| 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 | 48.7 | Very low | 78.5 | Confident | 23 Ų | 23 | 92.6 Ų | 92.6 | 11% | 0.113 | 47% | 0.47 | C | S | . | . | 0 | 91.6 | 0 | -137.6 | -177.1 | -140.2 | 0 | 0 | 110.2 | L3 V6 V19 E22 K44 Y47 I48 | M1-L3 PolarHBondContact O-N 3.06Å; M1-V6 HydrophobicContact CE-CG2 3.08Å; M1-V6 HydrophobicContact CG-CG2 4.03Å; M1-V6 HydrophobicContact SD-CG2 3.6Å; M1-V6 VanDerWaalsContact SD-CG2 3.6Å; M1-V19 HydrophobicContact CE-CG2 3.9Å; M1-E22 WeakPolarHBondContact CA-OE2 3.43Å; M1-E22 HydrophobicContact CB-CG 3.99Å; M1-E22 HydrophobicContact CE-CB 4.3Å; M1-E22 HydrophobicContact CE-CG 4.49Å; M1-E22 HydrophobicContact CG-CG 4.19Å; M1-E22 PolarHBondContact N-OE1 2.68Å; M1-E22 PolarHBondContact N-OE2 2.93Å; M1-K44 HydrophobicContact CB-CD 4.07Å; M1-K44 HydrophobicContact CB-CG 4.04Å; M1-K44 VanDerWaalsContact N-CE 3.34Å; M1-Y47 HydrophobicContact SD-CD1 3.86Å; M1-Y47 HydrophobicContact SD-CE1 4.16Å; M1-I48 HydrophobicContact CE-CD1 4.05Å; M1-I48 HydrophobicContact CE-CG1 3.86Å; M1-I48 HydrophobicContact SD-CD1 4.19Å; M1-I48 HydrophobicContact SD-CG1 3.92Å | |||
| 2 | N | 57.5 | Low | 79.5 | Confident | 117 Ų | 117 | 89.8 Ų | 89.8 | 63% | 0.626 | 47% | 0.471 | S | S | * | . | trans | -65.4 | 119.6 | 151.1 | -71.4 | -28.7 | 0 | 0 | 0 | 104.1 | C4 I5 | N2-C4 HydrophobicContact CB-CB 4.13Å; N2-C4 PolarHBondContact O-N 2.87Å; N2-I5 HydrophobicContact CB-CD1 4.4Å; N2-I5 HydrophobicContact CB-CG1 4.2Å; N2-I5 PolarHBondContact O-N 3.43Å | ||
| 3 | L | 74.6 | Confident | 80.2 | Confident | 87 Ų | 87 | 87.5 Ų | 87.5 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -49 | -26.4 | 175 | -82.1 | 79 | 0 | 0 | 0 | 111.1 | M1 I5 V6 R7 Y47 | M1-L3 PolarHBondContact O-N 3.06Å; L3-I5 PolarHBondContact O-N 3.42Å; L3-V6 PolarHBondContact O-N 3.14Å; L3-R7 WeakPolarHBondContact O-CG 3.19Å; L3-R7 PolarHBondContact O-N 3.49Å; L3-Y47 HydrophobicContact CD2-CD2 3.9Å; L3-Y47 HydrophobicContact CD2-CE1 4.33Å; L3-Y47 HydrophobicContact CD2-CE2 3.41Å; L3-Y47 VanDerWaalsContact CD2-CE2 3.41Å; L3-Y47 HydrophobicContact CG-CD1 4.34Å; L3-Y47 HydrophobicContact CG-CD2 4.33Å; L3-Y47 HydrophobicContact CG-CE1 3.97Å; L3-Y47 HydrophobicContact CG-CE2 3.97Å |
| 4 | C | 77.8 | Confident | 80.8 | Confident | 92 Ų | 92 | 87.3 Ų | 87.3 | 62% | 0.622 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -50.9 | -33.8 | 169.7 | -53.7 | 0 | 0 | 0 | 0 | 114.9 | N2 A8 | N2-C4 HydrophobicContact CB-CB 4.13Å; N2-C4 PolarHBondContact O-N 2.87Å; C4-A8 VanDerWaalsContact O-CB 3.24Å; C4-A8 WeakPolarHBondContact O-CB 3.36Å; C4-A8 PolarHBondContact O-N 3.15Å |
| 5 | I | 79.4 | Confident | 81.4 | Confident | 81 Ų | 81 | 84.9 Ų | 84.9 | 42% | 0.415 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72.9 | -43 | 179.9 | -55.1 | 172.3 | 0 | 0 | 0 | 110.4 | N2 L3 R7 A8 A9 V18 | N2-I5 HydrophobicContact CB-CD1 4.4Å; N2-I5 HydrophobicContact CB-CG1 4.2Å; N2-I5 PolarHBondContact O-N 3.43Å; L3-I5 PolarHBondContact O-N 3.42Å; I5-R7 VanDerWaalsContact C-N 3.34Å; I5-A8 PolarHBondContact O-N 3.27Å; I5-A9 PolarHBondContact O-N 2.76Å; I5-V18 HydrophobicContact CB-CG1 4.37Å; I5-V18 HydrophobicContact CG2-CG1 3.56Å; I5-V18 HydrophobicContact CG2-CG2 4.19Å |
