| 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 | 79.2 | Confident | 87.9 | Confident | 187 Ų | 187 | 110.3 Ų | 110.3 | 92% | 0.921 | 58% | 0.576 | S | S | * | * | 0 | -54.6 | 0 | -68 | -173.5 | 81.1 | 0 | 0 | 113 | S3 I4 I5 | M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 2.89Å; M1-I4 PolarHBondContact O-N 2.9Å; M1-I4 VanDerWaalsContact O-N 3.13Å; M1-I5 PolarHBondContact O-N 3.28Å | |||
| 2 | F | 80.8 | Confident | 88.2 | Confident | 163 Ų | 163 | 103.8 Ų | 103.8 | 72% | 0.715 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.5 | -39.2 | -179.3 | -170.2 | -96.9 | 0 | 0 | 0 | 113.6 | I4 I5 F6 | F2-I4 VanDerWaalsContact C-N 3.34Å; F2-I4 PolarHBondContact O-N 3.41Å; F2-I5 PolarHBondContact O-N 3.45Å; F2-F6 HydrophobicContact CE1-CD2 4.41Å; F2-F6 WeakPolarHBondContact O-CB 2.87Å; F2-F6 PolarHBondContact O-N 3.42Å |
| 3 | S | 86.2 | Confident | 88.3 | Confident | 87 Ų | 87 | 110.4 Ų | 110.4 | 61% | 0.608 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59 | -39.5 | 175.5 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | M1 F6 L7 | M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 2.89Å; S3-F6 PolarHBondContact O-N 2.86Å; S3-L7 WeakPolarHBondContact O-CB 3.26Å; S3-L7 PolarHBondContact O-N 2.95Å |
| 4 | I | 89.5 | Confident | 88.5 | Confident | 106 Ų | 106 | 107.4 Ų | 107.4 | 54% | 0.544 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.2 | -44.4 | 178.9 | -60.2 | 173.7 | 0 | 0 | 0 | 110.4 | M1 F2 F6 L7 L8 | M1-I4 PolarHBondContact O-N 2.9Å; M1-I4 VanDerWaalsContact O-N 3.13Å; F2-I4 VanDerWaalsContact C-N 3.34Å; F2-I4 PolarHBondContact O-N 3.41Å; I4-F6 VanDerWaalsContact C-N 3.3Å; I4-F6 PolarHBondContact O-N 3.43Å; I4-L7 PolarHBondContact O-N 3.09Å; I4-L8 HydrophobicContact CG2-CD1 4.3Å; I4-L8 WeakPolarHBondContact O-CG 3.4Å; I4-L8 PolarHBondContact O-N 2.94Å |
| 5 | I | 87.7 | Confident | 88.7 | Confident | 111 Ų | 111 | 105.7 Ų | 105.7 | 57% | 0.569 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 177.3 | -62.1 | 171.7 | 0 | 0 | 0 | 110.3 | M1 F2 L8 A9 | M1-I5 PolarHBondContact O-N 3.28Å; F2-I5 PolarHBondContact O-N 3.45Å; I5-L8 PolarHBondContact O-N 3.27Å; I5-A9 PolarHBondContact O-N 3.25Å |
| 6 | F | 82.6 | Confident | 88.7 | Confident | 125 Ų | 125 | 106.4 Ų | 106.4 | 55% | 0.548 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 177.6 | -156.6 | -101.7 | 0 | 0 | 0 | 112 | F2 S3 I4 A9 I10 | F2-F6 HydrophobicContact CE1-CD2 4.41Å; F2-F6 WeakPolarHBondContact O-CB 2.87Å; F2-F6 PolarHBondContact O-N 3.42Å; S3-F6 PolarHBondContact O-N 2.86Å; I4-F6 VanDerWaalsContact C-N 3.3Å; I4-F6 PolarHBondContact O-N 3.43Å; F6-A9 PolarHBondContact O-N 3.27Å; F6-I10 HydrophobicContact CD1-CD1 3.63Å; F6-I10 HydrophobicContact CD1-CG1 4.35Å; F6-I10 HydrophobicContact CE1-CD1 3.68Å; F6-I10 HydrophobicContact CE1-CG1 4.36Å; F6-I10 WeakPolarHBondContact O-CG1 3.32Å; F6-I10 PolarHBondContact O-N 3.12Å |
| 7 | L | 93.5 | Very high | 88.7 | Confident | 103 Ų | 103 | 103 Ų | 103 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 175.9 | -174.9 | 63.4 | 0 | 0 | 0 | 112 | S3 I4 A9 I10 I11 | S3-L7 WeakPolarHBondContact O-CB 3.26Å; S3-L7 PolarHBondContact O-N 2.95Å; I4-L7 PolarHBondContact O-N 3.09Å; L7-A9 VanDerWaalsContact C-N 3.34Å; L7-A9 PolarHBondContact O-N 3.06Å; L7-I10 PolarHBondContact O-N 3.24Å; L7-I11 HydrophobicContact CD1-CD1 4.46Å; L7-I11 HydrophobicContact CG-CD1 4.11Å; L7-I11 WeakPolarHBondContact O-CG1 3.34Å; L7-I11 PolarHBondContact O-N 3.18Å |
| 8 | L | 94.1 | Very high | 88.9 | Confident | 109 Ų | 109 | 107.6 Ų | 107.6 | 57% | 0.571 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.8 | -39.4 | 176.6 | -70.7 | 173.5 | 0 | 0 | 0 | 112.2 | I4 I5 I10 I11 A12 | I4-L8 HydrophobicContact CG2-CD1 4.3Å; I4-L8 WeakPolarHBondContact O-CG 3.4Å; I4-L8 PolarHBondContact O-N 2.94Å; I5-L8 PolarHBondContact O-N 3.27Å; L8-I10 VanDerWaalsContact C-N 3.35Å; L8-I10 PolarHBondContact O-N 2.77Å; L8-I11 PolarHBondContact O-N 2.88Å; L8-A12 WeakPolarHBondContact O-CB 3.44Å; L8-A12 PolarHBondContact O-N 3.38Å |
| 9 | A | 87.3 | Confident | 89 | Confident | 59 Ų | 59 | 106.1 Ų | 106.1 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I5 F6 L7 R13 | I5-A9 PolarHBondContact O-N 3.25Å; F6-A9 PolarHBondContact O-N 3.27Å; L7-A9 VanDerWaalsContact C-N 3.34Å; L7-A9 PolarHBondContact O-N 3.06Å; A9-R13 WeakPolarHBondContact O-CB 3.08Å; A9-R13 PolarHBondContact O-N 3.13Å; A9-R13 VanDerWaalsContact O-N 3.09Å |
| 10 | I | 92.2 | Very high | 88.8 | Confident | 82 Ų | 82 | 108.7 Ų | 108.7 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -47.8 | 174.7 | -68.5 | 168.2 | 0 | 0 | 0 | 110.2 | F6 L7 L8 A12 R13 V14 | F6-I10 HydrophobicContact CD1-CD1 3.63Å; F6-I10 HydrophobicContact CD1-CG1 4.35Å; F6-I10 HydrophobicContact CE1-CD1 3.68Å; F6-I10 HydrophobicContact CE1-CG1 4.36Å; F6-I10 WeakPolarHBondContact O-CG1 3.32Å; F6-I10 PolarHBondContact O-N 3.12Å; L7-I10 PolarHBondContact O-N 3.24Å; L8-I10 VanDerWaalsContact C-N 3.35Å; L8-I10 PolarHBondContact O-N 2.77Å; I10-A12 PolarHBondContact O-N 2.03Å; I10-R13 PolarHBondContact O-N 3.04Å; I10-R13 VanDerWaalsContact O-N 3.17Å; I10-V14 HydrophobicContact CG2-CG2 4.34Å; I10-V14 WeakPolarHBondContact O-CG2 3Å; I10-V14 PolarHBondContact O-N 3.42Å |
| 11 | I | 94.2 | Very high | 88.9 | Confident | 81 Ų | 81 | 111.3 Ų | 111.3 | 42% | 0.415 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 179.5 | -67.5 | 167.5 | 0 | 0 | 0 | 110.6 | L7 L8 R13 V14 I15 | L7-I11 HydrophobicContact CD1-CD1 4.46Å; L7-I11 HydrophobicContact CG-CD1 4.11Å; L7-I11 WeakPolarHBondContact O-CG1 3.34Å; L7-I11 PolarHBondContact O-N 3.18Å; L8-I11 PolarHBondContact O-N 2.88Å; I11-R13 VanDerWaalsContact C-N 3.3Å; I11-R13 PolarHBondContact O-N 3.03Å; I11-V14 PolarHBondContact O-N 3.41Å; I11-V14 VanDerWaalsContact O-N 3.13Å; I11-I15 HydrophobicContact CG2-CD1 3.85Å; I11-I15 HydrophobicContact CG2-CG1 4.44Å; I11-I15 WeakPolarHBondContact O-CG1 3.24Å; I11-I15 PolarHBondContact O-N 2.87Å |
| 12 | A | 91.3 | Very high | 89.4 | Confident | 33 Ų | 33 | 110.7 Ų | 110.7 | 27% | 0.273 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L8 I10 W16 L49 | L8-A12 WeakPolarHBondContact O-CB 3.44Å; L8-A12 PolarHBondContact O-N 3.38Å; I10-A12 PolarHBondContact O-N 2.03Å; A12-W16 WeakPolarHBondContact O-CB 3.41Å; A12-W16 PolarHBondContact O-N 2.89Å; A12-L49 HydrophobicContact CB-CD2 4.22Å |
| 13 | R | 89.7 | Confident | 89.8 | Confident | 189 Ų | 189 | 103.8 Ų | 103.8 | 71% | 0.713 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66 | -40.1 | 175.4 | -173 | 172.3 | -179.5 | 143.6 | -2.3 | 112 | A9 I10 I11 W16 V17 | A9-R13 WeakPolarHBondContact O-CB 3.08Å; A9-R13 PolarHBondContact O-N 3.13Å; A9-R13 VanDerWaalsContact O-N 3.09Å; I10-R13 PolarHBondContact O-N 3.04Å; I10-R13 VanDerWaalsContact O-N 3.17Å; I11-R13 VanDerWaalsContact C-N 3.3Å; I11-R13 PolarHBondContact O-N 3.03Å; R13-W16 PolarHBondContact O-N 3.26Å; R13-V17 VanDerWaalsContact O-CG2 3.31Å; R13-V17 WeakPolarHBondContact O-CG2 3.45Å; R13-V17 PolarHBondContact O-N 3.09Å |
| 14 | V | 90.8 | Very high | 89.6 | Confident | 68 Ų | 68 | 103.2 Ų | 103.2 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | I10 I11 V17 R18 | I10-V14 HydrophobicContact CG2-CG2 4.34Å; I10-V14 WeakPolarHBondContact O-CG2 3Å; I10-V14 PolarHBondContact O-N 3.42Å; I11-V14 PolarHBondContact O-N 3.41Å; I11-V14 VanDerWaalsContact O-N 3.13Å; V14-V17 PolarHBondContact O-N 2.95Å; V14-R18 WeakPolarHBondContact O-CG 3.46Å; V14-R18 PolarHBondContact O-N 3.08Å |
| 15 | I | 92.1 | Very high | 89.6 | Confident | 83 Ų | 83 | 107.2 Ų | 107.2 | 43% | 0.426 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 176.1 | -66.9 | 168.4 | 0 | 0 | 0 | 110 | I11 V17 R18 E19 | I11-I15 HydrophobicContact CG2-CD1 3.85Å; I11-I15 HydrophobicContact CG2-CG1 4.44Å; I11-I15 WeakPolarHBondContact O-CG1 3.24Å; I11-I15 PolarHBondContact O-N 2.87Å; I15-V17 PolarHBondContact O-N 3.19Å; I15-R18 PolarHBondContact O-N 3.3Å; I15-R18 VanDerWaalsContact O-N 3.14Å; I15-E19 PolarHBondContact O-N 2.91Å |
| 16 | W | 88 | Confident | 89.6 | Confident | 116 Ų | 116 | 106.5 Ų | 106.5 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 178.8 | -178.6 | 82.4 | 0 | 0 | 0 | 112.9 | A12 R13 R20 | A12-W16 WeakPolarHBondContact O-CB 3.41Å; A12-W16 PolarHBondContact O-N 2.89Å; R13-W16 PolarHBondContact O-N 3.26Å; W16-R20 WeakPolarHBondContact O-CB 3.22Å; W16-R20 PolarHBondContact O-N 2.79Å |
| 17 | V | 89.1 | Confident | 89.6 | Confident | 49 Ų | 49 | 101.4 Ų | 101.4 | 30% | 0.297 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 177.1 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | R13 V14 I15 R21 | R13-V17 VanDerWaalsContact O-CG2 3.31Å; R13-V17 WeakPolarHBondContact O-CG2 3.45Å; R13-V17 PolarHBondContact O-N 3.09Å; V14-V17 PolarHBondContact O-N 2.95Å; I15-V17 PolarHBondContact O-N 3.19Å; V17-R21 WeakPolarHBondContact O-CB 3.42Å; V17-R21 WeakPolarHBondContact O-CG 3.41Å; V17-R21 PolarHBondContact O-N 2.95Å |
| 18 | R | 91.8 | Very high | 89 | Confident | 186 Ų | 186 | 104.6 Ų | 104.6 | 70% | 0.702 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.1 | -46.9 | 178 | -77.4 | -176.7 | 175.8 | -178.3 | -0.5 | 111.8 | V14 I15 R20 R21 R22 | V14-R18 WeakPolarHBondContact O-CG 3.46Å; V14-R18 PolarHBondContact O-N 3.08Å; I15-R18 PolarHBondContact O-N 3.3Å; I15-R18 VanDerWaalsContact O-N 3.14Å; R18-R20 PolarHBondContact O-N 2.91Å; R18-R21 PolarHBondContact O-N 3.48Å; R18-R22 WeakPolarHBondContact O-CB 3.45Å; R18-R22 PolarHBondContact O-N 2.86Å |
| 19 | E | 91.5 | Very high | 88.2 | Confident | 78 Ų | 78 | 102.9 Ų | 102.9 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 177.7 | -75.6 | -178.6 | 151.2 | 0 | 0 | 112.1 | I15 R21 R22 C23 L45 | I15-E19 PolarHBondContact O-N 2.91Å; E19-R21 VanDerWaalsContact C-N 3.32Å; E19-R21 PolarHBondContact O-N 2.95Å; E19-R22 PolarHBondContact O-N 3.01Å; E19-C23 WeakPolarHBondContact O-CB 3.29Å; E19-C23 PolarHBondContact O-N 3.03Å; E19-L45 WeakPolarHBondContact OE2-CD1 3.08Å; E19-L45 WeakPolarHBondContact OE2-CD2 3.45Å |
| 20 | R | 84.3 | Confident | 87.7 | Confident | 159 Ų | 159 | 102.1 Ų | 102.1 | 60% | 0.6 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.4 | -42.6 | 176.5 | -170.4 | 176.3 | -177.2 | -161.3 | 0.2 | 111.5 | W16 R18 V24 | W16-R20 WeakPolarHBondContact O-CB 3.22Å; W16-R20 PolarHBondContact O-N 2.79Å; R18-R20 PolarHBondContact O-N 2.91Å; R20-V24 VanDerWaalsContact O-CG2 3.24Å; R20-V24 WeakPolarHBondContact O-CG2 3.2Å; R20-V24 PolarHBondContact O-N 3.28Å |
| 21 | R | 91 | Very high | 86.5 | Confident | 164 Ų | 164 | 102.7 Ų | 102.7 | 62% | 0.619 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66 | -41.9 | 176.3 | -75.6 | 180 | -179.3 | -170.6 | 1 | 111.9 | V17 R18 E19 V24 R25 | V17-R21 WeakPolarHBondContact O-CB 3.42Å; V17-R21 WeakPolarHBondContact O-CG 3.41Å; V17-R21 PolarHBondContact O-N 2.95Å; R18-R21 PolarHBondContact O-N 3.48Å; E19-R21 VanDerWaalsContact C-N 3.32Å; E19-R21 PolarHBondContact O-N 2.95Å; R21-V24 PolarHBondContact O-N 3.42Å; R21-R25 WeakPolarHBondContact O-CG 3.34Å; R21-R25 PolarHBondContact O-N 3.08Å |
| 22 | R | 89.6 | Confident | 84.9 | Confident | 173 Ų | 173 | 104.2 Ų | 104.2 | 65% | 0.653 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.4 | -48.4 | 176.9 | -174.1 | 175.9 | -179.2 | 164.8 | 7.5 | 110.8 | R18 E19 V24 R25 E26 | R18-R22 WeakPolarHBondContact O-CB 3.45Å; R18-R22 PolarHBondContact O-N 2.86Å; E19-R22 PolarHBondContact O-N 3.01Å; R22-V24 PolarHBondContact O-N 3.24Å; R22-R25 PolarHBondContact O-N 3.27Å; R22-R25 VanDerWaalsContact O-N 3.13Å; R22-E26 WeakPolarHBondContact CG-OE1 3.35Å; R22-E26 IonicContact NE-OE1 3.09Å; R22-E26 PolarHBondContact NE-OE1 3.02Å; R22-E26 VanDerWaalsContact NE-OE1 3.09Å; R22-E26 WeakPolarHBondContact O-CG 3.23Å; R22-E26 PolarHBondContact O-N 3.43Å |
| 23 | C | 88.8 | Confident | 83.5 | Confident | 19 Ų | 19 | 111.9 Ų | 111.9 | 13% | 0.128 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 179 | -154.9 | 0 | 0 | 0 | 0 | 112.5 | E19 R25 E26 A27 C38 | E19-C23 WeakPolarHBondContact O-CB 3.29Å; E19-C23 PolarHBondContact O-N 3.03Å; C23-R25 VanDerWaalsContact C-N 3.29Å; C23-R25 PolarHBondContact O-N 2.69Å; C23-E26 PolarHBondContact O-N 3.44Å; C23-A27 VanDerWaalsContact O-CB 3.32Å; C23-A27 WeakPolarHBondContact O-CB 3.49Å; C23-A27 PolarHBondContact O-N 3.49Å; C23-C38 HydrophobicContact CB-CB 4.07Å; C23-C38 WeakPolarHBondContact CB-SG 3.29Å; C23-C38 PolarHBondContact O-SG 2.8Å; C23-C38 WeakPolarHBondContact SG-CA 2.71Å; C23-C38 WeakPolarHBondContact SG-CB 3.13Å; C23-C38 CovalentContact SG-SG 2.03Å; C23-C38 PolarHBondContact SG-SG 3.4Å |
| 24 | V | 83.3 | Confident | 81.9 | Confident | 75 Ų | 75 | 108.5 Ų | 108.5 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -33.1 | 176.2 | 171.2 | 0 | 0 | 0 | 0 | 112.1 | R20 R21 R22 K28 | R20-V24 VanDerWaalsContact O-CG2 3.24Å; R20-V24 WeakPolarHBondContact O-CG2 3.2Å; R20-V24 PolarHBondContact O-N 3.28Å; R21-V24 PolarHBondContact O-N 3.42Å; R22-V24 PolarHBondContact O-N 3.24Å; V24-K28 WeakPolarHBondContact O-CG 3.38Å; V24-K28 PolarHBondContact O-N 2.98Å |
| 25 | R | 89 | Confident | 80.2 | Confident | 189 Ų | 189 | 112 Ų | 112 | 71% | 0.713 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.1 | -43.9 | 173.7 | -71.4 | -179 | -161.5 | 175.3 | 2.1 | 111.5 | R21 R22 C23 A27 K28 | R21-R25 WeakPolarHBondContact O-CG 3.34Å; R21-R25 PolarHBondContact O-N 3.08Å; R22-R25 PolarHBondContact O-N 3.27Å; R22-R25 VanDerWaalsContact O-N 3.13Å; C23-R25 VanDerWaalsContact C-N 3.29Å; C23-R25 PolarHBondContact O-N 2.69Å; R25-A27 VanDerWaalsContact C-N 3.29Å; R25-A27 PolarHBondContact O-N 2.93Å; R25-K28 PolarHBondContact O-N 3.06Å |
| 26 | E | 86.9 | Confident | 78.8 | Confident | 96 Ų | 96 | 112.8 Ų | 112.8 | 45% | 0.449 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 176.1 | -70.6 | 169.9 | -172.2 | 0 | 0 | 111.2 | R22 C23 K28 | R22-E26 WeakPolarHBondContact CG-OE1 3.35Å; R22-E26 IonicContact NE-OE1 3.09Å; R22-E26 PolarHBondContact NE-OE1 3.02Å; R22-E26 VanDerWaalsContact NE-OE1 3.09Å; R22-E26 WeakPolarHBondContact O-CG 3.23Å; R22-E26 PolarHBondContact O-N 3.43Å; C23-E26 PolarHBondContact O-N 3.44Å; E26-K28 PolarHBondContact O-N 3.04Å |
| 27 | A | 82.2 | Confident | 77.3 | Confident | 18 Ų | 18 | 110.4 Ų | 110.4 | 15% | 0.149 | 53% | 0.531 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -5.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C23 R25 G29 T30 | C23-A27 VanDerWaalsContact O-CB 3.32Å; C23-A27 WeakPolarHBondContact O-CB 3.49Å; C23-A27 PolarHBondContact O-N 3.49Å; R25-A27 VanDerWaalsContact C-N 3.29Å; R25-A27 PolarHBondContact O-N 2.93Å; A27-G29 VanDerWaalsContact C-N 3.29Å; A27-T30 PolarHBondContact O-OG1 3.14Å |
| 28 | K | 81.3 | Confident | 76.3 | Confident | 170 Ų | 170 | 109.5 Ų | 109.5 | 74% | 0.739 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -15.5 | 177 | -90.1 | -178.2 | 179.1 | -166.8 | 0 | 113.2 | V24 R25 E26 | V24-K28 WeakPolarHBondContact O-CG 3.38Å; V24-K28 PolarHBondContact O-N 2.98Å; R25-K28 PolarHBondContact O-N 3.06Å; E26-K28 PolarHBondContact O-N 3.04Å |
| 29 | G | 78.3 | Confident | 74.7 | Confident | 74 Ų | 74 | 109.8 Ų | 109.8 | 76% | 0.763 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -102.9 | -3.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A27 | A27-G29 VanDerWaalsContact C-N 3.29Š|
| 30 | T | 75.9 | Confident | 73 | Confident | 42 Ų | 42 | 112 Ų | 112 | 26% | 0.258 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -99 | 135.9 | -177.1 | 47.1 | 0 | 0 | 0 | 0 | 112.2 | A27 | A27-T30 PolarHBondContact O-OG1 3.14Š|
| 31 | P | 66.8 | Low | 71.6 | Confident | 95 Ų | 95 | 112.3 Ų | 112.3 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | trans | -57.4 | 151.4 | 175.4 | 23 | -31.3 | 0 | 0 | 0 | 110.7 | E33 Q34 | P31-E33 PolarHBondContact O-N 3.44Å; P31-Q34 PolarHBondContact O-N 3.39Å | ||
| 32 | V | 61.8 | Low | 70 | Confident | 113 Ų | 113 | 107.1 Ų | 107.1 | 69% | 0.685 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -52 | -26.7 | -163.3 | 176 | 0 | 0 | 0 | 0 | 114.1 | Q34 | V32-Q34 VanDerWaalsContact C-N 3.32Å; V32-Q34 PolarHBondContact O-N 3.3Å |
| 33 | E | 61.6 | Low | 68.1 | Low | 193 Ų | 193 | 101.5 Ų | 101.5 | 90% | 0.902 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -73.5 | -12.2 | 177.9 | -71.9 | -177.9 | 143.8 | 0 | 0 | 115.3 | P31 | P31-E33 PolarHBondContact O-N 3.44Š|
| 34 | Q | 56.9 | Low | 66.2 | Low | 119 Ų | 119 | 103.6 Ų | 103.6 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -109.3 | 25.4 | 176.2 | -72.7 | -173.8 | 6.4 | 0 | 0 | 113.5 | P31 V32 P37 | P31-Q34 PolarHBondContact O-N 3.39Å; V32-Q34 VanDerWaalsContact C-N 3.32Å; V32-Q34 PolarHBondContact O-N 3.3Å; Q34-P37 WeakPolarHBondContact O-CD 3.37Å; Q34-P37 VanDerWaalsContact O-CG 3.26Å; Q34-P37 WeakPolarHBondContact O-CG 3.44Å |
| 35 | R | 55.1 | Low | 64.5 | Low | 142 Ų | 142 | 102.4 Ų | 102.4 | 54% | 0.536 | 53% | 0.527 | S | S | . | . | trans | -87.1 | -5.1 | 178.6 | -77.5 | -177.5 | 177.4 | 175 | 2.6 | 115.5 | ||||
| 36 | D | 61.2 | Low | 62.4 | Low | 99 Ų | 99 | 103.3 Ų | 103.3 | 53% | 0.529 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -19.1 | 173.1 | -93 | -28.5 | 0 | 0 | 0 | 118.2 | C38 R39 L40 | D36-C38 PolarHBondContact O-N 3.39Å; D36-R39 WeakPolarHBondContact O-CB 3.28Å; D36-R39 PolarHBondContact O-N 3.34Å; D36-L40 PolarHBondContact O-N 3.03Å; D36-L40 VanDerWaalsContact O-N 3.09Å |
| 37 | P | 57.5 | Low | 60.1 | Low | 66 Ų | 66 | 108.8 Ų | 108.8 | 43% | 0.429 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.3 | -26.6 | -176.3 | 23.4 | -28.5 | 0 | 0 | 0 | 112.6 | Q34 R39 R41 | Q34-P37 WeakPolarHBondContact O-CD 3.37Å; Q34-P37 VanDerWaalsContact O-CG 3.26Å; Q34-P37 WeakPolarHBondContact O-CG 3.44Å; P37-R39 VanDerWaalsContact C-N 3.32Å; P37-R41 WeakPolarHBondContact O-CB 3.12Å; P37-R41 PolarHBondContact O-N 3.02Å; P37-R41 VanDerWaalsContact O-N 3.08Å |
