHBondContact O-N 3.12Å; Q41-N44 WeakPolarHBondContact O-CB 3.33Å; Q41-N44 PolarHBondContact O-N 3.41Å |
| 42 | S | 76.5 | Confident | 69.1 | Low | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.7 | -34.9 | 168.5 | 38 | 0 | 0 | 0 | 0 | 112.6 | N44 R45 W46 R616 S620 | S42-N44 VanDerWaalsContact C-N 3.33Å; S42-N44 PolarHBondContact O-N 3.2Å; S42-R45 PolarHBondContact O-N 3.22Å; S42-W46 PolarHBondContact O-N 3.42Å; S42-R616 WeakPolarHBondContact CA-O 3.38Å; S42-R616 WeakPolarHBondContact CB-O 3.41Å; S42-R616 PolarHBondContact N-O 3.13Å; S42-R616 VanDerWaalsContact N-O 3.13Å; S42-S620 VanDerWaalsContact CB-OG 3.25Å; S42-S620 WeakPolarHBondContact CB-OG 3.44Å; S42-S620 PolarHBondContact N-OG 3.23Å; S42-S620 PolarHBondContact OG-OG 2.98Å |
| 43 | M | 86.3 | Confident | 71.8 | Confident | 34 Ų | 34 | 49.6 Ų | 49.6 | 17% | 0.167 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.8 | -24.3 | 177.1 | -61.2 | -52.8 | -53.8 | 0 | 0 | 113.5 | G40 Q41 W46 S47 L624 I651 | G40-M43 CarbonylContact O-C 3.59Å; G40-M43 WeakPolarHBondContact O-CA 3.43Å; G40-M43 WeakPolarHBondContact O-CB 3.21Å; G40-M43 PolarHBondContact O-N 3.14Å; G40-M43 VanDerWaalsContact O-N 3.08Å; Q41-M43 VanDerWaalsContact C-N 3.25Å; Q41-M43 PolarHBondContact O-N 3.12Å; M43-W46 HydrophobicContact CE-CB 4.44Å; M43-W46 HydrophobicContact CE-CD2 3.88Å; M43-W46 HydrophobicContact CE-CE3 3.4Å; M43-W46 HydrophobicContact CE-CG 4.35Å; M43-W46 HydrophobicContact CE-CZ3 3.91Å; M43-S47 WeakPolarHBondContact O-CB 3.25Å; M43-S47 PolarHBondContact O-N 2.89Å; M43-S47 PolarHBondContact O-OG 3.45Å; M43-L624 HydrophobicContact CG-CD1 3.99Å; M43-L624 HydrophobicContact CG-CD2 4.23Å; M43-L624 HydrophobicContact SD-CD1 4.01Å; M43-I651 HydrophobicContact CE-CD1 4.04Å; M43-I651 HydrophobicContact CE-CG2 3.85Å; M43-I651 HydrophobicContact SD-CG2 3.79Å |
| 44 | N | 90.4 | Very high | 74.4 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 16% | 0.16 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 174.6 | -72.2 | -29.5 | 0 | 0 | 0 | 110.2 | R17 G40 Q41 S42 S47 L48 | R17-N44 HydrophobicContact CB-CB 4.48Å; R17-N44 PolarHBondContact NE-OD1 2.98Å; R17-N44 PolarHBondContact NH2-OD1 3.49Å; R17-N44 PolarHBondContact O-ND2 3.46Å; G40-N44 PolarHBondContact O-N 3.01Å; Q41-N44 WeakPolarHBondContact O-CB 3.33Å; Q41-N44 PolarHBondContact O-N 3.41Å; S42-N44 VanDerWaalsContact C-N 3.33Å; S42-N44 PolarHBondContact O-N 3.2Å; N44-S47 PolarHBondContact O-N 2.93Å; N44-L48 PolarHBondContact O-N 2.82Å |
| 45 | R | 91.2 | Very high | 76.6 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 5% | 0.045 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 179.9 | -169 | -143.7 | 63 | 74.7 | 0.6 | 112.2 | S42 S47 L48 E49 W613 N617 Y658 | S42-R45 PolarHBondContact O-N 3.22Å; R45-S47 VanDerWaalsContact C-N 3.34Å; R45-S47 PolarHBondContact O-N 3.45Å; R45-L48 PolarHBondContact O-N 3.45Å; R45-E49 IonicContact CZ-OE2 2.69Å; R45-E49 IonicContact NH1-OE2 3.4Å; R45-E49 PolarHBondContact NH1-OE2 2.71Å; R45-E49 IonicContact NH2-OE2 2.6Å; R45-E49 PolarHBondContact NH2-OE2 3.41Å; R45-E49 PolarHBondContact O-N 3.01Å; R45-W613 HydrophobicContact CG-CZ2 4.33Å; R45-N617 WeakPolarHBondContact CD-OD1 3.48Å; R45-Y658 VanDerWaalsContact CZ-CD2 3.48Å |
| 46 | W | 90.2 | Very high | 79 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 11% | 0.114 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 175.8 | -177.2 | 93 | 0 | 0 | 0 | 111.6 | S42 M43 L48 E49 E50 I651 D654 L655 | S42-W46 PolarHBondContact O-N 3.42Å; M43-W46 HydrophobicContact CE-CB 4.44Å; M43-W46 HydrophobicContact CE-CD2 3.88Å; M43-W46 HydrophobicContact CE-CE3 3.4Å; M43-W46 HydrophobicContact CE-CG 4.35Å; M43-W46 HydrophobicContact CE-CZ3 3.91Å; W46-L48 VanDerWaalsContact C-N 3.34Å; W46-L48 PolarHBondContact O-N 2.87Å; W46-E49 WeakPolarHBondContact O-CB 3.21Å; W46-E49 PolarHBondContact O-N 3.5Å; W46-E50 HydrophobicContact CD2-CG 3.87Å; W46-E50 HydrophobicContact CE3-CG 4.04Å; W46-E50 HydrophobicContact CH2-CG 3.95Å; W46-E50 HydrophobicContact CZ2-CG 3.76Å; W46-E50 HydrophobicContact CZ3-CG 4.08Å; W46-E50 WeakPolarHBondContact O-CG 3.08Å; W46-E50 PolarHBondContact O-N 3.43Å; W46-I651 HydrophobicContact CD2-CG2 4.24Å; W46-I651 HydrophobicContact CG-CG2 4.28Å; W46-I651 HydrophobicContact CH2-CD1 4.14Å; W46-I651 HydrophobicContact CH2-CG1 4.31Å; W46-I651 HydrophobicContact CZ2-CD1 4.17Å; W46-I651 HydrophobicContact CZ2-CG1 3.83Å; W46-D654 PolarHBondContact NE1-OD2 3.09Å; W46-L655 HydrophobicContact CB-CD2 4.44Å |
| 47 | S | 90.5 | Very high | 81.7 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 41% | 0.406 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.1 | -29.2 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 113.5 | M43 N44 R45 L51 | M43-S47 WeakPolarHBondContact O-CB 3.25Å; M43-S47 PolarHBondContact O-N 2.89Å; M43-S47 PolarHBondContact O-OG 3.45Å; N44-S47 PolarHBondContact O-N 2.93Å; R45-S47 VanDerWaalsContact C-N 3.34Å; R45-S47 PolarHBondContact O-N 3.45Å; S47-L51 VanDerWaalsContact O-CB 3.25Å; S47-L51 WeakPolarHBondContact O-CB 3.36Å; S47-L51 PolarHBondContact O-N 2.96Å |
| 48 | L | 94 | Very high | 84.2 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69 | -44.9 | 170.7 | 172.5 | 60.9 | 0 | 0 | 0 | 110.7 | I11 A14 N44 R45 W46 L51 V52 L62 M88 | I11-L48 HydrophobicContact CG2-CD1 3.97Å; A14-L48 HydrophobicContact CB-CB 4.26Å; A14-L48 HydrophobicContact CB-CD1 3.76Å; N44-L48 PolarHBondContact O-N 2.82Å; R45-L48 PolarHBondContact O-N 3.45Å; W46-L48 VanDerWaalsContact C-N 3.34Å; W46-L48 PolarHBondContact O-N 2.87Å; L48-L51 WeakPolarHBondContact O-CB 3.25Å; L48-L51 PolarHBondContact O-N 3.38Å; L48-L51 VanDerWaalsContact O-N 3.15Å; L48-V52 HydrophobicContact CD1-CG2 4.15Å; L48-V52 WeakPolarHBondContact O-CG2 3.44Å; L48-V52 PolarHBondContact O-N 2.73Å; L48-L62 HydrophobicContact CD1-CD1 4.22Å; L48-L62 HydrophobicContact CD1-CD2 4.15Å; L48-L62 HydrophobicContact CD2-CD1 4.08Å; L48-L62 HydrophobicContact CD2-CD2 4.1Å; L48-L62 HydrophobicContact CG-CD2 4.08Å; L48-M88 HydrophobicContact CD2-CE 3.42Å; L48-M88 VanDerWaalsContact CD2-CE 3.42Å |
| 49 | E | 90.6 | Very high | 86.3 | Confident | 35 Ų | 35 | 39.8 Ų | 39.8 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 176.3 | -164 | -173.1 | 161.7 | 0 | 0 | 111.6 | R45 W46 L51 V52 K53 Q95 | R45-E49 IonicContact CZ-OE2 2.69Å; R45-E49 IonicContact NH1-OE2 3.4Å; R45-E49 PolarHBondContact NH1-OE2 2.71Å; R45-E49 IonicContact NH2-OE2 2.6Å; R45-E49 PolarHBondContact NH2-OE2 3.41Å; R45-E49 PolarHBondContact O-N 3.01Å; W46-E49 WeakPolarHBondContact O-CB 3.21Å; W46-E49 PolarHBondContact O-N 3.5Å; E49-L51 VanDerWaalsContact C-N 3.28Å; E49-L51 PolarHBondContact O-N 2.84Å; E49-V52 PolarHBondContact O-N 3.39Å; E49-K53 VanDerWaalsContact CD-NZ 3.35Å; E49-K53 HydrophobicContact CG-CD 4.28Å; E49-K53 WeakPolarHBondContact O-CG 3.35Å; E49-K53 PolarHBondContact O-N 3.24Å; E49-K53 WeakPolarHBondContact OE1-CE 3.36Å; E49-K53 IonicContact OE1-NZ 2.67Å; E49-K53 PolarHBondContact OE1-NZ 3.2Å; E49-Q95 PolarHBondContact OE1-NE2 3.06Å |
| 50 | E | 89.3 | Confident | 88.4 | Confident | 25 Ų | 25 | 38 Ų | 38 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.9 | -13.6 | 176 | -62.3 | -62.5 | 109.9 | 0 | 0 | 113.8 | W46 K53 R54 R648 | W46-E50 HydrophobicContact CD2-CG 3.87Å; W46-E50 HydrophobicContact CE3-CG 4.04Å; W46-E50 HydrophobicContact CH2-CG 3.95Å; W46-E50 HydrophobicContact CZ2-CG 3.76Å; W46-E50 HydrophobicContact CZ3-CG 4.08Å; W46-E50 WeakPolarHBondContact O-CG 3.08Å; W46-E50 PolarHBondContact O-N 3.43Å; E50-K53 WeakPolarHBondContact OE1-CD 3.36Å; E50-K53 IonicContact OE1-NZ 2.75Å; E50-K53 PolarHBondContact OE1-NZ 3.16Å; E50-R54 WeakPolarHBondContact O-CG 3.36Å; E50-R54 PolarHBondContact O-NH1 2.82Å; E50-R648 IonicContact OE2-CZ 2.84Å; E50-R648 IonicContact OE2-NE 3.29Å; E50-R648 IonicContact OE2-NH2 2.7Å; E50-R648 PolarHBondContact OE2-NH2 3.47Å |
| 51 | L | 92.3 | Very high | 90 | Very high | 18 Ų | 18 | 39 Ų | 39 | 9% | 0.094 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -76.1 | -46.6 | 165.7 | 173.1 | 62.8 | 0 | 0 | 0 | 110.4 | I11 A14 S47 L48 E49 N58 | I11-L51 HydrophobicContact CG1-CD2 3.98Å; I11-L51 HydrophobicContact CG1-CG 4.43Å; A14-L51 HydrophobicContact CB-CD2 4.33Å; S47-L51 VanDerWaalsContact O-CB 3.25Å; S47-L51 WeakPolarHBondContact O-CB 3.36Å; S47-L51 PolarHBondContact O-N 2.96Å; L48-L51 WeakPolarHBondContact O-CB 3.25Å; L48-L51 PolarHBondContact O-N 3.38Å; L48-L51 VanDerWaalsContact O-N 3.15Å; E49-L51 VanDerWaalsContact C-N 3.28Å; E49-L51 PolarHBondContact O-N 2.84Å; L51-N58 PolarHBondContact O-ND2 2.97Å |
| 52 | V | 92.5 | Very high | 91 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.8 | -49.8 | -176.1 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | L48 E49 R54 D55 N58 F59 L62 | L48-V52 HydrophobicContact CD1-CG2 4.15Å; L48-V52 WeakPolarHBondContact O-CG2 3.44Å; L48-V52 PolarHBondContact O-N 2.73Å; E49-V52 PolarHBondContact O-N 3.39Å; V52-R54 PolarHBondContact O-N 3.39Å; V52-D55 PolarHBondContact O-N 2.86Å; V52-D55 VanDerWaalsContact O-N 3.07Å; V52-N58 HydrophobicContact CB-CB 4.17Å; V52-N58 HydrophobicContact CG1-CB 3.96Å; V52-N58 HydrophobicContact CG2-CB 4.19Å; V52-N58 PolarHBondContact O-ND2 2.87Å; V52-F59 HydrophobicContact CG1-CB 4.18Å; V52-F59 HydrophobicContact CG1-CD1 3.47Å; V52-F59 VanDerWaalsContact CG1-CD1 3.47Å; V52-F59 HydrophobicContact CG1-CD2 3.57Å; V52-F59 HydrophobicContact CG1-CE1 3.61Å; V52-F59 HydrophobicContact CG1-CE2 3.74Å; V52-F59 HydrophobicContact CG1-CG 3.45Å; V52-F59 VanDerWaalsContact CG1-CG 3.45Å; V52-F59 HydrophobicContact CG1-CZ 3.75Å; V52-L62 HydrophobicContact CG2-CB 4.18Å; V52-L62 HydrophobicContact CG2-CD2 3.86Å |
| 53 | K | 89.8 | Confident | 92 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 20% | 0.2 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -23.9 | -178.5 | -77.1 | 168.1 | 176.5 | 164.2 | 0 | 115.6 | E49 E50 D55 F59 T283 | E49-K53 VanDerWaalsContact CD-NZ 3.35Å; E49-K53 HydrophobicContact CG-CD 4.28Å; E49-K53 WeakPolarHBondContact O-CG 3.35Å; E49-K53 PolarHBondContact O-N 3.24Å; E49-K53 WeakPolarHBondContact OE1-CE 3.36Å; E49-K53 IonicContact OE1-NZ 2.67Å; E49-K53 PolarHBondContact OE1-NZ 3.2Å; E50-K53 WeakPolarHBondContact OE1-CD 3.36Å; E50-K53 IonicContact OE1-NZ 2.75Å; E50-K53 PolarHBondContact OE1-NZ 3.16Å; K53-D55 VanDerWaalsContact C-N 3.28Å; K53-D55 PolarHBondContact O-N 2.87Å; K53-F59 HydrophobicContact CG-CZ 4.14Å; K53-T283 HydrophobicContact CB-CG2 4.2Å; K53-T283 HydrophobicContact CG-CG2 4.04Å; K53-T283 PolarHBondContact O-OG1 3.49Å |
| 54 | R | 88.3 | Confident | 92.6 | Very high | 174 Ų | 174 | 39.5 Ų | 39.5 | 66% | 0.657 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28.3 | 178.8 | -69.9 | 175.1 | 172.9 | 125.3 | 3.2 | 114.3 | E50 V52 | E50-R54 WeakPolarHBondContact O-CG 3.36Å; E50-R54 PolarHBondContact O-NH1 2.82Å; V52-R54 PolarHBondContact O-N 3.39Å |
| 55 | D | 89.5 | Confident | 92.9 | Very high | 72 Ų | 72 | 38.1 Ų | 38.1 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | trans | -145.1 | 121 | -178.2 | -167.1 | -37.8 | 0 | 0 | 0 | 109.5 | V52 K53 E57 N58 | V52-D55 PolarHBondContact O-N 2.86Å; V52-D55 VanDerWaalsContact O-N 3.07Å; K53-D55 VanDerWaalsContact C-N 3.28Å; K53-D55 PolarHBondContact O-N 2.87Å; D55-E57 PolarHBondContact O-N 3.05Å; D55-E57 VanDerWaalsContact O-N 3.1Å; D55-E57 PolarHBondContact OD1-N 2.93Å; D55-N58 WeakPolarHBondContact CB-ND2 3.14Å; D55-N58 VanDerWaalsContact O-CB 3.31Å; D55-N58 WeakPolarHBondContact O-CB 3.25Å; D55-N58 PolarHBondContact O-N 3.49Å | ||
| 56 | P | 90.6 | Very high | 93.2 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -32 | 175.5 | -32.6 | 39 | 0 | 0 | 0 | 115.5 | N58 F59 P97 L281 | P56-N58 VanDerWaalsContact C-N 3.3Å; P56-N58 PolarHBondContact O-N 3.35Å; P56-F59 PolarHBondContact O-N 2.92Å; P56-P97 HydrophobicContact CB-CB 4.22Å; P56-P97 HydrophobicContact CB-CG 3.91Å; P56-P97 HydrophobicContact CG-CG 4.31Å; P56-L281 HydrophobicContact CB-CB 3.6Å; P56-L281 HydrophobicContact CB-CD1 3.95Å; P56-L281 HydrophobicContact CB-CG 4.43Å; P56-L281 HydrophobicContact CG-CB 3.69Å |
| 57 | E | 90.5 | Very high | 93.6 | Very high | 135 Ų | 135 | 36.1 Ų | 36.1 | 63% | 0.631 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -69.4 | -27.4 | 179.6 | -65.3 | -171.4 | -178.7 | 0 | 0 | 112.5 | D55 F59 L60 I61 | D55-E57 PolarHBondContact O-N 3.05Å; D55-E57 VanDerWaalsContact O-N 3.1Å; D55-E57 PolarHBondContact OD1-N 2.93Å; E57-F59 PolarHBondContact O-N 2.69Å; E57-L60 PolarHBondContact O-N 3.34Å; E57-I61 PolarHBondContact O-N 3.08Å |
| 58 | N | 94.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -26.1 | 179.7 | -68.2 | -25.5 | 0 | 0 | 0 | 113.2 | T7 I11 L51 V52 D55 P56 I61 L62 | T7-N58 WeakPolarHBondContact CG2-OD1 3.34Å; I11-N58 HydrophobicContact CD1-CB 3.79Å; L51-N58 PolarHBondContact O-ND2 2.97Å; V52-N58 HydrophobicContact CB-CB 4.17Å; V52-N58 HydrophobicContact CG1-CB 3.96Å; V52-N58 HydrophobicContact CG2-CB 4.19Å; V52-N58 PolarHBondContact O-ND2 2.87Å; D55-N58 WeakPolarHBondContact CB-ND2 3.14Å; D55-N58 VanDerWaalsContact O-CB 3.31Å; D55-N58 WeakPolarHBondContact O-CB 3.25Å; D55-N58 PolarHBondContact O-N 3.49Å; P56-N58 VanDerWaalsContact C-N 3.3Å; P56-N58 PolarHBondContact O-N 3.35Å; N58-I61 PolarHBondContact O-N 3.42Å; N58-L62 PolarHBondContact O-N 3.42Å |
| 59 | F | 95.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 178.2 | -74.6 | -89.1 | 0 | 0 | 0 | 111 | V52 K53 P56 E57 I61 L62 L63 T92 Q95 T96 P97 T283 | V52-F59 HydrophobicContact CG1-CB 4.18Å; V52-F59 HydrophobicContact CG1-CD1 3.47Å; V52-F59 VanDerWaalsContact CG1-CD1 3.47Å; V52-F59 HydrophobicContact CG1-CD2 3.57Å; V52-F59 HydrophobicContact CG1-CE1 3.61Å; V52-F59 HydrophobicContact CG1-CE2 3.74Å; V52-F59 HydrophobicContact CG1-CG 3.45Å; V52-F59 VanDerWaalsContact CG1-CG 3.45Å; V52-F59 HydrophobicContact CG1-CZ 3.75Å; K53-F59 HydrophobicContact CG-CZ 4.14Å; P56-F59 PolarHBondContact O-N 2.92Å; E57-F59 PolarHBondContact O-N 2.69Å; F59-I61 VanDerWaalsContact C-N 3.34Å; F59-I61 PolarHBondContact O-N 3.42Å; F59-L62 PolarHBondContact O-N 2.94Å; F59-L63 WeakPolarHBondContact O-CG 3.34Å; F59-L63 PolarHBondContact O-N 2.98Å; F59-T92 HydrophobicContact CD1-CG2 4Å; F59-Q95 HydrophobicContact CD1-CB 4.43Å; F59-Q95 HydrophobicContact CE1-CB 3.58Å; F59-Q95 WeakPolarHBondContact CE1-O 3.36Å; F59-Q95 HydrophobicContact CZ-CB 4.17Å; F59-Q95 WeakPolarHBondContact CZ-O 3.17Å; F59-T96 HydrophobicContact CB-CG2 4.04Å; F59-P97 HydrophobicContact CD2-CG 4.18Å; F59-P97 HydrophobicContact CE2-CG 4.19Å; F59-T283 HydrophobicContact CE2-CG2 3.87Å; F59-T283 HydrophobicContact CZ-CG2 3.79Å |
| 60 | L | 95.4 | Very high | 94.4 | Very high | 34 Ų | 34 | 37.9 Ų | 37.9 | 18% | 0.178 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 177.9 | -57.5 | 179.5 | 0 | 0 | 0 | 111.1 | E57 L63 Q64 T96 P100 L105 | E57-L60 PolarHBondContact O-N 3.34Å; L60-L63 PolarHBondContact O-N 3.17Å; L60-Q64 WeakPolarHBondContact O-CG 3.48Å; L60-Q64 PolarHBondContact O-N 3.42Å; L60-T96 HydrophobicContact CD2-CG2 3.92Å; L60-P100 HydrophobicContact CD1-CG 4.33Å; L60-L105 HydrophobicContact CD2-CD2 3.93Å |
| 61 | I | 95.9 | Very high | 94.8 | Very high | 36 Ų | 36 | 40.3 Ų | 40.3 | 19% | 0.185 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 174.6 | -60.1 | 172.4 | 0 | 0 | 0 | 110.7 | T7 E8 I11 E57 N58 F59 Q64 Q65 | T7-I61 HydrophobicContact CG2-CD1 4.43Å; E8-I61 HydrophobicContact CB-CG2 4.31Å; E8-I61 HydrophobicContact CG-CG2 4.05Å; I11-I61 HydrophobicContact CD1-CB 4.04Å; I11-I61 HydrophobicContact CD1-CD1 4.44Å; I11-I61 HydrophobicContact CD1-CG2 3.85Å; E57-I61 PolarHBondContact O-N 3.08Å; N58-I61 PolarHBondContact O-N 3.42Å; F59-I61 VanDerWaalsContact C-N 3.34Å; F59-I61 PolarHBondContact O-N 3.42Å; I61-Q64 PolarHBondContact O-N 3.24Å; I61-Q65 VanDerWaalsContact O-CG 3.29Å; I61-Q65 WeakPolarHBondContact O-CG 3.42Å; I61-Q65 PolarHBondContact O-N 2.98Å |
| 62 | L | 97.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 178.1 | 178.1 | 57.4 | 0 | 0 | 0 | 111.9 | I11 L15 L48 V52 N58 F59 Q64 Q65 I66 T92 | I11-L62 HydrophobicContact CG2-CB 3.85Å; I11-L62 HydrophobicContact CG2-CD1 3.88Å; I11-L62 HydrophobicContact CG2-CG 4.38Å; L15-L62 HydrophobicContact CB-CD1 4.32Å; L15-L62 HydrophobicContact CD1-CD1 4.38Å; L15-L62 HydrophobicContact CD2-CD1 4.38Å; L48-L62 HydrophobicContact CD1-CD1 4.22Å; L48-L62 HydrophobicContact CD1-CD2 4.15Å; L48-L62 HydrophobicContact CD2-CD1 4.08Å; L48-L62 HydrophobicContact CD2-CD2 4.1Å; L48-L62 HydrophobicContact CG-CD2 4.08Å; V52-L62 HydrophobicContact CG2-CB 4.18Å; V52-L62 HydrophobicContact CG2-CD2 3.86Å; N58-L62 PolarHBondContact O-N 3.42Å; F59-L62 PolarHBondContact O-N 2.94Å; L62-Q64 PolarHBondContact O-N 3.46Å; L62-Q65 PolarHBondContact O-N 2.56Å; L62-I66 HydrophobicContact CD1-CD1 3.81Å; L62-I66 HydrophobicContact CD1-CG1 3.92Å; L62-I66 HydrophobicContact CD2-CD1 4.37Å; L62-I66 HydrophobicContact CG-CD1 3.73Å; L62-I66 HydrophobicContact CG-CG1 4.31Å; L62-I66 VanDerWaalsContact O-CG1 3.29Å; L62-I66 WeakPolarHBondContact O-CG1 3.44Å; L62-I66 PolarHBondContact O-N 3.15Å; L62-T92 HydrophobicContact CB-CG2 4.2Å; L62-T92 HydrophobicContact CD2-CG2 3.81Å; L62-T92 WeakPolarHBondContact CD2-OG1 3.45Å; L62-T92 HydrophobicContact CG-CG2 4.05Å |
| 63 | L | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.8 | -47.1 | 176.1 | -69.8 | 173 | 0 | 0 | 0 | 111.4 | F59 L60 Q65 I66 I67 F89 T92 L93 T96 L105 | F59-L63 WeakPolarHBondContact O-CG 3.34Å; F59-L63 PolarHBondContact O-N 2.98Å; L60-L63 PolarHBondContact O-N 3.17Å; L63-Q65 VanDerWaalsContact C-N 3.32Å; L63-Q65 PolarHBondContact O-N 2.97Å; L63-I66 PolarHBondContact O-N 2.88Å; L63-I67 WeakPolarHBondContact O-CG1 3.36Å; L63-I67 PolarHBondContact O-N 3.31Å; L63-F89 HydrophobicContact CB-CE2 4.12Å; L63-F89 HydrophobicContact CD2-CD1 4.18Å; L63-F89 HydrophobicContact CD2-CD2 3.68Å; L63-F89 HydrophobicContact CD2-CE1 4.1Å; L63-F89 HydrophobicContact CD2-CE2 3.58Å; L63-F89 HydrophobicContact CD2-CG 3.99Å; L63-F89 HydrophobicContact CD2-CZ 3.81Å; L63-F89 HydrophobicContact CG-CE2 4.4Å; L63-T92 HydrophobicContact CD2-CG2 3.79Å; L63-T92 HydrophobicContact CG-CG2 3.86Å; L63-L93 HydrophobicContact CD1-CD1 4.31Å; L63-L93 HydrophobicContact CD2-CB 4.19Å; L63-T96 HydrophobicContact CD1-CG2 4.4Å; L63-L105 HydrophobicContact CB-CD2 4.11Å; L63-L105 HydrophobicContact CD1-CD2 4.14Å |
| 64 | Q | 97 | Very high | 95.2 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 35% | 0.346 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59 | -40.8 | 175.3 | -74.4 | 176.2 | -10.2 | 0 | 0 | 112.6 | L60 I61 L62 I67 R68 L105 | L60-Q64 WeakPolarHBondContact O-CG 3.48Å; L60-Q64 PolarHBondContact O-N 3.42Å; I61-Q64 PolarHBondContact O-N 3.24Å; L62-Q64 PolarHBondContact O-N 3.46Å; Q64-I67 PolarHBondContact O-N 2.64Å; Q64-R68 WeakPolarHBondContact O-CB 3.47Å; Q64-R68 PolarHBondContact O-N 2.9Å; Q64-L105 HydrophobicContact CB-CD1 4.48Å; Q64-L105 HydrophobicContact CG-CD1 3.45Å; Q64-L105 VanDerWaalsContact CG-CD1 3.45Å |
| 65 | Q | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.5 | -36.8 | 176.8 | -71.4 | 176.4 | -1.4 | 0 | 0 | 112.9 | E8 L15 I61 L62 L63 R68 K69 | E8-Q65 PolarHBondContact O-NE2 2.68Å; L15-Q65 HydrophobicContact CD2-CB 3.71Å; I61-Q65 VanDerWaalsContact O-CG 3.29Å; I61-Q65 WeakPolarHBondContact O-CG 3.42Å; I61-Q65 PolarHBondContact O-N 2.98Å; L62-Q65 PolarHBondContact O-N 2.56Å; L63-Q65 VanDerWaalsContact C-N 3.32Å; L63-Q65 PolarHBondContact O-N 2.97Å; Q65-R68 PolarHBondContact O-N 3.07Å; Q65-K69 VanDerWaalsContact O-CB 3.28Å; Q65-K69 WeakPolarHBondContact O-CB 3.37Å; Q65-K69 PolarHBondContact O-N 3.39Å |
| 66 | I | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | 174 | -67.7 | 165.1 | 0 | 0 | 0 | 110.3 | L15 L62 L63 K69 T70 L85 M88 F89 | L15-I66 HydrophobicContact CD1-CG1 3.94Å; L15-I66 HydrophobicContact CD2-CG1 4.13Å; L62-I66 HydrophobicContact CD1-CD1 3.81Å; L62-I66 HydrophobicContact CD1-CG1 3.92Å; L62-I66 HydrophobicContact CD2-CD1 4.37Å; L62-I66 HydrophobicContact CG-CD1 3.73Å; L62-I66 HydrophobicContact CG-CG1 4.31Å; L62-I66 VanDerWaalsContact O-CG1 3.29Å; L62-I66 WeakPolarHBondContact O-CG1 3.44Å; L62-I66 PolarHBondContact O-N 3.15Å; L63-I66 PolarHBondContact O-N 2.88Å; I66-K69 PolarHBondContact O-N 3.47Å; I66-T70 VanDerWaalsContact O-CB 3.32Å; I66-T70 WeakPolarHBondContact O-CB 3.15Å; I66-T70 PolarHBondContact O-N 2.97Å; I66-T70 PolarHBondContact O-OG1 3.34Å; I66-L85 HydrophobicContact CG2-CB 4.37Å; I66-L85 HydrophobicContact CG2-CD2 4.03Å; I66-L85 WeakPolarHBondContact CG2-O 3.21Å; I66-M88 HydrophobicContact CD1-CB 3.94Å; I66-F89 HydrophobicContact CB-CD2 4.27Å; I66-F89 HydrophobicContact CG2-CB 3.91Å; I66-F89 HydrophobicContact CG2-CD2 3.93Å; I66-F89 HydrophobicContact CG2-CG 4.43Å |
| 67 | I | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -50.6 | 173.8 | -65.4 | 164.4 | 0 | 0 | 0 | 110.4 | L63 Q64 K69 T70 K71 F89 L105 E108 A109 V112 | L63-I67 WeakPolarHBondContact O-CG1 3.36Å; L63-I67 PolarHBondContact O-N 3.31Å; Q64-I67 PolarHBondContact O-N 2.64Å; I67-K69 VanDerWaalsContact C-N 3.29Å; I67-K69 PolarHBondContact O-N 3.32Å; I67-T70 PolarHBondContact O-N 3.37Å; I67-K71 PolarHBondContact O-N 2.64Å; I67-F89 HydrophobicContact CD1-CE2 3.96Å; I67-F89 HydrophobicContact CG1-CD2 4.34Å; I67-F89 HydrophobicContact CG1-CE2 3.73Å; I67-L105 HydrophobicContact CD1-CD1 3.52Å; I67-L105 HydrophobicContact CD1-CG 4.35Å; I67-E108 HydrophobicContact CG2-CG 3.88Å; I67-A109 HydrophobicContact CD1-CB 3.91Å; I67-A109 HydrophobicContact CG1-CB 4.14Å; I67-V112 HydrophobicContact CG2-CG2 4.05Å |
| 68 | R | 97.3 | Very high | 95.6 | Very high | 108 Ų | 108 | 40.5 Ų | 40.5 | 41% | 0.408 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -52.6 | -46.8 | 175.3 | -170.4 | -172.5 | -60.7 | 168.6 | -0.7 | 111.3 | E8 Q64 Q65 T70 K71 E72 | E8-R68 IonicContact OE1-CZ 3.42Å; E8-R68 VanDerWaalsContact OE1-CZ 3.27Å; E8-R68 IonicContact OE1-NH1 3.7Å; E8-R68 PolarHBondContact OE1-NH1 2.84Å; E8-R68 IonicContact OE1-NH2 2.84Å; E8-R68 PolarHBondContact OE1-NH2 3.34Å; Q64-R68 WeakPolarHBondContact O-CB 3.47Å; Q64-R68 PolarHBondContact O-N 2.9Å; Q65-R68 PolarHBondContact O-N 3.07Å; R68-T70 VanDerWaalsContact C-N 3.35Å; R68-T70 PolarHBondContact O-N 2.86Å; R68-K71 PolarHBondContact O-N 2.93Å; R68-E72 PolarHBondContact O-N 2.91Å; R68-E72 VanDerWaalsContact O-N 3.13Å |
| 69 | K | 97.1 | Very high | 95.3 | Very high | 28 Ų | 28 | 44.2 Ų | 44.2 | 12% | 0.122 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.7 | -28.7 | 179.1 | -159.8 | 55.7 | 161.4 | -163.9 | 0 | 113.7 | L15 D16 L19 Q65 I66 I67 E72 A73 L85 | L15-K69 HydrophobicContact CD2-CB 4.35Å; D16-K69 WeakPolarHBondContact OD1-CE 3.34Å; D16-K69 IonicContact OD1-NZ 3.63Å; D16-K69 PolarHBondContact OD1-NZ 3.13Å; L19-K69 HydrophobicContact CD1-CG 3.77Å; Q65-K69 VanDerWaalsContact O-CB 3.28Å; Q65-K69 WeakPolarHBondContact O-CB 3.37Å; Q65-K69 PolarHBondContact O-N 3.39Å; I66-K69 PolarHBondContact O-N 3.47Å; I67-K69 VanDerWaalsContact C-N 3.29Å; I67-K69 PolarHBondContact O-N 3.32Å; K69-E72 HydrophobicContact CD-CB 4.42Å; K69-E72 VanDerWaalsContact CD-OE2 3.24Å; K69-E72 WeakPolarHBondContact CD-OE2 3.31Å; K69-E72 WeakPolarHBondContact CE-OE2 3.2Å; K69-E72 IonicContact NZ-OE1 3.4Å; K69-E72 IonicContact NZ-OE2 2.71Å; K69-E72 PolarHBondContact NZ-OE2 3.42Å; K69-E72 PolarHBondContact O-N 3.2Å; K69-A73 WeakPolarHBondContact O-CB 3.37Å; K69-A73 PolarHBondContact O-N 3.37Å; K69-L85 HydrophobicContact CB-CD2 3.92Å; K69-L85 HydrophobicContact CG-CD1 4.43Å; K69-L85 HydrophobicContact CG-CD2 3.94Å |
| 70 | T | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.1 | -36.8 | 175 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | I66 I67 R68 A73 Q74 V112 F113 F116 | I66-T70 VanDerWaalsContact O-CB 3.32Å; I66-T70 WeakPolarHBondContact O-CB 3.15Å; I66-T70 PolarHBondContact O-N 2.97Å; I66-T70 PolarHBondContact O-OG1 3.34Å; I67-T70 PolarHBondContact O-N 3.37Å; R68-T70 VanDerWaalsContact C-N 3.35Å; R68-T70 PolarHBondContact O-N 2.86Å; T70-A73 PolarHBondContact O-N 3.27Å; T70-Q74 WeakPolarHBondContact O-CB 3.3Å; T70-Q74 PolarHBondContact O-N 3.35Å; T70-V112 HydrophobicContact CG2-CG1 3.52Å; T70-F113 HydrophobicContact CG2-CD1 4.15Å; T70-F113 HydrophobicContact CG2-CE1 3.68Å; T70-F113 HydrophobicContact CG2-CZ 4.06Å; T70-F116 HydrophobicContact CG2-CE2 3.49Å; T70-F116 VanDerWaalsContact CG2-CE2 3.49Å; T70-F116 HydrophobicContact CG2-CZ 3.69Å |
| 71 | K | 97.2 | Very high | 94.8 | Very high | 75 Ų | 75 | 45.5 Ų | 45.5 | 33% | 0.326 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 168.6 | -66.5 | -179.6 | 178.7 | -178.7 | 0 | 111.3 | I67 R68 A73 Q74 E75 E108 V112 | I67-K71 PolarHBondContact O-N 2.64Å; R68-K71 PolarHBondContact O-N 2.93Å; K71-A73 VanDerWaalsContact C-N 3.3Å; K71-A73 PolarHBondContact O-N 3.09Å; K71-Q74 WeakPolarHBondContact O-CB 3.49Å; K71-Q74 PolarHBondContact O-N 2.96Å; K71-E75 WeakPolarHBondContact O-CG 3.37Å; K71-E75 PolarHBondContact O-N 3.28Å; K71-E108 WeakPolarHBondContact CE-OE1 3.28Å; K71-E108 IonicContact NZ-OE1 2.76Å; K71-E108 PolarHBondContact NZ-OE1 3.31Å; K71-V112 HydrophobicContact CD-CG2 4.09Å; K71-V112 HydrophobicContact CG-CG1 4.2Å; K71-V112 HydrophobicContact CG-CG2 3.72Å |
| 72 | E | 95.4 | Very high | 94.6 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 28% | 0.28 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.9 | -42.4 | 173.2 | -71.8 | 175.1 | -143.1 | 0 | 0 | 112.7 | R68 K69 Q76 | R68-E72 PolarHBondContact O-N 2.91Å; R68-E72 VanDerWaalsContact O-N 3.13Å; K69-E72 HydrophobicContact CD-CB 4.42Å; K69-E72 VanDerWaalsContact CD-OE2 3.24Å; K69-E72 WeakPolarHBondContact CD-OE2 3.31Å; K69-E72 WeakPolarHBondContact CE-OE2 3.2Å; K69-E72 IonicContact NZ-OE1 3.4Å; K69-E72 IonicContact NZ-OE2 2.71Å; K69-E72 PolarHBondContact NZ-OE2 3.42Å; K69-E72 PolarHBondContact O-N 3.2Å; E72-Q76 WeakPolarHBondContact O-CB 3.45Å; E72-Q76 WeakPolarHBondContact O-CG 3.44Å; E72-Q76 PolarHBondContact O-N 2.93Å; E72-Q76 VanDerWaalsContact O-N 3.12Å |
| 73 | A | 93.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.4 | -36.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K69 T70 K71 C77 Q78 L81 L85 | K69-A73 WeakPolarHBondContact O-CB 3.37Å; K69-A73 PolarHBondContact O-N 3.37Å; T70-A73 PolarHBondContact O-N 3.27Å; K71-A73 VanDerWaalsContact C-N 3.3Å; K71-A73 PolarHBondContact O-N 3.09Å; A73-C77 PolarHBondContact O-N 2.74Å; A73-C77 VanDerWaalsContact O-N 3.08Å; A73-Q78 HydrophobicContact CB-CB 4.14Å; A73-Q78 PolarHBondContact O-N 2.92Å; A73-L81 HydrophobicContact CB-CB 4.21Å; A73-L81 HydrophobicContact CB-CD1 4.42Å; A73-L85 HydrophobicContact CB-CD1 3.97Å |
| 74 | Q | 94 | Very high | 94.3 | Very high | 72 Ų | 72 | 44 Ų | 44 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.6 | -52 | 174.3 | -168.5 | -169.1 | -15.3 | 0 | 0 | 111.1 | T70 K71 Q76 C77 S115 F116 | T70-Q74 WeakPolarHBondContact O-CB 3.3Å; T70-Q74 PolarHBondContact O-N 3.35Å; K71-Q74 WeakPolarHBondContact O-CB 3.49Å; K71-Q74 PolarHBondContact O-N 2.96Å; Q74-Q76 VanDerWaalsContact C-N 3.27Å; Q74-Q76 PolarHBondContact O-N 3.01Å; Q74-C77 PolarHBondContact O-N 2.66Å; Q74-S115 VanDerWaalsContact CD-OG 3.26Å; Q74-S115 PolarHBondContact NE2-OG 3Å; Q74-S115 PolarHBondContact OE1-OG 3.28Å; Q74-F116 HydrophobicContact CB-CE1 4.33Å; Q74-F116 HydrophobicContact CB-CE2 4.37Å; Q74-F116 HydrophobicContact CB-CZ 3.7Å; Q74-F116 HydrophobicContact CG-CZ 4.11Å |
| 75 | E | 93.9 | Very high | 94.3 | Very high | 158 Ų | 158 | 40.5 Ų | 40.5 | 74% | 0.738 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -61.3 | -34.2 | -179.1 | -72.2 | 177.8 | -178.6 | 0 | 0 | 112.9 | K71 | K71-E75 WeakPolarHBondContact O-CG 3.37Å; K71-E75 PolarHBondContact O-N 3.28Å |
| 76 | Q | 93.4 | Very high | 94.2 | Very high | 94 Ų | 94 | 40.5 Ų | 40.5 | 44% | 0.439 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 9.5 | -178 | -62.5 | -178.8 | 43.5 | 0 | 0 | 113.8 | E72 Q74 Q78 | E72-Q76 WeakPolarHBondContact O-CB 3.45Å; E72-Q76 WeakPolarHBondContact O-CG 3.44Å; E72-Q76 PolarHBondContact O-N 2.93Å; E72-Q76 VanDerWaalsContact O-N 3.12Å; Q74-Q76 VanDerWaalsContact C-N 3.27Å; Q74-Q76 PolarHBondContact O-N 3.01Å; Q76-Q78 VanDerWaalsContact C-N 3.31Å; Q76-Q78 HydrophobicContact CB-CG 3.83Å; Q76-Q78 PolarHBondContact O-N 3.14Å |
| 77 | C | 91.1 | Very high | 94.1 | Very high | 73 Ų | 73 | 41 Ų | 41 | 49% | 0.493 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 43.7 | -178.8 | -61 | 0 | 0 | 0 | 0 | 114.2 | A73 Q74 Y79 | A73-C77 PolarHBondContact O-N 2.74Å; A73-C77 VanDerWaalsContact O-N 3.08Å; Q74-C77 PolarHBondContact O-N 2.66Å; C77-Y79 HydrophobicContact CB-CE2 4.3Å; C77-Y79 WeakPolarHBondContact O-CD2 3.22Å; C77-Y79 PolarHBondContact O-N 3.48Å |
| 78 | Q | 89.9 | Confident | 94 | Very high | 15 Ų | 15 | 41.2 Ų | 41.2 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | trans | -87.5 | 76.8 | -177 | -56 | -171.9 | 33.2 | 0 | 0 | 111.8 | R23 A73 Q76 E80 L81 | R23-Q78 VanDerWaalsContact CZ-CD 3.43Å; A73-Q78 HydrophobicContact CB-CB 4.14Å; A73-Q78 PolarHBondContact O-N 2.92Å; Q76-Q78 VanDerWaalsContact C-N 3.31Å; Q76-Q78 HydrophobicContact CB-CG 3.83Å; Q76-Q78 PolarHBondContact O-N 3.14Å; Q78-E80 PolarHBondContact O-N 3.1Å; Q78-L81 HydrophobicContact CB-CB 4.48Å; Q78-L81 HydrophobicContact CB-CD1 4.42Å; Q78-L81 HydrophobicContact CB-CG 4.13Å; Q78-L81 PolarHBondContact O-N 3.4Å; Q78-L81 VanDerWaalsContact O-N 3.13Å | ||
| 79 | Y | 88.6 | Confident | 94.1 | Very high | 92 Ų | 92 | 36 Ų | 36 | 36% | 0.361 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -48.7 | -40 | 177.2 | -67 | -86.3 | 0 | 0 | 0 | 113.2 | C77 L81 V82 W119 P120 Y123 | C77-Y79 HydrophobicContact CB-CE2 4.3Å; C77-Y79 WeakPolarHBondContact O-CD2 3.22Å; C77-Y79 PolarHBondContact O-N 3.48Å; Y79-L81 PolarHBondContact O-N 3.35Å; Y79-L81 VanDerWaalsContact O-N 3.14Å; Y79-V82 PolarHBondContact O-N 3.02Å; Y79-W119 HydrophobicContact CD1-CD2 4.38Å; Y79-W119 AromaticContact CD1-CE3 3.34Å; Y79-W119 HydrophobicContact CD1-CE3 3.34Å; Y79-W119 AromaticContact CD1-CZ3 3.52Å; Y79-W119 HydrophobicContact CD1-CZ3 3.52Å; Y79-W119 HydrophobicContact CD2-CZ3 4.38Å; Y79-W119 AromaticContact CE1-CD2 3.93Å; Y79-W119 HydrophobicContact CE1-CD2 3.93Å; Y79-W119 AromaticContact CE1-CE3 3.3Å; Y79-W119 HydrophobicContact CE1-CE3 3.3Å; Y79-W119 AromaticContact CE1-CZ3 3.68Å; Y79-W119 HydrophobicContact CE1-CZ3 3.68Å; Y79-W119 HydrophobicContact CG-CE3 4.19Å; Y79-W119 AromaticContact CG-CZ3 3.9Å; Y79-W119 HydrophobicContact CG-CZ3 3.9Å; Y79-P120 HydrophobicContact CE1-CG 4.26Å; Y79-Y123 AromaticContact CD1-CD2 3.86Å; Y79-Y123 HydrophobicContact CD1-CD2 3.86Å; Y79-Y123 AromaticContact CD1-CE2 3.65Å; Y79-Y123 HydrophobicContact CD1-CE2 3.65Å; Y79-Y123 HydrophobicContact CD1-CG 4.49Å; Y79-Y123 HydrophobicContact CG-CE2 4.34Å; Y79-Y123 WeakPolarHBondContact O-CE1 3.4Å |
| 80 | E | 86.5 | Confident | 94.1 | Very high | 57 Ų | 57 | 35.9 Ų | 35.9 | 27% | 0.266 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.2 | -19.7 | -175.2 | -43.7 | 93.5 | 138.4 | 0 | 0 | 113.3 | L22 Q78 | L22-E80 HydrophobicContact CB-CB 4.4Å; Q78-E80 PolarHBondContact O-N 3.1Å |
| 81 | L | 92.1 | Very high | 94 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -94.2 | -21.4 | 178.7 | -58.5 | -162.7 | 0 | 0 | 0 | 113.9 | L19 L22 A73 Q78 Y79 A83 P84 L85 | L19-L81 HydrophobicContact CB-CD2 4.2Å; L19-L81 HydrophobicContact CD2-CD2 4.38Å; L22-L81 HydrophobicContact CB-CD2 3.62Å; L22-L81 HydrophobicContact CD1-CD2 3.49Å; L22-L81 VanDerWaalsContact CD1-CD2 3.49Å; L22-L81 HydrophobicContact CG-CD2 4.19Å; A73-L81 HydrophobicContact CB-CB 4.21Å; A73-L81 HydrophobicContact CB-CD1 4.42Å; Q78-L81 HydrophobicContact CB-CB 4.48Å; Q78-L81 HydrophobicContact CB-CD1 4.42Å; Q78-L81 HydrophobicContact CB-CG 4.13Å; Q78-L81 PolarHBondContact O-N 3.4Å; Q78-L81 VanDerWaalsContact O-N 3.13Å; Y79-L81 PolarHBondContact O-N 3.35Å; Y79-L81 VanDerWaalsContact O-N 3.14Å; L81-A83 PolarHBondContact O-N 3.15Å; L81-P84 WeakPolarHBondContact O-CD 3.43Å; L81-L85 HydrophobicContact CB-CD1 3.74Å; L81-L85 HydrophobicContact CB-CG 4.32Å; L81-L85 VanDerWaalsContact O-CB 3.3Å; L81-L85 WeakPolarHBondContact O-CB 3.39Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.3Å; L81-L85 PolarHBondContact O-N 3.35Å |
| 82 | V | 93.5 | Very high | 94 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -50.7 | -166 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | Y79 L85 A86 F116 W119 Y123 | Y79-V82 PolarHBondContact O-N 3.02Å; V82-L85 PolarHBondContact O-N 3.25Å; V82-A86 WeakPolarHBondContact O-CB 3.29Å; V82-A86 PolarHBondContact O-N 2.8Å; V82-F116 HydrophobicContact CB-CD1 4.34Å; V82-F116 HydrophobicContact CB-CE1 4.34Å; V82-F116 HydrophobicContact CG1-CB 4.41Å; V82-F116 HydrophobicContact CG1-CD1 3.54Å; V82-F116 HydrophobicContact CG1-CE1 3.89Å; V82-F116 HydrophobicContact CG1-CG 3.96Å; V82-F116 HydrophobicContact CG2-CD1 3.76Å; V82-F116 HydrophobicContact CG2-CE1 3.47Å; V82-F116 VanDerWaalsContact CG2-CE1 3.47Å; V82-F116 HydrophobicContact CG2-CZ 4.4Å; V82-W119 HydrophobicContact CG2-CE3 4.04Å; V82-W119 HydrophobicContact CG2-CH2 4.28Å; V82-W119 HydrophobicContact CG2-CZ3 3.58Å; V82-Y123 HydrophobicContact CB-CD1 4.07Å |
| 83 | A | 93.1 | Very high | 94 | Very high | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.017 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.2 | -45 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L81 L85 A86 I87 V126 | L81-A83 PolarHBondContact O-N 3.15Å; A83-L85 PolarHBondContact O-N 3.2Å; A83-A86 PolarHBondContact O-N 2.98Å; A83-I87 WeakPolarHBondContact O-CB 3.28Å; A83-I87 VanDerWaalsContact O-CG1 3.24Å; A83-I87 WeakPolarHBondContact O-CG1 3.47Å; A83-I87 PolarHBondContact O-N 3.07Å; A83-V126 HydrophobicContact CB-CG1 4.25Å; A83-V126 HydrophobicContact CB-CG2 4.32Å |
| 84 | P | 94.5 | Very high | 94.1 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 5% | 0.045 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -52.7 | -47 | 169.2 | -32.9 | 39 | 0 | 0 | 0 | 114.5 | L19 L22 L81 I87 M88 W613 | L19-P84 HydrophobicContact CD2-CB 4.05Å; L22-P84 HydrophobicContact CD1-CB 3.98Å; L22-P84 HydrophobicContact CD1-CG 3.79Å; L22-P84 HydrophobicContact CD2-CG 4.47Å; L81-P84 WeakPolarHBondContact O-CD 3.43Å; P84-I87 PolarHBondContact O-N 2.91Å; P84-M88 VanDerWaalsContact O-CB 3.31Å; P84-M88 WeakPolarHBondContact O-CB 3.3Å; P84-M88 VanDerWaalsContact O-CG 3.24Å; P84-M88 WeakPolarHBondContact O-CG 3.33Å; P84-M88 PolarHBondContact O-N 3.28Å; P84-W613 HydrophobicContact CB-CD2 3.93Å; P84-W613 HydrophobicContact CB-CE3 3.65Å; P84-W613 HydrophobicContact CB-CH2 4.38Å; P84-W613 HydrophobicContact CB-CZ3 3.89Å; P84-W613 HydrophobicContact CG-CB 4.32Å; P84-W613 HydrophobicContact CG-CD2 4.05Å; P84-W613 HydrophobicContact CG-CE3 3.77Å; P84-W613 HydrophobicContact CG-CG 4.31Å; P84-W613 HydrophobicContact CG-CZ3 4.44Å |
| 85 | L | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.5 | -45.8 | 179.3 | -75.3 | 166.5 | 0 | 0 | 0 | 111.8 | L19 I66 K69 A73 L81 V82 A83 I87 M88 F89 | L19-L85 HydrophobicContact CD1-CD2 3.75Å; L19-L85 HydrophobicContact CD1-CG 4.4Å; L19-L85 HydrophobicContact CD2-CD2 4.38Å; L19-L85 HydrophobicContact CD2-CG 4.4Å; I66-L85 HydrophobicContact CG2-CB 4.37Å; I66-L85 HydrophobicContact CG2-CD2 4.03Å; I66-L85 WeakPolarHBondContact CG2-O 3.21Å; K69-L85 HydrophobicContact CB-CD2 3.92Å; K69-L85 HydrophobicContact CG-CD1 4.43Å; K69-L85 HydrophobicContact CG-CD2 3.94Å; A73-L85 HydrophobicContact CB-CD1 3.97Å; L81-L85 HydrophobicContact CB-CD1 3.74Å; L81-L85 HydrophobicContact CB-CG 4.32Å; L81-L85 VanDerWaalsContact O-CB 3.3Å; L81-L85 WeakPolarHBondContact O-CB 3.39Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.3Å; L81-L85 PolarHBondContact O-N 3.35Å; V82-L85 PolarHBondContact O-N 3.25Å; A83-L85 PolarHBondContact O-N 3.2Å; L85-I87 PolarHBondContact O-N 3.31Å; L85-M88 PolarHBondContact O-N 3.12Å; L85-F89 WeakPolarHBondContact O-CB 3.32Å; L85-F89 PolarHBondContact O-N 3.07Å |
| 86 | A | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V82 A83 F89 T90 F113 V126 L130 | V82-A86 WeakPolarHBondContact O-CB 3.29Å; V82-A86 PolarHBondContact O-N 2.8Å; A83-A86 PolarHBondContact O-N 2.98Å; A86-F89 WeakPolarHBondContact O-CB 3.4Å; A86-F89 PolarHBondContact O-N 2.99Å; A86-T90 WeakPolarHBondContact O-CB 3.23Å; A86-T90 PolarHBondContact O-N 3.46Å; A86-T90 PolarHBondContact O-OG1 2.72Å; A86-F113 HydrophobicContact CB-CD1 4.46Å; A86-F113 HydrophobicContact CB-CE1 3.93Å; A86-V126 HydrophobicContact CB-CG1 3.86Å; A86-L130 HydrophobicContact CB-CD2 3.81Å |
| 87 | I | 95.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 17.5 Ų | 17.5 | 5% | 0.051 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67 | -40 | 178.6 | -68.8 | 169.8 | 0 | 0 | 0 | 111.5 | A83 P84 L85 F89 T90 S91 V126 Y658 Y662 F874 | A83-I87 WeakPolarHBondContact O-CB 3.28Å; A83-I87 VanDerWaalsContact O-CG1 3.24Å; A83-I87 WeakPolarHBondContact O-CG1 3.47Å; A83-I87 PolarHBondContact O-N 3.07Å; P84-I87 PolarHBondContact O-N 2.91Å; L85-I87 PolarHBondContact O-N 3.31Å; I87-F89 VanDerWaalsContact C-N 3.35Å; I87-T90 PolarHBondContact O-N 3.24Å; I87-S91 WeakPolarHBondContact O-CB 3.46Å; I87-S91 PolarHBondContact O-N 2.64Å; I87-S91 PolarHBondContact O-OG 2.85Å; I87-S91 VanDerWaalsContact O-OG 3.11Å; I87-V126 HydrophobicContact CG1-CG1 4.37Å; I87-Y658 WeakPolarHBondContact CG2-OH 3.28Å; I87-Y662 HydrophobicContact CG2-CG 4.47Å; I87-F874 HydrophobicContact CD1-CB 3.73Å; I87-F874 HydrophobicContact CD1-CD1 4.29Å; I87-F874 HydrophobicContact CD1-CG 4.47Å |
| 88 | M | 96.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 173.4 | -76 | -176.3 | 65.9 | 0 | 0 | 111.1 | L15 C18 L19 L48 I66 P84 L85 S91 T92 W613 | L15-M88 HydrophobicContact CD1-CE 3.45Å; L15-M88 VanDerWaalsContact CD1-CE 3.45Å; L15-M88 HydrophobicContact CD1-SD 4.16Å; C18-M88 HydrophobicContact CB-CE 4.05Å; C18-M88 HydrophobicContact CB-SD 4.04Å; L19-M88 HydrophobicContact CD2-SD 4.29Å; L48-M88 HydrophobicContact CD2-CE 3.42Å; L48-M88 VanDerWaalsContact CD2-CE 3.42Å; I66-M88 HydrophobicContact CD1-CB 3.94Å; P84-M88 VanDerWaalsContact O-CB 3.31Å; P84-M88 WeakPolarHBondContact O-CB 3.3Å; P84-M88 VanDerWaalsContact O-CG 3.24Å; P84-M88 WeakPolarHBondContact O-CG 3.33Å; P84-M88 PolarHBondContact O-N 3.28Å; L85-M88 PolarHBondContact O-N 3.12Å; M88-S91 PolarHBondContact O-N 2.84Å; M88-S91 PolarHBondContact O-OG 2.9Å; M88-T92 WeakPolarHBondContact O-CB 3.14Å; M88-T92 PolarHBondContact O-N 3.37Å; M88-T92 PolarHBondContact O-OG1 3.12Å; M88-W613 HydrophobicContact CG-CH2 4.18Å; M88-W613 HydrophobicContact CG-CZ2 3.8Å; M88-W613 HydrophobicContact SD-CH2 3.67Å; M88-W613 HydrophobicContact SD-CZ2 3.94Å |
| 89 | F | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59 | -53.9 | 175 | -166.2 | -81.1 | 0 | 0 | 0 | 111 | L63 I66 I67 L85 A86 I87 S91 T92 L93 A109 F113 L130 L134 | L63-F89 HydrophobicContact CB-CE2 4.12Å; L63-F89 HydrophobicContact CD2-CD1 4.18Å; L63-F89 HydrophobicContact CD2-CD2 3.68Å; L63-F89 HydrophobicContact CD2-CE1 4.1Å; L63-F89 HydrophobicContact CD2-CE2 3.58Å; L63-F89 HydrophobicContact CD2-CG 3.99Å; L63-F89 HydrophobicContact CD2-CZ 3.81Å; L63-F89 HydrophobicContact CG-CE2 4.4Å; I66-F89 HydrophobicContact CB-CD2 4.27Å; I66-F89 HydrophobicContact CG2-CB 3.91Å; I66-F89 HydrophobicContact CG2-CD2 3.93Å; I66-F89 HydrophobicContact CG2-CG 4.43Å; I67-F89 HydrophobicContact CD1-CE2 3.96Å; I67-F89 HydrophobicContact CG1-CD2 4.34Å; I67-F89 HydrophobicContact CG1-CE2 3.73Å; L85-F89 WeakPolarHBondContact O-CB 3.32Å; L85-F89 PolarHBondContact O-N 3.07Å; A86-F89 WeakPolarHBondContact O-CB 3.4Å; A86-F89 PolarHBondContact O-N 2.99Å; I87-F89 VanDerWaalsContact C-N 3.35Å; F89-S91 VanDerWaalsContact C-N 3.34Å; F89-S91 PolarHBondContact O-N 3.29Å; F89-T92 PolarHBondContact O-N 3.15Å; F89-T92 VanDerWaalsContact O-N 3.08Å; F89-L93 HydrophobicContact CD1-CB 4.42Å; F89-L93 HydrophobicContact CE1-CB 4.27Å; F89-L93 HydrophobicContact CE1-CD2 3.94Å; F89-L93 WeakPolarHBondContact O-CB 3.48Å; F89-L93 PolarHBondContact O-N 3.02Å; F89-A109 HydrophobicContact CE1-CB 4.2Å; F89-A109 HydrophobicContact CE2-CB 3.88Å; F89-A109 HydrophobicContact CZ-CB 3.45Å; F89-A109 VanDerWaalsContact CZ-CB 3.45Å; F89-F113 HydrophobicContact CB-CE2 4.26Å; F89-F113 HydrophobicContact CB-CZ 4.16Å; F89-F113 HydrophobicContact CD1-CE2 4.41Å; F89-F113 AromaticContact CD2-CE2 3.93Å; F89-F113 HydrophobicContact CD2-CE2 3.93Å; F89-F113 HydrophobicContact CD2-CZ 4.43Å; F89-F113 HydrophobicContact CE2-CE2 4.4Å; F89-F113 AromaticContact CG-CE2 3.93Å; F89-F113 HydrophobicContact CG-CE2 3.93Å; F89-F113 HydrophobicContact CG-CZ 4.32Å; F89-L130 HydrophobicContact CB-CD2 4.17Å; F89-L130 HydrophobicContact CD1-CD1 3.61Å; F89-L130 HydrophobicContact CD1-CD2 4.17Å; F89-L130 HydrophobicContact CE1-CD1 4.19Å; F89-L130 HydrophobicContact CG-CD2 4.38Å; F89-L134 HydrophobicContact CE1-CD1 4.47Å; F89-L134 HydrophobicContact CE1-CD2 3.79Å; F89-L134 HydrophobicContact CE1-CG 4.34Å; F89-L134 HydrophobicContact CZ-CD2 4.21Å |
| 90 | T | 97.1 | Very high | 94.4 | Very high | 25 Ų | 25 | 13.7 Ų | 13.7 | 15% | 0.153 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -49.1 | -52 | 174.7 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | A86 I87 T92 L94 M133 Y662 | A86-T90 WeakPolarHBondContact O-CB 3.23Å; A86-T90 PolarHBondContact O-N 3.46Å; A86-T90 PolarHBondContact O-OG1 2.72Å; I87-T90 PolarHBondContact O-N 3.24Å; T90-T92 VanDerWaalsContact C-N 3.28Å; T90-T92 PolarHBondContact O-N 2.65Å; T90-L94 VanDerWaalsContact O-CB 3.28Å; T90-L94 WeakPolarHBondContact O-CB 3.36Å; T90-L94 PolarHBondContact O-N 3.47Å; T90-M133 HydrophobicContact CG2-CE 3.76Å; T90-M133 HydrophobicContact CG2-SD 3.89Å; T90-Y662 HydrophobicContact CG2-CD1 4.19Å; T90-Y662 HydrophobicContact CG2-CE1 4.15Å |
| 91 | S | 95.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 13.7 Ų | 13.7 | 8% | 0.077 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -71.2 | -18.8 | -177.4 | 68.6 | 0 | 0 | 0 | 0 | 115 | I87 M88 F89 Q95 Y662 | I87-S91 WeakPolarHBondContact O-CB 3.46Å; I87-S91 PolarHBondContact O-N 2.64Å; I87-S91 PolarHBondContact O-OG 2.85Å; I87-S91 VanDerWaalsContact O-OG 3.11Å; M88-S91 PolarHBondContact O-N 2.84Å; M88-S91 PolarHBondContact O-OG 2.9Å; F89-S91 VanDerWaalsContact C-N 3.34Å; F89-S91 PolarHBondContact O-N 3.29Å; S91-Q95 PolarHBondContact O-NE2 3.23Å; S91-Y662 WeakPolarHBondContact CA-OH 3.25Å; S91-Y662 WeakPolarHBondContact CB-OH 3.35Å |
| 92 | T | 97 | Very high | 93.6 | Very high | 11 Ų | 11 | 20.6 Ų | 20.6 | 7% | 0.067 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -87.2 | -47.8 | 175.4 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | F59 L62 L63 M88 F89 T90 L94 Q95 T96 | F59-T92 HydrophobicContact CD1-CG2 4Å; L62-T92 HydrophobicContact CB-CG2 4.2Å; L62-T92 HydrophobicContact CD2-CG2 3.81Å; L62-T92 WeakPolarHBondContact CD2-OG1 3.45Å; L62-T92 HydrophobicContact CG-CG2 4.05Å; L63-T92 HydrophobicContact CD2-CG2 3.79Å; L63-T92 HydrophobicContact CG-CG2 3.86Å; M88-T92 WeakPolarHBondContact O-CB 3.14Å; M88-T92 PolarHBondContact O-N 3.37Å; M88-T92 PolarHBondContact O-OG1 3.12Å; F89-T92 PolarHBondContact O-N 3.15Å; F89-T92 VanDerWaalsContact O-N 3.08Å; T90-T92 VanDerWaalsContact C-N 3.28Å; T90-T92 PolarHBondContact O-N 2.65Å; T92-L94 VanDerWaalsContact C-N 3.32Å; T92-L94 PolarHBondContact O-N 3.41Å; T92-Q95 CarbonylContact O-C 3.54Å; T92-Q95 PolarHBondContact O-N 3.14Å; T92-Q95 VanDerWaalsContact O-N 3.13Å; T92-T96 PolarHBondContact O-N 3.02Å; T92-T96 VanDerWaalsContact O-N 3.08Å; T92-T96 PolarHBondContact O-OG1 3.16Å |
| 93 | L | 96.7 | Very high | 92.9 | Very high | 11 Ų | 11 | 23.3 Ų | 23.3 | 6% | 0.058 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.3 | -44.4 | 178.4 | 178.9 | 59 | 0 | 0 | 0 | 110.9 | L63 F89 Q95 T96 L106 L134 E137 | L63-L93 HydrophobicContact CD1-CD1 4.31Å; L63-L93 HydrophobicContact CD2-CB 4.19Å; F89-L93 HydrophobicContact CD1-CB 4.42Å; F89-L93 HydrophobicContact CE1-CB 4.27Å; F89-L93 HydrophobicContact CE1-CD2 3.94Å; F89-L93 WeakPolarHBondContact O-CB 3.48Å; F89-L93 PolarHBondContact O-N 3.02Å; L93-Q95 PolarHBondContact O-N 3.42Å; L93-Q95 VanDerWaalsContact O-N 3.12Å; L93-T96 WeakPolarHBondContact CA-OG1 3.29Å; L93-T96 VanDerWaalsContact O-CB 3.32Å; L93-T96 WeakPolarHBondContact O-CB 3.33Å; L93-T96 PolarHBondContact O-N 2.69Å; L93-T96 PolarHBondContact O-OG1 3.33Å; L93-L106 HydrophobicContact CD1-CD2 3.86Å; L93-L106 HydrophobicContact CD2-CD2 4.25Å; L93-L134 HydrophobicContact CD2-CD2 4.07Å; L93-E137 HydrophobicContact CD2-CB 4.41Å; L93-E137 HydrophobicContact CD2-CG 4.11Å |
| 94 | L | 95.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -29.4 | 177.5 | -171.7 | 73.6 | 0 | 0 | 0 | 113.8 | T90 T92 S144 F145 L148 L286 Y662 | T90-L94 VanDerWaalsContact O-CB 3.28Å; T90-L94 WeakPolarHBondContact O-CB 3.36Å; T90-L94 PolarHBondContact O-N 3.47Å; T92-L94 VanDerWaalsContact C-N 3.32Å; T92-L94 PolarHBondContact O-N 3.41Å; L94-S144 VanDerWaalsContact CD1-C 3.42Å; L94-F145 HydrophobicContact CD1-CB 4.31Å; L94-F145 WeakPolarHBondContact O-CD2 3.28Å; L94-L148 HydrophobicContact CD2-CD2 3.67Å; L94-L286 HydrophobicContact CD2-CD1 3.99Å; L94-L286 HydrophobicContact CD2-CD2 4.41Å; L94-Y662 HydrophobicContact CD2-CE1 4.2Å; L94-Y662 VanDerWaalsContact CD2-OH 3.32Å; L94-Y662 WeakPolarHBondContact CD2-OH 3.35Å |
| 95 | Q | 92.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 30.1 Ų | 30.1 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 2.7 | 179.3 | -68.9 | -171.9 | 89.7 | 0 | 0 | 113.1 | E49 F59 S91 T92 L93 P97 L286 | E49-Q95 PolarHBondContact OE1-NE2 3.06Å; F59-Q95 HydrophobicContact CD1-CB 4.43Å; F59-Q95 HydrophobicContact CE1-CB 3.58Å; F59-Q95 WeakPolarHBondContact CE1-O 3.36Å; F59-Q95 HydrophobicContact CZ-CB 4.17Å; F59-Q95 WeakPolarHBondContact CZ-O 3.17Å; S91-Q95 PolarHBondContact O-NE2 3.23Å; T92-Q95 CarbonylContact O-C 3.54Å; T92-Q95 PolarHBondContact O-N 3.14Å; T92-Q95 VanDerWaalsContact O-N 3.13Å; L93-Q95 PolarHBondContact O-N 3.42Å; L93-Q95 VanDerWaalsContact O-N 3.12Å; Q95-P97 VanDerWaalsContact O-CD 3.28Å; Q95-P97 WeakPolarHBondContact O-CD 3.25Å; Q95-L286 HydrophobicContact CG-CD1 3.72Å; Q95-L286 HydrophobicContact CG-CG 4.25Å |
| 96 | T | 95.2 | Very high | 92.4 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | trans | -72.4 | 117.1 | -176 | -66.2 | 0 | 0 | 0 | 0 | 110.5 | F59 L60 L63 T92 L93 Y98 | F59-T96 HydrophobicContact CB-CG2 4.04Å; L60-T96 HydrophobicContact CD2-CG2 3.92Å; L63-T96 HydrophobicContact CD1-CG2 4.4Å; T92-T96 PolarHBondContact O-N 3.02Å; T92-T96 VanDerWaalsContact O-N 3.08Å; T92-T96 PolarHBondContact O-OG1 3.16Å; L93-T96 WeakPolarHBondContact CA-OG1 3.29Å; L93-T96 VanDerWaalsContact O-CB 3.32Å; L93-T96 WeakPolarHBondContact O-CB 3.33Å; L93-T96 PolarHBondContact O-N 2.69Å; L93-T96 PolarHBondContact O-OG1 3.33Å; T96-Y98 VanDerWaalsContact C-N 3.3Å; T96-Y98 PolarHBondContact O-N 3.42Å | ||
| 97 | P | 93.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -61.7 | -32 | -170.6 | -31.3 | 41.1 | 0 | 0 | 0 | 115.4 | P56 F59 Q95 Q206 L281 | P56-P97 HydrophobicContact CB-CB 4.22Å; P56-P97 HydrophobicContact CB-CG 3.91Å; P56-P97 HydrophobicContact CG-CG 4.31Å; F59-P97 HydrophobicContact CD2-CG 4.18Å; F59-P97 HydrophobicContact CE2-CG 4.19Å; Q95-P97 VanDerWaalsContact O-CD 3.28Å; Q95-P97 WeakPolarHBondContact O-CD 3.25Å; P97-Q206 WeakPolarHBondContact O-CG 3.43Å; P97-Q206 PolarHBondContact O-NE2 2.89Å; P97-L281 HydrophobicContact CB-CB 4.38Å |
| 98 | Y | 94.1 | Very high | 92.3 | Very high | 50 Ų | 50 | 37 Ų | 37 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | trans | -162.7 | 137 | 176.6 | 173.4 | -114.4 | 0 | 0 | 0 | 109.5 | T96 P100 P101 Q206 S207 G210 | T96-Y98 VanDerWaalsContact C-N 3.3Å; T96-Y98 PolarHBondContact O-N 3.42Å; Y98-P100 HydrophobicContact CD1-CG 4.04Å; Y98-P100 HydrophobicContact CE1-CB 3.79Å; Y98-P100 HydrophobicContact CE1-CG 3.74Å; Y98-P101 WeakPolarHBondContact OH-CD 3.42Å; Y98-Q206 VanDerWaalsContact CD2-O 3.27Å; Y98-Q206 WeakPolarHBondContact CD2-O 3.37Å; Y98-S207 WeakPolarHBondContact CD2-O 3.32Å; Y98-G210 VanDerWaalsContact CD2-CA 3.46Å | ||
| 99 | C | 92.3 | Very high | 92.3 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 11% | 0.108 | 19% | 0.194 | C | C | . | . | trans | -112.6 | 112.5 | 169.8 | -169.4 | 0 | 0 | 0 | 0 | 109.6 | R253 | C99-R253 PolarHBondContact O-NH2 3.46Š| ||
| 100 | P | 88.8 | Confident | 92.2 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 22% | 0.221 | 20% | 0.203 | C | C | . | . | trans | -66.8 | 135.6 | 179.5 | -9.5 | 22.2 | 0 | 0 | 0 | 110.8 | L60 Y98 D102 T103 | L60-P100 HydrophobicContact CD1-CG 4.33Å; Y98-P100 HydrophobicContact CD1-CG 4.04Å; Y98-P100 HydrophobicContact CE1-CB 3.79Å; Y98-P100 HydrophobicContact CE1-CG 3.74Å; P100-D102 VanDerWaalsContact C-N 3.29Å; P100-D102 PolarHBondContact O-N 3.06Å; P100-T103 WeakPolarHBondContact CB-OG1 3.35Å; P100-T103 PolarHBondContact O-N 3.48Å; P100-T103 PolarHBondContact O-OG1 3Å | ||
| 101 | P | 83.1 | Confident | 92.2 | Very high | 58 Ų | 58 | 44.9 Ų | 44.9 | 38% | 0.377 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -66.8 | -32.2 | -178.1 | 28 | -33.7 | 0 | 0 | 0 | 112.1 | Y98 T103 | Y98-P101 WeakPolarHBondContact OH-CD 3.42Å; P101-T103 PolarHBondContact O-N 3.14Å |
| 102 | D | 78.3 | Confident | 92.3 | Very high | 153 Ų | 153 | 44.8 Ų | 44.8 | 82% | 0.818 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -70.9 | 2.8 | -176.7 | -41.5 | -41.4 | 0 | 0 | 0 | 113.9 | P100 | P100-D102 VanDerWaalsContact C-N 3.29Å; P100-D102 PolarHBondContact O-N 3.06Å |
| 103 | T | 78.8 | Confident | 92.3 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 34% | 0.344 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -97.1 | -10.9 | -174.2 | -19.3 | 0 | 0 | 0 | 0 | 114 | P100 P101 L105 | P100-T103 WeakPolarHBondContact CB-OG1 3.35Å; P100-T103 PolarHBondContact O-N 3.48Å; P100-T103 PolarHBondContact O-OG1 3Å; P101-T103 PolarHBondContact O-N 3.14Å; T103-L105 PolarHBondContact O-N 3.37Å |
| 104 | E | 86.9 | Confident | 92.3 | Very high | 149 Ų | 149 | 50.9 Ų | 50.9 | 70% | 0.696 | 25% | 0.252 | S | S | * | . | trans | 51.2 | 20 | -176.4 | -59.6 | -177.2 | 168 | 0 | 0 | 114.8 | E107 E108 | E104-E107 WeakPolarHBondContact CA-OE2 3.31Å; E104-E107 PolarHBondContact O-N 3.25Å; E104-E108 WeakPolarHBondContact O-CB 3.36Å; E104-E108 PolarHBondContact O-N 3.03Å | ||
| 105 | L | 94.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.6 | -36.3 | -167.5 | -179.6 | 64.3 | 0 | 0 | 0 | 113.3 | L60 L63 Q64 I67 T103 E107 A109 | L60-L105 HydrophobicContact CD2-CD2 3.93Å; L63-L105 HydrophobicContact CB-CD2 4.11Å; L63-L105 HydrophobicContact CD1-CD2 4.14Å; Q64-L105 HydrophobicContact CB-CD1 4.48Å; Q64-L105 HydrophobicContact CG-CD1 3.45Å; Q64-L105 VanDerWaalsContact CG-CD1 3.45Å; I67-L105 HydrophobicContact CD1-CD1 3.52Å; I67-L105 HydrophobicContact CD1-CG 4.35Å; T103-L105 PolarHBondContact O-N 3.37Å; L105-E107 PolarHBondContact N-OE2 3.2Å; L105-A109 WeakPolarHBondContact O-CB 3.45Å; L105-A109 PolarHBondContact O-N 2.74Å; L105-A109 VanDerWaalsContact O-N 3.15Å |
| 106 | L | 94.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -82.7 | -27.8 | -178.9 | -56.7 | -176.1 | 0 | 0 | 0 | 110.4 | L93 A109 L110 L134 E137 I138 | L93-L106 HydrophobicContact CD1-CD2 3.86Å; L93-L106 HydrophobicContact CD2-CD2 4.25Å; L106-A109 PolarHBondContact O-N 3.23Å; L106-L110 WeakPolarHBondContact O-CB 3.34Å; L106-L110 WeakPolarHBondContact O-CG 3.3Å; L106-L110 PolarHBondContact O-N 3.36Å; L106-L134 HydrophobicContact CB-CD2 4.04Å; L106-L134 HydrophobicContact CD2-CD2 3.91Å; L106-L134 HydrophobicContact CG-CD2 4.49Å; L106-E137 HydrophobicContact CD1-CB 4.49Å; L106-I138 HydrophobicContact CB-CD1 3.79Å; L106-I138 HydrophobicContact CB-CG1 3.56Å; L106-I138 HydrophobicContact CD1-CG1 3.81Å; L106-I138 HydrophobicContact CG-CG1 4.35Å |
| 107 | E | 93.6 | Very high | 92.4 | Very high | 79 Ų | 79 | 53 Ų | 53 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.5 | -48.3 | 172.6 | -62.3 | 68 | -155.6 | 0 | 0 | 110.3 | E104 L105 A109 L110 E111 | E104-E107 WeakPolarHBondContact CA-OE2 3.31Å; E104-E107 PolarHBondContact O-N 3.25Å; L105-E107 PolarHBondContact N-OE2 3.2Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 3.28Å; E107-L110 WeakPolarHBondContact O-CB 3.32Å; E107-L110 PolarHBondContact O-N 2.9Å; E107-E111 PolarHBondContact O-N 3.29Å |
| 108 | E | 96.2 | Very high | 92.4 | Very high | 71 Ų | 71 | 58.8 Ų | 58.8 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 171.3 | -170.1 | -171.2 | -168 | 0 | 0 | 111.4 | I67 K71 E104 E111 V112 | I67-E108 HydrophobicContact CG2-CG 3.88Å; K71-E108 WeakPolarHBondContact CE-OE1 3.28Å; K71-E108 IonicContact NZ-OE1 2.76Å; K71-E108 PolarHBondContact NZ-OE1 3.31Å; E104-E108 WeakPolarHBondContact O-CB 3.36Å; E104-E108 PolarHBondContact O-N 3.03Å; E108-E111 PolarHBondContact O-N 2.91Å; E108-V112 WeakPolarHBondContact O-CG2 3.2Å; E108-V112 PolarHBondContact O-N 2.98Å; E108-V112 VanDerWaalsContact O-N 3.13Å |
| 109 | A | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I67 F89 L105 L106 E107 V112 F113 L134 | I67-A109 HydrophobicContact CD1-CB 3.91Å; I67-A109 HydrophobicContact CG1-CB 4.14Å; F89-A109 HydrophobicContact CE1-CB 4.2Å; F89-A109 HydrophobicContact CE2-CB 3.88Å; F89-A109 HydrophobicContact CZ-CB 3.45Å; F89-A109 VanDerWaalsContact CZ-CB 3.45Å; L105-A109 WeakPolarHBondContact O-CB 3.45Å; L105-A109 PolarHBondContact O-N 2.74Å; L105-A109 VanDerWaalsContact O-N 3.15Å; L106-A109 PolarHBondContact O-N 3.23Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 3.28Å; A109-V112 PolarHBondContact O-N 3.25Å; A109-F113 HydrophobicContact CB-CD2 4.39Å; A109-F113 WeakPolarHBondContact O-CB 3.21Å; A109-F113 VanDerWaalsContact O-CD2 3.24Å; A109-F113 WeakPolarHBondContact O-CD2 3.34Å; A109-F113 PolarHBondContact O-N 2.71Å; A109-L134 HydrophobicContact CB-CD1 4.01Å; A109-L134 HydrophobicContact CB-CD2 4.05Å |
| 110 | L | 96.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 60.5 Ų | 60.5 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.6 | -52.7 | 174.9 | -82.6 | -179.6 | 0 | 0 | 0 | 110.8 | L106 E107 V112 F113 Y114 L131 L134 Q135 I138 | L106-L110 WeakPolarHBondContact O-CB 3.34Å; L106-L110 WeakPolarHBondContact O-CG 3.3Å; L106-L110 PolarHBondContact O-N 3.36Å; E107-L110 WeakPolarHBondContact O-CB 3.32Å; E107-L110 PolarHBondContact O-N 2.9Å; L110-V112 VanDerWaalsContact C-N 3.33Å; L110-V112 PolarHBondContact O-N 3.37Å; L110-F113 PolarHBondContact O-N 3.34Å; L110-Y114 WeakPolarHBondContact O-CB 3.42Å; L110-Y114 PolarHBondContact O-N 2.83Å; L110-L131 HydrophobicContact CD2-CD2 3.6Å; L110-L131 WeakPolarHBondContact O-CD2 3.33Å; L110-L134 HydrophobicContact CD2-CB 3.5Å; L110-L134 VanDerWaalsContact CD2-CB 3.5Å; L110-L134 HydrophobicContact CD2-CD1 3.99Å; L110-L134 HydrophobicContact CD2-CG 4.35Å; L110-L134 HydrophobicContact CG-CB 4.03Å; L110-L134 HydrophobicContact CG-CD1 4.34Å; L110-Q135 HydrophobicContact CD2-CG 4.1Å; L110-I138 HydrophobicContact CD1-CD1 3.44Å; L110-I138 VanDerWaalsContact CD1-CD1 3.44Å; L110-I138 HydrophobicContact CG-CD1 4.09Å |
| 111 | E | 96 | Very high | 91.9 | Very high | 158 Ų | 158 | 65.7 Ų | 65.7 | 74% | 0.738 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -57.3 | -45.4 | -178.9 | -69.9 | -165.3 | 157.1 | 0 | 0 | 112.4 | E107 E108 | E107-E111 PolarHBondContact O-N 3.29Å; E108-E111 PolarHBondContact O-N 2.91Å |
| 112 | V | 97.3 | Very high | 92.1 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.9 | -52.2 | -179.8 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | I67 T70 K71 E108 A109 L110 Y114 S115 F116 | I67-V112 HydrophobicContact CG2-CG2 4.05Å; T70-V112 HydrophobicContact CG2-CG1 3.52Å; K71-V112 HydrophobicContact CD-CG2 4.09Å; K71-V112 HydrophobicContact CG-CG1 4.2Å; K71-V112 HydrophobicContact CG-CG2 3.72Å; E108-V112 WeakPolarHBondContact O-CG2 3.2Å; E108-V112 PolarHBondContact O-N 2.98Å; E108-V112 VanDerWaalsContact O-N 3.13Å; A109-V112 PolarHBondContact O-N 3.25Å; L110-V112 VanDerWaalsContact C-N 3.33Å; L110-V112 PolarHBondContact O-N 3.37Å; V112-Y114 VanDerWaalsContact C-N 3.27Å; V112-Y114 PolarHBondContact O-N 3.4Å; V112-S115 WeakPolarHBondContact O-CB 3.18Å; V112-S115 PolarHBondContact O-N 3.41Å; V112-S115 PolarHBondContact O-OG 3.16Å; V112-F116 HydrophobicContact CG1-CE2 4.36Å; V112-F116 WeakPolarHBondContact O-CD2 3.34Å; V112-F116 WeakPolarHBondContact O-CE2 3.49Å |
| 113 | F | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.1 | -25.1 | -177.4 | -75.4 | -66.8 | 0 | 0 | 0 | 112.8 | T70 A86 F89 A109 L110 S115 F116 L130 L131 L134 | T70-F113 HydrophobicContact CG2-CD1 4.15Å; T70-F113 HydrophobicContact CG2-CE1 3.68Å; T70-F113 HydrophobicContact CG2-CZ 4.06Å; A86-F113 HydrophobicContact CB-CD1 4.46Å; A86-F113 HydrophobicContact CB-CE1 3.93Å; F89-F113 HydrophobicContact CB-CE2 4.26Å; F89-F113 HydrophobicContact CB-CZ 4.16Å; F89-F113 HydrophobicContact CD1-CE2 4.41Å; F89-F113 AromaticContact CD2-CE2 3.93Å; F89-F113 HydrophobicContact CD2-CE2 3.93Å; F89-F113 HydrophobicContact CD2-CZ 4.43Å; F89-F113 HydrophobicContact CE2-CE2 4.4Å; F89-F113 AromaticContact CG-CE2 3.93Å; F89-F113 HydrophobicContact CG-CE2 3.93Å; F89-F113 HydrophobicContact CG-CZ 4.32Å; A109-F113 HydrophobicContact CB-CD2 4.39Å; A109-F113 WeakPolarHBondContact O-CB 3.21Å; A109-F113 VanDerWaalsContact O-CD2 3.24Å; A109-F113 WeakPolarHBondContact O-CD2 3.34Å; A109-F113 PolarHBondContact O-N 2.71Å; L110-F113 PolarHBondContact O-N 3.34Å; F113-S115 VanDerWaalsContact C-N 3.28Å; F113-S115 PolarHBondContact O-N 3.05Å; F113-F116 PolarHBondContact O-N 2.77Å; F113-L130 HydrophobicContact CD1-CD2 3.82Å; F113-L130 HydrophobicContact CD2-CD2 3.59Å; F113-L130 HydrophobicContact CD2-CG 4.37Å; F113-L130 HydrophobicContact CE1-CD2 3.77Å; F113-L130 HydrophobicContact CE2-CD2 3.56Å; F113-L130 HydrophobicContact CG-CD2 3.75Å; F113-L130 HydrophobicContact CZ-CD2 3.65Å; F113-L131 HydrophobicContact CB-CD2 3.79Å; F113-L131 HydrophobicContact CB-CG 4.1Å; F113-L134 HydrophobicContact CD2-CD1 4.38Å |