| 6 | V | 85.7 | Confident | 82.1 | Confident | 10 Ų | 10 | 88.9 Ų | 88.9 | 6% | 0.061 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 174.2 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | M1 L3 A8 A9 E15 V18 Y47 L51 | M1-V6 HydrophobicContact CE-CG2 3.08Å; M1-V6 HydrophobicContact CG-CG2 4.03Å; M1-V6 HydrophobicContact SD-CG2 3.6Å; M1-V6 VanDerWaalsContact SD-CG2 3.6Å; L3-V6 PolarHBondContact O-N 3.14Å; V6-A8 PolarHBondContact O-N 3.07Å; V6-A9 VanDerWaalsContact O-CB 3.32Å; V6-A9 WeakPolarHBondContact O-CB 3.38Å; V6-A9 PolarHBondContact O-N 2.99Å; V6-A9 VanDerWaalsContact O-N 3.1Å; V6-E15 HydrophobicContact CG1-CG 3.92Å; V6-V18 HydrophobicContact CG2-CG1 4.44Å; V6-Y47 HydrophobicContact CG2-CE1 4.25Å; V6-L51 HydrophobicContact CG1-CD1 3.8Å |
| 7 | R | 87.5 | Confident | 82.6 | Confident | 210 Ų | 210 | 88.9 Ų | 88.9 | 79% | 0.792 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.2 | -18.2 | 176.8 | -67.7 | 179.4 | 68.4 | 179.3 | 2.3 | 113.9 | L3 I5 | L3-R7 WeakPolarHBondContact O-CG 3.19Å; L3-R7 PolarHBondContact O-N 3.49Å; I5-R7 VanDerWaalsContact C-N 3.34Å |
| 8 | A | 87.6 | Confident | 83.1 | Confident | 65 Ų | 65 | 85.8 Ų | 85.8 | 54% | 0.537 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -85.2 | -14.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C4 I5 V6 R10 | C4-A8 VanDerWaalsContact O-CB 3.24Å; C4-A8 WeakPolarHBondContact O-CB 3.36Å; C4-A8 PolarHBondContact O-N 3.15Å; I5-A8 PolarHBondContact O-N 3.27Å; V6-A8 PolarHBondContact O-N 3.07Å; A8-R10 PolarHBondContact O-N 3.14Å |
| 9 | A | 86.3 | Confident | 83.6 | Confident | 23 Ų | 23 | 81.3 Ų | 81.3 | 19% | 0.19 | 43% | 0.426 | C | S | . | . | trans | -65 | 128.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I5 V6 E14 E15 | I5-A9 PolarHBondContact O-N 2.76Å; V6-A9 VanDerWaalsContact O-CB 3.32Å; V6-A9 WeakPolarHBondContact O-CB 3.38Å; V6-A9 PolarHBondContact O-N 2.99Å; V6-A9 VanDerWaalsContact O-N 3.1Å; A9-E14 HydrophobicContact CB-CB 4.16Å; A9-E14 HydrophobicContact CB-CG 3.98Å; A9-E15 HydrophobicContact CB-CB 3.92Å | ||
| 10 | R | 88.5 | Confident | 84 | Confident | 232 Ų | 232 | 83.7 Ų | 83.7 | 88% | 0.875 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -90.1 | -17.6 | -178.1 | -61.5 | -179.3 | -178.9 | -176.8 | 0.1 | 112.7 | A8 E14 | A8-R10 PolarHBondContact O-N 3.14Å; R10-E14 PolarHBondContact N-OE2 3.11Å |
| 11 | T | 90 | Very high | 84.4 | Confident | 79 Ų | 79 | 87.1 Ų | 87.1 | 49% | 0.485 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -135.6 | 151.8 | -177.3 | 67.6 | 0 | 0 | 0 | 0 | 110.7 | A13 E14 E15 | T11-A13 PolarHBondContact O-N 3.42Å; T11-E14 PolarHBondContact O-N 3.5Å; T11-E14 VanDerWaalsContact O-N 3.15Å; T11-E14 WeakPolarHBondContact OG1-CB 3.38Å; T11-E14 PolarHBondContact OG1-N 3.06Å; T11-E14 VanDerWaalsContact OG1-N 3.15Å; T11-E15 PolarHBondContact O-N 3.21Å |
| 12 | A | 89.8 | Confident | 86.3 | Confident | 58 Ų | 58 | 87.5 Ų | 87.5 | 48% | 0.479 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.7 | -27.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | R16 | A12-R16 WeakPolarHBondContact O-CB 3.4Å; A12-R16 WeakPolarHBondContact O-CD 3.27Å; A12-R16 WeakPolarHBondContact O-CG 3.42Å; A12-R16 PolarHBondContact O-N 3.35Å |