| 38 | C | 68.4 | Low | 58.1 | Low | 30 Ų | 30 | 115 Ų | 115 | 20% | 0.203 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -73.6 | -24.1 | 173.3 | -68.3 | 0 | 0 | 0 | 0 | 113.7 | C23 D36 S42 | C23-C38 HydrophobicContact CB-CB 4.07Å; C23-C38 WeakPolarHBondContact CB-SG 3.29Å; C23-C38 PolarHBondContact O-SG 2.8Å; C23-C38 WeakPolarHBondContact SG-CA 2.71Å; C23-C38 WeakPolarHBondContact SG-CB 3.13Å; C23-C38 CovalentContact SG-SG 2.03Å; C23-C38 PolarHBondContact SG-SG 3.4Å; D36-C38 PolarHBondContact O-N 3.39Å; C38-S42 WeakPolarHBondContact O-CB 3.37Å; C38-S42 PolarHBondContact O-N 2.77Å; C38-S42 PolarHBondContact O-OG 3.35Å |
| 39 | R | 57.7 | Low | 55.9 | Low | 192 Ų | 192 | 110.5 Ų | 110.5 | 73% | 0.725 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -81.9 | -38.2 | 178.3 | -150.6 | 177.1 | -177.7 | -172 | -0.4 | 111.1 | D36 P37 S42 A43 | D36-R39 WeakPolarHBondContact O-CB 3.28Å; D36-R39 PolarHBondContact O-N 3.34Å; P37-R39 VanDerWaalsContact C-N 3.32Å; R39-S42 PolarHBondContact O-OG 3.04Å; R39-S42 VanDerWaalsContact O-OG 3.08Å; R39-A43 PolarHBondContact O-N 2.02Å |
| 40 | L | 56 | Low | 53.8 | Low | 125 Ų | 125 | 113.6 Ų | 113.6 | 65% | 0.654 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.5 | -42.2 | 176.8 | -72.6 | 166.4 | 0 | 0 | 0 | 112.9 | D36 S42 A43 S44 | D36-L40 PolarHBondContact O-N 3.03Å; D36-L40 VanDerWaalsContact O-N 3.09Å; L40-S42 VanDerWaalsContact C-N 3.35Å; L40-S42 PolarHBondContact O-N 3.13Å; L40-A43 PolarHBondContact O-N 3.36Å; L40-S44 PolarHBondContact O-N 3.18Å |
| 41 | R | 55 | Low | 51.6 | Low | 164 Ų | 164 | 116.5 Ų | 116.5 | 62% | 0.619 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.8 | -36.6 | 176.1 | -80.6 | -176.7 | 172.3 | 177.2 | -1.7 | 112.8 | P37 S44 L45 | P37-R41 WeakPolarHBondContact O-CB 3.12Å; P37-R41 PolarHBondContact O-N 3.02Å; P37-R41 VanDerWaalsContact O-N 3.08Å; R41-S44 PolarHBondContact O-N 2.99Å; R41-L45 PolarHBondContact O-N 3.46Å |
| 42 | S | 56.6 | Low | 49.8 | Very low | 56 Ų | 56 | 117 Ų | 117 | 39% | 0.392 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.7 | -26 | 176.5 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | C38 R39 L40 R46 | C38-S42 WeakPolarHBondContact O-CB 3.37Å; C38-S42 PolarHBondContact O-N 2.77Å; C38-S42 PolarHBondContact O-OG 3.35Å; R39-S42 PolarHBondContact O-OG 3.04Å; R39-S42 VanDerWaalsContact O-OG 3.08Å; L40-S42 VanDerWaalsContact C-N 3.35Å; L40-S42 PolarHBondContact O-N 3.13Å; S42-R46 PolarHBondContact O-N 2.97Å |
| 43 | A | 50.6 | Low | 48.4 | Very low | 55 Ų | 55 | 116.4 Ų | 116.4 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -74 | -37 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R39 L40 R46 | R39-A43 PolarHBondContact O-N 2.02Å; L40-A43 PolarHBondContact O-N 3.36Å; A43-R46 PolarHBondContact O-N 3.34Å |
| 44 | S | 49.4 | Very low | 46.9 | Very low | 62 Ų | 62 | 112 Ų | 112 | 43% | 0.434 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.2 | -46.7 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | L40 R41 R46 R47 H48 | L40-S44 PolarHBondContact O-N 3.18Å; R41-S44 PolarHBondContact O-N 2.99Å; S44-R46 VanDerWaalsContact C-N 3.28Å; S44-R46 PolarHBondContact O-N 3.49Å; S44-R47 PolarHBondContact O-N 3.29Å; S44-H48 PolarHBondContact O-CD2 3.28Å; S44-H48 VanDerWaalsContact O-CD2 3.3Å; S44-H48 PolarHBondContact O-N 3.27Å; S44-H48 VanDerWaalsContact O-N 3.14Å |
| 45 | L | 45.7 | Very low | 45.7 | Very low | 51 Ų | 51 | 108.8 Ų | 108.8 | 27% | 0.267 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.4 | -34.5 | 175.5 | -91.4 | 142.3 | 0 | 0 | 0 | 112.8 | E19 R41 R47 H48 L49 | E19-L45 WeakPolarHBondContact OE2-CD1 3.08Å; E19-L45 WeakPolarHBondContact OE2-CD2 3.45Å; R41-L45 PolarHBondContact O-N 3.46Å; L45-R47 PolarHBondContact O-N 2.95Å; L45-H48 PolarHBondContact O-N 3.02Å; L45-L49 HydrophobicContact CD2-CD1 3.7Å; L45-L49 WeakPolarHBondContact O-CB 3.47Å; L45-L49 PolarHBondContact O-N 2.94Å |
| 46 | R | 45.1 | Very low | 44.6 | Very low | 208 Ų | 208 | 104.5 Ų | 104.5 | 79% | 0.785 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.1 | -22.1 | 173.5 | -107.1 | -176.8 | 176.3 | -170.7 | -0.6 | 114.3 | S42 A43 S44 | S42-R46 PolarHBondContact O-N 2.97Å; A43-R46 PolarHBondContact O-N 3.34Å; S44-R46 VanDerWaalsContact C-N 3.28Å; S44-R46 PolarHBondContact O-N 3.49Å |
| 47 | R | 39.3 | Very low | 43.4 | Very low | 210 Ų | 210 | 111 Ų | 111 | 79% | 0.792 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -90.8 | -24.4 | 175.8 | -73.9 | -178.4 | 178 | 174.3 | -0.5 | 112.7 | S44 L45 | S44-R47 PolarHBondContact O-N 3.29Å; L45-R47 PolarHBondContact O-N 2.95Å |
| 48 | H | 39.7 | Very low | 42.2 | Very low | 150 Ų | 150 | 114.3 Ų | 114.3 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -100.3 | -13.5 | -179.9 | -68.8 | -71.9 | 0 | 0 | 0 | 114.8 | S44 L45 I50 | S44-H48 PolarHBondContact O-CD2 3.28Å; S44-H48 VanDerWaalsContact O-CD2 3.3Å; S44-H48 PolarHBondContact O-N 3.27Å; S44-H48 VanDerWaalsContact O-N 3.14Å; L45-H48 PolarHBondContact O-N 3.02Å; H48-I50 VanDerWaalsContact C-N 3.28Å; H48-I50 PolarHBondContact O-N 2.88Å |
| 49 | L | 36.4 | Very low | 40.5 | Very low | 75 Ų | 75 | 115.7 Ų | 115.7 | 39% | 0.393 | 62% | 0.621 | S | S | . | * | trans | -89.4 | 24.4 | 170.2 | -102.9 | 140.7 | 0 | 0 | 0 | 113.9 | A12 L45 V51 | A12-L49 HydrophobicContact CB-CD2 4.22Å; L45-L49 HydrophobicContact CD2-CD1 3.7Å; L45-L49 WeakPolarHBondContact O-CB 3.47Å; L45-L49 PolarHBondContact O-N 2.94Å; L49-V51 HydrophobicContact CD2-CG2 4.21Å; L49-V51 PolarHBondContact O-N 3.14Å; L49-V51 VanDerWaalsContact O-N 3.11Å | ||
| 50 | I | 34.4 | Very low | 39.1 | Very low | 138 Ų | 138 | 114.5 Ų | 114.5 | 71% | 0.708 | 62% | 0.617 | S | S | * | * | trans | -80.4 | 74.2 | 151.6 | -54.4 | 177.4 | 0 | 0 | 0 | 105.6 | H48 | H48-I50 VanDerWaalsContact C-N 3.28Å; H48-I50 PolarHBondContact O-N 2.88Å | ||
| 51 | V | 29.4 | Very low | 37.7 | Very low | 103 Ų | 103 | 117.3 Ų | 117.3 | 62% | 0.624 | 62% | 0.619 | S | S | * | * | trans | -59.3 | 123.4 | 168.7 | 175.5 | 0 | 0 | 0 | 0 | 106.3 | L49 A53 | L49-V51 HydrophobicContact CD2-CG2 4.21Å; L49-V51 PolarHBondContact O-N 3.14Å; L49-V51 VanDerWaalsContact O-N 3.11Å; V51-A53 PolarHBondContact O-N 3.44Å; V51-A53 VanDerWaalsContact O-N 3.12Å | ||
| 52 | P | 28.8 | Very low | 36.5 | Very low | 105 Ų | 105 | 114.6 Ų | 114.6 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | trans | -62.7 | 120.6 | 178.3 | 27 | -31.1 | 0 | 0 | 0 | 106.6 | A54 | P52-A54 PolarHBondContact O-N 3.12Š| ||
| 53 | A | 32.5 | Very low | 35.2 | Very low | 101 Ų | 101 | 116 Ų | 116 | 84% | 0.835 | 62% | 0.621 | S | S | * | * | trans | -62.6 | 87.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | V51 G55 | V51-A53 PolarHBondContact O-N 3.44Å; V51-A53 VanDerWaalsContact O-N 3.12Å; A53-G55 PolarHBondContact O-N 3.36Å | ||
| 54 | A | 29.7 | Very low | 34.1 | Very low | 101 Ų | 101 | 118 Ų | 118 | 84% | 0.835 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.1 | 123.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | P52 | P52-A54 PolarHBondContact O-N 3.12Š|
| 55 | G | 30.9 | Very low | 33.1 | Very low | 52 Ų | 52 | 120.8 Ų | 120.8 | 54% | 0.536 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 139.9 | -4.8 | 175 | 0 | 0 | 0 | 0 | 0 | 116.6 | A53 R57 L58 | A53-G55 PolarHBondContact O-N 3.36Å; G55-R57 VanDerWaalsContact C-N 3.28Å; G55-R57 PolarHBondContact O-N 3.16Å; G55-L58 PolarHBondContact O-N 2.97Å |
| 56 | G | 33.4 | Very low | 32.5 | Very low | 51 Ų | 51 | 125.4 Ų | 125.4 | 53% | 0.526 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -59.4 | -20.1 | -169 | 0 | 0 | 0 | 0 | 0 | 117.8 | W60 | G56-W60 WeakPolarHBondContact O-CB 3.31Å; G56-W60 PolarHBondContact O-N 3.07Å |
| 57 | R | 34.7 | Very low | 31.9 | Very low | 236 Ų | 236 | 121.3 Ų | 121.3 | 89% | 0.891 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.6 | -30.2 | 178.9 | -76.2 | -173.4 | -179.3 | -175.5 | 0.3 | 113.9 | G55 | G55-R57 VanDerWaalsContact C-N 3.28Å; G55-R57 PolarHBondContact O-N 3.16Å |
| 58 | L | 32.8 | Very low | 31.5 | Very low | 135 Ų | 135 | 118 Ų | 118 | 71% | 0.707 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -89.5 | -36.5 | -177.6 | -119.5 | 101.2 | 0 | 0 | 0 | 112.5 | G55 W60 I62 | G55-L58 PolarHBondContact O-N 2.97Å; L58-W60 VanDerWaalsContact C-N 3.31Å; L58-W60 PolarHBondContact O-N 3.01Å; L58-I62 WeakPolarHBondContact O-CG1 3.25Å; L58-I62 PolarHBondContact O-N 2.9Å |
| 59 | A | 31.6 | Very low | 31.1 | Very low | 60 Ų | 60 | 120.3 Ų | 120.3 | 50% | 0.496 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.8 | -30.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V63 | A59-V63 VanDerWaalsContact O-CG2 3.26Å; A59-V63 WeakPolarHBondContact O-CG2 3.47Å; A59-V63 PolarHBondContact O-N 3.27Å; A59-V63 VanDerWaalsContact O-N 3.16Å |
| 60 | W | 29.9 | Very low | 30.8 | Very low | 166 Ų | 166 | 120.5 Ų | 120.5 | 63% | 0.629 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.5 | -44.6 | 176.5 | -156.2 | -87.5 | 0 | 0 | 0 | 111.9 | G56 L58 I62 V63 E64 | G56-W60 WeakPolarHBondContact O-CB 3.31Å; G56-W60 PolarHBondContact O-N 3.07Å; L58-W60 VanDerWaalsContact C-N 3.31Å; L58-W60 PolarHBondContact O-N 3.01Å; W60-I62 VanDerWaalsContact C-N 3.35Å; W60-I62 PolarHBondContact O-N 3.31Å; W60-V63 PolarHBondContact O-N 2.9Å; W60-E64 WeakPolarHBondContact O-CB 3.35Å; W60-E64 PolarHBondContact O-N 3.43Å |
| 61 | R | 25.2 | Very low | 30.6 | Very low | 184 Ų | 184 | 119.3 Ų | 119.3 | 69% | 0.694 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.7 | -35 | 177.4 | -83.7 | -165.5 | 173.1 | -172.8 | -1.3 | 113.8 | L65 | R61-L65 WeakPolarHBondContact O-CB 3.39Å; R61-L65 WeakPolarHBondContact O-CD1 3.39Å; R61-L65 WeakPolarHBondContact O-CG 3.34Å; R61-L65 PolarHBondContact O-N 3.42Å |
| 62 | I | 29.7 | Very low | 30.6 | Very low | 107 Ų | 107 | 118.4 Ų | 118.4 | 55% | 0.549 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -77.4 | -31.9 | -178.5 | -64.5 | 170.1 | 0 | 0 | 0 | 111.3 | L58 W60 Q66 | L58-I62 WeakPolarHBondContact O-CG1 3.25Å; L58-I62 PolarHBondContact O-N 2.9Å; W60-I62 VanDerWaalsContact C-N 3.35Å; W60-I62 PolarHBondContact O-N 3.31Å; I62-Q66 PolarHBondContact O-N 3.35Å |
| 63 | V | 29.2 | Very low | 30.5 | Very low | 85 Ų | 85 | 117.2 Ų | 117.2 | 52% | 0.515 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -75.1 | -34.7 | 172.4 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | A59 W60 F67 | A59-V63 VanDerWaalsContact O-CG2 3.26Å; A59-V63 WeakPolarHBondContact O-CG2 3.47Å; A59-V63 PolarHBondContact O-N 3.27Å; A59-V63 VanDerWaalsContact O-N 3.16Å; W60-V63 PolarHBondContact O-N 2.9Å; V63-F67 HydrophobicContact CG1-CD2 3.99Å; V63-F67 HydrophobicContact CG1-CE2 4.12Å; V63-F67 WeakPolarHBondContact O-CD2 3.47Å; V63-F67 PolarHBondContact O-N 3.33Å |
| 64 | E | 28.1 | Very low | 30.3 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 46% | 0.463 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.9 | -32.2 | 176.6 | -160.4 | 164.1 | -142.9 | 0 | 0 | 112.5 | W60 Q68 | W60-E64 WeakPolarHBondContact O-CB 3.35Å; W60-E64 PolarHBondContact O-N 3.43Å; E64-Q68 WeakPolarHBondContact O-CG 3.45Å; E64-Q68 PolarHBondContact O-N 3.28Å |
| 65 | L | 29.3 | Very low | 30.4 | Very low | 119 Ų | 119 | 119.2 Ų | 119.2 | 62% | 0.623 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.3 | -26.9 | 177.1 | -84.6 | 160.3 | 0 | 0 | 0 | 114.9 | R61 | R61-L65 WeakPolarHBondContact O-CB 3.39Å; R61-L65 WeakPolarHBondContact O-CD1 3.39Å; R61-L65 WeakPolarHBondContact O-CG 3.34Å; R61-L65 PolarHBondContact O-N 3.42Å |
| 66 | Q | 31.7 | Very low | 30.3 | Very low | 149 Ų | 149 | 120.8 Ų | 120.8 | 70% | 0.696 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -87.2 | -25.3 | 175.8 | -81 | -164.7 | -20.7 | 0 | 0 | 113.5 | I62 S70 | I62-Q66 PolarHBondContact O-N 3.35Å; Q66-S70 PolarHBondContact O-OG 3.46Å |
| 67 | F | 32.7 | Very low | 30 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 54% | 0.535 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -76.9 | -24.2 | 175.7 | -93.5 | -96.7 | 0 | 0 | 0 | 113.4 | V63 K69 F71 | V63-F67 HydrophobicContact CG1-CD2 3.99Å; V63-F67 HydrophobicContact CG1-CE2 4.12Å; V63-F67 WeakPolarHBondContact O-CD2 3.47Å; V63-F67 PolarHBondContact O-N 3.33Å; F67-K69 PolarHBondContact O-N 3.14Å; F67-F71 AromaticContact CD1-CD2 3.99Å; F67-F71 HydrophobicContact CD1-CD2 3.99Å; F67-F71 HydrophobicContact CD1-CE2 4.38Å; F67-F71 HydrophobicContact CE1-CD2 4.2Å; F67-F71 HydrophobicContact CE1-CE2 4.24Å; F67-F71 WeakPolarHBondContact O-CB 3.43Å; F67-F71 PolarHBondContact O-N 3.32Å |
| 68 | Q | 31.6 | Very low | 29.7 | Very low | 140 Ų | 140 | 119.8 Ų | 119.8 | 65% | 0.654 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.9 | -21.3 | -178.6 | -80.3 | -177.1 | -8.6 | 0 | 0 | 115.4 | E64 | E64-Q68 WeakPolarHBondContact O-CG 3.45Å; E64-Q68 PolarHBondContact O-N 3.28Å |
| 69 | K | 30.5 | Very low | 29.5 | Very low | 199 Ų | 199 | 117.9 Ų | 117.9 | 87% | 0.865 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -102.4 | -14 | -178.1 | -74.3 | -171.4 | 176.2 | -176.6 | 0 | 115.3 | F67 | F67-K69 PolarHBondContact O-N 3.14Å |
| 70 | S | 30.5 | Very low | 29.4 | Very low | 78 Ų | 78 | 120.1 Ų | 120.1 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -113.4 | -12 | -176 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | Q66 | Q66-S70 PolarHBondContact O-OG 3.46Å |
| 71 | F | 29.8 | Very low | 29.5 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 50% | 0.496 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -94.3 | -20.4 | -178.8 | -142.9 | -101.4 | 0 | 0 | 0 | 113.6 | F67 A73 F75 | F67-F71 AromaticContact CD1-CD2 3.99Å; F67-F71 HydrophobicContact CD1-CD2 3.99Å; F67-F71 HydrophobicContact CD1-CE2 4.38Å; F67-F71 HydrophobicContact CE1-CD2 4.2Å; F67-F71 HydrophobicContact CE1-CE2 4.24Å; F67-F71 WeakPolarHBondContact O-CB 3.43Å; F67-F71 PolarHBondContact O-N 3.32Å; F71-A73 VanDerWaalsContact C-N 3.34Å; F71-A73 PolarHBondContact O-N 2.81Å; F71-F75 HydrophobicContact CD1-CD2 4.08Å; F71-F75 AromaticContact CD1-CE2 3.88Å; F71-F75 HydrophobicContact CD1-CE2 3.88Å; F71-F75 AromaticContact CE1-CD2 3.92Å; F71-F75 HydrophobicContact CE1-CD2 3.92Å; F71-F75 AromaticContact CE1-CE2 3.28Å; F71-F75 HydrophobicContact CE1-CE2 3.28Å; F71-F75 HydrophobicContact CE1-CZ 4.1Å; F71-F75 AromaticContact CZ-CE2 3.68Å; F71-F75 HydrophobicContact CZ-CE2 3.68Å; F71-F75 HydrophobicContact CZ-CZ 4.34Å |
| 72 | A | 29.5 | Very low | 29.7 | Very low | 84 Ų | 84 | 117 Ų | 117 | 69% | 0.694 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -14.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 73 | A | 27.6 | Very low | 29.5 | Very low | 81 Ų | 81 | 116.2 Ų | 116.2 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -9.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F71 | F71-A73 VanDerWaalsContact C-N 3.34Å; F71-A73 PolarHBondContact O-N 2.81Å |
| 74 | S | 27.8 | Very low | 29.6 | Very low | 90 Ų | 90 | 116.1 Ų | 116.1 | 63% | 0.629 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -106.5 | -1.4 | -171.7 | -60 | 0 | 0 | 0 | 0 | 114.8 | ||
| 75 | F | 31.7 | Very low | 29.5 | Very low | 153 Ų | 153 | 116.9 Ų | 116.9 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -113.4 | 7.2 | 177.6 | -80.6 | -86.9 | 0 | 0 | 0 | 114.1 | F71 M77 | F71-F75 HydrophobicContact CD1-CD2 4.08Å; F71-F75 AromaticContact CD1-CE2 3.88Å; F71-F75 HydrophobicContact CD1-CE2 3.88Å; F71-F75 AromaticContact CE1-CD2 3.92Å; F71-F75 HydrophobicContact CE1-CD2 3.92Å; F71-F75 AromaticContact CE1-CE2 3.28Å; F71-F75 HydrophobicContact CE1-CE2 3.28Å; F71-F75 HydrophobicContact CE1-CZ 4.1Å; F71-F75 AromaticContact CZ-CE2 3.68Å; F71-F75 HydrophobicContact CZ-CE2 3.68Å; F71-F75 HydrophobicContact CZ-CZ 4.34Å; F75-M77 VanDerWaalsContact C-N 3.33Å |
| 76 | A | 28.4 | Very low | 29.4 | Very low | 86 Ų | 86 | 115 Ų | 115 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -86 | 3.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 77 | M | 27 | Very low | 29.1 | Very low | 179 Ų | 179 | 111.6 Ų | 111.6 | 88% | 0.882 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -147.4 | 55.5 | -176.5 | -61.7 | -169.7 | -59.3 | 0 | 0 | 112.7 | F75 | F75-M77 VanDerWaalsContact C-N 3.33Š|
| 78 | A | 28.9 | Very low | 28.9 | Very low | 87 Ų | 87 | 109.2 Ų | 109.2 | 72% | 0.719 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -162.1 | 102.3 | 165 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 79 | A | 29.7 | Very low | 28.4 | Very low | 94 Ų | 94 | 106.7 Ų | 106.7 | 78% | 0.777 | 67% | 0.67 | S | S | * | * | trans | 52.9 | 111.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 80 | P | 27.9 | Very low | 28.4 | Very low | 107 Ų | 107 | 103.6 Ų | 103.6 | 70% | 0.695 | 66% | 0.656 | S | S | * | * | trans | -75.5 | 130.5 | 171.4 | 33.7 | -29 | 0 | 0 | 0 | 108.6 | ||||
| 81 | E | 32.2 | Very low | 28.1 | Very low | 155 Ų | 155 | 106.2 Ų | 106.2 | 72% | 0.724 | 66% | 0.664 | S | S | * | * | trans | 169.7 | 113.8 | 145 | -92.9 | 163.7 | -153.3 | 0 | 0 | 110.3 | ||||
| 82 | V | 30.2 | Very low | 28 | Very low | 129 Ų | 129 | 108.3 Ų | 108.3 | 78% | 0.782 | 68% | 0.681 | S | S | * | * | trans | 78.4 | 93 | 169 | -161.9 | 0 | 0 | 0 | 0 | 117.3 | T84 | V82-T84 WeakPolarHBondContact CG1-OG1 3.28Š| ||
| 83 | A | 25.5 | Very low | 27.9 | Very low | 91 Ų | 91 | 114.2 Ų | 114.2 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | trans | -96.1 | 98.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 84 | T | 30.9 | Very low | 27.9 | Very low | 83 Ų | 83 | 117.7 Ų | 117.7 | 51% | 0.509 | 69% | 0.687 | S | S | . | * | trans | -88 | 112.2 | 173.7 | -35.9 | 0 | 0 | 0 | 0 | 110 | V82 | V82-T84 WeakPolarHBondContact CG1-OG1 3.28Š| ||
| 85 | I | 26 | Very low | 27.9 | Very low | 116 Ų | 116 | 121 Ų | 121 | 60% | 0.595 | 70% | 0.697 | S | S | * | * | trans | -96.7 | 113.6 | 170.4 | -57.2 | 173.7 | 0 | 0 | 0 | 107.5 | I101 | I85-I101 HydrophobicContact CB-CD1 4.46Š| ||