| 114 | Y | 96.9 | Very high | 93.3 | Very high | 150 Ų | 150 | 54.3 Ų | 54.3 | 59% | 0.588 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.9 | -31.5 | 176.3 | -162.4 | -89.2 | 0 | 0 | 0 | 112.6 | L110 V112 F116 L117 L131 | L110-Y114 WeakPolarHBondContact O-CB 3.42Å; L110-Y114 PolarHBondContact O-N 2.83Å; V112-Y114 VanDerWaalsContact C-N 3.27Å; V112-Y114 PolarHBondContact O-N 3.4Å; Y114-F116 PolarHBondContact O-N 3.31Å; Y114-L117 HydrophobicContact CD1-CD1 4.32Å; Y114-L117 HydrophobicContact CD2-CD1 3.56Å; Y114-L117 HydrophobicContact CE1-CD1 4.3Å; Y114-L117 HydrophobicContact CE2-CD1 3.54Å; Y114-L117 HydrophobicContact CG-CD1 3.97Å; Y114-L117 WeakPolarHBondContact O-CB 3.32Å; Y114-L117 WeakPolarHBondContact O-CG 3.41Å; Y114-L117 PolarHBondContact O-N 3.39Å; Y114-L117 VanDerWaalsContact O-N 3.11Å; Y114-L131 HydrophobicContact CD2-CD1 4.25Å |
| 115 | S | 94.9 | Very high | 93.4 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 20% | 0.203 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.8 | -36.2 | 178.4 | 72.5 | 0 | 0 | 0 | 0 | 113.1 | Q74 V112 F113 L117 T118 | Q74-S115 VanDerWaalsContact CD-OG 3.26Å; Q74-S115 PolarHBondContact NE2-OG 3Å; Q74-S115 PolarHBondContact OE1-OG 3.28Å; V112-S115 WeakPolarHBondContact O-CB 3.18Å; V112-S115 PolarHBondContact O-N 3.41Å; V112-S115 PolarHBondContact O-OG 3.16Å; F113-S115 VanDerWaalsContact C-N 3.28Å; F113-S115 PolarHBondContact O-N 3.05Å; S115-L117 VanDerWaalsContact C-N 3.26Å; S115-L117 PolarHBondContact O-N 3.2Å; S115-T118 PolarHBondContact O-N 2.94Å; S115-T118 PolarHBondContact O-OG1 3.44Å |
| 116 | F | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -75.1 | -8.1 | -178.8 | -60.1 | -89.3 | 0 | 0 | 0 | 113.7 | T70 Q74 V82 V112 F113 Y114 T118 W119 C124 C127 | T70-F116 HydrophobicContact CG2-CE2 3.49Å; T70-F116 VanDerWaalsContact CG2-CE2 3.49Å; T70-F116 HydrophobicContact CG2-CZ 3.69Å; Q74-F116 HydrophobicContact CB-CE1 4.33Å; Q74-F116 HydrophobicContact CB-CE2 4.37Å; Q74-F116 HydrophobicContact CB-CZ 3.7Å; Q74-F116 HydrophobicContact CG-CZ 4.11Å; V82-F116 HydrophobicContact CB-CD1 4.34Å; V82-F116 HydrophobicContact CB-CE1 4.34Å; V82-F116 HydrophobicContact CG1-CB 4.41Å; V82-F116 HydrophobicContact CG1-CD1 3.54Å; V82-F116 HydrophobicContact CG1-CE1 3.89Å; V82-F116 HydrophobicContact CG1-CG 3.96Å; V82-F116 HydrophobicContact CG2-CD1 3.76Å; V82-F116 HydrophobicContact CG2-CE1 3.47Å; V82-F116 VanDerWaalsContact CG2-CE1 3.47Å; V82-F116 HydrophobicContact CG2-CZ 4.4Å; V112-F116 HydrophobicContact CG1-CE2 4.36Å; V112-F116 WeakPolarHBondContact O-CD2 3.34Å; V112-F116 WeakPolarHBondContact O-CE2 3.49Å; F113-F116 PolarHBondContact O-N 2.77Å; Y114-F116 PolarHBondContact O-N 3.31Å; F116-T118 PolarHBondContact O-N 2.89Å; F116-T118 VanDerWaalsContact O-N 3.09Å; F116-W119 AromaticContact CD1-CD2 3.65Å; F116-W119 HydrophobicContact CD1-CD2 3.65Å; F116-W119 AromaticContact CD1-CE2 3.69Å; F116-W119 AromaticContact CD1-CE3 3.8Å; F116-W119 HydrophobicContact CD1-CE3 3.8Å; F116-W119 HydrophobicContact CD1-CG 4.22Å; F116-W119 HydrophobicContact CD1-CH2 4.06Å; F116-W119 AromaticContact CD1-CZ2 3.91Å; F116-W119 HydrophobicContact CD1-CZ2 3.91Å; F116-W119 HydrophobicContact CD1-CZ3 4.01Å; F116-W119 HydrophobicContact CE1-CD2 4.27Å; F116-W119 AromaticContact CE1-CE2 4Å; F116-W119 HydrophobicContact CE1-CE3 4.2Å; F116-W119 AromaticContact CE1-CH2 3.65Å; F116-W119 HydrophobicContact CE1-CH2 3.65Å; F116-W119 AromaticContact CE1-CZ2 3.71Å; F116-W119 HydrophobicContact CE1-CZ2 3.71Å; F116-W119 AromaticContact CE1-CZ3 3.92Å; F116-W119 HydrophobicContact CE1-CZ3 3.92Å; F116-W119 WeakPolarHBondContact O-CB 3.47Å; F116-W119 PolarHBondContact O-N 3.09Å; F116-C124 WeakPolarHBondContact O-CA 3.44Å; F116-C124 WeakPolarHBondContact O-CB 3.31Å; F116-C127 HydrophobicContact CB-CB 4.08Å |
| 117 | L | 95 | Very high | 93.4 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 27% | 0.272 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -61 | -17.1 | 172.1 | -69.2 | 179.8 | 0 | 0 | 0 | 113 | Y114 S115 C124 R128 L131 | Y114-L117 HydrophobicContact CD1-CD1 4.32Å; Y114-L117 HydrophobicContact CD2-CD1 3.56Å; Y114-L117 HydrophobicContact CE1-CD1 4.3Å; Y114-L117 HydrophobicContact CE2-CD1 3.54Å; Y114-L117 HydrophobicContact CG-CD1 3.97Å; Y114-L117 WeakPolarHBondContact O-CB 3.32Å; Y114-L117 WeakPolarHBondContact O-CG 3.41Å; Y114-L117 PolarHBondContact O-N 3.39Å; Y114-L117 VanDerWaalsContact O-N 3.11Å; S115-L117 VanDerWaalsContact C-N 3.26Å; S115-L117 PolarHBondContact O-N 3.2Å; L117-C124 WeakPolarHBondContact CD2-O 3.49Å; L117-R128 HydrophobicContact CD2-CB 3.86Å; L117-R128 HydrophobicContact CD2-CG 4.26Å; L117-L131 HydrophobicContact CD1-CD1 3.82Å; L117-L131 HydrophobicContact CD2-CD1 3.84Å; L117-L131 HydrophobicContact CG-CD1 3.75Å |
| 118 | T | 92.6 | Very high | 93.5 | Very high | 125 Ų | 125 | 50.7 Ų | 50.7 | 77% | 0.767 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -89 | -8.3 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 114.4 | S115 F116 | S115-T118 PolarHBondContact O-N 2.94Å; S115-T118 PolarHBondContact O-OG1 3.44Å; F116-T118 PolarHBondContact O-N 2.89Å; F116-T118 VanDerWaalsContact O-N 3.09Å |
| 119 | W | 91.7 | Very high | 93.3 | Very high | 35 Ų | 35 | 52 Ų | 52 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -82.7 | 162.7 | -177.2 | -70.9 | 34.1 | 0 | 0 | 0 | 110.7 | Y79 V82 F116 C124 | Y79-W119 HydrophobicContact CD1-CD2 4.38Å; Y79-W119 AromaticContact CD1-CE3 3.34Å; Y79-W119 HydrophobicContact CD1-CE3 3.34Å; Y79-W119 AromaticContact CD1-CZ3 3.52Å; Y79-W119 HydrophobicContact CD1-CZ3 3.52Å; Y79-W119 HydrophobicContact CD2-CZ3 4.38Å; Y79-W119 AromaticContact CE1-CD2 3.93Å; Y79-W119 HydrophobicContact CE1-CD2 3.93Å; Y79-W119 AromaticContact CE1-CE3 3.3Å; Y79-W119 HydrophobicContact CE1-CE3 3.3Å; Y79-W119 AromaticContact CE1-CZ3 3.68Å; Y79-W119 HydrophobicContact CE1-CZ3 3.68Å; Y79-W119 HydrophobicContact CG-CE3 4.19Å; Y79-W119 AromaticContact CG-CZ3 3.9Å; Y79-W119 HydrophobicContact CG-CZ3 3.9Å; V82-W119 HydrophobicContact CG2-CE3 4.04Å; V82-W119 HydrophobicContact CG2-CH2 4.28Å; V82-W119 HydrophobicContact CG2-CZ3 3.58Å; F116-W119 AromaticContact CD1-CD2 3.65Å; F116-W119 HydrophobicContact CD1-CD2 3.65Å; F116-W119 AromaticContact CD1-CE2 3.69Å; F116-W119 AromaticContact CD1-CE3 3.8Å; F116-W119 HydrophobicContact CD1-CE3 3.8Å; F116-W119 HydrophobicContact CD1-CG 4.22Å; F116-W119 HydrophobicContact CD1-CH2 4.06Å; F116-W119 AromaticContact CD1-CZ2 3.91Å; F116-W119 HydrophobicContact CD1-CZ2 3.91Å; F116-W119 HydrophobicContact CD1-CZ3 4.01Å; F116-W119 HydrophobicContact CE1-CD2 4.27Å; F116-W119 AromaticContact CE1-CE2 4Å; F116-W119 HydrophobicContact CE1-CE3 4.2Å; F116-W119 AromaticContact CE1-CH2 3.65Å; F116-W119 HydrophobicContact CE1-CH2 3.65Å; F116-W119 AromaticContact CE1-CZ2 3.71Å; F116-W119 HydrophobicContact CE1-CZ2 3.71Å; F116-W119 AromaticContact CE1-CZ3 3.92Å; F116-W119 HydrophobicContact CE1-CZ3 3.92Å; F116-W119 WeakPolarHBondContact O-CB 3.47Å; F116-W119 PolarHBondContact O-N 3.09Å; W119-C124 WeakPolarHBondContact O-CB 3.42Å; W119-C124 PolarHBondContact O-SG 3.41Å |
| 120 | P | 89.7 | Confident | 93.3 | Very high | 67 Ų | 67 | 52.1 Ų | 52.1 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -62 | 164.1 | 175.7 | 22.5 | -31.9 | 0 | 0 | 0 | 113 | Y79 Y123 C124 | Y79-P120 HydrophobicContact CE1-CG 4.26Å; P120-Y123 HydrophobicContact CG-CD2 4.05Å; P120-Y123 HydrophobicContact CG-CE2 4.3Å; P120-Y123 WeakPolarHBondContact O-CB 3.25Å; P120-Y123 WeakPolarHBondContact O-CD2 3.35Å; P120-Y123 PolarHBondContact O-N 2.93Å; P120-C124 PolarHBondContact O-N 2.9Å |
| 121 | E | 84.3 | Confident | 93.3 | Very high | 142 Ų | 142 | 50.5 Ų | 50.5 | 66% | 0.664 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 146.5 | 165.4 | -68.2 | -171.2 | 158 | 0 | 0 | 110.1 | ||
| 122 | P | 86.9 | Confident | 93.3 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 7% | 0.065 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87.2 | -1.2 | 2.1 | 34.6 | -34.8 | 0 | 0 | 0 | 114.6 | C124 S125 V126 S875 L878 | P122-C124 PolarHBondContact O-N 3.49Å; P122-S125 PolarHBondContact O-N 3.22Å; P122-S125 PolarHBondContact O-OG 3.09Å; P122-V126 WeakPolarHBondContact O-CG2 3.41Å; P122-V126 PolarHBondContact O-N 3.07Å; P122-S875 WeakPolarHBondContact CB-O 3.29Å; P122-S875 WeakPolarHBondContact CG-O 3.19Å; P122-L878 HydrophobicContact CG-CD2 3.54Å |
| 123 | Y | 90.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -49.4 | -171.7 | -47.6 | -68.6 | 0 | 0 | 0 | 112.6 | Y79 V82 P120 S125 V126 C127 L878 P879 | Y79-Y123 AromaticContact CD1-CD2 3.86Å; Y79-Y123 HydrophobicContact CD1-CD2 3.86Å; Y79-Y123 AromaticContact CD1-CE2 3.65Å; Y79-Y123 HydrophobicContact CD1-CE2 3.65Å; Y79-Y123 HydrophobicContact CD1-CG 4.49Å; Y79-Y123 HydrophobicContact CG-CE2 4.34Å; Y79-Y123 WeakPolarHBondContact O-CE1 3.4Å; V82-Y123 HydrophobicContact CB-CD1 4.07Å; P120-Y123 HydrophobicContact CG-CD2 4.05Å; P120-Y123 HydrophobicContact CG-CE2 4.3Å; P120-Y123 WeakPolarHBondContact O-CB 3.25Å; P120-Y123 WeakPolarHBondContact O-CD2 3.35Å; P120-Y123 PolarHBondContact O-N 2.93Å; Y123-S125 VanDerWaalsContact C-N 3.27Å; Y123-S125 PolarHBondContact O-N 2.89Å; Y123-V126 PolarHBondContact O-N 2.82Å; Y123-C127 PolarHBondContact O-N 3.11Å; Y123-C127 PolarHBondContact O-SG 3.26Å; Y123-C127 VanDerWaalsContact O-SG 3.41Å; Y123-L878 HydrophobicContact CE1-CD2 3.79Å; Y123-P879 HydrophobicContact CE2-CG 3.78Å |
| 124 | C | 91.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.3 | -22.2 | 179.8 | 63.2 | 0 | 0 | 0 | 0 | 114.2 | F116 L117 W119 P120 P122 R128 | F116-C124 WeakPolarHBondContact O-CA 3.44Å; F116-C124 WeakPolarHBondContact O-CB 3.31Å; L117-C124 WeakPolarHBondContact CD2-O 3.49Å; W119-C124 WeakPolarHBondContact O-CB 3.42Å; W119-C124 PolarHBondContact O-SG 3.41Å; P120-C124 PolarHBondContact O-N 2.9Å; P122-C124 PolarHBondContact O-N 3.49Å; C124-R128 WeakPolarHBondContact O-CB 3.23Å; C124-R128 PolarHBondContact O-N 3.27Å |
| 125 | S | 89.9 | Confident | 93.1 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -86.9 | -38.6 | 177.5 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | P122 Y123 R128 E129 R665 | P122-S125 PolarHBondContact O-N 3.22Å; P122-S125 PolarHBondContact O-OG 3.09Å; Y123-S125 VanDerWaalsContact C-N 3.27Å; Y123-S125 PolarHBondContact O-N 2.89Å; S125-R128 WeakPolarHBondContact O-CB 3.45Å; S125-R128 PolarHBondContact O-N 3.38Å; S125-E129 PolarHBondContact O-N 3.47Å; S125-E129 VanDerWaalsContact O-N 3.13Å; S125-R665 VanDerWaalsContact CB-NH2 3.33Å; S125-R665 PolarHBondContact O-NH2 2.84Å; S125-R665 VanDerWaalsContact O-NH2 3.14Å; S125-R665 PolarHBondContact OG-NH2 3.18Å |
| 126 | V | 92 | Very high | 93.1 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 170.5 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | A83 A86 I87 P122 Y123 R128 E129 L130 R665 | A83-V126 HydrophobicContact CB-CG1 4.25Å; A83-V126 HydrophobicContact CB-CG2 4.32Å; A86-V126 HydrophobicContact CB-CG1 3.86Å; I87-V126 HydrophobicContact CG1-CG1 4.37Å; P122-V126 WeakPolarHBondContact O-CG2 3.41Å; P122-V126 PolarHBondContact O-N 3.07Å; Y123-V126 PolarHBondContact O-N 2.82Å; V126-R128 VanDerWaalsContact C-N 3.3Å; V126-R128 PolarHBondContact O-N 3.01Å; V126-E129 PolarHBondContact O-N 2.89Å; V126-L130 PolarHBondContact O-N 3.08Å; V126-R665 VanDerWaalsContact N-NH2 3.13Å |
| 127 | C | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.9 | -32.5 | 175.7 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | F116 Y123 L130 L131 | F116-C127 HydrophobicContact CB-CB 4.08Å; Y123-C127 PolarHBondContact O-N 3.11Å; Y123-C127 PolarHBondContact O-SG 3.26Å; Y123-C127 VanDerWaalsContact O-SG 3.41Å; C127-L130 PolarHBondContact O-N 3.45Å; C127-L131 WeakPolarHBondContact O-CB 3.5Å; C127-L131 WeakPolarHBondContact O-CD1 3.18Å; C127-L131 WeakPolarHBondContact O-CG 3.36Å; C127-L131 PolarHBondContact O-N 3.01Å |
| 128 | R | 95.4 | Very high | 92.9 | Very high | 140 Ų | 140 | 45.7 Ų | 45.7 | 53% | 0.528 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65 | -39.2 | 176.2 | -167.3 | -176.1 | -51.9 | 162.1 | 9.7 | 113 | L117 C124 S125 V126 L131 S132 | L117-R128 HydrophobicContact CD2-CB 3.86Å; L117-R128 HydrophobicContact CD2-CG 4.26Å; C124-R128 WeakPolarHBondContact O-CB 3.23Å; C124-R128 PolarHBondContact O-N 3.27Å; S125-R128 WeakPolarHBondContact O-CB 3.45Å; S125-R128 PolarHBondContact O-N 3.38Å; V126-R128 VanDerWaalsContact C-N 3.3Å; V126-R128 PolarHBondContact O-N 3.01Å; R128-L131 PolarHBondContact O-N 3.36Å; R128-S132 WeakPolarHBondContact O-CB 3.5Å; R128-S132 PolarHBondContact O-N 3.29Å |
| 129 | E | 93.3 | Very high | 93 | Very high | 99 Ų | 99 | 41.2 Ų | 41.2 | 46% | 0.463 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.6 | -44.1 | 175.4 | -76.8 | 150.4 | -163.7 | 0 | 0 | 111.2 | S125 V126 S132 M133 R665 | S125-E129 PolarHBondContact O-N 3.47Å; S125-E129 VanDerWaalsContact O-N 3.13Å; V126-E129 PolarHBondContact O-N 2.89Å; E129-S132 PolarHBondContact O-N 3.27Å; E129-M133 PolarHBondContact O-N 3.31Å; E129-R665 IonicContact OE1-CZ 3.68Å; E129-R665 IonicContact OE1-NH1 3.99Å; E129-R665 PolarHBondContact OE1-NH1 3.11Å; E129-R665 IonicContact OE1-NH2 3.69Å; E129-R665 PolarHBondContact OE1-NH2 2.86Å; E129-R665 IonicContact OE2-CZ 2.86Å; E129-R665 IonicContact OE2-NH2 3.73Å; E129-R665 PolarHBondContact OE2-NH2 2.94Å |
| 130 | L | 96.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 173.4 | 170.4 | 56.9 | 0 | 0 | 0 | 112.7 | A86 F89 F113 V126 C127 S132 M133 L134 | A86-L130 HydrophobicContact CB-CD2 3.81Å; F89-L130 HydrophobicContact CB-CD2 4.17Å; F89-L130 HydrophobicContact CD1-CD1 3.61Å; F89-L130 HydrophobicContact CD1-CD2 4.17Å; F89-L130 HydrophobicContact CE1-CD1 4.19Å; F89-L130 HydrophobicContact CG-CD2 4.38Å; F113-L130 HydrophobicContact CD1-CD2 3.82Å; F113-L130 HydrophobicContact CD2-CD2 3.59Å; F113-L130 HydrophobicContact CD2-CG 4.37Å; F113-L130 HydrophobicContact CE1-CD2 3.77Å; F113-L130 HydrophobicContact CE2-CD2 3.56Å; F113-L130 HydrophobicContact CG-CD2 3.75Å; F113-L130 HydrophobicContact CZ-CD2 3.65Å; V126-L130 PolarHBondContact O-N 3.08Å; C127-L130 PolarHBondContact O-N 3.45Å; L130-S132 VanDerWaalsContact C-N 3.28Å; L130-S132 PolarHBondContact O-N 2.86Å; L130-M133 WeakPolarHBondContact O-CB 3.36Å; L130-M133 PolarHBondContact O-N 2.66Å; L130-M133 VanDerWaalsContact O-N 3.14Å; L130-L134 HydrophobicContact CD1-CD1 4.06Å; L130-L134 HydrophobicContact CD1-CG 4.07Å; L130-L134 HydrophobicContact CG-CD1 4.07Å; L130-L134 PolarHBondContact O-N 3.27Å |
| 131 | L | 97.5 | Very high | 93.5 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.4 | -36.7 | 176.2 | -71.4 | 164.4 | 0 | 0 | 0 | 111.7 | L110 F113 Y114 L117 C127 R128 L134 Q135 | L110-L131 HydrophobicContact CD2-CD2 3.6Å; L110-L131 WeakPolarHBondContact O-CD2 3.33Å; F113-L131 HydrophobicContact CB-CD2 3.79Å; F113-L131 HydrophobicContact CB-CG 4.1Å; Y114-L131 HydrophobicContact CD2-CD1 4.25Å; L117-L131 HydrophobicContact CD1-CD1 3.82Å; L117-L131 HydrophobicContact CD2-CD1 3.84Å; L117-L131 HydrophobicContact CG-CD1 3.75Å; C127-L131 WeakPolarHBondContact O-CB 3.5Å; C127-L131 WeakPolarHBondContact O-CD1 3.18Å; C127-L131 WeakPolarHBondContact O-CG 3.36Å; C127-L131 PolarHBondContact O-N 3.01Å; R128-L131 PolarHBondContact O-N 3.36Å; L131-L134 HydrophobicContact CD2-CD1 4.45Å; L131-L134 PolarHBondContact O-N 2.95Å; L131-Q135 WeakPolarHBondContact O-CB 3.33Å; L131-Q135 VanDerWaalsContact O-CG 3.28Å; L131-Q135 WeakPolarHBondContact O-CG 3.27Å; L131-Q135 PolarHBondContact O-N 3.3Å |
| 132 | S | 95.5 | Very high | 94 | Very high | 67 Ų | 67 | 30.2 Ų | 30.2 | 47% | 0.469 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66.2 | -39.5 | 173 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | R128 E129 L130 M136 | R128-S132 WeakPolarHBondContact O-CB 3.5Å; R128-S132 PolarHBondContact O-N 3.29Å; E129-S132 PolarHBondContact O-N 3.27Å; L130-S132 VanDerWaalsContact C-N 3.28Å; L130-S132 PolarHBondContact O-N 2.86Å; S132-M136 VanDerWaalsContact O-CG 3.28Å; S132-M136 WeakPolarHBondContact O-CG 3.29Å; S132-M136 PolarHBondContact O-N 2.89Å |
| 133 | M | 95.4 | Very high | 94.4 | Very high | 43 Ų | 43 | 29.8 Ų | 29.8 | 21% | 0.212 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.4 | -51 | 172.2 | 176.3 | 176.2 | -71.2 | 0 | 0 | 111.7 | T90 E129 L130 Q135 M136 E137 S144 | T90-M133 HydrophobicContact CG2-CE 3.76Å; T90-M133 HydrophobicContact CG2-SD 3.89Å; E129-M133 PolarHBondContact O-N 3.31Å; L130-M133 WeakPolarHBondContact O-CB 3.36Å; L130-M133 PolarHBondContact O-N 2.66Å; L130-M133 VanDerWaalsContact O-N 3.14Å; M133-Q135 VanDerWaalsContact C-N 3.32Å; M133-Q135 PolarHBondContact O-N 2.85Å; M133-M136 PolarHBondContact O-N 3.38Å; M133-E137 HydrophobicContact CG-CG 4.2Å; M133-E137 PolarHBondContact O-N 2.74Å; M133-S144 WeakPolarHBondContact CG-OG 3.49Å |
| 134 | L | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.5 | -45.5 | 179.2 | -82.8 | 165.3 | 0 | 0 | 0 | 112.3 | F89 L93 L106 A109 L110 F113 L130 L131 M136 E137 I138 | F89-L134 HydrophobicContact CE1-CD1 4.47Å; F89-L134 HydrophobicContact CE1-CD2 3.79Å; F89-L134 HydrophobicContact CE1-CG 4.34Å; F89-L134 HydrophobicContact CZ-CD2 4.21Å; L93-L134 HydrophobicContact CD2-CD2 4.07Å; L106-L134 HydrophobicContact CB-CD2 4.04Å; L106-L134 HydrophobicContact CD2-CD2 3.91Å; L106-L134 HydrophobicContact CG-CD2 4.49Å; A109-L134 HydrophobicContact CB-CD1 4.01Å; A109-L134 HydrophobicContact CB-CD2 4.05Å; L110-L134 HydrophobicContact CD2-CB 3.5Å; L110-L134 VanDerWaalsContact CD2-CB 3.5Å; L110-L134 HydrophobicContact CD2-CD1 3.99Å; L110-L134 HydrophobicContact CD2-CG 4.35Å; L110-L134 HydrophobicContact CG-CB 4.03Å; L110-L134 HydrophobicContact CG-CD1 4.34Å; F113-L134 HydrophobicContact CD2-CD1 4.38Å; L130-L134 HydrophobicContact CD1-CD1 4.06Å; L130-L134 HydrophobicContact CD1-CG 4.07Å; L130-L134 HydrophobicContact CG-CD1 4.07Å; L130-L134 PolarHBondContact O-N 3.27Å; L131-L134 HydrophobicContact CD2-CD1 4.45Å; L131-L134 PolarHBondContact O-N 2.95Å; L134-M136 PolarHBondContact O-N 3.02Å; L134-E137 PolarHBondContact O-N 3.29Å; L134-I138 WeakPolarHBondContact O-CD1 3.27Å; L134-I138 WeakPolarHBondContact O-CG1 3.37Å; L134-I138 PolarHBondContact O-N 3.31Å |
| 135 | Q | 94.9 | Very high | 94.8 | Very high | 104 Ų | 104 | 29.8 Ų | 29.8 | 49% | 0.486 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.8 | -28.6 | 177.5 | -75.2 | 174.6 | -2.2 | 0 | 0 | 113.7 | L110 L131 M133 K139 | L110-Q135 HydrophobicContact CD2-CG 4.1Å; L131-Q135 WeakPolarHBondContact O-CB 3.33Å; L131-Q135 VanDerWaalsContact O-CG 3.28Å; L131-Q135 WeakPolarHBondContact O-CG 3.27Å; L131-Q135 PolarHBondContact O-N 3.3Å; M133-Q135 VanDerWaalsContact C-N 3.32Å; M133-Q135 PolarHBondContact O-N 2.85Å; Q135-K139 WeakPolarHBondContact O-CD 3.27Å; Q135-K139 WeakPolarHBondContact O-CG 3.22Å |
| 136 | M | 94.6 | Very high | 95 | Very high | 33 Ų | 33 | 29.6 Ų | 29.6 | 16% | 0.163 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -85.1 | -39.2 | 177.3 | -58.4 | -62.4 | -102 | 0 | 0 | 111.3 | S132 M133 L134 K139 A140 I143 A245 | S132-M136 VanDerWaalsContact O-CG 3.28Å; S132-M136 WeakPolarHBondContact O-CG 3.29Å; S132-M136 PolarHBondContact O-N 2.89Å; M133-M136 PolarHBondContact O-N 3.38Å; L134-M136 PolarHBondContact O-N 3.02Å; M136-K139 PolarHBondContact O-N 3.08Å; M136-A140 PolarHBondContact O-N 3.45Å; M136-I143 HydrophobicContact CB-CG2 3.87Å; M136-A245 HydrophobicContact CB-CB 4.44Å; M136-A245 HydrophobicContact CE-CB 3.49Å; M136-A245 VanDerWaalsContact CE-CB 3.49Å; M136-A245 HydrophobicContact SD-CB 3.85Å |
| 137 | E | 95.1 | Very high | 95.1 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.7 | -36.6 | 177.7 | -75.3 | -61.7 | 144.2 | 0 | 0 | 113.6 | L93 L106 M133 L134 K139 P141 G142 I143 S144 | L93-E137 HydrophobicContact CD2-CB 4.41Å; L93-E137 HydrophobicContact CD2-CG 4.11Å; L106-E137 HydrophobicContact CD1-CB 4.49Å; M133-E137 HydrophobicContact CG-CG 4.2Å; M133-E137 PolarHBondContact O-N 2.74Å; L134-E137 PolarHBondContact O-N 3.29Å; E137-K139 VanDerWaalsContact C-N 3.3Å; E137-K139 PolarHBondContact O-N 2.86Å; E137-P141 WeakPolarHBondContact O-CA 3.46Å; E137-G142 PolarHBondContact OE2-N 2.83Å; E137-I143 WeakPolarHBondContact OE1-CG2 3.25Å; E137-I143 PolarHBondContact OE1-N 2.94Å; E137-S144 WeakPolarHBondContact OE1-CB 3.4Å; E137-S144 PolarHBondContact OE1-N 2.94Å; E137-S144 PolarHBondContact OE1-OG 2.71Å |
| 138 | I | 93.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 17% | 0.169 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 174.6 | -71.2 | 164.4 | 0 | 0 | 0 | 110.9 | L106 L110 L134 | L106-I138 HydrophobicContact CB-CD1 3.79Å; L106-I138 HydrophobicContact CB-CG1 3.56Å; L106-I138 HydrophobicContact CD1-CG1 3.81Å; L106-I138 HydrophobicContact CG-CG1 4.35Å; L110-I138 HydrophobicContact CD1-CD1 3.44Å; L110-I138 VanDerWaalsContact CD1-CD1 3.44Å; L110-I138 HydrophobicContact CG-CD1 4.09Å; L134-I138 WeakPolarHBondContact O-CD1 3.27Å; L134-I138 WeakPolarHBondContact O-CG1 3.37Å; L134-I138 PolarHBondContact O-N 3.31Å |
| 139 | K | 94.1 | Very high | 95 | Very high | 32 Ų | 32 | 27 Ų | 27 | 14% | 0.139 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -74.9 | -44.8 | 179.5 | -68.5 | 178.6 | -175.1 | -169 | 0 | 113.5 | Q135 M136 E137 A245 S247 A252 R253 | Q135-K139 WeakPolarHBondContact O-CD 3.27Å; Q135-K139 WeakPolarHBondContact O-CG 3.22Å; M136-K139 PolarHBondContact O-N 3.08Å; E137-K139 VanDerWaalsContact C-N 3.3Å; E137-K139 PolarHBondContact O-N 2.86Å; K139-A245 WeakPolarHBondContact CD-O 3.16Å; K139-A245 PolarHBondContact NZ-O 3.2Å; K139-S247 WeakPolarHBondContact CE-O 3.35Å; K139-S247 PolarHBondContact NZ-O 3.19Å; K139-A252 HydrophobicContact CB-CB 3.79Å; K139-A252 HydrophobicContact CD-CB 4.47Å; K139-A252 HydrophobicContact CG-CB 4.01Å; K139-A252 CarbonylContact O-C 3.58Å; K139-R253 VanDerWaalsContact O-CA 3.23Å; K139-R253 WeakPolarHBondContact O-CA 3.46Å; K139-R253 PolarHBondContact O-N 2.91Å |
| 140 | A | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -138.2 | 79.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | M136 G142 I143 L241 A244 A245 V256 | M136-A140 PolarHBondContact O-N 3.45Å; A140-G142 PolarHBondContact O-N 3.49Å; A140-I143 HydrophobicContact CB-CB 4.13Å; A140-I143 HydrophobicContact CB-CG2 4.27Å; A140-I143 VanDerWaalsContact O-CB 3.28Å; A140-I143 WeakPolarHBondContact O-CB 3.44Å; A140-I143 WeakPolarHBondContact O-CG2 3.29Å; A140-I143 PolarHBondContact O-N 2.85Å; A140-L241 HydrophobicContact CB-CB 4.43Å; A140-L241 HydrophobicContact CB-CD2 4.07Å; A140-L241 WeakPolarHBondContact CB-O 3.46Å; A140-A244 HydrophobicContact CB-CB 4.13Å; A140-A245 HydrophobicContact CB-CB 4.06Å; A140-V256 HydrophobicContact CB-CG2 4.48Å |
| 141 | P | 95.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 24.8 Ų | 24.8 | 5% | 0.045 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 125.7 | -172.1 | -27.9 | 36.6 | 0 | 0 | 0 | 113.3 | E137 S207 R253 | E137-P141 WeakPolarHBondContact O-CA 3.46Å; P141-S207 VanDerWaalsContact CB-O 3.22Å; P141-S207 WeakPolarHBondContact CB-O 3.28Å; P141-S207 WeakPolarHBondContact O-CB 3.32Å; P141-S207 PolarHBondContact O-OG 2.86Å; P141-R253 HydrophobicContact CG-CG 4.44Å |
| 142 | G | 94.9 | Very high | 94.4 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 6% | 0.062 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 5.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E137 A140 S144 F145 Q146 | E137-G142 PolarHBondContact OE2-N 2.83Å; A140-G142 PolarHBondContact O-N 3.49Å; G142-S144 PolarHBondContact O-N 2.57Å; G142-F145 PolarHBondContact O-N 2.76Å; G142-Q146 PolarHBondContact O-N 2.84Å |
| 143 | I | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.2 | -35.8 | 176 | -177.1 | 58.7 | 0 | 0 | 0 | 112.3 | M136 E137 A140 Q146 R147 L241 E242 A245 | M136-I143 HydrophobicContact CB-CG2 3.87Å; E137-I143 WeakPolarHBondContact OE1-CG2 3.25Å; E137-I143 PolarHBondContact OE1-N 2.94Å; A140-I143 HydrophobicContact CB-CB 4.13Å; A140-I143 HydrophobicContact CB-CG2 4.27Å; A140-I143 VanDerWaalsContact O-CB 3.28Å; A140-I143 WeakPolarHBondContact O-CB 3.44Å; A140-I143 WeakPolarHBondContact O-CG2 3.29Å; A140-I143 PolarHBondContact O-N 2.85Å; I143-Q146 PolarHBondContact O-N 2.9Å; I143-R147 HydrophobicContact CD1-CG 3.94Å; I143-R147 HydrophobicContact CG1-CG 4.22Å; I143-R147 WeakPolarHBondContact O-CB 3.43Å; I143-R147 VanDerWaalsContact O-CG 3.29Å; I143-R147 WeakPolarHBondContact O-CG 3.42Å; I143-R147 PolarHBondContact O-N 2.78Å; I143-L241 HydrophobicContact CD1-CB 3.92Å; I143-E242 HydrophobicContact CD1-CG 4.15Å; I143-A245 HydrophobicContact CG1-CB 4.36Å |
| 144 | S | 95.3 | Very high | 93.8 | Very high | 16 Ų | 16 | 21.6 Ų | 21.6 | 11% | 0.112 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.9 | -38.1 | -178.5 | -49.2 | 0 | 0 | 0 | 0 | 112.2 | L94 M133 E137 G142 L148 | L94-S144 VanDerWaalsContact CD1-C 3.42Å; M133-S144 WeakPolarHBondContact CG-OG 3.49Å; E137-S144 WeakPolarHBondContact OE1-CB 3.4Å; E137-S144 PolarHBondContact OE1-N 2.94Å; E137-S144 PolarHBondContact OE1-OG 2.71Å; G142-S144 PolarHBondContact O-N 2.57Å; S144-L148 WeakPolarHBondContact O-CB 3.28Å; S144-L148 PolarHBondContact O-N 3.06Å; S144-L148 VanDerWaalsContact O-N 3.08Å |
| 145 | F | 96.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.8 | -46.7 | 172.1 | -178.4 | -77.2 | 0 | 0 | 0 | 109.9 | L94 G142 R147 V149 L200 H203 L286 | L94-F145 HydrophobicContact CD1-CB 4.31Å; L94-F145 WeakPolarHBondContact O-CD2 3.28Å; G142-F145 PolarHBondContact O-N 2.76Å; F145-R147 PolarHBondContact O-N 3.31Å; F145-V149 HydrophobicContact CD1-CG2 4.14Å; F145-V149 HydrophobicContact CE1-CG2 3.96Å; F145-V149 HydrophobicContact CZ-CG2 4.27Å; F145-V149 WeakPolarHBondContact O-CB 3.11Å; F145-V149 VanDerWaalsContact O-CG2 3.31Å; F145-V149 WeakPolarHBondContact O-CG2 3.32Å; F145-V149 PolarHBondContact O-N 2.85Å; F145-V149 VanDerWaalsContact O-N 3.09Å; F145-L200 HydrophobicContact CD1-CD2 4.1Å; F145-L200 HydrophobicContact CE1-CD2 4.04Å; F145-H203 HydrophobicContact CD1-CB 4.17Å; F145-H203 AromaticContact CD1-CD2 3.6Å; F145-H203 AromaticContact CD1-CG 3.58Å; F145-H203 AromaticContact CD1-ND1 3.83Å; F145-H203 AromaticContact CD1-NE2 3.9Å; F145-H203 AromaticContact CD2-CD2 3.71Å; F145-H203 AromaticContact CD2-NE2 3.51Å; F145-H203 HydrophobicContact CE1-CB 4.04Å; F145-H203 AromaticContact CE1-CD2 3.69Å; F145-H203 AromaticContact CE1-CG 3.79Å; F145-H203 AromaticContact CE2-CD2 3.77Å; F145-H203 AromaticContact CG-CD2 3.63Å; F145-H203 AromaticContact CG-CE1 3.66Å; F145-H203 AromaticContact CG-CG 3.96Å; F145-H203 AromaticContact CG-ND1 3.96Å; F145-H203 AromaticContact CG-NE2 3.45Å; F145-H203 WeakPolarHBondContact CG-NE2 3.16Å; F145-H203 AromaticContact CZ-CD2 3.77Å; F145-L286 HydrophobicContact CD2-CD2 3.51Å; F145-L286 HydrophobicContact CD2-CG 4.17Å; F145-L286 HydrophobicContact CE2-CD2 3.47Å; F145-L286 VanDerWaalsContact CE2-CD2 3.47Å; F145-L286 HydrophobicContact CE2-CG 3.84Å; F145-L286 HydrophobicContact CG-CD2 4.29Å; F145-L286 HydrophobicContact CZ-CD2 4.21Å |
| 146 | Q | 94.5 | Very high | 92.1 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 3% | 0.033 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 178.7 | -177.2 | -83.1 | -1.8 | 0 | 0 | 111.1 | G142 I143 R150 L200 F234 S238 L241 | G142-Q146 PolarHBondContact O-N 2.84Å; I143-Q146 PolarHBondContact O-N 2.9Å; Q146-R150 WeakPolarHBondContact O-CB 3.42Å; Q146-R150 PolarHBondContact O-N 2.85Å; Q146-L200 HydrophobicContact CB-CD2 4.4Å; Q146-L200 HydrophobicContact CG-CD2 4.41Å; Q146-F234 HydrophobicContact CG-CE2 4.31Å; Q146-S238 PolarHBondContact NE2-OG 2.74Å; Q146-L241 HydrophobicContact CB-CD1 4.49Å; Q146-L241 HydrophobicContact CG-CD1 4.42Å |
| 147 | R | 93.6 | Very high | 90.8 | Very high | 68 Ų | 68 | 18 Ų | 18 | 26% | 0.257 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -64.3 | -51.1 | -179.4 | -74.7 | 177.7 | 170.6 | -177.8 | -2.2 | 112.2 | I143 F145 V149 R150 E151 E242 | I143-R147 HydrophobicContact CD1-CG 3.94Å; I143-R147 HydrophobicContact CG1-CG 4.22Å; I143-R147 WeakPolarHBondContact O-CB 3.43Å; I143-R147 VanDerWaalsContact O-CG 3.29Å; I143-R147 WeakPolarHBondContact O-CG 3.42Å; I143-R147 PolarHBondContact O-N 2.78Å; F145-R147 PolarHBondContact O-N 3.31Å; R147-V149 VanDerWaalsContact C-N 3.34Å; R147-V149 PolarHBondContact O-N 3.29Å; R147-R150 WeakPolarHBondContact O-CB 3.48Å; R147-R150 PolarHBondContact O-N 2.7Å; R147-E151 WeakPolarHBondContact O-CB 3.46Å; R147-E151 WeakPolarHBondContact O-CG 2.47Å; R147-E151 PolarHBondContact O-N 2.75Å; R147-E242 IonicContact CZ-OE2 2.75Å; R147-E242 VanDerWaalsContact CZ-OE2 3.26Å; R147-E242 IonicContact NE-OE1 2.68Å; R147-E242 PolarHBondContact NE-OE1 3.36Å; R147-E242 IonicContact NE-OE2 3.49Å; R147-E242 PolarHBondContact NE-OE2 3.03Å; R147-E242 VanDerWaalsContact NE-OE2 3.07Å; R147-E242 IonicContact NH2-OE2 3.42Å; R147-E242 PolarHBondContact NH2-OE2 3.19Å |
| 148 | L | 94.4 | Very high | 89.2 | Confident | 24 Ų | 24 | 22.2 Ų | 22.2 | 13% | 0.126 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | -179.2 | 179.8 | 67.7 | 0 | 0 | 0 | 111.8 | L94 S144 E151 E152 L286 R661 | L94-L148 HydrophobicContact CD2-CD2 3.67Å; S144-L148 WeakPolarHBondContact O-CB 3.28Å; S144-L148 PolarHBondContact O-N 3.06Å; S144-L148 VanDerWaalsContact O-N 3.08Å; L148-E151 PolarHBondContact O-N 3.42Å; L148-E152 HydrophobicContact CD1-CG 4.03Å; L148-E152 HydrophobicContact CG-CG 4.46Å; L148-E152 WeakPolarHBondContact O-CB 3.18Å; L148-E152 WeakPolarHBondContact O-CG 3.23Å; L148-E152 PolarHBondContact O-N 3.45Å; L148-L286 HydrophobicContact CD2-CD2 4.32Å; L148-R661 HydrophobicContact CD2-CG 4.32Å |
| 149 | V | 93.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71.2 | -35.6 | -179.6 | 176.5 | 0 | 0 | 0 | 0 | 111 | F145 R147 E151 Q153 T196 L200 L286 P287 | F145-V149 HydrophobicContact CD1-CG2 4.14Å; F145-V149 HydrophobicContact CE1-CG2 3.96Å; F145-V149 HydrophobicContact CZ-CG2 4.27Å; F145-V149 WeakPolarHBondContact O-CB 3.11Å; F145-V149 VanDerWaalsContact O-CG2 3.31Å; F145-V149 WeakPolarHBondContact O-CG2 3.32Å; F145-V149 PolarHBondContact O-N 2.85Å; F145-V149 VanDerWaalsContact O-N 3.09Å; R147-V149 VanDerWaalsContact C-N 3.34Å; R147-V149 PolarHBondContact O-N 3.29Å; V149-E151 VanDerWaalsContact C-N 3.34Å; V149-E151 PolarHBondContact O-N 2.79Å; V149-Q153 HydrophobicContact CG1-CG 3.99Å; V149-Q153 VanDerWaalsContact O-CB 3.25Å; V149-Q153 WeakPolarHBondContact O-CB 3.31Å; V149-Q153 WeakPolarHBondContact O-CG 3.33Å; V149-Q153 PolarHBondContact O-N 3.09Å; V149-Q153 VanDerWaalsContact O-N 3.09Å; V149-T196 HydrophobicContact CG1-CG2 3.91Å; V149-L200 HydrophobicContact CB-CD2 4.01Å; V149-L200 HydrophobicContact CG1-CD1 4.09Å; V149-L200 HydrophobicContact CG1-CD2 3.99Å; V149-L200 HydrophobicContact CG1-CG 4.24Å; V149-L286 HydrophobicContact CG2-CD2 3.86Å; V149-P287 HydrophobicContact CG1-CB 4.41Å; V149-P287 HydrophobicContact CG1-CG 3.85Å; V149-P287 HydrophobicContact CG2-CG 4.45Å |
| 150 | R | 91.6 | Very high | 86.4 | Confident | 6 Ų | 6 | 28 Ų | 28 | 2% | 0.023 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.5 | -46.8 | 172.6 | -172.2 | 179 | 62.9 | -156.5 | -9 | 111.1 | Q146 R147 G154 L155 F234 E242 | Q146-R150 WeakPolarHBondContact O-CB 3.42Å; Q146-R150 PolarHBondContact O-N 2.85Å; R147-R150 WeakPolarHBondContact O-CB 3.48Å; R147-R150 PolarHBondContact O-N 2.7Å; R150-G154 PolarHBondContact O-N 3.37Å; R150-G154 VanDerWaalsContact O-N 3.1Å; R150-L155 HydrophobicContact CG-CB 4.06Å; R150-L155 WeakPolarHBondContact CG-O 3.49Å; R150-L155 PolarHBondContact O-N 3.04Å; R150-F234 HydrophobicContact CG-CZ 4.32Å; R150-E242 IonicContact CZ-OE1 3.38Å; R150-E242 VanDerWaalsContact CZ-OE1 3.24Å; R150-E242 IonicContact NH1-OE1 2.71Å; R150-E242 PolarHBondContact NH1-OE1 2.74Å; R150-E242 IonicContact NH2-OE1 3.19Å; R150-E242 PolarHBondContact NH2-OE1 3.15Å |
| 151 | E | 91.6 | Very high | 85.2 | Confident | 50 Ų | 50 | 31.5 Ų | 31.5 | 23% | 0.234 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.7 | -46.3 | -179.7 | -71.6 | 167.5 | -157 | 0 | 0 | 113.1 | R147 L148 V149 Q153 G154 T164 | R147-E151 WeakPolarHBondContact O-CB 3.46Å; R147-E151 WeakPolarHBondContact O-CG 2.47Å; R147-E151 PolarHBondContact O-N 2.75Å; L148-E151 PolarHBondContact O-N 3.42Å; V149-E151 VanDerWaalsContact C-N 3.34Å; V149-E151 PolarHBondContact O-N 2.79Å; E151-Q153 VanDerWaalsContact C-N 3.31Å; E151-Q153 PolarHBondContact O-N 3.12Å; E151-G154 PolarHBondContact O-N 3.28Å; E151-T164 PolarHBondContact O-N 3.16Å |
| 152 | E | 92.4 | Very high | 84.7 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -79 | -8.4 | -177.1 | -69.4 | -173 | 158.2 | 0 | 0 | 114.4 | L148 T164 A289 K290 R518 R661 | L148-E152 HydrophobicContact CD1-CG 4.03Å; L148-E152 HydrophobicContact CG-CG 4.46Å; L148-E152 WeakPolarHBondContact O-CB 3.18Å; L148-E152 WeakPolarHBondContact O-CG 3.23Å; L148-E152 PolarHBondContact O-N 3.45Å; E152-T164 HydrophobicContact CG-CG2 4.07Å; E152-A289 HydrophobicContact CB-CB 4.03Å; E152-A289 HydrophobicContact CG-CB 4.21Å; E152-A289 WeakPolarHBondContact OE2-CB 3.37Å; E152-K290 WeakPolarHBondContact O-CB 3.32Å; E152-K290 PolarHBondContact O-N 2.94Å; E152-R518 IonicContact OE1-CZ 3.79Å; E152-R518 IonicContact OE1-NH1 2.66Å; E152-R518 PolarHBondContact OE1-NH1 3.04Å; E152-R518 IonicContact OE1-NH2 2.71Å; E152-R661 VanDerWaalsContact OE1-CG 3.29Å; E152-R661 WeakPolarHBondContact OE1-CG 3.07Å; E152-R661 IonicContact OE1-NE 2.65Å; E152-R661 PolarHBondContact OE1-NE 3.44Å; E152-R661 IonicContact OE2-CZ 2.64Å; E152-R661 IonicContact OE2-NE 3.26Å; E152-R661 PolarHBondContact OE2-NE 2.81Å; E152-R661 IonicContact OE2-NH2 3.07Å; E152-R661 PolarHBondContact OE2-NH2 3.23Å |
| 153 | Q | 90.4 | Very high | 84.3 | Confident | 29 Ų | 29 | 34 Ų | 34 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -112.1 | -3.4 | 173.2 | -55.2 | -62.9 | -59.8 | 0 | 0 | 113.1 | V149 E151 L155 T196 T288 | V149-Q153 HydrophobicContact CG1-CG 3.99Å; V149-Q153 VanDerWaalsContact O-CB 3.25Å; V149-Q153 WeakPolarHBondContact O-CB 3.31Å; V149-Q153 WeakPolarHBondContact O-CG 3.33Å; V149-Q153 PolarHBondContact O-N 3.09Å; V149-Q153 VanDerWaalsContact O-N 3.09Å; E151-Q153 VanDerWaalsContact C-N 3.31Å; E151-Q153 PolarHBondContact O-N 3.12Å; Q153-L155 HydrophobicContact CB-CD1 4.23Å; Q153-L155 HydrophobicContact CB-CG 3.99Å; Q153-T196 HydrophobicContact CB-CG2 4.43Å; Q153-T196 HydrophobicContact CG-CG2 4.04Å; Q153-T288 PolarHBondContact NE2-O 3.38Å |
| 154 | G | 86.4 | Confident | 84.2 | Confident | 17 Ų | 17 | 34.5 Ų | 34.5 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | 31.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | R150 E151 N156 F315 | R150-G154 PolarHBondContact O-N 3.37Å; R150-G154 VanDerWaalsContact O-N 3.1Å; E151-G154 PolarHBondContact O-N 3.28Å; G154-N156 PolarHBondContact O-N 2.81Å; G154-N156 VanDerWaalsContact O-N 3.14Å; G154-F315 WeakPolarHBondContact O-CZ 3.49Å |
| 155 | L | 86.1 | Confident | 84.1 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | trans | -88.6 | 67.1 | -173.3 | -61.7 | 179 | 0 | 0 | 0 | 112.8 | R150 Q153 S157 Q193 T196 Y197 L200 F234 | R150-L155 HydrophobicContact CG-CB 4.06Å; R150-L155 WeakPolarHBondContact CG-O 3.49Å; R150-L155 PolarHBondContact O-N 3.04Å; Q153-L155 HydrophobicContact CB-CD1 4.23Å; Q153-L155 HydrophobicContact CB-CG 3.99Å; L155-S157 PolarHBondContact O-N 3.04Å; L155-Q193 HydrophobicContact CD2-CG 4.25Å; L155-T196 HydrophobicContact CD1-CG2 3.6Å; L155-Y197 HydrophobicContact CB-CE1 4.46Å; L155-Y197 HydrophobicContact CD1-CD1 4.16Å; L155-Y197 HydrophobicContact CD1-CE1 3.89Å; L155-Y197 HydrophobicContact CD2-CE1 3.92Å; L155-Y197 HydrophobicContact CG-CE1 4.32Å; L155-L200 HydrophobicContact CD1-CD1 3.85Å; L155-F234 HydrophobicContact CB-CE1 4.34Å | ||
| 156 | N | 70 | Confident | 84 | Confident | 47 Ų | 47 | 34.5 Ų | 34.5 | 25% | 0.251 | 19% | 0.19 | S | C | . | . | trans | -52.3 | 134.2 | 179.9 | -53.6 | -10.8 | 0 | 0 | 0 | 112.6 | G154 K163 | G154-N156 PolarHBondContact O-N 2.81Å; G154-N156 VanDerWaalsContact O-N 3.14Å; N156-K163 WeakPolarHBondContact OD1-CE 3.43Å | ||
| 157 | S | 67.6 | Low | 84.1 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | trans | -100 | 174.4 | 154.8 | 72.3 | 0 | 0 | 0 | 0 | 109.9 | L155 D159 Y160 | L155-S157 PolarHBondContact O-N 3.04Å; S157-D159 PolarHBondContact O-N 3.39Å; S157-Y160 PolarHBondContact N-O 2.95Å; S157-Y160 PolarHBondContact OG-N 3.4Å | ||
| 158 | S | 61.6 | Low | 84.2 | Confident | 103 Ų | 103 | 31 Ų | 31 | 72% | 0.72 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -61.1 | -35.2 | 177.1 | 43 | 0 | 0 | 0 | 0 | 112.7 | ||
| 159 | D | 61.4 | Low | 84.2 | Confident | 112 Ų | 112 | 29.9 Ų | 29.9 | 60% | 0.599 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -99.7 | -17.4 | -166.5 | -62.1 | 28.2 | 0 | 0 | 0 | 112 | S157 | S157-D159 PolarHBondContact O-N 3.39Š|
| 160 | Y | 67.4 | Low | 84.2 | Confident | 75 Ų | 75 | 30 Ų | 30 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | trans | -137.5 | 105.7 | -176 | -60 | -80.5 | 0 | 0 | 0 | 111.4 | S157 E242 | S157-Y160 PolarHBondContact N-O 2.95Å; S157-Y160 PolarHBondContact OG-N 3.4Å; Y160-E242 HydrophobicContact CD2-CB 4.48Å; Y160-E242 HydrophobicContact CD2-CG 3.96Å; Y160-E242 HydrophobicContact CE2-CB 3.62Å; Y160-E242 HydrophobicContact CE2-CG 3.57Å | ||
| 161 | T | 69.5 | Low | 84 | Confident | 73 Ų | 73 | 29.8 Ų | 29.8 | 45% | 0.448 | 17% | 0.17 | S | C | . | . | trans | -106.8 | 16.3 | -174.6 | 57.6 | 0 | 0 | 0 | 0 | 114 | K163 | T161-K163 PolarHBondContact O-N 3.12Š| ||
| 162 | S | 83.8 | Confident | 83.8 | Confident | 46 Ų | 46 | 31 Ų | 31 | 32% | 0.322 | 18% | 0.182 | S | C | . | . | trans | -64.3 | 130.6 | 177.6 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | S514 | S162-S514 VanDerWaalsContact CA-O 3.29Å; S162-S514 WeakPolarHBondContact CA-O 3.31Å | ||
| 163 | K | 88.5 | Confident | 83.4 | Confident | 18 Ų | 18 | 35.3 Ų | 35.3 | 8% | 0.078 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143.3 | 179.9 | -71.9 | -176.9 | -179.2 | -176.5 | 0 | 110.5 | N156 T161 D311 S514 T515 T516 | N156-K163 WeakPolarHBondContact OD1-CE 3.43Å; T161-K163 PolarHBondContact O-N 3.12Å; K163-D311 IonicContact NZ-OD1 2.77Å; K163-D311 PolarHBondContact NZ-OD1 3.5Å; K163-D311 IonicContact NZ-OD2 2.67Å; K163-D311 PolarHBondContact NZ-OD2 2.9Å; K163-S514 PolarHBondContact N-O 2.93Å; K163-S514 VanDerWaalsContact N-O 3.07Å; K163-T515 HydrophobicContact CB-CG2 3.85Å; K163-T515 CarbonylContact O-C 3.58Å; K163-T515 WeakPolarHBondContact O-CA 3.33Å; K163-T516 PolarHBondContact O-N 3.44Å |
| 164 | T | 92 | Very high | 83 | Confident | 12 Ų | 12 | 34.4 Ų | 34.4 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 105.7 | 173.9 | -71.8 | 0 | 0 | 0 | 0 | 110.2 | E151 E152 T516 R518 | E151-T164 PolarHBondContact O-N 3.16Å; E152-T164 HydrophobicContact CG-CG2 4.07Å; T164-T516 WeakPolarHBondContact CA-O 3.02Å; T164-R518 HydrophobicContact CG2-CG 4.4Å; T164-R518 VanDerWaalsContact CG2-CZ 3.44Å |
| 165 | I | 92.8 | Very high | 83.1 | Confident | 18 Ų | 18 | 34 Ų | 34 | 9% | 0.092 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.1 | 179 | -58.5 | 175.5 | 0 | 0 | 0 | 108.8 | V167 Y292 I307 T515 T516 L517 R518 F552 | I165-V167 HydrophobicContact CG2-CG2 4.37Å; I165-Y292 HydrophobicContact CG2-CD2 3.82Å; I165-Y292 HydrophobicContact CG2-CE2 3.89Å; I165-I307 HydrophobicContact CD1-CG2 3.87Å; I165-I307 HydrophobicContact CG2-CG2 4.09Å; I165-T515 HydrophobicContact CD1-CG2 4.14Å; I165-T515 HydrophobicContact CG1-CG2 4.42Å; I165-T516 PolarHBondContact N-O 2.91Å; I165-L517 HydrophobicContact CB-CD1 3.77Å; I165-L517 HydrophobicContact CG2-CD1 3.6Å; I165-L517 WeakPolarHBondContact O-CA 3.3Å; I165-R518 PolarHBondContact O-N 3.34Å; I165-F552 HydrophobicContact CD1-CE1 4.22Å |
| 166 | T | 95 | Very high | 83.2 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133 | 177.1 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | L168 T291 Y292 R518 V520 | T166-L168 HydrophobicContact CG2-CD2 4.42Å; T166-T291 HydrophobicContact CG2-CG2 4.07Å; T166-T291 WeakPolarHBondContact O-CA 3.41Å; T166-Y292 PolarHBondContact O-N 3.48Å; T166-R518 HydrophobicContact CG2-CB 4.36Å; T166-V520 HydrophobicContact CG2-CG2 4Å |
| 167 | V | 95.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.7 | -175.6 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | I165 L169 Y292 F294 L304 I307 L517 R518 V520 | I165-V167 HydrophobicContact CG2-CG2 4.37Å; V167-L169 HydrophobicContact CG1-CD2 3.72Å; V167-L169 HydrophobicContact CG1-CG 4.13Å; V167-Y292 CarbonylContact C-O 3.6Å; V167-Y292 VanDerWaalsContact CA-O 3.31Å; V167-Y292 WeakPolarHBondContact CA-O 3.43Å; V167-F294 HydrophobicContact CG1-CD2 3.68Å; V167-F294 HydrophobicContact CG1-CE2 4.16Å; V167-L304 HydrophobicContact CG1-CD2 3.97Å; V167-L304 HydrophobicContact CG2-CD2 4.48Å; V167-I307 HydrophobicContact CG2-CD1 3.42Å; V167-I307 VanDerWaalsContact CG2-CD1 3.42Å; V167-L517 HydrophobicContact CG2-CD1 3.61Å; V167-R518 PolarHBondContact N-O 3.13Å; V167-V520 WeakPolarHBondContact O-CA 3.36Å; V167-V520 WeakPolarHBondContact O-CB 3.35Å; V167-V520 PolarHBondContact O-N 2.27Å |
| 168 | L | 96.3 | Very high | 85.2 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 105.8 | 175 | -45.4 | -178.1 | 0 | 0 | 0 | 108.4 | T166 M170 A183 L186 Y292 M293 F294 V520 F522 | T166-L168 HydrophobicContact CG2-CD2 4.42Å; L168-M170 HydrophobicContact CB-SD 4.27Å; L168-A183 HydrophobicContact CD1-CB 3.76Å; L168-L186 HydrophobicContact CD1-CB 4.43Å; L168-L186 HydrophobicContact CD1-CD1 4.32Å; L168-Y292 PolarHBondContact N-O 2.85Å; L168-M293 HydrophobicContact CB-CB 4.5Å; L168-M293 HydrophobicContact CB-CG 4.39Å; L168-M293 WeakPolarHBondContact O-CA 3.46Å; L168-F294 PolarHBondContact O-N 3.46Å; L168-V520 HydrophobicContact CD2-CB 3.94Å; L168-V520 HydrophobicContact CD2-CG1 4.41Å; L168-V520 HydrophobicContact CD2-CG2 4.08Å; L168-F522 HydrophobicContact CB-CE2 4.31Å; L168-F522 HydrophobicContact CD2-CE2 4.18Å |
| 169 | L | 94.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117 | 173.5 | -61.7 | -172.8 | 0 | 0 | 0 | 109.6 | V167 F294 W296 F301 V303 L304 V519 V520 V521 F522 | V167-L169 HydrophobicContact CG1-CD2 3.72Å; V167-L169 HydrophobicContact CG1-CG 4.13Å; L169-F294 HydrophobicContact CD2-CB 3.94Å; L169-F294 HydrophobicContact CD2-CD2 4.41Å; L169-W296 HydrophobicContact CB-CB 4.01Å; L169-W296 HydrophobicContact CB-CD2 4.1Å; L169-W296 HydrophobicContact CB-CE3 4.07Å; L169-W296 HydrophobicContact CB-CG 4.09Å; L169-W296 HydrophobicContact CD1-CD2 4.03Å; L169-W296 HydrophobicContact CD1-CE3 4.48Å; L169-W296 HydrophobicContact CD1-CG 4.15Å; L169-W296 HydrophobicContact CD2-CB 4.33Å; L169-W296 HydrophobicContact CD2-CG 4.38Å; L169-W296 HydrophobicContact CG-CG 4.44Å; L169-F301 HydrophobicContact CD1-CD1 3.87Å; L169-F301 HydrophobicContact CD1-CE1 3.75Å; L169-V303 HydrophobicContact CD2-CG1 4.16Å; L169-L304 HydrophobicContact CD2-CD2 4.23Å; L169-V519 HydrophobicContact CD1-CG1 3.48Å; L169-V519 VanDerWaalsContact CD1-CG1 3.48Å; L169-V519 HydrophobicContact CG-CG1 3.99Å; L169-V520 PolarHBondContact N-O 3.11Å; L169-V521 HydrophobicContact CB-CG2 4.33Å; L169-V521 HydrophobicContact CD1-CG2 4.47Å; L169-F522 PolarHBondContact O-N 2.72Å |
| 170 | M | 92.4 | Very high | 87.9 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 148.7 | -172.3 | -57.2 | 176.5 | 86.2 | 0 | 0 | 110.4 | L168 V175 F179 L180 A183 M293 F294 H295 W296 F522 | L168-M170 HydrophobicContact CB-SD 4.27Å; M170-V175 HydrophobicContact CE-CG1 3.76Å; M170-F179 HydrophobicContact CE-CB 4.36Å; M170-L180 HydrophobicContact CB-CD2 4.08Å; M170-L180 HydrophobicContact CE-CD2 4.04Å; M170-L180 HydrophobicContact SD-CD2 4.43Å; M170-A183 HydrophobicContact CE-CB 3.85Å; M170-A183 HydrophobicContact SD-CB 3.24Å; M170-A183 WeakPolarHBondContact SD-CB 3.23Å; M170-M293 HydrophobicContact SD-CG 4.35Å; M170-M293 HydrophobicContact SD-SD 4.31Å; M170-F294 PolarHBondContact N-O 3.04Å; M170-H295 WeakPolarHBondContact O-CA 3.5Å; M170-W296 PolarHBondContact O-N 2.8Å; M170-F522 HydrophobicContact CE-CB 4.26Å; M170-F522 HydrophobicContact CE-CD1 4.2Å; M170-F522 HydrophobicContact CE-CD2 3.95Å; M170-F522 HydrophobicContact CE-CE2 4.33Å; M170-F522 HydrophobicContact CE-CG 3.88Å; M170-F522 HydrophobicContact CG-CB 4.32Å; M170-F522 HydrophobicContact CG-CD2 3.67Å; M170-F522 HydrophobicContact CG-CE2 4.34Å; M170-F522 HydrophobicContact CG-CG 4.24Å; M170-F522 HydrophobicContact SD-CD2 4.02Å; M170-F522 HydrophobicContact SD-CE2 4.22Å |
| 171 | N | 87.9 | Confident | 89.1 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | trans | -121.4 | 123.7 | 168 | 179.5 | 5.9 | 0 | 0 | 0 | 109.2 | D173 E174 V175 H295 K822 | N171-D173 PolarHBondContact ND2-OD2 3.09Å; N171-D173 VanDerWaalsContact ND2-OD2 3.15Å; N171-D173 PolarHBondContact O-N 3.23Å; N171-D173 PolarHBondContact OD1-N 3.33Å; N171-E174 HydrophobicContact CB-CB 4.11Å; N171-E174 HydrophobicContact CB-CG 4.1Å; N171-E174 WeakPolarHBondContact CB-OE2 3.48Å; N171-E174 PolarHBondContact ND2-OE1 2.95Å; N171-E174 PolarHBondContact O-N 3.16Å; N171-V175 PolarHBondContact O-N 2.8Å; N171-V175 VanDerWaalsContact O-N 3.11Å; N171-H295 PolarHBondContact OD1-CE1 2.68Å; N171-K822 PolarHBondContact ND2-NZ 3.28Å | ||
| 172 | P | 87.2 | Confident | 90.1 | Very high | 74 Ų | 74 | 26.4 Ų | 26.4 | 48% | 0.481 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.5 | 173.8 | -26.4 | 36.6 | 0 | 0 | 0 | 116.2 | E174 L180 H295 | P172-E174 PolarHBondContact O-N 2.95Å; P172-L180 HydrophobicContact CB-CD1 3.74Å; P172-L180 HydrophobicContact CG-CD1 4Å; P172-L180 HydrophobicContact CG-CD2 4.32Å; P172-H295 VanDerWaalsContact CD-CE1 3.46Å; P172-H295 WeakPolarHBondContact CD-CE1 3.47Å; P172-H295 VanDerWaalsContact CD-ND1 3.27Å; P172-H295 WeakPolarHBondContact CD-ND1 3.29Å |
| 173 | D | 83.4 | Confident | 90.5 | Very high | 95 Ų | 95 | 24.4 Ų | 24.4 | 51% | 0.508 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19.4 | 169.9 | -57.9 | -34.1 | 0 | 0 | 0 | 113.1 | N171 R563 K822 | N171-D173 PolarHBondContact ND2-OD2 3.09Å; N171-D173 VanDerWaalsContact ND2-OD2 3.15Å; N171-D173 PolarHBondContact O-N 3.23Å; N171-D173 PolarHBondContact OD1-N 3.33Å; D173-R563 PolarHBondContact O-NH1 2.76Å; D173-K822 IonicContact OD2-NZ 3.28Å; D173-K822 PolarHBondContact OD2-NZ 3.42Å |
| 174 | E | 82.9 | Confident | 90.6 | Very high | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -16.8 | -162.9 | -65.2 | 161.3 | -156.3 | 0 | 0 | 112.3 | N171 P172 V527 K530 K822 | N171-E174 HydrophobicContact CB-CB 4.11Å; N171-E174 HydrophobicContact CB-CG 4.1Å; N171-E174 WeakPolarHBondContact CB-OE2 3.48Å; N171-E174 PolarHBondContact ND2-OE1 2.95Å; N171-E174 PolarHBondContact O-N 3.16Å; P172-E174 PolarHBondContact O-N 2.95Å; E174-V527 HydrophobicContact CB-CG2 4.36Å; E174-V527 HydrophobicContact CG-CG2 4.47Å; E174-V527 WeakPolarHBondContact OE2-CG2 3.45Å; E174-K530 IonicContact OE1-NZ 3.39Å; E174-K530 PolarHBondContact OE1-NZ 2.75Å; E174-K530 IonicContact OE2-NZ 2.75Å; E174-K530 PolarHBondContact OE2-NZ 3.05Å; E174-K530 VanDerWaalsContact OE2-NZ 3.13Å; E174-K822 IonicContact OE1-NZ 3.13Å |
| 175 | V | 88.1 | Confident | 90.5 | Very high | 8 Ų | 8 | 28.2 Ų | 28.2 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -130.9 | 133.2 | -171.9 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | M170 N171 F179 L180 F522 V561 | M170-V175 HydrophobicContact CE-CG1 3.76Å; N171-V175 PolarHBondContact O-N 2.8Å; N171-V175 VanDerWaalsContact O-N 3.11Å; V175-F179 HydrophobicContact CG1-CB 3.56Å; V175-F179 HydrophobicContact CG1-CD1 4.46Å; V175-F179 HydrophobicContact CG1-CG 4.31Å; V175-L180 HydrophobicContact CB-CD2 4.33Å; V175-L180 HydrophobicContact CG1-CD2 4.43Å; V175-F522 HydrophobicContact CG1-CB 4.49Å; V175-F522 HydrophobicContact CG2-CB 3.88Å; V175-V561 HydrophobicContact CG1-CG1 4.39Å |
| 176 | P | 88.4 | Confident | 90.4 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 8% | 0.078 | 17% | 0.167 | C | C | . | . | trans | -57 | 147.5 | 179.8 | -27.8 | 35.6 | 0 | 0 | 0 | 114.4 | D178 F179 L180 V561 D564 | P176-D178 PolarHBondContact O-N 2.67Å; P176-F179 WeakPolarHBondContact O-CB 3.34Å; P176-F179 PolarHBondContact O-N 2.81Å; P176-L180 PolarHBondContact O-N 2.72Å; P176-V561 HydrophobicContact CG-CG1 4.15Å; P176-D564 WeakPolarHBondContact CG-OD2 3.48Å | ||
| 177 | A | 89.1 | Confident | 90.1 | Very high | 75 Ų | 75 | 29.4 Ų | 29.4 | 62% | 0.62 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -57.5 | -34.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F179 L180 A181 | A177-F179 VanDerWaalsContact C-N 3.32Å; A177-F179 PolarHBondContact O-N 2.84Å; A177-L180 PolarHBondContact O-N 2.67Å; A177-A181 WeakPolarHBondContact O-CB 3.46Å; A177-A181 PolarHBondContact O-N 3.26Å |
| 178 | D | 89.8 | Confident | 89.6 | Confident | 69 Ų | 69 | 37.5 Ų | 37.5 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.5 | -42.6 | 174.6 | -65 | -17.7 | 0 | 0 | 0 | 111.8 | P176 A181 V182 T626 C630 | P176-D178 PolarHBondContact O-N 2.67Å; D178-A181 PolarHBondContact O-N 2.83Å; D178-V182 WeakPolarHBondContact O-CG2 3.47Å; D178-V182 PolarHBondContact O-N 2.93Å; D178-T626 VanDerWaalsContact OD2-CB 3.3Å; D178-T626 WeakPolarHBondContact OD2-CB 3.46Å; D178-T626 PolarHBondContact OD2-OG1 3.25Å; D178-C630 HydrophobicContact CB-CB 3.81Å |
| 179 | F | 90.6 | Very high | 89 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71 | -39.6 | -179.4 | -84.3 | -127.4 | 0 | 0 | 0 | 111.1 | M170 V175 P176 A177 A181 V182 A183 F522 V561 T626 C630 L652 | M170-F179 HydrophobicContact CE-CB 4.36Å; V175-F179 HydrophobicContact CG1-CB 3.56Å; V175-F179 HydrophobicContact CG1-CD1 4.46Å; V175-F179 HydrophobicContact CG1-CG 4.31Å; P176-F179 WeakPolarHBondContact O-CB 3.34Å; P176-F179 PolarHBondContact O-N 2.81Å; A177-F179 VanDerWaalsContact C-N 3.32Å; A177-F179 PolarHBondContact O-N 2.84Å; F179-A181 VanDerWaalsContact C-N 3.34Å; F179-V182 PolarHBondContact O-N 3.5Å; F179-A183 PolarHBondContact O-N 3.05Å; F179-F522 HydrophobicContact CD1-CD1 4.18Å; F179-F522 HydrophobicContact CD1-CE1 4.45Å; F179-V561 HydrophobicContact CD1-CG2 4.07Å; F179-V561 HydrophobicContact CE1-CG2 4Å; F179-T626 HydrophobicContact CE2-CG2 3.97Å; F179-C630 VanDerWaalsContact CD2-SG 3.57Å; F179-L652 HydrophobicContact CB-CD2 4.2Å; F179-L652 HydrophobicContact CD1-CD1 4.27Å; F179-L652 HydrophobicContact CD1-CD2 3.55Å; F179-L652 HydrophobicContact CD2-CD2 3.89Å; F179-L652 HydrophobicContact CE1-CD1 3.75Å; F179-L652 HydrophobicContact CE1-CD2 3.79Å; F179-L652 HydrophobicContact CE1-CG 4.46Å; F179-L652 HydrophobicContact CE2-CD2 4.1Å; F179-L652 HydrophobicContact CG-CD2 3.59Å; F179-L652 HydrophobicContact CZ-CD1 4.03Å; F179-L652 HydrophobicContact CZ-CD2 4.06Å |
| 180 | L | 91 | Very high | 88.2 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 173.5 | -60.6 | 170.2 | 0 | 0 | 0 | 111.1 | M170 P172 V175 P176 A177 V182 A183 E184 | M170-L180 HydrophobicContact CB-CD2 4.08Å; M170-L180 HydrophobicContact CE-CD2 4.04Å; M170-L180 HydrophobicContact SD-CD2 4.43Å; P172-L180 HydrophobicContact CB-CD1 3.74Å; P172-L180 HydrophobicContact CG-CD1 4Å; P172-L180 HydrophobicContact CG-CD2 4.32Å; V175-L180 HydrophobicContact CB-CD2 4.33Å; V175-L180 HydrophobicContact CG1-CD2 4.43Å; P176-L180 PolarHBondContact O-N 2.72Å; A177-L180 PolarHBondContact O-N 2.67Å; L180-V182 PolarHBondContact O-N 2.83Å; L180-A183 PolarHBondContact O-N 3.43Å; L180-E184 WeakPolarHBondContact O-CB 3.45Å; L180-E184 PolarHBondContact O-N 3.36Å |
| 181 | A | 91.2 | Very high | 87.7 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 49% | 0.488 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A177 D178 F179 Q185 | A177-A181 WeakPolarHBondContact O-CB 3.46Å; A177-A181 PolarHBondContact O-N 3.26Å; D178-A181 PolarHBondContact O-N 2.83Å; F179-A181 VanDerWaalsContact C-N 3.34Å; A181-Q185 WeakPolarHBondContact O-CB 3.1Å; A181-Q185 PolarHBondContact O-N 2.83Å |
| 182 | V | 91.3 | Very high | 87.7 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 173.9 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | D178 F179 L180 Q185 L186 C630 P650 L652 A653 | D178-V182 WeakPolarHBondContact O-CG2 3.47Å; D178-V182 PolarHBondContact O-N 2.93Å; F179-V182 PolarHBondContact O-N 3.5Å; L180-V182 PolarHBondContact O-N 2.83Å; V182-Q185 PolarHBondContact O-N 3.1Å; V182-L186 PolarHBondContact O-N 3.2Å; V182-C630 HydrophobicContact CG2-CB 3.74Å; V182-P650 HydrophobicContact CG1-CB 4.12Å; V182-P650 HydrophobicContact CG1-CG 4.17Å; V182-P650 HydrophobicContact CG2-CB 3.88Å; V182-P650 HydrophobicContact CG2-CG 3.98Å; V182-L652 HydrophobicContact CB-CD2 4.14Å; V182-L652 HydrophobicContact CG1-CB 4.24Å; V182-L652 HydrophobicContact CG1-CD2 4.19Å; V182-L652 HydrophobicContact CG1-CG 4.35Å; V182-L652 HydrophobicContact CG2-CD2 4.27Å; V182-A653 HydrophobicContact CG1-CB 3.83Å |
| 183 | A | 91.7 | Very high | 87.8 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.8 | -40 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L168 M170 F179 L180 Q185 L186 S187 M293 | L168-A183 HydrophobicContact CD1-CB 3.76Å; M170-A183 HydrophobicContact CE-CB 3.85Å; M170-A183 HydrophobicContact SD-CB 3.24Å; M170-A183 WeakPolarHBondContact SD-CB 3.23Å; F179-A183 PolarHBondContact O-N 3.05Å; L180-A183 PolarHBondContact O-N 3.43Å; A183-Q185 VanDerWaalsContact C-N 3.34Å; A183-Q185 PolarHBondContact O-N 3.41Å; A183-L186 PolarHBondContact O-N 2.76Å; A183-S187 PolarHBondContact O-N 3.31Å; A183-S187 PolarHBondContact O-OG 3.48Å; A183-M293 HydrophobicContact CB-CG 4.38Å; A183-M293 HydrophobicContact CB-SD 3.77Å |
| 184 | E | 90.9 | Very high | 88.2 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 169.5 | -83.5 | -168.9 | -157.3 | 0 | 0 | 111.1 | L180 S187 R188 M293 | L180-E184 WeakPolarHBondContact O-CB 3.45Å; L180-E184 PolarHBondContact O-N 3.36Å; E184-S187 PolarHBondContact O-N 3.09Å; E184-S187 PolarHBondContact O-OG 2.99Å; E184-R188 VanDerWaalsContact O-CG 3.32Å; E184-R188 WeakPolarHBondContact O-CG 3.48Å; E184-R188 PolarHBondContact O-N 3.15Å; E184-R188 VanDerWaalsContact O-N 3.12Å; E184-R188 IonicContact OE2-CZ 3.65Å; E184-R188 IonicContact OE2-NH1 2.64Å; E184-R188 PolarHBondContact OE2-NH1 3.06Å; E184-R188 IonicContact OE2-NH2 3.78Å; E184-R188 PolarHBondContact OE2-NH2 3.41Å; E184-M293 HydrophobicContact CG-CE 3.59Å; E184-M293 HydrophobicContact CG-SD 4.05Å |
| 185 | Q | 89.9 | Confident | 88.5 | Confident | 38 Ų | 38 | 52.8 Ų | 52.8 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 176.4 | -176.5 | 179.3 | 0.6 | 0 | 0 | 111.1 | A181 V182 A183 S187 R188 I189 | A181-Q185 WeakPolarHBondContact O-CB 3.1Å; A181-Q185 PolarHBondContact O-N 2.83Å; V182-Q185 PolarHBondContact O-N 3.1Å; A183-Q185 VanDerWaalsContact C-N 3.34Å; A183-Q185 PolarHBondContact O-N 3.41Å; Q185-S187 VanDerWaalsContact C-N 3.31Å; Q185-S187 PolarHBondContact O-N 3.2Å; Q185-R188 PolarHBondContact O-N 2.98Å; Q185-R188 VanDerWaalsContact O-N 3.09Å; Q185-I189 HydrophobicContact CG-CD1 4.24Å; Q185-I189 WeakPolarHBondContact O-CG1 3.38Å; Q185-I189 PolarHBondContact O-N 3.02Å; Q185-I189 VanDerWaalsContact O-N 3.16Å |
| 186 | L | 89.7 | Confident | 88.8 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57 | -41.4 | 176.2 | -85.1 | 173.9 | 0 | 0 | 0 | 112.8 | L168 V182 A183 R188 I189 T288 T291 L649 A653 L657 | L168-L186 HydrophobicContact CD1-CB 4.43Å; L168-L186 HydrophobicContact CD1-CD1 4.32Å; V182-L186 PolarHBondContact O-N 3.2Å; A183-L186 PolarHBondContact O-N 2.76Å; L186-R188 VanDerWaalsContact C-N 3.26Å; L186-R188 PolarHBondContact O-N 2.64Å; L186-I189 PolarHBondContact O-N 3.4Å; L186-T288 HydrophobicContact CD2-CG2 3.66Å; L186-T291 PolarHBondContact O-OG1 3.35Å; L186-T291 VanDerWaalsContact O-OG1 3.12Å; L186-L649 HydrophobicContact CD2-CD2 4.16Å; L186-A653 HydrophobicContact CD1-CB 3.71Å; L186-A653 HydrophobicContact CD2-CB 3.93Å; L186-A653 HydrophobicContact CG-CB 3.87Å; L186-L657 HydrophobicContact CD2-CD1 4.09Å |
| 187 | S | 88.5 | Confident | 89.1 | Confident | 37 Ų | 37 | 52.4 Ų | 52.4 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.7 | -16.1 | 178.5 | 70.2 | 0 | 0 | 0 | 0 | 114.4 | A183 E184 Q185 T291 | A183-S187 PolarHBondContact O-N 3.31Å; A183-S187 PolarHBondContact O-OG 3.48Å; E184-S187 PolarHBondContact O-N 3.09Å; E184-S187 PolarHBondContact O-OG 2.99Å; Q185-S187 VanDerWaalsContact C-N 3.31Å; Q185-S187 PolarHBondContact O-N 3.2Å; S187-T291 WeakPolarHBondContact CA-O 3.36Å; S187-T291 PolarHBondContact N-OG1 3.2Å |
| 188 | R | 86.9 | Confident | 89.3 | Confident | 171 Ų | 171 | 49 Ų | 49 | 65% | 0.645 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -95.9 | -14 | 177.6 | -71.5 | 173 | -176.5 | 136.5 | 11.1 | 113.5 | E184 Q185 L186 Q190 | E184-R188 VanDerWaalsContact O-CG 3.32Å; E184-R188 WeakPolarHBondContact O-CG 3.48Å; E184-R188 PolarHBondContact O-N 3.15Å; E184-R188 VanDerWaalsContact O-N 3.12Å; E184-R188 IonicContact OE2-CZ 3.65Å; E184-R188 IonicContact OE2-NH1 2.64Å; E184-R188 PolarHBondContact OE2-NH1 3.06Å; E184-R188 IonicContact OE2-NH2 3.78Å; E184-R188 PolarHBondContact OE2-NH2 3.41Å; Q185-R188 PolarHBondContact O-N 2.98Å; Q185-R188 VanDerWaalsContact O-N 3.09Å; L186-R188 VanDerWaalsContact C-N 3.26Å; L186-R188 PolarHBondContact O-N 2.64Å; R188-Q190 PolarHBondContact O-N 3.44Å |
| 189 | I | 84.1 | Confident | 89.5 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.108 | 23% | 0.23 | C | C | . | . | trans | -74.8 | 112.2 | 176.5 | -70.4 | 165.3 | 0 | 0 | 0 | 108.7 | Q185 L186 H191 T288 L649 | Q185-I189 HydrophobicContact CG-CD1 4.24Å; Q185-I189 WeakPolarHBondContact O-CG1 3.38Å; Q185-I189 PolarHBondContact O-N 3.02Å; Q185-I189 VanDerWaalsContact O-N 3.16Å; L186-I189 PolarHBondContact O-N 3.4Å; I189-H191 WeakPolarHBondContact CG2-NE2 3.5Å; I189-T288 HydrophobicContact CB-CG2 4.48Å; I189-T288 HydrophobicContact CD1-CG2 4.35Å; I189-T288 HydrophobicContact CG2-CG2 4.08Å; I189-L649 HydrophobicContact CD1-CD2 3.49Å; I189-L649 VanDerWaalsContact CD1-CD2 3.49Å | ||
| 190 | Q | 76.9 | Confident | 89.8 | Confident | 162 Ų | 162 | 45.2 Ų | 45.2 | 76% | 0.757 | 23% | 0.227 | S | C | * | . | trans | -120 | 120.4 | 172.6 | -64.1 | -175.1 | -9.8 | 0 | 0 | 108.4 | R188 | R188-Q190 PolarHBondContact O-N 3.44Š| ||