| 13 | A | 88.5 | Confident | 88 | Confident | 61 Ų | 61 | 82.3 Ų | 82.3 | 50% | 0.504 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72.1 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T11 R16 T17 | T11-A13 PolarHBondContact O-N 3.42Å; A13-R16 PolarHBondContact O-N 3.05Å; A13-T17 PolarHBondContact O-N 3.36Å; A13-T17 PolarHBondContact O-OG1 3.31Å |
| 14 | E | 88.8 | Confident | 88.8 | Confident | 84 Ų | 84 | 79.8 Ų | 79.8 | 39% | 0.393 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 173.1 | -174.7 | 178.4 | -169.9 | 0 | 0 | 110.9 | A9 R10 T11 R16 T17 V18 | A9-E14 HydrophobicContact CB-CB 4.16Å; A9-E14 HydrophobicContact CB-CG 3.98Å; R10-E14 PolarHBondContact N-OE2 3.11Å; T11-E14 PolarHBondContact O-N 3.5Å; T11-E14 VanDerWaalsContact O-N 3.15Å; T11-E14 WeakPolarHBondContact OG1-CB 3.38Å; T11-E14 PolarHBondContact OG1-N 3.06Å; T11-E14 VanDerWaalsContact OG1-N 3.15Å; E14-R16 PolarHBondContact O-N 2.91Å; E14-T17 WeakPolarHBondContact O-CB 3.48Å; E14-T17 PolarHBondContact O-N 3.1Å; E14-T17 VanDerWaalsContact O-N 3.13Å; E14-V18 WeakPolarHBondContact O-CG2 3.25Å; E14-V18 PolarHBondContact O-N 3.43Å |
| 15 | E | 90.5 | Very high | 89.4 | Confident | 52 Ų | 52 | 78.5 Ų | 78.5 | 24% | 0.243 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -57 | -49.6 | 174.3 | -170.8 | -173.4 | 156.3 | 0 | 0 | 111.4 | V6 A9 T11 T17 V18 V19 | V6-E15 HydrophobicContact CG1-CG 3.92Å; A9-E15 HydrophobicContact CB-CB 3.92Å; T11-E15 PolarHBondContact O-N 3.21Å; E15-T17 VanDerWaalsContact C-N 3.27Å; E15-T17 PolarHBondContact O-N 3.03Å; E15-V18 PolarHBondContact O-N 2.93Å; E15-V19 HydrophobicContact CG-CG2 4.38Å; E15-V19 WeakPolarHBondContact O-CB 3.42Å; E15-V19 VanDerWaalsContact O-CG2 3.26Å; E15-V19 WeakPolarHBondContact O-CG2 3.27Å; E15-V19 PolarHBondContact O-N 2.72Å |
| 16 | R | 92.7 | Very high | 89.9 | Confident | 148 Ų | 148 | 74.6 Ų | 74.6 | 56% | 0.558 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -54.7 | -42.3 | 174.9 | -74.9 | 168.3 | -175.3 | 174.8 | 4.1 | 112.1 | A12 A13 E14 V19 Q20 Y53 | A12-R16 WeakPolarHBondContact O-CB 3.4Å; A12-R16 WeakPolarHBondContact O-CD 3.27Å; A12-R16 WeakPolarHBondContact O-CG 3.42Å; A12-R16 PolarHBondContact O-N 3.35Å; A13-R16 PolarHBondContact O-N 3.05Å; E14-R16 PolarHBondContact O-N 2.91Å; R16-V19 PolarHBondContact O-N 2.96Å; R16-Q20 WeakPolarHBondContact O-CB 3.21Å; R16-Q20 WeakPolarHBondContact O-CG 3.05Å; R16-Q20 PolarHBondContact O-N 2.87Å; R16-Y53 WeakPolarHBondContact CA-OH 3.46Å; R16-Y53 HydrophobicContact CB-CE1 4.43Å; R16-Y53 HydrophobicContact CG-CE1 3.8Å; R16-Y53 VanDerWaalsContact CG-OH 3.28Å; R16-Y53 WeakPolarHBondContact CG-OH 3.38Å; R16-Y53 PolarHBondContact N-OH 3.22Å |
| 17 | T | 90.9 | Very high | 90.2 | Very high | 90 Ų | 90 | 79.1 Ų | 79.1 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.1 | -43.8 | -179.1 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | A13 E14 E15 K21 | A13-T17 PolarHBondContact O-N 3.36Å; A13-T17 PolarHBondContact O-OG1 3.31Å; E14-T17 WeakPolarHBondContact O-CB 3.48Å; E14-T17 PolarHBondContact O-N 3.1Å; E14-T17 VanDerWaalsContact O-N 3.13Å; E15-T17 VanDerWaalsContact C-N 3.27Å; E15-T17 PolarHBondContact O-N 3.03Å; T17-K21 WeakPolarHBondContact O-CB 3.41Å; T17-K21 PolarHBondContact O-N 3.19Å |