| 86 | S | 28 | Very low | 27.7 | Very low | 79 Ų | 79 | 119.7 Ų | 119.7 | 55% | 0.552 | 70% | 0.696 | S | S | * | * | trans | -103.9 | 106.7 | 170.1 | -59.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 87 | A | 24.3 | Very low | 27.7 | Very low | 78 Ų | 78 | 116.9 Ų | 116.9 | 65% | 0.645 | 67% | 0.671 | S | S | * | * | trans | -90.8 | 116.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 88 | V | 28.2 | Very low | 27.9 | Very low | 72 Ų | 72 | 113.2 Ų | 113.2 | 44% | 0.436 | 66% | 0.655 | S | S | . | * | trans | -133 | 110.4 | 171.6 | -168.1 | 0 | 0 | 0 | 0 | 108.7 | F90 | V88-F90 HydrophobicContact CB-CD2 4.4Å; V88-F90 HydrophobicContact CB-CE2 3.85Å; V88-F90 HydrophobicContact CB-CZ 4.44Å; V88-F90 HydrophobicContact CG1-CD2 3.85Å; V88-F90 HydrophobicContact CG1-CE1 4.18Å; V88-F90 HydrophobicContact CG1-CE2 3.24Å; V88-F90 HydrophobicContact CG1-CZ 3.43Å; V88-F90 VanDerWaalsContact CG1-CZ 3.43Å | ||
| 89 | A | 22.7 | Very low | 27.9 | Very low | 86 Ų | 86 | 112.5 Ų | 112.5 | 71% | 0.711 | 64% | 0.639 | S | S | * | * | trans | -77.5 | 128.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 90 | F | 28.7 | Very low | 28 | Very low | 134 Ų | 134 | 113.7 Ų | 113.7 | 59% | 0.588 | 62% | 0.624 | S | S | * | * | trans | -116.7 | 92.4 | 172.1 | -77 | -74.8 | 0 | 0 | 0 | 109.9 | V88 L95 | V88-F90 HydrophobicContact CB-CD2 4.4Å; V88-F90 HydrophobicContact CB-CE2 3.85Å; V88-F90 HydrophobicContact CB-CZ 4.44Å; V88-F90 HydrophobicContact CG1-CD2 3.85Å; V88-F90 HydrophobicContact CG1-CE1 4.18Å; V88-F90 HydrophobicContact CG1-CE2 3.24Å; V88-F90 HydrophobicContact CG1-CZ 3.43Å; V88-F90 VanDerWaalsContact CG1-CZ 3.43Å; F90-L95 HydrophobicContact CE1-CD2 4.24Å; F90-L95 HydrophobicContact CE1-CG 4.11Å; F90-L95 HydrophobicContact CZ-CD2 4.45Å | ||
| 91 | D | 26.1 | Very low | 28.1 | Very low | 134 Ų | 134 | 111.6 Ų | 111.6 | 72% | 0.717 | 61% | 0.606 | S | S | * | * | trans | -74.5 | 138.2 | 145 | -170.5 | 3.5 | 0 | 0 | 0 | 107.6 | R93 | D91-R93 PolarHBondContact O-N 2.91Š| ||
| 92 | N | 27.8 | Very low | 28.2 | Very low | 156 Ų | 156 | 107.2 Ų | 107.2 | 83% | 0.834 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 18 | -159.7 | -93.1 | -31.6 | 0 | 0 | 0 | 115.5 | ||
| 93 | R | 25.8 | Very low | 28.3 | Very low | 209 Ų | 209 | 106.1 Ų | 106.1 | 79% | 0.789 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.9 | -10.5 | -168.9 | -64.4 | -170.1 | -174.5 | -176.3 | 2.9 | 117.4 | D91 | D91-R93 PolarHBondContact O-N 2.91Š|
| 94 | H | 28 | Very low | 28.8 | Very low | 153 Ų | 153 | 105.3 Ų | 105.3 | 71% | 0.708 | 57% | 0.569 | S | S | * | * | trans | -144.2 | 119.6 | 179 | -59.3 | -69.8 | 0 | 0 | 0 | 111.7 | L96 | H94-L96 PolarHBondContact O-N 3.33Š| ||
| 95 | L | 27.4 | Very low | 29.1 | Very low | 160 Ų | 160 | 108.2 Ų | 108.2 | 84% | 0.838 | 58% | 0.577 | S | S | * | * | trans | -78.2 | 98.1 | 174.5 | -119.6 | 146.6 | 0 | 0 | 0 | 108 | F90 | F90-L95 HydrophobicContact CE1-CD2 4.24Å; F90-L95 HydrophobicContact CE1-CG 4.11Å; F90-L95 HydrophobicContact CZ-CD2 4.45Å | ||
| 96 | L | 27.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 107.5 Ų | 107.5 | 66% | 0.66 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 138.7 | 171.6 | -77.6 | 161.9 | 0 | 0 | 0 | 109.9 | H94 | H94-L96 PolarHBondContact O-N 3.33Š|
| 97 | S | 28.8 | Very low | 30.2 | Very low | 26 Ų | 26 | 109.6 Ų | 109.6 | 18% | 0.182 | 58% | 0.583 | C | S | . | * | P | Polyproline II helix | trans | -55.2 | 154.7 | -171.7 | 45.8 | 0 | 0 | 0 | 0 | 115.7 | I99 N114 R115 | S97-I99 PolarHBondContact O-N 3.09Å; S97-N114 PolarHBondContact OG-OD1 3.13Å; S97-R115 WeakPolarHBondContact CB-O 3.35Å |
| 98 | D | 31.4 | Very low | 30.8 | Very low | 102 Ų | 102 | 115.1 Ų | 115.1 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -61.1 | 118.6 | 171.8 | -70.7 | -39.5 | 0 | 0 | 0 | 110.7 | Y100 R115 | D98-Y100 HydrophobicContact CB-CD2 4.31Å; D98-Y100 HydrophobicContact CB-CE2 3.56Å; D98-R115 PolarHBondContact O-N 2.91Å |
| 99 | I | 29.7 | Very low | 31.1 | Very low | 73 Ų | 73 | 114 Ų | 114 | 37% | 0.374 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85 | 125 | 169.6 | -60.5 | 169 | 0 | 0 | 0 | 107.9 | S97 V112 N114 | S97-I99 PolarHBondContact O-N 3.09Å; I99-V112 HydrophobicContact CG2-CG1 3.56Å; I99-N114 WeakPolarHBondContact CG1-OD1 3.45Å |
| 100 | Y | 30.9 | Very low | 31.5 | Very low | 118 Ų | 118 | 112.6 Ų | 112.6 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.8 | 172 | -65 | -87.4 | 0 | 0 | 0 | 110 | D98 V112 G113 R115 | D98-Y100 HydrophobicContact CB-CD2 4.31Å; D98-Y100 HydrophobicContact CB-CE2 3.56Å; Y100-V112 WeakPolarHBondContact O-CA 3.28Å; Y100-G113 PolarHBondContact N-O 3.35Å; Y100-G113 PolarHBondContact O-N 3.4Å; Y100-R115 HydrophobicContact CD2-CB 4.43Å; Y100-R115 HydrophobicContact CE2-CB 4.25Å |
| 101 | I | 30.9 | Very low | 32 | Very low | 64 Ų | 64 | 109.2 Ų | 109.2 | 33% | 0.328 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104 | 115.4 | 169.8 | -55.7 | 175.1 | 0 | 0 | 0 | 105.8 | I85 V103 V112 | I85-I101 HydrophobicContact CB-CD1 4.46Å; I101-V103 HydrophobicContact CG2-CG2 4.44Å; I101-V112 HydrophobicContact CG1-CG2 4.37Å |
| 102 | S | 33.6 | Very low | 32.3 | Very low | 63 Ų | 63 | 106.9 Ų | 106.9 | 44% | 0.441 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.1 | 170.5 | 99.1 | 0 | 0 | 0 | 0 | 108.7 | S111 | S102-S111 PolarHBondContact N-O 3.17Å; S102-S111 PolarHBondContact O-N 3.33Å; S102-S111 PolarHBondContact OG-OG 2.78Å |
| 103 | V | 32.6 | Very low | 32.6 | Very low | 106 Ų | 106 | 101.2 Ų | 101.2 | 64% | 0.642 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 106.9 | 173.2 | -177.6 | 0 | 0 | 0 | 0 | 105.2 | I101 | I101-V103 HydrophobicContact CG2-CG2 4.44Å |
| 104 | D | 35.3 | Very low | 32.9 | Very low | 74 Ų | 74 | 96.2 Ų | 96.2 | 40% | 0.396 | 53% | 0.526 | S | S | . | . | trans | -76.1 | 133.4 | 166.9 | -158.5 | -35 | 0 | 0 | 0 | 107.3 | S106 | D104-S106 VanDerWaalsContact CG-OG 3.27Å; D104-S106 WeakPolarHBondContact OD1-CB 3.38Å; D104-S106 PolarHBondContact OD1-N 3.43Å; D104-S106 PolarHBondContact OD1-OG 2.94Å; D104-S106 PolarHBondContact OD2-OG 3.37Å | ||
| 105 | Q | 36.5 | Very low | 33.2 | Very low | 144 Ų | 144 | 97.9 Ų | 97.9 | 67% | 0.673 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -89.4 | -12.5 | 175.8 | -71.2 | -171.7 | 13.6 | 0 | 0 | 111.9 | ||
| 106 | S | 43.3 | Very low | 33.4 | Very low | 100 Ų | 100 | 97.1 Ų | 97.1 | 70% | 0.699 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -85.3 | -18.4 | 179.5 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | D104 | D104-S106 VanDerWaalsContact CG-OG 3.27Å; D104-S106 WeakPolarHBondContact OD1-CB 3.38Å; D104-S106 PolarHBondContact OD1-N 3.43Å; D104-S106 PolarHBondContact OD1-OG 2.94Å; D104-S106 PolarHBondContact OD2-OG 3.37Å |
| 107 | E | 34.3 | Very low | 33.7 | Very low | 124 Ų | 124 | 96 Ų | 96 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -129.4 | 137.3 | 173.8 | -63.9 | -177.5 | 170 | 0 | 0 | 106.4 | S109 | E107-S109 WeakPolarHBondContact CB-OG 3.01Å; E107-S109 PolarHBondContact O-N 2.98Å; E107-S109 PolarHBondContact OE2-OG 3.11Å |
| 108 | Q | 37.4 | Very low | 34 | Very low | 194 Ų | 194 | 103.7 Ų | 103.7 | 91% | 0.907 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -69.7 | 46.3 | 172 | -67.7 | 177.7 | -11.1 | 0 | 0 | 111.2 | ||
| 109 | S | 34.5 | Very low | 34.2 | Very low | 47 Ų | 47 | 107.9 Ų | 107.9 | 33% | 0.329 | 57% | 0.574 | S | S | . | * | trans | -115.2 | 130.7 | -173.6 | 70.1 | 0 | 0 | 0 | 0 | 109.7 | E107 | E107-S109 WeakPolarHBondContact CB-OG 3.01Å; E107-S109 PolarHBondContact O-N 2.98Å; E107-S109 PolarHBondContact OE2-OG 3.11Å | ||
| 110 | C | 30.8 | Very low | 34.3 | Very low | 58 Ų | 58 | 115.7 Ų | 115.7 | 39% | 0.392 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.6 | 173.8 | -159.7 | 0 | 0 | 0 | 0 | 106.4 | ||
| 111 | S | 39.5 | Very low | 34.5 | Very low | 63 Ų | 63 | 116 Ų | 116 | 44% | 0.441 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.6 | 129.6 | 178.2 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | S102 | S102-S111 PolarHBondContact N-O 3.17Å; S102-S111 PolarHBondContact O-N 3.33Å; S102-S111 PolarHBondContact OG-OG 2.78Å |
| 112 | V | 32 | Very low | 34.5 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 51% | 0.509 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 111.9 | 174.5 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | I99 Y100 I101 | I99-V112 HydrophobicContact CG2-CG1 3.56Å; Y100-V112 WeakPolarHBondContact O-CA 3.28Å; I101-V112 HydrophobicContact CG1-CG2 4.37Å |
| 113 | G | 34 | Very low | 34.3 | Very low | 38 Ų | 38 | 120.4 Ų | 120.4 | 39% | 0.392 | 66% | 0.658 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110 | 136.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y100 | Y100-G113 PolarHBondContact N-O 3.35Å; Y100-G113 PolarHBondContact O-N 3.4Å |
| 114 | N | 32.7 | Very low | 34 | Very low | 103 Ų | 103 | 118.8 Ų | 118.8 | 55% | 0.551 | 66% | 0.662 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.4 | 172.9 | -128 | -14.2 | 0 | 0 | 0 | 108.7 | S97 I99 | S97-N114 PolarHBondContact OG-OD1 3.13Å; I99-N114 WeakPolarHBondContact CG1-OD1 3.45Å |
| 115 | R | 34.3 | Very low | 33.9 | Very low | 189 Ų | 189 | 123.2 Ų | 123.2 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97 | 92.3 | 176.1 | -167.4 | 178.5 | -176.4 | -171.5 | 1.6 | 109.5 | S97 D98 Y100 S117 | S97-R115 WeakPolarHBondContact CB-O 3.35Å; D98-R115 PolarHBondContact O-N 2.91Å; Y100-R115 HydrophobicContact CD2-CB 4.43Å; Y100-R115 HydrophobicContact CE2-CB 4.25Å; R115-S117 PolarHBondContact O-N 3.02Å |
| 116 | L | 31.7 | Very low | 33.6 | Very low | 143 Ų | 143 | 123 Ų | 123 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | trans | -67.2 | 111.6 | 164.4 | -79 | 159.3 | 0 | 0 | 0 | 108.2 | E118 | L116-E118 PolarHBondContact O-N 3.04Š| ||
| 117 | S | 33.9 | Very low | 33 | Very low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | trans | -70.4 | 114.6 | 166.3 | 62.4 | 0 | 0 | 0 | 0 | 108.1 | R115 E119 | R115-S117 PolarHBondContact O-N 3.02Å; S117-E119 PolarHBondContact O-N 2.72Å | ||
| 118 | E | 34.4 | Very low | 33 | Very low | 188 Ų | 188 | 121 Ų | 121 | 88% | 0.879 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -51 | 121.8 | 168.6 | -72 | 177.2 | 146.7 | 0 | 0 | 110.2 | L116 R120 | L116-E118 PolarHBondContact O-N 3.04Å; E118-R120 PolarHBondContact O-N 3.28Å |
| 119 | E | 36.3 | Very low | 32.8 | Very low | 190 Ų | 190 | 118.3 Ų | 118.3 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 122.7 | 168.8 | -72.8 | -179 | 140.5 | 0 | 0 | 109.9 | S117 | S117-E119 PolarHBondContact O-N 2.72Š|
| 120 | R | 31.1 | Very low | 32.6 | Very low | 237 Ų | 237 | 119.4 Ų | 119.4 | 89% | 0.894 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 118.5 | 161.2 | -87.3 | -175.3 | 169.3 | -169.7 | -3.3 | 108.6 | E118 V122 | E118-R120 PolarHBondContact O-N 3.28Å; R120-V122 PolarHBondContact O-N 2.77Å |
| 121 | P | 35 | Very low | 32.7 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 125.1 | 175.3 | 26 | -30.7 | 0 | 0 | 0 | 110.6 | ||
| 122 | V | 32 | Very low | 32.4 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 130.3 | 166.8 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | R120 | R120-V122 PolarHBondContact O-N 2.77Š|
| 123 | G | 28.6 | Very low | 32.3 | Very low | 77 Ų | 77 | 129.5 Ų | 129.5 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 146.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 124 | G | 27.6 | Very low | 32.1 | Very low | 71 Ų | 71 | 135.8 Ų | 135.8 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 158.6 | 117.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 125 | L | 31.3 | Very low | 31.9 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | 81.8 | 95.6 | 154.4 | -60.5 | 157.6 | 0 | 0 | 0 | 118.7 | ||||
| 126 | T | 31.6 | Very low | 31.5 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | 7.5 | 122.5 | 131.4 | 50.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 127 | G | 31.1 | Very low | 31.2 | Very low | 79 Ų | 79 | 139.6 Ų | 139.6 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 167.3 | 122.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 128 | S | 33.2 | Very low | 30.8 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -61.6 | 148.6 | -172.3 | 47.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 129 | T | 34 | Very low | 30.6 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | 61.9 | 120.1 | 144.1 | 53.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 130 | G | 29.9 | Very low | 30.3 | Very low | 69 Ų | 69 | 136.3 Ų | 136.3 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | 109.6 | 109.3 | 124.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 131 | N | 32.4 | Very low | 30.2 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | 82.3 | 117.3 | 143.4 | -69.8 | -12.5 | 0 | 0 | 0 | 121.5 | ||||
| 132 | Q | 33.4 | Very low | 30.2 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | 39 | 133.8 | 121.6 | -52.5 | -176.5 | 17.2 | 0 | 0 | 116.3 | |||||
| 133 | S | 30.1 | Very low | 30.1 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | cis | 160.3 | 125.2 | 12.7 | 46.5 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 134 | E | 29.2 | Very low | 30.2 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | -143.3 | 106.1 | 156 | -81.4 | -167 | 157.4 | 0 | 0 | 108 | F136 | E134-F136 HydrophobicContact CB-CE2 4.41Š| ||
| 135 | R | 28.8 | Very low | 30.3 | Very low | 251 Ų | 251 | 132.7 Ų | 132.7 | 95% | 0.947 | 76% | 0.761 | S | S | * | * | trans | -91.7 | 112.8 | 172.5 | -77.8 | -178.6 | 172.9 | -174.7 | -2 | 108.1 | ||||
| 136 | F | 26.5 | Very low | 30.4 | Very low | 177 Ų | 177 | 127.1 Ų | 127.1 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -85.5 | 111.1 | 166.1 | -76.7 | -89.5 | 0 | 0 | 0 | 109.4 | E134 | E134-F136 HydrophobicContact CB-CE2 4.41Š| ||
| 137 | A | 24.4 | Very low | 30.5 | Very low | 86 Ų | 86 | 126.7 Ų | 126.7 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | -83.4 | 115.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 138 | V | 27 | Very low | 30.5 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | trans | -103.1 | 111.3 | 169.5 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | S140 | V138-S140 PolarHBondContact O-N 3.4Š| ||
| 139 | H | 29.1 | Very low | 30.5 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -70 | 123.4 | 172.9 | -69.4 | -79 | 0 | 0 | 0 | 109.5 | ||
| 140 | S | 30 | Very low | 30.3 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 134.8 | 168.8 | 44.9 | 0 | 0 | 0 | 0 | 110 | V138 | V138-S140 PolarHBondContact O-N 3.4Š|
| 141 | P | 30.2 | Very low | 30.5 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 69% | 0.688 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 147.3 | 178.1 | 23.7 | -32 | 0 | 0 | 0 | 111.6 | V143 | P141-V143 PolarHBondContact O-N 2.74Š|
| 142 | P | 33.5 | Very low | 30.4 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 132.7 | 179.4 | 26.5 | -32.4 | 0 | 0 | 0 | 110.9 | ||
| 143 | V | 29.7 | Very low | 30.3 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 119.1 | -178.6 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | P141 | P141-V143 PolarHBondContact O-N 2.74Š|
| 144 | S | 32 | Very low | 30.2 | Very low | 63 Ų | 63 | 124 Ų | 124 | 44% | 0.441 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -78.5 | 142.6 | 169 | 19.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 145 | Y | 29.4 | Very low | 30.2 | Very low | 174 Ų | 174 | 119.3 Ų | 119.3 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 134.7 | -176.1 | -172.8 | -93.7 | 0 | 0 | 0 | 113.2 | H147 | Y145-H147 HydrophobicContact CD1-CB 4.43Å; Y145-H147 HydrophobicContact CE1-CB 4.21Å; Y145-H147 AromaticContact CE1-CD2 3.9Å |
| 146 | C | 33.2 | Very low | 30.1 | Very low | 50 Ų | 50 | 114.6 Ų | 114.6 | 34% | 0.338 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -96.1 | 124.8 | 172.5 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | C151 | C146-C151 HydrophobicContact CB-CB 4.25Å; C146-C151 WeakPolarHBondContact CB-SG 3.35Å; C146-C151 WeakPolarHBondContact SG-CB 3.41Å; C146-C151 CovalentContact SG-SG 2.05Å; C146-C151 PolarHBondContact SG-SG 3.04Å |
| 147 | H | 33.1 | Very low | 30.2 | Very low | 130 Ų | 130 | 113.2 Ų | 113.2 | 60% | 0.602 | 69% | 0.687 | S | S | * | * | B | Isolated β-bridge | trans | -111.5 | 131.6 | 171.5 | -155.9 | -65 | 0 | 0 | 0 | 109.3 | Y145 G149 C150 | Y145-H147 HydrophobicContact CD1-CB 4.43Å; Y145-H147 HydrophobicContact CE1-CB 4.21Å; Y145-H147 AromaticContact CE1-CD2 3.9Å; H147-G149 PolarHBondContact O-N 3.25Å; H147-C150 PolarHBondContact O-N 3.49Å |
| 148 | S | 32.5 | Very low | 30.2 | Very low | 111 Ų | 111 | 114.6 Ų | 114.6 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.5 | 43.7 | 166.4 | 36.4 | 0 | 0 | 0 | 0 | 116.1 | C150 | S148-C150 VanDerWaalsContact C-N 3.34Å; S148-C150 PolarHBondContact O-N 3.25Å |
| 149 | G | 32.9 | Very low | 30.1 | Very low | 83 Ų | 83 | 113.6 Ų | 113.6 | 86% | 0.856 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.1 | 8.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | H147 | H147-G149 PolarHBondContact O-N 3.25Š|
| 150 | C | 28.5 | Very low | 30.1 | Very low | 100 Ų | 100 | 110.6 Ų | 110.6 | 68% | 0.676 | 68% | 0.681 | S | S | * | * | B | Isolated β-bridge | trans | -118 | 129.4 | 169.2 | -75.4 | 0 | 0 | 0 | 0 | 109.9 | H147 S148 | H147-C150 PolarHBondContact O-N 3.49Å; S148-C150 VanDerWaalsContact C-N 3.34Å; S148-C150 PolarHBondContact O-N 3.25Å |
| 151 | C | 34.9 | Very low | 30 | Very low | 87 Ų | 87 | 110.6 Ų | 110.6 | 59% | 0.588 | 68% | 0.678 | S | S | * | * | trans | -114.5 | 121 | 168.8 | -62.2 | 0 | 0 | 0 | 0 | 107.6 | C146 | C146-C151 HydrophobicContact CB-CB 4.25Å; C146-C151 WeakPolarHBondContact CB-SG 3.35Å; C146-C151 WeakPolarHBondContact SG-CB 3.41Å; C146-C151 CovalentContact SG-SG 2.05Å; C146-C151 PolarHBondContact SG-SG 3.04Å | ||
| 152 | S | 31.1 | Very low | 30 | Very low | 81 Ų | 81 | 114.1 Ų | 114.1 | 57% | 0.566 | 68% | 0.683 | S | S | * | * | trans | -88.9 | 131 | 167.6 | 69.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 153 | I | 29.8 | Very low | 29.7 | Very low | 146 Ų | 146 | 116 Ų | 116 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | trans | -105.3 | 104.5 | 165.4 | -60.2 | 173.8 | 0 | 0 | 0 | 105 | A155 | I153-A155 HydrophobicContact CG2-CB 4.47Å; I153-A155 PolarHBondContact O-N 3.33Å | ||