| 191 | H | 81.3 | Confident | 90 | Very high | 53 Ų | 53 | 43.9 Ų | 43.9 | 25% | 0.245 | 22% | 0.22 | C | C | . | . | trans | -81.5 | 136.2 | 170.9 | -68.7 | -75.1 | 0 | 0 | 0 | 108.9 | I189 T288 | I189-H191 WeakPolarHBondContact CG2-NE2 3.5Å; H191-T288 WeakPolarHBondContact NE2-CA 3.32Å; H191-T288 WeakPolarHBondContact NE2-CB 3.48Å; H191-T288 PolarHBondContact NE2-N 3.28Å; H191-T288 PolarHBondContact NE2-OG1 3.09Å | ||
| 192 | S | 88.2 | Confident | 90.2 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | trans | -70.4 | 138.1 | 174.9 | 103.3 | 0 | 0 | 0 | 0 | 109.2 | K194 D195 T196 | S192-K194 PolarHBondContact O-N 3.14Å; S192-K194 VanDerWaalsContact O-N 3.13Å; S192-K194 PolarHBondContact OG-N 3.01Å; S192-D195 VanDerWaalsContact CB-OD2 3.3Å; S192-D195 WeakPolarHBondContact CB-OD2 3.46Å; S192-D195 PolarHBondContact O-N 3.03Å; S192-D195 VanDerWaalsContact OG-CG 3.26Å; S192-D195 PolarHBondContact OG-N 2.78Å; S192-D195 VanDerWaalsContact OG-N 3.15Å; S192-D195 PolarHBondContact OG-OD2 3.13Å; S192-T196 PolarHBondContact O-N 3.34Å; S192-T196 PolarHBondContact O-OG1 3.04Å | ||
| 193 | Q | 88.9 | Confident | 90.4 | Very high | 107 Ų | 107 | 41.7 Ų | 41.7 | 50% | 0.5 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.6 | -34.4 | 179 | -70.2 | -179.8 | -13 | 0 | 0 | 111.7 | L155 Y197 V227 | L155-Q193 HydrophobicContact CD2-CG 4.25Å; Q193-Y197 HydrophobicContact CB-CD2 4.5Å; Q193-Y197 HydrophobicContact CB-CE2 4.13Å; Q193-Y197 WeakPolarHBondContact O-CB 3.49Å; Q193-Y197 WeakPolarHBondContact O-CD2 3.46Å; Q193-Y197 PolarHBondContact O-N 2.94Å; Q193-V227 HydrophobicContact CB-CG1 4.24Å |
| 194 | K | 92.1 | Very high | 90.6 | Very high | 60 Ų | 60 | 41.7 Ų | 41.7 | 26% | 0.261 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.4 | -49.1 | 174.1 | 170.5 | 154.9 | -178.5 | 166.4 | 0 | 112 | S192 Y197 I198 E223 K225 V227 L230 | S192-K194 PolarHBondContact O-N 3.14Å; S192-K194 VanDerWaalsContact O-N 3.13Å; S192-K194 PolarHBondContact OG-N 3.01Å; K194-Y197 PolarHBondContact O-N 3.04Å; K194-I198 HydrophobicContact CG-CD1 3.79Å; K194-I198 WeakPolarHBondContact O-CB 3.34Å; K194-I198 WeakPolarHBondContact O-CG1 3.24Å; K194-I198 PolarHBondContact O-N 3.33Å; K194-E223 WeakPolarHBondContact CE-O 3.28Å; K194-E223 PolarHBondContact NZ-O 3.28Å; K194-K225 PolarHBondContact NZ-O 2.84Å; K194-V227 HydrophobicContact CB-CG2 4.4Å; K194-L230 HydrophobicContact CB-CD1 4.38Å; K194-L230 HydrophobicContact CD-CD1 3.98Å; K194-L230 HydrophobicContact CG-CD1 3.69Å |
| 195 | D | 90.7 | Very high | 90.8 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 28% | 0.278 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.9 | -41.1 | -179.1 | -65.9 | -49.9 | 0 | 0 | 0 | 111.4 | S192 I198 T199 Y645 | S192-D195 VanDerWaalsContact CB-OD2 3.3Å; S192-D195 WeakPolarHBondContact CB-OD2 3.46Å; S192-D195 PolarHBondContact O-N 3.03Å; S192-D195 VanDerWaalsContact OG-CG 3.26Å; S192-D195 PolarHBondContact OG-N 2.78Å; S192-D195 VanDerWaalsContact OG-N 3.15Å; S192-D195 PolarHBondContact OG-OD2 3.13Å; D195-I198 PolarHBondContact O-N 2.73Å; D195-T199 WeakPolarHBondContact O-CB 3.43Å; D195-T199 PolarHBondContact O-N 3.23Å; D195-T199 PolarHBondContact O-OG1 3.09Å; D195-Y645 HydrophobicContact CB-CE1 4.36Å; D195-Y645 WeakPolarHBondContact CB-OH 3.5Å; D195-Y645 PolarHBondContact O-OH 3.08Å |
| 196 | T | 92.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 174.6 | -47.5 | 0 | 0 | 0 | 0 | 111.8 | V149 Q153 L155 S192 T199 L200 | V149-T196 HydrophobicContact CG1-CG2 3.91Å; Q153-T196 HydrophobicContact CB-CG2 4.43Å; Q153-T196 HydrophobicContact CG-CG2 4.04Å; L155-T196 HydrophobicContact CD1-CG2 3.6Å; S192-T196 PolarHBondContact O-N 3.34Å; S192-T196 PolarHBondContact O-OG1 3.04Å; T196-T199 PolarHBondContact O-N 3.45Å; T196-L200 HydrophobicContact CG2-CD1 3.9Å; T196-L200 WeakPolarHBondContact O-CB 3.27Å; T196-L200 VanDerWaalsContact O-CG 3.3Å; T196-L200 WeakPolarHBondContact O-CG 3.47Å; T196-L200 PolarHBondContact O-N 2.92Å |
| 197 | Y | 94.8 | Very high | 91.3 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 174.3 | -67 | -39.1 | 0 | 0 | 0 | 111.9 | L155 Q193 K194 T199 L200 I201 V227 L230 K231 F234 | L155-Y197 HydrophobicContact CB-CE1 4.46Å; L155-Y197 HydrophobicContact CD1-CD1 4.16Å; L155-Y197 HydrophobicContact CD1-CE1 3.89Å; L155-Y197 HydrophobicContact CD2-CE1 3.92Å; L155-Y197 HydrophobicContact CG-CE1 4.32Å; Q193-Y197 HydrophobicContact CB-CD2 4.5Å; Q193-Y197 HydrophobicContact CB-CE2 4.13Å; Q193-Y197 WeakPolarHBondContact O-CB 3.49Å; Q193-Y197 WeakPolarHBondContact O-CD2 3.46Å; Q193-Y197 PolarHBondContact O-N 2.94Å; K194-Y197 PolarHBondContact O-N 3.04Å; Y197-T199 VanDerWaalsContact C-N 3.31Å; Y197-T199 PolarHBondContact O-N 2.96Å; Y197-L200 PolarHBondContact O-N 3.29Å; Y197-I201 WeakPolarHBondContact O-CB 3.43Å; Y197-I201 WeakPolarHBondContact O-CD1 3.19Å; Y197-I201 WeakPolarHBondContact O-CG1 3.08Å; Y197-I201 PolarHBondContact O-N 3.44Å; Y197-V227 HydrophobicContact CD2-CG1 4.49Å; Y197-V227 HydrophobicContact CE2-CG1 4.16Å; Y197-L230 HydrophobicContact CD2-CB 4.1Å; Y197-K231 HydrophobicContact CD2-CB 4.47Å; Y197-K231 HydrophobicContact CE2-CB 3.75Å; Y197-K231 HydrophobicContact CE2-CG 4.33Å; Y197-F234 HydrophobicContact CD1-CB 3.63Å; Y197-F234 AromaticContact CD1-CD1 3.56Å; Y197-F234 HydrophobicContact CD1-CD1 3.56Å; Y197-F234 HydrophobicContact CD1-CD2 4.09Å; Y197-F234 HydrophobicContact CD1-CE1 4.26Å; Y197-F234 AromaticContact CD1-CG 3.44Å; Y197-F234 HydrophobicContact CD1-CG 3.44Å; Y197-F234 VanDerWaalsContact CD1-CG 3.44Å; Y197-F234 HydrophobicContact CE1-CB 4.15Å; Y197-F234 AromaticContact CE1-CD1 3.35Å; Y197-F234 HydrophobicContact CE1-CD1 3.35Å; Y197-F234 AromaticContact CE1-CE1 3.9Å; Y197-F234 HydrophobicContact CE1-CE1 3.9Å; Y197-F234 AromaticContact CE1-CG 3.79Å; Y197-F234 HydrophobicContact CE1-CG 3.79Å; Y197-F234 HydrophobicContact CG-CB 4.16Å; Y197-F234 HydrophobicContact CG-CG 4.42Å |
| 198 | I | 94.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 176.5 | -72.6 | 169.1 | 0 | 0 | 0 | 110.8 | K194 D195 K202 L222 L230 | K194-I198 HydrophobicContact CG-CD1 3.79Å; K194-I198 WeakPolarHBondContact O-CB 3.34Å; K194-I198 WeakPolarHBondContact O-CG1 3.24Å; K194-I198 PolarHBondContact O-N 3.33Å; D195-I198 PolarHBondContact O-N 2.73Å; I198-K202 HydrophobicContact CG2-CD 3.84Å; I198-K202 HydrophobicContact CG2-CG 4.45Å; I198-K202 VanDerWaalsContact O-CB 3.29Å; I198-K202 WeakPolarHBondContact O-CB 3.32Å; I198-K202 WeakPolarHBondContact O-CG 3.38Å; I198-K202 PolarHBondContact O-N 2.81Å; I198-L222 HydrophobicContact CD1-CB 4.47Å; I198-L222 HydrophobicContact CG1-CB 3.95Å; I198-L230 HydrophobicContact CD1-CD1 4.14Å; I198-L230 HydrophobicContact CG1-CD1 4.08Å; I198-L230 HydrophobicContact CG1-CD2 4.19Å |
| 199 | T | 94.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.2 | -42.9 | 177.3 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | D195 T196 Y197 K202 H203 Y645 | D195-T199 WeakPolarHBondContact O-CB 3.43Å; D195-T199 PolarHBondContact O-N 3.23Å; D195-T199 PolarHBondContact O-OG1 3.09Å; T196-T199 PolarHBondContact O-N 3.45Å; Y197-T199 VanDerWaalsContact C-N 3.31Å; Y197-T199 PolarHBondContact O-N 2.96Å; T199-K202 PolarHBondContact O-N 3.34Å; T199-H203 WeakPolarHBondContact O-CB 3.37Å; T199-H203 PolarHBondContact O-N 3.5Å; T199-Y645 VanDerWaalsContact OG1-CE1 3.32Å; T199-Y645 WeakPolarHBondContact OG1-CE1 3.11Å; T199-Y645 PolarHBondContact OG1-OH 3.4Å |
| 200 | L | 95.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.7 | -41.6 | 178.3 | -74.5 | 165.2 | 0 | 0 | 0 | 112.4 | F145 Q146 V149 L155 T196 Y197 H203 A204 F234 | F145-L200 HydrophobicContact CD1-CD2 4.1Å; F145-L200 HydrophobicContact CE1-CD2 4.04Å; Q146-L200 HydrophobicContact CB-CD2 4.4Å; Q146-L200 HydrophobicContact CG-CD2 4.41Å; V149-L200 HydrophobicContact CB-CD2 4.01Å; V149-L200 HydrophobicContact CG1-CD1 4.09Å; V149-L200 HydrophobicContact CG1-CD2 3.99Å; V149-L200 HydrophobicContact CG1-CG 4.24Å; L155-L200 HydrophobicContact CD1-CD1 3.85Å; T196-L200 HydrophobicContact CG2-CD1 3.9Å; T196-L200 WeakPolarHBondContact O-CB 3.27Å; T196-L200 VanDerWaalsContact O-CG 3.3Å; T196-L200 WeakPolarHBondContact O-CG 3.47Å; T196-L200 PolarHBondContact O-N 2.92Å; Y197-L200 PolarHBondContact O-N 3.29Å; L200-H203 PolarHBondContact O-N 2.8Å; L200-A204 PolarHBondContact O-N 3.22Å; L200-F234 HydrophobicContact CB-CD2 3.93Å; L200-F234 HydrophobicContact CB-CE2 3.91Å; L200-F234 HydrophobicContact CD1-CD2 4.1Å; L200-F234 HydrophobicContact CD1-CE2 3.52Å; L200-F234 HydrophobicContact CD1-CZ 4.03Å; L200-F234 HydrophobicContact CG-CE2 4.21Å |
| 201 | I | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.9 | -46.8 | 174.8 | -62 | 159.1 | 0 | 0 | 0 | 110.1 | Y197 H203 A204 F205 L222 L230 I233 F234 V237 | Y197-I201 WeakPolarHBondContact O-CB 3.43Å; Y197-I201 WeakPolarHBondContact O-CD1 3.19Å; Y197-I201 WeakPolarHBondContact O-CG1 3.08Å; Y197-I201 PolarHBondContact O-N 3.44Å; I201-H203 VanDerWaalsContact C-N 3.28Å; I201-H203 PolarHBondContact O-N 2.87Å; I201-A204 PolarHBondContact O-N 3.42Å; I201-F205 HydrophobicContact CG2-CD2 3.83Å; I201-F205 HydrophobicContact CG2-CE2 3.85Å; I201-F205 WeakPolarHBondContact O-CD2 3.36Å; I201-F205 PolarHBondContact O-N 3.48Å; I201-F205 VanDerWaalsContact O-N 3.15Å; I201-L222 HydrophobicContact CB-CD1 3.92Å; I201-L222 HydrophobicContact CD1-CD1 4.25Å; I201-L222 HydrophobicContact CD1-CD2 4.32Å; I201-L222 HydrophobicContact CG2-CD1 3.66Å; I201-L222 HydrophobicContact CG2-CD2 4.46Å; I201-L230 HydrophobicContact CD1-CD2 4.37Å; I201-I233 HydrophobicContact CD1-CB 4.12Å; I201-I233 HydrophobicContact CD1-CG2 3.61Å; I201-I233 HydrophobicContact CG1-CG2 4.17Å; I201-I233 HydrophobicContact CG2-CG2 4.45Å; I201-F234 HydrophobicContact CD1-CB 4.43Å; I201-V237 HydrophobicContact CG1-CG2 4.47Å |
| 202 | K | 95 | Very high | 93.2 | Very high | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55 | -43 | 173.3 | -79 | 170.4 | 67.6 | -172.5 | 0 | 111.7 | I198 T199 Q206 L215 I218 H219 L284 | I198-K202 HydrophobicContact CG2-CD 3.84Å; I198-K202 HydrophobicContact CG2-CG 4.45Å; I198-K202 VanDerWaalsContact O-CB 3.29Å; I198-K202 WeakPolarHBondContact O-CB 3.32Å; I198-K202 WeakPolarHBondContact O-CG 3.38Å; I198-K202 PolarHBondContact O-N 2.81Å; T199-K202 PolarHBondContact O-N 3.34Å; K202-Q206 PolarHBondContact O-N 3.25Å; K202-Q206 VanDerWaalsContact O-N 3.11Å; K202-L215 HydrophobicContact CB-CD2 3.92Å; K202-L215 HydrophobicContact CG-CD2 4.21Å; K202-L215 WeakPolarHBondContact O-CD2 3.2Å; K202-I218 HydrophobicContact CG-CG2 3.96Å; K202-H219 HydrophobicContact CD-CB 4.32Å; K202-L284 HydrophobicContact CB-CD1 4.17Å |
| 203 | H | 96.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 22.9 Ų | 22.9 | 5% | 0.046 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.7 | -54.3 | 179.6 | -171.4 | -78.4 | 0 | 0 | 0 | 111.4 | F145 T199 L200 I201 F205 Q206 S207 L284 | F145-H203 HydrophobicContact CD1-CB 4.17Å; F145-H203 AromaticContact CD1-CD2 3.6Å; F145-H203 AromaticContact CD1-CG 3.58Å; F145-H203 AromaticContact CD1-ND1 3.83Å; F145-H203 AromaticContact CD1-NE2 3.9Å; F145-H203 AromaticContact CD2-CD2 3.71Å; F145-H203 AromaticContact CD2-NE2 3.51Å; F145-H203 HydrophobicContact CE1-CB 4.04Å; F145-H203 AromaticContact CE1-CD2 3.69Å; F145-H203 AromaticContact CE1-CG 3.79Å; F145-H203 AromaticContact CE2-CD2 3.77Å; F145-H203 AromaticContact CG-CD2 3.63Å; F145-H203 AromaticContact CG-CE1 3.66Å; F145-H203 AromaticContact CG-CG 3.96Å; F145-H203 AromaticContact CG-ND1 3.96Å; F145-H203 AromaticContact CG-NE2 3.45Å; F145-H203 WeakPolarHBondContact CG-NE2 3.16Å; F145-H203 AromaticContact CZ-CD2 3.77Å; T199-H203 WeakPolarHBondContact O-CB 3.37Å; T199-H203 PolarHBondContact O-N 3.5Å; L200-H203 PolarHBondContact O-N 2.8Å; I201-H203 VanDerWaalsContact C-N 3.28Å; I201-H203 PolarHBondContact O-N 2.87Å; H203-F205 VanDerWaalsContact C-N 3.27Å; H203-F205 PolarHBondContact O-N 3.46Å; H203-Q206 PolarHBondContact O-N 3.04Å; H203-S207 WeakPolarHBondContact O-CB 3.48Å; H203-S207 PolarHBondContact O-N 2.91Å; H203-S207 PolarHBondContact O-OG 3.2Å; H203-S207 VanDerWaalsContact O-OG 3.07Å; H203-L284 HydrophobicContact CB-CD1 3.98Å |
| 204 | A | 96.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.033 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.5 | -37.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L200 I201 S207 T208 V237 L241 L260 | L200-A204 PolarHBondContact O-N 3.22Å; I201-A204 PolarHBondContact O-N 3.42Å; A204-S207 WeakPolarHBondContact CA-OG 3.27Å; A204-S207 PolarHBondContact O-OG 2.84Å; A204-T208 WeakPolarHBondContact O-CB 3.33Å; A204-T208 PolarHBondContact O-N 2.76Å; A204-T208 PolarHBondContact O-OG1 2.84Å; A204-V237 HydrophobicContact CB-CG1 3.49Å; A204-V237 VanDerWaalsContact CB-CG1 3.49Å; A204-L241 HydrophobicContact CB-CD1 4.04Å; A204-L260 WeakPolarHBondContact O-CD1 3.45Å |
| 205 | F | 95.4 | Very high | 93 | Very high | 5 Ų | 5 | 17.3 Ų | 17.3 | 2% | 0.022 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 173.2 | -89.6 | -69.1 | 0 | 0 | 0 | 112.5 | I201 H203 L209 I218 L260 L263 R264 L267 | I201-F205 HydrophobicContact CG2-CD2 3.83Å; I201-F205 HydrophobicContact CG2-CE2 3.85Å; I201-F205 WeakPolarHBondContact O-CD2 3.36Å; I201-F205 PolarHBondContact O-N 3.48Å; I201-F205 VanDerWaalsContact O-N 3.15Å; H203-F205 VanDerWaalsContact C-N 3.27Å; H203-F205 PolarHBondContact O-N 3.46Å; F205-L209 HydrophobicContact CD1-CD1 4.03Å; F205-L209 HydrophobicContact CE1-CD1 4.39Å; F205-L209 WeakPolarHBondContact O-CB 3.48Å; F205-L209 PolarHBondContact O-N 2.87Å; F205-I218 HydrophobicContact CB-CD1 3.74Å; F205-I218 HydrophobicContact CD2-CG2 4.38Å; F205-I218 HydrophobicContact CG-CD1 4.08Å; F205-L260 HydrophobicContact CD1-CB 4.43Å; F205-L260 HydrophobicContact CE1-CB 3.97Å; F205-L260 HydrophobicContact CE1-CD2 4.48Å; F205-L260 WeakPolarHBondContact CE1-O 3.28Å; F205-L260 HydrophobicContact CZ-CD2 4.36Å; F205-L263 HydrophobicContact CE2-CD2 4.29Å; F205-L263 HydrophobicContact CZ-CD2 4.25Å; F205-L263 HydrophobicContact CZ-CG 4.29Å; F205-R264 HydrophobicContact CE1-CB 3.8Å; F205-R264 HydrophobicContact CZ-CB 4.03Å; F205-L267 HydrophobicContact CE2-CD1 4.11Å; F205-L267 HydrophobicContact CZ-CD1 4.34Å |
| 206 | Q | 94.8 | Very high | 93 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 2% | 0.023 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -74.4 | -43.4 | -178.9 | -167.9 | -177.2 | -115.3 | 0 | 0 | 112.7 | P97 Y98 K202 H203 T208 G210 L215 L281 Q282 | P97-Q206 WeakPolarHBondContact O-CG 3.43Å; P97-Q206 PolarHBondContact O-NE2 2.89Å; Y98-Q206 VanDerWaalsContact CD2-O 3.27Å; Y98-Q206 WeakPolarHBondContact CD2-O 3.37Å; K202-Q206 PolarHBondContact O-N 3.25Å; K202-Q206 VanDerWaalsContact O-N 3.11Å; H203-Q206 PolarHBondContact O-N 3.04Å; Q206-T208 PolarHBondContact O-N 3.4Å; Q206-G210 VanDerWaalsContact O-CA 3.23Å; Q206-G210 WeakPolarHBondContact O-CA 3.38Å; Q206-G210 PolarHBondContact O-N 2.79Å; Q206-L215 HydrophobicContact CB-CD2 4.16Å; Q206-L281 HydrophobicContact CG-CD2 3.73Å; Q206-Q282 PolarHBondContact NE2-O 3.16Å; Q206-Q282 PolarHBondContact OE1-O 2.9Å |
| 207 | S | 95.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 4% | 0.035 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.2 | -32.6 | 179.7 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | Y98 P141 H203 A204 | Y98-S207 WeakPolarHBondContact CD2-O 3.32Å; P141-S207 VanDerWaalsContact CB-O 3.22Å; P141-S207 WeakPolarHBondContact CB-O 3.28Å; P141-S207 WeakPolarHBondContact O-CB 3.32Å; P141-S207 PolarHBondContact O-OG 2.86Å; H203-S207 WeakPolarHBondContact O-CB 3.48Å; H203-S207 PolarHBondContact O-N 2.91Å; H203-S207 PolarHBondContact O-OG 3.2Å; H203-S207 VanDerWaalsContact O-OG 3.07Å; A204-S207 WeakPolarHBondContact CA-OG 3.27Å; A204-S207 PolarHBondContact O-OG 2.84Å |
| 208 | T | 94.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 3% | 0.025 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -90.9 | -44.1 | -179.9 | -49.2 | 0 | 0 | 0 | 0 | 113.2 | A204 Q206 V256 I257 L260 | A204-T208 WeakPolarHBondContact O-CB 3.33Å; A204-T208 PolarHBondContact O-N 2.76Å; A204-T208 PolarHBondContact O-OG1 2.84Å; Q206-T208 PolarHBondContact O-N 3.4Å; T208-V256 HydrophobicContact CG2-CB 4.34Å; T208-V256 HydrophobicContact CG2-CG1 3.81Å; T208-I257 HydrophobicContact CG2-CG1 3.62Å; T208-L260 HydrophobicContact CG2-CD1 4.05Å |
| 209 | L | 92.7 | Very high | 92.6 | Very high | 18 Ų | 18 | 24.6 Ų | 24.6 | 9% | 0.094 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -111.7 | -0.4 | -169.2 | -51.7 | -178.4 | 0 | 0 | 0 | 114.2 | F205 T211 K212 Y213 I257 L260 | F205-L209 HydrophobicContact CD1-CD1 4.03Å; F205-L209 HydrophobicContact CE1-CD1 4.39Å; F205-L209 WeakPolarHBondContact O-CB 3.48Å; F205-L209 PolarHBondContact O-N 2.87Å; L209-T211 PolarHBondContact O-N 2.77Å; L209-K212 HydrophobicContact CB-CB 4.3Å; L209-K212 WeakPolarHBondContact O-CB 3.44Å; L209-K212 PolarHBondContact O-N 3.15Å; L209-Y213 HydrophobicContact CD1-CD2 3.96Å; L209-Y213 HydrophobicContact CD1-CE2 3.88Å; L209-I257 HydrophobicContact CD2-CB 4.28Å; L209-I257 HydrophobicContact CD2-CG1 4Å; L209-I257 HydrophobicContact CD2-CG2 3.97Å; L209-L260 HydrophobicContact CD1-CB 4.42Å |
| 210 | G | 91.8 | Very high | 92.5 | Very high | 5 Ų | 5 | 31 Ų | 31 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | 57.4 | -132.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y98 Q206 K212 | Y98-G210 VanDerWaalsContact CD2-CA 3.46Å; Q206-G210 VanDerWaalsContact O-CA 3.23Å; Q206-G210 WeakPolarHBondContact O-CA 3.38Å; Q206-G210 PolarHBondContact O-N 2.79Å; G210-K212 PolarHBondContact O-N 2.91Å |
| 211 | T | 89.8 | Confident | 92.4 | Very high | 69 Ų | 69 | 31.9 Ų | 31.9 | 42% | 0.423 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -75.9 | 0.3 | -177.9 | 50.7 | 0 | 0 | 0 | 0 | 114.8 | L209 Y213 G279 L281 | L209-T211 PolarHBondContact O-N 2.77Å; T211-Y213 VanDerWaalsContact C-N 3.25Å; T211-Y213 PolarHBondContact O-N 3.37Å; T211-G279 VanDerWaalsContact CB-O 3.3Å; T211-G279 WeakPolarHBondContact CB-O 3.43Å; T211-G279 VanDerWaalsContact CG2-O 3.31Å; T211-G279 WeakPolarHBondContact CG2-O 3.4Å; T211-L281 HydrophobicContact CG2-CD2 3.9Å; T211-L281 HydrophobicContact CG2-CG 3.78Å |
| 212 | K | 88.1 | Confident | 92.4 | Very high | 88 Ų | 88 | 31.9 Ų | 31.9 | 38% | 0.383 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -59.3 | -32.7 | -173.3 | -170.1 | 177.2 | -170.9 | -178.5 | 0 | 113.8 | L209 G210 E261 S272 | L209-K212 HydrophobicContact CB-CB 4.3Å; L209-K212 WeakPolarHBondContact O-CB 3.44Å; L209-K212 PolarHBondContact O-N 3.15Å; G210-K212 PolarHBondContact O-N 2.91Å; K212-E261 WeakPolarHBondContact CE-OE1 3.36Å; K212-E261 IonicContact NZ-OE1 2.77Å; K212-E261 PolarHBondContact NZ-OE1 2.97Å; K212-S272 VanDerWaalsContact O-CB 3.23Å; K212-S272 WeakPolarHBondContact O-CB 3.37Å; K212-S272 PolarHBondContact O-OG 2.86Å |
| 213 | Y | 88 | Confident | 92.3 | Very high | 18 Ų | 18 | 36.4 Ų | 36.4 | 7% | 0.071 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -131.6 | 116.7 | -179.8 | -65.2 | -66.8 | 0 | 0 | 0 | 110.3 | L209 T211 L215 E261 R264 I269 P270 | L209-Y213 HydrophobicContact CD1-CD2 3.96Å; L209-Y213 HydrophobicContact CD1-CE2 3.88Å; T211-Y213 VanDerWaalsContact C-N 3.25Å; T211-Y213 PolarHBondContact O-N 3.37Å; Y213-L215 PolarHBondContact O-N 3.45Å; Y213-E261 WeakPolarHBondContact CE2-OE1 3.4Å; Y213-E261 VanDerWaalsContact OH-CD 3.29Å; Y213-E261 PolarHBondContact OH-OE1 3.42Å; Y213-E261 VanDerWaalsContact OH-OE1 3.06Å; Y213-E261 PolarHBondContact OH-OE2 3.36Å; Y213-R264 HydrophobicContact CE1-CG 4.1Å; Y213-R264 HydrophobicContact CE2-CG 4.06Å; Y213-R264 WeakPolarHBondContact OH-CD 3.47Å; Y213-I269 HydrophobicContact CD1-CG2 4.17Å; Y213-P270 WeakPolarHBondContact CE1-O 3.18Å |
| 214 | P | 88.1 | Confident | 92.2 | Very high | 39 Ų | 39 | 41 Ų | 41 | 25% | 0.253 | 22% | 0.215 | S | C | . | . | trans | -64.6 | 130.7 | -178.4 | -20.5 | 31.6 | 0 | 0 | 0 | 111.9 | Q216 V217 I218 D278 | P214-Q216 PolarHBondContact O-N 3.47Å; P214-V217 HydrophobicContact CB-CG2 4.18Å; P214-V217 HydrophobicContact CG-CG2 4.39Å; P214-V217 WeakPolarHBondContact O-CB 3.22Å; P214-V217 PolarHBondContact O-N 3.43Å; P214-I218 PolarHBondContact O-N 2.86Å; P214-D278 WeakPolarHBondContact CG-O 3.49Å | ||
| 215 | L | 89.7 | Confident | 92 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.6 | -29 | -175.5 | -75.9 | -170.6 | 0 | 0 | 0 | 114.8 | K202 Q206 Y213 V217 I218 H219 Q282 L284 | K202-L215 HydrophobicContact CB-CD2 3.92Å; K202-L215 HydrophobicContact CG-CD2 4.21Å; K202-L215 WeakPolarHBondContact O-CD2 3.2Å; Q206-L215 HydrophobicContact CB-CD2 4.16Å; Y213-L215 PolarHBondContact O-N 3.45Å; L215-V217 VanDerWaalsContact C-N 3.3Å; L215-V217 PolarHBondContact O-N 3.32Å; L215-I218 HydrophobicContact CD2-CD1 4.05Å; L215-I218 PolarHBondContact O-N 3.28Å; L215-H219 WeakPolarHBondContact O-CB 3.32Å; L215-H219 PolarHBondContact O-N 2.91Å; L215-Q282 HydrophobicContact CD1-CB 3.78Å; L215-L284 HydrophobicContact CD1-CD1 4.19Å; L215-L284 HydrophobicContact CD1-CD2 4Å; L215-L284 HydrophobicContact CD1-CG 4.19Å |
| 216 | Q | 89.2 | Confident | 92 | Very high | 135 Ų | 135 | 45.3 Ų | 45.3 | 63% | 0.631 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -66.5 | -30.5 | 175.1 | -65 | -175.6 | -0.3 | 0 | 0 | 112.9 | P214 K220 | P214-Q216 PolarHBondContact O-N 3.47Å; Q216-K220 VanDerWaalsContact O-CG 3.29Å; Q216-K220 WeakPolarHBondContact O-CG 3.46Å; Q216-K220 PolarHBondContact O-N 2.83Å; Q216-K220 VanDerWaalsContact O-N 3.12Å |
| 217 | V | 90.1 | Very high | 91.9 | Very high | 53 Ų | 53 | 48 Ų | 48 | 32% | 0.321 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -75.4 | -39.8 | 177.3 | -178 | 0 | 0 | 0 | 0 | 110 | P214 L215 A221 I269 P270 | P214-V217 HydrophobicContact CB-CG2 4.18Å; P214-V217 HydrophobicContact CG-CG2 4.39Å; P214-V217 WeakPolarHBondContact O-CB 3.22Å; P214-V217 PolarHBondContact O-N 3.43Å; L215-V217 VanDerWaalsContact C-N 3.3Å; L215-V217 PolarHBondContact O-N 3.32Å; V217-A221 PolarHBondContact O-N 3.04Å; V217-I269 HydrophobicContact CG1-CG2 4.27Å; V217-P270 HydrophobicContact CG1-CG 4.26Å |
| 218 | I | 91.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 172.7 | -63.4 | 163 | 0 | 0 | 0 | 110 | K202 F205 P214 L215 K220 A221 L222 I269 | K202-I218 HydrophobicContact CG-CG2 3.96Å; F205-I218 HydrophobicContact CB-CD1 3.74Å; F205-I218 HydrophobicContact CD2-CG2 4.38Å; F205-I218 HydrophobicContact CG-CD1 4.08Å; P214-I218 PolarHBondContact O-N 2.86Å; L215-I218 HydrophobicContact CD2-CD1 4.05Å; L215-I218 PolarHBondContact O-N 3.28Å; I218-K220 PolarHBondContact O-N 3.37Å; I218-A221 PolarHBondContact O-N 3.37Å; I218-A221 VanDerWaalsContact O-N 3.14Å; I218-L222 HydrophobicContact CG2-CD1 3.84Å; I218-L222 WeakPolarHBondContact O-CG 3.44Å; I218-L222 PolarHBondContact O-N 3.15Å; I218-I269 HydrophobicContact CG1-CD1 4.18Å |
| 219 | H | 92.9 | Very high | 91.8 | Very high | 29 Ų | 29 | 56.9 Ų | 56.9 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.8 | -51.8 | 177 | -175.7 | 100.1 | 0 | 0 | 0 | 111.5 | K202 L215 A221 L222 E223 D642 | K202-H219 HydrophobicContact CD-CB 4.32Å; L215-H219 WeakPolarHBondContact O-CB 3.32Å; L215-H219 PolarHBondContact O-N 2.91Å; H219-A221 PolarHBondContact O-N 3.45Å; H219-A221 VanDerWaalsContact O-N 3.13Å; H219-L222 CarbonylContact O-C 3.59Å; H219-L222 PolarHBondContact O-N 3.12Å; H219-E223 IonicContact CD2-OE2 3.13Å; H219-E223 WeakPolarHBondContact O-CB 3.28Å; H219-E223 PolarHBondContact O-N 3.13Å; H219-D642 IonicContact CE1-OD2 3.8Å; H219-D642 IonicContact ND1-OD2 3.92Å |
| 220 | K | 92.1 | Very high | 91.9 | Very high | 139 Ų | 139 | 56 Ų | 56 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.7 | -22.7 | 179 | -73.5 | 170.6 | -179.1 | 175.1 | 0 | 114.6 | Q216 I218 P224 | Q216-K220 VanDerWaalsContact O-CG 3.29Å; Q216-K220 WeakPolarHBondContact O-CG 3.46Å; Q216-K220 PolarHBondContact O-N 2.83Å; Q216-K220 VanDerWaalsContact O-N 3.12Å; I218-K220 PolarHBondContact O-N 3.37Å; K220-P224 VanDerWaalsContact O-CD 3.27Å; K220-P224 WeakPolarHBondContact O-CD 3.44Å |
| 221 | A | 92.9 | Very high | 92 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -84.4 | -15.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V217 I218 H219 K225 I269 | V217-A221 PolarHBondContact O-N 3.04Å; I218-A221 PolarHBondContact O-N 3.37Å; I218-A221 VanDerWaalsContact O-N 3.14Å; H219-A221 PolarHBondContact O-N 3.45Å; H219-A221 VanDerWaalsContact O-N 3.13Å; A221-K225 WeakPolarHBondContact O-CE 3.44Å; A221-I269 HydrophobicContact CB-CD1 4.24Å; A221-I269 HydrophobicContact CB-CG1 3.62Å |
| 222 | L | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -106.5 | -34 | -179.5 | -61.4 | 173.7 | 0 | 0 | 0 | 112.7 | I198 I201 I218 H219 P224 K225 L230 I233 L267 | I198-L222 HydrophobicContact CD1-CB 4.47Å; I198-L222 HydrophobicContact CG1-CB 3.95Å; I201-L222 HydrophobicContact CB-CD1 3.92Å; I201-L222 HydrophobicContact CD1-CD1 4.25Å; I201-L222 HydrophobicContact CD1-CD2 4.32Å; I201-L222 HydrophobicContact CG2-CD1 3.66Å; I201-L222 HydrophobicContact CG2-CD2 4.46Å; I218-L222 HydrophobicContact CG2-CD1 3.84Å; I218-L222 WeakPolarHBondContact O-CG 3.44Å; I218-L222 PolarHBondContact O-N 3.15Å; H219-L222 CarbonylContact O-C 3.59Å; H219-L222 PolarHBondContact O-N 3.12Å; L222-P224 VanDerWaalsContact C-CD 3.48Å; L222-K225 HydrophobicContact CD2-CD 4.22Å; L222-K225 VanDerWaalsContact O-CB 3.31Å; L222-K225 WeakPolarHBondContact O-CB 3.32Å; L222-K225 PolarHBondContact O-N 3.06Å; L222-L230 HydrophobicContact CB-CD2 3.89Å; L222-L230 HydrophobicContact CD2-CD2 3.89Å; L222-L230 HydrophobicContact CG-CD2 4.41Å; L222-I233 HydrophobicContact CD2-CD1 4.35Å; L222-L267 HydrophobicContact CD2-CD1 4.25Å; L222-L267 HydrophobicContact CD2-CD2 4.17Å |
| 223 | E | 93.2 | Very high | 92.5 | Very high | 103 Ų | 103 | 60.5 Ų | 60.5 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | -45.3 | 176.5 | -174.9 | -172.7 | 177.4 | 0 | 0 | 114.6 | K194 H219 K225 | K194-E223 WeakPolarHBondContact CE-O 3.28Å; K194-E223 PolarHBondContact NZ-O 3.28Å; H219-E223 IonicContact CD2-OE2 3.13Å; H219-E223 WeakPolarHBondContact O-CB 3.28Å; H219-E223 PolarHBondContact O-N 3.13Å; E223-K225 PolarHBondContact O-N 3.42Å |
| 224 | P | 93.9 | Very high | 92.8 | Very high | 106 Ų | 106 | 59.8 Ų | 59.8 | 69% | 0.688 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -5.3 | -179.8 | 30.2 | -37 | 0 | 0 | 0 | 114.7 | K220 L222 | K220-P224 VanDerWaalsContact O-CD 3.27Å; K220-P224 WeakPolarHBondContact O-CD 3.44Å; L222-P224 VanDerWaalsContact C-CD 3.48Å |
| 225 | K | 94.1 | Very high | 93 | Very high | 44 Ų | 44 | 59.2 Ų | 59.2 | 19% | 0.191 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -82.1 | 155.1 | -174.9 | -64.4 | 178.7 | 171.3 | -85.3 | 0 | 113.2 | K194 A221 L222 E223 E229 L230 I233 | K194-K225 PolarHBondContact NZ-O 2.84Å; A221-K225 WeakPolarHBondContact O-CE 3.44Å; L222-K225 HydrophobicContact CD2-CD 4.22Å; L222-K225 VanDerWaalsContact O-CB 3.31Å; L222-K225 WeakPolarHBondContact O-CB 3.32Å; L222-K225 PolarHBondContact O-N 3.06Å; E223-K225 PolarHBondContact O-N 3.42Å; K225-E229 HydrophobicContact CB-CB 4.23Å; K225-E229 IonicContact NZ-OE1 2.69Å; K225-L230 HydrophobicContact CB-CD1 4.3Å; K225-L230 HydrophobicContact CB-CD2 4.05Å; K225-L230 HydrophobicContact CB-CG 3.85Å; K225-L230 HydrophobicContact CD-CD2 3.99Å; K225-I233 HydrophobicContact CD-CD1 3.52Å |
| 226 | S | 94.4 | Very high | 93.2 | Very high | 56 Ų | 56 | 61.4 Ų | 61.4 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | trans | -72.2 | 163.5 | 169.4 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | N228 E229 L230 | S226-N228 VanDerWaalsContact C-N 3.27Å; S226-N228 PolarHBondContact O-N 2.99Å; S226-E229 VanDerWaalsContact CB-OE2 3.32Å; S226-E229 WeakPolarHBondContact CB-OE2 3.34Å; S226-E229 PolarHBondContact N-OE2 3.43Å; S226-E229 PolarHBondContact O-N 3.12Å; S226-E229 WeakPolarHBondContact OG-CG 3.38Å; S226-E229 PolarHBondContact OG-N 3.34Å; S226-E229 PolarHBondContact OG-OE2 2.74Å; S226-L230 VanDerWaalsContact O-CG 3.31Å; S226-L230 WeakPolarHBondContact O-CG 3.24Å; S226-L230 PolarHBondContact O-N 3.45Å; S226-L230 VanDerWaalsContact O-N 3.1Å | ||
| 227 | V | 93.2 | Very high | 93.5 | Very high | 61 Ų | 61 | 55 Ų | 55 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 177.7 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | Q193 K194 Y197 L230 K231 | Q193-V227 HydrophobicContact CB-CG1 4.24Å; K194-V227 HydrophobicContact CB-CG2 4.4Å; Y197-V227 HydrophobicContact CD2-CG1 4.49Å; Y197-V227 HydrophobicContact CE2-CG1 4.16Å; V227-L230 PolarHBondContact O-N 3.49Å; V227-K231 WeakPolarHBondContact O-CB 3.46Å; V227-K231 PolarHBondContact O-N 2.77Å |
| 228 | N | 93.4 | Very high | 93.7 | Very high | 119 Ų | 119 | 52.5 Ų | 52.5 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -69 | -47 | -179.5 | -66.1 | 2.1 | 0 | 0 | 0 | 111.8 | S226 L230 K231 E232 | S226-N228 VanDerWaalsContact C-N 3.27Å; S226-N228 PolarHBondContact O-N 2.99Å; N228-L230 VanDerWaalsContact C-N 3.26Å; N228-L230 PolarHBondContact O-N 3.08Å; N228-K231 WeakPolarHBondContact O-CB 3.29Å; N228-K231 PolarHBondContact O-N 2.91Å; N228-K231 VanDerWaalsContact O-N 3.14Å; N228-E232 WeakPolarHBondContact O-CG 3.43Å; N228-E232 PolarHBondContact O-N 3.09Å |
| 229 | E | 94.4 | Very high | 93.8 | Very high | 78 Ų | 78 | 54.8 Ų | 54.8 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59 | -39.1 | 173.3 | -70.5 | 166.8 | 90.7 | 0 | 0 | 111.7 | K225 S226 E232 I233 | K225-E229 HydrophobicContact CB-CB 4.23Å; K225-E229 IonicContact NZ-OE1 2.69Å; S226-E229 VanDerWaalsContact CB-OE2 3.32Å; S226-E229 WeakPolarHBondContact CB-OE2 3.34Å; S226-E229 PolarHBondContact N-OE2 3.43Å; S226-E229 PolarHBondContact O-N 3.12Å; S226-E229 WeakPolarHBondContact OG-CG 3.38Å; S226-E229 PolarHBondContact OG-N 3.34Å; S226-E229 PolarHBondContact OG-OE2 2.74Å; E229-E232 PolarHBondContact O-N 3.34Å; E229-I233 VanDerWaalsContact O-CD1 3.22Å; E229-I233 WeakPolarHBondContact O-CD1 3.49Å; E229-I233 WeakPolarHBondContact O-CG1 3.37Å; E229-I233 PolarHBondContact O-N 3.4Å |
| 230 | L | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.9 | -35.4 | 177.2 | -70.6 | 170 | 0 | 0 | 0 | 112.2 | K194 Y197 I198 I201 L222 K225 S226 V227 N228 F234 | K194-L230 HydrophobicContact CB-CD1 4.38Å; K194-L230 HydrophobicContact CD-CD1 3.98Å; K194-L230 HydrophobicContact CG-CD1 3.69Å; Y197-L230 HydrophobicContact CD2-CB 4.1Å; I198-L230 HydrophobicContact CD1-CD1 4.14Å; I198-L230 HydrophobicContact CG1-CD1 4.08Å; I198-L230 HydrophobicContact CG1-CD2 4.19Å; I201-L230 HydrophobicContact CD1-CD2 4.37Å; L222-L230 HydrophobicContact CB-CD2 3.89Å; L222-L230 HydrophobicContact CD2-CD2 3.89Å; L222-L230 HydrophobicContact CG-CD2 4.41Å; K225-L230 HydrophobicContact CB-CD1 4.3Å; K225-L230 HydrophobicContact CB-CD2 4.05Å; K225-L230 HydrophobicContact CB-CG 3.85Å; K225-L230 HydrophobicContact CD-CD2 3.99Å; S226-L230 VanDerWaalsContact O-CG 3.31Å; S226-L230 WeakPolarHBondContact O-CG 3.24Å; S226-L230 PolarHBondContact O-N 3.45Å; S226-L230 VanDerWaalsContact O-N 3.1Å; V227-L230 PolarHBondContact O-N 3.49Å; N228-L230 VanDerWaalsContact C-N 3.26Å; N228-L230 PolarHBondContact O-N 3.08Å; L230-F234 WeakPolarHBondContact O-CB 3.44Å; L230-F234 PolarHBondContact O-N 2.86Å |
| 231 | K | 93.3 | Very high | 94 | Very high | 100 Ų | 100 | 47.2 Ų | 47.2 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 171.4 | -177.2 | 176.6 | 178.1 | -179 | 0 | 111.3 | Y197 V227 N228 I233 F234 S235 | Y197-K231 HydrophobicContact CD2-CB 4.47Å; Y197-K231 HydrophobicContact CE2-CB 3.75Å; Y197-K231 HydrophobicContact CE2-CG 4.33Å; V227-K231 WeakPolarHBondContact O-CB 3.46Å; V227-K231 PolarHBondContact O-N 2.77Å; N228-K231 WeakPolarHBondContact O-CB 3.29Å; N228-K231 PolarHBondContact O-N 2.91Å; N228-K231 VanDerWaalsContact O-N 3.14Å; K231-I233 PolarHBondContact O-N 3.32Å; K231-F234 PolarHBondContact O-N 3Å; K231-S235 PolarHBondContact O-N 2.73Å; K231-S235 PolarHBondContact O-OG 2.67Å |
| 232 | E | 93.3 | Very high | 94 | Very high | 137 Ų | 137 | 46.2 Ų | 46.2 | 64% | 0.64 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.3 | -44.2 | 176.5 | -71.3 | 169 | -164.8 | 0 | 0 | 112.2 | N228 E229 S235 L236 | N228-E232 WeakPolarHBondContact O-CG 3.43Å; N228-E232 PolarHBondContact O-N 3.09Å; E229-E232 PolarHBondContact O-N 3.34Å; E232-S235 PolarHBondContact O-N 3.21Å; E232-L236 PolarHBondContact O-N 2.84Å |
| 233 | I | 94.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 176.2 | -64.7 | 157.4 | 0 | 0 | 0 | 111 | I201 L222 K225 E229 K231 L236 V237 L263 L267 | I201-I233 HydrophobicContact CD1-CB 4.12Å; I201-I233 HydrophobicContact CD1-CG2 3.61Å; I201-I233 HydrophobicContact CG1-CG2 4.17Å; I201-I233 HydrophobicContact CG2-CG2 4.45Å; L222-I233 HydrophobicContact CD2-CD1 4.35Å; K225-I233 HydrophobicContact CD-CD1 3.52Å; E229-I233 VanDerWaalsContact O-CD1 3.22Å; E229-I233 WeakPolarHBondContact O-CD1 3.49Å; E229-I233 WeakPolarHBondContact O-CG1 3.37Å; E229-I233 PolarHBondContact O-N 3.4Å; K231-I233 PolarHBondContact O-N 3.32Å; I233-L236 PolarHBondContact O-N 3.34Å; I233-V237 VanDerWaalsContact O-CG2 3.25Å; I233-V237 WeakPolarHBondContact O-CG2 3.33Å; I233-V237 PolarHBondContact O-N 3.13Å; I233-L263 HydrophobicContact CG2-CD1 4.33Å; I233-L263 HydrophobicContact CG2-CD2 4.24Å; I233-L267 HydrophobicContact CD1-CD2 3.7Å; I233-L267 HydrophobicContact CG1-CD2 4.2Å; I233-L267 HydrophobicContact CG2-CD2 4.37Å |
| 234 | F | 93.9 | Very high | 94 | Very high | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -41.4 | 176.9 | 167.1 | -104 | 0 | 0 | 0 | 112.5 | Q146 R150 L155 Y197 L200 I201 L230 K231 V237 S238 | Q146-F234 HydrophobicContact CG-CE2 4.31Å; R150-F234 HydrophobicContact CG-CZ 4.32Å; L155-F234 HydrophobicContact CB-CE1 4.34Å; Y197-F234 HydrophobicContact CD1-CB 3.63Å; Y197-F234 AromaticContact CD1-CD1 3.56Å; Y197-F234 HydrophobicContact CD1-CD1 3.56Å; Y197-F234 HydrophobicContact CD1-CD2 4.09Å; Y197-F234 HydrophobicContact CD1-CE1 4.26Å; Y197-F234 AromaticContact CD1-CG 3.44Å; Y197-F234 HydrophobicContact CD1-CG 3.44Å; Y197-F234 VanDerWaalsContact CD1-CG 3.44Å; Y197-F234 HydrophobicContact CE1-CB 4.15Å; Y197-F234 AromaticContact CE1-CD1 3.35Å; Y197-F234 HydrophobicContact CE1-CD1 3.35Å; Y197-F234 AromaticContact CE1-CE1 3.9Å; Y197-F234 HydrophobicContact CE1-CE1 3.9Å; Y197-F234 AromaticContact CE1-CG 3.79Å; Y197-F234 HydrophobicContact CE1-CG 3.79Å; Y197-F234 HydrophobicContact CG-CB 4.16Å; Y197-F234 HydrophobicContact CG-CG 4.42Å; L200-F234 HydrophobicContact CB-CD2 3.93Å; L200-F234 HydrophobicContact CB-CE2 3.91Å; L200-F234 HydrophobicContact CD1-CD2 4.1Å; L200-F234 HydrophobicContact CD1-CE2 3.52Å; L200-F234 HydrophobicContact CD1-CZ 4.03Å; L200-F234 HydrophobicContact CG-CE2 4.21Å; I201-F234 HydrophobicContact CD1-CB 4.43Å; L230-F234 WeakPolarHBondContact O-CB 3.44Å; L230-F234 PolarHBondContact O-N 2.86Å; K231-F234 PolarHBondContact O-N 3Å; F234-V237 PolarHBondContact O-N 3.5Å; F234-S238 VanDerWaalsContact CE2-OG 3.3Å; F234-S238 WeakPolarHBondContact CE2-OG 3.12Å; F234-S238 VanDerWaalsContact CZ-OG 3.28Å; F234-S238 WeakPolarHBondContact CZ-OG 3.36Å; F234-S238 WeakPolarHBondContact O-CB 3.49Å; F234-S238 PolarHBondContact O-N 3.48Å; F234-S238 PolarHBondContact O-OG 2.97Å |
| 235 | S | 93.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 40 Ų | 40 | 19% | 0.189 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.6 | -57.3 | 171.4 | -76.3 | 0 | 0 | 0 | 0 | 109.6 | K231 E232 V237 S238 D239 | K231-S235 PolarHBondContact O-N 2.73Å; K231-S235 PolarHBondContact O-OG 2.67Å; E232-S235 PolarHBondContact O-N 3.21Å; S235-V237 VanDerWaalsContact C-N 3.29Å; S235-V237 PolarHBondContact O-N 2.86Å; S235-V237 VanDerWaalsContact O-N 3.16Å; S235-S238 CarbonylContact O-C 3.32Å; S235-S238 WeakPolarHBondContact O-CA 3.36Å; S235-S238 VanDerWaalsContact O-CB 3.25Å; S235-S238 WeakPolarHBondContact O-CB 3.36Å; S235-S238 PolarHBondContact O-N 2.94Å; S235-D239 VanDerWaalsContact C-OD2 3.26Å; S235-D239 PolarHBondContact O-N 3.48Å |
| 236 | L | 94.5 | Very high | 93.6 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.4 | -42 | 179.4 | 178 | 59.1 | 0 | 0 | 0 | 113.2 | E232 I233 D239 I240 L263 | E232-L236 PolarHBondContact O-N 2.84Å; I233-L236 PolarHBondContact O-N 3.34Å; L236-D239 PolarHBondContact O-N 3.48Å; L236-I240 HydrophobicContact CD1-CD1 4.04Å; L236-I240 HydrophobicContact CD1-CG1 4.32Å; L236-I240 HydrophobicContact CG-CD1 4.02Å; L236-I240 WeakPolarHBondContact O-CB 3.45Å; L236-I240 VanDerWaalsContact O-CD1 3.25Å; L236-I240 WeakPolarHBondContact O-CD1 3.41Å; L236-I240 WeakPolarHBondContact O-CG1 3.49Å; L236-I240 PolarHBondContact O-N 3.39Å; L236-L263 HydrophobicContact CD2-CD1 4.13Å |
| 237 | V | 95.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 174.6 | 169 | 0 | 0 | 0 | 0 | 111.9 | I201 A204 I233 F234 S235 L241 L260 L263 | I201-V237 HydrophobicContact CG1-CG2 4.47Å; A204-V237 HydrophobicContact CB-CG1 3.49Å; A204-V237 VanDerWaalsContact CB-CG1 3.49Å; I233-V237 VanDerWaalsContact O-CG2 3.25Å; I233-V237 WeakPolarHBondContact O-CG2 3.33Å; I233-V237 PolarHBondContact O-N 3.13Å; F234-V237 PolarHBondContact O-N 3.5Å; S235-V237 VanDerWaalsContact C-N 3.29Å; S235-V237 PolarHBondContact O-N 2.86Å; S235-V237 VanDerWaalsContact O-N 3.16Å; V237-L241 HydrophobicContact CG1-CD1 4.21Å; V237-L241 WeakPolarHBondContact O-CG 3.45Å; V237-L241 PolarHBondContact O-N 3.49Å; V237-L260 HydrophobicContact CG2-CD2 4.28Å; V237-L263 HydrophobicContact CG2-CD2 3.38Å |
| 238 | S | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -47.8 | 176.8 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | Q146 F234 S235 I240 L241 E242 | Q146-S238 PolarHBondContact NE2-OG 2.74Å; F234-S238 VanDerWaalsContact CE2-OG 3.3Å; F234-S238 WeakPolarHBondContact CE2-OG 3.12Å; F234-S238 VanDerWaalsContact CZ-OG 3.28Å; F234-S238 WeakPolarHBondContact CZ-OG 3.36Å; F234-S238 WeakPolarHBondContact O-CB 3.49Å; F234-S238 PolarHBondContact O-N 3.48Å; F234-S238 PolarHBondContact O-OG 2.97Å; S235-S238 CarbonylContact O-C 3.32Å; S235-S238 WeakPolarHBondContact O-CA 3.36Å; S235-S238 VanDerWaalsContact O-CB 3.25Å; S235-S238 WeakPolarHBondContact O-CB 3.36Å; S235-S238 PolarHBondContact O-N 2.94Å; S238-I240 VanDerWaalsContact C-N 3.33Å; S238-I240 PolarHBondContact O-N 2.71Å; S238-L241 PolarHBondContact O-N 2.79Å; S238-L241 VanDerWaalsContact O-N 3.15Å; S238-E242 WeakPolarHBondContact O-CB 3.28Å; S238-E242 VanDerWaalsContact O-CG 3.25Å; S238-E242 WeakPolarHBondContact O-CG 3.44Å; S238-E242 PolarHBondContact O-N 2.99Å |
| 239 | D | 93.4 | Very high | 92.5 | Very high | 49 Ų | 49 | 42.6 Ų | 42.6 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.2 | -37.1 | -176.1 | -49.5 | -27.1 | 0 | 0 | 0 | 110.8 | S235 L236 T243 | S235-D239 VanDerWaalsContact C-OD2 3.26Å; S235-D239 PolarHBondContact O-N 3.48Å; L236-D239 PolarHBondContact O-N 3.48Å; D239-T243 WeakPolarHBondContact O-CB 3.37Å; D239-T243 PolarHBondContact O-N 3.09Å; D239-T243 PolarHBondContact O-OG1 3.44Å |
| 240 | I | 94.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.2 | -48.4 | 171.2 | -71.1 | 160.5 | 0 | 0 | 0 | 111.3 | L236 S238 A244 V256 E259 | L236-I240 HydrophobicContact CD1-CD1 4.04Å; L236-I240 HydrophobicContact CD1-CG1 4.32Å; L236-I240 HydrophobicContact CG-CD1 4.02Å; L236-I240 WeakPolarHBondContact O-CB 3.45Å; L236-I240 VanDerWaalsContact O-CD1 3.25Å; L236-I240 WeakPolarHBondContact O-CD1 3.41Å; L236-I240 WeakPolarHBondContact O-CG1 3.49Å; L236-I240 PolarHBondContact O-N 3.39Å; S238-I240 VanDerWaalsContact C-N 3.33Å; S238-I240 PolarHBondContact O-N 2.71Å; I240-A244 VanDerWaalsContact O-CB 3.3Å; I240-A244 WeakPolarHBondContact O-CB 3.5Å; I240-A244 PolarHBondContact O-N 2.91Å; I240-A244 VanDerWaalsContact O-N 3.12Å; I240-V256 HydrophobicContact CG2-CB 4.32Å; I240-V256 HydrophobicContact CG2-CG1 4.07Å; I240-V256 HydrophobicContact CG2-CG2 4.28Å; I240-E259 HydrophobicContact CD1-CB 3.71Å; I240-E259 HydrophobicContact CG1-CB 3.9Å; I240-E259 HydrophobicContact CG2-CB 4.03Å |
| 241 | L | 94.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.8 | -44 | -177.4 | -69.1 | 170.1 | 0 | 0 | 0 | 112 | A140 I143 Q146 A204 V237 S238 A244 A245 V256 | A140-L241 HydrophobicContact CB-CB 4.43Å; A140-L241 HydrophobicContact CB-CD2 4.07Å; A140-L241 WeakPolarHBondContact CB-O 3.46Å; I143-L241 HydrophobicContact CD1-CB 3.92Å; Q146-L241 HydrophobicContact CB-CD1 4.49Å; Q146-L241 HydrophobicContact CG-CD1 4.42Å; A204-L241 HydrophobicContact CB-CD1 4.04Å; V237-L241 HydrophobicContact CG1-CD1 4.21Å; V237-L241 WeakPolarHBondContact O-CG 3.45Å; V237-L241 PolarHBondContact O-N 3.49Å; S238-L241 PolarHBondContact O-N 2.79Å; S238-L241 VanDerWaalsContact O-N 3.15Å; L241-A244 PolarHBondContact O-N 3.09Å; L241-A245 WeakPolarHBondContact O-CB 3.4Å; L241-A245 PolarHBondContact O-N 3.39Å; L241-V256 HydrophobicContact CD2-CG1 3.72Å; L241-V256 HydrophobicContact CD2-CG2 4.42Å |
| 242 | E | 93.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 179 | -67.4 | -76.3 | -163.6 | 0 | 0 | 111.3 | I143 R147 R150 Y160 S238 A244 A245 V246 | I143-E242 HydrophobicContact CD1-CG 4.15Å; R147-E242 IonicContact CZ-OE2 2.75Å; R147-E242 VanDerWaalsContact CZ-OE2 3.26Å; R147-E242 IonicContact NE-OE1 2.68Å; R147-E242 PolarHBondContact NE-OE1 3.36Å; R147-E242 IonicContact NE-OE2 3.49Å; R147-E242 PolarHBondContact NE-OE2 3.03Å; R147-E242 VanDerWaalsContact NE-OE2 3.07Å; R147-E242 IonicContact NH2-OE2 3.42Å; R147-E242 PolarHBondContact NH2-OE2 3.19Å; R150-E242 IonicContact CZ-OE1 3.38Å; R150-E242 VanDerWaalsContact CZ-OE1 3.24Å; R150-E242 IonicContact NH1-OE1 2.71Å; R150-E242 PolarHBondContact NH1-OE1 2.74Å; R150-E242 IonicContact NH2-OE1 3.19Å; R150-E242 PolarHBondContact NH2-OE1 3.15Å; Y160-E242 HydrophobicContact CD2-CB 4.48Å; Y160-E242 HydrophobicContact CD2-CG 3.96Å; Y160-E242 HydrophobicContact CE2-CB 3.62Å; Y160-E242 HydrophobicContact CE2-CG 3.57Å; S238-E242 WeakPolarHBondContact O-CB 3.28Å; S238-E242 VanDerWaalsContact O-CG 3.25Å; S238-E242 WeakPolarHBondContact O-CG 3.44Å; S238-E242 PolarHBondContact O-N 2.99Å; E242-A244 VanDerWaalsContact C-N 3.33Å; E242-A244 PolarHBondContact O-N 2.81Å; E242-A245 PolarHBondContact O-N 3.35Å; E242-V246 PolarHBondContact O-N 3.43Å; E242-V246 VanDerWaalsContact O-N 3.14Å |
| 243 | T | 92.6 | Very high | 91.3 | Very high | 77 Ų | 77 | 36.6 Ų | 36.6 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58 | -46.2 | 174.6 | -59.8 | 0 | 0 | 0 | 0 | 111 | D239 V246 S247 | D239-T243 WeakPolarHBondContact O-CB 3.37Å; D239-T243 PolarHBondContact O-N 3.09Å; D239-T243 PolarHBondContact O-OG1 3.44Å; T243-V246 PolarHBondContact O-N 2.98Å; T243-S247 WeakPolarHBondContact O-CB 3.25Å; T243-S247 PolarHBondContact O-N 3.49Å; T243-S247 PolarHBondContact O-OG 3.41Å |
| 244 | A | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -38.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A140 I240 L241 E242 V246 S247 A252 V256 | A140-A244 HydrophobicContact CB-CB 4.13Å; I240-A244 VanDerWaalsContact O-CB 3.3Å; I240-A244 WeakPolarHBondContact O-CB 3.5Å; I240-A244 PolarHBondContact O-N 2.91Å; I240-A244 VanDerWaalsContact O-N 3.12Å; L241-A244 PolarHBondContact O-N 3.09Å; E242-A244 VanDerWaalsContact C-N 3.33Å; E242-A244 PolarHBondContact O-N 2.81Å; A244-V246 VanDerWaalsContact C-N 3.32Å; A244-V246 PolarHBondContact O-N 3.18Å; A244-S247 WeakPolarHBondContact O-CB 3.13Å; A244-S247 PolarHBondContact O-N 2.96Å; A244-S247 VanDerWaalsContact O-N 3.16Å; A244-A252 HydrophobicContact CB-CB 4.19Å; A244-A252 WeakPolarHBondContact O-CB 3.47Å; A244-V256 HydrophobicContact CB-CG2 3.22Å |
| 245 | A | 90.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -33.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M136 K139 A140 I143 L241 E242 | M136-A245 HydrophobicContact CB-CB 4.44Å; M136-A245 HydrophobicContact CE-CB 3.49Å; M136-A245 VanDerWaalsContact CE-CB 3.49Å; M136-A245 HydrophobicContact SD-CB 3.85Å; K139-A245 WeakPolarHBondContact CD-O 3.16Å; K139-A245 PolarHBondContact NZ-O 3.2Å; A140-A245 HydrophobicContact CB-CB 4.06Å; I143-A245 HydrophobicContact CG1-CB 4.36Å; L241-A245 WeakPolarHBondContact O-CB 3.4Å; L241-A245 PolarHBondContact O-N 3.39Å; E242-A245 PolarHBondContact O-N 3.35Å |
| 246 | V | 89.2 | Confident | 91.3 | Very high | 104 Ų | 104 | 41.6 Ų | 41.6 | 63% | 0.63 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -77.1 | -30.2 | 172 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | E242 T243 A244 | E242-V246 PolarHBondContact O-N 3.43Å; E242-V246 VanDerWaalsContact O-N 3.14Å; T243-V246 PolarHBondContact O-N 2.98Å; A244-V246 VanDerWaalsContact C-N 3.32Å; A244-V246 PolarHBondContact O-N 3.18Å |
| 247 | S | 90.5 | Very high | 91.4 | Very high | 45 Ų | 45 | 41.6 Ų | 41.6 | 32% | 0.315 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -65.6 | 173.2 | -176.5 | -66.7 | 0 | 0 | 0 | 0 | 115.5 | K139 T243 A244 | K139-S247 WeakPolarHBondContact CE-O 3.35Å; K139-S247 PolarHBondContact NZ-O 3.19Å; T243-S247 WeakPolarHBondContact O-CB 3.25Å; T243-S247 PolarHBondContact O-N 3.49Å; T243-S247 PolarHBondContact O-OG 3.41Å; A244-S247 WeakPolarHBondContact O-CB 3.13Å; A244-S247 PolarHBondContact O-N 2.96Å; A244-S247 VanDerWaalsContact O-N 3.16Å |
| 248 | D | 86.6 | Confident | 91.4 | Very high | 105 Ų | 105 | 47.7 Ų | 47.7 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | trans | -64.3 | 135.5 | 177.2 | -177.3 | 84.9 | 0 | 0 | 0 | 112.6 | G250 T251 A252 | D248-G250 VanDerWaalsContact C-N 3.28Å; D248-G250 PolarHBondContact O-N 3.37Å; D248-G250 PolarHBondContact OD2-N 3.41Å; D248-T251 PolarHBondContact O-N 3.39Å; D248-A252 VanDerWaalsContact O-CB 3.28Å; D248-A252 WeakPolarHBondContact O-CB 3.46Å; D248-A252 PolarHBondContact O-N 3.31Å | ||
| 249 | P | 79.9 | Confident | 91.5 | Very high | 82 Ų | 82 | 49 Ų | 49 | 53% | 0.532 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55 | -35.7 | -178.2 | -24.9 | 33.2 | 0 | 0 | 0 | 115.3 | T251 | P249-T251 PolarHBondContact O-N 2.74Å |
| 250 | G | 78.3 | Confident | 91.6 | Very high | 62 Ų | 62 | 46.7 Ų | 46.7 | 64% | 0.639 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -72.2 | -14.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D248 | D248-G250 VanDerWaalsContact C-N 3.28Å; D248-G250 PolarHBondContact O-N 3.37Å; D248-G250 PolarHBondContact OD2-N 3.41Å |
| 251 | T | 88.4 | Confident | 91.6 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -127.1 | -23.3 | -178.3 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | D248 P249 R253 S254 H255 | D248-T251 PolarHBondContact O-N 3.39Å; P249-T251 PolarHBondContact O-N 2.74Å; T251-R253 PolarHBondContact O-N 3.11Å; T251-S254 PolarHBondContact O-N 2.9Å; T251-H255 PolarHBondContact O-N 2.87Å |
| 252 | A | 92.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -50 | -54.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K139 A244 D248 S254 H255 V256 | K139-A252 HydrophobicContact CB-CB 3.79Å; K139-A252 HydrophobicContact CD-CB 4.47Å; K139-A252 HydrophobicContact CG-CB 4.01Å; K139-A252 CarbonylContact O-C 3.58Å; A244-A252 HydrophobicContact CB-CB 4.19Å; A244-A252 WeakPolarHBondContact O-CB 3.47Å; D248-A252 VanDerWaalsContact O-CB 3.28Å; D248-A252 WeakPolarHBondContact O-CB 3.46Å; D248-A252 PolarHBondContact O-N 3.31Å; A252-S254 VanDerWaalsContact C-N 3.34Å; A252-S254 PolarHBondContact O-N 3.09Å; A252-H255 WeakPolarHBondContact O-CB 3.31Å; A252-H255 PolarHBondContact O-N 3.05Å; A252-H255 VanDerWaalsContact O-N 3.14Å; A252-V256 PolarHBondContact O-N 2.82Å |
| 253 | R | 92 | Very high | 91.7 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 13% | 0.132 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | -176.7 | -169 | 178.6 | -178.9 | 129.6 | -3.1 | 112.3 | C99 K139 P141 T251 H255 V256 I257 | C99-R253 PolarHBondContact O-NH2 3.46Å; K139-R253 VanDerWaalsContact O-CA 3.23Å; K139-R253 WeakPolarHBondContact O-CA 3.46Å; K139-R253 PolarHBondContact O-N 2.91Å; P141-R253 HydrophobicContact CG-CG 4.44Å; T251-R253 PolarHBondContact O-N 3.11Å; R253-H255 VanDerWaalsContact C-N 3.32Å; R253-H255 PolarHBondContact O-N 3.4Å; R253-V256 PolarHBondContact O-N 2.69Å; R253-I257 HydrophobicContact CG-CD1 4.2Å; R253-I257 VanDerWaalsContact O-CG1 3.31Å; R253-I257 WeakPolarHBondContact O-CG1 3.44Å; R253-I257 PolarHBondContact O-N 3.13Å |
| 254 | S | 92.3 | Very high | 91.7 | Very high | 76 Ų | 76 | 52 Ų | 52 | 53% | 0.531 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64 | -37 | 176 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | T251 A252 I257 Q258 | T251-S254 PolarHBondContact O-N 2.9Å; A252-S254 VanDerWaalsContact C-N 3.34Å; A252-S254 PolarHBondContact O-N 3.09Å; S254-I257 PolarHBondContact O-N 2.92Å; S254-Q258 WeakPolarHBondContact O-CB 2.91Å; S254-Q258 PolarHBondContact O-N 3.41Å |
| 255 | H | 94.5 | Very high | 91.5 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 173.6 | 176.9 | -95.6 | 0 | 0 | 0 | 112 | T251 A252 R253 I257 Q258 E259 | T251-H255 PolarHBondContact O-N 2.87Å; A252-H255 WeakPolarHBondContact O-CB 3.31Å; A252-H255 PolarHBondContact O-N 3.05Å; A252-H255 VanDerWaalsContact O-N 3.14Å; R253-H255 VanDerWaalsContact C-N 3.32Å; R253-H255 PolarHBondContact O-N 3.4Å; H255-I257 VanDerWaalsContact C-N 3.33Å; H255-I257 PolarHBondContact O-N 3.1Å; H255-Q258 PolarHBondContact O-N 3.31Å; H255-E259 PolarHBondContact O-N 3.41Å |
| 256 | V | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.8 | -45 | 175 | -175.3 | 0 | 0 | 0 | 0 | 111 | A140 T208 I240 L241 A244 A252 R253 Q258 E259 L260 | A140-V256 HydrophobicContact CB-CG2 4.48Å; T208-V256 HydrophobicContact CG2-CB 4.34Å; T208-V256 HydrophobicContact CG2-CG1 3.81Å; I240-V256 HydrophobicContact CG2-CB 4.32Å; I240-V256 HydrophobicContact CG2-CG1 4.07Å; I240-V256 HydrophobicContact CG2-CG2 4.28Å; L241-V256 HydrophobicContact CD2-CG1 3.72Å; L241-V256 HydrophobicContact CD2-CG2 4.42Å; A244-V256 HydrophobicContact CB-CG2 3.22Å; A252-V256 PolarHBondContact O-N 2.82Å; R253-V256 PolarHBondContact O-N 2.69Å; V256-Q258 PolarHBondContact O-N 3.42Å; V256-E259 PolarHBondContact O-N 2.88Å; V256-L260 HydrophobicContact CG1-CD1 3.81Å; V256-L260 HydrophobicContact CG1-CG 4.16Å; V256-L260 WeakPolarHBondContact O-CB 3.27Å; V256-L260 WeakPolarHBondContact O-CG 3.39Å; V256-L260 PolarHBondContact O-N 2.67Å |
| 257 | I | 94.9 | Very high | 91.6 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 30% | 0.303 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 177.1 | -69.8 | 163.6 | 0 | 0 | 0 | 111.1 | T208 L209 R253 S254 H255 E261 | T208-I257 HydrophobicContact CG2-CG1 3.62Å; L209-I257 HydrophobicContact CD2-CB 4.28Å; L209-I257 HydrophobicContact CD2-CG1 4Å; L209-I257 HydrophobicContact CD2-CG2 3.97Å; R253-I257 HydrophobicContact CG-CD1 4.2Å; R253-I257 VanDerWaalsContact O-CG1 3.31Å; R253-I257 WeakPolarHBondContact O-CG1 3.44Å; R253-I257 PolarHBondContact O-N 3.13Å; S254-I257 PolarHBondContact O-N 2.92Å; H255-I257 VanDerWaalsContact C-N 3.33Å; H255-I257 PolarHBondContact O-N 3.1Å; I257-E261 WeakPolarHBondContact O-CB 3.39Å; I257-E261 WeakPolarHBondContact O-CG 3.49Å; I257-E261 PolarHBondContact O-N 2.77Å; I257-E261 VanDerWaalsContact O-N 3.08Å |
| 258 | Q | 95.7 | Very high | 91.5 | Very high | 129 Ų | 129 | 62.8 Ų | 62.8 | 60% | 0.603 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.1 | -46 | 179.8 | 178.7 | 177.2 | -41.6 | 0 | 0 | 112.2 | S254 H255 V256 E261 R262 | S254-Q258 WeakPolarHBondContact O-CB 2.91Å; S254-Q258 PolarHBondContact O-N 3.41Å; H255-Q258 PolarHBondContact O-N 3.31Å; V256-Q258 PolarHBondContact O-N 3.42Å; Q258-E261 PolarHBondContact O-N 2.77Å; Q258-R262 PolarHBondContact O-N 3.22Å |
| 259 | E | 96.7 | Very high | 91.6 | Very high | 29 Ų | 29 | 57.9 Ų | 57.9 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -76.3 | -32.4 | -175.2 | -72.6 | -63.4 | 102.6 | 0 | 0 | 113 | I240 H255 V256 R262 L263 | I240-E259 HydrophobicContact CD1-CB 3.71Å; I240-E259 HydrophobicContact CG1-CB 3.9Å; I240-E259 HydrophobicContact CG2-CB 4.03Å; H255-E259 PolarHBondContact O-N 3.41Å; V256-E259 PolarHBondContact O-N 2.88Å; E259-R262 VanDerWaalsContact CD-NE 3.29Å; E259-R262 WeakPolarHBondContact O-CB 3.34Å; E259-R262 PolarHBondContact O-N 3.02Å; E259-R262 WeakPolarHBondContact OE1-CD 3.47Å; E259-R262 IonicContact OE1-NE 2.79Å; E259-R262 PolarHBondContact OE1-NE 2.93Å; E259-R262 IonicContact OE2-CZ 2.65Å; E259-R262 IonicContact OE2-NE 3.13Å; E259-R262 PolarHBondContact OE2-NE 2.87Å; E259-R262 IonicContact OE2-NH2 3.84Å; E259-R262 PolarHBondContact OE2-NH2 3.35Å; E259-L263 WeakPolarHBondContact O-CB 3.25Å; E259-L263 PolarHBondContact O-N 3.07Å |
| 260 | L | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.5 | -35.6 | 168.8 | -70.3 | -178.6 | 0 | 0 | 0 | 112 | A204 F205 T208 L209 V237 V256 L263 R264 | A204-L260 WeakPolarHBondContact O-CD1 3.45Å; F205-L260 HydrophobicContact CD1-CB 4.43Å; F205-L260 HydrophobicContact CE1-CB 3.97Å; F205-L260 HydrophobicContact CE1-CD2 4.48Å; F205-L260 WeakPolarHBondContact CE1-O 3.28Å; F205-L260 HydrophobicContact CZ-CD2 4.36Å; T208-L260 HydrophobicContact CG2-CD1 4.05Å; L209-L260 HydrophobicContact CD1-CB 4.42Å; V237-L260 HydrophobicContact CG2-CD2 4.28Å; V256-L260 HydrophobicContact CG1-CD1 3.81Å; V256-L260 HydrophobicContact CG1-CG 4.16Å; V256-L260 WeakPolarHBondContact O-CB 3.27Å; V256-L260 WeakPolarHBondContact O-CG 3.39Å; V256-L260 PolarHBondContact O-N 2.67Å; L260-L263 HydrophobicContact CD2-CD2 4.41Å; L260-L263 PolarHBondContact O-N 3.29Å; L260-R264 WeakPolarHBondContact O-CB 3.34Å; L260-R264 PolarHBondContact O-N 3.1Å |
| 261 | E | 94.7 | Very high | 91.7 | Very high | 37 Ų | 37 | 58.7 Ų | 58.7 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 170.8 | -76.6 | -72.3 | -178.9 | 0 | 0 | 112 | K212 Y213 I257 Q258 R264 T265 | K212-E261 WeakPolarHBondContact CE-OE1 3.36Å; K212-E261 IonicContact NZ-OE1 2.77Å; K212-E261 PolarHBondContact NZ-OE1 2.97Å; Y213-E261 WeakPolarHBondContact CE2-OE1 3.4Å; Y213-E261 VanDerWaalsContact OH-CD 3.29Å; Y213-E261 PolarHBondContact OH-OE1 3.42Å; Y213-E261 VanDerWaalsContact OH-OE1 3.06Å; Y213-E261 PolarHBondContact OH-OE2 3.36Å; I257-E261 WeakPolarHBondContact O-CB 3.39Å; I257-E261 WeakPolarHBondContact O-CG 3.49Å; I257-E261 PolarHBondContact O-N 2.77Å; I257-E261 VanDerWaalsContact O-N 3.08Å; Q258-E261 PolarHBondContact O-N 2.77Å; E261-R264 PolarHBondContact O-N 3Å; E261-R264 WeakPolarHBondContact OE2-CD 3.05Å; E261-R264 IonicContact OE2-NH1 3.04Å; E261-T265 PolarHBondContact O-N 3.42Å; E261-T265 VanDerWaalsContact O-N 3.08Å |
| 262 | R | 94.8 | Very high | 90.8 | Very high | 115 Ų | 115 | 56.4 Ų | 56.4 | 43% | 0.434 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.6 | -51.6 | 173.2 | -171.1 | 176.5 | 69 | 82 | -1.7 | 110.4 | Q258 E259 R264 T265 T266 | Q258-R262 PolarHBondContact O-N 3.22Å; E259-R262 VanDerWaalsContact CD-NE 3.29Å; E259-R262 WeakPolarHBondContact O-CB 3.34Å; E259-R262 PolarHBondContact O-N 3.02Å; E259-R262 WeakPolarHBondContact OE1-CD 3.47Å; E259-R262 IonicContact OE1-NE 2.79Å; E259-R262 PolarHBondContact OE1-NE 2.93Å; E259-R262 IonicContact OE2-CZ 2.65Å; E259-R262 IonicContact OE2-NE 3.13Å; E259-R262 PolarHBondContact OE2-NE 2.87Å; E259-R262 IonicContact OE2-NH2 3.84Å; E259-R262 PolarHBondContact OE2-NH2 3.35Å; R262-R264 VanDerWaalsContact C-N 3.33Å; R262-R264 PolarHBondContact O-N 2.75Å; R262-T265 PolarHBondContact O-N 3.19Å; R262-T265 VanDerWaalsContact O-N 3.1Å; R262-T265 PolarHBondContact O-OG1 3.39Å; R262-T266 PolarHBondContact O-N 2.71Å; R262-T266 PolarHBondContact O-OG1 2.71Å |
| 263 | L | 94.4 | Very high | 89.2 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 175.6 | 178.2 | 58.7 | 0 | 0 | 0 | 112.2 | F205 I233 L236 V237 E259 L260 T265 T266 L267 | F205-L263 HydrophobicContact CE2-CD2 4.29Å; F205-L263 HydrophobicContact CZ-CD2 4.25Å; F205-L263 HydrophobicContact CZ-CG 4.29Å; I233-L263 HydrophobicContact CG2-CD1 4.33Å; I233-L263 HydrophobicContact CG2-CD2 4.24Å; L236-L263 HydrophobicContact CD2-CD1 4.13Å; V237-L263 HydrophobicContact CG2-CD2 3.38Å; E259-L263 WeakPolarHBondContact O-CB 3.25Å; E259-L263 PolarHBondContact O-N 3.07Å; L260-L263 HydrophobicContact CD2-CD2 4.41Å; L260-L263 PolarHBondContact O-N 3.29Å; L263-T265 PolarHBondContact O-N 3Å; L263-T266 CarbonylContact O-C 3.58Å; L263-T266 WeakPolarHBondContact O-CA 3.27Å; L263-T266 WeakPolarHBondContact O-CB 3.44Å; L263-T266 PolarHBondContact O-N 2.68Å; L263-L267 HydrophobicContact CD1-CD1 4.16Å; L263-L267 HydrophobicContact CD1-CD2 4.34Å; L263-L267 HydrophobicContact CD1-CG 3.94Å; L263-L267 HydrophobicContact CD2-CD1 4.48Å; L263-L267 HydrophobicContact CG-CD1 3.91Å; L263-L267 HydrophobicContact CG-CG 4.15Å; L263-L267 WeakPolarHBondContact O-CG 3.3Å; L263-L267 PolarHBondContact O-N 3.38Å |
| 264 | R | 93 | Very high | 87.5 | Confident | 41 Ų | 41 | 64.1 Ų | 64.1 | 16% | 0.155 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.2 | -31.8 | 176.6 | 162.1 | -84.7 | 138.6 | 170.2 | -11.3 | 112.6 | F205 Y213 L260 E261 R262 K268 I269 S271 | F205-R264 HydrophobicContact CE1-CB 3.8Å; F205-R264 HydrophobicContact CZ-CB 4.03Å; Y213-R264 HydrophobicContact CE1-CG 4.1Å; Y213-R264 HydrophobicContact CE2-CG 4.06Å; Y213-R264 WeakPolarHBondContact OH-CD 3.47Å; L260-R264 WeakPolarHBondContact O-CB 3.34Å; L260-R264 PolarHBondContact O-N 3.1Å; E261-R264 PolarHBondContact O-N 3Å; E261-R264 WeakPolarHBondContact OE2-CD 3.05Å; E261-R264 IonicContact OE2-NH1 3.04Å; R262-R264 VanDerWaalsContact C-N 3.33Å; R262-R264 PolarHBondContact O-N 2.75Å; R264-K268 PolarHBondContact O-N 3.38Å; R264-I269 HydrophobicContact CG-CB 4.06Å; R264-I269 HydrophobicContact CG-CG2 4.06Å; R264-I269 PolarHBondContact NE-O 2.99Å; R264-I269 PolarHBondContact NH2-O 3.16Å; R264-I269 PolarHBondContact O-N 3.22Å; R264-S271 VanDerWaalsContact NH2-N 3.18Å |
| 265 | T | 90.9 | Very high | 85.7 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72 | -42.3 | 170.1 | 69.2 | 0 | 0 | 0 | 0 | 112.5 | E261 R262 L263 L267 K268 | E261-T265 PolarHBondContact O-N 3.42Å; E261-T265 VanDerWaalsContact O-N 3.08Å; R262-T265 PolarHBondContact O-N 3.19Å; R262-T265 VanDerWaalsContact O-N 3.1Å; R262-T265 PolarHBondContact O-OG1 3.39Å; L263-T265 PolarHBondContact O-N 3Å; T265-L267 VanDerWaalsContact C-N 3.31Å; T265-L267 PolarHBondContact O-N 2.71Å; T265-K268 PolarHBondContact O-N 2.88Å |