| 18 | V | 90.4 | Very high | 90.3 | Very high | 32 Ų | 32 | 74.8 Ų | 74.8 | 19% | 0.194 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 175.6 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | I5 V6 E14 E15 K21 E22 | I5-V18 HydrophobicContact CB-CG1 4.37Å; I5-V18 HydrophobicContact CG2-CG1 3.56Å; I5-V18 HydrophobicContact CG2-CG2 4.19Å; V6-V18 HydrophobicContact CG2-CG1 4.44Å; E14-V18 WeakPolarHBondContact O-CG2 3.25Å; E14-V18 PolarHBondContact O-N 3.43Å; E15-V18 PolarHBondContact O-N 2.93Å; V18-K21 PolarHBondContact O-N 3.23Å; V18-E22 PolarHBondContact O-N 2.83Å |
| 19 | V | 92.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 179.1 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | M1 E15 R16 K21 E22 C23 I48 Y53 | M1-V19 HydrophobicContact CE-CG2 3.9Å; E15-V19 HydrophobicContact CG-CG2 4.38Å; E15-V19 WeakPolarHBondContact O-CB 3.42Å; E15-V19 VanDerWaalsContact O-CG2 3.26Å; E15-V19 WeakPolarHBondContact O-CG2 3.27Å; E15-V19 PolarHBondContact O-N 2.72Å; R16-V19 PolarHBondContact O-N 2.96Å; V19-K21 VanDerWaalsContact C-N 3.31Å; V19-K21 PolarHBondContact O-N 3.5Å; V19-E22 PolarHBondContact O-N 3.31Å; V19-C23 WeakPolarHBondContact O-CB 3.32Å; V19-C23 PolarHBondContact O-N 3.39Å; V19-C23 PolarHBondContact O-SG 3.18Å; V19-I48 HydrophobicContact CG1-CG1 4.34Å; V19-I48 HydrophobicContact CG1-CG2 3.61Å; V19-Y53 HydrophobicContact CB-CD2 4.48Å; V19-Y53 HydrophobicContact CB-CE1 4.29Å; V19-Y53 HydrophobicContact CB-CE2 4.24Å; V19-Y53 HydrophobicContact CG1-CD1 3.86Å; V19-Y53 HydrophobicContact CG1-CD2 3.83Å; V19-Y53 HydrophobicContact CG1-CE1 4.08Å; V19-Y53 HydrophobicContact CG1-CE2 4.09Å; V19-Y53 HydrophobicContact CG1-CG 3.71Å; V19-Y53 HydrophobicContact CG2-CD2 4.18Å; V19-Y53 HydrophobicContact CG2-CE2 3.73Å |
| 20 | Q | 91.7 | Very high | 90.5 | Very high | 128 Ų | 128 | 72.7 Ų | 72.7 | 60% | 0.598 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.6 | -41.8 | 177.4 | -77.1 | 176.3 | -4.3 | 0 | 0 | 112.2 | R16 C23 A24 | R16-Q20 WeakPolarHBondContact O-CB 3.21Å; R16-Q20 WeakPolarHBondContact O-CG 3.05Å; R16-Q20 PolarHBondContact O-N 2.87Å; Q20-C23 PolarHBondContact O-N 3.44Å; Q20-A24 WeakPolarHBondContact O-CB 3.35Å; Q20-A24 PolarHBondContact O-N 3.48Å |
| 21 | K | 91.9 | Very high | 90.4 | Very high | 157 Ų | 157 | 71.7 Ų | 71.7 | 68% | 0.683 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.8 | -47.8 | 176.5 | -175.1 | 177.3 | -179.8 | 177.4 | 0 | 111.6 | T17 V18 V19 A24 T25 | T17-K21 WeakPolarHBondContact O-CB 3.41Å; T17-K21 PolarHBondContact O-N 3.19Å; V18-K21 PolarHBondContact O-N 3.23Å; V19-K21 VanDerWaalsContact C-N 3.31Å; V19-K21 PolarHBondContact O-N 3.5Å; K21-A24 WeakPolarHBondContact O-CB 3.49Å; K21-A24 PolarHBondContact O-N 3.48Å; K21-T25 PolarHBondContact O-N 2.92Å; K21-T25 PolarHBondContact O-OG1 3.37Å |