| 154 | D | 29.1 | Very low | 29.7 | Very low | 142 Ų | 142 | 122.3 Ų | 122.3 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | trans | -71.1 | 104.6 | 166 | -83.2 | -36.9 | 0 | 0 | 0 | 107.5 | ||||
| 155 | A | 29.4 | Very low | 30 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 60% | 0.595 | 71% | 0.71 | S | S | * | * | trans | -112.7 | 75 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | I153 I157 | I153-A155 HydrophobicContact CG2-CB 4.47Å; I153-A155 PolarHBondContact O-N 3.33Å; A155-I157 VanDerWaalsContact C-N 3.28Å; A155-I157 PolarHBondContact O-N 3.23Å | ||
| 156 | D | 26.5 | Very low | 30 | Very low | 152 Ų | 152 | 122.8 Ų | 122.8 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | -64.9 | 90.5 | 159.1 | -90.4 | -25.9 | 0 | 0 | 0 | 108.4 | V158 | D156-V158 VanDerWaalsContact C-N 3.32Å; D156-V158 PolarHBondContact O-N 3.35Å | ||
| 157 | I | 27.4 | Very low | 30.1 | Very low | 149 Ų | 149 | 124 Ų | 124 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | -85.1 | 84.4 | 167.8 | -56.6 | 177.8 | 0 | 0 | 0 | 107.2 | A155 P159 | A155-I157 VanDerWaalsContact C-N 3.28Å; A155-I157 PolarHBondContact O-N 3.23Å; I157-P159 WeakPolarHBondContact O-CD 3.31Å | ||
| 158 | V | 24.9 | Very low | 30.1 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | -65.5 | 121.1 | 164.4 | 178.2 | 0 | 0 | 0 | 0 | 108.1 | D156 S160 | D156-V158 VanDerWaalsContact C-N 3.32Å; D156-V158 PolarHBondContact O-N 3.35Å; V158-S160 PolarHBondContact O-N 3.38Å | ||
| 159 | P | 25.8 | Very low | 30.4 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -82.6 | 117 | 168.6 | 31.9 | -25.7 | 0 | 0 | 0 | 107.5 | I157 | I157-P159 WeakPolarHBondContact O-CD 3.31Š| ||
| 160 | S | 28 | Very low | 30.6 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -144.6 | 113.1 | 160.4 | -131.3 | 0 | 0 | 0 | 0 | 112.3 | V158 | V158-S160 PolarHBondContact O-N 3.38Š| ||
| 161 | P | 28.8 | Very low | 30.8 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | -83.1 | 127.6 | 164.7 | 32.8 | -25.3 | 0 | 0 | 0 | 108 | ||||
| 162 | K | 28.8 | Very low | 30.9 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | trans | 166.6 | 127.6 | 135.3 | -91.5 | 161.8 | -175.2 | -174.8 | 0 | 112.7 | ||||
| 163 | Q | 28.9 | Very low | 31.2 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 63.3 | 116.2 | 132.9 | -68.2 | 172.9 | -41.7 | 0 | 0 | 120.5 | ||||
| 164 | R | 28.5 | Very low | 31.6 | Very low | 236 Ų | 236 | 135.8 Ų | 135.8 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | 32.3 | 124.9 | 134.7 | -58.5 | -176.8 | 172.9 | -162.8 | -2.5 | 116.4 | ||||
| 165 | S | 37.9 | Very low | 31.9 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | 176.2 | 162.6 | 68.5 | -51.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 166 | P | 30.4 | Very low | 32.2 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -98.1 | 148.1 | -164.2 | 36.9 | -30 | 0 | 0 | 0 | 114.3 | ||||
| 167 | G | 34.1 | Very low | 32.4 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 170.5 | 121.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 168 | A | 32.9 | Very low | 32.6 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | 89 | 92.3 | 147.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 169 | R | 39.8 | Very low | 33.1 | Very low | 242 Ų | 242 | 135.9 Ų | 135.9 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | 41.6 | 129.8 | 128.5 | -70.9 | -176.7 | 173.6 | -166.9 | -2.3 | 122.3 | |||||
| 170 | P | 37.9 | Very low | 33.3 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -102.4 | 164.3 | 171.8 | 39.8 | -31.1 | 0 | 0 | 0 | 113.3 | ||||
| 171 | L | 32.9 | Very low | 33.6 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -167.8 | 130.7 | 163 | -106.3 | 139 | 0 | 0 | 0 | 113.4 | ||||
| 172 | S | 36.2 | Very low | 33.7 | Very low | 86 Ų | 86 | 143.3 Ų | 143.3 | 60% | 0.601 | 79% | 0.789 | S | S | * | * | trans | 57.6 | 152.3 | 139.5 | 59 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 173 | D | 37.9 | Very low | 33.8 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | cis | -168.9 | 154.4 | -3.5 | -101.3 | -22.5 | 0 | 0 | 0 | 107.5 | ||||
| 174 | D | 37.2 | Very low | 33.7 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | 49.1 | 142.9 | 140.6 | -77.8 | -20.8 | 0 | 0 | 0 | 126.3 | ||||
| 175 | N | 35.6 | Very low | 33.6 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 83.7 | 116.4 | 143.2 | -73.1 | -30.4 | 0 | 0 | 0 | 120.7 | ||||
| 176 | S | 35.6 | Very low | 33.1 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | 157.7 | 126 | 93.7 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 177 | T | 31 | Very low | 33.1 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | 29.7 | 128 | 136.9 | 51.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 178 | A | 32.3 | Very low | 33 | Very low | 84 Ų | 84 | 136 Ų | 136 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | -178.5 | 116.6 | 126.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 179 | Q | 34.4 | Very low | 32.8 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | 68.8 | 141.3 | 101.6 | -70.9 | -172.7 | -5.8 | 0 | 0 | 114.3 | |||||
| 180 | R | 29.6 | Very low | 32.3 | Very low | 211 Ų | 211 | 134 Ų | 134 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | cis | -177 | 167.1 | 0.9 | -120.9 | 174.9 | 169.7 | 174.8 | -4.4 | 107.3 | ||||
| 181 | S | 35.7 | Very low | 32 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | 91.2 | 106 | 163.4 | -48.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 182 | L | 30.2 | Very low | 31.7 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | cis | 73.7 | 103.1 | 27 | -125.8 | 171.1 | 0 | 0 | 0 | 114.8 | ||||
| 183 | L | 30.6 | Very low | 31.3 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | 167.1 | 100.3 | 141.7 | -90.4 | 151.7 | 0 | 0 | 0 | 107.8 | ||||
| 184 | S | 27.5 | Very low | 30.6 | Very low | 91 Ų | 91 | 144.7 Ų | 144.7 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | 71.1 | 136.9 | 91 | 78.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 185 | L | 25.6 | Very low | 30.3 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | cis | 175.4 | 170.3 | -4.5 | -125.1 | 147 | 0 | 0 | 0 | 103.4 | ||||
| 186 | V | 28.3 | Very low | 30 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | 94.9 | 137.9 | 160.9 | -166.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 187 | P | 29.6 | Very low | 29.3 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | -130.1 | -177.2 | -98.8 | 27 | 1 | 0 | 0 | 0 | 114.1 | |||||
| 188 | S | 32.1 | Very low | 29 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -59.8 | 144.6 | 178.8 | -163.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 189 | P | 29.5 | Very low | 28.4 | Very low | 111 Ų | 111 | 151.1 Ų | 151.1 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | -133.4 | 146.6 | 126.5 | 35.2 | -23.6 | 0 | 0 | 0 | 113.3 | Q191 | P189-Q191 PolarHBondContact O-N 2.13Š| |||
| 190 | Q | 28 | Very low | 27.9 | Very low | 191 Ų | 191 | 147.9 Ų | 147.9 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -43.4 | 127.6 | 166.8 | -63.6 | 161.2 | -32 | 0 | 0 | 112.3 | ||||
| 191 | Q | 31.4 | Very low | 27.5 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -138.6 | 112.6 | 157.3 | -81.5 | -171.4 | -25 | 0 | 0 | 110.2 | P189 F193 | P189-Q191 PolarHBondContact O-N 2.13Å; Q191-F193 PolarHBondContact O-N 3.06Å | ||
| 192 | Q | 27.2 | Very low | 26.8 | Very low | 197 Ų | 197 | 155 Ų | 155 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -54.7 | 123.4 | 162.5 | -80.3 | 167.9 | -45.9 | 0 | 0 | 109.4 | ||||
| 193 | F | 27.9 | Very low | 26.5 | Very low | 184 Ų | 184 | 155.6 Ų | 155.6 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | trans | -102.4 | 103.5 | 163.1 | -105.9 | -92.8 | 0 | 0 | 0 | 108.4 | Q191 | Q191-F193 PolarHBondContact O-N 3.06Š| ||
| 194 | E | 24.3 | Very low | 26 | Very low | 183 Ų | 183 | 152.2 Ų | 152.2 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -71 | 138 | 152.8 | -68.9 | -173.5 | 155.3 | 0 | 0 | 108.6 | ||||
| 195 | P | 30.6 | Very low | 25.9 | Very low | 114 Ų | 114 | 158.3 Ų | 158.3 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | trans | -111 | 150.6 | 152.7 | 28.9 | -17.2 | 0 | 0 | 0 | 111.5 | ||||
| 196 | P | 28 | Very low | 25.8 | Very low | 112 Ų | 112 | 160 Ų | 160 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -85.7 | 151.2 | -144 | 33.4 | -36.4 | 0 | 0 | 0 | 114.7 | I198 | P196-I198 PolarHBondContact O-N 3.45Š| ||
| 197 | Y | 21.3 | Very low | 25.6 | Very low | 230 Ų | 230 | 156.9 Ų | 156.9 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -63.5 | 120.4 | 161.5 | -78.4 | -93.4 | 0 | 0 | 0 | 110.4 | ||||
| 198 | I | 24.4 | Very low | 25.3 | Very low | 155 Ų | 155 | 159.7 Ų | 159.7 | 80% | 0.795 | 82% | 0.822 | S | S | * | * | trans | -112.6 | 107.2 | 158.3 | -63.4 | 178.5 | 0 | 0 | 0 | 108.3 | P196 | P196-I198 PolarHBondContact O-N 3.45Š| ||
| 199 | V | 21.2 | Very low | 24.9 | Very low | 123 Ų | 123 | 162.9 Ų | 162.9 | 75% | 0.745 | 82% | 0.824 | S | S | * | * | trans | -74.6 | 117.2 | 169.2 | 175.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 200 | A | 22.6 | Very low | 24.6 | Very low | 97 Ų | 97 | 162.8 Ų | 162.8 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | -120.2 | 117.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 201 | R | 22.3 | Very low | 24.6 | Very low | 231 Ų | 231 | 164.5 Ų | 164.5 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -63.8 | 154.7 | -166.4 | -76 | 167.1 | 162.3 | 174.2 | -6.2 | 114.8 | ||||
| 202 | R | 21 | Very low | 24.7 | Very low | 242 Ų | 242 | 161.6 Ų | 161.6 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | trans | -23.2 | 131.5 | 148.7 | -76.5 | 174.6 | 169.2 | -177.9 | -3.6 | 112.9 | ||||
| 203 | L | 22.3 | Very low | 24.6 | Very low | 173 Ų | 173 | 157.5 Ų | 157.5 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -157 | 127.5 | 144.3 | -105.8 | 156.9 | 0 | 0 | 0 | 110.6 | ||||
| 204 | A | 21.5 | Very low | 24.6 | Very low | 82 Ų | 82 | 153.9 Ų | 153.9 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | 68.7 | 80.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 205 | F | 24 | Very low | 24.8 | Very low | 219 Ų | 219 | 149.8 Ų | 149.8 | 96% | 0.961 | 79% | 0.793 | S | S | * | * | -69.9 | 107.9 | 128.8 | -88.5 | -97.3 | 0 | 0 | 0 | 107.1 | |||||
| 206 | E | 23.6 | Very low | 24.6 | Very low | 191 Ų | 191 | 154.2 Ų | 154.2 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -167.3 | 132 | 163.6 | -111.9 | 168 | -157.7 | 0 | 0 | 108.3 | ||||
| 207 | G | 24.4 | Very low | 24.6 | Very low | 63 Ų | 63 | 153.1 Ų | 153.1 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | 101 | 55.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | H209 | G207-H209 PolarHBondContact O-N 3.45Å; G207-H209 VanDerWaalsContact O-N 3.12Å | ||
| 208 | L | 23.2 | Very low | 24.9 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -57.6 | 103.8 | 143 | -95.1 | 151.4 | 0 | 0 | 0 | 108.2 | ||||
| 209 | H | 25 | Very low | 25.1 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -114.8 | 114.7 | 160.2 | -86.6 | -75.3 | 0 | 0 | 0 | 110.2 | G207 | G207-H209 PolarHBondContact O-N 3.45Å; G207-H209 VanDerWaalsContact O-N 3.12Å | ||
| 210 | C | 23.4 | Very low | 25.5 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -64.6 | 149.6 | 170.4 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 211 | R | 26.6 | Very low | 25.7 | Very low | 228 Ų | 228 | 147 Ų | 147 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | 94.7 | 152.6 | 159 | -61.5 | -174.9 | 167.3 | -173.8 | -1.6 | 117.7 | ||||
| 212 | P | 33.2 | Very low | 25.9 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | -129.8 | -171.8 | -50.7 | 33.2 | -14.8 | 0 | 0 | 0 | 109.6 | |||||
| 213 | C | 25 | Very low | 26 | Very low | 111 Ų | 111 | 136 Ų | 136 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | trans | 85.3 | 63.8 | 166.7 | -47.5 | 0 | 0 | 0 | 0 | 116.3 | P215 | C213-P215 VanDerWaalsContact O-CD 3.31Å; C213-P215 WeakPolarHBondContact O-CD 3.36Å | ||
| 214 | V | 29 | Very low | 26.2 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 66% | 0.655 | 77% | 0.774 | S | S | * | * | trans | -74.5 | 116.1 | 144.2 | -175.8 | 0 | 0 | 0 | 0 | 106.8 | A218 | V214-A218 HydrophobicContact CG1-CB 3.38Š| ||
| 215 | P | 28.3 | Very low | 26.5 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 62% | 0.623 | 78% | 0.778 | S | S | * | * | trans | -60.1 | 145.2 | -177.9 | 21.9 | -31 | 0 | 0 | 0 | 110.8 | C213 A217 A218 | C213-P215 VanDerWaalsContact O-CD 3.31Å; C213-P215 WeakPolarHBondContact O-CD 3.36Å; P215-A217 PolarHBondContact O-N 2.98Å; P215-A218 PolarHBondContact O-N 3.28Å; P215-A218 VanDerWaalsContact O-N 3.11Å | ||
| 216 | K | 27.5 | Very low | 26.5 | Very low | 208 Ų | 208 | 129.2 Ų | 129.2 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.6 | -8.8 | 178.1 | -94.8 | 178.9 | 172.7 | 177.7 | 0 | 116.7 | ||
| 217 | A | 26.6 | Very low | 26.5 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -13.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P215 | P215-A217 PolarHBondContact O-N 2.98Š|
| 218 | A | 28 | Very low | 26.6 | Very low | 65 Ų | 65 | 134.6 Ų | 134.6 | 54% | 0.537 | 77% | 0.772 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.4 | 2.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V214 P215 | V214-A218 HydrophobicContact CG1-CB 3.38Å; P215-A218 PolarHBondContact O-N 3.28Å; P215-A218 VanDerWaalsContact O-N 3.11Å |
| 219 | F | 28.6 | Very low | 26.7 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 11.7 | -173.7 | -90.8 | -87.7 | 0 | 0 | 0 | 115.5 | ||
| 220 | N | 29.3 | Very low | 26.9 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -111.4 | 26.5 | -174.8 | -86.3 | -19 | 0 | 0 | 0 | 115.4 | ||
| 221 | A | 27 | Very low | 27.3 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -135.5 | 117.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 222 | G | 25.6 | Very low | 27.2 | Very low | 80 Ų | 80 | 127.5 Ų | 127.5 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -66.6 | 159 | -163 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 223 | L | 24.9 | Very low | 27.2 | Very low | 161 Ų | 161 | 125.4 Ų | 125.4 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | 79.4 | 80.8 | 164 | -125.8 | 90.7 | 0 | 0 | 0 | 117.5 | ||||
| 224 | V | 26.3 | Very low | 27.6 | Very low | 149 Ų | 149 | 126 Ų | 126 | 90% | 0.903 | 74% | 0.741 | S | S | * | * | trans | -110.2 | 108.9 | 150.3 | 177.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 225 | V | 26.5 | Very low | 27.9 | Very low | 124 Ų | 124 | 123 Ų | 123 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | -120.7 | 113.5 | 168.3 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 226 | G | 23.8 | Very low | 28.3 | Very low | 59 Ų | 59 | 120.7 Ų | 120.7 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 114.5 | 78.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 227 | R | 24.4 | Very low | 29.2 | Very low | 236 Ų | 236 | 115.7 Ų | 115.7 | 89% | 0.891 | 71% | 0.705 | S | S | * | * | S | Bend | 149.5 | 82.9 | 123.3 | -81.5 | -173.5 | 178.7 | -172.8 | 0.6 | 111.4 | |||
| 228 | C | 25.8 | Very low | 29.9 | Very low | 131 Ų | 131 | 114.7 Ų | 114.7 | 89% | 0.885 | 70% | 0.696 | S | S | * | * | trans | -159.8 | 78.8 | 139.4 | -101.4 | 0 | 0 | 0 | 0 | 105.6 | N230 | C228-N230 PolarHBondContact O-N 2.95Š| ||
| 229 | F | 25.4 | Very low | 30.7 | Very low | 168 Ų | 168 | 115.7 Ų | 115.7 | 74% | 0.737 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 105.6 | 162.9 | -76.8 | -94.1 | 0 | 0 | 0 | 106.1 | ||
| 230 | N | 30.2 | Very low | 31.6 | Very low | 120 Ų | 120 | 111.3 Ų | 111.3 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -174.9 | -4.5 | 155.5 | -97.9 | -6.7 | 0 | 0 | 0 | 114.7 | C228 C282 | C228-N230 PolarHBondContact O-N 2.95Å; N230-C282 PolarHBondContact OD1-SG 3.47Å |
| 231 | D | 30.6 | Very low | 32.7 | Very low | 159 Ų | 159 | 106.5 Ų | 106.5 | 85% | 0.85 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -114.5 | 47.4 | 168.1 | -73.7 | -37 | 0 | 0 | 0 | 111.7 | A233 | D231-A233 PolarHBondContact O-N 3.43Š|
| 232 | C | 26.3 | Very low | 33.5 | Very low | 95 Ų | 95 | 106.2 Ų | 106.2 | 64% | 0.642 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 67.3 | -171.8 | -70.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 233 | A | 31.6 | Very low | 34.6 | Very low | 63 Ų | 63 | 103.6 Ų | 103.6 | 52% | 0.521 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -142.8 | -41.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D231 G235 | D231-A233 PolarHBondContact O-N 3.43Å; A233-G235 PolarHBondContact O-N 3.12Å |
| 234 | V | 33.6 | Very low | 36.2 | Very low | 122 Ų | 122 | 100.1 Ų | 100.1 | 74% | 0.739 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74.9 | -26.8 | -170.1 | -172.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 235 | G | 36.2 | Very low | 37.7 | Very low | 47 Ų | 47 | 103.6 Ų | 103.6 | 49% | 0.485 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -79.6 | -28.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A233 L239 | A233-G235 PolarHBondContact O-N 3.12Å; G235-L239 PolarHBondContact O-N 3.11Å |
| 236 | A | 35.1 | Very low | 38.7 | Very low | 46 Ų | 46 | 104.2 Ų | 104.2 | 38% | 0.38 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.8 | -43.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A238 L239 R240 V273 | A236-A238 VanDerWaalsContact C-N 3.34Å; A236-A238 PolarHBondContact O-N 2.72Å; A236-L239 PolarHBondContact O-N 3.2Å; A236-R240 WeakPolarHBondContact O-CB 3.48Å; A236-R240 PolarHBondContact O-N 3.3Å; A236-V273 HydrophobicContact CB-CG1 4.42Å |
| 237 | D | 46.7 | Very low | 40.1 | Very low | 103 Ų | 103 | 102.4 Ų | 102.4 | 55% | 0.551 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.1 | -36.3 | 177.1 | -71.8 | -28 | 0 | 0 | 0 | 112.8 | L239 R240 A241 | D237-L239 VanDerWaalsContact C-N 3.3Å; D237-L239 PolarHBondContact O-N 3.22Å; D237-R240 PolarHBondContact O-N 3.16Å; D237-A241 PolarHBondContact O-N 3.01Å |