| 266 | T | 91.2 | Very high | 83.6 | Confident | 93 Ų | 93 | 72 Ų | 72 | 57% | 0.571 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.7 | -38.7 | 175.5 | -51.7 | 0 | 0 | 0 | 0 | 112.3 | R262 L263 K268 | R262-T266 PolarHBondContact O-N 2.71Å; R262-T266 PolarHBondContact O-OG1 2.71Å; L263-T266 CarbonylContact O-C 3.58Å; L263-T266 WeakPolarHBondContact O-CA 3.27Å; L263-T266 WeakPolarHBondContact O-CB 3.44Å; L263-T266 PolarHBondContact O-N 2.68Å; T266-K268 PolarHBondContact O-N 2.97Å |
| 267 | L | 90.6 | Very high | 81.4 | Confident | 13 Ų | 13 | 76.8 Ų | 76.8 | 7% | 0.068 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -2.4 | 175.3 | -64.5 | 178.1 | 0 | 0 | 0 | 113.8 | F205 L222 I233 L263 T265 I269 | F205-L267 HydrophobicContact CE2-CD1 4.11Å; F205-L267 HydrophobicContact CZ-CD1 4.34Å; L222-L267 HydrophobicContact CD2-CD1 4.25Å; L222-L267 HydrophobicContact CD2-CD2 4.17Å; I233-L267 HydrophobicContact CD1-CD2 3.7Å; I233-L267 HydrophobicContact CG1-CD2 4.2Å; I233-L267 HydrophobicContact CG2-CD2 4.37Å; L263-L267 HydrophobicContact CD1-CD1 4.16Å; L263-L267 HydrophobicContact CD1-CD2 4.34Å; L263-L267 HydrophobicContact CD1-CG 3.94Å; L263-L267 HydrophobicContact CD2-CD1 4.48Å; L263-L267 HydrophobicContact CG-CD1 3.91Å; L263-L267 HydrophobicContact CG-CG 4.15Å; L263-L267 WeakPolarHBondContact O-CG 3.3Å; L263-L267 PolarHBondContact O-N 3.38Å; T265-L267 VanDerWaalsContact C-N 3.31Å; T265-L267 PolarHBondContact O-N 2.71Å; L267-I269 HydrophobicContact CB-CD1 3.78Å; L267-I269 HydrophobicContact CB-CG1 4.01Å; L267-I269 HydrophobicContact CD1-CD1 3.86Å; L267-I269 HydrophobicContact CG-CD1 4.49Å; L267-I269 PolarHBondContact O-N 2.86Å; L267-I269 VanDerWaalsContact O-N 3.13Å |
| 268 | K | 88.8 | Confident | 79.4 | Confident | 189 Ų | 189 | 79 Ų | 79 | 82% | 0.822 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 22.8 | -177.6 | -56.8 | 177.6 | -177.4 | 172.9 | 0 | 114.3 | R264 T265 T266 | R264-K268 PolarHBondContact O-N 3.38Å; T265-K268 PolarHBondContact O-N 2.88Å; T266-K268 PolarHBondContact O-N 2.97Å |
| 269 | I | 87.6 | Confident | 77.8 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.015 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 131 | 174.9 | -70.5 | 161.8 | 0 | 0 | 0 | 108.1 | Y213 V217 I218 A221 R264 L267 | Y213-I269 HydrophobicContact CD1-CG2 4.17Å; V217-I269 HydrophobicContact CG1-CG2 4.27Å; I218-I269 HydrophobicContact CG1-CD1 4.18Å; A221-I269 HydrophobicContact CB-CD1 4.24Å; A221-I269 HydrophobicContact CB-CG1 3.62Å; R264-I269 HydrophobicContact CG-CB 4.06Å; R264-I269 HydrophobicContact CG-CG2 4.06Å; R264-I269 PolarHBondContact NE-O 2.99Å; R264-I269 PolarHBondContact NH2-O 3.16Å; R264-I269 PolarHBondContact O-N 3.22Å; L267-I269 HydrophobicContact CB-CD1 3.78Å; L267-I269 HydrophobicContact CB-CG1 4.01Å; L267-I269 HydrophobicContact CD1-CD1 3.86Å; L267-I269 HydrophobicContact CG-CD1 4.49Å; L267-I269 PolarHBondContact O-N 2.86Å; L267-I269 VanDerWaalsContact O-N 3.13Å |
| 270 | P | 84 | Confident | 77 | Confident | 85 Ų | 85 | 79 Ų | 79 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 149.6 | 178.4 | -29.7 | 35.6 | 0 | 0 | 0 | 113.8 | Y213 V217 | Y213-P270 WeakPolarHBondContact CE1-O 3.18Å; V217-P270 HydrophobicContact CG1-CG 4.26Å |
| 271 | S | 76.5 | Confident | 76.7 | Confident | 75 Ų | 75 | 81 Ų | 81 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 137.7 | 175.6 | 45.2 | 0 | 0 | 0 | 0 | 111 | R264 N273 | R264-S271 VanDerWaalsContact NH2-N 3.18Å; S271-N273 PolarHBondContact O-N 3.45Å |
| 272 | S | 69.7 | Low | 76.5 | Confident | 42 Ų | 42 | 81.2 Ų | 81.2 | 29% | 0.294 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 131.9 | 170.8 | -166.1 | 0 | 0 | 0 | 0 | 110.2 | K212 G274 | K212-S272 VanDerWaalsContact O-CB 3.23Å; K212-S272 WeakPolarHBondContact O-CB 3.37Å; K212-S272 PolarHBondContact O-OG 2.86Å; S272-G274 PolarHBondContact O-N 3.45Å |
| 273 | N | 59 | Low | 76.2 | Confident | 121 Ų | 121 | 76.2 Ų | 76.2 | 65% | 0.647 | 44% | 0.436 | S | S | * | . | trans | -73.5 | 12 | -172.4 | -71.2 | -45.6 | 0 | 0 | 0 | 114.5 | S271 R275 D278 | S271-N273 PolarHBondContact O-N 3.45Å; N273-R275 PolarHBondContact O-N 3.37Å; N273-D278 PolarHBondContact ND2-OD2 2.88Å | ||
| 274 | G | 55.9 | Low | 76 | Confident | 77 Ų | 77 | 76.5 Ų | 76.5 | 79% | 0.794 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 68.5 | -7.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S272 | S272-G274 PolarHBondContact O-N 3.45Š|
| 275 | R | 55.7 | Low | 75.6 | Confident | 203 Ų | 203 | 77.7 Ų | 77.7 | 77% | 0.766 | 45% | 0.451 | S | S | * | . | trans | -88 | 125.7 | 171.9 | -69.2 | -175.1 | 174 | -168.5 | -2.1 | 110.1 | N273 S277 | N273-R275 PolarHBondContact O-N 3.37Å; R275-S277 VanDerWaalsContact C-N 3.3Å; R275-S277 PolarHBondContact O-N 2.87Å | ||
| 276 | S | 49.2 | Very low | 75.5 | Confident | 115 Ų | 115 | 74.9 Ų | 74.9 | 80% | 0.804 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 60.5 | -176.5 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 277 | S | 51.1 | Low | 75.4 | Confident | 101 Ų | 101 | 70.7 Ų | 70.7 | 71% | 0.706 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -177.4 | 41.7 | 166.7 | 51.7 | 0 | 0 | 0 | 0 | 116.6 | R275 | R275-S277 VanDerWaalsContact C-N 3.3Å; R275-S277 PolarHBondContact O-N 2.87Å |
| 278 | D | 52.4 | Low | 75.4 | Confident | 107 Ų | 107 | 70.8 Ų | 70.8 | 57% | 0.572 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -92.1 | -6.3 | 168.7 | -83.7 | -22.7 | 0 | 0 | 0 | 113.4 | P214 N273 | P214-D278 WeakPolarHBondContact CG-O 3.49Å; N273-D278 PolarHBondContact ND2-OD2 2.88Å |
| 279 | G | 61.4 | Low | 75.4 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 8% | 0.082 | 37% | 0.369 | C | S | . | . | trans | -144.5 | 137.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T211 | T211-G279 VanDerWaalsContact CB-O 3.3Å; T211-G279 WeakPolarHBondContact CB-O 3.43Å; T211-G279 VanDerWaalsContact CG2-O 3.31Å; T211-G279 WeakPolarHBondContact CG2-O 3.4Å | ||
| 280 | N | 80.7 | Confident | 75.5 | Confident | 149 Ų | 149 | 64.2 Ų | 64.2 | 80% | 0.797 | 38% | 0.38 | S | S | * | . | trans | -92.1 | 151.7 | 169.5 | -64.7 | -1.2 | 0 | 0 | 0 | 109.6 | ||||
| 281 | L | 88.8 | Confident | 75.9 | Confident | 43 Ų | 43 | 60.5 Ų | 60.5 | 23% | 0.225 | 36% | 0.355 | C | S | . | . | trans | -64.9 | 152.2 | 165 | -64.6 | 176.1 | 0 | 0 | 0 | 110 | P56 P97 Q206 T211 | P56-L281 HydrophobicContact CB-CB 3.6Å; P56-L281 HydrophobicContact CB-CD1 3.95Å; P56-L281 HydrophobicContact CB-CG 4.43Å; P56-L281 HydrophobicContact CG-CB 3.69Å; P97-L281 HydrophobicContact CB-CB 4.38Å; Q206-L281 HydrophobicContact CG-CD2 3.73Å; T211-L281 HydrophobicContact CG2-CD2 3.9Å; T211-L281 HydrophobicContact CG2-CG 3.78Å | ||
| 282 | Q | 90 | Very high | 76.6 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | trans | -128 | 135.3 | 171.3 | -165.5 | -178.1 | 11.2 | 0 | 0 | 110 | Q206 L215 L284 Y641 | Q206-Q282 PolarHBondContact NE2-O 3.16Å; Q206-Q282 PolarHBondContact OE1-O 2.9Å; L215-Q282 HydrophobicContact CD1-CB 3.78Å; Q282-L284 PolarHBondContact O-N 3.29Å; Q282-L284 VanDerWaalsContact O-N 3.09Å; Q282-Y641 HydrophobicContact CG-CE1 4.03Å; Q282-Y641 VanDerWaalsContact NE2-CE1 3.34Å | ||
| 283 | T | 89.5 | Confident | 77.8 | Confident | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | trans | -66.8 | 104.5 | 165.3 | -46.8 | 0 | 0 | 0 | 0 | 108.6 | K53 F59 | K53-T283 HydrophobicContact CB-CG2 4.2Å; K53-T283 HydrophobicContact CG-CG2 4.04Å; K53-T283 PolarHBondContact O-OG1 3.49Å; F59-T283 HydrophobicContact CE2-CG2 3.87Å; F59-T283 HydrophobicContact CZ-CG2 3.79Å | ||
| 284 | L | 89.5 | Confident | 79.4 | Confident | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 120.7 | 173.4 | -69.1 | 175.4 | 0 | 0 | 0 | 108.5 | K202 H203 L215 Q282 | K202-L284 HydrophobicContact CB-CD1 4.17Å; H203-L284 HydrophobicContact CB-CD1 3.98Å; L215-L284 HydrophobicContact CD1-CD1 4.19Å; L215-L284 HydrophobicContact CD1-CD2 4Å; L215-L284 HydrophobicContact CD1-CG 4.19Å; Q282-L284 PolarHBondContact O-N 3.29Å; Q282-L284 VanDerWaalsContact O-N 3.09Å |
| 285 | P | 85.8 | Confident | 81 | Confident | 66 Ų | 66 | 57.1 Ų | 57.1 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 141.3 | 179.3 | 28.5 | -34.1 | 0 | 0 | 0 | 110.5 | P287 | P285-P287 WeakPolarHBondContact O-CD 3.39Š|
| 286 | L | 88.4 | Confident | 82.8 | Confident | 22 Ų | 22 | 47.8 Ų | 47.8 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 123.3 | 164.2 | -79.4 | 162.9 | 0 | 0 | 0 | 109 | L94 Q95 F145 L148 V149 | L94-L286 HydrophobicContact CD2-CD1 3.99Å; L94-L286 HydrophobicContact CD2-CD2 4.41Å; Q95-L286 HydrophobicContact CG-CD1 3.72Å; Q95-L286 HydrophobicContact CG-CG 4.25Å; F145-L286 HydrophobicContact CD2-CD2 3.51Å; F145-L286 HydrophobicContact CD2-CG 4.17Å; F145-L286 HydrophobicContact CE2-CD2 3.47Å; F145-L286 VanDerWaalsContact CE2-CD2 3.47Å; F145-L286 HydrophobicContact CE2-CG 3.84Å; F145-L286 HydrophobicContact CG-CD2 4.29Å; F145-L286 HydrophobicContact CZ-CD2 4.21Å; L148-L286 HydrophobicContact CD2-CD2 4.32Å; V149-L286 HydrophobicContact CG2-CD2 3.86Å |
| 287 | P | 89.9 | Confident | 84.5 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 148 | 172 | -28.9 | 37.3 | 0 | 0 | 0 | 112.2 | V149 P285 A289 R661 | V149-P287 HydrophobicContact CG1-CB 4.41Å; V149-P287 HydrophobicContact CG1-CG 3.85Å; V149-P287 HydrophobicContact CG2-CG 4.45Å; P285-P287 WeakPolarHBondContact O-CD 3.39Å; P287-A289 PolarHBondContact O-N 3.18Å; P287-R661 PolarHBondContact O-NH2 3Å |
| 288 | T | 89.3 | Confident | 86.3 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 9% | 0.086 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 122.5 | 175.9 | -43.7 | 0 | 0 | 0 | 0 | 109.4 | Q153 L186 I189 H191 L649 L657 | Q153-T288 PolarHBondContact NE2-O 3.38Å; L186-T288 HydrophobicContact CD2-CG2 3.66Å; I189-T288 HydrophobicContact CB-CG2 4.48Å; I189-T288 HydrophobicContact CD1-CG2 4.35Å; I189-T288 HydrophobicContact CG2-CG2 4.08Å; H191-T288 WeakPolarHBondContact NE2-CA 3.32Å; H191-T288 WeakPolarHBondContact NE2-CB 3.48Å; H191-T288 PolarHBondContact NE2-N 3.28Å; H191-T288 PolarHBondContact NE2-OG1 3.09Å; T288-L649 HydrophobicContact CG2-CD1 4.2Å; T288-L649 HydrophobicContact CG2-CD2 4.31Å; T288-L657 HydrophobicContact CG2-CD1 4.01Å |
| 289 | A | 89.8 | Confident | 88 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 141.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | E152 P287 T291 L657 | E152-A289 HydrophobicContact CB-CB 4.03Å; E152-A289 HydrophobicContact CG-CB 4.21Å; E152-A289 WeakPolarHBondContact OE2-CB 3.37Å; P287-A289 PolarHBondContact O-N 3.18Å; A289-T291 WeakPolarHBondContact O-CG2 3.4Å; A289-T291 PolarHBondContact O-N 3.45Å; A289-L657 HydrophobicContact CB-CD2 3.85Å |
| 290 | K | 88.1 | Confident | 89.4 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 24% | 0.235 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 120.3 | 176.3 | -164.5 | 176.9 | -169.5 | 177.9 | 0 | 109.3 | E152 Y292 E314 | E152-K290 WeakPolarHBondContact O-CB 3.32Å; E152-K290 PolarHBondContact O-N 2.94Å; K290-Y292 WeakPolarHBondContact CE-OH 3.42Å; K290-Y292 PolarHBondContact NZ-OH 3.01Å; K290-E314 IonicContact NZ-OE1 3.02Å; K290-E314 PolarHBondContact NZ-OE1 2.95Å; K290-E314 IonicContact NZ-OE2 3.32Å; K290-E314 PolarHBondContact NZ-OE2 3.44Å |
| 291 | T | 92.3 | Very high | 90 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.1 | -179.9 | 68.9 | 0 | 0 | 0 | 0 | 112 | T166 L186 S187 A289 | T166-T291 HydrophobicContact CG2-CG2 4.07Å; T166-T291 WeakPolarHBondContact O-CA 3.41Å; L186-T291 PolarHBondContact O-OG1 3.35Å; L186-T291 VanDerWaalsContact O-OG1 3.12Å; S187-T291 WeakPolarHBondContact CA-O 3.36Å; S187-T291 PolarHBondContact N-OG1 3.2Å; A289-T291 WeakPolarHBondContact O-CG2 3.4Å; A289-T291 PolarHBondContact O-N 3.45Å |
| 292 | Y | 92.7 | Very high | 90.1 | Very high | 47 Ų | 47 | 41 Ų | 41 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126 | 172.1 | -62.3 | -74.2 | 0 | 0 | 0 | 109.6 | I165 T166 V167 L168 K290 L310 E314 | I165-Y292 HydrophobicContact CG2-CD2 3.82Å; I165-Y292 HydrophobicContact CG2-CE2 3.89Å; T166-Y292 PolarHBondContact O-N 3.48Å; V167-Y292 CarbonylContact C-O 3.6Å; V167-Y292 VanDerWaalsContact CA-O 3.31Å; V167-Y292 WeakPolarHBondContact CA-O 3.43Å; L168-Y292 PolarHBondContact N-O 2.85Å; K290-Y292 WeakPolarHBondContact CE-OH 3.42Å; K290-Y292 PolarHBondContact NZ-OH 3.01Å; Y292-L310 HydrophobicContact CD1-CD1 4.45Å; Y292-L310 HydrophobicContact CE1-CD1 4.3Å; Y292-E314 PolarHBondContact OH-OE2 3.41Å |
| 293 | M | 93.3 | Very high | 90.2 | Very high | 61 Ų | 61 | 41 Ų | 41 | 30% | 0.3 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.8 | 174.8 | -171.3 | -171.2 | 72.6 | 0 | 0 | 110 | L168 M170 A183 E184 | L168-M293 HydrophobicContact CB-CB 4.5Å; L168-M293 HydrophobicContact CB-CG 4.39Å; L168-M293 WeakPolarHBondContact O-CA 3.46Å; M170-M293 HydrophobicContact SD-CG 4.35Å; M170-M293 HydrophobicContact SD-SD 4.31Å; A183-M293 HydrophobicContact CB-CG 4.38Å; A183-M293 HydrophobicContact CB-SD 3.77Å; E184-M293 HydrophobicContact CG-CE 3.59Å; E184-M293 HydrophobicContact CG-SD 4.05Å |
| 294 | F | 92.7 | Very high | 90.3 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 15% | 0.154 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.1 | 172.6 | -64.6 | -69.6 | 0 | 0 | 0 | 111.6 | V167 L168 L169 M170 W296 V303 I307 | V167-F294 HydrophobicContact CG1-CD2 3.68Å; V167-F294 HydrophobicContact CG1-CE2 4.16Å; L168-F294 PolarHBondContact O-N 3.46Å; L169-F294 HydrophobicContact CD2-CB 3.94Å; L169-F294 HydrophobicContact CD2-CD2 4.41Å; M170-F294 PolarHBondContact N-O 3.04Å; F294-W296 PolarHBondContact O-N 3.04Å; F294-V303 HydrophobicContact CB-CG2 3.85Å; F294-V303 HydrophobicContact CD1-CG2 3.74Å; F294-V303 HydrophobicContact CD2-CG2 4.37Å; F294-V303 HydrophobicContact CE1-CG2 4.38Å; F294-V303 HydrophobicContact CG-CG2 3.74Å; F294-I307 HydrophobicContact CE2-CD1 4.03Å; F294-I307 HydrophobicContact CE2-CG1 3.92Å; F294-I307 HydrophobicContact CZ-CG1 4.21Å |
| 295 | H | 91.3 | Very high | 90.3 | Very high | 102 Ų | 102 | 41.7 Ų | 41.7 | 47% | 0.472 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 122.2 | 168.5 | 179.5 | 39.2 | 0 | 0 | 0 | 110 | M170 N171 P172 E297 | M170-H295 WeakPolarHBondContact O-CA 3.5Å; N171-H295 PolarHBondContact OD1-CE1 2.68Å; P172-H295 VanDerWaalsContact CD-CE1 3.46Å; P172-H295 WeakPolarHBondContact CD-CE1 3.47Å; P172-H295 VanDerWaalsContact CD-ND1 3.27Å; P172-H295 WeakPolarHBondContact CD-ND1 3.29Å; H295-E297 IonicContact CD2-OE1 3.38Å; H295-E297 IonicContact CE1-OE1 3.49Å; H295-E297 PolarHBondContact CE1-OE1 3.47Å; H295-E297 IonicContact NE2-OE1 2.71Å; H295-E297 PolarHBondContact NE2-OE1 2.92Å |
| 296 | W | 92.1 | Very high | 90.5 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 2% | 0.023 | 20% | 0.2 | C | C | . | . | trans | -127.1 | 82.6 | -166.6 | -172.9 | 57 | 0 | 0 | 0 | 112.7 | L169 M170 F294 K298 N300 F301 V521 V527 K530 V531 A534 | L169-W296 HydrophobicContact CB-CB 4.01Å; L169-W296 HydrophobicContact CB-CD2 4.1Å; L169-W296 HydrophobicContact CB-CE3 4.07Å; L169-W296 HydrophobicContact CB-CG 4.09Å; L169-W296 HydrophobicContact CD1-CD2 4.03Å; L169-W296 HydrophobicContact CD1-CE3 4.48Å; L169-W296 HydrophobicContact CD1-CG 4.15Å; L169-W296 HydrophobicContact CD2-CB 4.33Å; L169-W296 HydrophobicContact CD2-CG 4.38Å; L169-W296 HydrophobicContact CG-CG 4.44Å; M170-W296 PolarHBondContact O-N 2.8Å; F294-W296 PolarHBondContact O-N 3.04Å; W296-K298 PolarHBondContact NE1-O 2.73Å; W296-N300 PolarHBondContact NE1-O 3.03Å; W296-F301 HydrophobicContact CH2-CE1 4.23Å; W296-F301 HydrophobicContact CZ2-CD1 4.22Å; W296-F301 AromaticContact CZ2-CE1 3.63Å; W296-F301 HydrophobicContact CZ2-CE1 3.63Å; W296-F301 HydrophobicContact CZ2-CZ 4.24Å; W296-V521 HydrophobicContact CE3-CG1 4.24Å; W296-V521 HydrophobicContact CZ3-CG1 3.71Å; W296-V527 HydrophobicContact CZ3-CG1 3.97Å; W296-K530 HydrophobicContact CH2-CB 4.33Å; W296-K530 HydrophobicContact CH2-CD 4.33Å; W296-K530 HydrophobicContact CH2-CG 3.71Å; W296-K530 HydrophobicContact CZ2-CG 4.11Å; W296-K530 HydrophobicContact CZ3-CD 4.26Å; W296-K530 HydrophobicContact CZ3-CG 4.12Å; W296-K530 VanDerWaalsContact O-CE 3.32Å; W296-K530 WeakPolarHBondContact O-CE 3.24Å; W296-K530 PolarHBondContact O-NZ 3.11Å; W296-V531 HydrophobicContact CH2-CB 4.39Å; W296-V531 HydrophobicContact CH2-CG2 3.59Å; W296-V531 HydrophobicContact CZ3-CG2 3.94Å; W296-A534 HydrophobicContact CZ2-CB 3.89Å | ||
| 297 | E | 86.2 | Confident | 90.5 | Very high | 110 Ų | 110 | 40.2 Ų | 40.2 | 51% | 0.514 | 20% | 0.195 | S | C | . | . | trans | -83.2 | -36.8 | 173.5 | -78.9 | 172.3 | -159.8 | 0 | 0 | 113.9 | H295 K530 | H295-E297 IonicContact CD2-OE1 3.38Å; H295-E297 IonicContact CE1-OE1 3.49Å; H295-E297 PolarHBondContact CE1-OE1 3.47Å; H295-E297 IonicContact NE2-OE1 2.71Å; H295-E297 PolarHBondContact NE2-OE1 2.92Å; E297-K530 WeakPolarHBondContact O-CE 3.37Å | ||
| 298 | K | 88 | Confident | 90.2 | Very high | 144 Ų | 144 | 42.1 Ų | 42.1 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -82.2 | 151.1 | -163.3 | -65.3 | 176.4 | -176.5 | 170.1 | 0 | 113.3 | W296 N300 | W296-K298 PolarHBondContact NE1-O 2.73Å; K298-N300 PolarHBondContact O-N 2.99Å |
| 299 | D | 88.6 | Confident | 89.6 | Confident | 41 Ų | 41 | 47 Ų | 47 | 22% | 0.219 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -74 | 35.8 | 174.4 | -104.6 | 51.3 | 0 | 0 | 0 | 113.6 | R533 A534 K823 | D299-R533 IonicContact OD1-CZ 3.65Å; D299-R533 IonicContact OD1-NE 3.44Å; D299-R533 IonicContact OD1-NH2 3.65Å; D299-R533 PolarHBondContact OD1-NH2 3.35Å; D299-R533 WeakPolarHBondContact OD2-CB 3.41Å; D299-R533 IonicContact OD2-CZ 2.66Å; D299-R533 IonicContact OD2-NE 3.48Å; D299-R533 PolarHBondContact OD2-NE 3.08Å; D299-R533 IonicContact OD2-NH2 3.99Å; D299-R533 PolarHBondContact OD2-NH2 3.38Å; D299-A534 WeakPolarHBondContact O-CA 3.46Å; D299-K823 VanDerWaalsContact CG-CE 3.42Å; D299-K823 WeakPolarHBondContact OD2-CE 3.36Å; D299-K823 IonicContact OD2-NZ 2.83Å; D299-K823 PolarHBondContact OD2-NZ 3.25Å |
| 300 | N | 91.4 | Very high | 88.8 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 17% | 0.166 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -153.6 | 167.7 | 180 | 67 | 36.6 | 0 | 0 | 0 | 111.7 | W296 K298 D302 | W296-N300 PolarHBondContact NE1-O 3.03Å; K298-N300 PolarHBondContact O-N 2.99Å; N300-D302 WeakPolarHBondContact CB-OD1 3.26Å; N300-D302 VanDerWaalsContact CG-OD1 3.29Å; N300-D302 VanDerWaalsContact ND2-CG 3.31Å; N300-D302 PolarHBondContact ND2-OD2 3.33Å; N300-D302 WeakPolarHBondContact OD1-CB 3.25Å; N300-D302 VanDerWaalsContact OD1-CG 3.23Å; N300-D302 PolarHBondContact OD1-N 3.38Å |
| 301 | F | 93.4 | Very high | 87.7 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | trans | -102.8 | 24.7 | 177.1 | -67.6 | -56.6 | 0 | 0 | 0 | 112.4 | L169 W296 V303 L304 V519 V531 A534 L538 F556 | L169-F301 HydrophobicContact CD1-CD1 3.87Å; L169-F301 HydrophobicContact CD1-CE1 3.75Å; W296-F301 HydrophobicContact CH2-CE1 4.23Å; W296-F301 HydrophobicContact CZ2-CD1 4.22Å; W296-F301 AromaticContact CZ2-CE1 3.63Å; W296-F301 HydrophobicContact CZ2-CE1 3.63Å; W296-F301 HydrophobicContact CZ2-CZ 4.24Å; F301-V303 PolarHBondContact O-N 2.99Å; F301-V303 VanDerWaalsContact O-N 3.16Å; F301-L304 HydrophobicContact CB-CD1 3.9Å; F301-L304 HydrophobicContact CB-CG 4.17Å; F301-L304 HydrophobicContact CD1-CD1 4.2Å; F301-L304 HydrophobicContact CG-CD1 4.22Å; F301-L304 WeakPolarHBondContact O-CB 3.43Å; F301-L304 PolarHBondContact O-N 2.9Å; F301-V519 HydrophobicContact CE1-CG1 4.44Å; F301-V531 HydrophobicContact CZ-CG1 4.33Å; F301-A534 HydrophobicContact CD1-CB 4.34Å; F301-A534 HydrophobicContact CD2-CB 3.81Å; F301-A534 HydrophobicContact CE1-CB 4.09Å; F301-A534 HydrophobicContact CE2-CB 3.54Å; F301-A534 HydrophobicContact CG-CB 4.21Å; F301-A534 HydrophobicContact CZ-CB 3.68Å; F301-L538 HydrophobicContact CB-CD2 4.42Å; F301-L538 HydrophobicContact CD2-CB 4.17Å; F301-L538 HydrophobicContact CD2-CD2 3.85Å; F301-F556 HydrophobicContact CD2-CE1 4.29Å; F301-F556 HydrophobicContact CE1-CE1 4.19Å; F301-F556 AromaticContact CE2-CE1 3.64Å; F301-F556 HydrophobicContact CE2-CE1 3.64Å; F301-F556 HydrophobicContact CE2-CZ 4.14Å; F301-F556 HydrophobicContact CZ-CD1 4.18Å; F301-F556 AromaticContact CZ-CE1 3.6Å; F301-F556 HydrophobicContact CZ-CE1 3.6Å | ||
| 302 | D | 90.9 | Very high | 86 | Confident | 54 Ų | 54 | 51.5 Ų | 51.5 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -63.4 | -26.9 | -173.1 | -61.3 | 3.7 | 0 | 0 | 0 | 111.9 | N300 L304 H305 K541 | N300-D302 WeakPolarHBondContact CB-OD1 3.26Å; N300-D302 VanDerWaalsContact CG-OD1 3.29Å; N300-D302 VanDerWaalsContact ND2-CG 3.31Å; N300-D302 PolarHBondContact ND2-OD2 3.33Å; N300-D302 WeakPolarHBondContact OD1-CB 3.25Å; N300-D302 VanDerWaalsContact OD1-CG 3.23Å; N300-D302 PolarHBondContact OD1-N 3.38Å; D302-L304 PolarHBondContact O-N 2.94Å; D302-H305 WeakPolarHBondContact O-CB 3.43Å; D302-H305 PolarHBondContact O-CD2 2.78Å; D302-H305 VanDerWaalsContact O-CD2 3.28Å; D302-H305 PolarHBondContact O-N 3.49Å; D302-H305 VanDerWaalsContact O-N 3.16Å; D302-K541 IonicContact OD1-NZ 2.74Å; D302-K541 PolarHBondContact OD1-NZ 3.39Å; D302-K541 IonicContact OD2-NZ 2.64Å; D302-K541 PolarHBondContact OD2-NZ 2.9Å |
| 303 | V | 91.7 | Very high | 83.8 | Confident | 39 Ų | 39 | 55.9 Ų | 55.9 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -63.4 | -23 | 173.8 | 69.1 | 0 | 0 | 0 | 0 | 113.4 | L169 F294 F301 H305 T306 | L169-V303 HydrophobicContact CD2-CG1 4.16Å; F294-V303 HydrophobicContact CB-CG2 3.85Å; F294-V303 HydrophobicContact CD1-CG2 3.74Å; F294-V303 HydrophobicContact CD2-CG2 4.37Å; F294-V303 HydrophobicContact CE1-CG2 4.38Å; F294-V303 HydrophobicContact CG-CG2 3.74Å; F301-V303 PolarHBondContact O-N 2.99Å; F301-V303 VanDerWaalsContact O-N 3.16Å; V303-H305 PolarHBondContact O-N 3.3Å; V303-T306 PolarHBondContact O-N 3.47Å |
| 304 | L | 91.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -72.2 | -14.9 | 176.1 | -56.3 | -175.7 | 0 | 0 | 0 | 112.4 | V167 L169 F301 D302 T306 I307 L517 V519 L548 | V167-L304 HydrophobicContact CG1-CD2 3.97Å; V167-L304 HydrophobicContact CG2-CD2 4.48Å; L169-L304 HydrophobicContact CD2-CD2 4.23Å; F301-L304 HydrophobicContact CB-CD1 3.9Å; F301-L304 HydrophobicContact CB-CG 4.17Å; F301-L304 HydrophobicContact CD1-CD1 4.2Å; F301-L304 HydrophobicContact CG-CD1 4.22Å; F301-L304 WeakPolarHBondContact O-CB 3.43Å; F301-L304 PolarHBondContact O-N 2.9Å; D302-L304 PolarHBondContact O-N 2.94Å; L304-T306 VanDerWaalsContact C-N 3.25Å; L304-T306 PolarHBondContact O-N 3.37Å; L304-I307 HydrophobicContact CB-CD1 4.29Å; L304-I307 HydrophobicContact CD2-CD1 3.87Å; L304-I307 WeakPolarHBondContact O-CB 3.38Å; L304-I307 WeakPolarHBondContact O-CG1 3.24Å; L304-I307 PolarHBondContact O-N 3.2Å; L304-L517 HydrophobicContact CD1-CD2 4.26Å; L304-V519 HydrophobicContact CD1-CG2 3.77Å; L304-L548 HydrophobicContact CB-CD1 3.98Å; L304-L548 HydrophobicContact CB-CD2 4.06Å |
| 305 | H | 88.9 | Confident | 79.3 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 17% | 0.167 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -65.2 | -29.4 | 174.1 | -67.7 | -54.9 | 0 | 0 | 0 | 112.5 | D302 V303 I307 L308 | D302-H305 WeakPolarHBondContact O-CB 3.43Å; D302-H305 PolarHBondContact O-CD2 2.78Å; D302-H305 VanDerWaalsContact O-CD2 3.28Å; D302-H305 PolarHBondContact O-N 3.49Å; D302-H305 VanDerWaalsContact O-N 3.16Å; V303-H305 PolarHBondContact O-N 3.3Å; H305-I307 PolarHBondContact O-N 2.97Å; H305-I307 VanDerWaalsContact O-N 3.09Å; H305-L308 VanDerWaalsContact O-CB 3.28Å; H305-L308 WeakPolarHBondContact O-CB 3.47Å; H305-L308 PolarHBondContact O-N 2.92Å |
| 306 | T | 89 | Confident | 76.5 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 33% | 0.331 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -19.3 | 175 | -53.1 | 0 | 0 | 0 | 0 | 112.9 | V303 L304 E309 L310 | V303-T306 PolarHBondContact O-N 3.47Å; L304-T306 VanDerWaalsContact C-N 3.25Å; L304-T306 PolarHBondContact O-N 3.37Å; T306-E309 WeakPolarHBondContact CA-OE2 3.48Å; T306-E309 PolarHBondContact O-N 2.82Å; T306-L310 HydrophobicContact CG2-CD1 4.4Å; T306-L310 VanDerWaalsContact O-CG 3.31Å; T306-L310 WeakPolarHBondContact O-CG 3.47Å; T306-L310 PolarHBondContact O-N 3.42Å |
| 307 | I | 88.4 | Confident | 73.8 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -74.5 | -29.3 | 175.8 | -52.1 | 174.8 | 0 | 0 | 0 | 111.2 | I165 V167 F294 L304 H305 E309 D311 L517 F552 | I165-I307 HydrophobicContact CD1-CG2 3.87Å; I165-I307 HydrophobicContact CG2-CG2 4.09Å; V167-I307 HydrophobicContact CG2-CD1 3.42Å; V167-I307 VanDerWaalsContact CG2-CD1 3.42Å; F294-I307 HydrophobicContact CE2-CD1 4.03Å; F294-I307 HydrophobicContact CE2-CG1 3.92Å; F294-I307 HydrophobicContact CZ-CG1 4.21Å; L304-I307 HydrophobicContact CB-CD1 4.29Å; L304-I307 HydrophobicContact CD2-CD1 3.87Å; L304-I307 WeakPolarHBondContact O-CB 3.38Å; L304-I307 WeakPolarHBondContact O-CG1 3.24Å; L304-I307 PolarHBondContact O-N 3.2Å; H305-I307 PolarHBondContact O-N 2.97Å; H305-I307 VanDerWaalsContact O-N 3.09Å; I307-E309 VanDerWaalsContact C-N 3.27Å; I307-D311 WeakPolarHBondContact O-CB 3.4Å; I307-D311 PolarHBondContact O-N 3Å; I307-L517 HydrophobicContact CD1-CD1 3.86Å; I307-L517 HydrophobicContact CD1-CD2 4.19Å; I307-F552 HydrophobicContact CB-CZ 4.49Å; I307-F552 HydrophobicContact CG2-CE2 4.48Å; I307-F552 HydrophobicContact CG2-CZ 4.01Å |
| 308 | L | 83.8 | Confident | 71.1 | Confident | 46 Ų | 46 | 62.6 Ų | 62.6 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.5 | -31.2 | 172.6 | -57.5 | 167.8 | 0 | 0 | 0 | 111.3 | H305 L548 A551 F552 | H305-L308 VanDerWaalsContact O-CB 3.28Å; H305-L308 WeakPolarHBondContact O-CB 3.47Å; H305-L308 PolarHBondContact O-N 2.92Å; L308-L548 HydrophobicContact CD1-CD2 4.11Å; L308-L548 HydrophobicContact CG-CD2 4.31Å; L308-A551 HydrophobicContact CD2-CB 3.52Å; L308-F552 HydrophobicContact CD2-CD2 4.37Å; L308-F552 HydrophobicContact CD2-CE2 3.49Å; L308-F552 VanDerWaalsContact CD2-CE2 3.49Å; L308-F552 HydrophobicContact CD2-CZ 3.59Å; L308-F552 HydrophobicContact CG-CE2 4.11Å; L308-F552 HydrophobicContact CG-CZ 4.39Å |
| 309 | E | 77.8 | Confident | 68.4 | Low | 115 Ų | 115 | 64.7 Ų | 64.7 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.9 | -47.1 | 176.1 | -63.8 | 158.7 | -178.1 | 0 | 0 | 109.8 | T306 I307 D311 A312 D313 | T306-E309 WeakPolarHBondContact CA-OE2 3.48Å; T306-E309 PolarHBondContact O-N 2.82Å; I307-E309 VanDerWaalsContact C-N 3.27Å; E309-D311 PolarHBondContact O-N 3.06Å; E309-A312 PolarHBondContact O-N 3.01Å; E309-D313 PolarHBondContact O-N 2.87Å |
| 310 | L | 73.6 | Confident | 65.5 | Low | 56 Ų | 56 | 71.4 Ų | 71.4 | 29% | 0.293 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 177.5 | -70.8 | 167.9 | 0 | 0 | 0 | 114 | Y292 T306 A312 D313 E314 | Y292-L310 HydrophobicContact CD1-CD1 4.45Å; Y292-L310 HydrophobicContact CE1-CD1 4.3Å; T306-L310 HydrophobicContact CG2-CD1 4.4Å; T306-L310 VanDerWaalsContact O-CG 3.31Å; T306-L310 WeakPolarHBondContact O-CG 3.47Å; T306-L310 PolarHBondContact O-N 3.42Å; L310-A312 PolarHBondContact O-N 2.91Å; L310-D313 PolarHBondContact O-N 2.71Å; L310-E314 PolarHBondContact O-N 2.97Å |
| 311 | D | 63.7 | Low | 62.4 | Low | 43 Ų | 43 | 73.8 Ų | 73.8 | 23% | 0.23 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -74 | -17 | 178.8 | -156.9 | 53.5 | 0 | 0 | 0 | 112.8 | K163 I307 E309 | K163-D311 IonicContact NZ-OD1 2.77Å; K163-D311 PolarHBondContact NZ-OD1 3.5Å; K163-D311 IonicContact NZ-OD2 2.67Å; K163-D311 PolarHBondContact NZ-OD2 2.9Å; I307-D311 WeakPolarHBondContact O-CB 3.4Å; I307-D311 PolarHBondContact O-N 3Å; E309-D311 PolarHBondContact O-N 3.06Å |
| 312 | A | 57.3 | Low | 59.4 | Low | 58 Ų | 58 | 80 Ų | 80 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -82.4 | -41.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E309 L310 F315 G316 | E309-A312 PolarHBondContact O-N 3.01Å; L310-A312 PolarHBondContact O-N 2.91Å; A312-F315 CarbonylContact O-C 3.55Å; A312-F315 PolarHBondContact O-N 3.28Å; A312-G316 PolarHBondContact O-N 3.14Å |
| 313 | D | 46.1 | Very low | 56.4 | Low | 138 Ų | 138 | 84.9 Ų | 84.9 | 74% | 0.738 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.7 | -34.7 | 179.1 | -80.1 | -19.4 | 0 | 0 | 0 | 113 | E309 L310 F315 | E309-D313 PolarHBondContact O-N 2.87Å; L310-D313 PolarHBondContact O-N 2.71Å; D313-F315 VanDerWaalsContact C-N 3.3Å; D313-F315 PolarHBondContact O-N 2.93Å |
| 314 | E | 50.4 | Low | 53.3 | Low | 98 Ų | 98 | 91.9 Ų | 91.9 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -18 | 174.6 | -73.1 | -161.2 | 127.9 | 0 | 0 | 113.7 | K290 Y292 L310 | K290-E314 IonicContact NZ-OE1 3.02Å; K290-E314 PolarHBondContact NZ-OE1 2.95Å; K290-E314 IonicContact NZ-OE2 3.32Å; K290-E314 PolarHBondContact NZ-OE2 3.44Å; Y292-E314 PolarHBondContact OH-OE2 3.41Å; L310-E314 PolarHBondContact O-N 2.97Å |
| 315 | F | 41.7 | Very low | 50.3 | Low | 79 Ų | 79 | 99.9 Ų | 99.9 | 35% | 0.346 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.7 | 57.4 | -177.2 | -62.8 | -83 | 0 | 0 | 0 | 111.5 | G154 A312 D313 A317 | G154-F315 WeakPolarHBondContact O-CZ 3.49Å; A312-F315 CarbonylContact O-C 3.55Å; A312-F315 PolarHBondContact O-N 3.28Å; D313-F315 VanDerWaalsContact C-N 3.3Å; D313-F315 PolarHBondContact O-N 2.93Å; F315-A317 PolarHBondContact O-N 2.97Å |
| 316 | G | 31.9 | Very low | 47.4 | Very low | 62 Ų | 62 | 107.1 Ų | 107.1 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | trans | -52.9 | 131.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | A312 | A312-G316 PolarHBondContact O-N 3.14Š| ||
| 317 | A | 35.3 | Very low | 44.5 | Very low | 103 Ų | 103 | 111.8 Ų | 111.8 | 85% | 0.851 | 61% | 0.611 | S | S | * | * | trans | 63.1 | 83.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | F315 | F315-A317 PolarHBondContact O-N 2.97Š| ||
| 318 | S | 30.3 | Very low | 41.9 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 79% | 0.79 | 65% | 0.652 | S | S | * | * | trans | -129.5 | 50.9 | 142.5 | 75.2 | 0 | 0 | 0 | 0 | 111.2 | E320 | S318-E320 PolarHBondContact O-N 3.04Š| ||
| 319 | E | 30.3 | Very low | 39.5 | Very low | 188 Ų | 188 | 122.1 Ų | 122.1 | 88% | 0.879 | 68% | 0.675 | S | S | * | * | trans | -71 | 81.9 | 158.4 | -72 | -169.7 | 147.2 | 0 | 0 | 108.3 | A321 | E319-A321 PolarHBondContact O-N 3.47Š| ||
| 320 | E | 27.1 | Very low | 37.3 | Very low | 182 Ų | 182 | 124.1 Ų | 124.1 | 85% | 0.85 | 69% | 0.69 | S | S | * | * | trans | -67 | 91.1 | 152 | -74.1 | -165.9 | 157.4 | 0 | 0 | 106.7 | S318 V322 | S318-E320 PolarHBondContact O-N 3.04Å; E320-V322 PolarHBondContact O-N 3.39Å | ||
| 321 | A | 27.5 | Very low | 35.5 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | trans | -58.5 | 112.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | E319 E323 | E319-A321 PolarHBondContact O-N 3.47Å; A321-E323 PolarHBondContact O-N 2.94Å | ||
| 322 | V | 30.3 | Very low | 34.1 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | -70.2 | 89.1 | 165 | -179.1 | 0 | 0 | 0 | 0 | 106 | E320 E324 | E320-V322 PolarHBondContact O-N 3.39Å; V322-E324 PolarHBondContact O-N 3.44Å; V322-E324 VanDerWaalsContact O-N 3.07Å | ||
| 323 | E | 27.5 | Very low | 33 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | trans | -57.9 | 111.5 | 166.5 | -69.9 | -174 | 153 | 0 | 0 | 107.6 | A321 K325 | A321-E323 PolarHBondContact O-N 2.94Å; E323-K325 VanDerWaalsContact C-N 3.34Å; E323-K325 PolarHBondContact O-N 3.15Å | ||
| 324 | E | 27.4 | Very low | 32.2 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -65.1 | 98 | 169.9 | -68 | -174.1 | 151.7 | 0 | 0 | 107.5 | V322 E326 | V322-E324 PolarHBondContact O-N 3.44Å; V322-E324 VanDerWaalsContact O-N 3.07Å; E324-E326 PolarHBondContact O-N 3.41Å | ||
| 325 | K | 28.1 | Very low | 31.3 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | -72.9 | 109.8 | 172.6 | -71.7 | -167.4 | 174.5 | -170.9 | 0 | 109.1 | E323 D327 | E323-K325 VanDerWaalsContact C-N 3.34Å; E323-K325 PolarHBondContact O-N 3.15Å; K325-D327 PolarHBondContact O-N 2.87Å | ||
| 326 | E | 28.6 | Very low | 30.8 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -63.6 | 97 | 158.1 | -62.2 | 178.2 | 141.1 | 0 | 0 | 107.6 | E324 D328 | E324-E326 PolarHBondContact O-N 3.41Å; E326-D328 PolarHBondContact O-N 2.9Å; E326-D328 VanDerWaalsContact O-N 3.14Å | ||
| 327 | D | 28.4 | Very low | 30.8 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -76.3 | 92.8 | 166.7 | -97.7 | -19.1 | 0 | 0 | 0 | 107.8 | K325 S329 | K325-D327 PolarHBondContact O-N 2.87Å; D327-S329 PolarHBondContact O-N 3.49Å | ||
| 328 | D | 33.2 | Very low | 30.7 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -79.3 | 107.5 | 174.8 | -156.1 | 19.7 | 0 | 0 | 0 | 108.9 | E326 | E326-D328 PolarHBondContact O-N 2.9Å; E326-D328 VanDerWaalsContact O-N 3.14Å | ||
| 329 | S | 31.9 | Very low | 30.9 | Very low | 104 Ų | 104 | 151.3 Ų | 151.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -147.6 | 105 | 175 | 68 | 0 | 0 | 0 | 0 | 112.1 | D327 | D327-S329 PolarHBondContact O-N 3.49Š| ||
| 330 | D | 33.4 | Very low | 31.1 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -57.9 | 140.8 | 163.8 | -69 | -58.2 | 0 | 0 | 0 | 111 | ||||
| 331 | D | 34.3 | Very low | 31.3 | Very low | 172 Ų | 172 | 149 Ų | 149 | 92% | 0.92 | 79% | 0.787 | S | S | * | * | trans | -151.1 | 140.2 | 144.9 | -122.3 | -27.1 | 0 | 0 | 0 | 108.8 | ||||
| 332 | E | 35.2 | Very low | 31.4 | Very low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -89.8 | 166.1 | -164.4 | -63.6 | -171.2 | 163.6 | 0 | 0 | 115 | ||||
| 333 | Q | 33.5 | Very low | 31.4 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | 109.5 | 107.8 | 128.2 | -140.4 | 150.5 | 107.9 | 0 | 0 | 119.8 | |||||
| 334 | D | 30.9 | Very low | 31.4 | Very low | 162 Ų | 162 | 149.1 Ų | 149.1 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | 94.6 | 145.4 | 136.6 | -146.3 | 5.1 | 0 | 0 | 0 | 121.5 | ||||
| 335 | G | 30.1 | Very low | 31.4 | Very low | 55 Ų | 55 | 147.3 Ų | 147.3 | 57% | 0.567 | 80% | 0.797 | S | S | * | * | trans | 131.1 | 63.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 336 | T | 31.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | 52.3 | 123.7 | 147.8 | 52.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 337 | E | 32.4 | Very low | 31.5 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | 57.8 | 128.7 | 85.5 | -61.2 | 176.2 | 166 | 0 | 0 | 113.5 | |||||
| 338 | D | 32.8 | Very low | 31.4 | Very low | 165 Ų | 165 | 136 Ų | 136 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | cis | -120.7 | -153.9 | 13.8 | -50 | -63.3 | 0 | 0 | 0 | 112.9 | ||||
| 339 | D | 34.1 | Very low | 31.1 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | -160.4 | -164.4 | -88.9 | -166 | 8.1 | 0 | 0 | 0 | 110.2 | |||||
| 340 | E | 35.2 | Very low | 30.8 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | 87.3 | 94.3 | 166.9 | -68.9 | -112.1 | 125.3 | 0 | 0 | 120.8 | ||||
| 341 | E | 31.3 | Very low | 30.7 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 56.7 | 127.4 | 131.7 | -66.9 | -123.7 | 121.6 | 0 | 0 | 123.7 | ||||
| 342 | G | 30.4 | Very low | 30.4 | Very low | 83 Ų | 83 | 131.3 Ų | 131.3 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | -171.8 | 75 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 343 | R | 29.8 | Very low | 29.9 | Very low | 224 Ų | 224 | 131.4 Ų | 131.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -70.8 | 147.8 | -170.8 | -72.3 | 172.6 | 163.3 | -107.8 | -1.2 | 116.7 | ||||
| 344 | G | 27.3 | Very low | 29.6 | Very low | 67 Ų | 67 | 130.7 Ų | 130.7 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 140.8 | 74.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 345 | V | 28.4 | Very low | 29.5 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | 63.3 | 111.9 | 78.9 | -175.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 346 | G | 27.1 | Very low | 29.5 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 135.8 | 85.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 347 | S | 29.8 | Very low | 29.3 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | 72.9 | 130.7 | 59.9 | -165.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 348 | A | 26.5 | Very low | 29.2 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | cis | -170 | 179.4 | -15.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 349 | L | 26.5 | Very low | 29 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | 68.2 | 134.8 | 176.9 | -79.4 | 77.7 | 0 | 0 | 0 | 116.2 | ||||
| 350 | V | 27.4 | Very low | 28.9 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | cis | 83 | 113.3 | 20.9 | -172.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 351 | V | 29.8 | Very low | 28.5 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | 176 | 120.7 | 138.4 | 155.5 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 352 | A | 27.8 | Very low | 28.5 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | cis | 89.7 | 83 | 21.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 353 | D | 26.2 | Very low | 28.4 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -175.7 | 128.2 | 146.7 | -109.3 | 7.9 | 0 | 0 | 0 | 105.8 | ||||
| 354 | D | 27 | Very low | 28.3 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | 116.3 | 157.3 | 11 | -162 | 22.3 | 0 | 0 | 0 | 112.8 | ||||
| 355 | C | 29.4 | Very low | 28.3 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 69% | 0.689 | 77% | 0.767 | S | S | * | * | trans | 72.7 | 89.7 | 174.2 | -74.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 356 | N | 28 | Very low | 28.3 | Very low | 165 Ų | 165 | 126.4 Ų | 126.4 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | 59.4 | 124.1 | 109.2 | -163 | 8.3 | 0 | 0 | 0 | 120.8 | |||||
| 357 | G | 29.1 | Very low | 28.4 | Very low | 78 Ų | 78 | 130.2 Ų | 130.2 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -170.1 | 78.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 358 | S | 29.1 | Very low | 28.3 | Very low | 94 Ų | 94 | 129 Ų | 129 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | trans | -58.1 | 146.8 | -175.8 | -171.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 359 | H | 29.7 | Very low | 28.3 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | 21.5 | 132.4 | 160.5 | -47.6 | -58.6 | 0 | 0 | 0 | 122.1 | ||||
| 360 | R | 31.9 | Very low | 28.3 | Very low | 234 Ų | 234 | 129.1 Ų | 129.1 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | 170.5 | 128.3 | 100.5 | -93.9 | -175.4 | 176 | 162.2 | 1.1 | 116.6 | |||||
| 361 | V | 26.5 | Very low | 28.4 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | 49.1 | 95.7 | 123.2 | -173.1 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 362 | S | 30.8 | Very low | 28.4 | Very low | 99 Ų | 99 | 127 Ų | 127 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | 87.9 | 144.3 | 125.4 | -60.4 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 363 | T | 29.3 | Very low | 28.6 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | trans | 80.3 | 122.1 | 141.8 | 34.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 364 | F | 27 | Very low | 28.9 | Very low | 199 Ų | 199 | 125.8 Ų | 125.8 | 87% | 0.873 | 74% | 0.743 | S | S | * | * | trans | 65.3 | 128 | 143.2 | -113.3 | -120.4 | 0 | 0 | 0 | 118.3 | ||||
| 365 | S | 28.1 | Very low | 29.4 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 50% | 0.497 | 74% | 0.74 | S | S | . | * | cis | 170.9 | 168 | 8.7 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 366 | T | 28.3 | Very low | 29.4 | Very low | 119 Ų | 119 | 127 Ų | 127 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | trans | 76.4 | 130.9 | 145.2 | 18.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 367 | I | 28.9 | Very low | 29.7 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | trans | 55.8 | 111.8 | 148.4 | 48.7 | 152.5 | 0 | 0 | 0 | 124.3 | ||||
| 368 | S | 27 | Very low | 29.9 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | 104 | 153 | 113.6 | -73.3 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 369 | S | 25.8 | Very low | 30 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | 71.6 | 112.3 | 167.3 | -53.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 370 | T | 27.7 | Very low | 30 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | 60.8 | 138.1 | 59.5 | 82.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 371 | S | 29.9 | Very low | 29.8 | Very low | 94 Ų | 94 | 120.9 Ų | 120.9 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | cis | -169.3 | -177.6 | 26.4 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 372 | T | 29.1 | Very low | 29.9 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | trans | 73.6 | 154.7 | 165.9 | 70.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 373 | T | 31.4 | Very low | 29.7 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | cis | -107.6 | 139.9 | 13.5 | 45.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 374 | S | 33.6 | Very low | 29.5 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | 68 | 146.2 | 66 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 375 | K | 36.2 | Very low | 29.4 | Very low | 167 Ų | 167 | 118.3 Ų | 118.3 | 73% | 0.726 | 70% | 0.701 | S | S | * | * | cis | -161.6 | 169.1 | 1.8 | -119.1 | 168 | 148.7 | -81.7 | 0 | 106.7 | ||||
| 376 | D | 30.5 | Very low | 29.4 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 58% | 0.578 | 71% | 0.707 | S | S | * | * | cis | -139.5 | 166.6 | 2.3 | -100.5 | -57.9 | 0 | 0 | 0 | 106.9 | ||||
| 377 | S | 33.6 | Very low | 29.2 | Very low | 95 Ų | 95 | 121.6 Ų | 121.6 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | cis | 96.4 | 158.2 | 26.8 | -155.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 378 | M | 33.5 | Very low | 29.2 | Very low | 154 Ų | 154 | 120.3 Ų | 120.3 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | 94.7 | 130.6 | 169.1 | -47 | -139.5 | -67.9 | 0 | 0 | 118.8 | ||||
| 379 | F | 31.5 | Very low | 29.2 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | cis | -152.3 | 125 | -17.6 | -129.7 | -112.3 | 0 | 0 | 0 | 104.6 | ||||
| 380 | S | 30.1 | Very low | 30.2 | Very low | 90 Ų | 90 | 126.5 Ų | 126.5 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | 75.2 | 162.1 | 100 | -52.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 381 | T | 27 | Very low | 30.7 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | cis | -163.4 | 145.8 | 12.4 | -8.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 382 | M | 27.9 | Very low | 30.4 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 80% | 0.803 | 73% | 0.725 | S | S | * | * | trans | 66.2 | 154.7 | 145.6 | -56.9 | -82 | 88.8 | 0 | 0 | 119.7 | ||||
| 383 | S | 27.1 | Very low | 30.3 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 55% | 0.545 | 72% | 0.723 | S | S | . | * | cis | -170.7 | 159.4 | -17.9 | -106 | 0 | 0 | 0 | 0 | 115 | ||||
| 384 | L | 25.7 | Very low | 30.1 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | trans | 65.3 | 129.5 | 144.1 | -68.9 | 164.3 | 0 | 0 | 0 | 123.3 | ||||
| 385 | A | 25.6 | Very low | 29.7 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 73% | 0.725 | S | S | * | * | trans | 65.8 | 159 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 386 | S | 26.2 | Very low | 29.2 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | cis | -148.5 | 160.4 | -12.4 | -138.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 387 | E | 25.5 | Very low | 29.2 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | trans | 33.9 | 143.4 | 142.5 | -69.4 | 162.2 | 119.3 | 0 | 0 | 125.4 | ||||
| 388 | S | 27.4 | Very low | 28.9 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | 100.6 | 159.8 | 135.9 | 76.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 389 | Y | 27.2 | Very low | 28.8 | Very low | 228 Ų | 228 | 127.7 Ų | 127.7 | 89% | 0.894 | 74% | 0.742 | S | S | * | * | trans | -107.1 | 169.6 | -159.9 | -95 | -100.3 | 0 | 0 | 0 | 112.4 | ||||
| 390 | P | 47.9 | Very low | 28.6 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | trans | -86 | 180 | -170.5 | 38 | -37.4 | 0 | 0 | 0 | 113.5 | ||||
| 391 | P | 37.1 | Very low | 28.9 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | -140.3 | -148.7 | 106.5 | 41 | -27.7 | 0 | 0 | 0 | 114 | |||||
| 392 | S | 25.2 | Very low | 28.9 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | -137.6 | 179.2 | -149.1 | 51.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 393 | L | 26.5 | Very low | 29.2 | Very low | 135 Ų | 135 | 123 Ų | 123 | 71% | 0.707 | 74% | 0.744 | S | S | * | * | trans | 101.4 | 127.8 | 156.8 | -56.2 | -175.8 | 0 | 0 | 0 | 120.4 | ||||
| 394 | F | 26.3 | Very low | 29.3 | Very low | 185 Ų | 185 | 125.9 Ų | 125.9 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | 57.8 | 151.1 | 144.4 | -64 | -46.5 | 0 | 0 | 0 | 121 | ||||
| 395 | S | 26 | Very low | 29.5 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | cis | -171.5 | -177.7 | -12.6 | 50.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 396 | V | 26.2 | Very low | 29.8 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | 65.4 | 154.1 | 166.9 | -110.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 397 | T | 29 | Very low | 30 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | cis | -143 | 159.1 | 13.9 | 56.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 398 | S | 28.4 | Very low | 30.2 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | 61.7 | 145.6 | 142.7 | 55.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 399 | S | 30.2 | Very low | 30.4 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | cis | -171.9 | 155.2 | -2.9 | 44.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 400 | G | 28.1 | Very low | 30.7 | Very low | 67 Ų | 67 | 126.2 Ų | 126.2 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | 115.6 | 113.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 401 | V | 35.6 | Very low | 30 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | cis | 77.3 | 125.9 | 30.6 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 402 | D | 27.7 | Very low | 29.7 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | cis | -125.6 | 151.8 | 16.9 | -102.1 | -42.2 | 0 | 0 | 0 | 113.2 | ||||
| 403 | S | 34.3 | Very low | 29.9 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | 72.6 | 143.5 | 96.9 | 108.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 404 | D | 29.4 | Very low | 29.9 | Very low | 138 Ų | 138 | 129 Ų | 129 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | cis | -144.4 | 145.3 | 5.5 | -84.6 | -58.8 | 0 | 0 | 0 | 108.7 | ||||
| 405 | Y | 30.6 | Very low | 29.9 | Very low | 191 Ų | 191 | 125.7 Ų | 125.7 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | 66.8 | 117.8 | 66.1 | -159.7 | -68 | 0 | 0 | 0 | 113 | |||||
| 406 | F | 30.3 | Very low | 29.8 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | cis | -146.5 | 164 | 0.8 | -123.8 | -137.6 | 0 | 0 | 0 | 107.4 | ||||
| 407 | D | 30.8 | Very low | 30.8 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | cis | 99.5 | 83.8 | 10.6 | -139 | 32.4 | 0 | 0 | 0 | 117.1 | ||||
| 408 | D | 30.8 | Very low | 30.7 | Very low | 142 Ų | 142 | 126.1 Ų | 126.1 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -165.9 | 137.9 | 155.5 | -108.7 | -20.5 | 0 | 0 | 0 | 109.2 | ||||
| 409 | S | 31.5 | Very low | 30.7 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | 70.7 | 145 | 59.7 | -42.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 410 | D | 33.8 | Very low | 30.4 | Very low | 153 Ų | 153 | 126 Ų | 126 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | cis | -155.2 | -155.4 | -45.2 | -137 | -24.8 | 0 | 0 | 0 | 106.4 | ||||
| 411 | D | 33.1 | Very low | 30.3 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 59% | 0.594 | 72% | 0.716 | S | S | * | * | cis | -157.7 | 176.9 | 7.2 | -156.8 | -8.7 | 0 | 0 | 0 | 110 | ||||
| 412 | Y | 30.8 | Very low | 29.8 | Very low | 182 Ų | 182 | 134 Ų | 134 | 71% | 0.714 | 72% | 0.72 | S | S | * | * | trans | 70.8 | 118.6 | 154.2 | -84.9 | -160.6 | 0 | 0 | 0 | 119.6 | ||||
| 413 | I | 29.3 | Very low | 30.6 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 65% | 0.651 | 72% | 0.717 | S | S | * | * | 97.4 | 113.8 | 70 | -83.8 | -179.1 | 0 | 0 | 0 | 112.9 | |||||
| 414 | S | 25 | Very low | 31.2 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | 54.8 | 162.1 | 154.2 | -52 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 415 | S | 27.3 | Very low | 31 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | cis | -146.2 | 159.9 | 8.9 | -41.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 416 | S | 24.5 | Very low | 30.8 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | trans | -76.8 | 176.8 | 151.8 | -135.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 417 | P | 45.7 | Very low | 30.5 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 69% | 0.688 | 72% | 0.717 | S | S | * | * | cis | -142.5 | -156.6 | 8.9 | 27.8 | 0.4 | 0 | 0 | 0 | 114.7 | ||||
| 418 | V | 26.9 | Very low | 30.5 | Very low | 126 Ų | 126 | 131 Ų | 131 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | trans | 87.6 | 108.7 | 156.5 | -171.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 419 | A | 28.2 | Very low | 30.4 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | 39.2 | 150.8 | 120.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 420 | E | 24.7 | Very low | 30.4 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 66% | 0.659 | 73% | 0.73 | S | S | * | * | cis | -166.4 | 173.2 | 1.1 | -135.9 | -170.5 | 145.7 | 0 | 0 | 110.8 | ||||
| 421 | K | 26.7 | Very low | 30.2 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | trans | 59 | 93.8 | 149.8 | -70 | 162.4 | 173.6 | 136 | 0 | 120.7 | ||||
| 422 | Y | 24.8 | Very low | 30.3 | Very low | 223 Ų | 223 | 134.3 Ų | 134.3 | 88% | 0.875 | 74% | 0.739 | S | S | * | * | 77.4 | 166.5 | 119.4 | -74.6 | -50.6 | 0 | 0 | 0 | 121.5 | |||||
| 423 | P | 44.7 | Very low | 30.6 | Very low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -124.7 | -141.2 | -148 | 46.5 | -29.3 | 0 | 0 | 0 | 111.2 | ||||
| 424 | P | 45.8 | Very low | 30.9 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 58% | 0.584 | 74% | 0.742 | S | S | * | * | cis | -134.6 | -166.3 | -19.6 | 37.2 | -16.7 | 0 | 0 | 0 | 114.6 | ||||
| 425 | K | 25.7 | Very low | 31.3 | Very low | 192 Ų | 192 | 133.3 Ų | 133.3 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | 75 | 151.5 | 160.3 | -66.1 | 163.1 | -172.3 | 172.2 | 0 | 116.1 | ||||
| 426 | S | 26.4 | Very low | 31.6 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | cis | -168.7 | 135.5 | -11.6 | 47.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 427 | S | 24.8 | Very low | 32.1 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | trans | 70.1 | 147.7 | 135.1 | 81.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 428 | K | 29.9 | Very low | 31.3 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | trans | 74 | 154.8 | 162.4 | -56.1 | 167.4 | -177.6 | 173.5 | 0 | 114.9 | ||||
| 429 | V | 28.2 | Very low | 31.5 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | cis | -128.7 | 165 | 14.3 | 178.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 430 | S | 33.3 | Very low | 31.7 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | -84.9 | 160.9 | -175.9 | 59.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 431 | S | 29.2 | Very low | 32.1 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -169.3 | 163.5 | 132 | 64.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 432 | R | 35.4 | Very low | 32.3 | Very low | 217 Ų | 217 | 146.5 Ų | 146.5 | 82% | 0.819 | 75% | 0.745 | S | S | * | * | cis | -167.1 | 142.4 | -27.3 | -107.2 | -179.4 | 175.2 | -170.5 | -0.5 | 106.8 | ||||
| 433 | L | 36.7 | Very low | 33 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | trans | 53 | 138.5 | 145.1 | -63.5 | 168 | 0 | 0 | 0 | 120 | ||||
| 434 | S | 34.6 | Very low | 32.6 | Very low | 88 Ų | 88 | 145.2 Ų | 145.2 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | cis | -157.6 | -155.5 | 4.5 | 50.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 435 | Q | 34.9 | Very low | 31.7 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | cis | -163.2 | -168.5 | 11.9 | -143.7 | 175.2 | 101.6 | 0 | 0 | 110.7 | ||||
| 436 | H | 33.7 | Very low | 31.9 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | trans | 49.6 | 92.5 | 164.5 | -80.9 | 62.4 | 0 | 0 | 0 | 117.2 | ||||
| 437 | L | 34.8 | Very low | 32.3 | Very low | 136 Ų | 136 | 149.4 Ų | 149.4 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | 78.8 | 128.7 | 73.2 | -70.5 | 156.1 | 0 | 0 | 0 | 114.6 | |||||
| 438 | H | 28.3 | Very low | 32.6 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | cis | -173.8 | 157.2 | -26.1 | -134.9 | -77.4 | 0 | 0 | 0 | 112.5 | ||||
| 439 | R | 30.8 | Very low | 32.6 | Very low | 211 Ų | 211 | 153.9 Ų | 153.9 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | 74.3 | 145.1 | 158.1 | -60.9 | -169.2 | 174.4 | -174.8 | -3.1 | 119 | ||||
| 440 | L | 33.3 | Very low | 32.7 | Very low | 131 Ų | 131 | 153.6 Ų | 153.6 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | cis | -155.3 | 154.8 | -14.3 | -100.8 | 167.9 | 0 | 0 | 0 | 111.5 | ||||
| 441 | F | 32.5 | Very low | 32.5 | Very low | 177 Ų | 177 | 154.3 Ų | 154.3 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -29.4 | 143.6 | 174 | -54.1 | -69.3 | 0 | 0 | 0 | 119.2 | ||||
| 442 | I | 29.7 | Very low | 32.7 | Very low | 158 Ų | 158 | 160.8 Ų | 160.8 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | -171.9 | 158 | 69.2 | -111.9 | 128.6 | 0 | 0 | 0 | 111 | |||||
| 443 | K | 40.2 | Very low | 32.4 | Very low | 202 Ų | 202 | 154.8 Ų | 154.8 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | trans | -71.7 | 139.6 | 176.5 | -67 | -178.4 | 178 | -179.9 | 0 | 113.6 | ||||
| 444 | P | 37.7 | Very low | 31.9 | Very low | 103 Ų | 103 | 157 Ų | 157 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | -147.2 | 148.5 | 135.1 | 36.5 | -20.4 | 0 | 0 | 0 | 117.2 | ||||
| 445 | K | 26.2 | Very low | 31.8 | Very low | 204 Ų | 204 | 158.4 Ų | 158.4 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | 64.7 | 142.8 | 141.5 | -64.8 | 168.1 | -175.6 | 173.3 | 0 | 122 | ||||
| 446 | N | 30.4 | Very low | 31.8 | Very low | 130 Ų | 130 | 159.6 Ų | 159.6 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 165.3 | 166.3 | -55.4 | -23.2 | 0 | 0 | 0 | 114.6 | ||
| 447 | P | 33.8 | Very low | 31.5 | Very low | 133 Ų | 133 | 155.9 Ų | 155.9 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | -93.7 | 124.7 | 122.3 | 31.9 | -29.9 | 0 | 0 | 0 | 111.1 | |||
| 448 | R | 30.9 | Very low | 31.3 | Very low | 212 Ų | 212 | 157.2 Ų | 157.2 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 162.4 | 157.8 | -71.4 | 174.5 | 170.7 | 162.7 | -5.1 | 108 | ||
| 449 | M | 29.5 | Very low | 31.5 | Very low | 170 Ų | 170 | 154.5 Ų | 154.5 | 84% | 0.837 | 80% | 0.798 | S | S | * | * | trans | 141 | 145 | 132.6 | -79 | -167.7 | 167.9 | 0 | 0 | 112.4 | ||||
| 450 | L | 30.2 | Very low | 31.4 | Very low | 133 Ų | 133 | 153 Ų | 153 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | cis | -168.2 | 141.6 | -25.8 | -123.4 | 179.3 | 0 | 0 | 0 | 107.9 | ||||
| 451 | S | 29.6 | Very low | 31.4 | Very low | 122 Ų | 122 | 152.2 Ų | 152.2 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | 169.4 | 85.9 | 137.1 | 41.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 452 | R | 34.5 | Very low | 31.3 | Very low | 247 Ų | 247 | 152.3 Ų | 152.3 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -136.3 | 118.5 | 154.6 | -178.7 | 174.5 | 172.9 | 173.8 | -2.7 | 109.4 | ||||
| 453 | A | 27.6 | Very low | 31.2 | Very low | 91 Ų | 91 | 150.9 Ų | 150.9 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -157.9 | 152.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 454 | K | 27.1 | Very low | 30.7 | Very low | 204 Ų | 204 | 148.2 Ų | 148.2 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | cis | -135.1 | 156.7 | 8.3 | -62.9 | 169.7 | -178.9 | 177.2 | 0 | 110 | ||||
| 455 | S | 32.1 | Very low | 30.2 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -156.6 | 117.9 | 149.7 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 456 | L | 34.5 | Very low | 30.3 | Very low | 177 Ų | 177 | 147 Ų | 147 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | trans | -159.5 | 139.4 | 173.6 | -69.5 | 178.1 | 0 | 0 | 0 | 106.1 | ||||
| 457 | G | 28.7 | Very low | 30.2 | Very low | 64 Ų | 64 | 146.7 Ų | 146.7 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | cis | 169.4 | 172.5 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 458 | N | 30.8 | Very low | 29.9 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | 68.3 | 158.5 | 168.9 | -64.9 | 14 | 0 | 0 | 0 | 117 | ||||
| 459 | S | 30.7 | Very low | 29.7 | Very low | 95 Ų | 95 | 146 Ų | 146 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | cis | -141.3 | 142.7 | 12.5 | 54.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 460 | E | 30.4 | Very low | 29.6 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | 51.3 | 127.4 | 142.6 | -60.8 | 174.1 | -159.8 | 0 | 0 | 119.9 | ||||
| 461 | S | 31.5 | Very low | 29.5 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | -170.5 | 141.7 | 62.9 | 37.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 462 | K | 30.8 | Very low | 29.5 | Very low | 179 Ų | 179 | 148.4 Ų | 148.4 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | trans | 43.3 | 118.1 | 142.3 | -72.3 | -172 | 170.8 | -172.1 | 0 | 124.6 | ||||
| 463 | D | 27.9 | Very low | 29.4 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | 93.9 | 129.6 | 117.1 | -65.5 | -21.4 | 0 | 0 | 0 | 124.2 | |||||
| 464 | I | 30.7 | Very low | 29.5 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | 74.5 | 94.2 | 146.3 | -61.4 | 162.2 | 0 | 0 | 0 | 120.4 | ||||
| 465 | L | 27 | Very low | 29.9 | Very low | 159 Ų | 159 | 144 Ų | 144 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | 32.5 | 153.2 | 118.5 | -65.8 | 166.9 | 0 | 0 | 0 | 123.6 | |||||
| 466 | V | 27.3 | Very low | 30 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | trans | 102.8 | 92.6 | 153 | -166.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 467 | V | 28.3 | Very low | 30 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | 41.9 | 131.1 | 120.7 | -174.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 468 | R | 27.2 | Very low | 30.1 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | 97.7 | 123.3 | 147.8 | -99 | 176.7 | 147.9 | 127.9 | 5.6 | 122.5 | ||||