| 22 | E | 90 | Very high | 90.1 | Very high | 31 Ų | 31 | 73.8 Ų | 73.8 | 15% | 0.145 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 177.8 | -173 | 82 | -162.4 | 0 | 0 | 111.7 | M1 V18 V19 A24 T25 I26 K44 I48 | M1-E22 WeakPolarHBondContact CA-OE2 3.43Å; M1-E22 HydrophobicContact CB-CG 3.99Å; M1-E22 HydrophobicContact CE-CB 4.3Å; M1-E22 HydrophobicContact CE-CG 4.49Å; M1-E22 HydrophobicContact CG-CG 4.19Å; M1-E22 PolarHBondContact N-OE1 2.68Å; M1-E22 PolarHBondContact N-OE2 2.93Å; V18-E22 PolarHBondContact O-N 2.83Å; V19-E22 PolarHBondContact O-N 3.31Å; E22-A24 VanDerWaalsContact C-N 3.27Å; E22-A24 PolarHBondContact O-N 3.27Å; E22-T25 PolarHBondContact O-N 3.16Å; E22-I26 HydrophobicContact CG-CD1 4.03Å; E22-I26 HydrophobicContact CG-CG1 4.45Å; E22-I26 VanDerWaalsContact O-CG1 3.31Å; E22-I26 WeakPolarHBondContact O-CG1 3.45Å; E22-I26 PolarHBondContact O-N 2.89Å; E22-K44 VanDerWaalsContact OE1-CD 3.27Å; E22-K44 WeakPolarHBondContact OE1-CD 3.21Å; E22-K44 WeakPolarHBondContact OE1-CE 3.25Å; E22-K44 IonicContact OE1-NZ 3.95Å; E22-K44 PolarHBondContact OE1-NZ 3.34Å; E22-I48 HydrophobicContact CG-CD1 4.38Å |
| 23 | C | 92 | Very high | 89.1 | Confident | 8 Ų | 8 | 78.1 Ų | 78.1 | 5% | 0.054 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.2 | -38.3 | 174.4 | -76.3 | 0 | 0 | 0 | 0 | 112.1 | V19 Q20 I26 R27 | V19-C23 WeakPolarHBondContact O-CB 3.32Å; V19-C23 PolarHBondContact O-N 3.39Å; V19-C23 PolarHBondContact O-SG 3.18Å; Q20-C23 PolarHBondContact O-N 3.44Å; C23-I26 PolarHBondContact O-N 3.31Å; C23-R27 WeakPolarHBondContact O-CG 3.1Å; C23-R27 PolarHBondContact O-N 2.99Å |
| 24 | A | 91.4 | Very high | 88.1 | Confident | 33 Ų | 33 | 82.2 Ų | 82.2 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q20 K21 E22 I26 R27 E28 | Q20-A24 WeakPolarHBondContact O-CB 3.35Å; Q20-A24 PolarHBondContact O-N 3.48Å; K21-A24 WeakPolarHBondContact O-CB 3.49Å; K21-A24 PolarHBondContact O-N 3.48Å; E22-A24 VanDerWaalsContact C-N 3.27Å; E22-A24 PolarHBondContact O-N 3.27Å; A24-I26 VanDerWaalsContact C-N 3.33Å; A24-I26 PolarHBondContact O-N 3.45Å; A24-R27 PolarHBondContact O-N 3.35Å; A24-E28 WeakPolarHBondContact O-CG 3.38Å; A24-E28 PolarHBondContact O-N 2.76Å |
| 25 | T | 90.2 | Very high | 87 | Confident | 65 Ų | 65 | 78.7 Ų | 78.7 | 40% | 0.399 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 175.2 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | K21 E22 E28 T29 | K21-T25 PolarHBondContact O-N 2.92Å; K21-T25 PolarHBondContact O-OG1 3.37Å; E22-T25 PolarHBondContact O-N 3.16Å; T25-E28 PolarHBondContact O-N 2.76Å; T25-T29 PolarHBondContact O-N 3.13Å; T25-T29 PolarHBondContact O-OG1 3Å |
| 26 | I | 91.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 177.4 | -68.9 | 168.1 | 0 | 0 | 0 | 110.6 | E22 C23 A24 E28 T29 F30 N41 K44 I48 F57 | E22-I26 HydrophobicContact CG-CD1 4.03Å; E22-I26 HydrophobicContact CG-CG1 4.45Å; E22-I26 VanDerWaalsContact O-CG1 3.31Å; E22-I26 WeakPolarHBondContact O-CG1 3.45Å; E22-I26 PolarHBondContact O-N 2.89Å; C23-I26 PolarHBondContact O-N 3.31Å; A24-I26 VanDerWaalsContact C-N 3.33Å; A24-I26 PolarHBondContact O-N 3.45Å; I26-E28 VanDerWaalsContact C-N 3.34Å; I26-E28 PolarHBondContact O-N 3.46Å; I26-T29 PolarHBondContact O-N 3.29Å; I26-F30 HydrophobicContact CG2-CD1 4.48Å; I26-F30 HydrophobicContact CG2-CD2 3.83Å; I26-F30 HydrophobicContact CG2-CE1 4.1Å; I26-F30 HydrophobicContact CG2-CE2 3.39Å; I26-F30 HydrophobicContact CG2-CG 4.36Å; I26-F30 HydrophobicContact CG2-CZ 3.53Å; I26-F30 WeakPolarHBondContact O-CG 3.31Å; I26-F30 PolarHBondContact O-N 3.23Å; I26-N41 HydrophobicContact CG1-CB 4.44Å; I26-N41 HydrophobicContact CG2-CB 4.26Å; I26-K44 HydrophobicContact CD1-CB 3.99Å; I26-K44 HydrophobicContact CD1-CD 4.42Å; I26-I48 HydrophobicContact CD1-CD1 4.08Å; I26-F57 HydrophobicContact CG2-CE2 3.96Å; I26-F57 HydrophobicContact CG2-CZ 4.43Å |