| 238 | A | 42.5 | Very low | 42 | Very low | 68 Ų | 68 | 92.5 Ų | 92.5 | 56% | 0.562 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.5 | -28.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A236 P242 | A236-A238 VanDerWaalsContact C-N 3.34Å; A236-A238 PolarHBondContact O-N 2.72Å; A238-P242 WeakPolarHBondContact O-CD 3.18Å; A238-P242 VanDerWaalsContact O-CG 3.28Å; A238-P242 WeakPolarHBondContact O-CG 3.49Å |
| 239 | L | 43.6 | Very low | 43.5 | Very low | 87 Ų | 87 | 92.2 Ų | 92.2 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -86.4 | -30.4 | 172.9 | -74.9 | 167.9 | 0 | 0 | 0 | 112.1 | G235 A236 D237 P242 L243 | G235-L239 PolarHBondContact O-N 3.11Å; A236-L239 PolarHBondContact O-N 3.2Å; D237-L239 VanDerWaalsContact C-N 3.3Å; D237-L239 PolarHBondContact O-N 3.22Å; L239-P242 WeakPolarHBondContact O-CD 3.26Å; L239-L243 HydrophobicContact CB-CD1 4.33Å; L239-L243 VanDerWaalsContact O-CB 3.28Å; L239-L243 WeakPolarHBondContact O-CB 3.41Å; L239-L243 WeakPolarHBondContact O-CD1 3.38Å; L239-L243 WeakPolarHBondContact O-CG 3.43Å; L239-L243 PolarHBondContact O-N 2.99Å |
| 240 | R | 47.7 | Very low | 44.6 | Very low | 88 Ų | 88 | 87.3 Ų | 87.3 | 33% | 0.332 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.2 | -48.2 | -179.3 | -164.8 | 178.2 | -152.7 | -179.5 | 4.5 | 112.4 | A236 D237 L243 Q244 V274 | A236-R240 WeakPolarHBondContact O-CB 3.48Å; A236-R240 PolarHBondContact O-N 3.3Å; D237-R240 PolarHBondContact O-N 3.16Å; R240-L243 PolarHBondContact O-N 3.1Å; R240-Q244 HydrophobicContact CG-CG 4.27Å; R240-Q244 VanDerWaalsContact O-CB 3.28Å; R240-Q244 WeakPolarHBondContact O-CB 3.37Å; R240-Q244 VanDerWaalsContact O-CG 3.29Å; R240-Q244 WeakPolarHBondContact O-CG 3.42Å; R240-Q244 PolarHBondContact O-N 2.85Å; R240-V274 PolarHBondContact NH2-O 2.67Å |
| 241 | A | 53 | Low | 45.5 | Very low | 47 Ų | 47 | 86 Ų | 86 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -44 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | D237 R245 | D237-A241 PolarHBondContact O-N 3.01Å; A241-R245 WeakPolarHBondContact O-CG 3.35Å; A241-R245 PolarHBondContact O-N 2.88Å |
| 242 | P | 44.8 | Very low | 46.1 | Very low | 77 Ų | 77 | 88 Ų | 88 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 171.7 | -24.1 | 33.8 | 0 | 0 | 0 | 113.3 | A238 L239 R245 Y246 | A238-P242 WeakPolarHBondContact O-CD 3.18Å; A238-P242 VanDerWaalsContact O-CG 3.28Å; A238-P242 WeakPolarHBondContact O-CG 3.49Å; L239-P242 WeakPolarHBondContact O-CD 3.26Å; P242-R245 PolarHBondContact O-N 3.29Å; P242-Y246 WeakPolarHBondContact O-CB 3.46Å; P242-Y246 PolarHBondContact O-N 3.23Å |
| 243 | L | 48.4 | Very low | 47.2 | Very low | 26 Ų | 26 | 91.3 Ų | 91.3 | 14% | 0.136 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 177.9 | -81 | 162.1 | 0 | 0 | 0 | 111.3 | L239 R240 R245 Y246 C247 I266 V274 | L239-L243 HydrophobicContact CB-CD1 4.33Å; L239-L243 VanDerWaalsContact O-CB 3.28Å; L239-L243 WeakPolarHBondContact O-CB 3.41Å; L239-L243 WeakPolarHBondContact O-CD1 3.38Å; L239-L243 WeakPolarHBondContact O-CG 3.43Å; L239-L243 PolarHBondContact O-N 2.99Å; R240-L243 PolarHBondContact O-N 3.1Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 3.38Å; L243-Y246 PolarHBondContact O-N 2.86Å; L243-Y246 VanDerWaalsContact O-N 3.13Å; L243-C247 WeakPolarHBondContact O-CB 2.98Å; L243-C247 PolarHBondContact O-N 2.78Å; L243-I266 HydrophobicContact CD2-CD1 3.67Å; L243-V274 HydrophobicContact CB-CG2 3.73Å; L243-V274 HydrophobicContact CD1-CG2 3.58Å; L243-V274 HydrophobicContact CG-CG2 4.2Å |
| 244 | Q | 58.8 | Low | 48 | Very low | 87 Ų | 87 | 91.5 Ų | 91.5 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -33.2 | 174.3 | -76.8 | 177.7 | -20 | 0 | 0 | 112.8 | R240 G248 V274 | R240-Q244 HydrophobicContact CG-CG 4.27Å; R240-Q244 VanDerWaalsContact O-CB 3.28Å; R240-Q244 WeakPolarHBondContact O-CB 3.37Å; R240-Q244 VanDerWaalsContact O-CG 3.29Å; R240-Q244 WeakPolarHBondContact O-CG 3.42Å; R240-Q244 PolarHBondContact O-N 2.85Å; Q244-G248 CarbonylContact O-C 3.56Å; Q244-G248 VanDerWaalsContact O-CA 3.23Å; Q244-G248 WeakPolarHBondContact O-CA 3.39Å; Q244-G248 PolarHBondContact O-N 3.19Å; Q244-V274 HydrophobicContact CG-CG1 4.11Å |
| 245 | R | 56.9 | Low | 48.5 | Very low | 222 Ų | 222 | 89.3 Ų | 89.3 | 84% | 0.838 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.1 | -38.5 | 171.7 | -78.4 | -177.9 | -163.7 | -169.8 | 4.4 | 112.6 | A241 P242 L243 | A241-R245 WeakPolarHBondContact O-CG 3.35Å; A241-R245 PolarHBondContact O-N 2.88Å; P242-R245 PolarHBondContact O-N 3.29Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 3.38Å |
| 246 | Y | 48.3 | Very low | 49 | Very low | 138 Ų | 138 | 98.2 Ų | 98.2 | 54% | 0.541 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75.6 | -37.2 | 179.8 | -174 | -104.8 | 0 | 0 | 0 | 112.2 | P242 L243 P262 I266 | P242-Y246 WeakPolarHBondContact O-CB 3.46Å; P242-Y246 PolarHBondContact O-N 3.23Å; L243-Y246 PolarHBondContact O-N 2.86Å; L243-Y246 VanDerWaalsContact O-N 3.13Å; Y246-P262 HydrophobicContact CE1-CB 4.07Å; Y246-P262 VanDerWaalsContact CE1-O 3.25Å; Y246-P262 WeakPolarHBondContact CE1-O 3.44Å; Y246-P262 VanDerWaalsContact O-CG 3.29Å; Y246-P262 WeakPolarHBondContact O-CG 3.4Å; Y246-I266 HydrophobicContact CD1-CD1 4.05Å; Y246-I266 HydrophobicContact CE1-CD1 4.24Å |
| 247 | C | 52.4 | Low | 49.8 | Very low | 20 Ų | 20 | 105 Ų | 105 | 14% | 0.135 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -93.9 | -10.7 | -174 | -86.8 | 0 | 0 | 0 | 0 | 115.3 | L243 C263 | L243-C247 WeakPolarHBondContact O-CB 2.98Å; L243-C247 PolarHBondContact O-N 2.78Å; C247-C263 WeakPolarHBondContact CA-SG 3.15Å; C247-C263 HydrophobicContact CB-CB 4.32Å; C247-C263 WeakPolarHBondContact CB-SG 3.22Å; C247-C263 WeakPolarHBondContact SG-CB 3.43Å; C247-C263 CovalentContact SG-SG 2.02Å; C247-C263 PolarHBondContact SG-SG 3.32Å |
| 248 | G | 65.1 | Low | 49.8 | Very low | 28 Ų | 28 | 106.7 Ų | 106.7 | 29% | 0.289 | 53% | 0.53 | S | S | . | . | trans | 64.9 | 176 | -162.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q244 A250 | Q244-G248 CarbonylContact O-C 3.56Å; Q244-G248 VanDerWaalsContact O-CA 3.23Å; Q244-G248 WeakPolarHBondContact O-CA 3.39Å; Q244-G248 PolarHBondContact O-N 3.19Å; G248-A250 PolarHBondContact O-N 2.99Å | ||
| 249 | P | 56 | Low | 49.7 | Very low | 126 Ų | 126 | 107.6 Ų | 107.6 | 82% | 0.818 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -62.6 | 102.2 | 167.3 | 26.7 | -30.9 | 0 | 0 | 0 | 108 | D251 | P249-D251 PolarHBondContact O-N 2.8Š|
| 250 | A | 48.4 | Very low | 49.8 | Very low | 65 Ų | 65 | 112.2 Ų | 112.2 | 54% | 0.537 | 56% | 0.562 | S | S | . | * | trans | -68.9 | 78.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | G248 R252 | G248-A250 PolarHBondContact O-N 2.99Å; A250-R252 PolarHBondContact O-N 3.39Å | ||
| 251 | D | 50.2 | Low | 50.1 | Low | 91 Ų | 91 | 109.1 Ų | 109.1 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | trans | -70.2 | 116 | 161.3 | -172.5 | -7.7 | 0 | 0 | 0 | 106.8 | P249 K253 T254 | P249-D251 PolarHBondContact O-N 2.8Å; D251-K253 PolarHBondContact O-N 3.05Å; D251-K253 PolarHBondContact OD1-N 2.74Å; D251-T254 WeakPolarHBondContact CB-OG1 3.4Å; D251-T254 PolarHBondContact O-N 2.86Å; D251-T254 PolarHBondContact O-OG1 2.73Å | ||
| 252 | R | 43.4 | Very low | 49.8 | Very low | 202 Ų | 202 | 109.9 Ų | 109.9 | 76% | 0.762 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -18.4 | -179.9 | -89.5 | -179.9 | 166.7 | -179.6 | -2.5 | 112.3 | A250 | A250-R252 PolarHBondContact O-N 3.39Š|
| 253 | K | 49.1 | Very low | 50 | Low | 164 Ų | 164 | 106.7 Ų | 106.7 | 71% | 0.713 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -31.1 | 176.6 | -68.7 | -178.5 | 178.4 | 178.1 | 0 | 114.3 | D251 | D251-K253 PolarHBondContact O-N 3.05Å; D251-K253 PolarHBondContact OD1-N 2.74Å |
| 254 | T | 47.3 | Very low | 50.2 | Low | 68 Ų | 68 | 109.3 Ų | 109.3 | 42% | 0.417 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.4 | -36 | -179.3 | 18.7 | 0 | 0 | 0 | 0 | 112.4 | D251 R256 K257 E258 | D251-T254 WeakPolarHBondContact CB-OG1 3.4Å; D251-T254 PolarHBondContact O-N 2.86Å; D251-T254 PolarHBondContact O-OG1 2.73Å; T254-R256 PolarHBondContact O-N 2.81Å; T254-R256 VanDerWaalsContact O-N 3.12Å; T254-K257 PolarHBondContact O-N 3.26Å; T254-E258 PolarHBondContact O-N 2.85Å |
| 255 | V | 44.1 | Very low | 49.6 | Very low | 76 Ų | 76 | 111.7 Ų | 111.7 | 46% | 0.461 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.4 | -19.7 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 256 | R | 46.9 | Very low | 49.1 | Very low | 233 Ų | 233 | 102.3 Ų | 102.3 | 88% | 0.879 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -12.2 | 176.1 | -80.6 | -172.3 | 171.6 | -164.6 | -1.8 | 114.7 | T254 | T254-R256 PolarHBondContact O-N 2.81Å; T254-R256 VanDerWaalsContact O-N 3.12Å |
| 257 | K | 51.7 | Low | 49 | Very low | 190 Ų | 190 | 99.6 Ų | 99.6 | 83% | 0.826 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | -25.8 | -176.9 | -76.9 | -171.8 | 174.7 | -174.3 | 0 | 113.8 | T254 | T254-K257 PolarHBondContact O-N 3.26Š|
| 258 | E | 46.3 | Very low | 48.5 | Very low | 138 Ų | 138 | 104.6 Ų | 104.6 | 65% | 0.645 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -112.3 | 106 | -179.7 | -65.4 | -175.4 | 173 | 0 | 0 | 108.7 | T254 F260 | T254-E258 PolarHBondContact O-N 2.85Å; E258-F260 PolarHBondContact O-N 2.73Å |
| 259 | G | 40.8 | Very low | 47.1 | Very low | 87 Ų | 87 | 113.8 Ų | 113.8 | 90% | 0.897 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -66 | 25.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 260 | F | 46.4 | Very low | 46.2 | Very low | 183 Ų | 183 | 111.4 Ų | 111.4 | 80% | 0.803 | 57% | 0.568 | S | S | * | * | trans | -155.2 | 109.4 | 173.6 | -137 | -95.9 | 0 | 0 | 0 | 109 | E258 | E258-F260 PolarHBondContact O-N 2.73Š| ||
| 261 | S | 53.6 | Low | 45.7 | Very low | 23 Ų | 23 | 110.6 Ų | 110.6 | 16% | 0.161 | 55% | 0.554 | C | S | . | * | trans | -118.3 | 137.8 | 164.2 | 81.1 | 0 | 0 | 0 | 0 | 107.7 | C263 S264 | S261-C263 PolarHBondContact O-N 3.15Å; S261-C263 PolarHBondContact OG-N 2.74Å; S261-S264 PolarHBondContact O-N 2.97Å; S261-S264 PolarHBondContact O-OG 3.16Å | ||
| 262 | P | 47.4 | Very low | 45.3 | Very low | 63 Ų | 63 | 110.3 Ų | 110.3 | 41% | 0.409 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.4 | -10.7 | 174.5 | 20.7 | -30.8 | 0 | 0 | 0 | 113.3 | Y246 | Y246-P262 HydrophobicContact CE1-CB 4.07Å; Y246-P262 VanDerWaalsContact CE1-O 3.25Å; Y246-P262 WeakPolarHBondContact CE1-O 3.44Å; Y246-P262 VanDerWaalsContact O-CG 3.29Å; Y246-P262 WeakPolarHBondContact O-CG 3.4Å |
| 263 | C | 49 | Very low | 45.1 | Very low | 10 Ų | 10 | 103.7 Ų | 103.7 | 7% | 0.068 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -10.4 | 175.7 | -45.3 | 0 | 0 | 0 | 0 | 114.9 | C247 S261 D265 I266 L271 | C247-C263 WeakPolarHBondContact CA-SG 3.15Å; C247-C263 HydrophobicContact CB-CB 4.32Å; C247-C263 WeakPolarHBondContact CB-SG 3.22Å; C247-C263 WeakPolarHBondContact SG-CB 3.43Å; C247-C263 CovalentContact SG-SG 2.02Å; C247-C263 PolarHBondContact SG-SG 3.32Å; S261-C263 PolarHBondContact O-N 3.15Å; S261-C263 PolarHBondContact OG-N 2.74Å; C263-D265 PolarHBondContact O-N 3.48Å; C263-I266 HydrophobicContact CB-CD1 4.38Å; C263-I266 WeakPolarHBondContact O-CB 3.49Å; C263-I266 PolarHBondContact O-N 2.95Å; C263-L271 HydrophobicContact CB-CD2 4.09Å |
| 264 | S | 51.2 | Low | 44.3 | Very low | 81 Ų | 81 | 96.9 Ų | 96.9 | 57% | 0.566 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21 | -179.2 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | S261 | S261-S264 PolarHBondContact O-N 2.97Å; S261-S264 PolarHBondContact O-OG 3.16Å |
| 265 | D | 48.1 | Very low | 43.8 | Very low | 138 Ų | 138 | 96.3 Ų | 96.3 | 74% | 0.738 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -2.4 | 177 | -67.7 | -24.9 | 0 | 0 | 0 | 113.4 | C263 | C263-D265 PolarHBondContact O-N 3.48Š|
| 266 | I | 45 | Very low | 43.5 | Very low | 24 Ų | 24 | 96.9 Ų | 96.9 | 12% | 0.123 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -93.4 | 126.8 | -179.3 | -56.3 | 178.4 | 0 | 0 | 0 | 109.2 | L243 Y246 C263 N268 L270 L271 | L243-I266 HydrophobicContact CD2-CD1 3.67Å; Y246-I266 HydrophobicContact CD1-CD1 4.05Å; Y246-I266 HydrophobicContact CE1-CD1 4.24Å; C263-I266 HydrophobicContact CB-CD1 4.38Å; C263-I266 WeakPolarHBondContact O-CB 3.49Å; C263-I266 PolarHBondContact O-N 2.95Å; I266-N268 PolarHBondContact O-N 3.13Å; I266-L270 HydrophobicContact CG2-CB 3.58Å; I266-L270 HydrophobicContact CG2-CD1 4.35Å; I266-L271 HydrophobicContact CB-CD1 4.32Å; I266-L271 HydrophobicContact CB-CD2 4.32Å; I266-L271 HydrophobicContact CB-CG 4.14Å; I266-L271 HydrophobicContact CD1-CD2 4.4Å; I266-L271 HydrophobicContact CG2-CD2 4.24Å; I266-L271 HydrophobicContact CG2-CG 3.94Å |
| 267 | P | 45.7 | Very low | 43 | Very low | 81 Ų | 81 | 91.9 Ų | 91.9 | 53% | 0.526 | 51% | 0.51 | S | S | . | . | trans | -53.6 | 132.8 | 175.2 | -22.9 | 30.3 | 0 | 0 | 0 | 111.3 | R269 L270 L271 | P267-R269 PolarHBondContact O-N 3.25Å; P267-L270 HydrophobicContact CG-CD1 4.18Å; P267-L270 WeakPolarHBondContact O-CB 3.17Å; P267-L270 PolarHBondContact O-N 3.4Å; P267-L271 PolarHBondContact O-N 2.82Å | ||
| 268 | N | 42.7 | Very low | 42.2 | Very low | 125 Ų | 125 | 88 Ų | 88 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -48.2 | -32.1 | -178.6 | -77.6 | -20.1 | 0 | 0 | 0 | 114 | I266 L270 L271 D272 | I266-N268 PolarHBondContact O-N 3.13Å; N268-L270 VanDerWaalsContact C-N 3.28Å; N268-L270 PolarHBondContact O-N 3.43Å; N268-L271 PolarHBondContact O-N 2.84Å; N268-L271 VanDerWaalsContact O-N 3.14Å; N268-D272 PolarHBondContact O-N 3.32Å |
| 269 | R | 35.1 | Very low | 41.2 | Very low | 221 Ų | 221 | 90.4 Ų | 90.4 | 83% | 0.834 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.9 | -25.2 | 176.8 | -64.1 | -175.8 | 179.3 | -172.1 | -0.7 | 114.6 | P267 | P267-R269 PolarHBondContact O-N 3.25Å |
| 270 | L | 36.8 | Very low | 40.7 | Very low | 77 Ų | 77 | 89.1 Ų | 89.1 | 40% | 0.403 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -85.2 | -29.5 | 173.3 | -85.6 | 157.9 | 0 | 0 | 0 | 111.6 | I266 P267 N268 | I266-L270 HydrophobicContact CG2-CB 3.58Å; I266-L270 HydrophobicContact CG2-CD1 4.35Å; P267-L270 HydrophobicContact CG-CD1 4.18Å; P267-L270 WeakPolarHBondContact O-CB 3.17Å; P267-L270 PolarHBondContact O-N 3.4Å; N268-L270 VanDerWaalsContact C-N 3.28Å; N268-L270 PolarHBondContact O-N 3.43Å |
| 271 | L | 37.9 | Very low | 39.8 | Very low | 47 Ų | 47 | 85 Ų | 85 | 25% | 0.246 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -73.7 | -31.5 | 173.3 | -67.9 | 168.3 | 0 | 0 | 0 | 112 | C263 I266 P267 N268 V273 V274 G275 | C263-L271 HydrophobicContact CB-CD2 4.09Å; I266-L271 HydrophobicContact CB-CD1 4.32Å; I266-L271 HydrophobicContact CB-CD2 4.32Å; I266-L271 HydrophobicContact CB-CG 4.14Å; I266-L271 HydrophobicContact CD1-CD2 4.4Å; I266-L271 HydrophobicContact CG2-CD2 4.24Å; I266-L271 HydrophobicContact CG2-CG 3.94Å; P267-L271 PolarHBondContact O-N 2.82Å; N268-L271 PolarHBondContact O-N 2.84Å; N268-L271 VanDerWaalsContact O-N 3.14Å; L271-V273 PolarHBondContact O-N 3.24Å; L271-V274 WeakPolarHBondContact O-CB 3.19Å; L271-V274 PolarHBondContact O-N 3.47Å; L271-G275 PolarHBondContact O-N 3.05Å; L271-G275 VanDerWaalsContact O-N 3.07Å |
| 272 | D | 41.8 | Very low | 38.4 | Very low | 86 Ų | 86 | 89.1 Ų | 89.1 | 46% | 0.46 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -28.3 | 173.7 | -78.2 | -28.6 | 0 | 0 | 0 | 112.8 | N268 V274 N276 | N268-D272 PolarHBondContact O-N 3.32Å; D272-V274 VanDerWaalsContact C-N 3.3Å; D272-N276 PolarHBondContact O-N 3.05Å; D272-N276 VanDerWaalsContact O-N 3.16Å |
| 273 | V | 39.6 | Very low | 37.3 | Very low | 63 Ų | 63 | 90.4 Ų | 90.4 | 38% | 0.382 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.4 | -24.5 | 173.9 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | A236 L271 | A236-V273 HydrophobicContact CB-CG1 4.42Å; L271-V273 PolarHBondContact O-N 3.24Å |
| 274 | V | 32.6 | Very low | 36.3 | Very low | 21 Ų | 21 | 99 Ų | 99 | 13% | 0.127 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -86.3 | -29 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | R240 L243 Q244 L271 D272 | R240-V274 PolarHBondContact NH2-O 2.67Å; L243-V274 HydrophobicContact CB-CG2 3.73Å; L243-V274 HydrophobicContact CD1-CG2 3.58Å; L243-V274 HydrophobicContact CG-CG2 4.2Å; Q244-V274 HydrophobicContact CG-CG1 4.11Å; L271-V274 WeakPolarHBondContact O-CB 3.19Å; L271-V274 PolarHBondContact O-N 3.47Å; D272-V274 VanDerWaalsContact C-N 3.3Å |
| 275 | G | 36.3 | Very low | 35.2 | Very low | 55 Ų | 55 | 106.4 Ų | 106.4 | 57% | 0.567 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -98.4 | -19.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | L271 | L271-G275 PolarHBondContact O-N 3.05Å; L271-G275 VanDerWaalsContact O-N 3.07Å |
| 276 | N | 39 | Very low | 34.2 | Very low | 88 Ų | 88 | 105.5 Ų | 105.5 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | trans | -128.3 | 127.8 | -176.3 | -72.5 | -31.3 | 0 | 0 | 0 | 112.3 | D272 V278 | D272-N276 PolarHBondContact O-N 3.05Å; D272-N276 VanDerWaalsContact O-N 3.16Å; N276-V278 VanDerWaalsContact C-N 3.29Å; N276-V278 HydrophobicContact CB-CG2 3.97Å; N276-V278 PolarHBondContact O-N 3.27Å | ||
| 277 | T | 35.6 | Very low | 33.3 | Very low | 129 Ų | 129 | 108.9 Ų | 108.9 | 79% | 0.791 | 61% | 0.611 | S | S | * | * | trans | -68.8 | 84.7 | 163.8 | 43.9 | 0 | 0 | 0 | 0 | 108.7 | E279 | T277-E279 PolarHBondContact O-N 3.2Å; T277-E279 VanDerWaalsContact O-N 3.12Å | ||
| 278 | V | 34.8 | Very low | 32.5 | Very low | 107 Ų | 107 | 110.7 Ų | 110.7 | 65% | 0.648 | 62% | 0.621 | S | S | * | * | trans | -81.7 | 92.6 | 178.4 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | N276 A280 | N276-V278 VanDerWaalsContact C-N 3.29Å; N276-V278 HydrophobicContact CB-CG2 3.97Å; N276-V278 PolarHBondContact O-N 3.27Å; V278-A280 HydrophobicContact CG1-CB 3.93Å; V278-A280 PolarHBondContact O-N 3.03Å; V278-A280 VanDerWaalsContact O-N 3.16Å | ||