| 469 | E | 27.2 | Very low | 30 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 62% | 0.621 | 79% | 0.787 | S | S | * | * | trans | 79 | 129.5 | 131.3 | -83.8 | 158.2 | -164.5 | 0 | 0 | 124.5 | ||||
| 470 | T | 28.1 | Very low | 29.8 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 73.2 | 120.1 | 146.8 | 52.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 471 | R | 28 | Very low | 29.8 | Very low | 236 Ų | 236 | 151.5 Ų | 151.5 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | 47.3 | 122.4 | 136.9 | -62.6 | -179.6 | 173.5 | -175 | -2.3 | 119.9 | ||||
| 472 | S | 29.6 | Very low | 29.6 | Very low | 119 Ų | 119 | 155.7 Ų | 155.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | 164.6 | 178.3 | 100.7 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 473 | N | 31.1 | Very low | 29.5 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -86.5 | 145.1 | -168.2 | -54.3 | -35.7 | 0 | 0 | 0 | 113.6 | ||||
| 474 | S | 30 | Very low | 29.4 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -176 | 150.9 | 133.1 | 35.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 475 | L | 37 | Very low | 29.3 | Very low | 172 Ų | 172 | 153.5 Ų | 153.5 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 138.4 | 168.6 | -78.9 | 160.7 | 0 | 0 | 0 | 110 | ||
| 476 | P | 33.4 | Very low | 29.3 | Very low | 126 Ų | 126 | 151 Ų | 151 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 127.3 | 157.7 | 32.9 | -27.4 | 0 | 0 | 0 | 110.7 | ||
| 477 | Q | 33.8 | Very low | 29.8 | Very low | 173 Ų | 173 | 153.7 Ų | 153.7 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 162.5 | 175.1 | -159 | -175.2 | 21.7 | 0 | 0 | 110.3 | ||
| 478 | Q | 31.4 | Very low | 29.9 | Very low | 159 Ų | 159 | 153.7 Ų | 153.7 | 74% | 0.743 | 82% | 0.823 | S | S | * | * | trans | 73.1 | 112.8 | 167.5 | -47.1 | -179.1 | 10 | 0 | 0 | 118.2 | ||||
| 479 | V | 27.9 | Very low | 29.9 | Very low | 151 Ų | 151 | 155.8 Ų | 155.8 | 92% | 0.915 | 83% | 0.831 | S | S | * | * | trans | -127.9 | 149.2 | 141.9 | 179 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 480 | K | 27.9 | Very low | 30.1 | Very low | 173 Ų | 173 | 157 Ų | 157 | 75% | 0.752 | 84% | 0.841 | S | S | * | * | trans | -88 | 154.7 | -158.7 | -65 | 172.9 | 179.8 | 175.1 | 0 | 114.2 | ||||
| 481 | L | 30.4 | Very low | 30.6 | Very low | 173 Ų | 173 | 159.9 Ų | 159.9 | 91% | 0.906 | 85% | 0.846 | S | S | * | * | trans | -55.7 | 135 | 161 | -73.3 | 159.5 | 0 | 0 | 0 | 110.9 | ||||
| 482 | F | 27.1 | Very low | 30.6 | Very low | 202 Ų | 202 | 154.2 Ų | 154.2 | 89% | 0.886 | 84% | 0.843 | S | S | * | * | trans | -139.3 | 129.6 | 152.3 | -87.1 | -74.8 | 0 | 0 | 0 | 109 | ||||
| 483 | S | 28.6 | Very low | 30.9 | Very low | 117 Ų | 117 | 158 Ų | 158 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | trans | -116.5 | 132.3 | 178.8 | 52.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 484 | S | 26.4 | Very low | 31 | Very low | 119 Ų | 119 | 154.7 Ų | 154.7 | 83% | 0.832 | 84% | 0.842 | S | S | * | * | trans | -151 | 137.6 | 162.2 | 50.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 485 | D | 27.8 | Very low | 31.5 | Very low | 170 Ų | 170 | 156.4 Ų | 156.4 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | trans | -74.5 | 140.9 | -173.3 | -72.3 | -72 | 0 | 0 | 0 | 113.7 | ||||
| 486 | S | 26 | Very low | 31.7 | Very low | 108 Ų | 108 | 157.1 Ų | 157.1 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | -150.6 | 133.1 | 146.2 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | P488 | S486-P488 WeakPolarHBondContact O-CD 3.32Š| ||
| 487 | L | 38.2 | Very low | 32.5 | Very low | 178 Ų | 178 | 157.7 Ų | 157.7 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | trans | -64 | 120.1 | -172.4 | -81.8 | 151.4 | 0 | 0 | 0 | 112.5 | R489 | L487-R489 PolarHBondContact O-N 2.94Š| ||
| 488 | P | 31.7 | Very low | 33.6 | Very low | 123 Ų | 123 | 153.7 Ų | 153.7 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -76.4 | 111.7 | 173.1 | -10.3 | 26.9 | 0 | 0 | 0 | 110.8 | S486 | S486-P488 WeakPolarHBondContact O-CD 3.32Š| ||
| 489 | R | 26.1 | Very low | 34.9 | Very low | 240 Ų | 240 | 148.2 Ų | 148.2 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | -51.1 | 141.5 | 164.8 | -174.3 | 179 | -174.9 | 172 | 1 | 110.6 | L487 | L487-R489 PolarHBondContact O-N 2.94Š| ||
| 490 | L | 32.8 | Very low | 36.7 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -56.2 | 156.1 | -179.4 | -124.6 | 76.6 | 0 | 0 | 0 | 112.9 | ||
| 491 | Q | 37.6 | Very low | 38.8 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | 74.3 | 74.5 | 176 | -57.2 | -177.5 | -4.3 | 0 | 0 | 116.6 | ||||
| 492 | S | 28 | Very low | 40.9 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -137.8 | 123.1 | 134.6 | -77.3 | 0 | 0 | 0 | 0 | 108.5 | A494 | S492-A494 VanDerWaalsContact C-N 3.28Å; S492-A494 PolarHBondContact O-N 2.98Å | ||
| 493 | Q | 35 | Very low | 43.1 | Very low | 199 Ų | 199 | 130.7 Ų | 130.7 | 93% | 0.93 | 68% | 0.682 | S | S | * | * | trans | -73.9 | 86.5 | 173.8 | -76.5 | -179.1 | -22.6 | 0 | 0 | 108.6 | L495 | Q493-L495 PolarHBondContact O-N 2.86Š| ||
| 494 | A | 34.5 | Very low | 45.5 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | trans | -53.3 | 128.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | S492 R496 | S492-A494 VanDerWaalsContact C-N 3.28Å; S492-A494 PolarHBondContact O-N 2.98Å; A494-R496 PolarHBondContact O-N 3.19Å | ||
| 495 | L | 39.8 | Very low | 47.6 | Very low | 156 Ų | 156 | 122.1 Ų | 122.1 | 82% | 0.817 | 62% | 0.619 | S | S | * | * | trans | -63.4 | 98.2 | -175.9 | -71.5 | 166.3 | 0 | 0 | 0 | 109.4 | Q493 H497 | Q493-L495 PolarHBondContact O-N 2.86Å; L495-H497 PolarHBondContact O-N 3.19Å | ||
| 496 | R | 42.2 | Very low | 49.7 | Very low | 187 Ų | 187 | 115.5 Ų | 115.5 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | trans | -58.9 | 122.4 | 165.4 | -67.9 | -173.6 | -179.5 | -175.1 | -0.6 | 106.9 | A494 I498 | A494-R496 PolarHBondContact O-N 3.19Å; R496-I498 PolarHBondContact O-N 3.31Å | ||
| 497 | H | 50.2 | Low | 51.2 | Low | 138 Ų | 138 | 114.2 Ų | 114.2 | 64% | 0.639 | 58% | 0.575 | S | S | * | * | trans | -67.5 | 101 | 173.3 | -79.7 | -107.4 | 0 | 0 | 0 | 107.9 | L495 C499 P861 T862 | L495-H497 PolarHBondContact O-N 3.19Å; H497-C499 PolarHBondContact O-N 3.23Å; H497-P861 WeakPolarHBondContact O-CA 3.39Å; H497-P861 WeakPolarHBondContact O-CB 3.48Å; H497-T862 PolarHBondContact O-N 2.71Å | ||
| 498 | I | 55.3 | Low | 51.9 | Low | 90 Ų | 90 | 107.2 Ų | 107.2 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 119.3 | 174.2 | -61.6 | 171.9 | 0 | 0 | 0 | 107.6 | R496 F500 T862 C864 | R496-I498 PolarHBondContact O-N 3.31Å; I498-F500 HydrophobicContact CB-CE2 4.43Å; I498-F500 HydrophobicContact CB-CZ 4.39Å; I498-F500 HydrophobicContact CG2-CD1 4.26Å; I498-F500 HydrophobicContact CG2-CD2 4.36Å; I498-F500 HydrophobicContact CG2-CE1 3.75Å; I498-F500 HydrophobicContact CG2-CE2 3.88Å; I498-F500 HydrophobicContact CG2-CZ 3.55Å; I498-T862 VanDerWaalsContact CA-O 3.28Å; I498-T862 WeakPolarHBondContact CA-O 3.36Å; I498-C864 HydrophobicContact CG2-CB 4.1Å |
| 499 | C | 58.8 | Low | 52.8 | Low | 43 Ų | 43 | 107.7 Ų | 107.7 | 29% | 0.291 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 102.3 | 179.7 | -71.4 | 0 | 0 | 0 | 0 | 109.4 | H497 T862 F863 C864 | H497-C499 PolarHBondContact O-N 3.23Å; C499-T862 PolarHBondContact N-O 2.78Å; C499-T862 VanDerWaalsContact N-O 3.14Å; C499-F863 HydrophobicContact CB-CD1 3.4Å; C499-F863 HydrophobicContact CB-CE1 3.44Å; C499-F863 VanDerWaalsContact CB-CE1 3.44Å; C499-F863 HydrophobicContact CB-CG 4.25Å; C499-F863 HydrophobicContact CB-CZ 4.32Å; C499-F863 CarbonylContact O-C 3.6Å; C499-F863 VanDerWaalsContact O-CA 3.27Å; C499-F863 WeakPolarHBondContact O-CA 3.46Å; C499-F863 WeakPolarHBondContact O-CD1 3.19Å; C499-C864 PolarHBondContact O-N 2.97Å |
| 500 | F | 66.4 | Low | 53.9 | Low | 77 Ų | 77 | 101.5 Ų | 101.5 | 34% | 0.338 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 133.8 | 176.6 | -62.5 | -73.6 | 0 | 0 | 0 | 111 | I498 M767 Y837 C864 L866 | I498-F500 HydrophobicContact CB-CE2 4.43Å; I498-F500 HydrophobicContact CB-CZ 4.39Å; I498-F500 HydrophobicContact CG2-CD1 4.26Å; I498-F500 HydrophobicContact CG2-CD2 4.36Å; I498-F500 HydrophobicContact CG2-CE1 3.75Å; I498-F500 HydrophobicContact CG2-CE2 3.88Å; I498-F500 HydrophobicContact CG2-CZ 3.55Å; F500-M767 HydrophobicContact CE1-SD 3.98Å; F500-M767 HydrophobicContact CE2-SD 4Å; F500-M767 HydrophobicContact CZ-SD 3.6Å; F500-M767 VanDerWaalsContact CZ-SD 3.6Å; F500-Y837 HydrophobicContact CE1-CE1 4.33Å; F500-C864 WeakPolarHBondContact CA-O 3.37Å; F500-C864 HydrophobicContact CD1-CB 3.54Å; F500-C864 HydrophobicContact CE1-CB 3.72Å; F500-L866 HydrophobicContact CB-CD1 3.83Å; F500-L866 HydrophobicContact CB-CG 4.32Å; F500-L866 HydrophobicContact CD1-CD1 4.07Å; F500-L866 HydrophobicContact CD1-CD2 4.25Å; F500-L866 HydrophobicContact CD1-CG 4.02Å; F500-L866 HydrophobicContact CG-CD1 4.19Å |
| 501 | R | 71.6 | Confident | 54.7 | Low | 115 Ų | 115 | 100 Ų | 100 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 111.2 | 171.3 | -179.5 | 176.6 | 176.1 | -163.6 | -1.8 | 109.1 | R503 C864 S865 L866 | R501-R503 HydrophobicContact CG-CG 4.19Å; R501-C864 PolarHBondContact N-O 2.7Å; R501-S865 CarbonylContact O-C 3.58Å; R501-S865 WeakPolarHBondContact O-CA 3.45Å; R501-L866 PolarHBondContact O-N 3.35Å |
| 502 | R | 74.6 | Confident | 55.5 | Low | 96 Ų | 96 | 99.1 Ų | 99.1 | 36% | 0.362 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 138.1 | 168.8 | -62.5 | -172.7 | -168.3 | -139 | 4.5 | 109.7 | L668 E768 L866 | R502-L668 HydrophobicContact CB-CB 4.15Å; R502-L668 HydrophobicContact CB-CD1 3.75Å; R502-L668 PolarHBondContact NH1-O 3.23Å; R502-E768 IonicContact CZ-OE1 3Å; R502-E768 IonicContact NH1-OE1 2.43Å; R502-E768 PolarHBondContact NH1-OE1 2.8Å; R502-E768 IonicContact NH1-OE2 2.76Å; R502-E768 VanDerWaalsContact NH2-CD 3.3Å; R502-E768 IonicContact NH2-OE1 2.71Å; R502-E768 PolarHBondContact NH2-OE1 2.87Å; R502-L866 HydrophobicContact CG-CD1 4.4Å |
| 503 | R | 73.9 | Confident | 57.2 | Low | 44 Ų | 44 | 96.5 Ų | 96.5 | 17% | 0.166 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.1 | 170.3 | -52.9 | -167.4 | -154.5 | -173.2 | 16.5 | 110.3 | R501 D844 S865 L866 C868 | R501-R503 HydrophobicContact CG-CG 4.19Å; R503-D844 IonicContact CZ-OD2 2.71Å; R503-D844 IonicContact NH1-OD2 3.58Å; R503-D844 PolarHBondContact NH1-OD2 2.84Å; R503-D844 IonicContact NH2-OD2 2.76Å; R503-D844 PolarHBondContact NH2-OD2 2.8Å; R503-S865 PolarHBondContact NH2-OG 2.92Å; R503-L866 PolarHBondContact N-O 3.36Å; R503-C868 PolarHBondContact O-N 3.1Å |
| 504 | P | 79.1 | Confident | 59.2 | Low | 42 Ų | 42 | 89.5 Ų | 89.5 | 27% | 0.273 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.5 | 145.2 | 160.2 | -27.8 | 36.7 | 0 | 0 | 0 | 112.1 | L506 L668 P870 | P504-L506 VanDerWaalsContact CB-O 3.29Å; P504-L506 WeakPolarHBondContact CB-O 3.35Å; P504-L668 HydrophobicContact CG-CD2 3.92Å; P504-P870 HydrophobicContact CB-CG 4.18Å; P504-P870 HydrophobicContact CG-CB 4.45Å |
| 505 | I | 70.1 | Confident | 61.7 | Low | 13 Ų | 13 | 85.9 Ų | 85.9 | 7% | 0.067 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -71.7 | -35.2 | 175.4 | -71.3 | 151.5 | 0 | 0 | 0 | 111.8 | Y535 R539 L671 L867 C868 | I505-Y535 HydrophobicContact CB-CD1 4.05Å; I505-Y535 HydrophobicContact CB-CE1 3.51Å; I505-Y535 HydrophobicContact CD1-CD1 3.82Å; I505-Y535 HydrophobicContact CD1-CE1 3.84Å; I505-Y535 HydrophobicContact CG1-CE1 4.13Å; I505-Y535 HydrophobicContact CG2-CE1 4.35Å; I505-Y535 PolarHBondContact N-OH 3.15Å; I505-R539 HydrophobicContact CG2-CB 3.66Å; I505-R539 VanDerWaalsContact CG2-CD 3.44Å; I505-R539 HydrophobicContact CG2-CG 3.45Å; I505-R539 VanDerWaalsContact CG2-CG 3.45Å; I505-L671 HydrophobicContact CD1-CD1 3.28Å; I505-L671 HydrophobicContact CD1-CG 3.99Å; I505-L867 HydrophobicContact CB-CD2 4.3Å; I505-L867 HydrophobicContact CD1-CB 4.23Å; I505-L867 HydrophobicContact CG1-CB 3.64Å; I505-L867 HydrophobicContact CG1-CD1 4.43Å; I505-L867 HydrophobicContact CG1-CD2 3.73Å; I505-L867 HydrophobicContact CG1-CG 4.11Å; I505-C868 WeakPolarHBondContact CD1-O 3.22Å; I505-C868 WeakPolarHBondContact CG1-O 3.45Å; I505-C868 PolarHBondContact N-O 3.34Å |
| 506 | L | 71.3 | Confident | 64.2 | Low | 31 Ų | 31 | 79.8 Ų | 79.8 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -94.8 | 99.5 | 162.1 | -58.2 | -179.9 | 0 | 0 | 0 | 107.8 | P504 Y535 L538 R539 T549 L554 | P504-L506 VanDerWaalsContact CB-O 3.29Å; P504-L506 WeakPolarHBondContact CB-O 3.35Å; L506-Y535 HydrophobicContact CB-CE2 4.12Å; L506-Y535 HydrophobicContact CD1-CD2 4.05Å; L506-Y535 HydrophobicContact CD1-CE2 3.51Å; L506-Y535 HydrophobicContact CG-CD2 4.33Å; L506-Y535 HydrophobicContact CG-CE2 3.62Å; L506-Y535 PolarHBondContact N-OH 3.1Å; L506-Y535 VanDerWaalsContact N-OH 3.12Å; L506-L538 HydrophobicContact CD1-CD2 3.8Å; L506-L538 HydrophobicContact CD1-CG 4.16Å; L506-R539 HydrophobicContact CD2-CB 3.72Å; L506-R539 HydrophobicContact CD2-CG 3.87Å; L506-T549 HydrophobicContact CD1-CG2 3.8Å; L506-T549 HydrophobicContact CD2-CG2 4.31Å; L506-L554 HydrophobicContact CD1-CD1 3.94Å |
| 507 | S | 58.7 | Low | 66.6 | Low | 81 Ų | 81 | 70.9 Ų | 70.9 | 57% | 0.566 | 36% | 0.363 | S | S | * | . | trans | -84.1 | 108.5 | 163.4 | 54.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 508 | S | 52.6 | Low | 68.8 | Low | 32 Ų | 32 | 65.1 Ų | 65.1 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | trans | -65 | 153.8 | 163.6 | -158.1 | 0 | 0 | 0 | 0 | 109.2 | K513 | S508-K513 WeakPolarHBondContact OG-CE 3.45Å; S508-K513 PolarHBondContact OG-NZ 3.37Å | ||
| 509 | D | 51 | Low | 70.8 | Confident | 133 Ų | 133 | 60.9 Ų | 60.9 | 71% | 0.711 | 31% | 0.314 | S | S | * | . | trans | -73.9 | 127.1 | 143.4 | -127.2 | -7.4 | 0 | 0 | 0 | 105.9 | ||||
| 510 | E | 49.1 | Very low | 72.6 | Confident | 109 Ų | 109 | 58.8 Ų | 58.8 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | trans | -84.1 | -19 | -165.5 | -64.3 | -82 | 100.4 | 0 | 0 | 112.2 | N512 | E510-N512 PolarHBondContact O-N 3.34Š| ||
| 511 | D | 49.4 | Very low | 74 | Confident | 128 Ų | 128 | 55.2 Ų | 55.2 | 68% | 0.684 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 0 | -149.5 | -60.4 | -14.1 | 0 | 0 | 0 | 115.5 | ||
| 512 | N | 53.3 | Low | 75.1 | Confident | 162 Ų | 162 | 50.1 Ų | 50.1 | 87% | 0.866 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.6 | 20.4 | -168.9 | -80.3 | -54.9 | 0 | 0 | 0 | 116.5 | E510 | E510-N512 PolarHBondContact O-N 3.34Š|
| 513 | K | 65.1 | Low | 75.9 | Confident | 62 Ų | 62 | 45.5 Ų | 45.5 | 27% | 0.27 | 25% | 0.249 | S | C | . | . | trans | -109.5 | 120.7 | -176 | -71.8 | 178.5 | 172.8 | 178.3 | 0 | 113.5 | S508 T549 F552 N553 | S508-K513 WeakPolarHBondContact OG-CE 3.45Å; S508-K513 PolarHBondContact OG-NZ 3.37Å; K513-T549 VanDerWaalsContact CE-O 3.25Å; K513-T549 WeakPolarHBondContact CE-O 3.31Å; K513-T549 PolarHBondContact NZ-O 3.38Å; K513-F552 PolarHBondContact NZ-O 3.4Å; K513-N553 HydrophobicContact CD-CB 4.23Å | ||
| 514 | S | 75.1 | Confident | 76.8 | Confident | 52 Ų | 52 | 43.5 Ų | 43.5 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | trans | -80 | -30.4 | 175.2 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | S162 K163 | S162-S514 VanDerWaalsContact CA-O 3.29Å; S162-S514 WeakPolarHBondContact CA-O 3.31Å; K163-S514 PolarHBondContact N-O 2.93Å; K163-S514 VanDerWaalsContact N-O 3.07Å | ||
| 515 | T | 88.2 | Confident | 77.3 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 8% | 0.08 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 123.7 | -173.5 | -54.7 | 0 | 0 | 0 | 0 | 112.8 | K163 I165 F552 N553 | K163-T515 HydrophobicContact CB-CG2 3.85Å; K163-T515 CarbonylContact O-C 3.58Å; K163-T515 WeakPolarHBondContact O-CA 3.33Å; I165-T515 HydrophobicContact CD1-CG2 4.14Å; I165-T515 HydrophobicContact CG1-CG2 4.42Å; T515-F552 HydrophobicContact CG2-CD1 3.56Å; T515-F552 HydrophobicContact CG2-CE1 3.72Å; T515-F552 WeakPolarHBondContact O-CA 3.29Å; T515-N553 PolarHBondContact O-N 3.17Å |
| 516 | T | 91.5 | Very high | 78.3 | Confident | 27 Ų | 27 | 41.4 Ų | 41.4 | 17% | 0.166 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 134.7 | 173.3 | -64.2 | 0 | 0 | 0 | 0 | 110.5 | K163 T164 I165 R518 Q555 | K163-T516 PolarHBondContact O-N 3.44Å; T164-T516 WeakPolarHBondContact CA-O 3.02Å; I165-T516 PolarHBondContact N-O 2.91Å; T516-R518 HydrophobicContact CG2-CG 4.38Å; T516-Q555 VanDerWaalsContact CG2-CD 3.44Å; T516-Q555 HydrophobicContact CG2-CG 4.08Å |
| 517 | L | 93.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 105.4 | 176.2 | -176.8 | 63.1 | 0 | 0 | 0 | 109.8 | I165 V167 L304 I307 V519 F552 N553 L554 Q555 | I165-L517 HydrophobicContact CB-CD1 3.77Å; I165-L517 HydrophobicContact CG2-CD1 3.6Å; I165-L517 WeakPolarHBondContact O-CA 3.3Å; V167-L517 HydrophobicContact CG2-CD1 3.61Å; L304-L517 HydrophobicContact CD1-CD2 4.26Å; I307-L517 HydrophobicContact CD1-CD1 3.86Å; I307-L517 HydrophobicContact CD1-CD2 4.19Å; L517-V519 HydrophobicContact CD2-CG2 4.41Å; L517-V519 HydrophobicContact CG-CG2 4.16Å; L517-F552 HydrophobicContact CB-CB 3.85Å; L517-F552 HydrophobicContact CB-CD1 4.39Å; L517-F552 HydrophobicContact CB-CD2 4.3Å; L517-F552 HydrophobicContact CB-CG 3.95Å; L517-F552 HydrophobicContact CD2-CD2 3.61Å; L517-F552 HydrophobicContact CD2-CE2 3.96Å; L517-F552 HydrophobicContact CD2-CG 4.14Å; L517-N553 PolarHBondContact N-O 3.37Å; L517-L554 HydrophobicContact CB-CD2 4.09Å; L517-L554 HydrophobicContact CD2-CD2 3.83Å; L517-L554 HydrophobicContact CG-CD2 4.38Å; L517-Q555 PolarHBondContact O-N 2.76Å |
| 518 | R | 95.7 | Very high | 81 | Confident | 18 Ų | 18 | 36.1 Ų | 36.1 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 108.2 | 175.3 | -58.5 | -171.3 | -177.4 | 137.3 | -5.9 | 109.8 | E152 T164 I165 T166 V167 T516 Q555 Y557 C660 | E152-R518 IonicContact OE1-CZ 3.79Å; E152-R518 IonicContact OE1-NH1 2.66Å; E152-R518 PolarHBondContact OE1-NH1 3.04Å; E152-R518 IonicContact OE1-NH2 2.71Å; T164-R518 HydrophobicContact CG2-CG 4.4Å; T164-R518 VanDerWaalsContact CG2-CZ 3.44Å; I165-R518 PolarHBondContact O-N 3.34Å; T166-R518 HydrophobicContact CG2-CB 4.36Å; V167-R518 PolarHBondContact N-O 3.13Å; T516-R518 HydrophobicContact CG2-CG 4.38Å; R518-Q555 CarbonylContact C-O 3.52Å; R518-Q555 WeakPolarHBondContact CA-O 3.34Å; R518-Y557 HydrophobicContact CB-CD2 4.08Å; R518-Y557 HydrophobicContact CB-CE2 3.68Å; R518-Y557 HydrophobicContact CG-CE2 3.69Å; R518-C660 PolarHBondContact NE-O 3.45Å; R518-C660 VanDerWaalsContact NE-O 3.1Å; R518-C660 PolarHBondContact NH2-O 3.21Å |
| 519 | V | 96.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 99.5 | 177.6 | -175.7 | 0 | 0 | 0 | 0 | 109 | L169 F301 L304 L517 V521 Q555 F556 Y557 | L169-V519 HydrophobicContact CD1-CG1 3.48Å; L169-V519 VanDerWaalsContact CD1-CG1 3.48Å; L169-V519 HydrophobicContact CG-CG1 3.99Å; F301-V519 HydrophobicContact CE1-CG1 4.44Å; L304-V519 HydrophobicContact CD1-CG2 3.77Å; L517-V519 HydrophobicContact CD2-CG2 4.41Å; L517-V519 HydrophobicContact CG-CG2 4.16Å; V519-V521 HydrophobicContact CG1-CG2 4.27Å; V519-Q555 PolarHBondContact N-O 2.98Å; V519-F556 HydrophobicContact CB-CD1 3.87Å; V519-F556 HydrophobicContact CB-CE1 4.09Å; V519-F556 HydrophobicContact CG1-CD1 4.03Å; V519-F556 HydrophobicContact CG1-CE1 4.15Å; V519-F556 HydrophobicContact CG2-CD1 4.49Å; V519-F556 HydrophobicContact CG2-CE1 4.26Å; V519-F556 WeakPolarHBondContact O-CA 3.42Å; V519-Y557 PolarHBondContact O-N 3.13Å |
| 520 | V | 97.3 | Very high | 85 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 125.8 | 179.6 | -167.1 | 0 | 0 | 0 | 0 | 109.5 | T166 V167 L168 L169 F522 V559 V656 C660 | T166-V520 HydrophobicContact CG2-CG2 4Å; V167-V520 WeakPolarHBondContact O-CA 3.36Å; V167-V520 WeakPolarHBondContact O-CB 3.35Å; V167-V520 PolarHBondContact O-N 2.27Å; L168-V520 HydrophobicContact CD2-CB 3.94Å; L168-V520 HydrophobicContact CD2-CG1 4.41Å; L168-V520 HydrophobicContact CD2-CG2 4.08Å; L169-V520 PolarHBondContact N-O 3.11Å; V520-F522 HydrophobicContact CB-CE2 4.41Å; V520-F522 HydrophobicContact CG1-CD2 4.41Å; V520-F522 HydrophobicContact CG1-CE2 3.75Å; V520-F522 HydrophobicContact CG1-CZ 4.17Å; V520-V559 HydrophobicContact CG1-CG2 3.79Å; V520-V656 HydrophobicContact CG1-CG1 4.45Å; V520-C660 VanDerWaalsContact CG2-SG 3.56Å |
| 521 | V | 95.9 | Very high | 87.2 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131 | -177.6 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | L169 W296 V519 V527 V531 Y557 F558 V559 | L169-V521 HydrophobicContact CB-CG2 4.33Å; L169-V521 HydrophobicContact CD1-CG2 4.47Å; W296-V521 HydrophobicContact CE3-CG1 4.24Å; W296-V521 HydrophobicContact CZ3-CG1 3.71Å; V519-V521 HydrophobicContact CG1-CG2 4.27Å; V521-V527 HydrophobicContact CG1-CG1 3.57Å; V521-V531 HydrophobicContact CB-CG2 4.13Å; V521-V531 HydrophobicContact CG1-CG2 3.76Å; V521-V531 HydrophobicContact CG2-CG2 3.85Å; V521-Y557 PolarHBondContact N-O 3.22Å; V521-F558 HydrophobicContact CB-CD2 4.48Å; V521-V559 PolarHBondContact O-N 3.3Å |
| 522 | F | 94.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 17.5 Ų | 17.5 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.8 | 179.9 | -67.3 | -102.7 | 0 | 0 | 0 | 110.6 | L168 L169 M170 V175 F179 V520 V559 V561 V656 | L168-F522 HydrophobicContact CB-CE2 4.31Å; L168-F522 HydrophobicContact CD2-CE2 4.18Å; L169-F522 PolarHBondContact O-N 2.72Å; M170-F522 HydrophobicContact CE-CB 4.26Å; M170-F522 HydrophobicContact CE-CD1 4.2Å; M170-F522 HydrophobicContact CE-CD2 3.95Å; M170-F522 HydrophobicContact CE-CE2 4.33Å; M170-F522 HydrophobicContact CE-CG 3.88Å; M170-F522 HydrophobicContact CG-CB 4.32Å; M170-F522 HydrophobicContact CG-CD2 3.67Å; M170-F522 HydrophobicContact CG-CE2 4.34Å; M170-F522 HydrophobicContact CG-CG 4.24Å; M170-F522 HydrophobicContact SD-CD2 4.02Å; M170-F522 HydrophobicContact SD-CE2 4.22Å; V175-F522 HydrophobicContact CG1-CB 4.49Å; V175-F522 HydrophobicContact CG2-CB 3.88Å; F179-F522 HydrophobicContact CD1-CD1 4.18Å; F179-F522 HydrophobicContact CD1-CE1 4.45Å; V520-F522 HydrophobicContact CB-CE2 4.41Å; V520-F522 HydrophobicContact CG1-CD2 4.41Å; V520-F522 HydrophobicContact CG1-CE2 3.75Å; V520-F522 HydrophobicContact CG1-CZ 4.17Å; F522-V559 WeakPolarHBondContact CA-O 3.3Å; F522-V559 HydrophobicContact CD1-CB 3.66Å; F522-V559 HydrophobicContact CD1-CG1 3.69Å; F522-V559 HydrophobicContact CD1-CG2 4.37Å; F522-V559 HydrophobicContact CE1-CB 3.77Å; F522-V559 HydrophobicContact CE1-CG1 3.65Å; F522-V559 HydrophobicContact CE1-CG2 4.04Å; F522-V559 HydrophobicContact CG-CB 4.21Å; F522-V559 HydrophobicContact CZ-CB 4.38Å; F522-V559 HydrophobicContact CZ-CG2 4.21Å; F522-V561 HydrophobicContact CB-CG2 4.11Å; F522-V561 HydrophobicContact CD1-CG2 4.25Å; F522-V656 HydrophobicContact CE1-CG2 4.04Å; F522-V656 HydrophobicContact CZ-CG1 4.19Å; F522-V656 HydrophobicContact CZ-CG2 4.02Å |
| 523 | G | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.7 | -161.6 | 176 | 0 | 0 | 0 | 0 | 0 | 116.1 | V559 P560 V561 | G523-V559 PolarHBondContact N-O 2.76Å; G523-V559 VanDerWaalsContact N-O 3.13Å; G523-P560 CarbonylContact O-C 3.53Å; G523-P560 WeakPolarHBondContact O-CA 3.27Å; G523-V561 PolarHBondContact O-N 3.26Å |
| 524 | A | 91.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 1% | 0.008 | 4% | 0.042 | C | C | . | . | trans | -116.2 | -171.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | H526 V527 A528 S599 T600 | A524-H526 VanDerWaalsContact C-N 3.26Å; A524-H526 PolarHBondContact O-N 2.73Å; A524-H526 VanDerWaalsContact O-N 3.1Å; A524-V527 WeakPolarHBondContact O-CA 3.44Å; A524-V527 WeakPolarHBondContact O-CB 3.38Å; A524-V527 PolarHBondContact O-N 2.9Å; A524-A528 PolarHBondContact O-N 3.4Å; A524-S599 WeakPolarHBondContact CB-OG 3.43Å; A524-T600 WeakPolarHBondContact CB-O 3.28Å | ||
| 525 | D | 90.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -58.1 | -32 | -169.4 | -65.9 | -26.1 | 0 | 0 | 0 | 114.6 | V527 A528 G529 T600 N601 D602 I603 H690 | D525-V527 VanDerWaalsContact C-N 3.26Å; D525-V527 PolarHBondContact O-N 3.15Å; D525-A528 WeakPolarHBondContact O-CB 3.45Å; D525-A528 PolarHBondContact O-N 3.28Å; D525-G529 PolarHBondContact O-N 2.69Å; D525-T600 WeakPolarHBondContact CB-O 3.14Å; D525-T600 VanDerWaalsContact CG-C 3.42Å; D525-T600 PolarHBondContact N-O 3.06Å; D525-T600 VanDerWaalsContact OD2-CB 3.22Å; D525-T600 WeakPolarHBondContact OD2-CB 3.49Å; D525-T600 VanDerWaalsContact OD2-O 3.06Å; D525-T600 PolarHBondContact OD2-OG1 2.85Å; D525-N601 VanDerWaalsContact OD1-C 3.23Å; D525-N601 WeakPolarHBondContact OD1-CA 3.31Å; D525-N601 PolarHBondContact OD2-N 3.18Å; D525-D602 VanDerWaalsContact CG-N 3.32Å; D525-D602 PolarHBondContact OD1-N 3.22Å; D525-D602 VanDerWaalsContact OD1-N 3.09Å; D525-D602 PolarHBondContact OD2-N 3.31Å; D525-I603 WeakPolarHBondContact OD1-CB 3.37Å; D525-I603 PolarHBondContact OD1-N 3.19Å; D525-H690 HydrophobicContact CB-CB 4.48Å; D525-H690 IonicContact OD2-CD2 2.67Å; D525-H690 PolarHBondContact OD2-CD2 2.84Å; D525-H690 IonicContact OD2-NE2 2.69Å; D525-H690 PolarHBondContact OD2-NE2 3.39Å |
| 526 | H | 90.8 | Very high | 93.4 | Very high | 11 Ų | 11 | 5.1 Ų | 5.1 | 5% | 0.051 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.8 | -35.3 | 173.6 | 63.4 | -78.2 | 0 | 0 | 0 | 112.8 | A524 G529 K530 R563 S599 D818 D820 | A524-H526 VanDerWaalsContact C-N 3.26Å; A524-H526 PolarHBondContact O-N 2.73Å; A524-H526 VanDerWaalsContact O-N 3.1Å; H526-G529 PolarHBondContact O-N 3.42Å; H526-K530 PolarHBondContact O-N 3.13Å; H526-R563 PolarHBondContact NE2-NH1 3.39Å; H526-S599 VanDerWaalsContact ND1-CB 3.33Å; H526-S599 WeakPolarHBondContact ND1-CB 3.4Å; H526-D818 WeakPolarHBondContact CA-O 3.42Å; H526-D818 WeakPolarHBondContact CB-O 3.33Å; H526-D818 PolarHBondContact N-O 3.1Å; H526-D820 HydrophobicContact CB-CB 3.89Å |
| 527 | V | 93.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.006 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -74.1 | -36.9 | 176.1 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | E174 W296 V521 A524 D525 G529 K530 V531 | E174-V527 HydrophobicContact CB-CG2 4.36Å; E174-V527 HydrophobicContact CG-CG2 4.47Å; E174-V527 WeakPolarHBondContact OE2-CG2 3.45Å; W296-V527 HydrophobicContact CZ3-CG1 3.97Å; V521-V527 HydrophobicContact CG1-CG1 3.57Å; A524-V527 WeakPolarHBondContact O-CA 3.44Å; A524-V527 WeakPolarHBondContact O-CB 3.38Å; A524-V527 PolarHBondContact O-N 2.9Å; D525-V527 VanDerWaalsContact C-N 3.26Å; D525-V527 PolarHBondContact O-N 3.15Å; V527-G529 VanDerWaalsContact C-N 3.3Å; V527-G529 PolarHBondContact O-N 2.87Å; V527-K530 WeakPolarHBondContact O-CB 3.29Å; V527-K530 PolarHBondContact O-N 3.37Å; V527-V531 WeakPolarHBondContact O-CG2 3.25Å; V527-V531 PolarHBondContact O-N 3.42Å |
| 528 | A | 92.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.008 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -62 | -38.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | A524 D525 V531 A532 F558 I603 | A524-A528 PolarHBondContact O-N 3.4Å; D525-A528 WeakPolarHBondContact O-CB 3.45Å; D525-A528 PolarHBondContact O-N 3.28Å; A528-V531 PolarHBondContact O-N 2.97Å; A528-A532 PolarHBondContact O-N 3.33Å; A528-F558 HydrophobicContact CB-CE2 4.24Å; A528-F558 HydrophobicContact CB-CZ 4.14Å; A528-I603 HydrophobicContact CB-CB 4.34Å; A528-I603 HydrophobicContact CB-CG1 4.35Å; A528-I603 HydrophobicContact CB-CG2 4.04Å |
| 529 | G | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -58.6 | -48.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D525 H526 V527 V531 A532 R533 D818 | D525-G529 PolarHBondContact O-N 2.69Å; H526-G529 PolarHBondContact O-N 3.42Å; V527-G529 VanDerWaalsContact C-N 3.3Å; V527-G529 PolarHBondContact O-N 2.87Å; G529-V531 PolarHBondContact O-N 3.37Å; G529-A532 WeakPolarHBondContact O-CB 3.46Å; G529-A532 PolarHBondContact O-N 2.86Å; G529-A532 VanDerWaalsContact O-N 3.16Å; G529-R533 WeakPolarHBondContact O-CG 3.44Å; G529-R533 PolarHBondContact O-N 2.87Å; G529-D818 WeakPolarHBondContact CA-OD2 3.36Å |
| 530 | K | 93.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 14.8 Ų | 14.8 | 2% | 0.022 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 175 | -179.2 | 171.8 | 151.1 | -167.4 | 0 | 112.8 | E174 W296 E297 H526 V527 R533 A534 | E174-K530 IonicContact OE1-NZ 3.39Å; E174-K530 PolarHBondContact OE1-NZ 2.75Å; E174-K530 IonicContact OE2-NZ 2.75Å; E174-K530 PolarHBondContact OE2-NZ 3.05Å; E174-K530 VanDerWaalsContact OE2-NZ 3.13Å; W296-K530 HydrophobicContact CH2-CB 4.33Å; W296-K530 HydrophobicContact CH2-CD 4.33Å; W296-K530 HydrophobicContact CH2-CG 3.71Å; W296-K530 HydrophobicContact CZ2-CG 4.11Å; W296-K530 HydrophobicContact CZ3-CD 4.26Å; W296-K530 HydrophobicContact CZ3-CG 4.12Å; W296-K530 VanDerWaalsContact O-CE 3.32Å; W296-K530 WeakPolarHBondContact O-CE 3.24Å; W296-K530 PolarHBondContact O-NZ 3.11Å; E297-K530 WeakPolarHBondContact O-CE 3.37Å; H526-K530 PolarHBondContact O-N 3.13Å; V527-K530 WeakPolarHBondContact O-CB 3.29Å; V527-K530 PolarHBondContact O-N 3.37Å; K530-R533 PolarHBondContact O-N 2.91Å; K530-A534 VanDerWaalsContact O-CB 3.28Å; K530-A534 WeakPolarHBondContact O-CB 3.05Å; K530-A534 PolarHBondContact O-N 3.23Å |
| 531 | V | 94.8 | Very high | 91.9 | Very high | 6 Ų | 6 | 18.7 Ų | 18.7 | 4% | 0.036 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 171.6 | 169 | 0 | 0 | 0 | 0 | 111 | W296 F301 V521 V527 A528 G529 R533 A534 Y535 L869 | W296-V531 HydrophobicContact CH2-CB 4.39Å; W296-V531 HydrophobicContact CH2-CG2 3.59Å; W296-V531 HydrophobicContact CZ3-CG2 3.94Å; F301-V531 HydrophobicContact CZ-CG1 4.33Å; V521-V531 HydrophobicContact CB-CG2 4.13Å; V521-V531 HydrophobicContact CG1-CG2 3.76Å; V521-V531 HydrophobicContact CG2-CG2 3.85Å; V527-V531 WeakPolarHBondContact O-CG2 3.25Å; V527-V531 PolarHBondContact O-N 3.42Å; A528-V531 PolarHBondContact O-N 2.97Å; G529-V531 PolarHBondContact O-N 3.37Å; V531-R533 PolarHBondContact O-N 2.97Å; V531-A534 PolarHBondContact O-N 3.48Å; V531-Y535 WeakPolarHBondContact O-CB 3.46Å; V531-Y535 PolarHBondContact O-N 2.84Å; V531-L869 HydrophobicContact CG1-CD1 3.79Å; V531-L869 HydrophobicContact CG1-CD2 3.83Å; V531-L869 HydrophobicContact CG1-CG 4.45Å |
| 532 | A | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.8 | -37.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A528 G529 S536 L671 V689 L869 | A528-A532 PolarHBondContact O-N 3.33Å; G529-A532 WeakPolarHBondContact O-CB 3.46Å; G529-A532 PolarHBondContact O-N 2.86Å; G529-A532 VanDerWaalsContact O-N 3.16Å; A532-S536 VanDerWaalsContact O-CB 3.27Å; A532-S536 WeakPolarHBondContact O-CB 3.4Å; A532-S536 PolarHBondContact O-N 2.85Å; A532-L671 HydrophobicContact CB-CD1 3.96Å; A532-L671 HydrophobicContact CB-CD2 3.72Å; A532-V689 HydrophobicContact CB-CG2 3.2Å; A532-L869 HydrophobicContact CB-CD2 4.33Å |
| 533 | R | 93.4 | Very high | 90.9 | Very high | 7 Ų | 7 | 23.3 Ų | 23.3 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.6 | -43.3 | 174.9 | -64.6 | 178 | -40.5 | -117.8 | 7.1 | 111.4 | D299 G529 K530 V531 Y535 S536 S537 V687 D820 | D299-R533 IonicContact OD1-CZ 3.65Å; D299-R533 IonicContact OD1-NE 3.44Å; D299-R533 IonicContact OD1-NH2 3.65Å; D299-R533 PolarHBondContact OD1-NH2 3.35Å; D299-R533 WeakPolarHBondContact OD2-CB 3.41Å; D299-R533 IonicContact OD2-CZ 2.66Å; D299-R533 IonicContact OD2-NE 3.48Å; D299-R533 PolarHBondContact OD2-NE 3.08Å; D299-R533 IonicContact OD2-NH2 3.99Å; D299-R533 PolarHBondContact OD2-NH2 3.38Å; G529-R533 WeakPolarHBondContact O-CG 3.44Å; G529-R533 PolarHBondContact O-N 2.87Å; K530-R533 PolarHBondContact O-N 2.91Å; V531-R533 PolarHBondContact O-N 2.97Å; R533-Y535 VanDerWaalsContact C-N 3.34Å; R533-Y535 PolarHBondContact O-N 2.94Å; R533-S536 WeakPolarHBondContact O-CB 3.38Å; R533-S536 PolarHBondContact O-N 2.85Å; R533-S537 WeakPolarHBondContact O-CB 3.32Å; R533-S537 PolarHBondContact O-N 3.41Å; R533-V687 VanDerWaalsContact CD-O 3.27Å; R533-V687 WeakPolarHBondContact CD-O 3.18Å; R533-V687 HydrophobicContact CG-CB 4.41Å; R533-V687 WeakPolarHBondContact CG-O 3.21Å; R533-D820 IonicContact CZ-OD2 3.66Å; R533-D820 IonicContact NH1-OD2 3.49Å; R533-D820 PolarHBondContact NH1-OD2 2.89Å; R533-D820 IonicContact NH2-OD2 3.18Å; R533-D820 PolarHBondContact NH2-OD2 2.91Å |
| 534 | A | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | W296 D299 F301 K530 V531 S537 L538 | W296-A534 HydrophobicContact CZ2-CB 3.89Å; D299-A534 WeakPolarHBondContact O-CA 3.46Å; F301-A534 HydrophobicContact CD1-CB 4.34Å; F301-A534 HydrophobicContact CD2-CB 3.81Å; F301-A534 HydrophobicContact CE1-CB 4.09Å; F301-A534 HydrophobicContact CE2-CB 3.54Å; F301-A534 HydrophobicContact CG-CB 4.21Å; F301-A534 HydrophobicContact CZ-CB 3.68Å; K530-A534 VanDerWaalsContact O-CB 3.28Å; K530-A534 WeakPolarHBondContact O-CB 3.05Å; K530-A534 PolarHBondContact O-N 3.23Å; V531-A534 PolarHBondContact O-N 3.48Å; A534-S537 WeakPolarHBondContact O-CB 3.45Å; A534-S537 PolarHBondContact O-N 3.38Å; A534-L538 WeakPolarHBondContact O-CB 3.33Å; A534-L538 PolarHBondContact O-N 3.1Å |
| 535 | Y | 92.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.3 | -38.6 | 176.2 | -169.2 | -125.7 | 0 | 0 | 0 | 112 | I505 L506 V531 R533 S537 L538 R539 F556 L869 P870 | I505-Y535 HydrophobicContact CB-CD1 4.05Å; I505-Y535 HydrophobicContact CB-CE1 3.51Å; I505-Y535 HydrophobicContact CD1-CD1 3.82Å; I505-Y535 HydrophobicContact CD1-CE1 3.84Å; I505-Y535 HydrophobicContact CG1-CE1 4.13Å; I505-Y535 HydrophobicContact CG2-CE1 4.35Å; I505-Y535 PolarHBondContact N-OH 3.15Å; L506-Y535 HydrophobicContact CB-CE2 4.12Å; L506-Y535 HydrophobicContact CD1-CD2 4.05Å; L506-Y535 HydrophobicContact CD1-CE2 3.51Å; L506-Y535 HydrophobicContact CG-CD2 4.33Å; L506-Y535 HydrophobicContact CG-CE2 3.62Å; L506-Y535 PolarHBondContact N-OH 3.1Å; L506-Y535 VanDerWaalsContact N-OH 3.12Å; V531-Y535 WeakPolarHBondContact O-CB 3.46Å; V531-Y535 PolarHBondContact O-N 2.84Å; R533-Y535 VanDerWaalsContact C-N 3.34Å; R533-Y535 PolarHBondContact O-N 2.94Å; Y535-S537 VanDerWaalsContact C-N 3.34Å; Y535-L538 PolarHBondContact O-N 3.15Å; Y535-R539 WeakPolarHBondContact O-CB 3.33Å; Y535-R539 PolarHBondContact O-N 2.94Å; Y535-F556 AromaticContact CD2-CE2 3.82Å; Y535-F556 HydrophobicContact CD2-CE2 3.82Å; Y535-F556 AromaticContact CD2-CZ 3.83Å; Y535-F556 HydrophobicContact CD2-CZ 3.83Å; Y535-F556 HydrophobicContact CE2-CD2 4.28Å; Y535-F556 AromaticContact CE2-CE2 3.54Å; Y535-F556 HydrophobicContact CE2-CE2 3.54Å; Y535-F556 HydrophobicContact CE2-CZ 4.01Å; Y535-L869 HydrophobicContact CD1-CB 4.47Å; Y535-L869 HydrophobicContact CD1-CD1 3.54Å; Y535-L869 HydrophobicContact CE1-CD1 4.01Å; Y535-L869 HydrophobicContact CG-CD1 3.86Å; Y535-P870 HydrophobicContact CE1-CG 4.31Å; Y535-P870 VanDerWaalsContact CZ-CD 3.44Å; Y535-P870 VanDerWaalsContact OH-CD 3.24Å; Y535-P870 WeakPolarHBondContact OH-CD 3.48Å; Y535-P870 WeakPolarHBondContact OH-CG 3.15Å |
| 536 | S | 89.8 | Confident | 89.8 | Confident | 17 Ų | 17 | 36 Ų | 36 | 12% | 0.119 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -32.9 | 171.2 | 179.8 | 0 | 0 | 0 | 0 | 113.2 | A532 R533 R540 | A532-S536 VanDerWaalsContact O-CB 3.27Å; A532-S536 WeakPolarHBondContact O-CB 3.4Å; A532-S536 PolarHBondContact O-N 2.85Å; R533-S536 WeakPolarHBondContact O-CB 3.38Å; R533-S536 PolarHBondContact O-N 2.85Å; S536-R540 PolarHBondContact O-N 2.89Å; S536-R540 PolarHBondContact O-NE 3.06Å; S536-R540 VanDerWaalsContact O-NE 3.09Å; S536-R540 PolarHBondContact OG-NH2 3.03Å |
| 537 | S | 90.6 | Very high | 89.5 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 25% | 0.245 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.4 | -50 | 173.1 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | R533 A534 Y535 R539 R540 K541 | R533-S537 WeakPolarHBondContact O-CB 3.32Å; R533-S537 PolarHBondContact O-N 3.41Å; A534-S537 WeakPolarHBondContact O-CB 3.45Å; A534-S537 PolarHBondContact O-N 3.38Å; Y535-S537 VanDerWaalsContact C-N 3.34Å; S537-R539 VanDerWaalsContact C-N 3.34Å; S537-R539 PolarHBondContact O-N 2.9Å; S537-R540 WeakPolarHBondContact O-CB 3.37Å; S537-R540 PolarHBondContact O-N 3.18Å; S537-K541 PolarHBondContact O-N 3.24Å; S537-K541 VanDerWaalsContact O-N 3.09Å |
| 538 | L | 90.7 | Very high | 89.2 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56 | -46 | 177.3 | -179.8 | 62.3 | 0 | 0 | 0 | 111.4 | F301 L506 A534 Y535 R540 K541 E542 L548 L554 | F301-L538 HydrophobicContact CB-CD2 4.42Å; F301-L538 HydrophobicContact CD2-CB 4.17Å; F301-L538 HydrophobicContact CD2-CD2 3.85Å; L506-L538 HydrophobicContact CD1-CD2 3.8Å; L506-L538 HydrophobicContact CD1-CG 4.16Å; A534-L538 WeakPolarHBondContact O-CB 3.33Å; A534-L538 PolarHBondContact O-N 3.1Å; Y535-L538 PolarHBondContact O-N 3.15Å; L538-R540 VanDerWaalsContact C-N 3.3Å; L538-R540 PolarHBondContact O-N 2.82Å; L538-K541 PolarHBondContact O-N 2.9Å; L538-E542 HydrophobicContact CD1-CG 3.52Å; L538-E542 HydrophobicContact CG-CG 3.97Å; L538-E542 WeakPolarHBondContact O-CB 3.16Å; L538-E542 VanDerWaalsContact O-CG 3.29Å; L538-E542 WeakPolarHBondContact O-CG 3.44Å; L538-E542 PolarHBondContact O-N 3.07Å; L538-L548 HydrophobicContact CD1-CD1 3.9Å; L538-L554 HydrophobicContact CD2-CD1 3.84Å |
| 539 | R | 87.2 | Confident | 88.8 | Confident | 78 Ų | 78 | 44 Ų | 44 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.9 | -38.3 | 175.5 | -172.3 | -127.4 | -163 | 169.1 | 0 | 113.6 | I505 L506 Y535 S537 S543 | I505-R539 HydrophobicContact CG2-CB 3.66Å; I505-R539 VanDerWaalsContact CG2-CD 3.44Å; I505-R539 HydrophobicContact CG2-CG 3.45Å; I505-R539 VanDerWaalsContact CG2-CG 3.45Å; L506-R539 HydrophobicContact CD2-CB 3.72Å; L506-R539 HydrophobicContact CD2-CG 3.87Å; Y535-R539 WeakPolarHBondContact O-CB 3.33Å; Y535-R539 PolarHBondContact O-N 2.94Å; S537-R539 VanDerWaalsContact C-N 3.34Å; S537-R539 PolarHBondContact O-N 2.9Å; R539-S543 VanDerWaalsContact O-CB 3.23Å; R539-S543 WeakPolarHBondContact O-CB 3.3Å; R539-S543 PolarHBondContact O-N 3.38Å; R539-S543 VanDerWaalsContact O-N 3.08Å; R539-S543 PolarHBondContact O-OG 2.88Å |
| 540 | R | 85.6 | Confident | 88.4 | Confident | 130 Ų | 130 | 54 Ų | 54 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.5 | -47.4 | 176.4 | -75.7 | 177.5 | -106.1 | -170 | -4.4 | 110.7 | S536 S537 L538 S543 | S536-R540 PolarHBondContact O-N 2.89Å; S536-R540 PolarHBondContact O-NE 3.06Å; S536-R540 VanDerWaalsContact O-NE 3.09Å; S536-R540 PolarHBondContact OG-NH2 3.03Å; S537-R540 WeakPolarHBondContact O-CB 3.37Å; S537-R540 PolarHBondContact O-N 3.18Å; L538-R540 VanDerWaalsContact C-N 3.3Å; L538-R540 PolarHBondContact O-N 2.82Å; R540-S543 PolarHBondContact O-N 2.87Å; R540-S543 PolarHBondContact O-OG 2.84Å |
| 541 | K | 87.6 | Confident | 88 | Confident | 82 Ų | 82 | 55.7 Ų | 55.7 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.6 | -51.6 | 177.5 | -66.6 | -174.1 | 175.1 | -168.6 | 0 | 112.8 | D302 S537 L538 S543 T544 C545 | D302-K541 IonicContact OD1-NZ 2.74Å; D302-K541 PolarHBondContact OD1-NZ 3.39Å; D302-K541 IonicContact OD2-NZ 2.64Å; D302-K541 PolarHBondContact OD2-NZ 2.9Å; S537-K541 PolarHBondContact O-N 3.24Å; S537-K541 VanDerWaalsContact O-N 3.09Å; L538-K541 PolarHBondContact O-N 2.9Å; K541-S543 VanDerWaalsContact C-N 3.25Å; K541-S543 PolarHBondContact O-N 3.25Å; K541-T544 PolarHBondContact O-N 3.5Å; K541-T544 PolarHBondContact O-OG1 3.43Å; K541-C545 PolarHBondContact O-N 2.8Å |
| 542 | E | 87.1 | Confident | 87.7 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.9 | -25.1 | -177.1 | -64.5 | -78.4 | 136.8 | 0 | 0 | 112.1 | L538 T544 P546 R547 L548 T549 | L538-E542 HydrophobicContact CD1-CG 3.52Å; L538-E542 HydrophobicContact CG-CG 3.97Å; L538-E542 WeakPolarHBondContact O-CB 3.16Å; L538-E542 VanDerWaalsContact O-CG 3.29Å; L538-E542 WeakPolarHBondContact O-CG 3.44Å; L538-E542 PolarHBondContact O-N 3.07Å; E542-T544 PolarHBondContact O-N 3.01Å; E542-P546 VanDerWaalsContact OE2-CA 3.27Å; E542-P546 WeakPolarHBondContact OE2-CA 3.49Å; E542-R547 VanDerWaalsContact CD-N 3.34Å; E542-R547 PolarHBondContact OE1-N 2.84Å; E542-R547 VanDerWaalsContact OE1-N 3.11Å; E542-R547 PolarHBondContact OE2-N 2.88Å; E542-L548 PolarHBondContact OE1-N 3.5Å; E542-L548 PolarHBondContact OE2-N 2.98Å; E542-T549 HydrophobicContact CB-CG2 4.24Å; E542-T549 HydrophobicContact CG-CG2 3.92Å; E542-T549 WeakPolarHBondContact OE2-CA 3.38Å; E542-T549 VanDerWaalsContact OE2-CB 3.27Å; E542-T549 WeakPolarHBondContact OE2-CB 3.24Å; E542-T549 WeakPolarHBondContact OE2-CG2 3.39Å; E542-T549 PolarHBondContact OE2-N 3.5Å; E542-T549 PolarHBondContact OE2-OG1 3.45Å |
| 543 | S | 83.1 | Confident | 87.5 | Confident | 94 Ų | 94 | 57.5 Ų | 57.5 | 66% | 0.657 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -14.1 | 171.3 | 70.9 | 0 | 0 | 0 | 0 | 114.8 | R539 R540 K541 | R539-S543 VanDerWaalsContact O-CB 3.23Å; R539-S543 WeakPolarHBondContact O-CB 3.3Å; R539-S543 PolarHBondContact O-N 3.38Å; R539-S543 VanDerWaalsContact O-N 3.08Å; R539-S543 PolarHBondContact O-OG 2.88Å; R540-S543 PolarHBondContact O-N 2.87Å; R540-S543 PolarHBondContact O-OG 2.84Å; K541-S543 VanDerWaalsContact C-N 3.25Å; K541-S543 PolarHBondContact O-N 3.25Å |
| 544 | T | 84.6 | Confident | 87.4 | Confident | 122 Ų | 122 | 58.4 Ų | 58.4 | 75% | 0.748 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -28.9 | 174.2 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | K541 E542 | K541-T544 PolarHBondContact O-N 3.5Å; K541-T544 PolarHBondContact O-OG1 3.43Å; E542-T544 PolarHBondContact O-N 3.01Å |
| 545 | C | 83.6 | Confident | 87.4 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 51% | 0.507 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -152.1 | 94.8 | 176.7 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | K541 R547 | K541-C545 PolarHBondContact O-N 2.8Å; C545-R547 PolarHBondContact O-N 2.81Å |
| 546 | P | 83.3 | Confident | 87.6 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | trans | -75.2 | 112.9 | -178.8 | 28.4 | -33.1 | 0 | 0 | 0 | 110.9 | E542 | E542-P546 VanDerWaalsContact OE2-CA 3.27Å; E542-P546 WeakPolarHBondContact OE2-CA 3.49Å | ||
| 547 | R | 84.3 | Confident | 87.9 | Confident | 145 Ų | 145 | 60 Ų | 60 | 55% | 0.547 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -116 | -63.4 | 176.8 | -58.3 | -171.5 | 79.1 | -163.3 | 3.6 | 110.3 | E542 C545 R550 A551 | E542-R547 VanDerWaalsContact CD-N 3.34Å; E542-R547 PolarHBondContact OE1-N 2.84Å; E542-R547 VanDerWaalsContact OE1-N 3.11Å; E542-R547 PolarHBondContact OE2-N 2.88Å; C545-R547 PolarHBondContact O-N 2.81Å; R547-R550 PolarHBondContact O-N 3.01Å; R547-A551 PolarHBondContact O-N 2.82Å; R547-A551 VanDerWaalsContact O-N 3.12Å |
| 548 | L | 87.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.9 | -37.4 | -179.4 | -68.8 | 168.6 | 0 | 0 | 0 | 111.7 | L304 L308 L538 E542 R550 F552 | L304-L548 HydrophobicContact CB-CD1 3.98Å; L304-L548 HydrophobicContact CB-CD2 4.06Å; L308-L548 HydrophobicContact CD1-CD2 4.11Å; L308-L548 HydrophobicContact CG-CD2 4.31Å; L538-L548 HydrophobicContact CD1-CD1 3.9Å; E542-L548 PolarHBondContact OE1-N 3.5Å; E542-L548 PolarHBondContact OE2-N 2.98Å; L548-R550 VanDerWaalsContact C-N 3.29Å; L548-R550 PolarHBondContact O-N 3.45Å; L548-F552 HydrophobicContact CD2-CD2 3.95Å; L548-F552 HydrophobicContact CD2-CE2 3.89Å; L548-F552 WeakPolarHBondContact O-CB 3.29Å; L548-F552 PolarHBondContact O-N 3.05Å |
| 549 | T | 85.6 | Confident | 88.4 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 22% | 0.221 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -81.1 | -7 | 176.4 | 66 | 0 | 0 | 0 | 0 | 113.5 | L506 K513 E542 L554 | L506-T549 HydrophobicContact CD1-CG2 3.8Å; L506-T549 HydrophobicContact CD2-CG2 4.31Å; K513-T549 VanDerWaalsContact CE-O 3.25Å; K513-T549 WeakPolarHBondContact CE-O 3.31Å; K513-T549 PolarHBondContact NZ-O 3.38Å; E542-T549 HydrophobicContact CB-CG2 4.24Å; E542-T549 HydrophobicContact CG-CG2 3.92Å; E542-T549 WeakPolarHBondContact OE2-CA 3.38Å; E542-T549 VanDerWaalsContact OE2-CB 3.27Å; E542-T549 WeakPolarHBondContact OE2-CB 3.24Å; E542-T549 WeakPolarHBondContact OE2-CG2 3.39Å; E542-T549 PolarHBondContact OE2-N 3.5Å; E542-T549 PolarHBondContact OE2-OG1 3.45Å; T549-L554 HydrophobicContact CG2-CD1 3.91Å |
| 550 | R | 84.8 | Confident | 88.7 | Confident | 209 Ų | 209 | 54.6 Ų | 54.6 | 79% | 0.789 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -82.8 | -49.7 | 165.7 | -175.5 | 174.3 | 176.2 | 174 | -2.6 | 110.5 | R547 L548 | R547-R550 PolarHBondContact O-N 3.01Å; L548-R550 VanDerWaalsContact C-N 3.29Å; L548-R550 PolarHBondContact O-N 3.45Å |
| 551 | A | 84.8 | Confident | 88.9 | Confident | 41 Ų | 41 | 48.5 Ų | 48.5 | 34% | 0.339 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.7 | -39.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | L308 R547 | L308-A551 HydrophobicContact CD2-CB 3.52Å; R547-A551 PolarHBondContact O-N 2.82Å; R547-A551 VanDerWaalsContact O-N 3.12Å |
| 552 | F | 88.1 | Confident | 88.7 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 2% | 0.022 | 26% | 0.264 | C | S | . | . | trans | -123.6 | 149.7 | -165.1 | -54.5 | -51.4 | 0 | 0 | 0 | 114.1 | I165 I307 L308 K513 T515 L517 L548 L554 | I165-F552 HydrophobicContact CD1-CE1 4.22Å; I307-F552 HydrophobicContact CB-CZ 4.49Å; I307-F552 HydrophobicContact CG2-CE2 4.48Å; I307-F552 HydrophobicContact CG2-CZ 4.01Å; L308-F552 HydrophobicContact CD2-CD2 4.37Å; L308-F552 HydrophobicContact CD2-CE2 3.49Å; L308-F552 VanDerWaalsContact CD2-CE2 3.49Å; L308-F552 HydrophobicContact CD2-CZ 3.59Å; L308-F552 HydrophobicContact CG-CE2 4.11Å; L308-F552 HydrophobicContact CG-CZ 4.39Å; K513-F552 PolarHBondContact NZ-O 3.4Å; T515-F552 HydrophobicContact CG2-CD1 3.56Å; T515-F552 HydrophobicContact CG2-CE1 3.72Å; T515-F552 WeakPolarHBondContact O-CA 3.29Å; L517-F552 HydrophobicContact CB-CB 3.85Å; L517-F552 HydrophobicContact CB-CD1 4.39Å; L517-F552 HydrophobicContact CB-CD2 4.3Å; L517-F552 HydrophobicContact CB-CG 3.95Å; L517-F552 HydrophobicContact CD2-CD2 3.61Å; L517-F552 HydrophobicContact CD2-CE2 3.96Å; L517-F552 HydrophobicContact CD2-CG 4.14Å; L548-F552 HydrophobicContact CD2-CD2 3.95Å; L548-F552 HydrophobicContact CD2-CE2 3.89Å; L548-F552 WeakPolarHBondContact O-CB 3.29Å; L548-F552 PolarHBondContact O-N 3.05Å; F552-L554 HydrophobicContact CB-CD2 3.79Å; F552-L554 HydrophobicContact CD2-CD2 4.49Å | ||
| 553 | N | 89.4 | Confident | 88 | Confident | 39 Ų | 39 | 54 Ų | 54 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 118.9 | 154.6 | -168.1 | -2.1 | 0 | 0 | 0 | 108.6 | K513 T515 L517 | K513-N553 HydrophobicContact CD-CB 4.23Å; T515-N553 PolarHBondContact O-N 3.17Å; L517-N553 PolarHBondContact N-O 3.37Å |
| 554 | L | 91.4 | Very high | 86.8 | Confident | 26 Ų | 26 | 55 Ų | 55 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 111.8 | -170.7 | -60.7 | -178.4 | 0 | 0 | 0 | 111.2 | L506 L517 L538 T549 F552 F556 | L506-L554 HydrophobicContact CD1-CD1 3.94Å; L517-L554 HydrophobicContact CB-CD2 4.09Å; L517-L554 HydrophobicContact CD2-CD2 3.83Å; L517-L554 HydrophobicContact CG-CD2 4.38Å; L538-L554 HydrophobicContact CD2-CD1 3.84Å; T549-L554 HydrophobicContact CG2-CD1 3.91Å; F552-L554 HydrophobicContact CB-CD2 3.79Å; F552-L554 HydrophobicContact CD2-CD2 4.49Å; L554-F556 HydrophobicContact CB-CE2 3.92Å; L554-F556 HydrophobicContact CB-CZ 4.24Å |
| 555 | Q | 93.8 | Very high | 85 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121 | -179.7 | -69.2 | -180 | -9.4 | 0 | 0 | 110.1 | T516 L517 R518 V519 Y557 V872 | T516-Q555 VanDerWaalsContact CG2-CD 3.44Å; T516-Q555 HydrophobicContact CG2-CG 4.08Å; L517-Q555 PolarHBondContact O-N 2.76Å; R518-Q555 CarbonylContact C-O 3.52Å; R518-Q555 WeakPolarHBondContact CA-O 3.34Å; V519-Q555 PolarHBondContact N-O 2.98Å; Q555-Y557 HydrophobicContact CB-CD2 4.45Å; Q555-Y557 HydrophobicContact CB-CE2 3.67Å; Q555-Y557 PolarHBondContact OE1-OH 2.87Å; Q555-V872 HydrophobicContact CB-CG2 4.08Å; Q555-V872 HydrophobicContact CG-CG2 4.49Å |
| 556 | F | 95.8 | Very high | 82.9 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 2% | 0.022 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.1 | -177.4 | -61.7 | -89.6 | 0 | 0 | 0 | 111 | F301 V519 Y535 L554 I871 V872 | F301-F556 HydrophobicContact CD2-CE1 4.29Å; F301-F556 HydrophobicContact CE1-CE1 4.19Å; F301-F556 AromaticContact CE2-CE1 3.64Å; F301-F556 HydrophobicContact CE2-CE1 3.64Å; F301-F556 HydrophobicContact CE2-CZ 4.14Å; F301-F556 HydrophobicContact CZ-CD1 4.18Å; F301-F556 AromaticContact CZ-CE1 3.6Å; F301-F556 HydrophobicContact CZ-CE1 3.6Å; V519-F556 HydrophobicContact CB-CD1 3.87Å; V519-F556 HydrophobicContact CB-CE1 4.09Å; V519-F556 HydrophobicContact CG1-CD1 4.03Å; V519-F556 HydrophobicContact CG1-CE1 4.15Å; V519-F556 HydrophobicContact CG2-CD1 4.49Å; V519-F556 HydrophobicContact CG2-CE1 4.26Å; V519-F556 WeakPolarHBondContact O-CA 3.42Å; Y535-F556 AromaticContact CD2-CE2 3.82Å; Y535-F556 HydrophobicContact CD2-CE2 3.82Å; Y535-F556 AromaticContact CD2-CZ 3.83Å; Y535-F556 HydrophobicContact CD2-CZ 3.83Å; Y535-F556 HydrophobicContact CE2-CD2 4.28Å; Y535-F556 AromaticContact CE2-CE2 3.54Å; Y535-F556 HydrophobicContact CE2-CE2 3.54Å; Y535-F556 HydrophobicContact CE2-CZ 4.01Å; L554-F556 HydrophobicContact CB-CE2 3.92Å; L554-F556 HydrophobicContact CB-CZ 4.24Å; F556-I871 CarbonylContact O-C 3.55Å; F556-I871 WeakPolarHBondContact O-CA 3.43Å; F556-V872 PolarHBondContact O-N 2.81Å |
| 557 | Y | 97.4 | Very high | 80.6 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 2% | 0.02 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 142.2 | 180 | -64.3 | -104.4 | 0 | 0 | 0 | 109.2 | R518 V519 V521 Q555 Y659 C660 A663 V872 | R518-Y557 HydrophobicContact CB-CD2 4.08Å; R518-Y557 HydrophobicContact CB-CE2 3.68Å; R518-Y557 HydrophobicContact CG-CE2 3.69Å; V519-Y557 PolarHBondContact O-N 3.13Å; V521-Y557 PolarHBondContact N-O 3.22Å; Q555-Y557 HydrophobicContact CB-CD2 4.45Å; Q555-Y557 HydrophobicContact CB-CE2 3.67Å; Q555-Y557 PolarHBondContact OE1-OH 2.87Å; Y557-Y659 HydrophobicContact CD1-CD1 4.43Å; Y557-Y659 HydrophobicContact CD1-CD2 4.24Å; Y557-Y659 HydrophobicContact CD1-CE1 4.05Å; Y557-Y659 AromaticContact CD1-CE2 3.81Å; Y557-Y659 HydrophobicContact CD1-CE2 3.81Å; Y557-Y659 AromaticContact CD1-CZ 3.69Å; Y557-Y659 HydrophobicContact CE1-CE2 4.47Å; Y557-Y659 HydrophobicContact CG-CE1 4.49Å; Y557-C660 PolarHBondContact OH-O 3.29Å; Y557-A663 HydrophobicContact CE1-CB 3.98Å; Y557-A663 PolarHBondContact OH-O 3.17Å; Y557-A663 VanDerWaalsContact OH-O 3.04Å; Y557-V872 HydrophobicContact CD1-CB 4.17Å; Y557-V872 HydrophobicContact CD1-CG1 4.38Å; Y557-V872 HydrophobicContact CE1-CB 3.94Å; Y557-V872 HydrophobicContact CE1-CG1 3.72Å; Y557-V872 HydrophobicContact CE2-CB 4.36Å; Y557-V872 HydrophobicContact CE2-CG2 4.46Å; Y557-V872 HydrophobicContact CG-CB 4.47Å |
| 558 | F | 96.6 | Very high | 78 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.2 | -178.4 | -171.7 | -116.7 | 0 | 0 | 0 | 110.6 | V521 A528 P560 A604 L607 Y614 Y659 I871 | V521-F558 HydrophobicContact CB-CD2 4.48Å; A528-F558 HydrophobicContact CB-CE2 4.24Å; A528-F558 HydrophobicContact CB-CZ 4.14Å; F558-P560 HydrophobicContact CE1-CB 4.47Å; F558-A604 HydrophobicContact CE1-CB 4.14Å; F558-L607 HydrophobicContact CB-CD1 4.41Å; F558-L607 HydrophobicContact CD1-CD1 4.16Å; F558-Y614 PolarHBondContact O-OH 3.11Å; F558-Y659 PolarHBondContact N-OH 2.69Å; F558-Y659 VanDerWaalsContact N-OH 3.16Å; F558-Y659 WeakPolarHBondContact O-CE1 3.33Å; F558-I871 HydrophobicContact CB-CD1 4.18Å; F558-I871 HydrophobicContact CB-CG2 3.76Å |
| 559 | V | 95.8 | Very high | 75.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 113.1 | 177.7 | -177 | 0 | 0 | 0 | 0 | 107.9 | V520 V521 F522 G523 L621 V656 Y659 | V520-V559 HydrophobicContact CG1-CG2 3.79Å; V521-V559 PolarHBondContact O-N 3.3Å; F522-V559 WeakPolarHBondContact CA-O 3.3Å; F522-V559 HydrophobicContact CD1-CB 3.66Å; F522-V559 HydrophobicContact CD1-CG1 3.69Å; F522-V559 HydrophobicContact CD1-CG2 4.37Å; F522-V559 HydrophobicContact CE1-CB 3.77Å; F522-V559 HydrophobicContact CE1-CG1 3.65Å; F522-V559 HydrophobicContact CE1-CG2 4.04Å; F522-V559 HydrophobicContact CG-CB 4.21Å; F522-V559 HydrophobicContact CZ-CB 4.38Å; F522-V559 HydrophobicContact CZ-CG2 4.21Å; G523-V559 PolarHBondContact N-O 2.76Å; G523-V559 VanDerWaalsContact N-O 3.13Å; V559-L621 HydrophobicContact CG1-CD1 4.02Å; V559-V656 HydrophobicContact CG1-CG2 4.48Å; V559-V656 HydrophobicContact CG2-CG2 4.35Å; V559-Y659 HydrophobicContact CG2-CD1 4.08Å; V559-Y659 HydrophobicContact CG2-CE1 4.1Å |
| 560 | P | 93.3 | Very high | 73 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.006 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 137.9 | -172.7 | 30.6 | -32.5 | 0 | 0 | 0 | 111.4 | G523 F558 N601 A604 L619 L622 | G523-P560 CarbonylContact O-C 3.53Å; G523-P560 WeakPolarHBondContact O-CA 3.27Å; F558-P560 HydrophobicContact CE1-CB 4.47Å; P560-N601 WeakPolarHBondContact CB-OD1 3.39Å; P560-A604 HydrophobicContact CB-CB 3.53Å; P560-A604 HydrophobicContact CG-CB 4.06Å; P560-L619 HydrophobicContact CB-CD1 4.46Å; P560-L619 HydrophobicContact CG-CD1 4.08Å; P560-L622 HydrophobicContact CB-CD1 4.11Å; P560-L622 HydrophobicContact CB-CD2 4.06Å; P560-L622 HydrophobicContact CB-CG 4.09Å; P560-L622 HydrophobicContact CG-CD1 4.44Å; P560-L622 HydrophobicContact CG-CG 4.21Å; P560-L622 WeakPolarHBondContact O-CD2 3.42Å |
| 561 | V | 90.1 | Very high | 70.3 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.018 | 38% | 0.375 | C | S | . | . | trans | -131.7 | 140.8 | -173.6 | 175 | 0 | 0 | 0 | 0 | 110.2 | V175 P176 F179 F522 G523 N601 | V175-V561 HydrophobicContact CG1-CG1 4.39Å; P176-V561 HydrophobicContact CG-CG1 4.15Å; F179-V561 HydrophobicContact CD1-CG2 4.07Å; F179-V561 HydrophobicContact CE1-CG2 4Å; F522-V561 HydrophobicContact CB-CG2 4.11Å; F522-V561 HydrophobicContact CD1-CG2 4.25Å; G523-V561 PolarHBondContact O-N 3.26Å; V561-N601 PolarHBondContact O-ND2 2.94Å | ||
| 562 | K | 82.9 | Confident | 67.8 | Low | 130 Ų | 130 | 76.6 Ų | 76.6 | 57% | 0.565 | 40% | 0.399 | S | S | * | . | trans | -77.9 | 121.1 | 165.6 | -75.5 | 179.2 | 169.6 | 162.1 | 0 | 108.9 | D564 L622 | K562-D564 PolarHBondContact O-N 2.98Å; K562-L622 WeakPolarHBondContact CE-O 3.4Å; K562-L622 HydrophobicContact CG-CD2 3.99Å; K562-L622 PolarHBondContact NZ-O 3.16Å | ||
| 563 | R | 71.4 | Confident | 64.9 | Low | 81 Ų | 81 | 81.9 Ų | 81.9 | 31% | 0.306 | 44% | 0.436 | S | S | . | . | trans | -67.8 | 118.4 | 166.2 | -173.2 | -180 | -175.8 | 86.7 | -4.3 | 107.4 | D173 H526 S565 E821 | D173-R563 PolarHBondContact O-NH1 2.76Å; H526-R563 PolarHBondContact NE2-NH1 3.39Å; R563-S565 PolarHBondContact O-N 3.43Å; R563-S565 VanDerWaalsContact O-N 3.14Å; R563-E821 IonicContact NH2-OE2 3.62Å | ||
| 564 | D | 59.2 | Low | 61.8 | Low | 114 Ų | 114 | 85.8 Ų | 85.8 | 61% | 0.61 | 46% | 0.462 | S | S | * | . | trans | -72 | 106.2 | 175.3 | -77.8 | -39.8 | 0 | 0 | 0 | 109.5 | P176 K562 G566 | P176-D564 WeakPolarHBondContact CG-OD2 3.48Å; K562-D564 PolarHBondContact O-N 2.98Å; D564-G566 PolarHBondContact O-N 3.46Å | ||
| 565 | S | 46.2 | Very low | 58.8 | Low | 82 Ų | 82 | 90.4 Ų | 90.4 | 57% | 0.573 | 49% | 0.493 | S | S | * | . | trans | -72.8 | 42.4 | 178.1 | -56.1 | 0 | 0 | 0 | 0 | 112.9 | R563 D598 | R563-S565 PolarHBondContact O-N 3.43Å; R563-S565 VanDerWaalsContact O-N 3.14Å; S565-D598 WeakPolarHBondContact CB-OD2 3.41Å; S565-D598 VanDerWaalsContact OG-CG 3.3Å; S565-D598 PolarHBondContact OG-OD2 2.86Å | ||
| 566 | G | 38.4 | Very low | 55.6 | Low | 61 Ų | 61 | 96.4 Ų | 96.4 | 63% | 0.629 | 53% | 0.526 | S | S | * | . | trans | -118.4 | 69.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114 | D564 G568 | D564-G566 PolarHBondContact O-N 3.46Å; G566-G568 PolarHBondContact O-N 2.96Å | ||
| 567 | L | 36.9 | Very low | 52.4 | Low | 183 Ų | 183 | 104.3 Ų | 104.3 | 96% | 0.958 | 57% | 0.568 | S | S | * | * | trans | -70.4 | 75 | 171.7 | -102.4 | 167.2 | 0 | 0 | 0 | 111.7 | ||||
| 568 | G | 28.9 | Very low | 49.1 | Very low | 64 Ų | 64 | 112.7 Ų | 112.7 | 66% | 0.66 | 61% | 0.607 | S | S | * | * | trans | -150 | 89.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G566 | G566-G568 PolarHBondContact O-N 2.96Š| ||
| 569 | H | 34.8 | Very low | 45.6 | Very low | 184 Ų | 184 | 119.9 Ų | 119.9 | 85% | 0.852 | 65% | 0.651 | S | S | * | * | trans | -79.9 | 130.3 | -173.3 | -142.8 | 51.6 | 0 | 0 | 0 | 112.3 | ||||
| 570 | R | 32.9 | Very low | 42.2 | Very low | 225 Ų | 225 | 123.4 Ų | 123.4 | 85% | 0.849 | 69% | 0.688 | S | S | * | * | trans | 73.8 | 147 | 179.1 | -53.6 | -179.1 | 174.2 | -164.9 | -4.1 | 113.9 | ||||
| 571 | R | 28.5 | Very low | 38.9 | Very low | 233 Ų | 233 | 129.1 Ų | 129.1 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | cis | -134.2 | 158 | 30.1 | -60.5 | 174.9 | 179.8 | 177.1 | -1.1 | 114.3 | ||||
| 572 | S | 33 | Very low | 36.3 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -58.7 | 135.3 | 163.9 | 51.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 573 | S | 27.1 | Very low | 33.6 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -115.3 | 98.7 | 175.2 | 39 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 574 | T | 24.6 | Very low | 31.3 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | -65.4 | 142.8 | 161.6 | 44 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 575 | P | 28.1 | Very low | 29.8 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | trans | -71.7 | 132.8 | -177.7 | 29.5 | -34.6 | 0 | 0 | 0 | 111.8 | ||||
| 576 | L | 25.9 | Very low | 28.7 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -128.6 | 154.2 | 163.5 | -85.8 | 171.1 | 0 | 0 | 0 | 109.7 | ||||
| 577 | L | 27.9 | Very low | 28.1 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | trans | -81.9 | 164 | -158.7 | -76.5 | 157.5 | 0 | 0 | 0 | 114.6 | ||||
| 578 | Q | 28.9 | Very low | 27.5 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 83% | 0.825 | S | S | * | * | trans | -63.5 | 151.6 | -172.3 | -57.7 | 167.1 | -10.8 | 0 | 0 | 114.4 | ||||