| 27 | R | 90.7 | Very high | 86.1 | Confident | 105 Ų | 105 | 83.6 Ų | 83.6 | 40% | 0.396 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 177.2 | -76.9 | -173.7 | -64.6 | -99 | 2.2 | 112.4 | C23 A24 F30 R31 F57 | C23-R27 WeakPolarHBondContact O-CG 3.1Å; C23-R27 PolarHBondContact O-N 2.99Å; A24-R27 PolarHBondContact O-N 3.35Å; R27-F30 PolarHBondContact O-N 3.49Å; R27-R31 WeakPolarHBondContact O-CG 3.24Å; R27-R31 PolarHBondContact O-N 3.1Å; R27-F57 HydrophobicContact CG-CD1 4.33Å; R27-F57 HydrophobicContact CG-CD2 3.58Å; R27-F57 HydrophobicContact CG-CE1 4.19Å; R27-F57 HydrophobicContact CG-CE2 3.4Å; R27-F57 HydrophobicContact CG-CG 4.05Å; R27-F57 HydrophobicContact CG-CZ 3.72Å |
| 28 | E | 89.5 | Confident | 86 | Confident | 119 Ų | 119 | 81.3 Ų | 81.3 | 56% | 0.556 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.3 | -46.7 | 175.1 | -73 | 167.7 | -176.9 | 0 | 0 | 110.9 | A24 T25 I26 F30 R31 | A24-E28 WeakPolarHBondContact O-CG 3.38Å; A24-E28 PolarHBondContact O-N 2.76Å; T25-E28 PolarHBondContact O-N 2.76Å; I26-E28 VanDerWaalsContact C-N 3.34Å; I26-E28 PolarHBondContact O-N 3.46Å; E28-F30 VanDerWaalsContact C-N 3.32Å; E28-F30 PolarHBondContact O-N 2.79Å; E28-R31 WeakPolarHBondContact O-CB 3.34Å; E28-R31 PolarHBondContact O-N 2.64Å; E28-R31 VanDerWaalsContact O-N 3.15Å |
| 29 | T | 88.9 | Confident | 86.1 | Confident | 25 Ų | 25 | 80.9 Ų | 80.9 | 15% | 0.153 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.4 | -32.6 | 178.1 | -48.9 | 0 | 0 | 0 | 0 | 112.9 | T25 I26 R31 E32 S35 N41 | T25-T29 PolarHBondContact O-N 3.13Å; T25-T29 PolarHBondContact O-OG1 3Å; I26-T29 PolarHBondContact O-N 3.29Å; T29-R31 PolarHBondContact O-N 2.9Å; T29-E32 WeakPolarHBondContact O-CB 3.12Å; T29-E32 PolarHBondContact O-N 3.28Å; T29-S35 WeakPolarHBondContact CG2-OG 3.49Å; T29-N41 WeakPolarHBondContact CB-ND2 3.21Å; T29-N41 WeakPolarHBondContact CG2-ND2 3.35Å |
| 30 | F | 89.5 | Confident | 86 | Confident | 19 Ų | 19 | 86.9 Ų | 86.9 | 8% | 0.083 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70.7 | -18.2 | 176.6 | -71.5 | -18.2 | 0 | 0 | 0 | 113.7 | I26 R27 E28 N41 V42 L45 F57 E61 | I26-F30 HydrophobicContact CG2-CD1 4.48Å; I26-F30 HydrophobicContact CG2-CD2 3.83Å; I26-F30 HydrophobicContact CG2-CE1 4.1Å; I26-F30 HydrophobicContact CG2-CE2 3.39Å; I26-F30 HydrophobicContact CG2-CG 4.36Å; I26-F30 HydrophobicContact CG2-CZ 3.53Å; I26-F30 WeakPolarHBondContact O-CG 3.31Å; I26-F30 PolarHBondContact O-N 3.23Å; R27-F30 PolarHBondContact O-N 3.49Å; E28-F30 VanDerWaalsContact C-N 3.32Å; E28-F30 PolarHBondContact O-N 2.79Å; F30-N41 HydrophobicContact CE1-CB 3.69Å; F30-N41 HydrophobicContact CZ-CB 4.12Å; F30-V42 HydrophobicContact CE1-CG2 4.09Å; F30-V42 HydrophobicContact CZ-CG2 3.71Å; F30-L45 HydrophobicContact CE2-CD2 4.07Å; F30-F57 HydrophobicContact CD2-CD2 4.03Å; F30-F57 