| 279 | E | 26.8 | Very low | 31.7 | Very low | 189 Ų | 189 | 111.2 Ų | 111.2 | 88% | 0.883 | 63% | 0.629 | S | S | * | * | trans | -65 | 97.3 | 153.3 | -72.6 | -176.7 | 155.8 | 0 | 0 | 107.7 | T277 P281 | T277-E279 PolarHBondContact O-N 3.2Å; T277-E279 VanDerWaalsContact O-N 3.12Å; E279-P281 WeakPolarHBondContact O-CD 3.47Å | ||
| 280 | A | 28.2 | Very low | 31.8 | Very low | 60 Ų | 60 | 103.6 Ų | 103.6 | 50% | 0.496 | 62% | 0.619 | S | S | . | * | trans | -105.6 | 107.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V278 | V278-A280 HydrophobicContact CG1-CB 3.93Å; V278-A280 PolarHBondContact O-N 3.03Å; V278-A280 VanDerWaalsContact O-N 3.16Å | ||
| 281 | P | 27.8 | Very low | 31.5 | Very low | 96 Ų | 96 | 108.2 Ų | 108.2 | 62% | 0.623 | 64% | 0.644 | S | S | * | * | trans | -67.4 | 147.9 | 176.1 | 25.6 | -32 | 0 | 0 | 0 | 112.4 | E279 S283 | E279-P281 WeakPolarHBondContact O-CD 3.47Å; P281-S283 PolarHBondContact O-N 2.78Å | ||
| 282 | C | 24.3 | Very low | 31.1 | Very low | 111 Ų | 111 | 116.3 Ų | 116.3 | 75% | 0.75 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -68 | 63.6 | 178.9 | -66.5 | 0 | 0 | 0 | 0 | 113.5 | N230 | N230-C282 PolarHBondContact OD1-SG 3.47Š|
| 283 | S | 26.1 | Very low | 30.4 | Very low | 89 Ų | 89 | 120.7 Ų | 120.7 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | trans | -147 | 100.8 | 168.6 | 65.2 | 0 | 0 | 0 | 0 | 110.2 | P281 | P281-S283 PolarHBondContact O-N 2.78Š| ||
| 284 | F | 27.9 | Very low | 29.8 | Very low | 192 Ų | 192 | 124.4 Ų | 124.4 | 84% | 0.842 | 71% | 0.706 | S | S | * | * | trans | -119.1 | 109.4 | 164.2 | -82.9 | -81 | 0 | 0 | 0 | 110.1 | ||||
| 285 | R | 26.3 | Very low | 29.6 | Very low | 236 Ų | 236 | 135 Ų | 135 | 89% | 0.891 | 74% | 0.744 | S | S | * | * | trans | -59.2 | 149.3 | 166.5 | -69.2 | 176.4 | 172.9 | -169.2 | -2.8 | 109.7 | A287 | R285-A287 PolarHBondContact O-N 3.49Š| ||
| 286 | S | 28.1 | Very low | 29.2 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -36.7 | 126.5 | 176.6 | 52 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 287 | A | 26.4 | Very low | 28.5 | Very low | 94 Ų | 94 | 149.7 Ų | 149.7 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | trans | -100.2 | 120.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | R285 | R285-A287 PolarHBondContact O-N 3.49Š| ||
| 288 | T | 27.5 | Very low | 28 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -73.1 | 138.7 | 175.5 | 23.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 289 | V | 27.9 | Very low | 27.6 | Very low | 135 Ų | 135 | 154.4 Ų | 154.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -122.9 | 99.1 | 170.6 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 290 | G | 36.4 | Very low | 27.7 | Very low | 61 Ų | 61 | 149 Ų | 149 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.9 | -167.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R292 | G290-R292 VanDerWaalsContact C-N 3.28Å; G290-R292 PolarHBondContact O-N 3.18Å |
| 291 | D | 31.1 | Very low | 27.6 | Very low | 175 Ų | 175 | 151.9 Ų | 151.9 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 12.2 | -173.8 | -71.5 | -27.1 | 0 | 0 | 0 | 115.4 | ||
| 292 | R | 28 | Very low | 27.5 | Very low | 217 Ų | 217 | 156 Ų | 156 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | -109.8 | 108.7 | -177 | -64.7 | -169.6 | -170.4 | -174.4 | 4.4 | 111.9 | G290 L294 | G290-R292 VanDerWaalsContact C-N 3.28Å; G290-R292 PolarHBondContact O-N 3.18Å; R292-L294 PolarHBondContact O-N 3.47Å | ||
| 293 | H | 28.5 | Very low | 27.7 | Very low | 178 Ų | 178 | 154.2 Ų | 154.2 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -63.9 | 95.9 | 167.6 | -86.2 | -88.7 | 0 | 0 | 0 | 111 | R295 | H293-R295 PolarHBondContact O-N 3.06Š| ||
| 294 | L | 26.9 | Very low | 27.5 | Very low | 140 Ų | 140 | 156.6 Ų | 156.6 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -77.8 | 98.2 | 164.8 | -73 | 169.3 | 0 | 0 | 0 | 109.2 | R292 Y296 | R292-L294 PolarHBondContact O-N 3.47Å; L294-Y296 HydrophobicContact CB-CD2 4.25Å; L294-Y296 HydrophobicContact CB-CE2 4.15Å; L294-Y296 PolarHBondContact O-N 3.3Å; L294-Y296 VanDerWaalsContact O-N 3.11Å | ||
| 295 | R | 27 | Very low | 27.7 | Very low | 245 Ų | 245 | 154.1 Ų | 154.1 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -69.5 | 97.6 | 168.6 | -73.8 | -176.9 | 178.8 | -178.3 | -0.2 | 109.4 | H293 | H293-R295 PolarHBondContact O-N 3.06Š| ||
| 296 | Y | 27.7 | Very low | 27.7 | Very low | 207 Ų | 207 | 154.4 Ų | 154.4 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -83.1 | 114.3 | 164.7 | -86.1 | -90.6 | 0 | 0 | 0 | 109.5 | L294 | L294-Y296 HydrophobicContact CB-CD2 4.25Å; L294-Y296 HydrophobicContact CB-CE2 4.15Å; L294-Y296 PolarHBondContact O-N 3.3Å; L294-Y296 VanDerWaalsContact O-N 3.11Å | ||
| 297 | R | 26.2 | Very low | 27.8 | Very low | 244 Ų | 244 | 159.8 Ų | 159.8 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -74.7 | 124.6 | 168.8 | -111.7 | -178.3 | 179 | -179.5 | -0.5 | 108.9 | ||||
| 298 | H | 25 | Very low | 27.8 | Very low | 168 Ų | 168 | 161 Ų | 161 | 78% | 0.778 | 82% | 0.816 | S | S | * | * | trans | -63.5 | 129.2 | 179.2 | -167.8 | -108.2 | 0 | 0 | 0 | 111.5 | ||||
| 299 | I | 26.6 | Very low | 27.8 | Very low | 167 Ų | 167 | 164.6 Ų | 164.6 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -111.4 | 110.7 | 158.3 | -61.1 | 177 | 0 | 0 | 0 | 105.8 | ||||
| 300 | S | 27.5 | Very low | 27.7 | Very low | 74 Ų | 74 | 169 Ų | 169 | 52% | 0.517 | 83% | 0.826 | S | S | . | * | trans | -67.6 | 128.6 | -176.4 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | M302 | S300-M302 PolarHBondContact O-N 3.2Š| ||
| 301 | S | 25.7 | Very low | 27.4 | Very low | 122 Ų | 122 | 175.2 Ų | 175.2 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | trans | -77.7 | 107.3 | 164.3 | 62.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 302 | M | 26.4 | Very low | 27.2 | Very low | 182 Ų | 182 | 178.3 Ų | 178.3 | 90% | 0.897 | 84% | 0.837 | S | S | * | * | trans | -87.7 | 137.6 | 158.8 | -84.6 | -166.7 | -89.2 | 0 | 0 | 109.1 | S300 | S300-M302 PolarHBondContact O-N 3.2Š| ||
| 303 | G | 27.7 | Very low | 27 | Very low | 73 Ų | 73 | 179.7 Ų | 179.7 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | trans | 120.8 | 49.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 304 | C | 22.9 | Very low | 26.9 | Very low | 139 Ų | 139 | 178 Ų | 178 | 94% | 0.939 | 84% | 0.844 | S | S | * | * | trans | -96.8 | 103.3 | 154.8 | -113.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 305 | T | 31.6 | Very low | 26.9 | Very low | 141 Ų | 141 | 176 Ų | 176 | 87% | 0.865 | 84% | 0.842 | S | S | * | * | trans | -131.7 | 134.6 | 165.2 | 42.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 306 | R | 27.2 | Very low | 27 | Very low | 242 Ų | 242 | 171.8 Ų | 171.8 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | trans | -67.5 | 160.2 | -176.3 | -72.4 | 170.1 | 164.6 | -179.3 | -5.5 | 113.4 | ||||
| 307 | R | 29.1 | Very low | 27 | Very low | 231 Ų | 231 | 167.7 Ų | 167.7 | 87% | 0.872 | 83% | 0.834 | S | S | * | * | trans | 115.4 | 99.2 | 160.5 | -70.1 | 178.5 | 173.6 | -175.3 | -1.3 | 112.6 | ||||
| 308 | T | 27.7 | Very low | 27.2 | Very low | 121 Ų | 121 | 161.4 Ų | 161.4 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | 53 | 97.7 | 89.4 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 309 | E | 27.5 | Very low | 27.3 | Very low | 194 Ų | 194 | 164.8 Ų | 164.8 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | trans | -162.3 | 141 | 140.4 | -114.3 | 164 | -167.9 | 0 | 0 | 112.2 | ||||
| 310 | R | 25.1 | Very low | 27.3 | Very low | 227 Ų | 227 | 166 Ų | 166 | 86% | 0.857 | 84% | 0.836 | S | S | * | * | trans | -79.7 | 132.5 | -173.5 | -62.9 | 162.5 | 163.7 | 178.2 | -5.3 | 109.1 | ||||
| 311 | H | 29.4 | Very low | 27.4 | Very low | 193 Ų | 193 | 168 Ų | 168 | 89% | 0.894 | 85% | 0.847 | S | S | * | * | trans | -153.4 | 151.2 | 149.5 | -86.9 | -69.3 | 0 | 0 | 0 | 112.6 | ||||
| 312 | R | 27 | Very low | 27.4 | Very low | 239 Ų | 239 | 169.9 Ų | 169.9 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | trans | -94.9 | 150.2 | -154.6 | -164 | 179.3 | -169.8 | 178.2 | 1.6 | 111.3 | ||||
| 313 | W | 24.6 | Very low | 27.4 | Very low | 246 Ų | 246 | 172.1 Ų | 172.1 | 93% | 0.932 | 84% | 0.844 | S | S | * | * | trans | -71.3 | 139 | 179.7 | -70.5 | 60.6 | 0 | 0 | 0 | 112.5 | ||||
| 314 | V | 26.1 | Very low | 27.4 | Very low | 143 Ų | 143 | 174.1 Ų | 174.1 | 87% | 0.867 | 84% | 0.844 | S | S | * | * | trans | -134.5 | 123.5 | 149.1 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 315 | S | 27.8 | Very low | 27.5 | Very low | 97 Ų | 97 | 176.5 Ų | 176.5 | 68% | 0.678 | 84% | 0.839 | S | S | * | * | trans | -74.5 | 138.4 | 174.7 | 51 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 316 | D | 27.7 | Very low | 27.4 | Very low | 158 Ų | 158 | 175.3 Ų | 175.3 | 85% | 0.845 | 83% | 0.834 | S | S | * | * | trans | -134.5 | 133.6 | 148.9 | -135.7 | -18 | 0 | 0 | 0 | 112.4 | ||||
| 317 | T | 28.8 | Very low | 27.3 | Very low | 120 Ų | 120 | 171.4 Ų | 171.4 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | trans | -90 | 118.1 | -170.1 | 33.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 318 | S | 28.9 | Very low | 27 | Very low | 113 Ų | 113 | 166.2 Ų | 166.2 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | 179.3 | 145.6 | 144.5 | 46.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 319 | R | 27.2 | Very low | 27 | Very low | 238 Ų | 238 | 170.5 Ų | 170.5 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | 87.1 | 86 | -173 | -52.1 | -176.7 | -179.6 | -159.3 | -1.6 | 113.8 | P321 | R319-P321 VanDerWaalsContact O-CD 3.23Å; R319-P321 WeakPolarHBondContact O-CD 3.34Å | ||
| 320 | Q | 27.9 | Very low | 27 | Very low | 194 Ų | 194 | 165.3 Ų | 165.3 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 118.4 | 164.2 | -70.9 | -177.3 | -4.6 | 0 | 0 | 109.4 | ||
| 321 | P | 28.8 | Very low | 27 | Very low | 115 Ų | 115 | 160.7 Ų | 160.7 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 130.9 | 164.5 | 28.7 | -29.4 | 0 | 0 | 0 | 108.6 | R319 R323 | R319-P321 VanDerWaalsContact O-CD 3.23Å; R319-P321 WeakPolarHBondContact O-CD 3.34Å; P321-R323 PolarHBondContact O-N 2.93Å; P321-R323 VanDerWaalsContact O-N 3.1Å |
| 322 | I | 26 | Very low | 26.8 | Very low | 161 Ų | 161 | 153.8 Ų | 153.8 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 118.1 | 164.1 | -63.7 | 166.8 | 0 | 0 | 0 | 106.6 | P324 | I322-P324 WeakPolarHBondContact O-CD 3.43Å; I322-P324 VanDerWaalsContact O-N 3.08Å |
| 323 | R | 26.3 | Very low | 27 | Very low | 229 Ų | 229 | 147.7 Ų | 147.7 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -61.1 | 113.3 | 177.5 | -70.2 | -176.7 | -179.5 | -168.4 | 0.5 | 107.8 | P321 F325 | P321-R323 PolarHBondContact O-N 2.93Å; P321-R323 VanDerWaalsContact O-N 3.1Å; R323-F325 PolarHBondContact O-N 2.81Å | ||
| 324 | P | 28.2 | Very low | 27.2 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | trans | -63.9 | 132.1 | 169.4 | 26.9 | -30.6 | 0 | 0 | 0 | 107.7 | I322 | I322-P324 WeakPolarHBondContact O-CD 3.43Å; I322-P324 VanDerWaalsContact O-N 3.08Å | ||
| 325 | F | 23.5 | Very low | 27.2 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | trans | -47.8 | 137.4 | 168.6 | -81.9 | -102.2 | 0 | 0 | 0 | 109.3 | R323 Q327 | R323-F325 PolarHBondContact O-N 2.81Å; F325-Q327 VanDerWaalsContact C-N 3.26Å; F325-Q327 PolarHBondContact O-N 3.3Å | ||
| 326 | P | 29.4 | Very low | 27 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | -66.1 | 92.3 | 169.5 | 26.3 | -30.2 | 0 | 0 | 0 | 108.6 | L328 | P326-L328 PolarHBondContact O-N 3.06Å; P326-L328 VanDerWaalsContact O-N 3.11Å | ||
| 327 | Q | 25.1 | Very low | 27.1 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | -62.7 | 107.1 | 160.4 | -80.6 | -179.1 | -15.4 | 0 | 0 | 106.7 | F325 W329 | F325-Q327 VanDerWaalsContact C-N 3.26Å; F325-Q327 PolarHBondContact O-N 3.3Å; Q327-W329 VanDerWaalsContact O-CD1 3.28Å; Q327-W329 PolarHBondContact O-N 3.42Å | ||
| 328 | L | 24.4 | Very low | 27.4 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 63% | 0.634 | 72% | 0.724 | S | S | * | * | trans | -76.5 | 114.9 | 177 | -143.8 | 105.7 | 0 | 0 | 0 | 108.2 | P326 L330 | P326-L328 PolarHBondContact O-N 3.06Å; P326-L328 VanDerWaalsContact O-N 3.11Å; L328-L330 PolarHBondContact O-N 3.03Å | ||
| 329 | W | 26.2 | Very low | 27.7 | Very low | 212 Ų | 212 | 140.3 Ų | 140.3 | 80% | 0.803 | 72% | 0.715 | S | S | * | * | trans | -78.7 | 115.2 | 174.2 | -66.8 | 73.2 | 0 | 0 | 0 | 109.1 | Q327 V331 | Q327-W329 VanDerWaalsContact O-CD1 3.28Å; Q327-W329 PolarHBondContact O-N 3.42Å; W329-V331 HydrophobicContact CB-CG2 4.12Å; W329-V331 PolarHBondContact O-N 3.44Å | ||
| 330 | L | 27.4 | Very low | 28.3 | Very low | 85 Ų | 85 | 135.3 Ų | 135.3 | 45% | 0.445 | 71% | 0.706 | S | S | . | * | trans | -75.2 | 101.3 | 166.5 | -85.2 | 141.8 | 0 | 0 | 0 | 108.3 | L328 L398 L424 | L328-L330 PolarHBondContact O-N 3.03Å; L330-L398 HydrophobicContact CD2-CD2 4.15Å; L330-L424 HydrophobicContact CB-CD1 3.96Å; L330-L424 HydrophobicContact CD1-CB 3.98Å; L330-L424 HydrophobicContact CD1-CD1 4.01Å; L330-L424 HydrophobicContact CD1-CD2 4.07Å; L330-L424 HydrophobicContact CD1-CG 4.23Å; L330-L424 HydrophobicContact CD2-CD1 4.21Å; L330-L424 HydrophobicContact CG-CD1 4.28Å | ||
| 331 | V | 25.2 | Very low | 28.6 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 79% | 0.788 | 70% | 0.696 | S | S | * | * | trans | -116.3 | 109.1 | 173.4 | -173.6 | 0 | 0 | 0 | 0 | 108.4 | W329 | W329-V331 HydrophobicContact CB-CG2 4.12Å; W329-V331 PolarHBondContact O-N 3.44Å | ||
| 332 | G | 25.8 | Very low | 29 | Very low | 47 Ų | 47 | 134.4 Ų | 134.4 | 49% | 0.485 | 70% | 0.695 | S | S | . | * | trans | -131.6 | 134.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109 | F334 | G332-F334 PolarHBondContact O-N 3.49Š| ||
| 333 | P | 30.4 | Very low | 29.3 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | trans | -71.6 | 118.5 | -179.9 | 26.7 | -31.6 | 0 | 0 | 0 | 110.9 | I335 | P333-I335 PolarHBondContact O-N 3.47Š| ||
| 334 | F | 30 | Very low | 29.5 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 49% | 0.491 | 69% | 0.694 | S | S | . | * | trans | -82 | 107.7 | 165.4 | -71 | -80.3 | 0 | 0 | 0 | 108.8 | G332 I420 | G332-F334 PolarHBondContact O-N 3.49Å; F334-I420 HydrophobicContact CD1-CD1 3.96Å; F334-I420 HydrophobicContact CE1-CB 4.33Å; F334-I420 HydrophobicContact CE1-CD1 3.12Å; F334-I420 HydrophobicContact CE1-CG1 4.28Å; F334-I420 HydrophobicContact CE1-CG2 4.47Å; F334-I420 HydrophobicContact CE2-CB 3.93Å; F334-I420 HydrophobicContact CE2-CD1 4.26Å; F334-I420 HydrophobicContact CE2-CG2 4.07Å; F334-I420 HydrophobicContact CZ-CB 3.59Å; F334-I420 HydrophobicContact CZ-CD1 3.32Å; F334-I420 HydrophobicContact CZ-CG1 4.03Å; F334-I420 HydrophobicContact CZ-CG2 3.53Å | ||
| 335 | I | 26 | Very low | 29.6 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | trans | -123.9 | 117.3 | 169 | -58.8 | 175.5 | 0 | 0 | 0 | 106.8 | P333 | P333-I335 PolarHBondContact O-N 3.47Š| ||
| 336 | G | 24.1 | Very low | 30.1 | Very low | 61 Ų | 61 | 129.5 Ų | 129.5 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 95 | 87.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 337 | R | 28.5 | Very low | 30.3 | Very low | 202 Ų | 202 | 127.4 Ų | 127.4 | 76% | 0.762 | 67% | 0.667 | S | S | * | * | trans | 157.9 | 143.2 | 134.8 | -88.5 | -178.5 | 178.7 | -167.6 | -3.9 | 109.7 | A391 | R337-A391 VanDerWaalsContact NH2-CB 3.26Š| ||
| 338 | D | 35.3 | Very low | 30.8 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 54% | 0.535 | 65% | 0.653 | S | S | . | * | trans | -49 | 128.8 | 177.8 | -125.4 | -26.7 | 0 | 0 | 0 | 111 | D340 H341 | D338-D340 PolarHBondContact O-N 3.38Å; D338-D340 VanDerWaalsContact O-N 3.1Å; D338-H341 PolarHBondContact O-N 3.44Å | ||
| 339 | P | 35.5 | Very low | 31.4 | Very low | 93 Ų | 93 | 123.2 Ų | 123.2 | 60% | 0.604 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -59.3 | -17.3 | 176.1 | 22.6 | -32.2 | 0 | 0 | 0 | 113.3 | H341 | P339-H341 VanDerWaalsContact C-N 3.3Å; P339-H341 PolarHBondContact O-N 3.28Å |
| 340 | D | 39.3 | Very low | 32.3 | Very low | 133 Ų | 133 | 113.3 Ų | 113.3 | 71% | 0.711 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -82 | 2.4 | -175.7 | -63.8 | -27 | 0 | 0 | 0 | 114.8 | D338 | D338-D340 PolarHBondContact O-N 3.38Å; D338-D340 VanDerWaalsContact O-N 3.1Å |
| 341 | H | 35 | Very low | 33 | Very low | 151 Ų | 151 | 113.5 Ų | 113.5 | 70% | 0.699 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -115.4 | 20.6 | -177.4 | -68.7 | -35.9 | 0 | 0 | 0 | 115.4 | D338 P339 P343 | D338-H341 PolarHBondContact O-N 3.44Å; P339-H341 VanDerWaalsContact C-N 3.3Å; P339-H341 PolarHBondContact O-N 3.28Å; H341-P343 WeakPolarHBondContact O-CD 3.31Å |
| 342 | L | 36.5 | Very low | 34.1 | Very low | 140 Ų | 140 | 108.7 Ų | 108.7 | 73% | 0.733 | 59% | 0.591 | S | S | * | * | trans | -84.5 | 114.8 | 170.3 | -72 | 168.2 | 0 | 0 | 0 | 110 | R344 | L342-R344 PolarHBondContact O-N 3.49Š| ||
| 343 | P | 32.4 | Very low | 35.2 | Very low | 108 Ų | 108 | 113.7 Ų | 113.7 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | trans | -59.6 | 136.5 | 176.1 | 24.1 | -31.7 | 0 | 0 | 0 | 109.8 | H341 A345 | H341-P343 WeakPolarHBondContact O-CD 3.31Å; P343-A345 WeakPolarHBondContact O-CA 3.37Å; P343-A345 PolarHBondContact O-N 3.26Å | ||
| 344 | R | 31.6 | Very low | 36.4 | Very low | 255 Ų | 255 | 111.4 Ų | 111.4 | 96% | 0.962 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -24.7 | 106.1 | 175.3 | -83.6 | 177.5 | 157.5 | -175.2 | -6.6 | 111.1 | L342 Q346 | L342-R344 PolarHBondContact O-N 3.49Å; R344-Q346 PolarHBondContact O-N 2.97Å |
| 345 | A | 30.3 | Very low | 37.8 | Very low | 56 Ų | 56 | 111.3 Ų | 111.3 | 46% | 0.463 | 59% | 0.591 | S | S | . | * | trans | -78.6 | 113.9 | -157.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P343 | P343-A345 WeakPolarHBondContact O-CA 3.37Å; P343-A345 PolarHBondContact O-N 3.26Å | ||