| 579 | T | 22.2 | Very low | 27.3 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 95% | 0.951 | 83% | 0.834 | S | S | * | * | -167.7 | 147.6 | 130 | 7.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 580 | G | 25 | Very low | 26.7 | Very low | 75 Ų | 75 | 145.9 Ų | 145.9 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | 104.2 | 76.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 581 | S | 25.1 | Very low | 26.5 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 84% | 0.839 | 83% | 0.827 | S | S | * | * | trans | 42.1 | 131.7 | 142.8 | -153.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 582 | P | 34.6 | Very low | 26.4 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 77% | 0.766 | 83% | 0.827 | S | S | * | * | trans | -94.5 | 149.8 | -179.7 | 37.4 | -35 | 0 | 0 | 0 | 115.4 | ||||
| 583 | K | 25.5 | Very low | 26.2 | Very low | 220 Ų | 220 | 141.7 Ų | 141.7 | 96% | 0.957 | 83% | 0.828 | S | S | * | * | trans | -168.3 | 151.3 | 155.5 | -111.2 | 168.7 | -175.9 | -179.3 | 0 | 110.9 | ||||
| 584 | G | 24.7 | Very low | 26.3 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | 114.6 | 86.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 585 | S | 26.4 | Very low | 26.6 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -79.9 | 125.9 | 170.3 | 175 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 586 | G | 23.6 | Very low | 27.3 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | -136.4 | 102.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P588 | G586-P588 WeakPolarHBondContact O-CD 3.48Š| ||
| 587 | L | 26.2 | Very low | 28.4 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -80 | 123.4 | 175.6 | -76.3 | 163.5 | 0 | 0 | 0 | 110.4 | W589 | L587-W589 PolarHBondContact O-N 3.34Å; L587-W589 VanDerWaalsContact O-N 3.1Å | ||
| 588 | P | 24.1 | Very low | 29.9 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 84% | 0.844 | 76% | 0.763 | S | S | * | * | trans | -80.4 | 85.6 | 166.7 | -1 | 19.7 | 0 | 0 | 0 | 109.1 | G586 D590 | G586-P588 WeakPolarHBondContact O-CD 3.48Å; P588-D590 PolarHBondContact O-N 3.44Å | ||
| 589 | W | 24.3 | Very low | 31.9 | Very low | 222 Ų | 222 | 118.6 Ų | 118.6 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | trans | -87.9 | 88.9 | 174.1 | -168.5 | -47.1 | 0 | 0 | 0 | 109.8 | L587 | L587-W589 PolarHBondContact O-N 3.34Å; L587-W589 VanDerWaalsContact O-N 3.1Å | ||
| 590 | D | 22 | Very low | 34.9 | Very low | 150 Ų | 150 | 113.3 Ų | 113.3 | 80% | 0.802 | 70% | 0.697 | S | S | * | * | trans | -142.4 | 44.1 | 174.3 | -107.7 | -37.1 | 0 | 0 | 0 | 113.4 | P588 N592 | P588-D590 PolarHBondContact O-N 3.44Å; D590-N592 VanDerWaalsContact C-N 3.26Å; D590-N592 PolarHBondContact O-N 2.83Å | ||
| 591 | Q | 29.8 | Very low | 38 | Very low | 161 Ų | 161 | 110.6 Ų | 110.6 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 77.2 | 164.4 | -69.4 | -174.5 | 20.6 | 0 | 0 | 110.6 | ||
| 592 | N | 26.4 | Very low | 41.1 | Very low | 164 Ų | 164 | 105.7 Ų | 105.7 | 88% | 0.877 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.7 | 24.4 | 155.8 | -102.6 | -33.4 | 0 | 0 | 0 | 115.9 | D590 | D590-N592 VanDerWaalsContact C-N 3.26Å; D590-N592 PolarHBondContact O-N 2.83Å |
| 593 | L | 27.4 | Very low | 43.7 | Very low | 165 Ų | 165 | 100.1 Ų | 100.1 | 86% | 0.864 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -128 | 107.1 | 163.8 | -160.9 | 70 | 0 | 0 | 0 | 109.9 | G595 | L593-G595 PolarHBondContact O-N 2.66Å; L593-G595 VanDerWaalsContact O-N 3.14Å |
| 594 | A | 30.2 | Very low | 46.9 | Very low | 90 Ų | 90 | 89.6 Ų | 89.6 | 74% | 0.744 | 55% | 0.547 | S | S | * | . | trans | -68.3 | 110.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T596 | A594-T596 PolarHBondContact O-N 3.22Å; A594-T596 PolarHBondContact O-OG1 3.39Å | ||
| 595 | G | 31.1 | Very low | 49.9 | Very low | 69 Ų | 69 | 89.8 Ų | 89.8 | 71% | 0.711 | 53% | 0.526 | S | S | * | . | trans | -67.2 | 96.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | L593 G597 | L593-G595 PolarHBondContact O-N 2.66Å; L593-G595 VanDerWaalsContact O-N 3.14Å; G595-G597 PolarHBondContact O-N 2.94Å | ||
| 596 | T | 42.4 | Very low | 52.9 | Low | 101 Ų | 101 | 84.1 Ų | 84.1 | 62% | 0.62 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | 57.8 | -172.9 | -23.4 | 0 | 0 | 0 | 0 | 112.9 | A594 K704 | A594-T596 PolarHBondContact O-N 3.22Å; A594-T596 PolarHBondContact O-OG1 3.39Å; T596-K704 PolarHBondContact O-NZ 3.33Å |
| 597 | G | 47.9 | Very low | 56 | Low | 16 Ų | 16 | 80.8 Ų | 80.8 | 17% | 0.165 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.4 | -54.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G595 R701 | G595-G597 PolarHBondContact O-N 2.94Å; G597-R701 PolarHBondContact O-NH1 3.49Å |
| 598 | D | 60.9 | Low | 59 | Low | 101 Ų | 101 | 74 Ų | 74 | 54% | 0.54 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -71.5 | 147.6 | -167 | -63.1 | 28.8 | 0 | 0 | 0 | 112.8 | S565 | S565-D598 WeakPolarHBondContact CB-OD2 3.41Å; S565-D598 VanDerWaalsContact OG-CG 3.3Å; S565-D598 PolarHBondContact OG-OD2 2.86Å |
| 599 | S | 69.4 | Low | 62 | Low | 19 Ų | 19 | 70.5 Ų | 70.5 | 13% | 0.133 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 124.2 | -177.3 | 59.1 | 0 | 0 | 0 | 0 | 112 | A524 H526 | A524-S599 WeakPolarHBondContact CB-OG 3.43Å; H526-S599 VanDerWaalsContact ND1-CB 3.33Å; H526-S599 WeakPolarHBondContact ND1-CB 3.4Å |
| 600 | T | 86.8 | Confident | 64.9 | Low | 43 Ų | 43 | 60.9 Ų | 60.9 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 169.9 | 179.6 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | A524 D525 H690 Q819 | A524-T600 WeakPolarHBondContact CB-O 3.28Å; D525-T600 WeakPolarHBondContact CB-O 3.14Å; D525-T600 VanDerWaalsContact CG-C 3.42Å; D525-T600 PolarHBondContact N-O 3.06Å; D525-T600 VanDerWaalsContact OD2-CB 3.22Å; D525-T600 WeakPolarHBondContact OD2-CB 3.49Å; D525-T600 VanDerWaalsContact OD2-O 3.06Å; D525-T600 PolarHBondContact OD2-OG1 2.85Å; T600-H690 WeakPolarHBondContact CB-NE2 3.5Å; T600-H690 PolarHBondContact OG1-NE2 3.25Å; T600-Q819 PolarHBondContact OG1-NE2 3.44Å; T600-Q819 PolarHBondContact OG1-OE1 2.88Å |
| 601 | N | 89.6 | Confident | 68.1 | Low | 18 Ų | 18 | 53.7 Ų | 53.7 | 10% | 0.096 | 32% | 0.317 | C | S | . | . | trans | -122.2 | 29.2 | 173.3 | -87.7 | -102.8 | 0 | 0 | 0 | 110.4 | D525 P560 V561 I603 A604 H605 L622 | D525-N601 VanDerWaalsContact OD1-C 3.23Å; D525-N601 WeakPolarHBondContact OD1-CA 3.31Å; D525-N601 PolarHBondContact OD2-N 3.18Å; P560-N601 WeakPolarHBondContact CB-OD1 3.39Å; V561-N601 PolarHBondContact O-ND2 2.94Å; N601-I603 PolarHBondContact O-N 3Å; N601-A604 HydrophobicContact CB-CB 4.28Å; N601-A604 WeakPolarHBondContact O-CA 3.5Å; N601-A604 WeakPolarHBondContact O-CB 3.21Å; N601-A604 PolarHBondContact O-N 3.31Å; N601-H605 PolarHBondContact O-CD2 3.41Å; N601-H605 PolarHBondContact O-N 2.78Å; N601-L622 HydrophobicContact CB-CD1 4Å | ||
| 602 | D | 89 | Confident | 70.9 | Confident | 18 Ų | 18 | 47 Ų | 47 | 10% | 0.096 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -28 | -175.4 | -72.4 | -24.1 | 0 | 0 | 0 | 112.1 | D525 H605 L606 H690 C757 K758 | D525-D602 VanDerWaalsContact CG-N 3.32Å; D525-D602 PolarHBondContact OD1-N 3.22Å; D525-D602 VanDerWaalsContact OD1-N 3.09Å; D525-D602 PolarHBondContact OD2-N 3.31Å; D602-H605 PolarHBondContact O-N 3.07Å; D602-L606 PolarHBondContact O-N 3.25Å; D602-H690 WeakPolarHBondContact CB-CE1 3.47Å; D602-H690 IonicContact OD2-CE1 3.9Å; D602-H690 PolarHBondContact OD2-CE1 2.6Å; D602-H690 IonicContact OD2-NE2 2.74Å; D602-H690 PolarHBondContact OD2-NE2 3.14Å; D602-C757 HydrophobicContact CB-CB 4.38Å; D602-K758 VanDerWaalsContact CG-CE 3.46Å; D602-K758 VanDerWaalsContact CG-NZ 3.27Å; D602-K758 WeakPolarHBondContact OD1-CE 3.13Å; D602-K758 IonicContact OD1-NZ 3.35Å; D602-K758 PolarHBondContact OD1-NZ 3.07Å; D602-K758 VanDerWaalsContact OD1-NZ 3.09Å; D602-K758 WeakPolarHBondContact OD2-CE 3.48Å; D602-K758 IonicContact OD2-NZ 2.77Å; D602-K758 PolarHBondContact OD2-NZ 3.16Å |
| 603 | I | 90.3 | Very high | 74 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.1 | -36.5 | 171.5 | -65.1 | -60.7 | 0 | 0 | 0 | 111.5 | D525 A528 N601 L606 L607 I669 V689 H690 | D525-I603 WeakPolarHBondContact OD1-CB 3.37Å; D525-I603 PolarHBondContact OD1-N 3.19Å; A528-I603 HydrophobicContact CB-CB 4.34Å; A528-I603 HydrophobicContact CB-CG1 4.35Å; A528-I603 HydrophobicContact CB-CG2 4.04Å; N601-I603 PolarHBondContact O-N 3Å; I603-L606 WeakPolarHBondContact O-CB 3.3Å; I603-L606 PolarHBondContact O-N 2.72Å; I603-L607 WeakPolarHBondContact O-CG 3.32Å; I603-L607 PolarHBondContact O-N 3.43Å; I603-I669 HydrophobicContact CG2-CD1 3.86Å; I603-V689 HydrophobicContact CD1-CB 4.45Å; I603-V689 HydrophobicContact CD1-CG1 3.73Å; I603-V689 HydrophobicContact CG1-CG1 4.4Å; I603-H690 HydrophobicContact CD1-CB 3.94Å; I603-H690 HydrophobicContact CG1-CB 3.91Å |
| 604 | A | 91.7 | Very high | 77.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.7 | -36.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F558 P560 N601 L607 G608 L619 | F558-A604 HydrophobicContact CE1-CB 4.14Å; P560-A604 HydrophobicContact CB-CB 3.53Å; P560-A604 HydrophobicContact CG-CB 4.06Å; N601-A604 HydrophobicContact CB-CB 4.28Å; N601-A604 WeakPolarHBondContact O-CA 3.5Å; N601-A604 WeakPolarHBondContact O-CB 3.21Å; N601-A604 PolarHBondContact O-N 3.31Å; A604-L607 PolarHBondContact O-N 3.43Å; A604-G608 PolarHBondContact O-N 2.97Å; A604-L619 HydrophobicContact CB-CD1 3.46Å; A604-L619 VanDerWaalsContact CB-CD1 3.46Å |
| 605 | H | 89.1 | Confident | 80 | Confident | 83 Ų | 83 | 29.7 Ų | 29.7 | 38% | 0.384 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 170.5 | -73.7 | -71.5 | 0 | 0 | 0 | 112.3 | N601 D602 L607 G608 M609 | N601-H605 PolarHBondContact O-CD2 3.41Å; N601-H605 PolarHBondContact O-N 2.78Å; D602-H605 PolarHBondContact O-N 3.07Å; H605-L607 PolarHBondContact O-N 3.36Å; H605-G608 PolarHBondContact O-N 3.02Å; H605-G608 VanDerWaalsContact O-N 3.16Å; H605-M609 PolarHBondContact O-N 3.09Å |
| 606 | L | 87.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 171.8 | 179 | 67.3 | 0 | 0 | 0 | 111.7 | D602 I603 G608 M609 L610 I669 C757 L763 | D602-L606 PolarHBondContact O-N 3.25Å; I603-L606 WeakPolarHBondContact O-CB 3.3Å; I603-L606 PolarHBondContact O-N 2.72Å; L606-G608 VanDerWaalsContact C-N 3.31Å; L606-G608 PolarHBondContact O-N 2.86Å; L606-M609 HydrophobicContact CD1-CE 4.24Å; L606-M609 PolarHBondContact O-N 3.48Å; L606-L610 HydrophobicContact CD1-CD1 4.37Å; L606-L610 HydrophobicContact CG-CD1 4.07Å; L606-L610 VanDerWaalsContact O-CG 3.3Å; L606-L610 WeakPolarHBondContact O-CG 3.33Å; L606-L610 PolarHBondContact O-N 3.31Å; L606-I669 HydrophobicContact CD2-CG2 4.3Å; L606-C757 HydrophobicContact CB-CB 4.25Å; L606-L763 HydrophobicContact CD1-CD2 4.07Å |
| 607 | L | 90.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.2 | -37 | 175.3 | -72 | 171 | 0 | 0 | 0 | 112.4 | F558 I603 A604 H605 L610 D611 Y614 A667 I669 I871 T873 | F558-L607 HydrophobicContact CB-CD1 4.41Å; F558-L607 HydrophobicContact CD1-CD1 4.16Å; I603-L607 WeakPolarHBondContact O-CG 3.32Å; I603-L607 PolarHBondContact O-N 3.43Å; A604-L607 PolarHBondContact O-N 3.43Å; H605-L607 PolarHBondContact O-N 3.36Å; L607-L610 PolarHBondContact O-N 3.3Å; L607-D611 PolarHBondContact O-N 2.97Å; L607-Y614 HydrophobicContact CB-CD1 3.71Å; L607-Y614 HydrophobicContact CB-CE1 3.42Å; L607-Y614 VanDerWaalsContact CB-CE1 3.42Å; L607-Y614 HydrophobicContact CB-CG 4.43Å; L607-Y614 HydrophobicContact CD1-CE1 4.2Å; L607-Y614 HydrophobicContact CD1-CE2 4.32Å; L607-Y614 HydrophobicContact CG-CE1 4.47Å; L607-A667 HydrophobicContact CD2-CB 3.64Å; L607-I669 HydrophobicContact CD2-CD1 4.04Å; L607-I669 HydrophobicContact CG-CD1 4.27Å; L607-I871 HydrophobicContact CD1-CB 4.42Å; L607-I871 HydrophobicContact CD1-CD1 4.2Å; L607-I871 HydrophobicContact CD1-CG2 3.93Å; L607-I871 HydrophobicContact CD2-CB 4.22Å; L607-I871 HydrophobicContact CD2-CG2 4.39Å; L607-T873 HydrophobicContact CD2-CG2 3.91Å |
| 608 | G | 89.3 | Confident | 87.1 | Confident | 2 Ų | 2 | 22 Ų | 22 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67 | -36.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A604 H605 L606 D611 | A604-G608 PolarHBondContact O-N 2.97Å; H605-G608 PolarHBondContact O-N 3.02Å; H605-G608 VanDerWaalsContact O-N 3.16Å; L606-G608 VanDerWaalsContact C-N 3.31Å; L606-G608 PolarHBondContact O-N 2.86Å; G608-D611 CarbonylContact O-C 3.5Å; G608-D611 VanDerWaalsContact O-C 3.23Å |
| 609 | M | 85.5 | Confident | 88.5 | Confident | 58 Ų | 58 | 17.4 Ų | 17.4 | 29% | 0.286 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -70.8 | -32.4 | 173.6 | -69.2 | -171 | -64.9 | 0 | 0 | 112.7 | H605 L606 C757 L763 | H605-M609 PolarHBondContact O-N 3.09Å; L606-M609 HydrophobicContact CD1-CE 4.24Å; L606-M609 PolarHBondContact O-N 3.48Å; M609-C757 VanDerWaalsContact CE-C 3.49Å; M609-C757 WeakPolarHBondContact CE-O 3.43Å; M609-L763 HydrophobicContact CE-CD1 3.99Å; M609-L763 HydrophobicContact SD-CD1 4.24Å |
| 610 | L | 85.3 | Confident | 89.4 | Confident | 19 Ų | 19 | 16.5 Ų | 16.5 | 10% | 0.099 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -74.6 | -34.3 | 174.9 | -70.4 | 169.6 | 0 | 0 | 0 | 112 | L606 L607 A667 L763 G876 A877 L878 | L606-L610 HydrophobicContact CD1-CD1 4.37Å; L606-L610 HydrophobicContact CG-CD1 4.07Å; L606-L610 VanDerWaalsContact O-CG 3.3Å; L606-L610 WeakPolarHBondContact O-CG 3.33Å; L606-L610 PolarHBondContact O-N 3.31Å; L607-L610 PolarHBondContact O-N 3.3Å; L610-A667 HydrophobicContact CD1-CB 4.25Å; L610-L763 HydrophobicContact CD2-CD2 3.46Å; L610-L763 VanDerWaalsContact CD2-CD2 3.46Å; L610-L763 HydrophobicContact CG-CD2 4.04Å; L610-G876 VanDerWaalsContact O-O 3.09Å; L610-A877 HydrophobicContact CB-CB 4.5Å; L610-A877 HydrophobicContact CD2-CB 3.82Å; L610-L878 PolarHBondContact O-N 3.26Å |
| 611 | D | 89.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -138 | 97.4 | -176 | -171.5 | -40.8 | 0 | 0 | 0 | 111.2 | L607 G608 W613 Y614 E615 T873 F874 S875 G876 | L607-D611 PolarHBondContact O-N 2.97Å; G608-D611 CarbonylContact O-C 3.5Å; G608-D611 VanDerWaalsContact O-C 3.23Å; D611-W613 PolarHBondContact O-N 3.14Å; D611-W613 VanDerWaalsContact O-N 3.12Å; D611-W613 WeakPolarHBondContact OD1-CA 3.35Å; D611-W613 WeakPolarHBondContact OD1-CB 3.21Å; D611-W613 PolarHBondContact OD1-N 3.37Å; D611-Y614 WeakPolarHBondContact O-CA 3.05Å; D611-Y614 WeakPolarHBondContact O-CB 3.44Å; D611-Y614 PolarHBondContact O-N 3.13Å; D611-Y614 PolarHBondContact OD1-N 3.25Å; D611-E615 PolarHBondContact O-N 3.01Å; D611-T873 HydrophobicContact CB-CG2 4.44Å; D611-T873 WeakPolarHBondContact OD2-CB 3.45Å; D611-T873 PolarHBondContact OD2-OG1 2.99Å; D611-F874 WeakPolarHBondContact OD2-CA 3.45Å; D611-F874 PolarHBondContact OD2-N 2.91Å; D611-S875 PolarHBondContact OD2-N 3.41Å; D611-S875 PolarHBondContact OD2-OG 3.42Å; D611-G876 WeakPolarHBondContact CB-O 3.18Å; D611-G876 PolarHBondContact OD2-N 3.12Å | ||
| 612 | P | 88.3 | Confident | 89.3 | Confident | 20 Ų | 20 | 15.2 Ų | 15.2 | 13% | 0.13 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.8 | -16.3 | 178.9 | -26.9 | 36.7 | 0 | 0 | 0 | 115 | L22 R616 L878 | L22-P612 HydrophobicContact CD2-CB 3.64Å; P612-R616 WeakPolarHBondContact O-CG 3.21Å; P612-R616 PolarHBondContact O-N 3.04Å; P612-L878 HydrophobicContact CG-CD1 4.06Å |
| 613 | W | 91.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.015 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -82.8 | -32.8 | 173.9 | -156.2 | -122.1 | 0 | 0 | 0 | 111.3 | C18 L22 R45 P84 M88 D611 R616 N617 Y658 F874 | C18-W613 HydrophobicContact CB-CH2 4.27Å; L22-W613 HydrophobicContact CD1-CE3 4.44Å; L22-W613 HydrophobicContact CD1-CZ3 4.35Å; R45-W613 HydrophobicContact CG-CZ2 4.33Å; P84-W613 HydrophobicContact CB-CD2 3.93Å; P84-W613 HydrophobicContact CB-CE3 3.65Å; P84-W613 HydrophobicContact CB-CH2 4.38Å; P84-W613 HydrophobicContact CB-CZ3 3.89Å; P84-W613 HydrophobicContact CG-CB 4.32Å; P84-W613 HydrophobicContact CG-CD2 4.05Å; P84-W613 HydrophobicContact CG-CE3 3.77Å; P84-W613 HydrophobicContact CG-CG 4.31Å; P84-W613 HydrophobicContact CG-CZ3 4.44Å; M88-W613 HydrophobicContact CG-CH2 4.18Å; M88-W613 HydrophobicContact CG-CZ2 3.8Å; M88-W613 HydrophobicContact SD-CH2 3.67Å; M88-W613 HydrophobicContact SD-CZ2 3.94Å; D611-W613 PolarHBondContact O-N 3.14Å; D611-W613 VanDerWaalsContact O-N 3.12Å; D611-W613 WeakPolarHBondContact OD1-CA 3.35Å; D611-W613 WeakPolarHBondContact OD1-CB 3.21Å; D611-W613 PolarHBondContact OD1-N 3.37Å; W613-R616 HydrophobicContact CE3-CB 4.47Å; W613-R616 PolarHBondContact O-N 2.92Å; W613-N617 VanDerWaalsContact CD2-ND2 3.27Å; W613-N617 PolarHBondContact NE1-ND2 3.36Å; W613-N617 WeakPolarHBondContact O-CB 3.14Å; W613-N617 PolarHBondContact O-N 3.36Å; W613-N617 PolarHBondContact O-ND2 3.2Å; W613-Y658 PolarHBondContact NE1-OH 3.48Å; W613-F874 HydrophobicContact CB-CB 4.1Å; W613-F874 HydrophobicContact CB-CD2 4.14Å; W613-F874 HydrophobicContact CB-CG 4.28Å; W613-F874 AromaticContact CD1-CD1 3.7Å; W613-F874 AromaticContact CD1-CD2 3.8Å; W613-F874 AromaticContact CD1-CG 3.51Å; W613-F874 HydrophobicContact CG-CB 4.4Å; W613-F874 HydrophobicContact CG-CD2 4.31Å; W613-F874 HydrophobicContact CG-CG 4.28Å |
| 614 | Y | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 166 | 177 | -82.7 | 0 | 0 | 0 | 111.3 | F558 L607 D611 R616 T618 L619 Y659 T873 | F558-Y614 PolarHBondContact O-OH 3.11Å; L607-Y614 HydrophobicContact CB-CD1 3.71Å; L607-Y614 HydrophobicContact CB-CE1 3.42Å; L607-Y614 VanDerWaalsContact CB-CE1 3.42Å; L607-Y614 HydrophobicContact CB-CG 4.43Å; L607-Y614 HydrophobicContact CD1-CE1 4.2Å; L607-Y614 HydrophobicContact CD1-CE2 4.32Å; L607-Y614 HydrophobicContact CG-CE1 4.47Å; D611-Y614 WeakPolarHBondContact O-CA 3.05Å; D611-Y614 WeakPolarHBondContact O-CB 3.44Å; D611-Y614 PolarHBondContact O-N 3.13Å; D611-Y614 PolarHBondContact OD1-N 3.25Å; Y614-R616 VanDerWaalsContact C-N 3.28Å; Y614-R616 PolarHBondContact O-N 2.82Å; Y614-T618 HydrophobicContact CD2-CG2 4.03Å; Y614-T618 HydrophobicContact CE2-CG2 3.49Å; Y614-T618 VanDerWaalsContact CE2-CG2 3.49Å; Y614-T618 WeakPolarHBondContact O-CA 3.46Å; Y614-T618 PolarHBondContact O-N 2.88Å; Y614-L619 HydrophobicContact CD1-CB 4.41Å; Y614-L619 HydrophobicContact CE1-CB 4.18Å; Y614-L619 PolarHBondContact O-N 2.79Å; Y614-Y659 HydrophobicContact CD2-CE2 4.03Å; Y614-Y659 HydrophobicContact CE2-CE1 4.32Å; Y614-Y659 HydrophobicContact CE2-CE2 4.29Å; Y614-Y659 AromaticContact CE2-CZ 3.85Å; Y614-T873 HydrophobicContact CD2-CG2 4.04Å; Y614-T873 HydrophobicContact CG-CG2 4.3Å |
| 615 | E | 90 | Very high | 88.5 | Confident | 52 Ų | 52 | 22.7 Ų | 22.7 | 24% | 0.243 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -53.7 | -49.1 | 172.4 | 174.2 | 167.1 | -150.5 | 0 | 0 | 110.7 | Q24 D611 L619 S620 | Q24-E615 PolarHBondContact NE2-OE2 3.3Å; D611-E615 PolarHBondContact O-N 3.01Å; E615-L619 HydrophobicContact CG-CD2 4.27Å; E615-L619 WeakPolarHBondContact O-CB 3.35Å; E615-S620 PolarHBondContact O-N 3.14Å |
| 616 | R | 87.9 | Confident | 88.2 | Confident | 16 Ų | 16 | 21.1 Ų | 21.1 | 6% | 0.06 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.1 | -49.4 | -176.9 | -74.9 | 169.5 | -176.9 | -96.6 | -26.1 | 113.5 | C18 D20 G21 L22 S42 P612 W613 Y614 S620 | C18-R616 PolarHBondContact O-NH1 3.34Å; D20-R616 PolarHBondContact O-NH1 3.17Å; D20-R616 PolarHBondContact O-NH2 3.26Å; G21-R616 PolarHBondContact O-NH2 3.3Å; G21-R616 VanDerWaalsContact O-NH2 3.12Å; L22-R616 VanDerWaalsContact N-NH2 3.18Å; S42-R616 WeakPolarHBondContact CA-O 3.38Å; S42-R616 WeakPolarHBondContact CB-O 3.41Å; S42-R616 PolarHBondContact N-O 3.13Å; S42-R616 VanDerWaalsContact N-O 3.13Å; P612-R616 WeakPolarHBondContact O-CG 3.21Å; P612-R616 PolarHBondContact O-N 3.04Å; W613-R616 HydrophobicContact CE3-CB 4.47Å; W613-R616 PolarHBondContact O-N 2.92Å; Y614-R616 VanDerWaalsContact C-N 3.28Å; Y614-R616 PolarHBondContact O-N 2.82Å; R616-S620 WeakPolarHBondContact O-CB 3.43Å; R616-S620 PolarHBondContact O-OG 2.89Å |
| 617 | N | 90 | Very high | 87.8 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -92.3 | -32.5 | -167.7 | -66.5 | -78.8 | 0 | 0 | 0 | 113.2 | R45 W613 Y658 F874 | R45-N617 WeakPolarHBondContact CD-OD1 3.48Å; W613-N617 VanDerWaalsContact CD2-ND2 3.27Å; W613-N617 PolarHBondContact NE1-ND2 3.36Å; W613-N617 WeakPolarHBondContact O-CB 3.14Å; W613-N617 PolarHBondContact O-N 3.36Å; W613-N617 PolarHBondContact O-ND2 3.2Å; N617-Y658 HydrophobicContact CB-CE1 4.43Å; N617-F874 HydrophobicContact CB-CE2 4.13Å; N617-F874 HydrophobicContact CB-CZ 4.17Å |
| 618 | T | 92.8 | Very high | 87.5 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -47.9 | -171.9 | -47.2 | 0 | 0 | 0 | 0 | 112.1 | Y614 L621 Y659 | Y614-T618 HydrophobicContact CD2-CG2 4.03Å; Y614-T618 HydrophobicContact CE2-CG2 3.49Å; Y614-T618 VanDerWaalsContact CE2-CG2 3.49Å; Y614-T618 WeakPolarHBondContact O-CA 3.46Å; Y614-T618 PolarHBondContact O-N 2.88Å; T618-L621 WeakPolarHBondContact O-CB 3.47Å; T618-L621 WeakPolarHBondContact O-CD1 3.16Å; T618-L621 VanDerWaalsContact O-CG 3.29Å; T618-L621 WeakPolarHBondContact O-CG 3.27Å; T618-L621 PolarHBondContact O-N 3.2Å; T618-Y659 HydrophobicContact CG2-CD1 3.83Å; T618-Y659 HydrophobicContact CG2-CE1 3.85Å; T618-Y659 HydrophobicContact CG2-CG 4.41Å |
| 619 | L | 91.1 | Very high | 87.2 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -69.9 | -36.5 | 179.8 | -174.5 | 62.8 | 0 | 0 | 0 | 112.8 | P560 A604 Y614 E615 L621 L622 | P560-L619 HydrophobicContact CB-CD1 4.46Å; P560-L619 HydrophobicContact CG-CD1 4.08Å; A604-L619 HydrophobicContact CB-CD1 3.46Å; A604-L619 VanDerWaalsContact CB-CD1 3.46Å; Y614-L619 HydrophobicContact CD1-CB 4.41Å; Y614-L619 HydrophobicContact CE1-CB 4.18Å; Y614-L619 PolarHBondContact O-N 2.79Å; E615-L619 HydrophobicContact CG-CD2 4.27Å; E615-L619 WeakPolarHBondContact O-CB 3.35Å; L619-L621 PolarHBondContact O-N 3.35Å; L619-L621 VanDerWaalsContact O-N 3.11Å; L619-L622 HydrophobicContact CD1-CD1 3.68Å; L619-L622 WeakPolarHBondContact O-CB 3.21Å; L619-L622 PolarHBondContact O-N 3.03Å; L619-L622 VanDerWaalsContact O-N 3.16Å |
| 620 | S | 88.1 | Confident | 87.2 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -65.3 | -12.6 | 179.9 | 82.8 | 0 | 0 | 0 | 0 | 114 | S42 E615 R616 L622 K623 | S42-S620 VanDerWaalsContact CB-OG 3.25Å; S42-S620 WeakPolarHBondContact CB-OG 3.44Å; S42-S620 PolarHBondContact N-OG 3.23Å; S42-S620 PolarHBondContact OG-OG 2.98Å; E615-S620 PolarHBondContact O-N 3.14Å; R616-S620 WeakPolarHBondContact O-CB 3.43Å; R616-S620 PolarHBondContact O-OG 2.89Å; S620-L622 PolarHBondContact O-N 3.34Å; S620-K623 WeakPolarHBondContact O-CA 3.37Å; S620-K623 WeakPolarHBondContact O-CB 3.46Å; S620-K623 PolarHBondContact O-N 3.35Å |
| 621 | L | 86.6 | Confident | 86.9 | Confident | 11 Ų | 11 | 32 Ų | 32 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -54.4 | -36.2 | 170.2 | -65.8 | 175.6 | 0 | 0 | 0 | 111.7 | V559 T618 L619 K623 L624 L652 L655 | V559-L621 HydrophobicContact CG1-CD1 4.02Å; T618-L621 WeakPolarHBondContact O-CB 3.47Å; T618-L621 WeakPolarHBondContact O-CD1 3.16Å; T618-L621 VanDerWaalsContact O-CG 3.29Å; T618-L621 WeakPolarHBondContact O-CG 3.27Å; T618-L621 PolarHBondContact O-N 3.2Å; L619-L621 PolarHBondContact O-N 3.35Å; L619-L621 VanDerWaalsContact O-N 3.11Å; L621-K623 PolarHBondContact O-N 3.06Å; L621-L624 HydrophobicContact CD2-CD1 4.35Å; L621-L624 PolarHBondContact O-N 2.91Å; L621-L652 HydrophobicContact CD1-CD1 4.41Å; L621-L655 HydrophobicContact CD2-CB 4.44Å; L621-L655 HydrophobicContact CD2-CD1 3.67Å |
| 622 | L | 87.1 | Confident | 85.9 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 12% | 0.115 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -57.3 | -20.4 | 174.1 | -65.1 | 177.8 | 0 | 0 | 0 | 113.5 | P560 K562 N601 L619 S620 | P560-L622 HydrophobicContact CB-CD1 4.11Å; P560-L622 HydrophobicContact CB-CD2 4.06Å; P560-L622 HydrophobicContact CB-CG 4.09Å; P560-L622 HydrophobicContact CG-CD1 4.44Å; P560-L622 HydrophobicContact CG-CG 4.21Å; P560-L622 WeakPolarHBondContact O-CD2 3.42Å; K562-L622 WeakPolarHBondContact CE-O 3.4Å; K562-L622 HydrophobicContact CG-CD2 3.99Å; K562-L622 PolarHBondContact NZ-O 3.16Å; N601-L622 HydrophobicContact CB-CD1 4Å; L619-L622 HydrophobicContact CD1-CD1 3.68Å; L619-L622 WeakPolarHBondContact O-CB 3.21Å; L619-L622 PolarHBondContact O-N 3.03Å; L619-L622 VanDerWaalsContact O-N 3.16Å; S620-L622 PolarHBondContact O-N 3.34Å |
| 623 | K | 84.9 | Confident | 84.4 | Confident | 77 Ų | 77 | 37.3 Ų | 37.3 | 34% | 0.335 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -96.8 | -7.8 | -177.7 | -53.5 | 177.2 | -175.7 | 175.2 | 0 | 112.8 | S38 S620 L621 | S38-K623 VanDerWaalsContact CB-NZ 3.28Å; S38-K623 WeakPolarHBondContact O-CD 3.28Å; S38-K623 WeakPolarHBondContact OG-CD 3.33Å; S38-K623 PolarHBondContact OG-NZ 3.27Å; S620-K623 WeakPolarHBondContact O-CA 3.37Å; S620-K623 WeakPolarHBondContact O-CB 3.46Å; S620-K623 PolarHBondContact O-N 3.35Å; L621-K623 PolarHBondContact O-N 3.06Å |
| 624 | L | 84.3 | Confident | 82.3 | Confident | 27 Ų | 27 | 42.8 Ų | 42.8 | 14% | 0.141 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -95.5 | 145.4 | -179.2 | -59.1 | -176.6 | 0 | 0 | 0 | 111.7 | M43 L621 V629 | M43-L624 HydrophobicContact CG-CD1 3.99Å; M43-L624 HydrophobicContact CG-CD2 4.23Å; M43-L624 HydrophobicContact SD-CD1 4.01Å; L621-L624 HydrophobicContact CD2-CD1 4.35Å; L621-L624 PolarHBondContact O-N 2.91Å; L624-V629 HydrophobicContact CB-CG2 3.45Å; L624-V629 VanDerWaalsContact CB-CG2 3.45Å; L624-V629 HydrophobicContact CD1-CG2 3.61Å; L624-V629 HydrophobicContact CG-CG2 4.17Å |
| 625 | P | 84.6 | Confident | 80 | Confident | 72 Ų | 72 | 49.5 Ų | 49.5 | 47% | 0.468 | 27% | 0.265 | S | S | . | . | trans | -67.4 | 129.2 | 172.8 | -20.4 | 33.7 | 0 | 0 | 0 | 112 | N627 V628 V629 | P625-N627 VanDerWaalsContact C-N 3.26Å; P625-N627 WeakPolarHBondContact CB-OD1 3.46Å; P625-N627 PolarHBondContact O-N 3.16Å; P625-V628 HydrophobicContact CB-CB 4.48Å; P625-V628 HydrophobicContact CB-CG2 4.1Å; P625-V628 HydrophobicContact CG-CG2 4.35Å; P625-V628 PolarHBondContact O-N 3.48Å; P625-V629 PolarHBondContact O-N 3.11Å | ||
| 626 | T | 83.5 | Confident | 77.6 | Confident | 49 Ų | 49 | 51.9 Ų | 51.9 | 30% | 0.301 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.1 | -43.1 | -176.7 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | D178 F179 V628 V629 C630 | D178-T626 VanDerWaalsContact OD2-CB 3.3Å; D178-T626 WeakPolarHBondContact OD2-CB 3.46Å; D178-T626 PolarHBondContact OD2-OG1 3.25Å; F179-T626 HydrophobicContact CE2-CG2 3.97Å; T626-V628 PolarHBondContact O-N 2.92Å; T626-V629 PolarHBondContact O-N 3.29Å; T626-C630 VanDerWaalsContact O-CB 3.27Å; T626-C630 WeakPolarHBondContact O-CB 3.44Å; T626-C630 PolarHBondContact O-N 3.26Å; T626-C630 PolarHBondContact O-SG 3.43Å |
| 627 | N | 80.1 | Confident | 75.2 | Confident | 85 Ų | 85 | 58.3 Ų | 58.3 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.8 | -20.6 | 179 | 72.1 | -45.2 | 0 | 0 | 0 | 114.4 | P625 Q631 | P625-N627 VanDerWaalsContact C-N 3.26Å; P625-N627 WeakPolarHBondContact CB-OD1 3.46Å; P625-N627 PolarHBondContact O-N 3.16Å; N627-Q631 WeakPolarHBondContact O-CB 3.5Å; N627-Q631 WeakPolarHBondContact O-CG 3.18Å; N627-Q631 PolarHBondContact O-NE2 2.9Å |
| 628 | V | 82.6 | Confident | 72.7 | Confident | 77 Ų | 77 | 60.3 Ų | 60.3 | 47% | 0.467 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -86.5 | -41.6 | 174.3 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | P625 T626 | P625-V628 HydrophobicContact CB-CB 4.48Å; P625-V628 HydrophobicContact CB-CG2 4.1Å; P625-V628 HydrophobicContact CG-CG2 4.35Å; P625-V628 PolarHBondContact O-N 3.48Å; T626-V628 PolarHBondContact O-N 2.92Å |
| 629 | V | 84.2 | Confident | 69.7 | Low | 6 Ų | 6 | 65.8 Ų | 65.8 | 4% | 0.036 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -83.8 | -27.5 | -172 | -162.8 | 0 | 0 | 0 | 0 | 112 | L624 P625 T626 I651 L652 L655 | L624-V629 HydrophobicContact CB-CG2 3.45Å; L624-V629 VanDerWaalsContact CB-CG2 3.45Å; L624-V629 HydrophobicContact CD1-CG2 3.61Å; L624-V629 HydrophobicContact CG-CG2 4.17Å; P625-V629 PolarHBondContact O-N 3.11Å; T626-V629 PolarHBondContact O-N 3.29Å; V629-I651 HydrophobicContact CG1-CB 4.05Å; V629-I651 HydrophobicContact CG1-CG2 4.13Å; V629-I651 PolarHBondContact O-N 2.93Å; V629-I651 VanDerWaalsContact O-N 3.1Å; V629-L652 HydrophobicContact CG1-CB 3.88Å; V629-L652 PolarHBondContact O-N 3.38Å; V629-L655 HydrophobicContact CG1-CD1 4.46Å |
| 630 | C | 85.1 | Confident | 67.3 | Low | 18 Ų | 18 | 69.6 Ų | 69.6 | 12% | 0.122 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -95.7 | -8.6 | -179.9 | -51.5 | 0 | 0 | 0 | 0 | 113.7 | D178 F179 V182 T626 | D178-C630 HydrophobicContact CB-CB 3.81Å; F179-C630 VanDerWaalsContact CD2-SG 3.57Å; V182-C630 HydrophobicContact CG2-CB 3.74Å; T626-C630 VanDerWaalsContact O-CB 3.27Å; T626-C630 WeakPolarHBondContact O-CB 3.44Å; T626-C630 PolarHBondContact O-N 3.26Å; T626-C630 PolarHBondContact O-SG 3.43Å |
| 631 | Q | 80 | Confident | 65.1 | Low | 122 Ų | 122 | 73.6 Ų | 73.6 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -76.8 | 137.4 | 174 | -85.4 | 178 | 19.4 | 0 | 0 | 111.5 | N627 | N627-Q631 WeakPolarHBondContact O-CB 3.5Å; N627-Q631 WeakPolarHBondContact O-CG 3.18Å; N627-Q631 PolarHBondContact O-NE2 2.9Å |
| 632 | Q | 68.8 | Low | 62.9 | Low | 88 Ų | 88 | 76 Ų | 76 | 41% | 0.411 | 43% | 0.43 | S | S | . | . | B | Isolated β-bridge | trans | -74.1 | 127.7 | 172.9 | -155.7 | -178.6 | 7.4 | 0 | 0 | 109.9 | S634 R648 | Q632-S634 PolarHBondContact O-N 2.78Å; Q632-R648 WeakPolarHBondContact CG-O 3.35Å; Q632-R648 PolarHBondContact NE2-O 3.27Å |
| 633 | T | 56.7 | Low | 60.5 | Low | 44 Ų | 44 | 78.4 Ų | 78.4 | 27% | 0.27 | 46% | 0.46 | S | S | . | . | trans | -81.5 | 84.1 | -172.9 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | K635 R648 I651 | T633-K635 PolarHBondContact O-N 3.29Å; T633-R648 WeakPolarHBondContact OG1-CD 3.3Å; T633-I651 HydrophobicContact CG2-CD1 4.25Å; T633-I651 HydrophobicContact CG2-CG1 4.33Å | ||
| 634 | S | 46.4 | Very low | 58.5 | Low | 120 Ų | 120 | 77.7 Ų | 77.7 | 84% | 0.839 | 47% | 0.465 | S | S | * | . | trans | -69 | 29.8 | -169 | 59.2 | 0 | 0 | 0 | 0 | 117.3 | Q632 | Q632-S634 PolarHBondContact O-N 2.78Š| ||
| 635 | K | 45.6 | Very low | 56.7 | Low | 140 Ų | 140 | 78.3 Ų | 78.3 | 61% | 0.609 | 47% | 0.465 | S | S | * | . | trans | -109.1 | 92.4 | 176.9 | -82.7 | -169.5 | 154.6 | -136.4 | 0 | 112.4 | T633 E637 R648 | T633-K635 PolarHBondContact O-N 3.29Å; K635-E637 IonicContact NZ-OE1 2.66Å; K635-E637 PolarHBondContact NZ-OE1 3.13Å; K635-E637 PolarHBondContact O-N 2.59Å; K635-R648 PolarHBondContact O-NH1 3Å | ||
| 636 | T | 38.9 | Very low | 55 | Low | 102 Ų | 102 | 79.2 Ų | 79.2 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | trans | -79.8 | 96.1 | 162.1 | -58 | 0 | 0 | 0 | 0 | 109.1 | E646 | T636-E646 WeakPolarHBondContact CG2-OE2 3.38Š| ||
| 637 | E | 37.8 | Very low | 53.6 | Low | 152 Ų | 152 | 82.3 Ų | 82.3 | 71% | 0.71 | 47% | 0.474 | S | S | * | . | trans | -104.3 | 51.1 | 176.2 | -77.8 | -179.2 | -172.1 | 0 | 0 | 112 | K635 | K635-E637 IonicContact NZ-OE1 2.66Å; K635-E637 PolarHBondContact NZ-OE1 3.13Å; K635-E637 PolarHBondContact O-N 2.59Å | ||
| 638 | S | 36.6 | Very low | 53 | Low | 46 Ų | 46 | 83.1 Ų | 83.1 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | trans | -164.6 | 133.3 | 152.9 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | S640 Y641 | S638-S640 PolarHBondContact O-N 3.45Å; S638-Y641 WeakPolarHBondContact OG-CD2 3.48Å | ||
| 639 | A | 30.1 | Very low | 52.7 | Low | 117 Ų | 117 | 80.3 Ų | 80.3 | 97% | 0.967 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 28.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 640 | S | 40.4 | Very low | 52.9 | Low | 86 Ų | 86 | 80.1 Ų | 80.1 | 60% | 0.601 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.9 | -1.2 | -172.1 | 59 | 0 | 0 | 0 | 0 | 114.1 | S638 | S638-S640 PolarHBondContact O-N 3.45Š|
| 641 | Y | 43 | Very low | 53.1 | Low | 84 Ų | 84 | 79.7 Ų | 79.7 | 33% | 0.329 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -89.3 | 145.3 | 173.9 | -86.8 | -106.8 | 0 | 0 | 0 | 111.1 | Q282 S638 G643 | Q282-Y641 HydrophobicContact CG-CE1 4.03Å; Q282-Y641 VanDerWaalsContact NE2-CE1 3.34Å; S638-Y641 WeakPolarHBondContact OG-CD2 3.48Å; Y641-G643 PolarHBondContact O-N 3.01Å |
| 642 | D | 39.2 | Very low | 53.7 | Low | 62 Ų | 62 | 74 Ų | 74 | 33% | 0.332 | 42% | 0.422 | S | S | . | . | trans | -71 | 109.9 | 176.7 | -178.7 | -8.2 | 0 | 0 | 0 | 108.8 | H219 S644 | H219-D642 IonicContact CE1-OD2 3.8Å; H219-D642 IonicContact ND1-OD2 3.92Å; D642-S644 VanDerWaalsContact CG-OG 3.22Å; D642-S644 PolarHBondContact O-N 3.21Å; D642-S644 PolarHBondContact OD1-OG 2.66Å | ||
| 643 | G | 37.7 | Very low | 54.8 | Low | 72 Ų | 72 | 69.9 Ų | 69.9 | 74% | 0.742 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 9.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116 | Y641 | Y641-G643 PolarHBondContact O-N 3.01Š|
| 644 | S | 42.7 | Very low | 56.4 | Low | 63 Ų | 63 | 69.4 Ų | 69.4 | 44% | 0.441 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -15.9 | -179.9 | 43.1 | 0 | 0 | 0 | 0 | 114.3 | D642 | D642-S644 VanDerWaalsContact CG-OG 3.22Å; D642-S644 PolarHBondContact O-N 3.21Å; D642-S644 PolarHBondContact OD1-OG 2.66Å |
| 645 | Y | 46.9 | Very low | 58.5 | Low | 40 Ų | 40 | 63.9 Ų | 63.9 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -118.5 | -11.2 | -174.1 | -62.6 | -93.3 | 0 | 0 | 0 | 115.5 | D195 T199 Q647 | D195-Y645 HydrophobicContact CB-CE1 4.36Å; D195-Y645 WeakPolarHBondContact CB-OH 3.5Å; D195-Y645 PolarHBondContact O-OH 3.08Å; T199-Y645 VanDerWaalsContact OG1-CE1 3.32Å; T199-Y645 WeakPolarHBondContact OG1-CE1 3.11Å; T199-Y645 PolarHBondContact OG1-OH 3.4Å; Y645-Q647 VanDerWaalsContact C-N 3.34Å; Y645-Q647 PolarHBondContact O-N 3.37Å |
| 646 | E | 48.2 | Very low | 60.8 | Low | 91 Ų | 91 | 57.5 Ų | 57.5 | 43% | 0.425 | 33% | 0.333 | S | S | . | . | trans | -85.1 | 45.4 | -168 | -67.6 | -152.7 | 151.5 | 0 | 0 | 116.1 | T636 R648 | T636-E646 WeakPolarHBondContact CG2-OE2 3.38Å; E646-R648 PolarHBondContact O-N 3.46Å | ||
| 647 | Q | 55.1 | Low | 63.4 | Low | 113 Ų | 113 | 53 Ų | 53 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | trans | -81.5 | 66.9 | 156.1 | -162.7 | 173.6 | 10.8 | 0 | 0 | 109.9 | Y645 L649 | Y645-Q647 VanDerWaalsContact C-N 3.34Å; Y645-Q647 PolarHBondContact O-N 3.37Å; Q647-L649 PolarHBondContact O-N 2.87Å | ||
| 648 | R | 67.2 | Low | 66.1 | Low | 103 Ų | 103 | 46.2 Ų | 46.2 | 39% | 0.389 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -49 | 124.3 | -178 | -169 | 178 | -165 | 167.9 | 7.8 | 110.4 | E50 Q632 T633 K635 E646 | E50-R648 IonicContact OE2-CZ 2.84Å; E50-R648 IonicContact OE2-NE 3.29Å; E50-R648 IonicContact OE2-NH2 2.7Å; E50-R648 PolarHBondContact OE2-NH2 3.47Å; Q632-R648 WeakPolarHBondContact CG-O 3.35Å; Q632-R648 PolarHBondContact NE2-O 3.27Å; T633-R648 WeakPolarHBondContact OG1-CD 3.3Å; K635-R648 PolarHBondContact O-NH1 3Å; E646-R648 PolarHBondContact O-N 3.46Å |
| 649 | L | 76.3 | Confident | 69 | Low | 18 Ų | 18 | 44.1 Ų | 44.1 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 156.5 | -171.7 | -68.7 | 175 | 0 | 0 | 0 | 112.2 | L186 I189 T288 Q647 A653 L657 | L186-L649 HydrophobicContact CD2-CD2 4.16Å; I189-L649 HydrophobicContact CD1-CD2 3.49Å; I189-L649 VanDerWaalsContact CD1-CD2 3.49Å; T288-L649 HydrophobicContact CG2-CD1 4.2Å; T288-L649 HydrophobicContact CG2-CD2 4.31Å; Q647-L649 PolarHBondContact O-N 2.87Å; L649-A653 HydrophobicContact CB-CB 4.06Å; L649-A653 HydrophobicContact CD1-CB 4.24Å; L649-A653 HydrophobicContact CD2-CB 4.34Å; L649-A653 HydrophobicContact CG-CB 4.45Å; L649-L657 HydrophobicContact CD1-CD1 3.81Å |
| 650 | P | 88.4 | Confident | 72.1 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -59.5 | 146 | 158.8 | -21.9 | 34.9 | 0 | 0 | 0 | 110.6 | V182 L652 A653 D654 | V182-P650 HydrophobicContact CG1-CB 4.12Å; V182-P650 HydrophobicContact CG1-CG 4.17Å; V182-P650 HydrophobicContact CG2-CB 3.88Å; V182-P650 HydrophobicContact CG2-CG 3.98Å; P650-L652 PolarHBondContact O-N 2.81Å; P650-L652 VanDerWaalsContact O-N 3.09Å; P650-A653 WeakPolarHBondContact O-CB 3.41Å; P650-A653 PolarHBondContact O-N 2.55Å; P650-D654 PolarHBondContact O-N 2.85Å |
| 651 | I | 89.3 | Confident | 74.6 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.046 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -30.7 | -176.1 | -54.5 | 175.2 | 0 | 0 | 0 | 111.5 | M43 W46 V629 T633 A653 D654 L655 | M43-I651 HydrophobicContact CE-CD1 4.04Å; M43-I651 HydrophobicContact CE-CG2 3.85Å; M43-I651 HydrophobicContact SD-CG2 3.79Å; W46-I651 HydrophobicContact CD2-CG2 4.24Å; W46-I651 HydrophobicContact CG-CG2 4.28Å; W46-I651 HydrophobicContact CH2-CD1 4.14Å; W46-I651 HydrophobicContact CH2-CG1 4.31Å; W46-I651 HydrophobicContact CZ2-CD1 4.17Å; W46-I651 HydrophobicContact CZ2-CG1 3.83Å; V629-I651 HydrophobicContact CG1-CB 4.05Å; V629-I651 HydrophobicContact CG1-CG2 4.13Å; V629-I651 PolarHBondContact O-N 2.93Å; V629-I651 VanDerWaalsContact O-N 3.1Å; T633-I651 HydrophobicContact CG2-CD1 4.25Å; T633-I651 HydrophobicContact CG2-CG1 4.33Å; I651-A653 VanDerWaalsContact C-N 3.32Å; I651-A653 PolarHBondContact O-N 2.79Å; I651-D654 PolarHBondContact O-N 3Å; I651-L655 HydrophobicContact CG2-CD1 3.92Å; I651-L655 HydrophobicContact CG2-CG 4.41Å; I651-L655 WeakPolarHBondContact O-CG 3.49Å; I651-L655 PolarHBondContact O-N 2.91Å |
| 652 | L | 91.6 | Very high | 77.1 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 175 | 178.6 | 62.5 | 0 | 0 | 0 | 111.5 | F179 V182 L621 V629 P650 L655 V656 | F179-L652 HydrophobicContact CB-CD2 4.2Å; F179-L652 HydrophobicContact CD1-CD1 4.27Å; F179-L652 HydrophobicContact CD1-CD2 3.55Å; F179-L652 HydrophobicContact CD2-CD2 3.89Å; F179-L652 HydrophobicContact CE1-CD1 3.75Å; F179-L652 HydrophobicContact CE1-CD2 3.79Å; F179-L652 HydrophobicContact CE1-CG 4.46Å; F179-L652 HydrophobicContact CE2-CD2 4.1Å; F179-L652 HydrophobicContact CG-CD2 3.59Å; F179-L652 HydrophobicContact CZ-CD1 4.03Å; F179-L652 HydrophobicContact CZ-CD2 4.06Å; V182-L652 HydrophobicContact CB-CD2 4.14Å; V182-L652 HydrophobicContact CG1-CB 4.24Å; V182-L652 HydrophobicContact CG1-CD2 4.19Å; V182-L652 HydrophobicContact CG1-CG 4.35Å; V182-L652 HydrophobicContact CG2-CD2 4.27Å; L621-L652 HydrophobicContact CD1-CD1 4.41Å; V629-L652 HydrophobicContact CG1-CB 3.88Å; V629-L652 PolarHBondContact O-N 3.38Å; P650-L652 PolarHBondContact O-N 2.81Å; P650-L652 VanDerWaalsContact O-N 3.09Å; L652-L655 PolarHBondContact O-N 3.4Å; L652-V656 HydrophobicContact CD1-CG2 4.14Å; L652-V656 HydrophobicContact CG-CG2 4.46Å; L652-V656 WeakPolarHBondContact O-CB 3.43Å; L652-V656 VanDerWaalsContact O-CG2 3.28Å; L652-V656 WeakPolarHBondContact O-CG2 3.43Å; L652-V656 PolarHBondContact O-N 3.19Å |
| 653 | A | 91.8 | Very high | 79.7 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.4 | -42.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V182 L186 L649 P650 I651 L655 V656 L657 | V182-A653 HydrophobicContact CG1-CB 3.83Å; L186-A653 HydrophobicContact CD1-CB 3.71Å; L186-A653 HydrophobicContact CD2-CB 3.93Å; L186-A653 HydrophobicContact CG-CB 3.87Å; L649-A653 HydrophobicContact CB-CB 4.06Å; L649-A653 HydrophobicContact CD1-CB 4.24Å; L649-A653 HydrophobicContact CD2-CB 4.34Å; L649-A653 HydrophobicContact CG-CB 4.45Å; P650-A653 WeakPolarHBondContact O-CB 3.41Å; P650-A653 PolarHBondContact O-N 2.55Å; I651-A653 VanDerWaalsContact C-N 3.32Å; I651-A653 PolarHBondContact O-N 2.79Å; A653-L655 VanDerWaalsContact C-N 3.32Å; A653-L655 PolarHBondContact O-N 2.86Å; A653-V656 PolarHBondContact O-N 2.97Å; A653-L657 WeakPolarHBondContact O-CB 3.49Å; A653-L657 VanDerWaalsContact O-CG 3.27Å; A653-L657 WeakPolarHBondContact O-CG 3.33Å; A653-L657 PolarHBondContact O-N 3.27Å |
| 654 | D | 90.3 | Very high | 82 | Confident | 34 Ų | 34 | 30.3 Ų | 30.3 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.9 | -45 | 173 | -69.4 | -24.5 | 0 | 0 | 0 | 111.7 | W46 P650 I651 Y658 | W46-D654 PolarHBondContact NE1-OD2 3.09Å; P650-D654 PolarHBondContact O-N 2.85Å; I651-D654 PolarHBondContact O-N 3Å; D654-Y658 VanDerWaalsContact O-CB 3.25Å; D654-Y658 WeakPolarHBondContact O-CB 3.49Å; D654-Y658 PolarHBondContact O-N 3.25Å |
| 655 | L | 92.1 | Very high | 84.2 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.8 | -37.8 | -177.9 | -69.9 | 170.6 | 0 | 0 | 0 | 112.7 | W46 L621 V629 I651 L652 A653 Y659 | W46-L655 HydrophobicContact CB-CD2 4.44Å; L621-L655 HydrophobicContact CD2-CB 4.44Å; L621-L655 HydrophobicContact CD2-CD1 3.67Å; V629-L655 HydrophobicContact CG1-CD1 4.46Å; I651-L655 HydrophobicContact CG2-CD1 3.92Å; I651-L655 HydrophobicContact CG2-CG 4.41Å; I651-L655 WeakPolarHBondContact O-CG 3.49Å; I651-L655 PolarHBondContact O-N 2.91Å; L652-L655 PolarHBondContact O-N 3.4Å; A653-L655 VanDerWaalsContact C-N 3.32Å; A653-L655 PolarHBondContact O-N 2.86Å; L655-Y659 WeakPolarHBondContact O-CB 3.44Å; L655-Y659 PolarHBondContact O-N 2.92Å |
| 656 | V | 94 | Very high | 86.2 | Confident | 6 Ų | 6 | 30.5 Ų | 30.5 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.5 | -43.3 | 173.6 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | V520 F522 V559 L652 A653 Y659 C660 | V520-V656 HydrophobicContact CG1-CG1 4.45Å; F522-V656 HydrophobicContact CE1-CG2 4.04Å; F522-V656 HydrophobicContact CZ-CG1 4.19Å; F522-V656 HydrophobicContact CZ-CG2 4.02Å; V559-V656 HydrophobicContact CG1-CG2 4.48Å; V559-V656 HydrophobicContact CG2-CG2 4.35Å; L652-V656 HydrophobicContact CD1-CG2 4.14Å; L652-V656 HydrophobicContact CG-CG2 4.46Å; L652-V656 WeakPolarHBondContact O-CB 3.43Å; L652-V656 VanDerWaalsContact O-CG2 3.28Å; L652-V656 WeakPolarHBondContact O-CG2 3.43Å; L652-V656 PolarHBondContact O-N 3.19Å; A653-V656 PolarHBondContact O-N 2.97Å; V656-Y659 PolarHBondContact O-N 3.18Å; V656-C660 PolarHBondContact O-N 2.96Å; V656-C660 PolarHBondContact O-SG 3.15Å |
| 657 | L | 93.6 | Very high | 88.1 | Confident | 8 Ų | 8 | 26.1 Ų | 26.1 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.2 | -38 | 176.9 | -70.5 | 174.6 | 0 | 0 | 0 | 112 | L186 T288 A289 L649 A653 C660 R661 | L186-L657 HydrophobicContact CD2-CD1 4.09Å; T288-L657 HydrophobicContact CG2-CD1 4.01Å; A289-L657 HydrophobicContact CB-CD2 3.85Å; L649-L657 HydrophobicContact CD1-CD1 3.81Å; A653-L657 WeakPolarHBondContact O-CB 3.49Å; A653-L657 VanDerWaalsContact O-CG 3.27Å; A653-L657 WeakPolarHBondContact O-CG 3.33Å; A653-L657 PolarHBondContact O-N 3.27Å; L657-C660 PolarHBondContact O-N 2.98Å; L657-R661 VanDerWaalsContact O-CB 3.32Å; L657-R661 WeakPolarHBondContact O-CB 3.32Å; L657-R661 VanDerWaalsContact O-CG 3.32Å; L657-R661 WeakPolarHBondContact O-CG 3.49Å; L657-R661 PolarHBondContact O-N 3.11Å |
| 658 | Y | 94.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 22.5 Ų | 22.5 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.6 | -47.6 | 170.7 | 176.5 | -91.3 | 0 | 0 | 0 | 111.3 | R45 I87 W613 N617 D654 C660 R661 Y662 F874 | R45-Y658 VanDerWaalsContact CZ-CD2 3.48Å; I87-Y658 WeakPolarHBondContact CG2-OH 3.28Å; W613-Y658 PolarHBondContact NE1-OH 3.48Å; N617-Y658 HydrophobicContact CB-CE1 4.43Å; D654-Y658 VanDerWaalsContact O-CB 3.25Å; D654-Y658 WeakPolarHBondContact O-CB 3.49Å; D654-Y658 PolarHBondContact O-N 3.25Å; Y658-C660 PolarHBondContact O-N 3.43Å; Y658-R661 PolarHBondContact O-N 3.37Å; Y658-Y662 AromaticContact CD2-CD2 3.32Å; Y658-Y662 HydrophobicContact CD2-CD2 3.32Å; Y658-Y662 AromaticContact CD2-CE2 3.46Å; Y658-Y662 HydrophobicContact CD2-CE2 3.46Å; Y658-Y662 VanDerWaalsContact CD2-CE2 3.46Å; Y658-Y662 AromaticContact CE2-CD2 3.35Å; Y658-Y662 HydrophobicContact CE2-CD2 3.35Å; Y658-Y662 AromaticContact CE2-CE2 3.67Å; Y658-Y662 HydrophobicContact CE2-CE2 3.67Å; Y658-Y662 HydrophobicContact CE2-CG 4.21Å; Y658-Y662 AromaticContact CG-CD2 3.94Å; Y658-Y662 HydrophobicContact CG-CD2 3.94Å; Y658-Y662 HydrophobicContact CG-CE2 4.35Å; Y658-Y662 VanDerWaalsContact O-CD2 3.25Å; Y658-Y662 WeakPolarHBondContact O-CD2 3.34Å; Y658-Y662 PolarHBondContact O-N 3Å; Y658-Y662 VanDerWaalsContact O-N 3.09Å; Y658-F874 HydrophobicContact CD1-CE1 4.03Å; Y658-F874 AromaticContact CD1-CZ 3.98Å; Y658-F874 HydrophobicContact CD1-CZ 3.98Å; Y658-F874 AromaticContact CE1-CE1 3.54Å; Y658-F874 HydrophobicContact CE1-CE1 3.54Å; Y658-F874 AromaticContact CE1-CZ 3.71Å; Y658-F874 HydrophobicContact CE1-CZ 3.71Å |
| 659 | Y | 96.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 176 | 174.8 | -144.2 | 0 | 0 | 0 | 111.6 | Y557 F558 V559 Y614 T618 L655 V656 R661 A663 V872 F874 | Y557-Y659 HydrophobicContact CD1-CD1 4.43Å; Y557-Y659 HydrophobicContact CD1-CD2 4.24Å; Y557-Y659 HydrophobicContact CD1-CE1 4.05Å; Y557-Y659 AromaticContact CD1-CE2 3.81Å; Y557-Y659 HydrophobicContact CD1-CE2 3.81Å; Y557-Y659 AromaticContact CD1-CZ 3.69Å; Y557-Y659 HydrophobicContact CE1-CE2 4.47Å; Y557-Y659 HydrophobicContact CG-CE1 4.49Å; F558-Y659 PolarHBondContact N-OH 2.69Å; F558-Y659 VanDerWaalsContact N-OH 3.16Å; F558-Y659 WeakPolarHBondContact O-CE1 3.33Å; V559-Y659 HydrophobicContact CG2-CD1 4.08Å; V559-Y659 HydrophobicContact CG2-CE1 4.1Å; Y614-Y659 HydrophobicContact CD2-CE2 4.03Å; Y614-Y659 HydrophobicContact CE2-CE1 4.32Å; Y614-Y659 HydrophobicContact CE2-CE2 4.29Å; Y614-Y659 AromaticContact CE2-CZ 3.85Å; T618-Y659 HydrophobicContact CG2-CD1 3.83Å; T618-Y659 HydrophobicContact CG2-CE1 3.85Å; T618-Y659 HydrophobicContact CG2-CG 4.41Å; L655-Y659 WeakPolarHBondContact O-CB 3.44Å; L655-Y659 PolarHBondContact O-N 2.92Å; V656-Y659 PolarHBondContact O-N 3.18Å; Y659-R661 PolarHBondContact O-N 2.96Å; Y659-A663 HydrophobicContact CD2-CB 3.56Å; Y659-A663 HydrophobicContact CE2-CB 3.58Å; Y659-A663 WeakPolarHBondContact O-CB 3.34Å; Y659-A663 PolarHBondContact O-N 3.36Å; Y659-V872 VanDerWaalsContact CE2-O 3.3Å; Y659-V872 WeakPolarHBondContact CE2-O 3.48Å; Y659-V872 PolarHBondContact OH-O 3.21Å; Y659-F874 HydrophobicContact CD2-CE1 4.41Å; Y659-F874 AromaticContact CD2-CE2 3.87Å; Y659-F874 HydrophobicContact CD2-CE2 3.87Å; Y659-F874 AromaticContact CD2-CZ 3.77Å; Y659-F874 HydrophobicContact CD2-CZ 3.77Å; Y659-F874 HydrophobicContact CG-CZ 4.35Å |
| 660 | C | 95.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -37.2 | 178.5 | -64 | 0 | 0 | 0 | 0 | 113.6 | R518 V520 Y557 V656 L657 Y658 | R518-C660 PolarHBondContact NE-O 3.45Å; R518-C660 VanDerWaalsContact NE-O 3.1Å; R518-C660 PolarHBondContact NH2-O 3.21Å; V520-C660 VanDerWaalsContact CG2-SG 3.56Å; Y557-C660 PolarHBondContact OH-O 3.29Å; V656-C660 PolarHBondContact O-N 2.96Å; V656-C660 PolarHBondContact O-SG 3.15Å; L657-C660 PolarHBondContact O-N 2.98Å; Y658-C660 PolarHBondContact O-N 3.43Å |
| 661 | R | 94.1 | Very high | 91.3 | Very high | 43 Ų | 43 | 16.9 Ų | 16.9 | 16% | 0.162 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -77.1 | -35.9 | -176.8 | -78.1 | 171.5 | 171 | 167.6 | -3.1 | 114 | L148 E152 P287 L657 Y658 Y659 | L148-R661 HydrophobicContact CD2-CG 4.32Å; E152-R661 VanDerWaalsContact OE1-CG 3.29Å; E152-R661 WeakPolarHBondContact OE1-CG 3.07Å; E152-R661 IonicContact OE1-NE 2.65Å; E152-R661 PolarHBondContact OE1-NE 3.44Å; E152-R661 IonicContact OE2-CZ 2.64Å; E152-R661 IonicContact OE2-NE 3.26Å; E152-R661 PolarHBondContact OE2-NE 2.81Å; E152-R661 IonicContact OE2-NH2 3.07Å; E152-R661 PolarHBondContact OE2-NH2 3.23Å; P287-R661 PolarHBondContact O-NH2 3Å; L657-R661 VanDerWaalsContact O-CB 3.32Å; L657-R661 WeakPolarHBondContact O-CB 3.32Å; L657-R661 VanDerWaalsContact O-CG 3.32Å; L657-R661 WeakPolarHBondContact O-CG 3.49Å; L657-R661 PolarHBondContact O-N 3.11Å; Y658-R661 PolarHBondContact O-N 3.37Å; Y659-R661 PolarHBondContact O-N 2.96Å |
| 662 | Y | 94.1 | Very high | 91.4 | Very high | 26 Ų | 26 | 16.5 Ų | 16.5 | 10% | 0.102 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -115.3 | -3 | -170.4 | -54.7 | -71.3 | 0 | 0 | 0 | 115 | I87 T90 S91 L94 Y658 | I87-Y662 HydrophobicContact CG2-CG 4.47Å; T90-Y662 HydrophobicContact CG2-CD1 4.19Å; T90-Y662 HydrophobicContact CG2-CE1 4.15Å; S91-Y662 WeakPolarHBondContact CA-OH 3.25Å; S91-Y662 WeakPolarHBondContact CB-OH 3.35Å; L94-Y662 HydrophobicContact CD2-CE1 4.2Å; L94-Y662 VanDerWaalsContact CD2-OH 3.32Å; L94-Y662 WeakPolarHBondContact CD2-OH 3.35Å; Y658-Y662 AromaticContact CD2-CD2 3.32Å; Y658-Y662 HydrophobicContact CD2-CD2 3.32Å; Y658-Y662 AromaticContact CD2-CE2 3.46Å; Y658-Y662 HydrophobicContact CD2-CE2 3.46Å; Y658-Y662 VanDerWaalsContact CD2-CE2 3.46Å; Y658-Y662 AromaticContact CE2-CD2 3.35Å; Y658-Y662 HydrophobicContact CE2-CD2 3.35Å; Y658-Y662 AromaticContact CE2-CE2 3.67Å; Y658-Y662 HydrophobicContact CE2-CE2 3.67Å; Y658-Y662 HydrophobicContact CE2-CG 4.21Å; Y658-Y662 AromaticContact CG-CD2 3.94Å; Y658-Y662 HydrophobicContact CG-CD2 3.94Å; Y658-Y662 HydrophobicContact CG-CE2 4.35Å; Y658-Y662 VanDerWaalsContact O-CD2 3.25Å; Y658-Y662 WeakPolarHBondContact O-CD2 3.34Å; Y658-Y662 PolarHBondContact O-N 3Å; Y658-Y662 VanDerWaalsContact O-N 3.09Å |
| 663 | A | 93.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.033 | 10% | 0.103 | C | C | . | . | trans | -90.5 | 121.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y557 Y659 V872 T873 F874 | Y557-A663 HydrophobicContact CE1-CB 3.98Å; Y557-A663 PolarHBondContact OH-O 3.17Å; Y557-A663 VanDerWaalsContact OH-O 3.04Å; Y659-A663 HydrophobicContact CD2-CB 3.56Å; Y659-A663 HydrophobicContact CE2-CB 3.58Å; Y659-A663 WeakPolarHBondContact O-CB 3.34Å; Y659-A663 PolarHBondContact O-N 3.36Å; A663-V872 VanDerWaalsContact C-CG1 3.44Å; A663-V872 HydrophobicContact CB-CG1 4.06Å; A663-V872 WeakPolarHBondContact O-CG1 3.2Å; A663-T873 CarbonylContact C-O 3.6Å; A663-T873 WeakPolarHBondContact CA-O 3.15Å; A663-T873 WeakPolarHBondContact CB-O 3.42Å; A663-F874 HydrophobicContact CB-CD1 3.97Å; A663-F874 HydrophobicContact CB-CE1 4.22Å; A663-F874 HydrophobicContact CB-CG 4.2Å | ||
| 664 | A | 86.9 | Confident | 91.5 | Very high | 57 Ų | 57 | 19 Ų | 19 | 47% | 0.471 | 10% | 0.103 | S | C | . | . | trans | -130.1 | -10.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T873 | A664-T873 PolarHBondContact N-O 3.14Š| ||
| 665 | R | 87.7 | Confident | 91.8 | Very high | 43 Ų | 43 | 20.1 Ų | 20.1 | 16% | 0.162 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.5 | -171.2 | -65.7 | -162.2 | -175.8 | -55.8 | -15.3 | 112.8 | S125 V126 E129 A667 T873 S875 | S125-R665 VanDerWaalsContact CB-NH2 3.33Å; S125-R665 PolarHBondContact O-NH2 2.84Å; S125-R665 VanDerWaalsContact O-NH2 3.14Å; S125-R665 PolarHBondContact OG-NH2 3.18Å; V126-R665 VanDerWaalsContact N-NH2 3.13Å; E129-R665 IonicContact OE1-CZ 3.68Å; E129-R665 IonicContact OE1-NH1 3.99Å; E129-R665 PolarHBondContact OE1-NH1 3.11Å; E129-R665 IonicContact OE1-NH2 3.69Å; E129-R665 PolarHBondContact OE1-NH2 2.86Å; E129-R665 IonicContact OE2-CZ 2.86Å; E129-R665 IonicContact OE2-NH2 3.73Å; E129-R665 PolarHBondContact OE2-NH2 2.94Å; R665-A667 PolarHBondContact O-N 3.09Å; R665-T873 PolarHBondContact N-O 3.16Å; R665-T873 PolarHBondContact O-N 3.36Å; R665-S875 VanDerWaalsContact CD-O 3.26Å; R665-S875 WeakPolarHBondContact CD-O 3.12Å |
| 666 | P | 89.3 | Confident | 91.9 | Very high | 63 Ų | 63 | 20 Ų | 20 | 41% | 0.409 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 116.3 | -177.7 | 29.8 | -33.8 | 0 | 0 | 0 | 112.7 | L668 P870 I871 | P666-L668 HydrophobicContact CB-CD2 4.22Å; P666-L668 PolarHBondContact O-N 3Å; P666-P870 HydrophobicContact CB-CB 3.6Å; P666-I871 CarbonylContact C-O 3.54Å; P666-I871 WeakPolarHBondContact CA-O 3.27Å |
| 667 | A | 89.6 | Confident | 91.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 121.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | L607 L610 R665 I669 I871 T873 | L607-A667 HydrophobicContact CD2-CB 3.64Å; L610-A667 HydrophobicContact CD1-CB 4.25Å; R665-A667 PolarHBondContact O-N 3.09Å; A667-I669 PolarHBondContact O-N 3.22Å; A667-I871 PolarHBondContact N-O 2.85Å; A667-I871 PolarHBondContact O-N 2.98Å; A667-T873 HydrophobicContact CB-CG2 4.1Å |
| 668 | L | 87.8 | Confident | 91.9 | Very high | 36 Ų | 36 | 23.9 Ų | 23.9 | 19% | 0.188 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 92.6 | -173.1 | -64.6 | -175.3 | 0 | 0 | 0 | 111.6 | R502 P504 P666 C868 P870 | R502-L668 HydrophobicContact CB-CB 4.15Å; R502-L668 HydrophobicContact CB-CD1 3.75Å; R502-L668 PolarHBondContact NH1-O 3.23Å; P504-L668 HydrophobicContact CG-CD2 3.92Å; P666-L668 HydrophobicContact CB-CD2 4.22Å; P666-L668 PolarHBondContact O-N 3Å; L668-C868 HydrophobicContact CB-CB 3.73Å; L668-C868 HydrophobicContact CD2-CB 4.4Å; L668-P870 HydrophobicContact CD2-CB 3.89Å |
| 669 | I | 88.4 | Confident | 91.8 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 122.7 | -177.9 | -51.5 | -170.9 | 0 | 0 | 0 | 110.5 | I603 L606 L607 A667 L671 V689 K755 C868 L869 I871 | I603-I669 HydrophobicContact CG2-CD1 3.86Å; L606-I669 HydrophobicContact CD2-CG2 4.3Å; L607-I669 HydrophobicContact CD2-CD1 4.04Å; L607-I669 HydrophobicContact CG-CD1 4.27Å; A667-I669 PolarHBondContact O-N 3.22Å; I669-L671 PolarHBondContact O-N 2.82Å; I669-V689 HydrophobicContact CG2-CG1 3.54Å; I669-K755 VanDerWaalsContact CG2-NZ 3.27Å; I669-C868 CarbonylContact O-C 3.58Å; I669-C868 WeakPolarHBondContact O-CA 3.43Å; I669-C868 VanDerWaalsContact O-CB 3.28Å; I669-C868 WeakPolarHBondContact O-CB 3.49Å; I669-L869 PolarHBondContact N-O 2.88Å; I669-L869 PolarHBondContact O-N 2.93Å; I669-I871 HydrophobicContact CD1-CD1 3.65Å; I669-I871 HydrophobicContact CD1-CG1 4.14Å |
| 670 | Q | 87.5 | Confident | 91.4 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 135.7 | 176.7 | -172.6 | 53 | 53.1 | 0 | 0 | 112.3 | Y672 E768 V835 C836 L867 | Q670-Y672 HydrophobicContact CG-CE2 4.27Å; Q670-E768 HydrophobicContact CB-CB 4.38Å; Q670-E768 WeakPolarHBondContact CB-OE2 3.4Å; Q670-V835 HydrophobicContact CG-CG1 3.99Å; Q670-V835 VanDerWaalsContact NE2-CG1 3.28Å; Q670-C836 PolarHBondContact NE2-O 2.95Å; Q670-L867 PolarHBondContact NE2-O 2.79Å |
| 671 | L | 89.9 | Confident | 91 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -102.6 | 152.5 | 170.8 | -59.5 | -163.1 | 0 | 0 | 0 | 112.7 | I505 A532 I669 V687 V689 C836 L867 L869 | I505-L671 HydrophobicContact CD1-CD1 3.28Å; I505-L671 HydrophobicContact CD1-CG 3.99Å; A532-L671 HydrophobicContact CB-CD1 3.96Å; A532-L671 HydrophobicContact CB-CD2 3.72Å; I669-L671 PolarHBondContact O-N 2.82Å; L671-V687 HydrophobicContact CB-CG1 4.07Å; L671-V687 HydrophobicContact CD1-CG1 3.74Å; L671-V687 HydrophobicContact CG-CG1 4.42Å; L671-V689 HydrophobicContact CD2-CB 4.37Å; L671-V689 HydrophobicContact CD2-CG1 4.16Å; L671-V689 HydrophobicContact CD2-CG2 3.79Å; L671-C836 HydrophobicContact CB-CB 4.2Å; L671-C836 WeakPolarHBondContact O-CB 3.44Å; L671-C836 PolarHBondContact O-N 3.14Å; L671-C836 PolarHBondContact O-SG 3.41Å; L671-L867 PolarHBondContact N-O 3.12Å; L671-L869 HydrophobicContact CD1-CB 4.45Å; L671-L869 HydrophobicContact CD2-CB 3.9Å; L671-L869 HydrophobicContact CG-CB 4.31Å |
| 672 | Y | 90.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147.5 | 175.9 | -58.3 | -91.6 | 0 | 0 | 0 | 110.6 | Q670 V687 F688 E768 L770 S834 V835 C836 | Q670-Y672 HydrophobicContact CG-CE2 4.27Å; Y672-V687 CarbonylContact O-C 3.23Å; Y672-V687 WeakPolarHBondContact O-CA 3.36Å; Y672-F688 VanDerWaalsContact CB-CE1 3.45Å; Y672-F688 VanDerWaalsContact CB-CZ 3.43Å; Y672-F688 HydrophobicContact CD2-CE2 4.26Å; Y672-F688 HydrophobicContact CG-CE2 4.24Å; Y672-F688 HydrophobicContact CG-CZ 4.08Å; Y672-F688 PolarHBondContact N-O 3.12Å; Y672-F688 PolarHBondContact O-N 2.88Å; Y672-E768 PolarHBondContact OH-O 2.93Å; Y672-L770 HydrophobicContact CD1-CD1 3.76Å; Y672-L770 HydrophobicContact CD1-CD2 4.43Å; Y672-L770 HydrophobicContact CD1-CG 4.11Å; Y672-L770 HydrophobicContact CD2-CD2 4.11Å; Y672-L770 HydrophobicContact CE1-CD1 3.86Å; Y672-L770 HydrophobicContact CE1-CD2 4.03Å; Y672-L770 HydrophobicContact CE1-CG 3.68Å; Y672-L770 HydrophobicContact CE2-CD2 3.7Å; Y672-L770 HydrophobicContact CE2-CG 4.3Å; Y672-L770 HydrophobicContact CG-CD1 4.15Å; Y672-L770 HydrophobicContact CG-CD2 4.46Å; Y672-S834 CarbonylContact C-O 3.53Å; Y672-S834 WeakPolarHBondContact CA-O 3.27Å; Y672-V835 HydrophobicContact CD1-CG2 4.13Å; Y672-V835 HydrophobicContact CE1-CG2 3.92Å; Y672-C836 VanDerWaalsContact C-SG 3.54Å |
| 673 | Q | 91.9 | Very high | 90.8 | Very high | 58 Ų | 58 | 42.5 Ų | 42.5 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.7 | 178.8 | 176.6 | 168.2 | -48.6 | 0 | 0 | 109.6 | E675 T685 E686 I833 S834 | Q673-E675 HydrophobicContact CG-CG 4.4Å; Q673-E675 PolarHBondContact NE2-OE1 3.13Å; Q673-T685 HydrophobicContact CG-CG2 3.68Å; Q673-E686 WeakPolarHBondContact CA-O 3.46Å; Q673-I833 WeakPolarHBondContact O-CA 3.46Å; Q673-S834 PolarHBondContact N-O 3.22Å; Q673-S834 PolarHBondContact O-N 3.08Å |
| 674 | A | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 112.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | M676 T685 E686 F688 L692 L817 E832 | A674-M676 HydrophobicContact CB-CE 4.08Å; A674-T685 WeakPolarHBondContact O-CA 3.34Å; A674-E686 PolarHBondContact N-O 2.98Å; A674-E686 PolarHBondContact O-N 3.46Å; A674-F688 HydrophobicContact CB-CD1 4.26Å; A674-F688 HydrophobicContact CB-CE1 4.2Å; A674-L692 HydrophobicContact CB-CD1 3.74Å; A674-L817 HydrophobicContact CB-CD2 4.29Å; A674-E832 CarbonylContact C-O 3.57Å; A674-E832 WeakPolarHBondContact CA-O 3.46Å |
| 675 | E | 95.3 | Very high | 91 | Very high | 57 Ų | 57 | 46.6 Ų | 46.6 | 27% | 0.266 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 118 | 169.6 | -69.6 | -164.3 | -149.9 | 0 | 0 | 109.9 | Q673 R683 T685 C831 E832 | Q673-E675 HydrophobicContact CG-CG 4.4Å; Q673-E675 PolarHBondContact NE2-OE1 3.13Å; E675-R683 IonicContact OE2-CZ 3.83Å; E675-R683 IonicContact OE2-NE 2.73Å; E675-R683 IonicContact OE2-NH1 2.73Å; E675-R683 PolarHBondContact OE2-NH1 3.45Å; E675-T685 HydrophobicContact CG-CG2 3.88Å; E675-C831 CarbonylContact O-C 3.57Å; E675-C831 WeakPolarHBondContact O-CA 3.34Å; E675-E832 PolarHBondContact N-O 3.35Å; E675-E832 PolarHBondContact O-N 3.49Å |