AromaticContact CD2-CE2 3.99Å; F30-F57 HydrophobicContact CD2-CE2 3.99Å; F30-F57 HydrophobicContact CE2-CD2 4.2Å; F30-F57 AromaticContact CE2-CE2 3.94Å; F30-F57 HydrophobicContact CE2-CE2 3.94Å; F30-E61 HydrophobicContact CB-CG 4.19Å; F30-E61 HydrophobicContact CD1-CG 3.85Å; F30-E61 HydrophobicContact CD2-CG 3.74Å; F30-E61 HydrophobicContact CE1-CB 4.24Å; F30-E61 HydrophobicContact CE1-CG 4.05Å; F30-E61 HydrophobicContact CE2-CB 4.24Å; F30-E61 HydrophobicContact CE2-CG 3.94Å; F30-E61 HydrophobicContact CG-CG 3.69Å; F30-E61 HydrophobicContact CZ-CB 4.1Å; F30-E61 HydrophobicContact CZ-CG 4.1Å |
| 31 | R | 87 | Confident | 86 | Confident | 211 Ų | 211 | 81 Ų | 81 | 80% | 0.796 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -19.9 | 171.4 | -67.7 | 172.4 | 177.5 | -176.7 | -2.5 | 112.2 | R27 E28 T29 E33 | R27-R31 WeakPolarHBondContact O-CG 3.24Å; R27-R31 PolarHBondContact O-N 3.1Å; E28-R31 WeakPolarHBondContact O-CB 3.34Å; E28-R31 PolarHBondContact O-N 2.64Å; E28-R31 VanDerWaalsContact O-N 3.15Å; T29-R31 PolarHBondContact O-N 2.9Å; R31-E33 PolarHBondContact O-N 3.09Å |
| 32 | E | 84.6 | Confident | 86.1 | Confident | 123 Ų | 123 | 73.5 Ų | 73.5 | 58% | 0.575 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -82.5 | 109.7 | 173.1 | -60.4 | 173.4 | 178.7 | 0 | 0 | 109.4 | T29 D34 | T29-E32 WeakPolarHBondContact O-CB 3.12Å; T29-E32 PolarHBondContact O-N 3.28Å; E32-D34 PolarHBondContact O-N 3.41Å; E32-D34 VanDerWaalsContact O-N 3.17Å |
| 33 | E | 68.3 | Low | 86.2 | Confident | 149 Ų | 149 | 74.2 Ų | 74.2 | 70% | 0.696 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.4 | -175 | -79.1 | -83.5 | 128.2 | 0 | 0 | 113.8 | R31 R38 K64 | R31-E33 PolarHBondContact O-N 3.09Å; E33-R38 PolarHBondContact O-NH2 3.14Å; E33-K64 IonicContact OE1-NZ 3.83Å |
| 34 | D | 66.3 | Low | 86.1 | Confident | 147 Ų | 147 | 75.3 Ų | 75.3 | 79% | 0.786 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 49 | -175.6 | -157.9 | 9.2 | 0 | 0 | 0 | 113.7 | E32 Q36 | E32-D34 PolarHBondContact O-N 3.41Å; E32-D34 VanDerWaalsContact O-N 3.17Å; D34-Q36 PolarHBondContact O-N 3.24Å |
| 35 | S | 65.9 | Low | 86.2 | Confident | 9 Ų | 9 | 73.7 Ų | 73.7 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | trans | -77.7 | 107.5 | 179.5 | -167.1 | 0 | 0 | 0 | 0 | 112.6 | T29 W37 R38 | T29-S35 WeakPolarHBondContact CG2-OG 3.49Å; S35-W37 PolarHBondContact O-N 3.27Å; S35-W37 PolarHBondContact OG-N 3.2Å; S35-R38 WeakPolarHBondContact O-CB 3.44Å; S35-R38 PolarHBondContact O-N 2.71Å | ||
| 36 | Q | 80.3 | Confident | 86.3 | Confident | 166 Ų | 166 | 71.2 Ų | 71.2 | 78% | 0.776 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -22.2 | 166.3 | -64.8 | -178.2 | 2.2 | 0 | 0 | 112.8 | D34 | D34-Q36 PolarHBondContact O-N 3.24Š|
| 37 | W | 85.3 | Confident | 86.3 | Confident | 137 Ų | 137 | 73.4 Ų | 73.4 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3.8 | -177.2 | -55 | 106.8 | 0 | 0 | 0 | 114.1 | S35 C39 R40 N41 | S35-W37 PolarHBondContact O-N 3.27Å; S35-W37 PolarHBondContact OG-N 3.2Å; W37-C39 VanDerWaalsContact C-N 3.34Å; W37-C39 PolarHBondContact O-N 3.26Å; W37-R40 PolarHBondContact O-N 2.63Å; W37-R40 VanDerWaalsContact O-N 3.11Å; W37-N41 WeakPolarHBondContact O-CB 3.19Å; W37-N41 PolarHBondContact O-N 2.95Å |