| 346 | Q | 34.4 | Very low | 39.5 | Very low | 171 Ų | 171 | 107.7 Ų | 107.7 | 80% | 0.799 | 57% | 0.574 | S | S | * | * | trans | -59.7 | 142.4 | 159.3 | -65.7 | 174.6 | -24.2 | 0 | 0 | 108.7 | R344 I348 | R344-Q346 PolarHBondContact O-N 2.97Å; Q346-I348 PolarHBondContact O-N 3.46Å | ||
| 347 | S | 33.4 | Very low | 41.6 | Very low | 72 Ų | 72 | 107.7 Ų | 107.7 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | trans | -60.1 | 113.2 | 172 | 45.8 | 0 | 0 | 0 | 0 | 109.3 | H349 | S347-H349 PolarHBondContact O-N 3.17Š| ||
| 348 | I | 34.4 | Very low | 43.1 | Very low | 87 Ų | 87 | 106.6 Ų | 106.6 | 45% | 0.446 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.4 | 109 | 172.6 | -57.1 | 177.9 | 0 | 0 | 0 | 106.8 | Q346 L350 L410 L412 | Q346-I348 PolarHBondContact O-N 3.46Å; I348-L350 HydrophobicContact CG2-CD2 3.44Å; I348-L350 VanDerWaalsContact CG2-CD2 3.44Å; I348-L350 HydrophobicContact CG2-CG 3.89Å; I348-L410 VanDerWaalsContact O-O 3.07Å; I348-L412 PolarHBondContact O-N 2.96Å |
| 349 | H | 37.6 | Very low | 45.3 | Very low | 108 Ų | 108 | 104.8 Ų | 104.8 | 50% | 0.5 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.6 | 117.3 | 168.6 | -69.5 | -79.8 | 0 | 0 | 0 | 109.2 | S347 | S347-H349 PolarHBondContact O-N 3.17Å |
| 350 | L | 44.4 | Very low | 47 | Very low | 4 Ų | 4 | 103.7 Ų | 103.7 | 2% | 0.021 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.2 | 175.2 | -57.2 | -178.2 | 0 | 0 | 0 | 111.1 | I348 I366 P368 L410 L412 | I348-L350 HydrophobicContact CG2-CD2 3.44Å; I348-L350 VanDerWaalsContact CG2-CD2 3.44Å; I348-L350 HydrophobicContact CG2-CG 3.89Å; L350-I366 HydrophobicContact CB-CG2 3.34Å; L350-I366 HydrophobicContact CD1-CG2 3.75Å; L350-I366 HydrophobicContact CG-CG2 4.11Å; L350-P368 HydrophobicContact CD2-CB 4.32Å; L350-L410 HydrophobicContact CB-CB 4.28Å; L350-L410 HydrophobicContact CD1-CD2 4.05Å; L350-L410 PolarHBondContact N-O 3.5Å; L350-L410 PolarHBondContact O-N 3.31Å; L350-L412 HydrophobicContact CD1-CD1 4.34Å |
| 351 | T | 43 | Very low | 48.4 | Very low | 88 Ų | 88 | 103.8 Ų | 103.8 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.9 | 171.5 | 49.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 352 | G | 48.2 | Very low | 49.8 | Very low | 30 Ų | 30 | 97 Ų | 97 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 155 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L365 | G352-L365 WeakPolarHBondContact CA-O 3.43Å |
| 353 | Q | 48.6 | Very low | 51.2 | Low | 152 Ų | 152 | 94 Ų | 94 | 71% | 0.71 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 137.8 | 174.2 | -65.6 | 179.6 | -12.3 | 0 | 0 | 110.3 | L355 A364 L365 | Q353-L355 PolarHBondContact O-N 3.23Å; Q353-A364 WeakPolarHBondContact O-CA 3.43Å; Q353-L365 PolarHBondContact N-O 2.9Å; Q353-L365 PolarHBondContact O-N 3.46Å |
| 354 | C | 56.7 | Low | 52.1 | Low | 63 Ų | 63 | 89.1 Ų | 89.1 | 43% | 0.426 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 124.5 | 170.8 | -169.2 | 0 | 0 | 0 | 0 | 108.1 | D356 C357 C362 F363 | C354-D356 VanDerWaalsContact SG-C 3.58Å; C354-D356 PolarHBondContact SG-O 3.46Å; C354-D356 VanDerWaalsContact SG-O 3.4Å; C354-C357 WeakPolarHBondContact CB-SG 3.39Å; C354-C357 WeakPolarHBondContact SG-CB 3.35Å; C354-C357 CovalentContact SG-SG 2.13Å; C354-C357 PolarHBondContact SG-SG 3.37Å; C354-C362 HydrophobicContact CB-CB 4.37Å; C354-C362 WeakPolarHBondContact SG-CB 3.46Å; C354-F363 CarbonylContact C-O 3.37Å; C354-F363 VanDerWaalsContact CA-O 3.31Å; C354-F363 WeakPolarHBondContact CA-O 3.19Å |
| 355 | L | 59.5 | Low | 53.1 | Low | 110 Ų | 110 | 78.5 Ų | 78.5 | 58% | 0.576 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -50.5 | 171.7 | -69.1 | -177.8 | 0 | 0 | 0 | 111.8 | Q353 F363 L365 | Q353-L355 PolarHBondContact O-N 3.23Å; L355-F363 PolarHBondContact N-O 3.17Å; L355-L365 HydrophobicContact CD1-CB 3.68Å; L355-L365 HydrophobicContact CD1-CD1 4Å; L355-L365 HydrophobicContact CD1-CG 4.31Å; L355-L365 HydrophobicContact CD2-CB 4.04Å; L355-L365 HydrophobicContact CG-CB 3.8Å |
| 356 | D | 61.7 | Low | 54.3 | Low | 78 Ų | 78 | 75.9 Ų | 75.9 | 42% | 0.417 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 139.4 | 179.7 | -174.5 | 27.2 | 0 | 0 | 0 | 109.2 | C354 R358 C362 F363 | C354-D356 VanDerWaalsContact SG-C 3.58Å; C354-D356 PolarHBondContact SG-O 3.46Å; C354-D356 VanDerWaalsContact SG-O 3.4Å; D356-R358 IonicContact OD2-NE 3.7Å; D356-C362 CarbonylContact O-C 3.47Å; D356-C362 WeakPolarHBondContact O-CA 3.34Å; D356-F363 HydrophobicContact CB-CD2 4.48Å; D356-F363 PolarHBondContact O-N 3.27Å |
| 357 | C | 66.9 | Low | 54.8 | Low | 61 Ų | 61 | 76 Ų | 76 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 119.4 | -174 | -34.8 | 0 | 0 | 0 | 0 | 109.3 | C354 W361 C362 | C354-C357 WeakPolarHBondContact CB-SG 3.39Å; C354-C357 WeakPolarHBondContact SG-CB 3.35Å; C354-C357 CovalentContact SG-SG 2.13Å; C354-C357 PolarHBondContact SG-SG 3.37Å; C357-W361 CarbonylContact C-O 3.57Å; C357-W361 VanDerWaalsContact CA-O 3.26Å; C357-W361 WeakPolarHBondContact CA-O 3.38Å; C357-C362 HydrophobicContact CB-CB 4.32Å; C357-C362 WeakPolarHBondContact CB-SG 3.46Å; C357-C362 PolarHBondContact SG-SG 3.39Å |
| 358 | R | 61.7 | Low | 55.2 | Low | 179 Ų | 179 | 74.2 Ų | 74.2 | 68% | 0.675 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 107.3 | 178.1 | -68.3 | -168.9 | -178.5 | -167.9 | 0.8 | 111.1 | D356 W361 | D356-R358 IonicContact OD2-NE 3.7Å; R358-W361 PolarHBondContact N-O 3Å; R358-W361 PolarHBondContact O-N 3.11Å |
| 359 | G | 80.1 | Confident | 55.6 | Low | 62 Ų | 62 | 77.1 Ų | 77.1 | 64% | 0.639 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | -131.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | W361 | G359-W361 PolarHBondContact O-N 2.79Š|
| 360 | P | 72.4 | Confident | 55.5 | Low | 70 Ų | 70 | 80.5 Ų | 80.5 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -0.1 | 175.9 | 33.7 | -33.9 | 0 | 0 | 0 | 112.9 | Q403 K404 | P360-Q403 HydrophobicContact CB-CG 4.4Å; P360-Q403 CarbonylContact O-C 3.4Å; P360-Q403 WeakPolarHBondContact O-CA 3.44Å; P360-Q403 WeakPolarHBondContact O-CG 3.46Å; P360-K404 PolarHBondContact O-N 3.16Å |
| 361 | W | 67 | Low | 54.9 | Low | 134 Ų | 134 | 83.6 Ų | 83.6 | 51% | 0.508 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 145.9 | -173.6 | -57.7 | 108.5 | 0 | 0 | 0 | 112.6 | C357 R358 G359 V401 A402 Q403 | C357-W361 CarbonylContact C-O 3.57Å; C357-W361 VanDerWaalsContact CA-O 3.26Å; C357-W361 WeakPolarHBondContact CA-O 3.38Å; R358-W361 PolarHBondContact N-O 3Å; R358-W361 PolarHBondContact O-N 3.11Å; G359-W361 PolarHBondContact O-N 2.79Å; W361-V401 HydrophobicContact CB-CG1 4.28Å; W361-V401 HydrophobicContact CE3-CG1 4.18Å; W361-A402 CarbonylContact C-O 3.5Å; W361-A402 WeakPolarHBondContact CA-O 3.26Å; W361-Q403 HydrophobicContact CZ3-CB 4.47Å |
| 362 | C | 65.8 | Low | 54.4 | Low | 9 Ų | 9 | 87.8 Ų | 87.8 | 6% | 0.061 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 128.4 | -173.1 | -72.2 | 0 | 0 | 0 | 0 | 109.2 | C354 D356 C357 V401 A402 K404 | C354-C362 HydrophobicContact CB-CB 4.37Å; C354-C362 WeakPolarHBondContact SG-CB 3.46Å; D356-C362 CarbonylContact O-C 3.47Å; D356-C362 WeakPolarHBondContact O-CA 3.34Å; C357-C362 HydrophobicContact CB-CB 4.32Å; C357-C362 WeakPolarHBondContact CB-SG 3.46Å; C357-C362 PolarHBondContact SG-SG 3.39Å; C362-V401 CarbonylContact O-C 3.37Å; C362-V401 WeakPolarHBondContact O-CA 3.11Å; C362-A402 WeakPolarHBondContact CB-O 3.26Å; C362-A402 PolarHBondContact N-O 3.25Å; C362-A402 PolarHBondContact O-N 2.71Å; C362-K404 WeakPolarHBondContact SG-CA 3.42Å |
| 363 | F | 66.3 | Low | 53.8 | Low | 77 Ų | 77 | 91 Ų | 91 | 34% | 0.338 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 123.5 | 164.3 | -70.2 | -84.7 | 0 | 0 | 0 | 108.1 | C354 L355 D356 T399 V401 | C354-F363 CarbonylContact C-O 3.37Å; C354-F363 VanDerWaalsContact CA-O 3.31Å; C354-F363 WeakPolarHBondContact CA-O 3.19Å; L355-F363 PolarHBondContact N-O 3.17Å; D356-F363 HydrophobicContact CB-CD2 4.48Å; D356-F363 PolarHBondContact O-N 3.27Å; F363-T399 HydrophobicContact CD1-CG2 4.23Å; F363-V401 HydrophobicContact CD1-CG2 3.95Å; F363-V401 HydrophobicContact CE1-CG2 3.74Å; F363-V401 HydrophobicContact CZ-CG2 4.47Å |
| 364 | A | 51.5 | Low | 52.9 | Low | 6 Ų | 6 | 87.1 Ų | 87.1 | 5% | 0.05 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q353 V400 | Q353-A364 WeakPolarHBondContact O-CA 3.43Å; A364-V400 PolarHBondContact N-O 3.42Å; A364-V400 PolarHBondContact O-N 3.14Å |
| 365 | L | 52.2 | Low | 51.5 | Low | 32 Ų | 32 | 87.7 Ų | 87.7 | 17% | 0.168 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.4 | 168.9 | -162.9 | 74.8 | 0 | 0 | 0 | 108.2 | G352 Q353 L355 R367 I397 | G352-L365 WeakPolarHBondContact CA-O 3.43Å; Q353-L365 PolarHBondContact N-O 2.9Å; Q353-L365 PolarHBondContact O-N 3.46Å; L355-L365 HydrophobicContact CD1-CB 3.68Å; L355-L365 HydrophobicContact CD1-CD1 4Å; L355-L365 HydrophobicContact CD1-CG 4.31Å; L355-L365 HydrophobicContact CD2-CB 4.04Å; L355-L365 HydrophobicContact CG-CB 3.8Å; L365-R367 HydrophobicContact CD2-CG 4Å; L365-R367 HydrophobicContact CG-CG 4.4Å; L365-I397 HydrophobicContact CD1-CG2 3.21Å; L365-I397 HydrophobicContact CG-CG2 4.17Å |
| 366 | I | 54.7 | Low | 50.4 | Low | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 106.1 | 169.8 | -56.4 | -174.2 | 0 | 0 | 0 | 106.8 | L350 L398 V400 V408 L410 | L350-I366 HydrophobicContact CB-CG2 3.34Å; L350-I366 HydrophobicContact CD1-CG2 3.75Å; L350-I366 HydrophobicContact CG-CG2 4.11Å; I366-L398 HydrophobicContact CB-CB 3.91Å; I366-L398 PolarHBondContact N-O 3.22Å; I366-L398 PolarHBondContact O-N 3.35Å; I366-V400 HydrophobicContact CD1-CB 4.23Å; I366-V400 HydrophobicContact CD1-CG2 3.4Å; I366-V400 VanDerWaalsContact CD1-CG2 3.4Å; I366-V400 HydrophobicContact CG1-CG2 4.07Å; I366-V408 HydrophobicContact CD1-CG1 3.82Å; I366-L410 HydrophobicContact CD1-CB 4.37Å |
| 367 | R | 45 | Very low | 49.2 | Very low | 173 Ų | 173 | 90.1 Ų | 90.1 | 65% | 0.653 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 121.1 | 169.9 | -67.6 | -174.9 | 179.1 | -177.8 | 0.8 | 107.2 | L365 F369 | L365-R367 HydrophobicContact CD2-CG 4Å; L365-R367 HydrophobicContact CG-CG 4.4Å; R367-F369 PolarHBondContact O-N 3.35Å |
| 368 | P | 42.5 | Very low | 47.9 | Very low | 36 Ų | 36 | 98.5 Ų | 98.5 | 23% | 0.234 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 129.8 | 167.6 | 25.9 | -31.3 | 0 | 0 | 0 | 107.5 | L350 R370 V395 R396 | L350-P368 HydrophobicContact CD2-CB 4.32Å; P368-R370 PolarHBondContact O-N 3.37Å; P368-V395 HydrophobicContact CG-CG1 3.98Å; P368-R396 WeakPolarHBondContact CD-O 3.23Å; P368-R396 WeakPolarHBondContact CG-O 3.4Å |
| 369 | F | 41.1 | Very low | 46.8 | Very low | 148 Ų | 148 | 101.9 Ų | 101.9 | 65% | 0.649 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 137.8 | 165.5 | -89.3 | -89.8 | 0 | 0 | 0 | 107.6 | R367 G371 | R367-F369 PolarHBondContact O-N 3.35Å; F369-G371 VanDerWaalsContact C-N 3.34Å; F369-G371 PolarHBondContact O-N 2.95Å |
| 370 | R | 36.1 | Very low | 45 | Very low | 178 Ų | 178 | 106.4 Ų | 106.4 | 67% | 0.672 | 55% | 0.547 | S | S | * | . | trans | -52.9 | 109.9 | 162.8 | -88.8 | -178.7 | 174.5 | 172.2 | -1.4 | 105.1 | P368 H372 | P368-R370 PolarHBondContact O-N 3.37Å; R370-H372 VanDerWaalsContact C-N 3.26Å; R370-H372 PolarHBondContact O-N 3.16Å | ||
| 371 | G | 32.1 | Very low | 43.2 | Very low | 69 Ų | 69 | 106.9 Ų | 106.9 | 71% | 0.711 | 57% | 0.565 | S | S | * | * | trans | -58.5 | 101 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | F369 S373 | F369-G371 VanDerWaalsContact C-N 3.34Å; F369-G371 PolarHBondContact O-N 2.95Å; G371-S373 PolarHBondContact O-N 2.94Å | ||
| 372 | H | 32.9 | Very low | 41.8 | Very low | 176 Ų | 176 | 103.6 Ų | 103.6 | 82% | 0.815 | 57% | 0.573 | S | S | * | * | trans | -69.8 | 71.1 | 156.1 | -72.9 | -60.6 | 0 | 0 | 0 | 105.6 | R370 G374 | R370-H372 VanDerWaalsContact C-N 3.26Å; R370-H372 PolarHBondContact O-N 3.16Å; H372-G374 PolarHBondContact O-N 3.5Å | ||
| 373 | S | 34.7 | Very low | 40.7 | Very low | 97 Ų | 97 | 108.7 Ų | 108.7 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | trans | -62.4 | 99.1 | 153.8 | 61.1 | 0 | 0 | 0 | 0 | 103.7 | G371 A375 | G371-S373 PolarHBondContact O-N 2.94Å; S373-A375 PolarHBondContact O-N 3.18Å | ||
| 374 | G | 29.7 | Very low | 39.9 | Very low | 71 Ų | 71 | 110.8 Ų | 110.8 | 73% | 0.732 | 63% | 0.633 | S | S | * | * | trans | -62.9 | 41.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | H372 T376 | H372-G374 PolarHBondContact O-N 3.5Å; G374-T376 PolarHBondContact O-N 3.27Å; G374-T376 PolarHBondContact O-OG1 3.12Å | ||
| 375 | A | 28.4 | Very low | 39 | Very low | 76 Ų | 76 | 114.2 Ų | 114.2 | 63% | 0.628 | 67% | 0.669 | S | S | * | * | trans | -69.3 | 74.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | S373 P377 | S373-A375 PolarHBondContact O-N 3.18Å; A375-P377 WeakPolarHBondContact O-CD 3.49Å; A375-P377 VanDerWaalsContact O-N 3.14Å | ||
| 376 | T | 35.7 | Very low | 38.3 | Very low | 120 Ų | 120 | 118.9 Ų | 118.9 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | trans | -49.4 | 118.2 | 152.8 | -30 | 0 | 0 | 0 | 0 | 105 | G374 R378 | G374-T376 PolarHBondContact O-N 3.27Å; G374-T376 PolarHBondContact O-OG1 3.12Å; T376-R378 PolarHBondContact O-N 3.4Å | ||
| 377 | P | 36.8 | Very low | 37.4 | Very low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | -63.3 | 101.8 | -176 | 23.4 | -31 | 0 | 0 | 0 | 107.9 | A375 R379 | A375-P377 WeakPolarHBondContact O-CD 3.49Å; A375-P377 VanDerWaalsContact O-N 3.14Å; P377-R379 PolarHBondContact O-N 3.1Å | ||
| 378 | R | 38.6 | Very low | 37 | Very low | 238 Ų | 238 | 125.5 Ų | 125.5 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | trans | -63.6 | 110.8 | 164.5 | -93.1 | -171 | 169.4 | -161.8 | -2.2 | 105.6 | T376 I380 | T376-R378 PolarHBondContact O-N 3.4Å; R378-I380 PolarHBondContact O-N 3.16Å | ||
| 379 | R | 38.7 | Very low | 36.7 | Very low | 249 Ų | 249 | 129.8 Ų | 129.8 | 94% | 0.94 | 78% | 0.776 | S | S | * | * | trans | -54.5 | 103.3 | 164 | -86.1 | -177.8 | 166.3 | -159.8 | -2.4 | 107 | P377 G381 | P377-R379 PolarHBondContact O-N 3.1Å; R379-G381 PolarHBondContact O-N 3.1Å | ||
| 380 | I | 42.3 | Very low | 36.3 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -76.1 | 101.8 | 161 | -62.9 | 175 | 0 | 0 | 0 | 104.6 | R378 G382 | R378-I380 PolarHBondContact O-N 3.16Å; I380-G382 PolarHBondContact O-N 3.33Å | ||
| 381 | G | 35.3 | Very low | 36.1 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -66.4 | 113.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | R379 | R379-G381 PolarHBondContact O-N 3.1Š| ||
| 382 | G | 37.5 | Very low | 36 | Very low | 66 Ų | 66 | 128.4 Ų | 128.4 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | trans | 173.2 | 115.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I380 | I380-G382 PolarHBondContact O-N 3.33Š| ||
| 383 | S | 42.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -43.9 | 152.4 | -174.1 | 48.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 384 | S | 49.5 | Very low | 36.1 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | 82.2 | 79.3 | 167.4 | 78.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 385 | G | 31.6 | Very low | 36.3 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | 49.5 | 94.8 | 122.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 386 | T | 37.9 | Very low | 36.8 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | -159 | 128.6 | 127.6 | 32.2 | 0 | 0 | 0 | 0 | 108.4 | M388 | T386-M388 PolarHBondContact O-N 3.34Š| |||
| 387 | P | 36.6 | Very low | 37 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | trans | -67.2 | 109.2 | 178.2 | 25.6 | -31 | 0 | 0 | 0 | 109.6 | T389 | P387-T389 PolarHBondContact O-N 3.18Š| ||
| 388 | M | 35.8 | Very low | 37.8 | Very low | 185 Ų | 185 | 125 Ų | 125 | 91% | 0.911 | 72% | 0.718 | S | S | * | * | trans | -63.1 | 106.5 | 166.9 | -82.3 | -171 | -167.8 | 0 | 0 | 108.7 | T386 R390 | T386-M388 PolarHBondContact O-N 3.34Å; M388-R390 PolarHBondContact O-N 2.9Å; M388-R390 VanDerWaalsContact O-N 3.1Å | ||
| 389 | T | 36.8 | Very low | 38.3 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 77% | 0.767 | 70% | 0.699 | S | S | * | * | trans | -51.4 | 116.9 | 165.7 | 33.1 | 0 | 0 | 0 | 0 | 109.3 | P387 A391 | P387-T389 PolarHBondContact O-N 3.18Å; T389-A391 PolarHBondContact O-N 3.36Å | ||
| 390 | R | 33.2 | Very low | 39.1 | Very low | 253 Ų | 253 | 106.9 Ų | 106.9 | 96% | 0.955 | 66% | 0.661 | S | S | * | * | trans | -49.5 | 98.4 | 166 | -98.2 | -179.9 | 170.8 | 177.3 | -2.2 | 108.6 | M388 G392 | M388-R390 PolarHBondContact O-N 2.9Å; M388-R390 VanDerWaalsContact O-N 3.1Å; R390-G392 PolarHBondContact O-N 3.32Å | ||
| 391 | A | 31.7 | Very low | 39.6 | Very low | 62 Ų | 62 | 101.2 Ų | 101.2 | 51% | 0.512 | 63% | 0.634 | S | S | . | * | trans | -73.8 | 106.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | R337 T389 | R337-A391 VanDerWaalsContact NH2-CB 3.26Å; T389-A391 PolarHBondContact O-N 3.36Å | ||
| 392 | G | 30.1 | Very low | 40.6 | Very low | 51 Ų | 51 | 97.6 Ų | 97.6 | 53% | 0.526 | 60% | 0.596 | S | S | . | * | trans | -56.3 | 157.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R390 T394 | R390-G392 PolarHBondContact O-N 3.32Å; G392-T394 PolarHBondContact O-N 2.83Å | ||
| 393 | P | 34.9 | Very low | 41.7 | Very low | 97 Ų | 97 | 97.1 Ų | 97.1 | 63% | 0.63 | 58% | 0.576 | S | S | * | * | trans | -62 | 104.1 | 179.8 | 25.2 | -32.8 | 0 | 0 | 0 | 109.9 | V395 | P393-V395 PolarHBondContact O-N 2.88Š| ||
| 394 | T | 34.6 | Very low | 42.5 | Very low | 117 Ų | 117 | 98.7 Ų | 98.7 | 72% | 0.718 | 57% | 0.568 | S | S | * | * | trans | -67.3 | 99.2 | 168.3 | 22.4 | 0 | 0 | 0 | 0 | 109 | G392 R396 | G392-T394 PolarHBondContact O-N 2.83Å; T394-R396 PolarHBondContact O-N 3.16Å | ||
| 395 | V | 33.6 | Very low | 42.9 | Very low | 84 Ų | 84 | 95.4 Ų | 95.4 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | trans | -71.9 | 110.7 | 171.1 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | P368 P393 | P368-V395 HydrophobicContact CG-CG1 3.98Å; P393-V395 PolarHBondContact O-N 2.88Å | ||