| 676 | M | 94.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.8 | -172.6 | -68.9 | 165.3 | -75.2 | 0 | 0 | 110.2 | A674 R683 R684 E686 V815 L817 L825 V828 R830 C831 | A674-M676 HydrophobicContact CB-CE 4.08Å; M676-R683 CarbonylContact O-C 3.54Å; M676-R683 WeakPolarHBondContact O-CA 3.36Å; M676-R684 PolarHBondContact N-O 2.9Å; M676-R684 PolarHBondContact O-N 3.4Å; M676-E686 HydrophobicContact CE-CB 3.92Å; M676-E686 HydrophobicContact CE-CG 4.15Å; M676-V815 HydrophobicContact SD-CB 4.08Å; M676-V815 HydrophobicContact SD-CG1 3.79Å; M676-V815 HydrophobicContact SD-CG2 4.14Å; M676-L817 HydrophobicContact CE-CD1 4.44Å; M676-L825 HydrophobicContact CE-CD1 3.49Å; M676-L825 VanDerWaalsContact CE-CD1 3.49Å; M676-L825 HydrophobicContact SD-CD1 3.63Å; M676-V828 HydrophobicContact CB-CG1 4.19Å; M676-V828 HydrophobicContact CB-CG2 4.45Å; M676-V828 HydrophobicContact CG-CG1 4.35Å; M676-R830 CarbonylContact C-O 3.53Å; M676-R830 WeakPolarHBondContact CA-O 3.34Å; M676-C831 HydrophobicContact CG-CB 4.13Å |
| 677 | M | 95 | Very high | 91.4 | Very high | 84 Ų | 84 | 43.7 Ų | 43.7 | 41% | 0.414 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.7 | 171 | -173.1 | 174.4 | -76.1 | 0 | 0 | 108.6 | V828 T829 R830 | M677-V828 WeakPolarHBondContact O-CA 3.35Å; M677-T829 PolarHBondContact O-N 2.86Å; M677-T829 PolarHBondContact O-OG1 3.04Å; M677-T829 VanDerWaalsContact O-OG1 3.13Å; M677-R830 HydrophobicContact CB-CB 4.18Å; M677-R830 PolarHBondContact N-O 2.84Å; M677-R830 PolarHBondContact O-N 3.15Å |
| 678 | L | 93.3 | Very high | 91.6 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 157.7 | 176.7 | -68.1 | 166.7 | 0 | 0 | 0 | 110.7 | C680 G681 E682 R684 Q826 V828 | L678-C680 VanDerWaalsContact CB-SG 3.51Å; L678-C680 PolarHBondContact O-N 2.74Å; L678-C680 VanDerWaalsContact O-N 3.1Å; L678-G681 PolarHBondContact O-N 2.89Å; L678-E682 HydrophobicContact CB-CB 4.43Å; L678-E682 HydrophobicContact CD1-CB 4.19Å; L678-E682 PolarHBondContact N-O 3Å; L678-R684 HydrophobicContact CD1-CG 4.13Å; L678-Q826 WeakPolarHBondContact CD2-O 3.34Å; L678-V828 HydrophobicContact CD2-CG2 3.72Å |
| 679 | A | 90.8 | Very high | 91.7 | Very high | 65 Ų | 65 | 42 Ų | 42 | 54% | 0.537 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G681 T812 S827 T829 | A679-G681 VanDerWaalsContact C-N 3.28Å; A679-T812 HydrophobicContact CB-CG2 3.92Å; A679-S827 WeakPolarHBondContact CB-O 3.22Å; A679-S827 PolarHBondContact N-O 3.03Å; A679-T829 HydrophobicContact CB-CG2 4.1Å |
| 680 | C | 88.8 | Confident | 91.8 | Very high | 99 Ų | 99 | 42.1 Ų | 42.1 | 67% | 0.669 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.5 | 171.3 | 56 | 0 | 0 | 0 | 0 | 114.3 | L678 E682 | L678-C680 VanDerWaalsContact CB-SG 3.51Å; L678-C680 PolarHBondContact O-N 2.74Å; L678-C680 VanDerWaalsContact O-N 3.1Å; C680-E682 VanDerWaalsContact C-N 3.29Å; C680-E682 PolarHBondContact O-N 3.36Å; C680-E682 VanDerWaalsContact SG-CB 3.58Å |
| 681 | G | 86.4 | Confident | 92 | Very high | 57 Ų | 57 | 42.1 Ų | 42.1 | 59% | 0.588 | 23% | 0.227 | S | C | * | . | S | Bend | trans | 84.6 | -7.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L678 A679 | L678-G681 PolarHBondContact O-N 2.89Å; A679-G681 VanDerWaalsContact C-N 3.28Å |
| 682 | E | 92.8 | Very high | 92.2 | Very high | 84 Ų | 84 | 42 Ų | 42 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | trans | -65.7 | 132.8 | 175.4 | -169 | -166.6 | 159.2 | 0 | 0 | 111.1 | L678 C680 R684 | L678-E682 HydrophobicContact CB-CB 4.43Å; L678-E682 HydrophobicContact CD1-CB 4.19Å; L678-E682 PolarHBondContact N-O 3Å; C680-E682 VanDerWaalsContact C-N 3.29Å; C680-E682 PolarHBondContact O-N 3.36Å; C680-E682 VanDerWaalsContact SG-CB 3.58Å; E682-R684 VanDerWaalsContact CD-NE 3.31Å; E682-R684 HydrophobicContact CG-CG 4.45Å; E682-R684 WeakPolarHBondContact OE1-CG 3.32Å; E682-R684 IonicContact OE1-CZ 2.72Å; E682-R684 IonicContact OE1-NE 2.67Å; E682-R684 PolarHBondContact OE1-NE 3.4Å; E682-R684 IonicContact OE1-NH2 3.18Å; E682-R684 PolarHBondContact OE1-NH2 3.46Å; E682-R684 IonicContact OE2-CZ 3.19Å; E682-R684 IonicContact OE2-NE 3.27Å; E682-R684 PolarHBondContact OE2-NE 3Å; E682-R684 IonicContact OE2-NH2 2.77Å; E682-R684 PolarHBondContact OE2-NH2 3.16Å | ||
| 683 | R | 92.6 | Very high | 92.4 | Very high | 166 Ų | 166 | 42.8 Ų | 42.8 | 63% | 0.626 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123.2 | 169.3 | -179 | 174.9 | 63.5 | 148.7 | -6 | 110.1 | E675 M676 | E675-R683 IonicContact OE2-CZ 3.83Å; E675-R683 IonicContact OE2-NE 2.73Å; E675-R683 IonicContact OE2-NH1 2.73Å; E675-R683 PolarHBondContact OE2-NH1 3.45Å; M676-R683 CarbonylContact O-C 3.54Å; M676-R683 WeakPolarHBondContact O-CA 3.36Å |
| 684 | R | 91.9 | Very high | 92.5 | Very high | 100 Ų | 100 | 40.1 Ų | 40.1 | 38% | 0.377 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 145.6 | 171.3 | -64.3 | -170.5 | -179.2 | 167.2 | 9.6 | 110.7 | M676 L678 E682 | M676-R684 PolarHBondContact N-O 2.9Å; M676-R684 PolarHBondContact O-N 3.4Å; L678-R684 HydrophobicContact CD1-CG 4.13Å; E682-R684 VanDerWaalsContact CD-NE 3.31Å; E682-R684 HydrophobicContact CG-CG 4.45Å; E682-R684 WeakPolarHBondContact OE1-CG 3.32Å; E682-R684 IonicContact OE1-CZ 2.72Å; E682-R684 IonicContact OE1-NE 2.67Å; E682-R684 PolarHBondContact OE1-NE 3.4Å; E682-R684 IonicContact OE1-NH2 3.18Å; E682-R684 PolarHBondContact OE1-NH2 3.46Å; E682-R684 IonicContact OE2-CZ 3.19Å; E682-R684 IonicContact OE2-NE 3.27Å; E682-R684 PolarHBondContact OE2-NE 3Å; E682-R684 IonicContact OE2-NH2 2.77Å; E682-R684 PolarHBondContact OE2-NH2 3.16Å |
| 685 | T | 91.9 | Very high | 92.3 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 29% | 0.288 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 112.2 | 179.2 | -56.6 | 0 | 0 | 0 | 0 | 109.1 | Q673 A674 E675 | Q673-T685 HydrophobicContact CG-CG2 3.68Å; A674-T685 WeakPolarHBondContact O-CA 3.34Å; E675-T685 HydrophobicContact CG-CG2 3.88Å |
| 686 | E | 92.4 | Very high | 91.9 | Very high | 42 Ų | 42 | 40.2 Ų | 40.2 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 164.6 | -179.3 | -76.8 | -80.1 | -151.8 | 0 | 0 | 110.9 | Q673 A674 M676 L817 K823 | Q673-E686 WeakPolarHBondContact CA-O 3.46Å; A674-E686 PolarHBondContact N-O 2.98Å; A674-E686 PolarHBondContact O-N 3.46Å; M676-E686 HydrophobicContact CE-CB 3.92Å; M676-E686 HydrophobicContact CE-CG 4.15Å; E686-L817 HydrophobicContact CB-CD1 3.39Å; E686-L817 HydrophobicContact CG-CD1 3.96Å; E686-K823 IonicContact OE1-NZ 2.81Å; E686-K823 PolarHBondContact OE1-NZ 3.04Å; E686-K823 IonicContact OE2-NZ 3.43Å |
| 687 | V | 92.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.7 | 179.6 | 174.2 | 0 | 0 | 0 | 0 | 109.7 | R533 L671 Y672 | R533-V687 VanDerWaalsContact CD-O 3.27Å; R533-V687 WeakPolarHBondContact CD-O 3.18Å; R533-V687 HydrophobicContact CG-CB 4.41Å; R533-V687 WeakPolarHBondContact CG-O 3.21Å; L671-V687 HydrophobicContact CB-CG1 4.07Å; L671-V687 HydrophobicContact CD1-CG1 3.74Å; L671-V687 HydrophobicContact CG-CG1 4.42Å; Y672-V687 CarbonylContact O-C 3.23Å; Y672-V687 WeakPolarHBondContact O-CA 3.36Å |
| 688 | F | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 166 | 177.6 | 73.2 | -83.9 | 0 | 0 | 0 | 112.2 | Y672 A674 S691 L692 L770 L817 D818 I833 | Y672-F688 VanDerWaalsContact CB-CE1 3.45Å; Y672-F688 VanDerWaalsContact CB-CZ 3.43Å; Y672-F688 HydrophobicContact CD2-CE2 4.26Å; Y672-F688 HydrophobicContact CG-CE2 4.24Å; Y672-F688 HydrophobicContact CG-CZ 4.08Å; Y672-F688 PolarHBondContact N-O 3.12Å; Y672-F688 PolarHBondContact O-N 2.88Å; A674-F688 HydrophobicContact CB-CD1 4.26Å; A674-F688 HydrophobicContact CB-CE1 4.2Å; F688-S691 WeakPolarHBondContact CD2-O 3.44Å; F688-L692 HydrophobicContact CD1-CD1 4.05Å; F688-L692 HydrophobicContact CD2-CB 4.29Å; F688-L692 HydrophobicContact CE1-CB 4.39Å; F688-L692 HydrophobicContact CE1-CD1 3.62Å; F688-L692 HydrophobicContact CE2-CB 3.96Å; F688-L692 HydrophobicContact CZ-CB 4Å; F688-L692 HydrophobicContact CZ-CD1 3.96Å; F688-L770 HydrophobicContact CE2-CD1 4.25Å; F688-L770 HydrophobicContact CE2-CD2 4.44Å; F688-L770 HydrophobicContact CZ-CD1 3.97Å; F688-L817 HydrophobicContact CB-CB 4.33Å; F688-L817 HydrophobicContact CB-CD2 4.18Å; F688-L817 HydrophobicContact CD1-CD2 4.12Å; F688-L817 HydrophobicContact CG-CD2 4.29Å; F688-D818 WeakPolarHBondContact CA-OD2 3.5Å; F688-D818 VanDerWaalsContact CB-OD2 3.3Å; F688-D818 WeakPolarHBondContact CB-OD2 3.47Å; F688-I833 HydrophobicContact CE1-CG2 3.95Å; F688-I833 HydrophobicContact CZ-CG2 3.76Å |
| 689 | V | 91.1 | Very high | 91 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -121.2 | -46.6 | -170.7 | -164.8 | 0 | 0 | 0 | 0 | 112.6 | A532 I603 I669 L671 K755 D818 | A532-V689 HydrophobicContact CB-CG2 3.2Å; I603-V689 HydrophobicContact CD1-CB 4.45Å; I603-V689 HydrophobicContact CD1-CG1 3.73Å; I603-V689 HydrophobicContact CG1-CG1 4.4Å; I669-V689 HydrophobicContact CG2-CG1 3.54Å; L671-V689 HydrophobicContact CD2-CB 4.37Å; L671-V689 HydrophobicContact CD2-CG1 4.16Å; L671-V689 HydrophobicContact CD2-CG2 3.79Å; V689-K755 VanDerWaalsContact O-CD 3.3Å; V689-K755 WeakPolarHBondContact O-CD 3.47Å; V689-D818 PolarHBondContact N-OD1 2.95Å; V689-D818 PolarHBondContact N-OD2 2.93Å |
| 690 | H | 89.4 | Confident | 90.7 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -109.5 | -52.4 | -166.6 | 172.7 | 40.8 | 0 | 0 | 0 | 111.5 | D525 T600 D602 I603 I754 K755 D818 Q819 | D525-H690 HydrophobicContact CB-CB 4.48Å; D525-H690 IonicContact OD2-CD2 2.67Å; D525-H690 PolarHBondContact OD2-CD2 2.84Å; D525-H690 IonicContact OD2-NE2 2.69Å; D525-H690 PolarHBondContact OD2-NE2 3.39Å; T600-H690 WeakPolarHBondContact CB-NE2 3.5Å; T600-H690 PolarHBondContact OG1-NE2 3.25Å; D602-H690 WeakPolarHBondContact CB-CE1 3.47Å; D602-H690 IonicContact OD2-CE1 3.9Å; D602-H690 PolarHBondContact OD2-CE1 2.6Å; D602-H690 IonicContact OD2-NE2 2.74Å; D602-H690 PolarHBondContact OD2-NE2 3.14Å; I603-H690 HydrophobicContact CD1-CB 3.94Å; I603-H690 HydrophobicContact CG1-CB 3.91Å; H690-I754 WeakPolarHBondContact CE1-CG2 3.44Å; H690-K755 WeakPolarHBondContact O-CB 3.47Å; H690-K755 PolarHBondContact O-N 2.8Å; H690-D818 WeakPolarHBondContact CA-OD1 3.47Å; H690-D818 PolarHBondContact N-OD1 3.23Å; H690-Q819 PolarHBondContact NE2-NE2 2.9Å |
| 691 | S | 92.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 156.6 | -169.1 | 58 | 0 | 0 | 0 | 0 | 114.9 | F688 L753 D818 | F688-S691 WeakPolarHBondContact CD2-O 3.44Å; S691-L753 CarbonylContact C-O 3.49Å; S691-L753 VanDerWaalsContact CA-O 3.25Å; S691-L753 WeakPolarHBondContact CA-O 3.37Å; S691-D818 PolarHBondContact N-OD1 2.82Å; S691-D818 PolarHBondContact O-N 2.99Å |
| 692 | L | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 114.6 | 171.9 | -171.4 | 157.5 | 0 | 0 | 0 | 108.5 | A674 F688 L694 N752 L753 V815 C816 L817 I833 | A674-L692 HydrophobicContact CB-CD1 3.74Å; F688-L692 HydrophobicContact CD1-CD1 4.05Å; F688-L692 HydrophobicContact CD2-CB 4.29Å; F688-L692 HydrophobicContact CE1-CB 4.39Å; F688-L692 HydrophobicContact CE1-CD1 3.62Å; F688-L692 HydrophobicContact CE2-CB 3.96Å; F688-L692 HydrophobicContact CZ-CB 4Å; F688-L692 HydrophobicContact CZ-CD1 3.96Å; L692-L694 HydrophobicContact CD2-CD1 4.2Å; L692-L694 HydrophobicContact CD2-CD2 3.51Å; L692-L694 HydrophobicContact CD2-CG 3.64Å; L692-N752 CarbonylContact O-C 3.55Å; L692-N752 WeakPolarHBondContact O-CA 3.38Å; L692-L753 HydrophobicContact CD2-CD1 4.39Å; L692-L753 PolarHBondContact N-O 2.85Å; L692-L753 PolarHBondContact O-N 2.85Å; L692-V815 HydrophobicContact CD2-CG1 3.92Å; L692-V815 HydrophobicContact CG-CG1 4.08Å; L692-C816 CarbonylContact C-O 3.58Å; L692-C816 WeakPolarHBondContact CA-O 3.25Å; L692-L817 HydrophobicContact CB-CD2 4.33Å; L692-L817 HydrophobicContact CD1-CD2 3.52Å; L692-L817 HydrophobicContact CG-CD2 3.73Å; L692-I833 HydrophobicContact CD1-CD1 3.72Å; L692-I833 HydrophobicContact CD1-CG1 3.98Å; L692-I833 HydrophobicContact CD2-CD1 3.96Å; L692-I833 HydrophobicContact CG-CD1 4.38Å |
| 693 | E | 94.2 | Very high | 90 | Very high | 16 Ų | 16 | 26.7 Ų | 26.7 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 138.2 | -179.6 | -60 | 175.4 | 163.9 | 0 | 0 | 109.8 | A698 R701 V815 C816 | E693-A698 HydrophobicContact CB-CB 4.12Å; E693-R701 IonicContact OE1-CZ 3.44Å; E693-R701 IonicContact OE1-NE 3.43Å; E693-R701 PolarHBondContact OE1-NE 3.19Å; E693-R701 IonicContact OE1-NH2 2.71Å; E693-R701 PolarHBondContact OE1-NH2 2.69Å; E693-R701 IonicContact OE2-CZ 3.09Å; E693-R701 IonicContact OE2-NE 2.74Å; E693-R701 PolarHBondContact OE2-NE 2.76Å; E693-R701 IonicContact OE2-NH2 2.83Å; E693-V815 CarbonylContact O-C 3.59Å; E693-V815 WeakPolarHBondContact O-CA 3.26Å; E693-C816 HydrophobicContact CB-CB 4.19Å; E693-C816 PolarHBondContact N-O 3.42Å; E693-C816 PolarHBondContact O-N 3.46Å |
| 694 | L | 92.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 142.9 | 178.7 | -57.5 | 173.3 | 0 | 0 | 0 | 112.4 | L692 T697 S750 M751 V805 F813 A814 V815 | L692-L694 HydrophobicContact CD2-CD1 4.2Å; L692-L694 HydrophobicContact CD2-CD2 3.51Å; L692-L694 HydrophobicContact CD2-CG 3.64Å; L694-T697 PolarHBondContact O-OG1 2.77Å; L694-S750 VanDerWaalsContact O-CA 3.26Å; L694-S750 WeakPolarHBondContact O-CA 3.44Å; L694-S750 WeakPolarHBondContact O-CB 3.04Å; L694-M751 WeakPolarHBondContact CA-O 3.38Å; L694-M751 HydrophobicContact CB-CB 4.19Å; L694-M751 WeakPolarHBondContact CB-O 3.24Å; L694-M751 HydrophobicContact CD1-CB 4.11Å; L694-M751 PolarHBondContact N-O 2.8Å; L694-M751 PolarHBondContact O-N 2.81Å; L694-M751 VanDerWaalsContact O-N 3.1Å; L694-V805 HydrophobicContact CD1-CB 4.21Å; L694-V805 HydrophobicContact CD1-CG1 4.32Å; L694-V805 HydrophobicContact CD1-CG2 3.71Å; L694-F813 HydrophobicContact CD2-CD2 3.98Å; L694-F813 HydrophobicContact CD2-CE2 3.84Å; L694-A814 WeakPolarHBondContact CA-O 3.48Å; L694-V815 HydrophobicContact CD2-CB 4.06Å; L694-V815 HydrophobicContact CD2-CG1 3.82Å; L694-V815 HydrophobicContact CD2-CG2 3.58Å |
| 695 | G | 90.2 | Very high | 89 | Confident | 8 Ų | 8 | 20.2 Ų | 20.2 | 8% | 0.082 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 78 | -127.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T697 G699 A814 | G695-T697 PolarHBondContact O-N 2.81Å; G695-G699 PolarHBondContact O-N 2.76Å; G695-A814 PolarHBondContact N-O 3.45Å |
| 696 | H | 87.2 | Confident | 88.3 | Confident | 51 Ų | 51 | 21.8 Ų | 21.8 | 24% | 0.236 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.4 | -36.4 | -174.1 | 177.9 | 61 | 0 | 0 | 0 | 113.7 | G699 T700 R719 A721 T749 | H696-G699 PolarHBondContact O-N 2.66Å; H696-T700 PolarHBondContact CE1-OG1 3.33Å; H696-T700 WeakPolarHBondContact O-CB 3.43Å; H696-T700 PolarHBondContact O-N 2.93Å; H696-T700 PolarHBondContact O-OG1 2.85Å; H696-R719 PolarHBondContact CE1-O 3.28Å; H696-A721 HydrophobicContact CB-CB 3.97Å; H696-A721 VanDerWaalsContact CG-CB 3.48Å; H696-T749 WeakPolarHBondContact CB-O 3.46Å; H696-T749 PolarHBondContact N-O 2.89Å |
| 697 | T | 88 | Confident | 87.7 | Confident | 23 Ų | 23 | 21.4 Ų | 21.4 | 14% | 0.141 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.6 | -55.7 | 179.5 | 40.2 | 0 | 0 | 0 | 0 | 111.6 | L694 G695 G699 T700 R701 N752 | L694-T697 PolarHBondContact O-OG1 2.77Å; G695-T697 PolarHBondContact O-N 2.81Å; T697-G699 VanDerWaalsContact C-N 3.29Å; T697-G699 PolarHBondContact O-N 3.02Å; T697-T700 PolarHBondContact O-N 3.47Å; T697-R701 PolarHBondContact O-N 3.43Å; T697-N752 PolarHBondContact OG1-OD1 3.47Å |
| 698 | A | 89.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.4 | -37.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | E693 R701 A702 A814 C816 | E693-A698 HydrophobicContact CB-CB 4.12Å; A698-R701 PolarHBondContact O-N 2.66Å; A698-A702 WeakPolarHBondContact O-CB 3.3Å; A698-A702 PolarHBondContact O-N 3.2Å; A698-A814 HydrophobicContact CB-CB 4.06Å; A698-C816 HydrophobicContact CB-CB 3.81Å |
| 699 | G | 87.4 | Confident | 85.7 | Confident | 21 Ų | 21 | 26.6 Ų | 26.6 | 22% | 0.216 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G695 H696 T697 A702 I703 | G695-G699 PolarHBondContact O-N 2.76Å; H696-G699 PolarHBondContact O-N 2.66Å; T697-G699 VanDerWaalsContact C-N 3.29Å; T697-G699 PolarHBondContact O-N 3.02Å; G699-A702 WeakPolarHBondContact O-CB 3.49Å; G699-A702 PolarHBondContact O-N 3.14Å; G699-I703 WeakPolarHBondContact O-CG1 3.36Å; G699-I703 PolarHBondContact O-N 3.13Å; G699-I703 VanDerWaalsContact O-N 3.08Å |
| 700 | T | 84.6 | Confident | 84.8 | Confident | 13 Ų | 13 | 27.1 Ų | 27.1 | 8% | 0.08 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.4 | -36.8 | 175.6 | -69.1 | 0 | 0 | 0 | 0 | 111.3 | H696 T697 I703 K704 D718 | H696-T700 PolarHBondContact CE1-OG1 3.33Å; H696-T700 WeakPolarHBondContact O-CB 3.43Å; H696-T700 PolarHBondContact O-N 2.93Å; H696-T700 PolarHBondContact O-OG1 2.85Å; T697-T700 PolarHBondContact O-N 3.47Å; T700-I703 PolarHBondContact O-N 3.18Å; T700-K704 HydrophobicContact CG2-CD 4.41Å; T700-K704 WeakPolarHBondContact O-CG 3.41Å; T700-K704 PolarHBondContact O-N 3.3Å; T700-D718 WeakPolarHBondContact CG2-OD1 3.47Å |
| 701 | R | 85.9 | Confident | 83.7 | Confident | 18 Ų | 18 | 34.2 Ų | 34.2 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -40.3 | 170.7 | -165.3 | 178.8 | -68 | -77.1 | 0.5 | 111.9 | G597 E693 T697 A698 I703 K704 A705 C816 Q819 E821 I824 | G597-R701 PolarHBondContact O-NH1 3.49Å; E693-R701 IonicContact OE1-CZ 3.44Å; E693-R701 IonicContact OE1-NE 3.43Å; E693-R701 PolarHBondContact OE1-NE 3.19Å; E693-R701 IonicContact OE1-NH2 2.71Å; E693-R701 PolarHBondContact OE1-NH2 2.69Å; E693-R701 IonicContact OE2-CZ 3.09Å; E693-R701 IonicContact OE2-NE 2.74Å; E693-R701 PolarHBondContact OE2-NE 2.76Å; E693-R701 IonicContact OE2-NH2 2.83Å; T697-R701 PolarHBondContact O-N 3.43Å; A698-R701 PolarHBondContact O-N 2.66Å; R701-I703 VanDerWaalsContact C-N 3.28Å; R701-I703 PolarHBondContact O-N 3.49Å; R701-K704 PolarHBondContact O-N 3.17Å; R701-A705 WeakPolarHBondContact O-CB 3.31Å; R701-A705 PolarHBondContact O-N 2.97Å; R701-C816 VanDerWaalsContact CD-SG 3.54Å; R701-Q819 WeakPolarHBondContact CD-O 3.25Å; R701-Q819 PolarHBondContact NH1-O 2.84Å; R701-E821 HydrophobicContact CG-CG 4.21Å; R701-I824 HydrophobicContact CB-CD1 4.12Å; R701-I824 HydrophobicContact CG-CD1 4.05Å |
| 702 | A | 85.9 | Confident | 82.3 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 12% | 0.116 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A698 G699 M706 I824 | A698-A702 WeakPolarHBondContact O-CB 3.3Å; A698-A702 PolarHBondContact O-N 3.2Å; G699-A702 WeakPolarHBondContact O-CB 3.49Å; G699-A702 PolarHBondContact O-N 3.14Å; A702-M706 PolarHBondContact O-N 2.9Å; A702-I824 VanDerWaalsContact CA-CD1 3.5Å; A702-I824 HydrophobicContact CB-CD1 3.92Å; A702-I824 HydrophobicContact CB-CG2 3.99Å |
| 703 | I | 81.3 | Confident | 80.5 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.5 | -43.1 | 176.6 | -70.6 | 165.9 | 0 | 0 | 0 | 110.6 | G699 T700 R701 M706 S710 I715 R719 | G699-I703 WeakPolarHBondContact O-CG1 3.36Å; G699-I703 PolarHBondContact O-N 3.13Å; G699-I703 VanDerWaalsContact O-N 3.08Å; T700-I703 PolarHBondContact O-N 3.18Å; R701-I703 VanDerWaalsContact C-N 3.28Å; R701-I703 PolarHBondContact O-N 3.49Å; I703-M706 HydrophobicContact CB-CE 4.45Å; I703-M706 HydrophobicContact CG1-CE 4.15Å; I703-M706 PolarHBondContact O-N 3.48Å; I703-S710 VanDerWaalsContact CG2-OG 3.3Å; I703-S710 WeakPolarHBondContact CG2-OG 2.97Å; I703-I715 HydrophobicContact CD1-CG2 4.04Å; I703-I715 HydrophobicContact CG1-CG2 4.17Å; I703-I715 HydrophobicContact CG2-CG2 3.55Å; I703-R719 HydrophobicContact CD1-CG 4.3Å |
| 704 | K | 80.2 | Confident | 78.7 | Confident | 87 Ų | 87 | 53.9 Ų | 53.9 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 175.3 | -69.1 | 173.8 | -175 | -177.6 | 0 | 112 | T596 T700 R701 M706 G707 | T596-K704 PolarHBondContact O-NZ 3.33Å; T700-K704 HydrophobicContact CG2-CD 4.41Å; T700-K704 WeakPolarHBondContact O-CG 3.41Å; T700-K704 PolarHBondContact O-N 3.3Å; R701-K704 PolarHBondContact O-N 3.17Å; K704-M706 PolarHBondContact O-N 3.13Å; K704-G707 WeakPolarHBondContact O-CA 3.49Å; K704-G707 PolarHBondContact O-N 3.35Å |
| 705 | A | 82.4 | Confident | 77.3 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.6 | -26 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R701 G707 E821 | R701-A705 WeakPolarHBondContact O-CB 3.31Å; R701-A705 PolarHBondContact O-N 2.97Å; A705-G707 PolarHBondContact O-N 3.49Å; A705-E821 HydrophobicContact CB-CB 3.79Å; A705-E821 HydrophobicContact CB-CG 4.09Å |
| 706 | M | 78.8 | Confident | 75.4 | Confident | 79 Ų | 79 | 60.3 Ų | 60.3 | 39% | 0.389 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -11.6 | 172.2 | -71.7 | -170.3 | -72.4 | 0 | 0 | 113.6 | A702 I703 K704 A708 A709 I715 | A702-M706 PolarHBondContact O-N 2.9Å; I703-M706 HydrophobicContact CB-CE 4.45Å; I703-M706 HydrophobicContact CG1-CE 4.15Å; I703-M706 PolarHBondContact O-N 3.48Å; K704-M706 PolarHBondContact O-N 3.13Å; M706-A708 PolarHBondContact O-N 3.19Å; M706-A709 HydrophobicContact CB-CB 4.42Å; M706-A709 VanDerWaalsContact O-CB 3.3Å; M706-A709 WeakPolarHBondContact O-CB 3.3Å; M706-A709 PolarHBondContact O-N 2.96Å; M706-I715 HydrophobicContact CE-CD1 4.19Å |
| 707 | G | 79.1 | Confident | 73.9 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | -123.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K704 A705 A709 S710 | K704-G707 WeakPolarHBondContact O-CA 3.49Å; K704-G707 PolarHBondContact O-N 3.35Å; A705-G707 PolarHBondContact O-N 3.49Å; G707-A709 PolarHBondContact O-N 2.94Å; G707-A709 VanDerWaalsContact O-N 3.17Å; G707-S710 WeakPolarHBondContact O-CB 3.41Å; G707-S710 PolarHBondContact O-N 3.18Å; G707-S710 VanDerWaalsContact O-N 3.11Å |
| 708 | A | 72.9 | Confident | 72.3 | Confident | 75 Ų | 75 | 65.3 Ų | 65.3 | 62% | 0.62 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62 | -20.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M706 | M706-A708 PolarHBondContact O-N 3.19Å |
| 709 | A | 72 | Confident | 71 | Confident | 38 Ų | 38 | 72.2 Ų | 72.2 | 31% | 0.314 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -73.4 | -31.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M706 G707 K711 R712 F713 | M706-A709 HydrophobicContact CB-CB 4.42Å; M706-A709 VanDerWaalsContact O-CB 3.3Å; M706-A709 WeakPolarHBondContact O-CB 3.3Å; M706-A709 PolarHBondContact O-N 2.96Å; G707-A709 PolarHBondContact O-N 2.94Å; G707-A709 VanDerWaalsContact O-N 3.17Å; A709-K711 VanDerWaalsContact C-N 3.28Å; A709-K711 PolarHBondContact O-N 3.46Å; A709-R712 WeakPolarHBondContact O-CA 3.3Å; A709-R712 WeakPolarHBondContact O-CB 3.42Å; A709-R712 PolarHBondContact O-N 3.2Å; A709-F713 HydrophobicContact CB-CD2 4.46Å; A709-F713 HydrophobicContact CB-CE2 4.27Å; A709-F713 WeakPolarHBondContact O-CD2 3.26Å; A709-F713 PolarHBondContact O-N 2.86Å |
| 710 | S | 71 | Confident | 70.1 | Confident | 11 Ų | 11 | 75.6 Ų | 75.6 | 8% | 0.077 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -54.8 | -46.3 | 177.3 | -166.3 | 0 | 0 | 0 | 0 | 111.6 | I703 G707 R712 F713 G714 I715 | I703-S710 VanDerWaalsContact CG2-OG 3.3Å; I703-S710 WeakPolarHBondContact CG2-OG 2.97Å; G707-S710 WeakPolarHBondContact O-CB 3.41Å; G707-S710 PolarHBondContact O-N 3.18Å; G707-S710 VanDerWaalsContact O-N 3.11Å; S710-R712 VanDerWaalsContact C-N 3.35Å; S710-R712 PolarHBondContact O-N 2.96Å; S710-F713 PolarHBondContact O-N 3.41Å; S710-G714 PolarHBondContact O-N 3.2Å; S710-I715 CarbonylContact C-O 3.53Å; S710-I715 PolarHBondContact O-N 3.44Å; S710-I715 WeakPolarHBondContact OG-CB 3.28Å; S710-I715 PolarHBondContact OG-O 3.08Å |
| 711 | K | 67.3 | Low | 69.6 | Low | 151 Ų | 151 | 75.7 Ų | 75.7 | 66% | 0.657 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64 | -35.9 | 176.6 | -62.6 | -169.7 | 172.7 | -173.1 | 0 | 112.8 | A709 F713 G714 | A709-K711 VanDerWaalsContact C-N 3.28Å; A709-K711 PolarHBondContact O-N 3.46Å; K711-F713 VanDerWaalsContact C-N 3.32Å; K711-F713 PolarHBondContact O-N 3.48Å; K711-G714 PolarHBondContact O-N 3.29Å |
| 712 | R | 61.8 | Low | 69.3 | Low | 218 Ų | 218 | 79.8 Ų | 79.8 | 82% | 0.823 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.1 | -29.6 | 175.8 | -66.5 | 179 | -178.7 | -164.6 | 0.2 | 112.9 | A709 S710 G714 | A709-R712 WeakPolarHBondContact O-CA 3.3Å; A709-R712 WeakPolarHBondContact O-CB 3.42Å; A709-R712 PolarHBondContact O-N 3.2Å; S710-R712 VanDerWaalsContact C-N 3.35Å; S710-R712 PolarHBondContact O-N 2.96Å; R712-G714 VanDerWaalsContact C-N 3.27Å |
| 713 | F | 58.9 | Low | 69.3 | Low | 150 Ų | 150 | 81.1 Ų | 81.1 | 66% | 0.658 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 6.3 | 173.6 | -69.3 | -63.7 | 0 | 0 | 0 | 113.8 | A709 S710 K711 I715 | A709-F713 HydrophobicContact CB-CD2 4.46Å; A709-F713 HydrophobicContact CB-CE2 4.27Å; A709-F713 WeakPolarHBondContact O-CD2 3.26Å; A709-F713 PolarHBondContact O-N 2.86Å; S710-F713 PolarHBondContact O-N 3.41Å; K711-F713 VanDerWaalsContact C-N 3.32Å; K711-F713 PolarHBondContact O-N 3.48Å; F713-I715 HydrophobicContact CB-CD1 4Å; F713-I715 HydrophobicContact CB-CG1 3.92Å; F713-I715 PolarHBondContact O-N 2.62Å |
| 714 | G | 56.2 | Low | 69.7 | Low | 65 Ų | 65 | 80.8 Ų | 80.8 | 67% | 0.67 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 20.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S710 K711 R712 D716 | S710-G714 PolarHBondContact O-N 3.2Å; K711-G714 PolarHBondContact O-N 3.29Å; R712-G714 VanDerWaalsContact C-N 3.27Å; G714-D716 PolarHBondContact O-N 2.72Å |
| 715 | I | 62.8 | Low | 70.3 | Confident | 21 Ų | 21 | 79.4 Ų | 79.4 | 11% | 0.108 | 45% | 0.448 | C | S | . | . | trans | -94.6 | 82.3 | 176 | -48.7 | 178.6 | 0 | 0 | 0 | 106.9 | I703 M706 S710 F713 R719 | I703-I715 HydrophobicContact CD1-CG2 4.04Å; I703-I715 HydrophobicContact CG1-CG2 4.17Å; I703-I715 HydrophobicContact CG2-CG2 3.55Å; M706-I715 HydrophobicContact CE-CD1 4.19Å; S710-I715 CarbonylContact C-O 3.53Å; S710-I715 PolarHBondContact O-N 3.44Å; S710-I715 WeakPolarHBondContact OG-CB 3.28Å; S710-I715 PolarHBondContact OG-O 3.08Å; F713-I715 HydrophobicContact CB-CD1 4Å; F713-I715 HydrophobicContact CB-CG1 3.92Å; F713-I715 PolarHBondContact O-N 2.62Å; I715-R719 HydrophobicContact CG2-CG 4.29Å | ||
| 716 | D | 49.4 | Very low | 70.8 | Confident | 124 Ų | 124 | 77.6 Ų | 77.6 | 66% | 0.663 | 43% | 0.432 | S | S | * | . | trans | -114.1 | 124 | -178.1 | -139.4 | 17.1 | 0 | 0 | 0 | 109.1 | G714 | G714-D716 PolarHBondContact O-N 2.72Š| ||
| 717 | G | 55.5 | Low | 71.5 | Confident | 57 Ų | 57 | 77.5 Ų | 77.5 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | S | Bend | trans | 79.1 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R719 | G717-R719 PolarHBondContact O-N 3.26Š|
| 718 | D | 56 | Low | 72.2 | Confident | 121 Ų | 121 | 75.8 Ų | 75.8 | 65% | 0.647 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 116.5 | 177.2 | -64.3 | -48.9 | 0 | 0 | 0 | 110.4 | T700 | T700-D718 WeakPolarHBondContact CG2-OD1 3.47Š|
| 719 | R | 62.9 | Low | 73.2 | Confident | 146 Ų | 146 | 73 Ų | 73 | 55% | 0.551 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -62 | 141.2 | 170.6 | -78.3 | -174.6 | 163.9 | -176.1 | -5 | 109.8 | H696 I703 I715 G717 A721 | H696-R719 PolarHBondContact CE1-O 3.28Å; I703-R719 HydrophobicContact CD1-CG 4.3Å; I715-R719 HydrophobicContact CG2-CG 4.29Å; G717-R719 PolarHBondContact O-N 3.26Å; R719-A721 PolarHBondContact O-N 2.92Å; R719-A721 VanDerWaalsContact O-N 3.15Å |
| 720 | E | 66.5 | Low | 74.1 | Confident | 92 Ų | 92 | 71.4 Ų | 71.4 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 125.6 | 175.1 | -167.2 | -171 | 127.5 | 0 | 0 | 110 | V722 Y789 Q791 | E720-V722 PolarHBondContact O-N 3.01Å; E720-V722 VanDerWaalsContact O-N 3.08Å; E720-Y789 WeakPolarHBondContact OE1-CB 3.44Å; E720-Y789 WeakPolarHBondContact OE2-CD2 3.39Å; E720-Q791 PolarHBondContact OE1-NE2 3Å |
| 721 | A | 75.2 | Confident | 74.9 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 12% | 0.124 | 37% | 0.372 | C | S | . | . | trans | -63.8 | 112.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | H696 R719 P723 T749 Q791 | H696-A721 HydrophobicContact CB-CB 3.97Å; H696-A721 VanDerWaalsContact CG-CB 3.48Å; R719-A721 PolarHBondContact O-N 2.92Å; R719-A721 VanDerWaalsContact O-N 3.15Å; A721-P723 VanDerWaalsContact O-CD 3.32Å; A721-P723 WeakPolarHBondContact O-CD 3.05Å; A721-T749 HydrophobicContact CB-CG2 3.49Å; A721-T749 VanDerWaalsContact CB-CG2 3.49Å; A721-Q791 PolarHBondContact O-NE2 3.42Å | ||
| 722 | V | 80.3 | Confident | 75.7 | Confident | 104 Ų | 104 | 68.9 Ų | 68.9 | 63% | 0.63 | 36% | 0.36 | S | S | * | . | trans | -70.8 | 121.9 | 179.6 | -180 | 0 | 0 | 0 | 0 | 108.9 | E720 L724 | E720-V722 PolarHBondContact O-N 3.01Å; E720-V722 VanDerWaalsContact O-N 3.08Å; V722-L724 PolarHBondContact O-N 2.96Å | ||
| 723 | P | 85.8 | Confident | 76.3 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | trans | -69.7 | 128.6 | 175.9 | -19.1 | 33.4 | 0 | 0 | 0 | 111.2 | A721 V747 V777 | A721-P723 VanDerWaalsContact O-CD 3.32Å; A721-P723 WeakPolarHBondContact O-CD 3.05Å; P723-V747 HydrophobicContact CB-CG1 3.62Å; P723-V777 HydrophobicContact CB-CG2 4.01Å; P723-V777 HydrophobicContact CG-CG2 4.17Å | ||
| 724 | L | 89.2 | Confident | 76.8 | Confident | 22 Ų | 22 | 56 Ų | 56 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.8 | -179.2 | -58.4 | 166.6 | 0 | 0 | 0 | 109.4 | V722 L726 V747 C748 T811 F813 | V722-L724 PolarHBondContact O-N 2.96Å; L724-L726 HydrophobicContact CB-CD1 4.36Å; L724-L726 HydrophobicContact CB-CD2 4.06Å; L724-L726 HydrophobicContact CB-CG 4.03Å; L724-L726 PolarHBondContact O-N 3.27Å; L724-V747 CarbonylContact O-C 3.56Å; L724-V747 WeakPolarHBondContact O-CA 3.42Å; L724-C748 WeakPolarHBondContact CB-O 3.1Å; L724-C748 PolarHBondContact N-O 2.72Å; L724-C748 PolarHBondContact O-N 2.82Å; L724-T811 HydrophobicContact CB-CG2 4.27Å; L724-T811 HydrophobicContact CD2-CG2 3.71Å; L724-F813 HydrophobicContact CD1-CB 3.94Å |
| 725 | T | 91.8 | Very high | 76.9 | Confident | 58 Ų | 58 | 60.5 Ų | 60.5 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 111.5 | 171.8 | -52 | 0 | 0 | 0 | 0 | 109 | T745 K746 A808 | T725-T745 HydrophobicContact CG2-CG2 4.12Å; T725-K746 WeakPolarHBondContact CA-O 3.44Å; T725-A808 HydrophobicContact CG2-CB 3.75Å; T725-A808 WeakPolarHBondContact O-CB 3.21Å; T725-A808 PolarHBondContact O-N 2.87Å |
| 726 | L | 93.4 | Very high | 76.6 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.5 | -173.5 | -57.8 | 177.5 | 0 | 0 | 0 | 110.2 | L724 V728 T745 K746 C748 M751 V805 S806 F813 | L724-L726 HydrophobicContact CB-CD1 4.36Å; L724-L726 HydrophobicContact CB-CD2 4.06Å; L724-L726 HydrophobicContact CB-CG 4.03Å; L724-L726 PolarHBondContact O-N 3.27Å; L726-V728 HydrophobicContact CB-CG2 4.31Å; L726-T745 WeakPolarHBondContact O-CA 3.42Å; L726-K746 PolarHBondContact N-O 2.94Å; L726-K746 PolarHBondContact O-N 3.31Å; L726-C748 HydrophobicContact CD1-CB 4.23Å; L726-M751 HydrophobicContact CD1-CG 4.3Å; L726-M751 HydrophobicContact CD1-SD 3.53Å; L726-M751 VanDerWaalsContact CD1-SD 3.53Å; L726-V805 HydrophobicContact CB-CG1 4.21Å; L726-V805 HydrophobicContact CD1-CG1 4.04Å; L726-V805 HydrophobicContact CD2-CG1 4.27Å; L726-V805 HydrophobicContact CG-CG1 4.4Å; L726-S806 WeakPolarHBondContact CA-O 3.46Å; L726-F813 HydrophobicContact CD2-CD1 3.85Å; L726-F813 HydrophobicContact CD2-CE1 4.15Å |
| 727 | E | 94.1 | Very high | 77 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 36% | 0.36 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 119.8 | 160.3 | -72 | -170.7 | -145.5 | 0 | 0 | 108.8 | R743 T745 S806 | E727-R743 IonicContact OE2-NH1 3.68Å; E727-R743 PolarHBondContact OE2-NH1 3Å; E727-T745 HydrophobicContact CG-CG2 4.29Å; E727-S806 PolarHBondContact N-O 2.98Å; E727-S806 PolarHBondContact O-N 2.79Å |
| 728 | V | 93.5 | Very high | 77.5 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.8 | 178 | -164.9 | 0 | 0 | 0 | 0 | 109.2 | L726 Y730 R743 E744 M751 V803 V805 | L726-V728 HydrophobicContact CB-CG2 4.31Å; V728-Y730 HydrophobicContact CB-CD1 4.47Å; V728-Y730 HydrophobicContact CG1-CD1 3.83Å; V728-R743 WeakPolarHBondContact O-CA 3.41Å; V728-E744 PolarHBondContact N-O 2.24Å; V728-E744 PolarHBondContact O-N 3.35Å; V728-M751 HydrophobicContact CB-CE 4.32Å; V728-M751 HydrophobicContact CG1-CE 3.67Å; V728-M751 HydrophobicContact CG2-CE 3.61Å; V728-M751 HydrophobicContact CG2-SD 3.76Å; V728-V803 HydrophobicContact CG1-CG1 4.2Å; V728-V805 HydrophobicContact CG1-CG2 4.46Å |
| 729 | V | 94 | Very high | 78.3 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 10% | 0.097 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.3 | 167.1 | -177.1 | 0 | 0 | 0 | 0 | 107.2 | W741 K742 R743 V803 Q804 | V729-W741 HydrophobicContact CG1-CE3 3.92Å; V729-W741 HydrophobicContact CG1-CZ3 4.08Å; V729-K742 CarbonylContact C-O 3.55Å; V729-K742 VanDerWaalsContact CA-O 3.3Å; V729-K742 WeakPolarHBondContact CA-O 3.47Å; V729-R743 HydrophobicContact CG2-CB 4.22Å; V729-R743 HydrophobicContact CG2-CG 4.03Å; V729-V803 CarbonylContact O-C 3.59Å; V729-V803 WeakPolarHBondContact O-CA 3.41Å; V729-Q804 HydrophobicContact CB-CB 4.32Å; V729-Q804 PolarHBondContact N-O 2.74Å; V729-Q804 PolarHBondContact O-N 3.19Å |
| 730 | Y | 91.1 | Very high | 79.2 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 148.1 | 179.2 | 62.1 | -88 | 0 | 0 | 0 | 111.6 | V728 R732 K742 E744 L772 V798 V800 K802 | V728-Y730 HydrophobicContact CB-CD1 4.47Å; V728-Y730 HydrophobicContact CG1-CD1 3.83Å; Y730-R732 HydrophobicContact CD2-CB 4.34Å; Y730-R732 HydrophobicContact CE2-CB 4.28Å; Y730-K742 HydrophobicContact CD1-CB 4.37Å; Y730-K742 HydrophobicContact CD2-CB 4.36Å; Y730-K742 HydrophobicContact CE1-CB 4.09Å; Y730-K742 HydrophobicContact CE1-CD 4.4Å; Y730-K742 HydrophobicContact CE2-CB 4.06Å; Y730-K742 HydrophobicContact CE2-CD 3.57Å; Y730-K742 HydrophobicContact CE2-CG 4.34Å; Y730-K742 PolarHBondContact N-O 3.4Å; Y730-K742 PolarHBondContact O-N 2.68Å; Y730-K742 VanDerWaalsContact OH-CD 3.27Å; Y730-K742 WeakPolarHBondContact OH-CD 3.49Å; Y730-K742 PolarHBondContact OH-NZ 2.82Å; Y730-E744 HydrophobicContact CE1-CG 4.39Å; Y730-E744 WeakPolarHBondContact CE1-OE2 3.37Å; Y730-E744 VanDerWaalsContact OH-CD 3.23Å; Y730-E744 PolarHBondContact OH-OE1 2.71Å; Y730-E744 PolarHBondContact OH-OE2 3.09Å; Y730-L772 HydrophobicContact CD1-CD2 4.43Å; Y730-L772 HydrophobicContact CG-CD2 4.29Å; Y730-V798 HydrophobicContact CD2-CG1 4.31Å; Y730-V798 HydrophobicContact CE2-CB 4.4Å; Y730-V798 HydrophobicContact CE2-CG1 3.88Å; Y730-V798 HydrophobicContact CE2-CG2 4.22Å; Y730-V800 HydrophobicContact CD2-CG1 3.81Å; Y730-V800 HydrophobicContact CG-CG1 4.36Å; Y730-K802 WeakPolarHBondContact CA-O 3.4Å |
| 731 | N | 86.7 | Confident | 80.1 | Confident | 6 Ų | 6 | 65.5 Ų | 65.5 | 3% | 0.032 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 108.9 | 172.8 | -175.7 | 41 | 0 | 0 | 0 | 108.9 | S739 Q740 W741 V800 D801 K802 | N731-S739 WeakPolarHBondContact OD1-CB 3.47Å; N731-Q740 VanDerWaalsContact OD1-C 3.26Å; N731-Q740 PolarHBondContact OD1-N 2.84Å; N731-W741 HydrophobicContact CB-CD2 3.76Å; N731-W741 HydrophobicContact CB-CE3 3.82Å; N731-W741 HydrophobicContact CB-CG 4.39Å; N731-W741 HydrophobicContact CB-CH2 3.98Å; N731-W741 HydrophobicContact CB-CZ2 3.89Å; N731-W741 HydrophobicContact CB-CZ3 3.93Å; N731-W741 PolarHBondContact OD1-N 3.42Å; N731-V800 WeakPolarHBondContact O-CA 3.42Å; N731-V800 WeakPolarHBondContact O-CB 3.19Å; N731-D801 WeakPolarHBondContact CB-OD1 3.3Å; N731-D801 VanDerWaalsContact CG-OD1 3.32Å; N731-D801 VanDerWaalsContact ND2-CG 3.29Å; N731-D801 PolarHBondContact ND2-OD1 3.36Å; N731-D801 PolarHBondContact ND2-OD2 3.28Å; N731-D801 VanDerWaalsContact ND2-OD2 3.07Å; N731-D801 PolarHBondContact O-N 3.26Å; N731-K802 HydrophobicContact CB-CB 4.46Å; N731-K802 PolarHBondContact N-O 3.07Å |
| 732 | R | 84.7 | Confident | 80.9 | Confident | 104 Ų | 104 | 67.7 Ų | 67.7 | 39% | 0.392 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 124.7 | -178.6 | 178.1 | 174.9 | -166.6 | -167.1 | 9.4 | 109.9 | Y730 V734 S739 Q740 V798 | Y730-R732 HydrophobicContact CD2-CB 4.34Å; Y730-R732 HydrophobicContact CE2-CB 4.28Å; R732-V734 HydrophobicContact CG-CG2 4.42Å; R732-S739 CarbonylContact O-C 3.58Å; R732-S739 VanDerWaalsContact O-CA 3.3Å; R732-S739 WeakPolarHBondContact O-CA 3.33Å; R732-Q740 PolarHBondContact N-O 2.81Å; R732-Q740 PolarHBondContact O-N 3.28Å; R732-V798 HydrophobicContact CB-CG1 4.06Å; R732-V798 HydrophobicContact CG-CG1 3.59Å |
| 733 | V | 75.4 | Confident | 81.4 | Confident | 37 Ų | 37 | 70.4 Ų | 70.4 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127.7 | 170.7 | -176 | 0 | 0 | 0 | 0 | 108.8 | K799 D801 | V733-K799 PolarHBondContact N-O 2.92Å; V733-D801 HydrophobicContact CG2-CB 3.96Å |
| 734 | V | 68.1 | Low | 81.7 | Confident | 60 Ų | 60 | 70.6 Ų | 70.6 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | trans | -106.4 | 148.4 | 173.3 | -173 | 0 | 0 | 0 | 0 | 109 | R732 S736 G737 R738 | R732-V734 HydrophobicContact CG-CG2 4.42Å; V734-S736 PolarHBondContact O-N 3.38Å; V734-G737 PolarHBondContact O-N 3.2Å; V734-R738 PolarHBondContact N-O 2.76Å | ||
| 735 | V | 59.6 | Low | 81.8 | Confident | 159 Ų | 159 | 73.9 Ų | 73.9 | 96% | 0.964 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -26.6 | -178.8 | -175.5 | 0 | 0 | 0 | 0 | 113.5 | G737 | V735-G737 PolarHBondContact O-N 3.35Å; V735-G737 VanDerWaalsContact O-N 3.13Å |
| 736 | S | 55.4 | Low | 81.7 | Confident | 79 Ų | 79 | 72.4 Ų | 72.4 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 9.2 | 173.8 | 57.1 | 0 | 0 | 0 | 0 | 115.3 | V734 R738 | V734-S736 PolarHBondContact O-N 3.38Å; S736-R738 PolarHBondContact O-N 2.95Å; S736-R738 VanDerWaalsContact O-N 3.15Å |
| 737 | G | 58.7 | Low | 81.6 | Confident | 66 Ų | 66 | 75 Ų | 75 | 68% | 0.68 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 69.6 | 1.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V734 V735 | V734-G737 PolarHBondContact O-N 3.2Å; V735-G737 PolarHBondContact O-N 3.35Å; V735-G737 VanDerWaalsContact O-N 3.13Å |
| 738 | R | 66 | Low | 81.4 | Confident | 183 Ų | 183 | 71.4 Ų | 71.4 | 69% | 0.691 | 37% | 0.37 | S | S | * | . | trans | -82.3 | 130 | 178.7 | -61.5 | -176.5 | -173.7 | -178.9 | 1.6 | 109.7 | V734 S736 | V734-R738 PolarHBondContact N-O 2.76Å; S736-R738 PolarHBondContact O-N 2.95Å; S736-R738 VanDerWaalsContact O-N 3.15Å | ||
| 739 | S | 71.5 | Confident | 81.2 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 52% | 0.524 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 145.3 | 175.1 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | N731 R732 | N731-S739 WeakPolarHBondContact OD1-CB 3.47Å; R732-S739 CarbonylContact O-C 3.58Å; R732-S739 VanDerWaalsContact O-CA 3.3Å; R732-S739 WeakPolarHBondContact O-CA 3.33Å |
| 740 | Q | 81.6 | Confident | 81 | Confident | 110 Ų | 110 | 71.2 Ų | 71.2 | 51% | 0.514 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 114.3 | 176 | -174.5 | -177.7 | 15.1 | 0 | 0 | 111.1 | N731 R732 | N731-Q740 VanDerWaalsContact OD1-C 3.26Å; N731-Q740 PolarHBondContact OD1-N 2.84Å; R732-Q740 PolarHBondContact N-O 2.81Å; R732-Q740 PolarHBondContact O-N 3.28Å |
| 741 | W | 86.8 | Confident | 81.1 | Confident | 153 Ų | 153 | 71 Ų | 71 | 58% | 0.58 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 132.1 | 168.5 | -71.4 | 94.7 | 0 | 0 | 0 | 111.4 | V729 N731 K802 | V729-W741 HydrophobicContact CG1-CE3 3.92Å; V729-W741 HydrophobicContact CG1-CZ3 4.08Å; N731-W741 HydrophobicContact CB-CD2 3.76Å; N731-W741 HydrophobicContact CB-CE3 3.82Å; N731-W741 HydrophobicContact CB-CG 4.39Å; N731-W741 HydrophobicContact CB-CH2 3.98Å; N731-W741 HydrophobicContact CB-CZ2 3.89Å; N731-W741 HydrophobicContact CB-CZ3 3.93Å; N731-W741 PolarHBondContact OD1-N 3.42Å; W741-K802 HydrophobicContact CH2-CB 3.85Å; W741-K802 HydrophobicContact CH2-CD 4Å; W741-K802 HydrophobicContact CZ2-CD 4.25Å; W741-K802 HydrophobicContact CZ3-CB 4.46Å |
| 742 | K | 90.4 | Very high | 81.3 | Confident | 61 Ų | 61 | 72 Ų | 72 | 27% | 0.265 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.5 | 172.6 | -76.9 | -177.2 | 144.4 | -146 | 0 | 109.8 | V729 Y730 E744 | V729-K742 CarbonylContact C-O 3.55Å; V729-K742 VanDerWaalsContact CA-O 3.3Å; V729-K742 WeakPolarHBondContact CA-O 3.47Å; Y730-K742 HydrophobicContact CD1-CB 4.37Å; Y730-K742 HydrophobicContact CD2-CB 4.36Å; Y730-K742 HydrophobicContact CE1-CB 4.09Å; Y730-K742 HydrophobicContact CE1-CD 4.4Å; Y730-K742 HydrophobicContact CE2-CB 4.06Å; Y730-K742 HydrophobicContact CE2-CD 3.57Å; Y730-K742 HydrophobicContact CE2-CG 4.34Å; Y730-K742 PolarHBondContact N-O 3.4Å; Y730-K742 PolarHBondContact O-N 2.68Å; Y730-K742 VanDerWaalsContact OH-CD 3.27Å; Y730-K742 WeakPolarHBondContact OH-CD 3.49Å; Y730-K742 PolarHBondContact OH-NZ 2.82Å; K742-E744 WeakPolarHBondContact CE-OE1 3.1Å; K742-E744 IonicContact NZ-OE1 2.66Å; K742-E744 PolarHBondContact NZ-OE1 2.43Å |
| 743 | R | 92.1 | Very high | 81.7 | Confident | 161 Ų | 161 | 67.1 Ų | 67.1 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 119 | 168.3 | 175.5 | -179.3 | -67.6 | -98.8 | 1 | 107.3 | E727 V728 V729 | E727-R743 IonicContact OE2-NH1 3.68Å; E727-R743 PolarHBondContact OE2-NH1 3Å; V728-R743 WeakPolarHBondContact O-CA 3.41Å; V729-R743 HydrophobicContact CG2-CB 4.22Å; V729-R743 HydrophobicContact CG2-CG 4.03Å |
| 744 | E | 91.3 | Very high | 82.3 | Confident | 47 Ų | 47 | 67.8 Ų | 67.8 | 22% | 0.22 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125 | -175.5 | -65.4 | 177.2 | 171.5 | 0 | 0 | 108.7 | V728 Y730 K742 K746 | V728-E744 PolarHBondContact N-O 2.24Å; V728-E744 PolarHBondContact O-N 3.35Å; Y730-E744 HydrophobicContact CE1-CG 4.39Å; Y730-E744 WeakPolarHBondContact CE1-OE2 3.37Å; Y730-E744 VanDerWaalsContact OH-CD 3.23Å; Y730-E744 PolarHBondContact OH-OE1 2.71Å; Y730-E744 PolarHBondContact OH-OE2 3.09Å; K742-E744 WeakPolarHBondContact CE-OE1 3.1Å; K742-E744 IonicContact NZ-OE1 2.66Å; K742-E744 PolarHBondContact NZ-OE1 2.43Å; E744-K746 HydrophobicContact CB-CG 4.4Å; E744-K746 VanDerWaalsContact OE2-CE 3.22Å; E744-K746 WeakPolarHBondContact OE2-CE 3.49Å; E744-K746 IonicContact OE2-NZ 3.41Å; E744-K746 PolarHBondContact OE2-NZ 2.84Å |
| 745 | T | 91.1 | Very high | 83.2 | Confident | 91 Ų | 91 | 65 Ų | 65 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.5 | 169.9 | -50.2 | 0 | 0 | 0 | 0 | 108.3 | T725 L726 E727 | T725-T745 HydrophobicContact CG2-CG2 4.12Å; L726-T745 WeakPolarHBondContact O-CA 3.42Å; E727-T745 HydrophobicContact CG-CG2 4.29Å |
| 746 | K | 90.1 | Very high | 83.6 | Confident | 26 Ų | 26 | 58.1 Ų | 58.1 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 156.7 | -173.9 | -67.9 | -177.5 | 168.5 | -168 | 0 | 111.3 | T725 L726 E744 M774 E776 T796 | T725-K746 WeakPolarHBondContact CA-O 3.44Å; L726-K746 PolarHBondContact N-O 2.94Å; L726-K746 PolarHBondContact O-N 3.31Å; E744-K746 HydrophobicContact CB-CG 4.4Å; E744-K746 VanDerWaalsContact OE2-CE 3.22Å; E744-K746 WeakPolarHBondContact OE2-CE 3.49Å; E744-K746 IonicContact OE2-NZ 3.41Å; E744-K746 PolarHBondContact OE2-NZ 2.84Å; K746-M774 HydrophobicContact CD-SD 3.9Å; K746-M774 PolarHBondContact NZ-SD 3.15Å; K746-M774 VanDerWaalsContact NZ-SD 3.38Å; K746-E776 HydrophobicContact CD-CG 4.09Å; K746-E776 WeakPolarHBondContact CE-OE1 3.48Å; K746-E776 WeakPolarHBondContact CE-OE2 3.42Å; K746-E776 IonicContact NZ-OE1 3.63Å; K746-E776 PolarHBondContact NZ-OE1 3.32Å; K746-E776 IonicContact NZ-OE2 3.87Å; K746-T796 PolarHBondContact NZ-OG1 2.86Å |
| 747 | V | 91.1 | Very high | 84.1 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 37% | 0.37 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 105.7 | 169.9 | 179.8 | 0 | 0 | 0 | 0 | 107.1 | P723 L724 E776 V777 | P723-V747 HydrophobicContact CB-CG1 3.62Å; L724-V747 CarbonylContact O-C 3.56Å; L724-V747 WeakPolarHBondContact O-CA 3.42Å; V747-E776 CarbonylContact O-C 3.58Å; V747-E776 WeakPolarHBondContact O-CA 3.4Å; V747-V777 HydrophobicContact CG1-CB 4.26Å; V747-V777 PolarHBondContact O-N 2.97Å |
| 748 | C | 90.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.1 | -172.1 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | L724 L726 M751 T775 | L724-C748 WeakPolarHBondContact CB-O 3.1Å; L724-C748 PolarHBondContact N-O 2.72Å; L724-C748 PolarHBondContact O-N 2.82Å; L726-C748 HydrophobicContact CD1-CB 4.23Å; C748-M751 HydrophobicContact CB-CG 4.21Å; C748-T775 CarbonylContact C-O 3.6Å; C748-T775 WeakPolarHBondContact CA-O 3.07Å; C748-T775 WeakPolarHBondContact CB-O 3.49Å |
| 749 | T | 88.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -39.8 | 166.1 | 45.6 | 0 | 0 | 0 | 0 | 111.4 | H696 A721 T775 V777 L793 | H696-T749 WeakPolarHBondContact CB-O 3.46Å; H696-T749 PolarHBondContact N-O 2.89Å; A721-T749 HydrophobicContact CB-CG2 3.49Å; A721-T749 VanDerWaalsContact CB-CG2 3.49Å; T749-T775 PolarHBondContact N-O 2.93Å; T749-T775 WeakPolarHBondContact OG1-CB 3.33Å; T749-T775 VanDerWaalsContact OG1-CG2 3.3Å; T749-T775 WeakPolarHBondContact OG1-CG2 3.42Å; T749-T775 PolarHBondContact OG1-O 2.82Å; T749-V777 HydrophobicContact CG2-CG2 3.74Å; T749-L793 HydrophobicContact CG2-CD2 4.12Å |
| 750 | S | 90.4 | Very high | 83.6 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.063 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 155.4 | 179.8 | 41 | 0 | 0 | 0 | 0 | 112 | L694 T775 | L694-S750 VanDerWaalsContact O-CA 3.26Å; L694-S750 WeakPolarHBondContact O-CA 3.44Å; L694-S750 WeakPolarHBondContact O-CB 3.04Å; S750-T775 PolarHBondContact O-N 3.18Å; S750-T775 WeakPolarHBondContact OG-CB 3.08Å; S750-T775 PolarHBondContact OG-OG1 3.16Å |
| 751 | M | 92.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 125.5 | 167.5 | -64.8 | 175.8 | 52.5 | 0 | 0 | 108.1 | L694 L726 V728 C748 L772 T773 M774 V805 | L694-M751 WeakPolarHBondContact CA-O 3.38Å; L694-M751 HydrophobicContact CB-CB 4.19Å; L694-M751 WeakPolarHBondContact CB-O 3.24Å; L694-M751 HydrophobicContact CD1-CB 4.11Å; L694-M751 PolarHBondContact N-O 2.8Å; L694-M751 PolarHBondContact O-N 2.81Å; L694-M751 VanDerWaalsContact O-N 3.1Å; L726-M751 HydrophobicContact CD1-CG 4.3Å; L726-M751 HydrophobicContact CD1-SD 3.53Å; L726-M751 VanDerWaalsContact CD1-SD 3.53Å; V728-M751 HydrophobicContact CB-CE 4.32Å; V728-M751 HydrophobicContact CG1-CE 3.67Å; V728-M751 HydrophobicContact CG2-CE 3.61Å; V728-M751 HydrophobicContact CG2-SD 3.76Å; C748-M751 HydrophobicContact CB-CG 4.21Å; M751-L772 HydrophobicContact CE-CD1 3.87Å; M751-T773 CarbonylContact C-O 3.58Å; M751-T773 WeakPolarHBondContact CA-O 3.44Å; M751-M774 HydrophobicContact CE-CG 4.01Å; M751-M774 HydrophobicContact CE-SD 4.36Å; M751-M774 HydrophobicContact CG-CB 4.43Å; M751-M774 HydrophobicContact CG-CG 4.02Å; M751-M774 HydrophobicContact SD-CG 4.42Å; M751-V805 HydrophobicContact CE-CG1 4.4Å; M751-V805 HydrophobicContact CE-CG2 3.66Å; M751-V805 HydrophobicContact SD-CG1 4.16Å; M751-V805 HydrophobicContact SD-CG2 4.44Å |
| 752 | N | 92.1 | Very high | 80.9 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.8 | 177.6 | -60.1 | -22 | 0 | 0 | 0 | 108.8 | L692 T697 I754 L772 T773 | L692-N752 CarbonylContact O-C 3.55Å; L692-N752 WeakPolarHBondContact O-CA 3.38Å; T697-N752 PolarHBondContact OG1-OD1 3.47Å; N752-I754 HydrophobicContact CB-CG1 4.37Å; N752-L772 WeakPolarHBondContact O-CA 3.5Å; N752-T773 PolarHBondContact N-O 2.96Å; N752-T773 PolarHBondContact O-N 2.77Å |
| 753 | L | 92.1 | Very high | 79.3 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.3 | 162.7 | -67.9 | 85.5 | 0 | 0 | 0 | 107.3 | S691 L692 L770 Q771 L772 V800 V803 I833 | S691-L753 CarbonylContact C-O 3.49Å; S691-L753 VanDerWaalsContact CA-O 3.25Å; S691-L753 WeakPolarHBondContact CA-O 3.37Å; L692-L753 HydrophobicContact CD2-CD1 4.39Å; L692-L753 PolarHBondContact N-O 2.85Å; L692-L753 PolarHBondContact O-N 2.85Å; L753-L770 HydrophobicContact CB-CB 4.3Å; L753-L770 HydrophobicContact CB-CD1 4.16Å; L753-L770 HydrophobicContact CD2-CB 4.17Å; L753-L770 HydrophobicContact CD2-CD1 3.64Å; L753-Q771 WeakPolarHBondContact CA-O 3.27Å; L753-L772 HydrophobicContact CD1-CD1 3.76Å; L753-L772 HydrophobicContact CG-CB 4.42Å; L753-L772 HydrophobicContact CG-CD1 3.87Å; L753-V800 HydrophobicContact CD2-CG2 4.47Å; L753-V803 HydrophobicContact CD2-CB 4.15Å; L753-V803 HydrophobicContact CD2-CG2 3.76Å; L753-I833 HydrophobicContact CD1-CD1 3.61Å; L753-I833 HydrophobicContact CD2-CD1 3.67Å; L753-I833 HydrophobicContact CD2-CG2 4.18Å; L753-I833 HydrophobicContact CG-CD1 4.25Å |
| 754 | I | 88.9 | Confident | 77.4 | Confident | 51 Ų | 51 | 47.6 Ų | 47.6 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 138.9 | 178.9 | -55.6 | 177.9 | 0 | 0 | 0 | 108 | H690 N752 Q771 | H690-I754 WeakPolarHBondContact CE1-CG2 3.44Å; N752-I754 HydrophobicContact CB-CG1 4.37Å; I754-Q771 PolarHBondContact N-O 2.84Å; I754-Q771 PolarHBondContact O-N 2.85Å |
| 755 | K | 85.4 | Confident | 75.3 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132.5 | 174.6 | -169.9 | 179 | 172.9 | 165.7 | 0 | 109.9 | I669 V689 H690 C757 E768 L770 | I669-K755 VanDerWaalsContact CG2-NZ 3.27Å; V689-K755 VanDerWaalsContact O-CD 3.3Å; V689-K755 WeakPolarHBondContact O-CD 3.47Å; H690-K755 WeakPolarHBondContact O-CB 3.47Å; H690-K755 PolarHBondContact O-N 2.8Å; K755-C757 VanDerWaalsContact CD-SG 3.6Å; K755-C757 WeakPolarHBondContact CG-SG 3.44Å; K755-C757 PolarHBondContact O-N 3.01Å; K755-E768 WeakPolarHBondContact CE-OE2 3.33Å; K755-E768 IonicContact NZ-OE1 3.34Å; K755-E768 IonicContact NZ-OE2 3.4Å; K755-E768 PolarHBondContact NZ-OE2 3Å; K755-L770 HydrophobicContact CB-CD2 4.25Å |
| 756 | A | 69.2 | Low | 73.5 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 12% | 0.116 | 27% | 0.271 | C | S | . | . | trans | -66.2 | 103.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109.4 | E762 | A756-E762 HydrophobicContact CB-CB 4.12Å; A756-E762 HydrophobicContact CB-CG 4.39Å | ||
| 757 | C | 65.6 | Low | 71.8 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | trans | -137.2 | 21.2 | -171.6 | -70.3 | 0 | 0 | 0 | 0 | 112.1 | D602 L606 M609 K755 | D602-C757 HydrophobicContact CB-CB 4.38Å; L606-C757 HydrophobicContact CB-CB 4.25Å; M609-C757 VanDerWaalsContact CE-C 3.49Å; M609-C757 WeakPolarHBondContact CE-O 3.43Å; K755-C757 VanDerWaalsContact CD-SG 3.6Å; K755-C757 WeakPolarHBondContact CG-SG 3.44Å; K755-C757 PolarHBondContact O-N 3.01Å | ||
| 758 | K | 62.7 | Low | 70.6 | Confident | 121 Ų | 121 | 51.5 Ų | 51.5 | 53% | 0.526 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -119.3 | -22.4 | -166.3 | -56.5 | -159.6 | -179.7 | -146.9 | 0 | 114.8 | D602 E762 | D602-K758 VanDerWaalsContact CG-CE 3.46Å; D602-K758 VanDerWaalsContact CG-NZ 3.27Å; D602-K758 WeakPolarHBondContact OD1-CE 3.13Å; D602-K758 IonicContact OD1-NZ 3.35Å; D602-K758 PolarHBondContact OD1-NZ 3.07Å; D602-K758 VanDerWaalsContact OD1-NZ 3.09Å; D602-K758 WeakPolarHBondContact OD2-CE 3.48Å; D602-K758 IonicContact OD2-NZ 2.77Å; D602-K758 PolarHBondContact OD2-NZ 3.16Å; K758-E762 PolarHBondContact N-OE2 2.95Å |
| 759 | N | 63.3 | Low | 69.8 | Low | 74 Ų | 74 | 51.7 Ų | 51.7 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | trans | -129.9 | 138.6 | 178.3 | -53.2 | -71.7 | 0 | 0 | 0 | 110.5 | E761 E762 | N759-E761 PolarHBondContact O-N 3.29Å; N759-E762 HydrophobicContact CB-CG 4.07Å; N759-E762 PolarHBondContact N-OE2 2.79Å; N759-E762 PolarHBondContact ND2-OE1 2.71Å; N759-E762 WeakPolarHBondContact O-CB 3.14Å; N759-E762 PolarHBondContact O-N 3.5Å | ||
| 760 | P | 59.2 | Low | 69.6 | Low | 67 Ų | 67 | 51.6 Ų | 51.6 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -60.9 | -31.8 | 177 | 23.8 | -33.1 | 0 | 0 | 0 | 112.4 | E762 L763 | P760-E762 PolarHBondContact O-N 3.12Å; P760-L763 PolarHBondContact O-N 2.99Å; P760-L763 VanDerWaalsContact O-N 3.1Å |
| 761 | E | 55.5 | Low | 69.6 | Low | 174 Ų | 174 | 53.7 Ų | 53.7 | 81% | 0.813 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -58.2 | -15.5 | 173.8 | -58.8 | -176.2 | -178.7 | 0 | 0 | 114.2 | N759 | N759-E761 PolarHBondContact O-N 3.29Š|
| 762 | E | 56.7 | Low | 69.5 | Low | 34 Ų | 34 | 53.7 Ų | 53.7 | 16% | 0.159 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -84.2 | -21.7 | 179.2 | -66 | 166.1 | 170.7 | 0 | 0 | 112.8 | A756 K758 N759 P760 S765 | A756-E762 HydrophobicContact CB-CB 4.12Å; A756-E762 HydrophobicContact CB-CG 4.39Å; K758-E762 PolarHBondContact N-OE2 2.95Å; N759-E762 HydrophobicContact CB-CG 4.07Å; N759-E762 PolarHBondContact N-OE2 2.79Å; N759-E762 PolarHBondContact ND2-OE1 2.71Å; N759-E762 WeakPolarHBondContact O-CB 3.14Å; N759-E762 PolarHBondContact O-N 3.5Å; P760-E762 PolarHBondContact O-N 3.12Å; E762-S765 PolarHBondContact O-OG 3.33Å |
| 763 | L | 57.5 | Low | 69.5 | Low | 53 Ų | 53 | 53.4 Ų | 53.4 | 28% | 0.277 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -30.4 | -175.7 | -72.5 | 96.9 | 0 | 0 | 0 | 114 | L606 M609 L610 P760 S765 | L606-L763 HydrophobicContact CD1-CD2 4.07Å; M609-L763 HydrophobicContact CE-CD1 3.99Å; M609-L763 HydrophobicContact SD-CD1 4.24Å; L610-L763 HydrophobicContact CD2-CD2 3.46Å; L610-L763 VanDerWaalsContact CD2-CD2 3.46Å; L610-L763 HydrophobicContact CG-CD2 4.04Å; P760-L763 PolarHBondContact O-N 2.99Å; P760-L763 VanDerWaalsContact O-N 3.1Å; L763-S765 PolarHBondContact O-N 2.77Å; L763-S765 VanDerWaalsContact O-N 3.16Å |
| 764 | D | 51.4 | Low | 69.6 | Low | 142 Ų | 142 | 53.4 Ų | 53.4 | 76% | 0.759 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -9.1 | 177.1 | -177.6 | 46.6 | 0 | 0 | 0 | 113 | K766 | D764-K766 PolarHBondContact O-N 2.83Å; D764-K766 VanDerWaalsContact O-N 3.15Å |
| 765 | S | 48 | Very low | 69.7 | Low | 48 Ų | 48 | 52 Ų | 52 | 34% | 0.336 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -68.4 | 116 | 171.1 | 69.1 | 0 | 0 | 0 | 0 | 110.6 | E762 L763 M767 | E762-S765 PolarHBondContact O-OG 3.33Å; L763-S765 PolarHBondContact O-N 2.77Å; L763-S765 VanDerWaalsContact O-N 3.16Å; S765-M767 CarbonylContact O-C 3.48Å; S765-M767 PolarHBondContact O-N 3.09Å |
| 766 | K | 51.4 | Low | 70 | Confident | 200 Ų | 200 | 53.3 Ų | 53.3 | 87% | 0.87 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -56.4 | 2 | -170.1 | -66.8 | -179.8 | 177.4 | 177.3 | 0 | 117.4 | D764 | D764-K766 PolarHBondContact O-N 2.83Å; D764-K766 VanDerWaalsContact O-N 3.15Å |
| 767 | M | 55.8 | Low | 70.8 | Confident | 35 Ų | 35 | 53.7 Ų | 53.7 | 17% | 0.172 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -151.5 | 126.2 | 166.9 | -167.4 | 170.2 | 67.2 | 0 | 0 | 107.5 | F500 S765 C769 D801 | F500-M767 HydrophobicContact CE1-SD 3.98Å; F500-M767 HydrophobicContact CE2-SD 4Å; F500-M767 HydrophobicContact CZ-SD 3.6Å; F500-M767 VanDerWaalsContact CZ-SD 3.6Å; S765-M767 CarbonylContact O-C 3.48Å; S765-M767 PolarHBondContact O-N 3.09Å; M767-C769 PolarHBondContact O-N 2.85Å; M767-C769 VanDerWaalsContact O-N 3.15Å; M767-D801 HydrophobicContact CE-CB 3.37Å |
| 768 | E | 65.3 | Low | 71.5 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 11% | 0.112 | 30% | 0.296 | C | S | . | . | trans | -56.3 | 122.8 | 170.1 | -80.6 | 174.3 | -164.6 | 0 | 0 | 108.5 | R502 Q670 Y672 K755 | R502-E768 IonicContact CZ-OE1 3Å; R502-E768 IonicContact NH1-OE1 2.43Å; R502-E768 PolarHBondContact NH1-OE1 2.8Å; R502-E768 IonicContact NH1-OE2 2.76Å; R502-E768 VanDerWaalsContact NH2-CD 3.3Å; R502-E768 IonicContact NH2-OE1 2.71Å; R502-E768 PolarHBondContact NH2-OE1 2.87Å; Q670-E768 HydrophobicContact CB-CB 4.38Å; Q670-E768 WeakPolarHBondContact CB-OE2 3.4Å; Y672-E768 PolarHBondContact OH-O 2.93Å; K755-E768 WeakPolarHBondContact CE-OE2 3.33Å; K755-E768 IonicContact NZ-OE1 3.34Å; K755-E768 IonicContact NZ-OE2 3.4Å; K755-E768 PolarHBondContact NZ-OE2 3Å | ||
| 769 | C | 73.1 | Confident | 71.9 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.027 | 30% | 0.3 | C | S | . | . | trans | -119.6 | 150.7 | -177.6 | 52.8 | 0 | 0 | 0 | 0 | 110.1 | M767 V800 | M767-C769 PolarHBondContact O-N 2.85Å; M767-C769 VanDerWaalsContact O-N 3.15Å; C769-V800 WeakPolarHBondContact CB-O 3.33Å | ||
| 770 | L | 86.1 | Confident | 71.8 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 139.3 | 175.1 | -63 | 174.1 | 0 | 0 | 0 | 109 | Y672 F688 L753 K755 L772 K799 V800 I833 | Y672-L770 HydrophobicContact CD1-CD1 3.76Å; Y672-L770 HydrophobicContact CD1-CD2 4.43Å; Y672-L770 HydrophobicContact CD1-CG 4.11Å; Y672-L770 HydrophobicContact CD2-CD2 4.11Å; Y672-L770 HydrophobicContact CE1-CD1 3.86Å; Y672-L770 HydrophobicContact CE1-CD2 4.03Å; Y672-L770 HydrophobicContact CE1-CG 3.68Å; Y672-L770 HydrophobicContact CE2-CD2 3.7Å; Y672-L770 HydrophobicContact CE2-CG 4.3Å; Y672-L770 HydrophobicContact CG-CD1 4.15Å; Y672-L770 HydrophobicContact CG-CD2 4.46Å; F688-L770 HydrophobicContact CE2-CD1 4.25Å; F688-L770 HydrophobicContact CE2-CD2 4.44Å; F688-L770 HydrophobicContact CZ-CD1 3.97Å; L753-L770 HydrophobicContact CB-CB 4.3Å; L753-L770 HydrophobicContact CB-CD1 4.16Å; L753-L770 HydrophobicContact CD2-CB 4.17Å; L753-L770 HydrophobicContact CD2-CD1 3.64Å; K755-L770 HydrophobicContact CB-CD2 4.25Å; L770-L772 PolarHBondContact O-N 2.87Å; L770-K799 WeakPolarHBondContact O-CA 3.43Å; L770-V800 HydrophobicContact CB-CG2 4.19Å; L770-V800 PolarHBondContact N-O 3.29Å; L770-V800 WeakPolarHBondContact O-CG2 3.35Å; L770-V800 PolarHBondContact O-N 2.8Å; L770-I833 HydrophobicContact CD1-CG2 3.98Å |
| 771 | Q | 89.2 | Confident | 71.6 | Confident | 53 Ų | 53 | 64.9 Ų | 64.9 | 25% | 0.248 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 105.9 | 165.8 | -175.8 | 170.2 | -0.2 | 0 | 0 | 107.4 | L753 I754 E797 | L753-Q771 WeakPolarHBondContact CA-O 3.27Å; I754-Q771 PolarHBondContact N-O 2.84Å; I754-Q771 PolarHBondContact O-N 2.85Å; Q771-E797 PolarHBondContact NE2-OE2 3.33Å |
| 772 | L | 91.5 | Very high | 71.2 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 110.8 | 171.8 | 171.7 | 64.6 | 0 | 0 | 0 | 108.7 | Y730 M751 N752 L753 L770 M774 E797 V798 V800 V803 | Y730-L772 HydrophobicContact CD1-CD2 4.43Å; Y730-L772 HydrophobicContact CG-CD2 4.29Å; M751-L772 HydrophobicContact CE-CD1 3.87Å; N752-L772 WeakPolarHBondContact O-CA 3.5Å; L753-L772 HydrophobicContact CD1-CD1 3.76Å; L753-L772 HydrophobicContact CG-CB 4.42Å; L753-L772 HydrophobicContact CG-CD1 3.87Å; L770-L772 PolarHBondContact O-N 2.87Å; L772-M774 HydrophobicContact CD1-CG 4.21Å; L772-M774 HydrophobicContact CD2-CE 3.92Å; L772-M774 HydrophobicContact CD2-CG 4.43Å; L772-M774 HydrophobicContact CD2-SD 4.16Å; L772-M774 HydrophobicContact CG-CE 4.11Å; L772-M774 HydrophobicContact CG-CG 4.09Å; L772-M774 HydrophobicContact CG-SD 4.43Å; L772-E797 CarbonylContact O-C 3.55Å; L772-E797 WeakPolarHBondContact O-CA 3.39Å; L772-V798 PolarHBondContact N-O 2.77Å; L772-V798 PolarHBondContact O-N 3.35Å; L772-V800 HydrophobicContact CB-CG1 4.29Å; L772-V800 HydrophobicContact CB-CG2 3.74Å; L772-V800 HydrophobicContact CD2-CG1 4.41Å; L772-V803 HydrophobicContact CD2-CG1 4.38Å; L772-V803 HydrophobicContact CD2-CG2 4.21Å |
| 773 | T | 92.5 | Very high | 70.8 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 13% | 0.129 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 117.8 | 175.8 | -62.2 | 0 | 0 | 0 | 0 | 109 | M751 N752 V795 T796 E797 | M751-T773 CarbonylContact C-O 3.58Å; M751-T773 WeakPolarHBondContact CA-O 3.44Å; N752-T773 PolarHBondContact N-O 2.96Å; N752-T773 PolarHBondContact O-N 2.77Å; T773-V795 HydrophobicContact CG2-CG1 3.48Å; T773-V795 VanDerWaalsContact CG2-CG1 3.48Å; T773-T796 WeakPolarHBondContact CA-O 3.21Å; T773-E797 HydrophobicContact CG2-CG 4.1Å; T773-E797 WeakPolarHBondContact CG2-OE1 3.4Å; T773-E797 PolarHBondContact OG1-OE1 3.08Å |
| 774 | M | 93.3 | Very high | 70.4 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.2 | -178.2 | -66.8 | 170.3 | -86.5 | 0 | 0 | 110.1 | K746 M751 L772 E776 V795 T796 V798 | K746-M774 HydrophobicContact CD-SD 3.9Å; K746-M774 PolarHBondContact NZ-SD 3.15Å; K746-M774 VanDerWaalsContact NZ-SD 3.38Å; M751-M774 HydrophobicContact CE-CG 4.01Å; M751-M774 HydrophobicContact CE-SD 4.36Å; M751-M774 HydrophobicContact CG-CB 4.43Å; M751-M774 HydrophobicContact CG-CG 4.02Å; M751-M774 HydrophobicContact SD-CG 4.42Å; L772-M774 HydrophobicContact CD1-CG 4.21Å; L772-M774 HydrophobicContact CD2-CE 3.92Å; L772-M774 HydrophobicContact CD2-CG 4.43Å; L772-M774 HydrophobicContact CD2-SD 4.16Å; L772-M774 HydrophobicContact CG-CE 4.11Å; L772-M774 HydrophobicContact CG-CG 4.09Å; L772-M774 HydrophobicContact CG-SD 4.43Å; M774-E776 HydrophobicContact CB-CG 4.38Å; M774-V795 WeakPolarHBondContact O-CA 3.32Å; M774-T796 PolarHBondContact N-O 3.47Å; M774-T796 PolarHBondContact O-N 2.92Å; M774-V798 HydrophobicContact CE-CG2 3.89Å |
| 775 | T | 91.9 | Very high | 70.3 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 94.6 | 176.6 | -42.8 | 0 | 0 | 0 | 0 | 109.5 | C748 T749 S750 L793 | C748-T775 CarbonylContact C-O 3.6Å; C748-T775 WeakPolarHBondContact CA-O 3.07Å; C748-T775 WeakPolarHBondContact CB-O 3.49Å; T749-T775 PolarHBondContact N-O 2.93Å; T749-T775 WeakPolarHBondContact OG1-CB 3.33Å; T749-T775 VanDerWaalsContact OG1-CG2 3.3Å; T749-T775 WeakPolarHBondContact OG1-CG2 3.42Å; T749-T775 PolarHBondContact OG1-O 2.82Å; S750-T775 PolarHBondContact O-N 3.18Å; S750-T775 WeakPolarHBondContact OG-CB 3.08Å; S750-T775 PolarHBondContact OG-OG1 3.16Å; T775-L793 HydrophobicContact CG2-CD1 4.23Å |
| 776 | E | 90.2 | Very high | 70.4 | Confident | 30 Ų | 30 | 77.5 Ų | 77.5 | 14% | 0.14 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 145.3 | -172 | -65.3 | 173.9 | -128.2 | 0 | 0 | 112.2 | K746 V747 M774 L793 T794 T796 | K746-E776 HydrophobicContact CD-CG 4.09Å; K746-E776 WeakPolarHBondContact CE-OE1 3.48Å; K746-E776 WeakPolarHBondContact CE-OE2 3.42Å; K746-E776 IonicContact NZ-OE1 3.63Å; K746-E776 PolarHBondContact NZ-OE1 3.32Å; K746-E776 IonicContact NZ-OE2 3.87Å; V747-E776 CarbonylContact O-C 3.58Å; V747-E776 WeakPolarHBondContact O-CA 3.4Å; M774-E776 HydrophobicContact CB-CG 4.38Å; E776-L793 CarbonylContact O-C 3.46Å; E776-L793 VanDerWaalsContact O-CA 3.29Å; E776-L793 WeakPolarHBondContact O-CA 3.39Å; E776-T794 PolarHBondContact N-O 3.16Å; E776-T794 PolarHBondContact O-N 3.29Å; E776-T796 WeakPolarHBondContact OE1-CB 3.24Å; E776-T796 WeakPolarHBondContact OE1-CG2 3.19Å; E776-T796 PolarHBondContact OE1-OG1 3.26Å |
| 777 | V | 87.3 | Confident | 70.3 | Confident | 22 Ų | 22 | 77 Ų | 77 | 13% | 0.133 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 100 | 179.1 | -172 | 0 | 0 | 0 | 0 | 109.8 | P723 V747 T749 Q791 L793 | P723-V777 HydrophobicContact CB-CG2 4.01Å; P723-V777 HydrophobicContact CG-CG2 4.17Å; V747-V777 HydrophobicContact CG1-CB 4.26Å; V747-V777 PolarHBondContact O-N 2.97Å; T749-V777 HydrophobicContact CG2-CG2 3.74Å; V777-Q791 HydrophobicContact CG1-CB 4.39Å; V777-L793 HydrophobicContact CG2-CD2 3.82Å |
| 778 | L | 79.9 | Confident | 70 | Confident | 102 Ų | 102 | 78.3 Ų | 78.3 | 53% | 0.534 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -32.5 | -177 | -62.8 | -171.1 | 0 | 0 | 0 | 113.3 | Q792 T794 | L778-Q792 HydrophobicContact CB-CG 4.47Å; L778-Q792 PolarHBondContact N-O 3.15Å; L778-T794 HydrophobicContact CD1-CG2 4.45Å; L778-T794 WeakPolarHBondContact CD1-OG1 3.34Å |
| 779 | K | 70.4 | Confident | 69.5 | Low | 140 Ų | 140 | 81.7 Ų | 81.7 | 61% | 0.609 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 130 | -176.2 | -163.7 | 173 | -176.6 | 176.6 | 0 | 112.2 | Q792 | K779-Q792 HydrophobicContact CB-CB 4.01Å; K779-Q792 PolarHBondContact O-N 2.72Å |
| 780 | R | 61.3 | Low | 68.7 | Low | 135 Ų | 135 | 87.2 Ų | 87.2 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 114.3 | 170 | -170.5 | 177.8 | -170.9 | 174.4 | 5.5 | 109.7 | N782 Y789 | R780-N782 PolarHBondContact O-N 3.1Å; R780-Y789 HydrophobicContact CG-CD1 4.04Å; R780-Y789 HydrophobicContact CG-CE1 4.47Å; R780-Y789 VanDerWaalsContact NH2-CZ 3.34Å |
| 781 | Q | 54.6 | Low | 67.8 | Low | 120 Ų | 120 | 88.7 Ų | 88.7 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | trans | -83 | 109.4 | 175.7 | -167.8 | 175.9 | 18.9 | 0 | 0 | 110.3 | G783 Y789 | Q781-G783 VanDerWaalsContact C-N 3.31Å; Q781-G783 PolarHBondContact O-N 3.18Å; Q781-Y789 WeakPolarHBondContact O-CD1 3.42Å | ||
| 782 | N | 48.1 | Very low | 67.3 | Low | 132 Ų | 132 | 91.3 Ų | 91.3 | 71% | 0.706 | 46% | 0.46 | S | S | * | . | trans | -74.3 | 79.3 | 175.9 | -86.1 | -10 | 0 | 0 | 0 | 111.7 | R780 | R780-N782 PolarHBondContact O-N 3.1Š| ||
| 783 | G | 47.3 | Very low | 66.9 | Low | 48 Ų | 48 | 95.2 Ų | 95.2 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | trans | -76.2 | 128.5 | 168 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q781 S785 | Q781-G783 VanDerWaalsContact C-N 3.31Å; Q781-G783 PolarHBondContact O-N 3.18Å; G783-S785 PolarHBondContact O-N 3.12Å | ||
| 784 | K | 50.5 | Low | 66.7 | Low | 225 Ų | 225 | 96.7 Ų | 96.7 | 98% | 0.978 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -77.9 | 37.9 | 171.1 | -67.5 | -176.6 | 176 | -178.8 | 0 | 112.2 | ||
| 785 | S | 49 | Very low | 66.5 | Low | 91 Ų | 91 | 100.8 Ų | 100.8 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -124.6 | 144.2 | -173.3 | -176.6 | 0 | 0 | 0 | 0 | 111 | G783 K787 | G783-S785 PolarHBondContact O-N 3.12Å; S785-K787 PolarHBondContact O-N 3.07Å; S785-K787 VanDerWaalsContact O-N 3.16Å |
| 786 | K | 50.6 | Low | 66.3 | Low | 221 Ų | 221 | 101.8 Ų | 101.8 | 96% | 0.961 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -83.7 | 20.2 | -172.7 | -138 | 177.7 | -175.1 | -177.2 | 0 | 114 | ||
| 787 | K | 48.6 | Very low | 66.3 | Low | 189 Ų | 189 | 105.4 Ų | 105.4 | 82% | 0.822 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -136.1 | 106.4 | 176.1 | -80.8 | -169.8 | 171.7 | -173.2 | 0 | 110.4 | S785 | S785-K787 PolarHBondContact O-N 3.07Å; S785-K787 VanDerWaalsContact O-N 3.16Å |
| 788 | G | 50 | Low | 66.3 | Low | 62 Ų | 62 | 105 Ų | 105 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | trans | 69.1 | 121.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | N790 | G788-N790 PolarHBondContact O-N 3.28Š| ||
| 789 | Y | 54.9 | Low | 66.6 | Low | 96 Ų | 96 | 103.8 Ų | 103.8 | 38% | 0.376 | 53% | 0.526 | S | S | . | . | trans | -75.2 | 114.7 | 154.9 | -74.8 | -86.5 | 0 | 0 | 0 | 109 | E720 R780 Q781 Q791 | E720-Y789 WeakPolarHBondContact OE1-CB 3.44Å; E720-Y789 WeakPolarHBondContact OE2-CD2 3.39Å; R780-Y789 HydrophobicContact CG-CD1 4.04Å; R780-Y789 HydrophobicContact CG-CE1 4.47Å; R780-Y789 VanDerWaalsContact NH2-CZ 3.34Å; Q781-Y789 WeakPolarHBondContact O-CD1 3.42Å; Y789-Q791 VanDerWaalsContact C-N 3.34Å; Y789-Q791 PolarHBondContact O-N 2.75Å | ||
| 790 | N | 55.8 | Low | 67.3 | Low | 119 Ų | 119 | 97.1 Ų | 97.1 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | trans | -69.1 | 95 | 164.8 | -71.5 | -21.3 | 0 | 0 | 0 | 108.6 | G788 | G788-N790 PolarHBondContact O-N 3.28Š| ||
| 791 | Q | 67.3 | Low | 68.1 | Low | 33 Ų | 33 | 91.7 Ų | 91.7 | 15% | 0.154 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 123.9 | 172.2 | -57.7 | -169.3 | 22.2 | 0 | 0 | 109 | E720 A721 V777 Y789 L793 | E720-Q791 PolarHBondContact OE1-NE2 3Å; A721-Q791 PolarHBondContact O-NE2 3.42Å; V777-Q791 HydrophobicContact CG1-CB 4.39Å; Y789-Q791 VanDerWaalsContact C-N 3.34Å; Y789-Q791 PolarHBondContact O-N 2.75Å; Q791-L793 HydrophobicContact CB-CD2 4.08Å; Q791-L793 HydrophobicContact CB-CG 4.49Å; Q791-L793 PolarHBondContact O-N 3.35Å; Q791-L793 VanDerWaalsContact O-N 3.12Å |
| 792 | Q | 78 | Confident | 69.6 | Low | 108 Ų | 108 | 89.8 Ų | 89.8 | 51% | 0.505 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 96.4 | 171.7 | -174 | 177.4 | -3.2 | 0 | 0 | 109 | L778 K779 | L778-Q792 HydrophobicContact CB-CG 4.47Å; L778-Q792 PolarHBondContact N-O 3.15Å; K779-Q792 HydrophobicContact CB-CB 4.01Å; K779-Q792 PolarHBondContact O-N 2.72Å |
| 793 | L | 84 | Confident | 71.7 | Confident | 82 Ų | 82 | 83.6 Ų | 83.6 | 43% | 0.429 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 156.5 | 177.1 | -56.9 | -176.8 | 0 | 0 | 0 | 111.8 | T749 T775 E776 V777 Q791 | T749-L793 HydrophobicContact CG2-CD2 4.12Å; T775-L793 HydrophobicContact CG2-CD1 4.23Å; E776-L793 CarbonylContact O-C 3.46Å; E776-L793 VanDerWaalsContact O-CA 3.29Å; E776-L793 WeakPolarHBondContact O-CA 3.39Å; V777-L793 HydrophobicContact CG2-CD2 3.82Å; Q791-L793 HydrophobicContact CB-CD2 4.08Å; Q791-L793 HydrophobicContact CB-CG 4.49Å; Q791-L793 PolarHBondContact O-N 3.35Å; Q791-L793 VanDerWaalsContact O-N 3.12Å |
| 794 | T | 87.6 | Confident | 74 | Confident | 53 Ų | 53 | 83.3 Ų | 83.3 | 33% | 0.325 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 135.6 | 170 | -71.8 | 0 | 0 | 0 | 0 | 109.2 | E776 L778 T796 | E776-T794 PolarHBondContact N-O 3.16Å; E776-T794 PolarHBondContact O-N 3.29Å; L778-T794 HydrophobicContact CD1-CG2 4.45Å; L778-T794 WeakPolarHBondContact CD1-OG1 3.34Å; T794-T796 HydrophobicContact CG2-CG2 4.41Å |
| 795 | V | 88.9 | Confident | 76.1 | Confident | 85 Ų | 85 | 72.6 Ų | 72.6 | 52% | 0.515 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 130 | -179.9 | -177 | 0 | 0 | 0 | 0 | 109.1 | T773 M774 E797 | T773-V795 HydrophobicContact CG2-CG1 3.48Å; T773-V795 VanDerWaalsContact CG2-CG1 3.48Å; M774-V795 WeakPolarHBondContact O-CA 3.32Å; V795-E797 HydrophobicContact CG1-CG 4.21Å |
| 796 | T | 88.6 | Confident | 78.2 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 27% | 0.27 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.3 | 171.2 | 71.5 | 0 | 0 | 0 | 0 | 110.8 | K746 T773 M774 E776 T794 | K746-T796 PolarHBondContact NZ-OG1 2.86Å; T773-T796 WeakPolarHBondContact CA-O 3.21Å; M774-T796 PolarHBondContact N-O 3.47Å; M774-T796 PolarHBondContact O-N 2.92Å; E776-T796 WeakPolarHBondContact OE1-CB 3.24Å; E776-T796 WeakPolarHBondContact OE1-CG2 3.19Å; E776-T796 PolarHBondContact OE1-OG1 3.26Å; T794-T796 HydrophobicContact CG2-CG2 4.41Å |
| 797 | E | 89.3 | Confident | 80.1 | Confident | 107 Ų | 107 | 59.6 Ų | 59.6 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.8 | -173 | -55.6 | -154.7 | 140.4 | 0 | 0 | 112.2 | Q771 L772 T773 V795 | Q771-E797 PolarHBondContact NE2-OE2 3.33Å; L772-E797 CarbonylContact O-C 3.55Å; L772-E797 WeakPolarHBondContact O-CA 3.39Å; T773-E797 HydrophobicContact CG2-CG 4.1Å; T773-E797 WeakPolarHBondContact CG2-OE1 3.4Å; T773-E797 PolarHBondContact OG1-OE1 3.08Å; V795-E797 HydrophobicContact CG1-CG 4.21Å |
| 798 | V | 88.1 | Confident | 81.9 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 9% | 0.085 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 129.9 | -175.8 | -167.7 | 0 | 0 | 0 | 0 | 111 | Y730 R732 L772 M774 V800 | Y730-V798 HydrophobicContact CD2-CG1 4.31Å; Y730-V798 HydrophobicContact CE2-CB 4.4Å; Y730-V798 HydrophobicContact CE2-CG1 3.88Å; Y730-V798 HydrophobicContact CE2-CG2 4.22Å; R732-V798 HydrophobicContact CB-CG1 4.06Å; R732-V798 HydrophobicContact CG-CG1 3.59Å; L772-V798 PolarHBondContact N-O 2.77Å; L772-V798 PolarHBondContact O-N 3.35Å; M774-V798 HydrophobicContact CE-CG2 3.89Å; V798-V800 HydrophobicContact CB-CG1 4.22Å; V798-V800 HydrophobicContact CG1-CG1 3.89Å |
| 799 | K | 86.4 | Confident | 83.2 | Confident | 75 Ų | 75 | 52.5 Ų | 52.5 | 33% | 0.326 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 127 | 167 | -72.5 | -173.2 | 170.9 | -167.6 | 0 | 110.6 | V733 L770 | V733-K799 PolarHBondContact N-O 2.92Å; L770-K799 WeakPolarHBondContact O-CA 3.43Å |
| 800 | V | 85.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 156.1 | -170.9 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | Y730 N731 L753 C769 L770 L772 V798 V803 | Y730-V800 HydrophobicContact CD2-CG1 3.81Å; Y730-V800 HydrophobicContact CG-CG1 4.36Å; N731-V800 WeakPolarHBondContact O-CA 3.42Å; N731-V800 WeakPolarHBondContact O-CB 3.19Å; L753-V800 HydrophobicContact CD2-CG2 4.47Å; C769-V800 WeakPolarHBondContact CB-O 3.33Å; L770-V800 HydrophobicContact CB-CG2 4.19Å; L770-V800 PolarHBondContact N-O 3.29Å; L770-V800 WeakPolarHBondContact O-CG2 3.35Å; L770-V800 PolarHBondContact O-N 2.8Å; L772-V800 HydrophobicContact CB-CG1 4.29Å; L772-V800 HydrophobicContact CB-CG2 3.74Å; L772-V800 HydrophobicContact CD2-CG1 4.41Å; V798-V800 HydrophobicContact CB-CG1 4.22Å; V798-V800 HydrophobicContact CG1-CG1 3.89Å; V800-V803 HydrophobicContact CB-CG2 4.01Å; V800-V803 HydrophobicContact CG1-CG2 4.44Å; V800-V803 HydrophobicContact CG2-CG2 3.55Å |
| 801 | D | 77.6 | Confident | 85.7 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -27.2 | 175.8 | 66.3 | -21.1 | 0 | 0 | 0 | 113.5 | N731 V733 M767 | N731-D801 WeakPolarHBondContact CB-OD1 3.3Å; N731-D801 VanDerWaalsContact CG-OD1 3.32Å; N731-D801 VanDerWaalsContact ND2-CG 3.29Å; N731-D801 PolarHBondContact ND2-OD1 3.36Å; N731-D801 PolarHBondContact ND2-OD2 3.28Å; N731-D801 VanDerWaalsContact ND2-OD2 3.07Å; N731-D801 PolarHBondContact O-N 3.26Å; V733-D801 HydrophobicContact CG2-CB 3.96Å; M767-D801 HydrophobicContact CE-CB 3.37Å |
| 802 | K | 86.5 | Confident | 86.8 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 137.2 | 174.4 | -64.3 | -170.2 | 178.2 | -168.7 | 0 | 110.9 | Y730 N731 W741 I833 | Y730-K802 WeakPolarHBondContact CA-O 3.4Å; N731-K802 HydrophobicContact CB-CB 4.46Å; N731-K802 PolarHBondContact N-O 3.07Å; W741-K802 HydrophobicContact CH2-CB 3.85Å; W741-K802 HydrophobicContact CH2-CD 4Å; W741-K802 HydrophobicContact CZ2-CD 4.25Å; W741-K802 HydrophobicContact CZ3-CB 4.46Å; K802-I833 WeakPolarHBondContact CA-O 3.3Å |
| 803 | V | 92.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 134.4 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 110 | V728 V729 L753 L772 V800 V805 I833 | V728-V803 HydrophobicContact CG1-CG1 4.2Å; V729-V803 CarbonylContact O-C 3.59Å; V729-V803 WeakPolarHBondContact O-CA 3.41Å; L753-V803 HydrophobicContact CD2-CB 4.15Å; L753-V803 HydrophobicContact CD2-CG2 3.76Å; L772-V803 HydrophobicContact CD2-CG1 4.38Å; L772-V803 HydrophobicContact CD2-CG2 4.21Å; V800-V803 HydrophobicContact CB-CG2 4.01Å; V800-V803 HydrophobicContact CG1-CG2 4.44Å; V800-V803 HydrophobicContact CG2-CG2 3.55Å; V803-V805 HydrophobicContact CG1-CG2 3.88Å; V803-I833 HydrophobicContact CB-CB 4.46Å; V803-I833 PolarHBondContact N-O 3.15Å; V803-I833 PolarHBondContact O-N 3.11Å |
| 804 | Q | 94.6 | Very high | 88 | Confident | 42 Ų | 42 | 44.5 Ų | 44.5 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.9 | 165.7 | -176.9 | -159.1 | -29.9 | 0 | 0 | 108 | V729 S806 R830 C831 E832 | V729-Q804 HydrophobicContact CB-CB 4.32Å; V729-Q804 PolarHBondContact N-O 2.74Å; V729-Q804 PolarHBondContact O-N 3.19Å; Q804-S806 PolarHBondContact NE2-OG 3.45Å; Q804-S806 VanDerWaalsContact NE2-OG 3.09Å; Q804-R830 HydrophobicContact CG-CG 4.36Å; Q804-C831 CarbonylContact C-O 3.56Å; Q804-C831 WeakPolarHBondContact CA-O 3.39Å; Q804-E832 HydrophobicContact CB-CG 4.28Å; Q804-E832 HydrophobicContact CG-CB 4.34Å; Q804-E832 HydrophobicContact CG-CG 4.43Å |
| 805 | V | 94.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.2 | 172.2 | -171.3 | 0 | 0 | 0 | 0 | 108.1 | L694 L726 V728 M751 V803 F813 R830 C831 | L694-V805 HydrophobicContact CD1-CB 4.21Å; L694-V805 HydrophobicContact CD1-CG1 4.32Å; L694-V805 HydrophobicContact CD1-CG2 3.71Å; L726-V805 HydrophobicContact CB-CG1 4.21Å; L726-V805 HydrophobicContact CD1-CG1 4.04Å; L726-V805 HydrophobicContact CD2-CG1 4.27Å; L726-V805 HydrophobicContact CG-CG1 4.4Å; V728-V805 HydrophobicContact CG1-CG2 4.46Å; M751-V805 HydrophobicContact CE-CG1 4.4Å; M751-V805 HydrophobicContact CE-CG2 3.66Å; M751-V805 HydrophobicContact SD-CG1 4.16Å; M751-V805 HydrophobicContact SD-CG2 4.44Å; V803-V805 HydrophobicContact CG1-CG2 3.88Å; V805-F813 HydrophobicContact CB-CZ 4.4Å; V805-F813 HydrophobicContact CG1-CE1 4.32Å; V805-F813 HydrophobicContact CG1-CZ 4.17Å; V805-R830 CarbonylContact O-C 3.57Å; V805-R830 VanDerWaalsContact O-CA 3.3Å; V805-R830 WeakPolarHBondContact O-CA 3.44Å; V805-C831 PolarHBondContact N-O 2.86Å; V805-C831 PolarHBondContact O-N 2.93Å |
| 806 | S | 93.6 | Very high | 88.6 | Confident | 21 Ų | 21 | 38 Ų | 38 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 133.1 | 178.3 | -58.6 | 0 | 0 | 0 | 0 | 110 | L726 E727 Q804 T829 | L726-S806 WeakPolarHBondContact CA-O 3.46Å; E727-S806 PolarHBondContact N-O 2.98Å; E727-S806 PolarHBondContact O-N 2.79Å; Q804-S806 PolarHBondContact NE2-OG 3.45Å; Q804-S806 VanDerWaalsContact NE2-OG 3.09Å; S806-T829 CarbonylContact C-O 3.59Å; S806-T829 WeakPolarHBondContact CA-O 3.34Å |
| 807 | G | 90.4 | Very high | 88.8 | Confident | 17 Ų | 17 | 36 Ų | 36 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 123.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | T811 T829 | G807-T811 WeakPolarHBondContact CA-O 3.41Å; G807-T829 PolarHBondContact N-O 2.92Å |
| 808 | A | 87.3 | Confident | 89 | Confident | 23 Ų | 23 | 31 Ų | 31 | 19% | 0.19 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -70.1 | 138.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | T725 N810 T811 | T725-A808 HydrophobicContact CG2-CB 3.75Å; T725-A808 WeakPolarHBondContact O-CB 3.21Å; T725-A808 PolarHBondContact O-N 2.87Å; A808-N810 PolarHBondContact O-N 3.21Å; A808-T811 VanDerWaalsContact O-CB 3.25Å; A808-T811 WeakPolarHBondContact O-CB 3.48Å; A808-T811 PolarHBondContact O-N 2.87Å; A808-T811 VanDerWaalsContact O-N 3.16Å; A808-T811 PolarHBondContact O-OG1 3.41Å |
| 809 | G | 76.2 | Confident | 89.1 | Confident | 79 Ų | 79 | 31 Ų | 31 | 81% | 0.814 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | 57.8 | 49.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T811 | G809-T811 PolarHBondContact O-N 3.38Š|
| 810 | N | 75.5 | Confident | 89.2 | Confident | 152 Ų | 152 | 27.8 Ų | 27.8 | 81% | 0.813 | 18% | 0.176 | S | C | * | . | G | 310 helix | trans | 60.9 | 15.8 | -176.9 | -61.1 | -5.1 | 0 | 0 | 0 | 115.3 | A808 T812 | A808-N810 PolarHBondContact O-N 3.21Å; N810-T812 PolarHBondContact O-N 2.97Å |
| 811 | T | 87.9 | Confident | 89.3 | Confident | 39 Ų | 39 | 31 Ų | 31 | 24% | 0.239 | 19% | 0.191 | C | C | . | . | trans | -58.6 | 129.7 | 170.7 | -61.3 | 0 | 0 | 0 | 0 | 110 | L724 G807 A808 G809 | L724-T811 HydrophobicContact CB-CG2 4.27Å; L724-T811 HydrophobicContact CD2-CG2 3.71Å; G807-T811 WeakPolarHBondContact CA-O 3.41Å; A808-T811 VanDerWaalsContact O-CB 3.25Å; A808-T811 WeakPolarHBondContact O-CB 3.48Å; A808-T811 PolarHBondContact O-N 2.87Å; A808-T811 VanDerWaalsContact O-N 3.16Å; A808-T811 PolarHBondContact O-OG1 3.41Å; G809-T811 PolarHBondContact O-N 3.38Å | ||
| 812 | T | 91.4 | Very high | 89.7 | Confident | 58 Ų | 58 | 35.6 Ų | 35.6 | 36% | 0.356 | 21% | 0.21 | S | C | . | . | trans | -108.1 | 151.7 | 172.6 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | A679 N810 V828 T829 | A679-T812 HydrophobicContact CB-CG2 3.92Å; N810-T812 PolarHBondContact O-N 2.97Å; T812-V828 CarbonylContact C-O 3.57Å; T812-V828 VanDerWaalsContact CA-O 3.27Å; T812-V828 WeakPolarHBondContact CA-O 3.4Å; T812-T829 HydrophobicContact CG2-CG2 3.84Å | ||
| 813 | F | 92.8 | Very high | 89.9 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 165 | 175.9 | 50.2 | -92.3 | 0 | 0 | 0 | 112.1 | L694 L724 L726 V805 V815 S827 V828 C831 | L694-F813 HydrophobicContact CD2-CD2 3.98Å; L694-F813 HydrophobicContact CD2-CE2 3.84Å; L724-F813 HydrophobicContact CD1-CB 3.94Å; L726-F813 HydrophobicContact CD2-CD1 3.85Å; L726-F813 HydrophobicContact CD2-CE1 4.15Å; V805-F813 HydrophobicContact CB-CZ 4.4Å; V805-F813 HydrophobicContact CG1-CE1 4.32Å; V805-F813 HydrophobicContact CG1-CZ 4.17Å; F813-V815 HydrophobicContact CD2-CG2 3.91Å; F813-V815 HydrophobicContact CE2-CG2 3.88Å; F813-S827 PolarHBondContact O-N 2.95Å; F813-V828 WeakPolarHBondContact CD1-O 3.3Å; F813-V828 HydrophobicContact CD2-CB 4.18Å; F813-V828 HydrophobicContact CD2-CG1 4.26Å; F813-V828 HydrophobicContact CE2-CB 4.03Å; F813-V828 HydrophobicContact CE2-CG1 3.6Å; F813-V828 HydrophobicContact CZ-CG1 3.88Å; F813-V828 PolarHBondContact N-O 2.81Å; F813-V828 PolarHBondContact O-N 2.91Å; F813-C831 HydrophobicContact CE2-CB 4.01Å; F813-C831 HydrophobicContact CZ-CB 4.16Å |
| 814 | A | 93.2 | Very high | 89.8 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 12% | 0.124 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 151.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L694 G695 A698 L825 | L694-A814 WeakPolarHBondContact CA-O 3.48Å; G695-A814 PolarHBondContact N-O 3.45Å; A698-A814 HydrophobicContact CB-CB 4.06Å; A814-L825 CarbonylContact C-O 3.56Å; A814-L825 WeakPolarHBondContact CA-O 3.35Å |
| 815 | V | 94.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.2 | 176.1 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | M676 L692 E693 L694 F813 L817 I824 L825 V828 | M676-V815 HydrophobicContact SD-CB 4.08Å; M676-V815 HydrophobicContact SD-CG1 3.79Å; M676-V815 HydrophobicContact SD-CG2 4.14Å; L692-V815 HydrophobicContact CD2-CG1 3.92Å; L692-V815 HydrophobicContact CG-CG1 4.08Å; E693-V815 CarbonylContact O-C 3.59Å; E693-V815 WeakPolarHBondContact O-CA 3.26Å; L694-V815 HydrophobicContact CD2-CB 4.06Å; L694-V815 HydrophobicContact CD2-CG1 3.82Å; L694-V815 HydrophobicContact CD2-CG2 3.58Å; F813-V815 HydrophobicContact CD2-CG2 3.91Å; F813-V815 HydrophobicContact CE2-CG2 3.88Å; V815-L817 HydrophobicContact CG1-CD2 4.46Å; V815-I824 CarbonylContact O-C 3.6Å; V815-I824 VanDerWaalsContact O-CA 3.31Å; V815-I824 WeakPolarHBondContact O-CA 3.42Å; V815-L825 PolarHBondContact N-O 2.87Å; V815-L825 PolarHBondContact O-N 3.29Å; V815-V828 HydrophobicContact CG2-CB 3.88Å; V815-V828 HydrophobicContact CG2-CG1 3.99Å; V815-V828 HydrophobicContact CG2-CG2 3.71Å |
| 816 | C | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143.2 | 167.6 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | L692 E693 A698 R701 D820 I824 | L692-C816 CarbonylContact C-O 3.58Å; L692-C816 WeakPolarHBondContact CA-O 3.25Å; E693-C816 HydrophobicContact CB-CB 4.19Å; E693-C816 PolarHBondContact N-O 3.42Å; E693-C816 PolarHBondContact O-N 3.46Å; A698-C816 HydrophobicContact CB-CB 3.81Å; R701-C816 VanDerWaalsContact CD-SG 3.54Å; C816-D820 PolarHBondContact SG-O 2.88Å; C816-D820 VanDerWaalsContact SG-O 3.4Å; C816-I824 HydrophobicContact CB-CG1 3.98Å |
| 817 | L | 93.9 | Very high | 89.5 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.6 | 178.2 | -58.6 | 172.8 | 0 | 0 | 0 | 110.3 | A674 M676 E686 F688 L692 V815 Q819 D820 K823 | A674-L817 HydrophobicContact CB-CD2 4.29Å; M676-L817 HydrophobicContact CE-CD1 4.44Å; E686-L817 HydrophobicContact CB-CD1 3.39Å; E686-L817 HydrophobicContact CG-CD1 3.96Å; F688-L817 HydrophobicContact CB-CB 4.33Å; F688-L817 HydrophobicContact CB-CD2 4.18Å; F688-L817 HydrophobicContact CD1-CD2 4.12Å; F688-L817 HydrophobicContact CG-CD2 4.29Å; L692-L817 HydrophobicContact CB-CD2 4.33Å; L692-L817 HydrophobicContact CD1-CD2 3.52Å; L692-L817 HydrophobicContact CG-CD2 3.73Å; V815-L817 HydrophobicContact CG1-CD2 4.46Å; L817-Q819 PolarHBondContact O-N 2.7Å; L817-D820 WeakPolarHBondContact O-CB 3.4Å; L817-D820 PolarHBondContact O-N 2.84Å; L817-K823 PolarHBondContact N-O 3.02Å |
| 818 | D | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 30.5 | 176.1 | -62.7 | -41.7 | 0 | 0 | 0 | 115.5 | H526 G529 F688 V689 H690 S691 D820 | H526-D818 WeakPolarHBondContact CA-O 3.42Å; H526-D818 WeakPolarHBondContact CB-O 3.33Å; H526-D818 PolarHBondContact N-O 3.1Å; G529-D818 WeakPolarHBondContact CA-OD2 3.36Å; F688-D818 WeakPolarHBondContact CA-OD2 3.5Å; F688-D818 VanDerWaalsContact CB-OD2 3.3Å; F688-D818 WeakPolarHBondContact CB-OD2 3.47Å; V689-D818 PolarHBondContact N-OD1 2.95Å; V689-D818 PolarHBondContact N-OD2 2.93Å; H690-D818 WeakPolarHBondContact CA-OD1 3.47Å; H690-D818 PolarHBondContact N-OD1 3.23Å; S691-D818 PolarHBondContact N-OD1 2.82Å; S691-D818 PolarHBondContact O-N 2.99Å; D818-D820 PolarHBondContact O-N 3.34Å; D818-D820 VanDerWaalsContact O-N 3.16Å |
| 819 | Q | 90.1 | Very high | 90 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 12.4 | -174.7 | -52.1 | 171.6 | 14 | 0 | 0 | 114.8 | T600 H690 R701 L817 E821 | T600-Q819 PolarHBondContact OG1-NE2 3.44Å; T600-Q819 PolarHBondContact OG1-OE1 2.88Å; H690-Q819 PolarHBondContact NE2-NE2 2.9Å; R701-Q819 WeakPolarHBondContact CD-O 3.25Å; R701-Q819 PolarHBondContact NH1-O 2.84Å; L817-Q819 PolarHBondContact O-N 2.7Å; Q819-E821 PolarHBondContact O-N 2.84Å |
| 820 | D | 89.6 | Confident | 90.8 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | trans | -77.4 | 110.6 | -175.8 | -177.2 | -6.4 | 0 | 0 | 0 | 111.7 | H526 R533 C816 L817 D818 K822 K823 | H526-D820 HydrophobicContact CB-CB 3.89Å; R533-D820 IonicContact CZ-OD2 3.66Å; R533-D820 IonicContact NH1-OD2 3.49Å; R533-D820 PolarHBondContact NH1-OD2 2.89Å; R533-D820 IonicContact NH2-OD2 3.18Å; R533-D820 PolarHBondContact NH2-OD2 2.91Å; C816-D820 PolarHBondContact SG-O 2.88Å; C816-D820 VanDerWaalsContact SG-O 3.4Å; L817-D820 WeakPolarHBondContact O-CB 3.4Å; L817-D820 PolarHBondContact O-N 2.84Å; D818-D820 PolarHBondContact O-N 3.34Å; D818-D820 VanDerWaalsContact O-N 3.16Å; D820-K822 PolarHBondContact O-N 3.5Å; D820-K822 VanDerWaalsContact O-N 3.15Å; D820-K822 WeakPolarHBondContact OD1-CA 3.46Å; D820-K822 WeakPolarHBondContact OD1-CB 3.44Å; D820-K822 PolarHBondContact OD1-N 2.87Å; D820-K823 HydrophobicContact CB-CB 4.08Å; D820-K823 HydrophobicContact CB-CG 4.4Å; D820-K823 CarbonylContact O-C 3.57Å; D820-K823 PolarHBondContact O-N 2.86Å; D820-K823 WeakPolarHBondContact OD2-CG 3.46Å | ||
| 821 | E | 86.4 | Confident | 91.8 | Very high | 69 Ų | 69 | 35.9 Ų | 35.9 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.5 | 177.7 | -66.2 | -175.9 | 148.6 | 0 | 0 | 113.4 | R563 R701 A705 Q819 K823 | R563-E821 IonicContact NH2-OE2 3.62Å; R701-E821 HydrophobicContact CG-CG 4.21Å; A705-E821 HydrophobicContact CB-CB 3.79Å; A705-E821 HydrophobicContact CB-CG 4.09Å; Q819-E821 PolarHBondContact O-N 2.84Å; E821-K823 VanDerWaalsContact C-N 3.32Å |
| 822 | K | 86.6 | Confident | 92.1 | Very high | 117 Ų | 117 | 37.7 Ų | 37.7 | 51% | 0.509 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -3.8 | 176.8 | -60.9 | 173 | -179.9 | 171.4 | 0 | 112.2 | N171 D173 E174 D820 | N171-K822 PolarHBondContact ND2-NZ 3.28Å; D173-K822 IonicContact OD2-NZ 3.28Å; D173-K822 PolarHBondContact OD2-NZ 3.42Å; E174-K822 IonicContact OE1-NZ 3.13Å; D820-K822 PolarHBondContact O-N 3.5Å; D820-K822 VanDerWaalsContact O-N 3.15Å; D820-K822 WeakPolarHBondContact OD1-CA 3.46Å; D820-K822 WeakPolarHBondContact OD1-CB 3.44Å; D820-K822 PolarHBondContact OD1-N 2.87Å |
| 823 | K | 90 | Very high | 92.2 | Very high | 41 Ų | 41 | 35 Ų | 35 | 18% | 0.178 | 17% | 0.171 | C | C | . | . | trans | -125.4 | 53.5 | -179.5 | -68.9 | -68.6 | -172.4 | 149.1 | 0 | 113.6 | D299 E686 L817 D820 E821 | D299-K823 VanDerWaalsContact CG-CE 3.42Å; D299-K823 WeakPolarHBondContact OD2-CE 3.36Å; D299-K823 IonicContact OD2-NZ 2.83Å; D299-K823 PolarHBondContact OD2-NZ 3.25Å; E686-K823 IonicContact OE1-NZ 2.81Å; E686-K823 PolarHBondContact OE1-NZ 3.04Å; E686-K823 IonicContact OE2-NZ 3.43Å; L817-K823 PolarHBondContact N-O 3.02Å; D820-K823 HydrophobicContact CB-CB 4.08Å; D820-K823 HydrophobicContact CB-CG 4.4Å; D820-K823 CarbonylContact O-C 3.57Å; D820-K823 PolarHBondContact O-N 2.86Å; D820-K823 WeakPolarHBondContact OD2-CG 3.46Å; E821-K823 VanDerWaalsContact C-N 3.32Å | ||
| 824 | I | 91.1 | Very high | 91.9 | Very high | 32 Ų | 32 | 36.2 Ų | 36.2 | 16% | 0.164 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.5 | 172.8 | -54.8 | 177.8 | 0 | 0 | 0 | 110 | R701 A702 V815 C816 | R701-I824 HydrophobicContact CB-CD1 4.12Å; R701-I824 HydrophobicContact CG-CD1 4.05Å; A702-I824 VanDerWaalsContact CA-CD1 3.5Å; A702-I824 HydrophobicContact CB-CD1 3.92Å; A702-I824 HydrophobicContact CB-CG2 3.99Å; V815-I824 CarbonylContact O-C 3.6Å; V815-I824 VanDerWaalsContact O-CA 3.31Å; V815-I824 WeakPolarHBondContact O-CA 3.42Å; C816-I824 HydrophobicContact CB-CG1 3.98Å |
| 825 | L | 91.6 | Very high | 91.5 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 14% | 0.141 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.5 | 176.2 | -68.4 | 169.6 | 0 | 0 | 0 | 109.6 | M676 A814 V815 V828 | M676-L825 HydrophobicContact CE-CD1 3.49Å; M676-L825 VanDerWaalsContact CE-CD1 3.49Å; M676-L825 HydrophobicContact SD-CD1 3.63Å; A814-L825 CarbonylContact C-O 3.56Å; A814-L825 WeakPolarHBondContact CA-O 3.35Å; V815-L825 PolarHBondContact N-O 2.87Å; V815-L825 PolarHBondContact O-N 3.29Å; L825-V828 HydrophobicContact CB-CG2 4.11Å |
| 826 | Q | 91.1 | Very high | 91 | Very high | 130 Ų | 130 | 36.2 Ų | 36.2 | 61% | 0.607 | 18% | 0.179 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 166.4 | 175 | -61 | -174.7 | 8.1 | 0 | 0 | 110.7 | L678 V828 | L678-Q826 WeakPolarHBondContact CD2-O 3.34Å; Q826-V828 VanDerWaalsContact C-N 3.28Å; Q826-V828 PolarHBondContact O-N 3.03Å |
| 827 | S | 91.9 | Very high | 90.1 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 43% | 0.434 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.2 | 31.2 | 174.4 | -55.3 | 0 | 0 | 0 | 0 | 115.1 | A679 F813 | A679-S827 WeakPolarHBondContact CB-O 3.22Å; A679-S827 PolarHBondContact N-O 3.03Å; F813-S827 PolarHBondContact O-N 2.95Å |
| 828 | V | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 132.3 | 174.9 | 177 | 0 | 0 | 0 | 0 | 109.8 | M676 M677 L678 T812 F813 V815 L825 Q826 R830 C831 | M676-V828 HydrophobicContact CB-CG1 4.19Å; M676-V828 HydrophobicContact CB-CG2 4.45Å; M676-V828 HydrophobicContact CG-CG1 4.35Å; M677-V828 WeakPolarHBondContact O-CA 3.35Å; L678-V828 HydrophobicContact CD2-CG2 3.72Å; T812-V828 CarbonylContact C-O 3.57Å; T812-V828 VanDerWaalsContact CA-O 3.27Å; T812-V828 WeakPolarHBondContact CA-O 3.4Å; F813-V828 WeakPolarHBondContact CD1-O 3.3Å; F813-V828 HydrophobicContact CD2-CB 4.18Å; F813-V828 HydrophobicContact CD2-CG1 4.26Å; F813-V828 HydrophobicContact CE2-CB 4.03Å; F813-V828 HydrophobicContact CE2-CG1 3.6Å; F813-V828 HydrophobicContact CZ-CG1 3.88Å; F813-V828 PolarHBondContact N-O 2.81Å; F813-V828 PolarHBondContact O-N 2.91Å; V815-V828 HydrophobicContact CG2-CB 3.88Å; V815-V828 HydrophobicContact CG2-CG1 3.99Å; V815-V828 HydrophobicContact CG2-CG2 3.71Å; L825-V828 HydrophobicContact CB-CG2 4.11Å; Q826-V828 VanDerWaalsContact C-N 3.28Å; Q826-V828 PolarHBondContact O-N 3.03Å; V828-R830 VanDerWaalsContact CG1-O 3.24Å; V828-R830 WeakPolarHBondContact CG1-O 3.33Å; V828-C831 HydrophobicContact CG1-CB 4.38Å |
| 829 | T | 93.9 | Very high | 86.7 | Confident | 36 Ų | 36 | 47.1 Ų | 47.1 | 22% | 0.221 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -31.2 | 177.9 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | M677 A679 S806 G807 T812 | M677-T829 PolarHBondContact O-N 2.86Å; M677-T829 PolarHBondContact O-OG1 3.04Å; M677-T829 VanDerWaalsContact O-OG1 3.13Å; A679-T829 HydrophobicContact CB-CG2 4.1Å; S806-T829 CarbonylContact C-O 3.59Å; S806-T829 WeakPolarHBondContact CA-O 3.34Å; G807-T829 PolarHBondContact N-O 2.92Å; T812-T829 HydrophobicContact CG2-CG2 3.84Å |
| 830 | R | 94.5 | Very high | 84.7 | Confident | 94 Ų | 94 | 50.7 Ų | 50.7 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 139.1 | 174.8 | 169.4 | 176.2 | 173.3 | 170 | -1.1 | 110.1 | M676 M677 Q804 V805 V828 E832 | M676-R830 CarbonylContact C-O 3.53Å; M676-R830 WeakPolarHBondContact CA-O 3.34Å; M677-R830 HydrophobicContact CB-CB 4.18Å; M677-R830 PolarHBondContact N-O 2.84Å; M677-R830 PolarHBondContact O-N 3.15Å; Q804-R830 HydrophobicContact CG-CG 4.36Å; V805-R830 CarbonylContact O-C 3.57Å; V805-R830 VanDerWaalsContact O-CA 3.3Å; V805-R830 WeakPolarHBondContact O-CA 3.44Å; V828-R830 VanDerWaalsContact CG1-O 3.24Å; V828-R830 WeakPolarHBondContact CG1-O 3.33Å; R830-E832 IonicContact CZ-OE2 2.79Å; R830-E832 IonicContact NE-OE2 3.51Å; R830-E832 PolarHBondContact NE-OE2 3.13Å; R830-E832 IonicContact NH2-OE2 3.68Å; R830-E832 PolarHBondContact NH2-OE2 3.08Å |
| 831 | C | 95.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.3 | 170.5 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | E675 M676 Q804 V805 F813 V828 | E675-C831 CarbonylContact O-C 3.57Å; E675-C831 WeakPolarHBondContact O-CA 3.34Å; M676-C831 HydrophobicContact CG-CB 4.13Å; Q804-C831 CarbonylContact C-O 3.56Å; Q804-C831 WeakPolarHBondContact CA-O 3.39Å; V805-C831 PolarHBondContact N-O 2.86Å; V805-C831 PolarHBondContact O-N 2.93Å; F813-C831 HydrophobicContact CE2-CB 4.01Å; F813-C831 HydrophobicContact CZ-CB 4.16Å; V828-C831 HydrophobicContact CG1-CB 4.38Å |
| 832 | E | 94.8 | Very high | 80.5 | Confident | 78 Ų | 78 | 54.8 Ų | 54.8 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.2 | 178 | -173 | 166.7 | 159.8 | 0 | 0 | 110 | A674 E675 Q804 R830 | A674-E832 CarbonylContact C-O 3.57Å; A674-E832 WeakPolarHBondContact CA-O 3.46Å; E675-E832 PolarHBondContact N-O 3.35Å; E675-E832 PolarHBondContact O-N 3.49Å; Q804-E832 HydrophobicContact CB-CG 4.28Å; Q804-E832 HydrophobicContact CG-CB 4.34Å; Q804-E832 HydrophobicContact CG-CG 4.43Å; R830-E832 IonicContact CZ-OE2 2.79Å; R830-E832 IonicContact NE-OE2 3.51Å; R830-E832 PolarHBondContact NE-OE2 3.13Å; R830-E832 IonicContact NH2-OE2 3.68Å; R830-E832 PolarHBondContact NH2-OE2 3.08Å |
| 833 | I | 93.3 | Very high | 78.5 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.3 | -166.2 | -58.9 | 168.7 | 0 | 0 | 0 | 108.2 | Q673 F688 L692 L753 L770 K802 V803 | Q673-I833 WeakPolarHBondContact O-CA 3.46Å; F688-I833 HydrophobicContact CE1-CG2 3.95Å; F688-I833 HydrophobicContact CZ-CG2 3.76Å; L692-I833 HydrophobicContact CD1-CD1 3.72Å; L692-I833 HydrophobicContact CD1-CG1 3.98Å; L692-I833 HydrophobicContact CD2-CD1 3.96Å; L692-I833 HydrophobicContact CG-CD1 4.38Å; L753-I833 HydrophobicContact CD1-CD1 3.61Å; L753-I833 HydrophobicContact CD2-CD1 3.67Å; L753-I833 HydrophobicContact CD2-CG2 4.18Å; L753-I833 HydrophobicContact CG-CD1 4.25Å; L770-I833 HydrophobicContact CD1-CG2 3.98Å; K802-I833 WeakPolarHBondContact CA-O 3.3Å; V803-I833 HydrophobicContact CB-CB 4.46Å; V803-I833 PolarHBondContact N-O 3.15Å; V803-I833 PolarHBondContact O-N 3.11Å |
| 834 | S | 86.8 | Confident | 76.3 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 22% | 0.224 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 156.5 | -179.3 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | Y672 Q673 | Y672-S834 CarbonylContact C-O 3.53Å; Y672-S834 WeakPolarHBondContact CA-O 3.27Å; Q673-S834 PolarHBondContact N-O 3.22Å; Q673-S834 PolarHBondContact O-N 3.08Å |
| 835 | V | 84.6 | Confident | 74.2 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 140.2 | 173.8 | -173.3 | 0 | 0 | 0 | 0 | 110 | Q670 Y672 Y837 L866 | Q670-V835 HydrophobicContact CG-CG1 3.99Å; Q670-V835 VanDerWaalsContact NE2-CG1 3.28Å; Y672-V835 HydrophobicContact CD1-CG2 4.13Å; Y672-V835 HydrophobicContact CE1-CG2 3.92Å; V835-Y837 HydrophobicContact CB-CE2 3.84Å; V835-Y837 HydrophobicContact CG1-CE1 4.46Å; V835-Y837 HydrophobicContact CG1-CE2 4.47Å; V835-Y837 WeakPolarHBondContact O-CD2 3.32Å; V835-Y837 WeakPolarHBondContact O-CE2 3.3Å; V835-L866 HydrophobicContact CG1-CD2 3.53Å |
| 836 | C | 83.9 | Confident | 71.9 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 7% | 0.074 | 34% | 0.343 | C | S | . | . | trans | -73.7 | 125.7 | 175.8 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | Q670 L671 Y672 L867 | Q670-C836 PolarHBondContact NE2-O 2.95Å; L671-C836 HydrophobicContact CB-CB 4.2Å; L671-C836 WeakPolarHBondContact O-CB 3.44Å; L671-C836 PolarHBondContact O-N 3.14Å; L671-C836 PolarHBondContact O-SG 3.41Å; Y672-C836 VanDerWaalsContact C-SG 3.54Å; C836-L867 HydrophobicContact CB-CB 3.72Å; C836-L867 HydrophobicContact CB-CD1 4.23Å; C836-L867 WeakPolarHBondContact O-CB 3.36Å; C836-L867 PolarHBondContact O-N 3.46Å | ||
| 837 | Y | 75.8 | Confident | 69.4 | Low | 78 Ų | 78 | 67.4 Ų | 67.4 | 31% | 0.306 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147.5 | 177.9 | -59.6 | -81.8 | 0 | 0 | 0 | 112.3 | F500 V835 C864 S865 L866 L867 | F500-Y837 HydrophobicContact CE1-CE1 4.33Å; V835-Y837 HydrophobicContact CB-CE2 3.84Å; V835-Y837 HydrophobicContact CG1-CE1 4.46Å; V835-Y837 HydrophobicContact CG1-CE2 4.47Å; V835-Y837 WeakPolarHBondContact O-CD2 3.32Å; V835-Y837 WeakPolarHBondContact O-CE2 3.3Å; Y837-C864 HydrophobicContact CD1-CB 4.4Å; Y837-C864 HydrophobicContact CE1-CB 4.31Å; Y837-S865 WeakPolarHBondContact CA-O 3.34Å; Y837-L866 HydrophobicContact CD1-CD2 3.85Å; Y837-L866 HydrophobicContact CE1-CD2 3.52Å; Y837-L867 VanDerWaalsContact C-CD1 3.43Å; Y837-L867 VanDerWaalsContact O-CD1 3.25Å; Y837-L867 WeakPolarHBondContact O-CD1 3.49Å |
| 838 | K | 64.8 | Low | 67 | Low | 46 Ų | 46 | 72.3 Ų | 72.3 | 20% | 0.2 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.1 | 161.2 | -175.8 | -172.2 | 173 | -173 | 0 | 106.7 | D840 D844 S865 L867 | K838-D840 PolarHBondContact O-N 3.49Å; K838-D844 IonicContact NZ-OD1 2.72Å; K838-D844 PolarHBondContact NZ-OD1 2.81Å; K838-D844 IonicContact NZ-OD2 3.24Å; K838-D844 PolarHBondContact NZ-OD2 2.89Å; K838-S865 PolarHBondContact N-O 2.66Å; K838-L867 HydrophobicContact CB-CD2 3.92Å; K838-L867 HydrophobicContact CB-CG 4.29Å |
| 839 | P | 50.1 | Low | 64.1 | Low | 109 Ų | 109 | 82.2 Ų | 82.2 | 71% | 0.708 | 40% | 0.403 | S | S | * | . | trans | -63.6 | 135.4 | 169.2 | 27.9 | -33.3 | 0 | 0 | 0 | 109 | S841 | P839-S841 PolarHBondContact O-N 3.4Å; P839-S841 VanDerWaalsContact O-N 3.09Å | ||
| 840 | D | 49 | Very low | 61.4 | Low | 91 Ų | 91 | 90.1 Ų | 90.1 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | trans | -72.1 | 108.4 | -175 | -67.6 | -47.7 | 0 | 0 | 0 | 110.9 | K838 S865 | K838-D840 PolarHBondContact O-N 3.49Å; D840-S865 PolarHBondContact OD1-OG 3.32Å | ||
| 841 | S | 46 | Very low | 58.6 | Low | 60 Ų | 60 | 94.4 Ų | 94.4 | 42% | 0.42 | 45% | 0.453 | S | S | . | . | trans | -68.9 | 130.3 | 164.1 | 173.9 | 0 | 0 | 0 | 0 | 109.3 | P839 A843 D844 | P839-S841 PolarHBondContact O-N 3.4Å; P839-S841 VanDerWaalsContact O-N 3.09Å; S841-A843 PolarHBondContact O-N 2.98Å; S841-A843 PolarHBondContact OG-N 3.14Å; S841-D844 PolarHBondContact O-N 2.89Å; S841-D844 VanDerWaalsContact O-N 3.13Å | ||
| 842 | S | 41 | Very low | 55.7 | Low | 101 Ų | 101 | 99.3 Ų | 99.3 | 71% | 0.706 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 7.5 | 175 | 57 | 0 | 0 | 0 | 0 | 114 | W845 | S842-W845 PolarHBondContact O-NE1 3.31Š|
| 843 | A | 44.3 | Very low | 52.7 | Low | 51 Ų | 51 | 100.6 Ų | 100.6 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -28.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S841 W845 R846 | S841-A843 PolarHBondContact O-N 2.98Å; S841-A843 PolarHBondContact OG-N 3.14Å; A843-W845 PolarHBondContact O-N 2.84Å; A843-R846 PolarHBondContact O-N 2.94Å; A843-R846 VanDerWaalsContact O-N 3.09Å |
| 844 | D | 43.6 | Very low | 50.2 | Low | 53 Ų | 53 | 105 Ų | 105 | 28% | 0.283 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -16.6 | -171.1 | -103 | 55.2 | 0 | 0 | 0 | 114.4 | R503 K838 S841 | R503-D844 IonicContact CZ-OD2 2.71Å; R503-D844 IonicContact NH1-OD2 3.58Å; R503-D844 PolarHBondContact NH1-OD2 2.84Å; R503-D844 IonicContact NH2-OD2 2.76Å; R503-D844 PolarHBondContact NH2-OD2 2.8Å; K838-D844 IonicContact NZ-OD1 2.72Å; K838-D844 PolarHBondContact NZ-OD1 2.81Å; K838-D844 IonicContact NZ-OD2 3.24Å; K838-D844 PolarHBondContact NZ-OD2 2.89Å; S841-D844 PolarHBondContact O-N 2.89Å; S841-D844 VanDerWaalsContact O-N 3.13Å |
| 845 | W | 47.7 | Very low | 47.9 | Very low | 173 Ų | 173 | 112 Ų | 112 | 66% | 0.655 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -18.8 | -179.2 | 68.1 | -90.3 | 0 | 0 | 0 | 114.6 | S842 A843 | S842-W845 PolarHBondContact O-NE1 3.31Å; A843-W845 PolarHBondContact O-N 2.84Å |
| 846 | R | 42.5 | Very low | 45.6 | Very low | 184 Ų | 184 | 119.3 Ų | 119.3 | 69% | 0.694 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -22.1 | -174.6 | -63.2 | -168.1 | -174.4 | -158.3 | 5 | 113.7 | A843 | A843-R846 PolarHBondContact O-N 2.94Å; A843-R846 VanDerWaalsContact O-N 3.09Å |
| 847 | L | 39.6 | Very low | 43.2 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -90.7 | -6 | -165.7 | -75.8 | 164.5 | 0 | 0 | 0 | 115.9 | ||
| 848 | R | 40.8 | Very low | 41.3 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | trans | -130.1 | 106.7 | 168.4 | -69.7 | -164.3 | -179.6 | -159 | -1.1 | 111.1 | W850 | R848-W850 PolarHBondContact O-N 2.84Å; R848-W850 VanDerWaalsContact O-N 3.09Å | ||
| 849 | K | 33.7 | Very low | 39.9 | Very low | 208 Ų | 208 | 133.3 Ų | 133.3 | 90% | 0.904 | 69% | 0.692 | S | S | * | * | trans | -63 | 104.4 | 164.2 | -72.4 | 176.8 | 179 | 172 | 0 | 108.3 | Q851 | K849-Q851 PolarHBondContact O-N 2.8Š| ||
| 850 | W | 37.2 | Very low | 39.5 | Very low | 201 Ų | 201 | 134.8 Ų | 134.8 | 76% | 0.761 | 70% | 0.695 | S | S | * | * | trans | -68.4 | 125.3 | 171.7 | -83 | 46.4 | 0 | 0 | 0 | 109.6 | R848 | R848-W850 PolarHBondContact O-N 2.84Å; R848-W850 VanDerWaalsContact O-N 3.09Å | ||
| 851 | Q | 35.2 | Very low | 39.4 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 86% | 0.864 | 68% | 0.68 | S | S | * | * | trans | -65.4 | 135.9 | 164.4 | -70.7 | 173.5 | -25.4 | 0 | 0 | 108.4 | K849 S853 | K849-Q851 PolarHBondContact O-N 2.8Å; Q851-S853 PolarHBondContact O-N 3.45Å | ||
| 852 | A | 36.2 | Very low | 39.7 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 84% | 0.843 | 68% | 0.675 | S | S | * | * | trans | -82 | 104 | -161.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 853 | S | 30.7 | Very low | 40.5 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 67% | 0.666 | S | S | * | * | trans | -85 | 101.4 | 157.8 | 48 | 0 | 0 | 0 | 0 | 109.7 | Q851 Q855 | Q851-S853 PolarHBondContact O-N 3.45Å; S853-Q855 PolarHBondContact O-N 2.63Å; S853-Q855 VanDerWaalsContact O-N 3.13Å | ||
| 854 | A | 40.7 | Very low | 41.3 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | trans | -84.5 | 85.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 855 | Q | 39 | Very low | 42.7 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 85% | 0.846 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -154.3 | 120.8 | 158.5 | -111.7 | 156.7 | 45.5 | 0 | 0 | 113 | S853 | S853-Q855 PolarHBondContact O-N 2.63Å; S853-Q855 VanDerWaalsContact O-N 3.13Å |
| 856 | I | 36.2 | Very low | 44.1 | Very low | 156 Ų | 156 | 121.1 Ų | 121.1 | 80% | 0.8 | 62% | 0.615 | S | S | * | * | trans | 56.8 | 82.2 | 166.9 | -42.8 | 177.3 | 0 | 0 | 0 | 115.3 | P858 | I856-P858 WeakPolarHBondContact O-CD 3.15Š| ||
| 857 | Q | 33 | Very low | 46 | Very low | 191 Ų | 191 | 113 Ų | 113 | 89% | 0.893 | 59% | 0.585 | S | S | * | * | trans | -69.7 | 127.6 | 155.6 | -76.7 | -175.9 | -15.9 | 0 | 0 | 110 | ||||
| 858 | P | 37.1 | Very low | 48.3 | Very low | 67 Ų | 67 | 105.8 Ų | 105.8 | 44% | 0.435 | 55% | 0.548 | S | S | . | . | trans | -71.2 | 146.4 | 161.4 | -8.2 | 25 | 0 | 0 | 0 | 109.6 | I856 N860 P861 | I856-P858 WeakPolarHBondContact O-CD 3.15Å; P858-N860 PolarHBondContact O-N 3.38Å; P858-P861 HydrophobicContact CB-CB 4.34Å; P858-P861 HydrophobicContact CB-CG 4.26Å; P858-P861 HydrophobicContact CG-CB 4.34Å; P858-P861 HydrophobicContact CG-CG 4.21Å; P858-P861 WeakPolarHBondContact O-CD 3.43Å | ||
| 859 | L | 34.4 | Very low | 50.7 | Low | 171 Ų | 171 | 97.9 Ų | 97.9 | 90% | 0.895 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -74.2 | 110 | 167.5 | -82 | 147.1 | 0 | 0 | 0 | 109.2 | ||
| 860 | N | 41.9 | Very low | 53.5 | Low | 141 Ų | 141 | 88.6 Ų | 88.6 | 75% | 0.754 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 57.5 | 60.4 | 176.8 | -57.9 | -34.2 | 0 | 0 | 0 | 116 | P858 T862 | P858-N860 PolarHBondContact O-N 3.38Å; N860-T862 PolarHBondContact O-N 3.4Å |
| 861 | P | 47.4 | Very low | 56.2 | Low | 28 Ų | 28 | 79.2 Ų | 79.2 | 18% | 0.182 | 44% | 0.443 | C | S | . | . | trans | -65.9 | 124.7 | 164 | 30 | -32 | 0 | 0 | 0 | 109.4 | H497 P858 F863 | H497-P861 WeakPolarHBondContact O-CA 3.39Å; H497-P861 WeakPolarHBondContact O-CB 3.48Å; P858-P861 HydrophobicContact CB-CB 4.34Å; P858-P861 HydrophobicContact CB-CG 4.26Å; P858-P861 HydrophobicContact CG-CB 4.34Å; P858-P861 HydrophobicContact CG-CG 4.21Å; P858-P861 WeakPolarHBondContact O-CD 3.43Å; P861-F863 HydrophobicContact CB-CE2 4.39Å; P861-F863 HydrophobicContact CG-CE2 3.76Å; P861-F863 HydrophobicContact CG-CZ 3.99Å; P861-F863 PolarHBondContact O-N 2.96Å | ||
| 862 | T | 51.6 | Low | 59 | Low | 52 Ų | 52 | 70.8 Ų | 70.8 | 32% | 0.319 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 106 | 169.9 | 42.1 | 0 | 0 | 0 | 0 | 108.2 | H497 I498 C499 N860 | H497-T862 PolarHBondContact O-N 2.71Å; I498-T862 VanDerWaalsContact CA-O 3.28Å; I498-T862 WeakPolarHBondContact CA-O 3.36Å; C499-T862 PolarHBondContact N-O 2.78Å; C499-T862 VanDerWaalsContact N-O 3.14Å; N860-T862 PolarHBondContact O-N 3.4Å |
| 863 | F | 56.9 | Low | 61.8 | Low | 116 Ų | 116 | 65.9 Ų | 65.9 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 155.6 | 173.4 | -68.7 | -84.7 | 0 | 0 | 0 | 110.9 | C499 P861 | C499-F863 HydrophobicContact CB-CD1 3.4Å; C499-F863 HydrophobicContact CB-CE1 3.44Å; C499-F863 VanDerWaalsContact CB-CE1 3.44Å; C499-F863 HydrophobicContact CB-CG 4.25Å; C499-F863 HydrophobicContact CB-CZ 4.32Å; C499-F863 CarbonylContact O-C 3.6Å; C499-F863 VanDerWaalsContact O-CA 3.27Å; C499-F863 WeakPolarHBondContact O-CA 3.46Å; C499-F863 WeakPolarHBondContact O-CD1 3.19Å; P861-F863 HydrophobicContact CB-CE2 4.39Å; P861-F863 HydrophobicContact CG-CE2 3.76Å; P861-F863 HydrophobicContact CG-CZ 3.99Å; P861-F863 PolarHBondContact O-N 2.96Å |
| 864 | C | 62.3 | Low | 64.8 | Low | 33 Ų | 33 | 61 Ų | 61 | 22% | 0.223 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 109.2 | 171.3 | -80 | 0 | 0 | 0 | 0 | 108.5 | I498 C499 F500 R501 Y837 L866 | I498-C864 HydrophobicContact CG2-CB 4.1Å; C499-C864 PolarHBondContact O-N 2.97Å; F500-C864 WeakPolarHBondContact CA-O 3.37Å; F500-C864 HydrophobicContact CD1-CB 3.54Å; F500-C864 HydrophobicContact CE1-CB 3.72Å; R501-C864 PolarHBondContact N-O 2.7Å; Y837-C864 HydrophobicContact CD1-CB 4.4Å; Y837-C864 HydrophobicContact CE1-CB 4.31Å; C864-L866 PolarHBondContact O-N 3.26Å; C864-L866 VanDerWaalsContact O-N 3.16Å |
| 865 | S | 71.7 | Confident | 66.9 | Low | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 98.3 | -179.9 | -63 | 0 | 0 | 0 | 0 | 110 | R501 R503 Y837 K838 D840 | R501-S865 CarbonylContact O-C 3.58Å; R501-S865 WeakPolarHBondContact O-CA 3.45Å; R503-S865 PolarHBondContact NH2-OG 2.92Å; Y837-S865 WeakPolarHBondContact CA-O 3.34Å; K838-S865 PolarHBondContact N-O 2.66Å; D840-S865 PolarHBondContact OD1-OG 3.32Å |
| 866 | L | 77.8 | Confident | 69 | Low | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 131.3 | 179 | -76.6 | 178.9 | 0 | 0 | 0 | 110.9 | F500 R501 R502 R503 V835 Y837 C864 | F500-L866 HydrophobicContact CB-CD1 3.83Å; F500-L866 HydrophobicContact CB-CG 4.32Å; F500-L866 HydrophobicContact CD1-CD1 4.07Å; F500-L866 HydrophobicContact CD1-CD2 4.25Å; F500-L866 HydrophobicContact CD1-CG 4.02Å; F500-L866 HydrophobicContact CG-CD1 4.19Å; R501-L866 PolarHBondContact O-N 3.35Å; R502-L866 HydrophobicContact CG-CD1 4.4Å; R503-L866 PolarHBondContact N-O 3.36Å; V835-L866 HydrophobicContact CG1-CD2 3.53Å; Y837-L866 HydrophobicContact CD1-CD2 3.85Å; Y837-L866 HydrophobicContact CE1-CD2 3.52Å; C864-L866 PolarHBondContact O-N 3.26Å; C864-L866 VanDerWaalsContact O-N 3.16Å |
| 867 | L | 82.5 | Confident | 70.9 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 118.7 | 179.3 | -76.3 | -179.1 | 0 | 0 | 0 | 111.3 | I505 Q670 L671 C836 Y837 K838 | I505-L867 HydrophobicContact CB-CD2 4.3Å; I505-L867 HydrophobicContact CD1-CB 4.23Å; I505-L867 HydrophobicContact CG1-CB 3.64Å; I505-L867 HydrophobicContact CG1-CD1 4.43Å; I505-L867 HydrophobicContact CG1-CD2 3.73Å; I505-L867 HydrophobicContact CG1-CG 4.11Å; Q670-L867 PolarHBondContact NE2-O 2.79Å; L671-L867 PolarHBondContact N-O 3.12Å; C836-L867 HydrophobicContact CB-CB 3.72Å; C836-L867 HydrophobicContact CB-CD1 4.23Å; C836-L867 WeakPolarHBondContact O-CB 3.36Å; C836-L867 PolarHBondContact O-N 3.46Å; Y837-L867 VanDerWaalsContact C-CD1 3.43Å; Y837-L867 VanDerWaalsContact O-CD1 3.25Å; Y837-L867 WeakPolarHBondContact O-CD1 3.49Å; K838-L867 HydrophobicContact CB-CD2 3.92Å; K838-L867 HydrophobicContact CB-CG 4.29Å |
| 868 | C | 87.5 | Confident | 72.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 149.3 | -177.4 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | R503 I505 L668 I669 P870 | R503-C868 PolarHBondContact O-N 3.1Å; I505-C868 WeakPolarHBondContact CD1-O 3.22Å; I505-C868 WeakPolarHBondContact CG1-O 3.45Å; I505-C868 PolarHBondContact N-O 3.34Å; L668-C868 HydrophobicContact CB-CB 3.73Å; L668-C868 HydrophobicContact CD2-CB 4.4Å; I669-C868 CarbonylContact O-C 3.58Å; I669-C868 WeakPolarHBondContact O-CA 3.43Å; I669-C868 VanDerWaalsContact O-CB 3.28Å; I669-C868 WeakPolarHBondContact O-CB 3.49Å; C868-P870 WeakPolarHBondContact O-CD 3.48Å |
| 869 | L | 90.9 | Very high | 73.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 118.2 | 160.6 | 174.1 | 68 | 0 | 0 | 0 | 108 | V531 A532 Y535 I669 L671 I871 | V531-L869 HydrophobicContact CG1-CD1 3.79Å; V531-L869 HydrophobicContact CG1-CD2 3.83Å; V531-L869 HydrophobicContact CG1-CG 4.45Å; A532-L869 HydrophobicContact CB-CD2 4.33Å; Y535-L869 HydrophobicContact CD1-CB 4.47Å; Y535-L869 HydrophobicContact CD1-CD1 3.54Å; Y535-L869 HydrophobicContact CE1-CD1 4.01Å; Y535-L869 HydrophobicContact CG-CD1 3.86Å; I669-L869 PolarHBondContact N-O 2.88Å; I669-L869 PolarHBondContact O-N 2.93Å; L671-L869 HydrophobicContact CD1-CB 4.45Å; L671-L869 HydrophobicContact CD2-CB 3.9Å; L671-L869 HydrophobicContact CG-CB 4.31Å; L869-I871 HydrophobicContact CD2-CD1 3.97Å; L869-I871 HydrophobicContact CD2-CG1 4.06Å; L869-I871 HydrophobicContact CG-CD1 4.5Å; L869-I871 HydrophobicContact CG-CG1 4.05Å |
| 870 | P | 92.4 | Very high | 75.7 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 8% | 0.078 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 126.3 | 168.1 | 31.5 | -31.5 | 0 | 0 | 0 | 109.4 | P504 Y535 P666 L668 C868 | P504-P870 HydrophobicContact CB-CG 4.18Å; P504-P870 HydrophobicContact CG-CB 4.45Å; Y535-P870 HydrophobicContact CE1-CG 4.31Å; Y535-P870 VanDerWaalsContact CZ-CD 3.44Å; Y535-P870 VanDerWaalsContact OH-CD 3.24Å; Y535-P870 WeakPolarHBondContact OH-CD 3.48Å; Y535-P870 WeakPolarHBondContact OH-CG 3.15Å; P666-P870 HydrophobicContact CB-CB 3.6Å; L668-P870 HydrophobicContact CD2-CB 3.89Å; C868-P870 WeakPolarHBondContact O-CD 3.48Å |
| 871 | I | 94.6 | Very high | 77.5 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.7 | 163.9 | -57.2 | -173.2 | 0 | 0 | 0 | 107.3 | F556 F558 L607 P666 A667 I669 L869 T873 | F556-I871 CarbonylContact O-C 3.55Å; F556-I871 WeakPolarHBondContact O-CA 3.43Å; F558-I871 HydrophobicContact CB-CD1 4.18Å; F558-I871 HydrophobicContact CB-CG2 3.76Å; L607-I871 HydrophobicContact CD1-CB 4.42Å; L607-I871 HydrophobicContact CD1-CD1 4.2Å; L607-I871 HydrophobicContact CD1-CG2 3.93Å; L607-I871 HydrophobicContact CD2-CB 4.22Å; L607-I871 HydrophobicContact CD2-CG2 4.39Å; P666-I871 CarbonylContact C-O 3.54Å; P666-I871 WeakPolarHBondContact CA-O 3.27Å; A667-I871 PolarHBondContact N-O 2.85Å; A667-I871 PolarHBondContact O-N 2.98Å; I669-I871 HydrophobicContact CD1-CD1 3.65Å; I669-I871 HydrophobicContact CD1-CG1 4.14Å; L869-I871 HydrophobicContact CD2-CD1 3.97Å; L869-I871 HydrophobicContact CD2-CG1 4.06Å; L869-I871 HydrophobicContact CG-CD1 4.5Å; L869-I871 HydrophobicContact CG-CG1 4.05Å; I871-T873 PolarHBondContact O-N 3.34Å |
| 872 | V | 95.1 | Very high | 79.2 | Confident | 8 Ų | 8 | 27.3 Ų | 27.3 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 124.6 | -173.9 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | Q555 F556 Y557 Y659 A663 | Q555-V872 HydrophobicContact CB-CG2 4.08Å; Q555-V872 HydrophobicContact CG-CG2 4.49Å; F556-V872 PolarHBondContact O-N 2.81Å; Y557-V872 HydrophobicContact CD1-CB 4.17Å; Y557-V872 HydrophobicContact CD1-CG1 4.38Å; Y557-V872 HydrophobicContact CE1-CB 3.94Å; Y557-V872 HydrophobicContact CE1-CG1 3.72Å; Y557-V872 HydrophobicContact CE2-CB 4.36Å; Y557-V872 HydrophobicContact CE2-CG2 4.46Å; Y557-V872 HydrophobicContact CG-CB 4.47Å; Y659-V872 VanDerWaalsContact CE2-O 3.3Å; Y659-V872 WeakPolarHBondContact CE2-O 3.48Å; Y659-V872 PolarHBondContact OH-O 3.21Å; A663-V872 VanDerWaalsContact C-CG1 3.44Å; A663-V872 HydrophobicContact CB-CG1 4.06Å; A663-V872 WeakPolarHBondContact O-CG1 3.2Å |
| 873 | T | 94.3 | Very high | 80.8 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | -179.6 | 171.7 | 75.4 | 0 | 0 | 0 | 0 | 110 | L607 D611 Y614 A663 A664 R665 A667 I871 G876 | L607-T873 HydrophobicContact CD2-CG2 3.91Å; D611-T873 HydrophobicContact CB-CG2 4.44Å; D611-T873 WeakPolarHBondContact OD2-CB 3.45Å; D611-T873 PolarHBondContact OD2-OG1 2.99Å; Y614-T873 HydrophobicContact CD2-CG2 4.04Å; Y614-T873 HydrophobicContact CG-CG2 4.3Å; A663-T873 CarbonylContact C-O 3.6Å; A663-T873 WeakPolarHBondContact CA-O 3.15Å; A663-T873 WeakPolarHBondContact CB-O 3.42Å; A664-T873 PolarHBondContact N-O 3.14Å; R665-T873 PolarHBondContact N-O 3.16Å; R665-T873 PolarHBondContact O-N 3.36Å; A667-T873 HydrophobicContact CB-CG2 4.1Å; I871-T873 PolarHBondContact O-N 3.34Å; T873-G876 WeakPolarHBondContact OG1-CA 3.5Å; T873-G876 PolarHBondContact OG1-N 2.87Å |
| 874 | F | 92.8 | Very high | 82.3 | Confident | 3 Ų | 3 | 20.3 Ų | 20.3 | 1% | 0.013 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -68.5 | -50.2 | -171.7 | -68.6 | -77.3 | 0 | 0 | 0 | 112.4 | I87 D611 W613 N617 Y658 Y659 A663 | I87-F874 HydrophobicContact CD1-CB 3.73Å; I87-F874 HydrophobicContact CD1-CD1 4.29Å; I87-F874 HydrophobicContact CD1-CG 4.47Å; D611-F874 WeakPolarHBondContact OD2-CA 3.45Å; D611-F874 PolarHBondContact OD2-N 2.91Å; W613-F874 HydrophobicContact CB-CB 4.1Å; W613-F874 HydrophobicContact CB-CD2 4.14Å; W613-F874 HydrophobicContact CB-CG 4.28Å; W613-F874 AromaticContact CD1-CD1 3.7Å; W613-F874 AromaticContact CD1-CD2 3.8Å; W613-F874 AromaticContact CD1-CG 3.51Å; W613-F874 HydrophobicContact CG-CB 4.4Å; W613-F874 HydrophobicContact CG-CD2 4.31Å; W613-F874 HydrophobicContact CG-CG 4.28Å; N617-F874 HydrophobicContact CB-CE2 4.13Å; N617-F874 HydrophobicContact CB-CZ 4.17Å; Y658-F874 HydrophobicContact CD1-CE1 4.03Å; Y658-F874 AromaticContact CD1-CZ 3.98Å; Y658-F874 HydrophobicContact CD1-CZ 3.98Å; Y658-F874 AromaticContact CE1-CE1 3.54Å; Y658-F874 HydrophobicContact CE1-CE1 3.54Å; Y658-F874 AromaticContact CE1-CZ 3.71Å; Y658-F874 HydrophobicContact CE1-CZ 3.71Å; Y659-F874 HydrophobicContact CD2-CE1 4.41Å; Y659-F874 AromaticContact CD2-CE2 3.87Å; Y659-F874 HydrophobicContact CD2-CE2 3.87Å; Y659-F874 AromaticContact CD2-CZ 3.77Å; Y659-F874 HydrophobicContact CD2-CZ 3.77Å; Y659-F874 HydrophobicContact CG-CZ 4.35Å; A663-F874 HydrophobicContact CB-CD1 3.97Å; A663-F874 HydrophobicContact CB-CE1 4.22Å; A663-F874 HydrophobicContact CB-CG 4.2Å |
| 875 | S | 86.3 | Confident | 83.6 | Confident | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -112.6 | -7.8 | 179.5 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | P122 D611 R665 L878 | P122-S875 WeakPolarHBondContact CB-O 3.29Å; P122-S875 WeakPolarHBondContact CG-O 3.19Å; D611-S875 PolarHBondContact OD2-N 3.41Å; D611-S875 PolarHBondContact OD2-OG 3.42Å; R665-S875 VanDerWaalsContact CD-O 3.26Å; R665-S875 WeakPolarHBondContact CD-O 3.12Å; S875-L878 WeakPolarHBondContact OG-CD2 3.5Å |
| 876 | G | 81.6 | Confident | 84.5 | Confident | 3 Ų | 3 | 20.6 Ų | 20.6 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | trans | 74.6 | -152.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L610 D611 T873 L878 | L610-G876 VanDerWaalsContact O-O 3.09Å; D611-G876 WeakPolarHBondContact CB-O 3.18Å; D611-G876 PolarHBondContact OD2-N 3.12Å; T873-G876 WeakPolarHBondContact OG1-CA 3.5Å; T873-G876 PolarHBondContact OG1-N 2.87Å; G876-L878 PolarHBondContact O-N 2.94Å | ||
| 877 | A | 75.9 | Confident | 85 | Confident | 52 Ų | 52 | 21.4 Ų | 21.4 | 43% | 0.43 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -76 | 119 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | L610 | L610-A877 HydrophobicContact CB-CB 4.5Å; L610-A877 HydrophobicContact CD2-CB 3.82Å |
| 878 | L | 72 | Confident | 85.2 | Confident | 41 Ų | 41 | 22.2 Ų | 22.2 | 22% | 0.215 | 15% | 0.147 | C | C | . | . | trans | -71.1 | 145.2 | 165.4 | -60.9 | -168.4 | 0 | 0 | 0 | 110.8 | P122 Y123 L610 P612 S875 G876 | P122-L878 HydrophobicContact CG-CD2 3.54Å; Y123-L878 HydrophobicContact CE1-CD2 3.79Å; L610-L878 PolarHBondContact O-N 3.26Å; P612-L878 HydrophobicContact CG-CD1 4.06Å; S875-L878 WeakPolarHBondContact OG-CD2 3.5Å; G876-L878 PolarHBondContact O-N 2.94Å | ||
| 879 | P | 59 | Low | 85 | Confident | 140 Ų | 140 | 24.2 Ų | 24.2 | 91% | 0.909 | 16% | 0.16 | S | C | * | . | trans | -81 | 0 | 176.7 | 34.4 | -38.1 | 0 | 0 | 0 | 114.1 | Y123 | Y123-P879 HydrophobicContact CE2-CG 3.78Š|
Retrieved 879 of 879 residues in 1035.1 ms
(Link to these results)