| 396 | R | 39.7 | Very low | 44 | Very low | 130 Ų | 130 | 93.1 Ų | 93.1 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | trans | -95.5 | 111.2 | 179.3 | -65.4 | -176.6 | 179.1 | -176.7 | -0.1 | 110 | P368 T394 L398 | P368-R396 WeakPolarHBondContact CD-O 3.23Å; P368-R396 WeakPolarHBondContact CG-O 3.4Å; T394-R396 PolarHBondContact O-N 3.16Å; R396-L398 PolarHBondContact O-N 3.47Å | ||
| 397 | I | 39.3 | Very low | 44.6 | Very low | 115 Ų | 115 | 91.8 Ų | 91.8 | 59% | 0.59 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 119.8 | 179 | -64.2 | 173.7 | 0 | 0 | 0 | 109.5 | L365 | L365-I397 HydrophobicContact CD1-CG2 3.21Å; L365-I397 HydrophobicContact CG-CG2 4.17Å |
| 398 | L | 54.1 | Low | 45.1 | Very low | 45 Ų | 45 | 87 Ų | 87 | 24% | 0.236 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.1 | 165.6 | -113.8 | 115.6 | 0 | 0 | 0 | 108.8 | L330 I366 R396 V400 L410 | L330-L398 HydrophobicContact CD2-CD2 4.15Å; I366-L398 HydrophobicContact CB-CB 3.91Å; I366-L398 PolarHBondContact N-O 3.22Å; I366-L398 PolarHBondContact O-N 3.35Å; R396-L398 PolarHBondContact O-N 3.47Å; L398-V400 HydrophobicContact CD2-CG2 4.15Å; L398-L410 HydrophobicContact CD1-CD2 4.48Å; L398-L410 HydrophobicContact CD2-CD2 4.29Å |
| 399 | T | 48.8 | Very low | 45.6 | Very low | 83 Ų | 83 | 80.8 Ų | 80.8 | 51% | 0.509 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 121.6 | 171.6 | -52.5 | 0 | 0 | 0 | 0 | 108.2 | F363 | F363-T399 HydrophobicContact CD1-CG2 4.23Å |
| 400 | V | 54.9 | Low | 46.2 | Very low | 23 Ų | 23 | 75.3 Ų | 75.3 | 14% | 0.139 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.3 | 179.8 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | A364 I366 L398 V408 | A364-V400 PolarHBondContact N-O 3.42Å; A364-V400 PolarHBondContact O-N 3.14Å; I366-V400 HydrophobicContact CD1-CB 4.23Å; I366-V400 HydrophobicContact CD1-CG2 3.4Å; I366-V400 VanDerWaalsContact CD1-CG2 3.4Å; I366-V400 HydrophobicContact CG1-CG2 4.07Å; L398-V400 HydrophobicContact CD2-CG2 4.15Å; V400-V408 HydrophobicContact CB-CG1 4.4Å; V400-V408 HydrophobicContact CG1-CG1 4Å; V400-V408 HydrophobicContact CG1-CG2 4.34Å |
| 401 | V | 53.5 | Low | 46.6 | Very low | 37 Ų | 37 | 65.6 Ų | 65.6 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 117.8 | 170.3 | -176.9 | 0 | 0 | 0 | 0 | 108 | W361 C362 F363 | W361-V401 HydrophobicContact CB-CG1 4.28Å; W361-V401 HydrophobicContact CE3-CG1 4.18Å; C362-V401 CarbonylContact O-C 3.37Å; C362-V401 WeakPolarHBondContact O-CA 3.11Å; F363-V401 HydrophobicContact CD1-CG2 3.95Å; F363-V401 HydrophobicContact CE1-CG2 3.74Å; F363-V401 HydrophobicContact CZ-CG2 4.47Å |
| 402 | A | 55.7 | Low | 47.2 | Very low | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.033 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 161.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | W361 C362 T406 V408 | W361-A402 CarbonylContact C-O 3.5Å; W361-A402 WeakPolarHBondContact CA-O 3.26Å; C362-A402 WeakPolarHBondContact CB-O 3.26Å; C362-A402 PolarHBondContact N-O 3.25Å; C362-A402 PolarHBondContact O-N 2.71Å; A402-T406 WeakPolarHBondContact CB-OG1 3.45Å; A402-V408 HydrophobicContact CB-CG2 3.32Å |
| 403 | Q | 61.5 | Low | 47.4 | Very low | 56 Ų | 56 | 64 Ų | 64 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 147.5 | 173.7 | -165.3 | -177.1 | -15.1 | 0 | 0 | 109.4 | P360 W361 G405 T406 R432 | P360-Q403 HydrophobicContact CB-CG 4.4Å; P360-Q403 CarbonylContact O-C 3.4Å; P360-Q403 WeakPolarHBondContact O-CA 3.44Å; P360-Q403 WeakPolarHBondContact O-CG 3.46Å; W361-Q403 HydrophobicContact CZ3-CB 4.47Å; Q403-G405 PolarHBondContact O-N 2.96Å; Q403-G405 VanDerWaalsContact O-N 3.16Å; Q403-T406 HydrophobicContact CB-CG2 3.83Å; Q403-T406 PolarHBondContact N-OG1 3.28Å; Q403-T406 VanDerWaalsContact N-OG1 3.15Å; Q403-T406 PolarHBondContact O-N 2.67Å; Q403-T406 PolarHBondContact O-OG1 3.48Å; Q403-R432 VanDerWaalsContact NE2-NH2 3.15Å |
| 404 | K | 57.9 | Low | 47.3 | Very low | 148 Ų | 148 | 61.4 Ų | 61.4 | 64% | 0.643 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 124.6 | 175.2 | -171.4 | 178.5 | 179.5 | -178.4 | 0 | 109.9 | P360 C362 | P360-K404 PolarHBondContact O-N 3.16Å; C362-K404 WeakPolarHBondContact SG-CA 3.42Å |
| 405 | G | 59.5 | Low | 47.2 | Very low | 52 Ų | 52 | 58.5 Ų | 58.5 | 54% | 0.536 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 0.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q403 Q433 | Q403-G405 PolarHBondContact O-N 2.96Å; Q403-G405 VanDerWaalsContact O-N 3.16Å; G405-Q433 WeakPolarHBondContact O-CB 3.45Å; G405-Q433 PolarHBondContact O-OE1 3.23Å; G405-Q433 VanDerWaalsContact O-OE1 3.05Å |
| 406 | T | 53.6 | Low | 47.3 | Very low | 30 Ų | 30 | 64.2 Ų | 64.2 | 18% | 0.184 | 37% | 0.372 | C | S | . | . | trans | -89.7 | 128.5 | 172.3 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | A402 Q403 V408 R432 | A402-T406 WeakPolarHBondContact CB-OG1 3.45Å; Q403-T406 HydrophobicContact CB-CG2 3.83Å; Q403-T406 PolarHBondContact N-OG1 3.28Å; Q403-T406 VanDerWaalsContact N-OG1 3.15Å; Q403-T406 PolarHBondContact O-N 2.67Å; Q403-T406 PolarHBondContact O-OG1 3.48Å; T406-V408 PolarHBondContact O-N 3.05Å; T406-R432 HydrophobicContact CG2-CG 4.32Å | ||
| 407 | I | 49.9 | Very low | 47.1 | Very low | 102 Ų | 102 | 59.7 Ų | 59.7 | 52% | 0.523 | 36% | 0.363 | S | S | . | . | trans | -74.6 | 120.7 | 163.9 | -61.4 | 179.8 | 0 | 0 | 0 | 107.3 | ||||
| 408 | V | 48.1 | Very low | 46.9 | Very low | 27 Ų | 27 | 60 Ų | 60 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | trans | -87.6 | 110.2 | 170.2 | -173.8 | 0 | 0 | 0 | 0 | 107.4 | I366 V400 A402 T406 | I366-V408 HydrophobicContact CD1-CG1 3.82Å; V400-V408 HydrophobicContact CB-CG1 4.4Å; V400-V408 HydrophobicContact CG1-CG1 4Å; V400-V408 HydrophobicContact CG1-CG2 4.34Å; A402-V408 HydrophobicContact CB-CG2 3.32Å; T406-V408 PolarHBondContact O-N 3.05Å | ||
| 409 | S | 47.1 | Very low | 46.2 | Very low | 56 Ų | 56 | 62.6 Ų | 62.6 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.1 | 166.8 | -174.3 | 0 | 0 | 0 | 0 | 107.4 | ||
| 410 | L | 48.3 | Very low | 45.6 | Very low | 9 Ų | 9 | 61.5 Ų | 61.5 | 5% | 0.047 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 113 | 170.1 | -166.8 | 89.9 | 0 | 0 | 0 | 107.2 | I348 L350 I366 L398 L412 L424 V428 | I348-L410 VanDerWaalsContact O-O 3.07Å; L350-L410 HydrophobicContact CB-CB 4.28Å; L350-L410 HydrophobicContact CD1-CD2 4.05Å; L350-L410 PolarHBondContact N-O 3.5Å; L350-L410 PolarHBondContact O-N 3.31Å; I366-L410 HydrophobicContact CD1-CB 4.37Å; L398-L410 HydrophobicContact CD1-CD2 4.48Å; L398-L410 HydrophobicContact CD2-CD2 4.29Å; L410-L412 HydrophobicContact CD2-CD1 4.29Å; L410-L412 HydrophobicContact CD2-CD2 3.84Å; L410-L412 HydrophobicContact CD2-CG 3.9Å; L410-L412 HydrophobicContact CG-CD2 4.48Å; L410-L424 HydrophobicContact CD1-CD2 4.46Å; L410-V428 HydrophobicContact CD1-CG2 4.32Å |
| 411 | T | 41.6 | Very low | 44.6 | Very low | 49 Ų | 49 | 63.9 Ų | 63.9 | 30% | 0.301 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 108.3 | 170.1 | -53.2 | 0 | 0 | 0 | 0 | 107.5 | G413 S427 | T411-G413 PolarHBondContact O-N 2.89Å; T411-S427 WeakPolarHBondContact O-CB 3.4Å |
| 412 | L | 44.8 | Very low | 43.4 | Very low | 49 Ų | 49 | 64.5 Ų | 64.5 | 26% | 0.257 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 95.9 | 168.7 | -65.6 | 168 | 0 | 0 | 0 | 106.9 | I348 L350 L410 L423 | I348-L412 PolarHBondContact O-N 2.96Å; L350-L412 HydrophobicContact CD1-CD1 4.34Å; L410-L412 HydrophobicContact CD2-CD1 4.29Å; L410-L412 HydrophobicContact CD2-CD2 3.84Å; L410-L412 HydrophobicContact CD2-CG 3.9Å; L410-L412 HydrophobicContact CG-CD2 4.48Å; L412-L423 HydrophobicContact CB-CD2 4.16Å; L412-L423 HydrophobicContact CD2-CD2 3.36Å; L412-L423 HydrophobicContact CG-CD2 4.36Å |
| 413 | G | 35.1 | Very low | 42.3 | Very low | 31 Ų | 31 | 65.3 Ų | 65.3 | 32% | 0.32 | 41% | 0.407 | S | S | . | . | trans | -66.8 | 132.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T411 G415 L423 | T411-G413 PolarHBondContact O-N 2.89Å; G413-G415 PolarHBondContact O-N 3.05Å; G413-L423 WeakPolarHBondContact O-CD1 3.24Å | ||
| 414 | G | 31 | Very low | 41.1 | Very low | 43 Ų | 43 | 64.3 Ų | 64.3 | 44% | 0.443 | 40% | 0.403 | S | S | . | . | trans | -77.7 | 37.4 | -175 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 415 | G | 32.5 | Very low | 40.1 | Very low | 56 Ų | 56 | 66.6 Ų | 66.6 | 58% | 0.577 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -79.4 | 150.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G413 A417 | G413-G415 PolarHBondContact O-N 3.05Å; G415-A417 PolarHBondContact O-N 3.38Å |
| 416 | Q | 37 | Very low | 38.7 | Very low | 203 Ų | 203 | 68.6 Ų | 68.6 | 95% | 0.949 | 42% | 0.419 | S | S | * | . | trans | -61.2 | 79.2 | 164.6 | -72.6 | -175.8 | -9.1 | 0 | 0 | 109 | P418 | Q416-P418 WeakPolarHBondContact O-CD 3.33Š| ||
| 417 | A | 34.5 | Very low | 37.8 | Very low | 35 Ų | 35 | 68.5 Ų | 68.5 | 29% | 0.289 | 42% | 0.42 | S | S | . | . | trans | -90.3 | 106.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | G415 N419 L423 | G415-A417 PolarHBondContact O-N 3.38Å; A417-N419 PolarHBondContact O-N 3.11Å; A417-L423 HydrophobicContact CB-CB 3.88Å; A417-L423 HydrophobicContact CB-CD1 3.46Å; A417-L423 VanDerWaalsContact CB-CD1 3.46Å; A417-L423 HydrophobicContact CB-CG 4.15Å | ||
| 418 | P | 35.2 | Very low | 37 | Very low | 123 Ų | 123 | 66.3 Ų | 66.3 | 80% | 0.799 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -64.1 | -3.7 | -178.3 | 25.3 | -34.3 | 0 | 0 | 0 | 113.1 | Q416 | Q416-P418 WeakPolarHBondContact O-CD 3.33Š|
| 419 | N | 39.1 | Very low | 36.7 | Very low | 99 Ų | 99 | 73.5 Ų | 73.5 | 53% | 0.529 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -150.2 | 127.9 | 175 | -142.9 | -26.6 | 0 | 0 | 0 | 110.2 | A417 S421 A422 L423 | A417-N419 PolarHBondContact O-N 3.11Å; N419-S421 PolarHBondContact O-N 2.95Å; N419-S421 VanDerWaalsContact O-N 3.16Å; N419-A422 WeakPolarHBondContact O-CA 3.33Å; N419-A422 VanDerWaalsContact O-CB 3.26Å; N419-A422 WeakPolarHBondContact O-CB 3.42Å; N419-A422 PolarHBondContact O-N 3.44Å; N419-L423 PolarHBondContact O-N 2.65Å |
| 420 | I | 36 | Very low | 36.1 | Very low | 60 Ų | 60 | 79.5 Ų | 79.5 | 31% | 0.308 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64 | -22.5 | 179.7 | -71.1 | 161.8 | 0 | 0 | 0 | 111.4 | F334 A422 L423 L424 | F334-I420 HydrophobicContact CD1-CD1 3.96Å; F334-I420 HydrophobicContact CE1-CB 4.33Å; F334-I420 HydrophobicContact CE1-CD1 3.12Å; F334-I420 HydrophobicContact CE1-CG1 4.28Å; F334-I420 HydrophobicContact CE1-CG2 4.47Å; F334-I420 HydrophobicContact CE2-CB 3.93Å; F334-I420 HydrophobicContact CE2-CD1 4.26Å; F334-I420 HydrophobicContact CE2-CG2 4.07Å; F334-I420 HydrophobicContact CZ-CB 3.59Å; F334-I420 HydrophobicContact CZ-CD1 3.32Å; F334-I420 HydrophobicContact CZ-CG1 4.03Å; F334-I420 HydrophobicContact CZ-CG2 3.53Å; I420-A422 PolarHBondContact O-N 3.43Å; I420-L423 PolarHBondContact O-N 3.46Å; I420-L424 HydrophobicContact CG2-CD1 3.79Å; I420-L424 HydrophobicContact CG2-CG 4.07Å; I420-L424 WeakPolarHBondContact O-CB 3.21Å; I420-L424 WeakPolarHBondContact O-CG 3.4Å; I420-L424 PolarHBondContact O-N 3.01Å |
| 421 | S | 34 | Very low | 35.6 | Very low | 73 Ų | 73 | 88.3 Ų | 88.3 | 51% | 0.51 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -31.1 | 167.6 | -60.7 | 0 | 0 | 0 | 0 | 113.4 | N419 K425 | N419-S421 PolarHBondContact O-N 2.95Å; N419-S421 VanDerWaalsContact O-N 3.16Å; S421-K425 PolarHBondContact O-N 2.69Å |
| 422 | A | 29.4 | Very low | 35.4 | Very low | 50 Ų | 50 | 94.6 Ų | 94.6 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -76.4 | -38.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N419 I420 L424 K425 S426 | N419-A422 WeakPolarHBondContact O-CA 3.33Å; N419-A422 VanDerWaalsContact O-CB 3.26Å; N419-A422 WeakPolarHBondContact O-CB 3.42Å; N419-A422 PolarHBondContact O-N 3.44Å; I420-A422 PolarHBondContact O-N 3.43Å; A422-L424 VanDerWaalsContact C-N 3.35Å; A422-L424 PolarHBondContact O-N 3.36Å; A422-K425 WeakPolarHBondContact O-CB 3.05Å; A422-K425 PolarHBondContact O-N 2.05Å; A422-K425 VanDerWaalsContact O-N 3.16Å; A422-S426 PolarHBondContact O-N 3.46Å; A422-S426 VanDerWaalsContact O-N 3.14Å; A422-S426 PolarHBondContact O-OG 2.88Å |
| 423 | L | 32.2 | Very low | 35 | Very low | 21 Ų | 21 | 97.7 Ų | 97.7 | 11% | 0.11 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -68.1 | -32.9 | 179.4 | -154.6 | 135.5 | 0 | 0 | 0 | 112.4 | L412 G413 A417 N419 I420 S426 S427 | L412-L423 HydrophobicContact CB-CD2 4.16Å; L412-L423 HydrophobicContact CD2-CD2 3.36Å; L412-L423 HydrophobicContact CG-CD2 4.36Å; G413-L423 WeakPolarHBondContact O-CD1 3.24Å; A417-L423 HydrophobicContact CB-CB 3.88Å; A417-L423 HydrophobicContact CB-CD1 3.46Å; A417-L423 VanDerWaalsContact CB-CD1 3.46Å; A417-L423 HydrophobicContact CB-CG 4.15Å; N419-L423 PolarHBondContact O-N 2.65Å; I420-L423 PolarHBondContact O-N 3.46Å; L423-S426 PolarHBondContact O-OG 3.4Å; L423-S427 VanDerWaalsContact O-CB 3.24Å; L423-S427 WeakPolarHBondContact O-CB 3.11Å; L423-S427 PolarHBondContact O-N 3.47Å; L423-S427 VanDerWaalsContact O-N 3.16Å; L423-S427 PolarHBondContact O-OG 3.29Å |
| 424 | L | 36.8 | Very low | 34.8 | Very low | 34 Ų | 34 | 99.8 Ų | 99.8 | 18% | 0.178 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -78.9 | -21.8 | 173.2 | -68.6 | 168 | 0 | 0 | 0 | 113.1 | L330 L410 I420 A422 V428 | L330-L424 HydrophobicContact CB-CD1 3.96Å; L330-L424 HydrophobicContact CD1-CB 3.98Å; L330-L424 HydrophobicContact CD1-CD1 4.01Å; L330-L424 HydrophobicContact CD1-CD2 4.07Å; L330-L424 HydrophobicContact CD1-CG 4.23Å; L330-L424 HydrophobicContact CD2-CD1 4.21Å; L330-L424 HydrophobicContact CG-CD1 4.28Å; L410-L424 HydrophobicContact CD1-CD2 4.46Å; I420-L424 HydrophobicContact CG2-CD1 3.79Å; I420-L424 HydrophobicContact CG2-CG 4.07Å; I420-L424 WeakPolarHBondContact O-CB 3.21Å; I420-L424 WeakPolarHBondContact O-CG 3.4Å; I420-L424 PolarHBondContact O-N 3.01Å; A422-L424 VanDerWaalsContact C-N 3.35Å; A422-L424 PolarHBondContact O-N 3.36Å; L424-V428 WeakPolarHBondContact O-CG2 3.19Å |
| 425 | K | 35.7 | Very low | 34.8 | Very low | 197 Ų | 197 | 112.2 Ų | 112.2 | 86% | 0.857 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -74.8 | -28.7 | 170.5 | -101.8 | -176.4 | 174.6 | -177.1 | 0 | 112.4 | S421 A422 | S421-K425 PolarHBondContact O-N 2.69Å; A422-K425 WeakPolarHBondContact O-CB 3.05Å; A422-K425 PolarHBondContact O-N 2.05Å; A422-K425 VanDerWaalsContact O-N 3.16Å |
| 426 | S | 30.6 | Very low | 34.9 | Very low | 94 Ų | 94 | 115.1 Ų | 115.1 | 66% | 0.657 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -98.5 | -20.2 | -175.7 | 59 | 0 | 0 | 0 | 0 | 115.4 | A422 L423 | A422-S426 PolarHBondContact O-N 3.46Å; A422-S426 VanDerWaalsContact O-N 3.14Å; A422-S426 PolarHBondContact O-OG 2.88Å; L423-S426 PolarHBondContact O-OG 3.4Å |
| 427 | S | 34 | Very low | 34.8 | Very low | 27 Ų | 27 | 110.4 Ų | 110.4 | 19% | 0.189 | 56% | 0.556 | C | S | . | * | trans | -117.1 | 10.7 | -163.3 | -36 | 0 | 0 | 0 | 0 | 116.3 | T411 L423 Q429 | T411-S427 WeakPolarHBondContact O-CB 3.4Å; L423-S427 VanDerWaalsContact O-CB 3.24Å; L423-S427 WeakPolarHBondContact O-CB 3.11Å; L423-S427 PolarHBondContact O-N 3.47Å; L423-S427 VanDerWaalsContact O-N 3.16Å; L423-S427 PolarHBondContact O-OG 3.29Å; S427-Q429 PolarHBondContact O-N 3.19Å | ||
| 428 | V | 34.6 | Very low | 34.8 | Very low | 56 Ų | 56 | 114.6 Ų | 114.6 | 34% | 0.339 | 57% | 0.571 | S | S | . | * | trans | -95.4 | 87.8 | 177.6 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | L410 L424 W430 | L410-V428 HydrophobicContact CD1-CG2 4.32Å; L424-V428 WeakPolarHBondContact O-CG2 3.19Å; V428-W430 HydrophobicContact CG1-CD2 4.39Å; V428-W430 HydrophobicContact CG1-CZ2 4.02Å | ||
| 429 | Q | 40.4 | Very low | 34.8 | Very low | 178 Ų | 178 | 114.1 Ų | 114.1 | 83% | 0.832 | 56% | 0.557 | S | S | * | * | trans | -82.2 | 118.9 | 168.9 | -73.4 | -175.1 | -13.1 | 0 | 0 | 109.9 | S427 R431 | S427-Q429 PolarHBondContact O-N 3.19Å; Q429-R431 PolarHBondContact O-N 3.38Å | ||
| 430 | W | 35.5 | Very low | 34.5 | Very low | 182 Ų | 182 | 115.1 Ų | 115.1 | 69% | 0.689 | 56% | 0.559 | S | S | * | * | trans | -88.9 | 101.8 | 176.1 | -62.1 | 84.7 | 0 | 0 | 0 | 109.2 | V428 | V428-W430 HydrophobicContact CG1-CD2 4.39Å; V428-W430 HydrophobicContact CG1-CZ2 4.02Å | ||
| 431 | R | 37.4 | Very low | 34.4 | Very low | 194 Ų | 194 | 118.7 Ų | 118.7 | 73% | 0.732 | 58% | 0.576 | S | S | * | * | trans | -95.5 | 110.9 | 169.9 | -153 | 173.8 | -170.3 | -170.9 | 3.5 | 109.6 | Q429 Q433 | Q429-R431 PolarHBondContact O-N 3.38Å; R431-Q433 PolarHBondContact O-N 3.41Å | ||
| 432 | R | 36.8 | Very low | 34.4 | Very low | 182 Ų | 182 | 122 Ų | 122 | 69% | 0.687 | 58% | 0.581 | S | S | * | * | trans | -74.6 | 115.7 | 166.3 | -125 | -177.5 | -177 | -167 | 2.9 | 107.6 | Q403 T406 G434 | Q403-R432 VanDerWaalsContact NE2-NH2 3.15Å; T406-R432 HydrophobicContact CG2-CG 4.32Å; R432-G434 PolarHBondContact O-N 3.47Å | ||
| 433 | Q | 37.4 | Very low | 34.8 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 53% | 0.533 | 59% | 0.594 | S | S | . | * | trans | -71.9 | 124.8 | 163.4 | -77.6 | -174.5 | -34.5 | 0 | 0 | 108 | G405 R431 | G405-Q433 WeakPolarHBondContact O-CB 3.45Å; G405-Q433 PolarHBondContact O-OE1 3.23Å; G405-Q433 VanDerWaalsContact O-OE1 3.05Å; R431-Q433 PolarHBondContact O-N 3.41Å | ||
| 434 | G | 31.7 | Very low | 35 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 63% | 0.634 | S | S | * | * | trans | -67.4 | 141.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R432 | R432-G434 PolarHBondContact O-N 3.47Š| ||
| 435 | R | 29.8 | Very low | 34.9 | Very low | 305 Ų | 305 | 145.7 Ų | 145.7 | 100% | 1.151 | 68% | 0.675 | S | S | * | * | -100.4 | 0 | 121.8 | -91.9 | -170.7 | 177.2 | -166.1 | -2.1 | 107.4 |
Retrieved 435 of 435 residues in 327.2 ms
(Link to these results)