| 38 | R | 89.2 | Confident | 86.4 | Confident | 42 Ų | 42 | 68.4 Ų | 68.4 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -51.3 | -50.1 | -178.2 | -175 | -177.4 | -69.9 | 112.7 | 8.4 | 112.4 | E33 S35 R40 N41 V42 E61 L65 | E33-R38 PolarHBondContact O-NH2 3.14Å; S35-R38 WeakPolarHBondContact O-CB 3.44Å; S35-R38 PolarHBondContact O-N 2.71Å; R38-R40 VanDerWaalsContact C-N 3.34Å; R38-R40 PolarHBondContact O-N 3.01Å; R38-N41 PolarHBondContact O-N 3.36Å; R38-N41 VanDerWaalsContact O-N 3.15Å; R38-V42 HydrophobicContact CG-CG2 4.42Å; R38-V42 WeakPolarHBondContact O-CG2 3.47Å; R38-V42 PolarHBondContact O-N 3.15Å; R38-E61 WeakPolarHBondContact CD-OE2 3.42Å; R38-E61 IonicContact CZ-OE2 2.8Å; R38-E61 IonicContact NE-OE2 3.59Å; R38-E61 PolarHBondContact NE-OE2 3.4Å; R38-L65 HydrophobicContact CB-CD2 4.2Å; R38-L65 HydrophobicContact CG-CD1 4.43Å; R38-L65 HydrophobicContact CG-CD2 3.78Å; R38-L65 HydrophobicContact CG-CG 3.99Å |
| 39 | C | 91.1 | Very high | 86.5 | Confident | 24 Ų | 24 | 65 Ų | 65 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 179.8 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | W37 A43 L65 D73 | W37-C39 VanDerWaalsContact C-N 3.34Å; W37-C39 PolarHBondContact O-N 3.26Å; C39-A43 WeakPolarHBondContact O-CB 3.39Å; C39-A43 PolarHBondContact O-N 2.79Å; C39-L65 HydrophobicContact CB-CD2 4.08Å; C39-D73 WeakPolarHBondContact CB-OD1 3.1Å |
| 40 | R | 91.3 | Very high | 86.7 | Confident | 126 Ų | 126 | 68.8 Ų | 68.8 | 48% | 0.475 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 176.9 | -174.4 | 179.9 | 68.2 | 161.4 | -5.2 | 112 | W37 R38 A43 K44 | W37-R40 PolarHBondContact O-N 2.63Å; W37-R40 VanDerWaalsContact O-N 3.11Å; R38-R40 VanDerWaalsContact C-N 3.34Å; R38-R40 PolarHBondContact O-N 3.01Å; R40-A43 PolarHBondContact O-N 2.9Å; R40-K44 WeakPolarHBondContact O-CG 3.32Å; R40-K44 PolarHBondContact O-N 3.28Å |
| 41 | N | 91.5 | Very high | 86.8 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.027 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.7 | -40.4 | -178 | -76.9 | -11.2 | 0 | 0 | 0 | 112.2 | I26 T29 F30 W37 R38 K44 L45 | I26-N41 HydrophobicContact CG1-CB 4.44Å; I26-N41 HydrophobicContact CG2-CB 4.26Å; T29-N41 WeakPolarHBondContact CB-ND2 3.21Å; T29-N41 WeakPolarHBondContact CG2-ND2 3.35Å; F30-N41 HydrophobicContact CE1-CB 3.69Å; F30-N41 HydrophobicContact CZ-CB 4.12Å; W37-N41 WeakPolarHBondContact O-CB 3.19Å; W37-N41 PolarHBondContact O-N 2.95Å; R38-N41 PolarHBondContact O-N 3.36Å; R38-N41 VanDerWaalsContact O-N 3.15Å; N41-K44 PolarHBondContact O-N 3.42Å; N41-K44 PolarHBondContact OD1-NZ 2.86Å; N41-L45 WeakPolarHBondContact O-CB 3.47Å; N41-L45 PolarHBondContact O-N 3.48Å |
| 42 | V | 92.7 | Very high | 87 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 170.4 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | F30 R38 K44 L45 L46 E61 L65 V76 | F30-V42 HydrophobicContact CE1-CG2 4.09Å; F30-V42 HydrophobicContact CZ-CG2 3.71Å; R38-V42 HydrophobicContact CG-CG2 4.42Å; R38-V42 WeakPolarHBondContact O-CG2 3.47Å; R38-V42 PolarHBondContact O-N 3.15Å; V42-K44 VanDerWaalsContact C-N 3.33Å; V42-K44 PolarHBondContact O-N 3.13Å; V42-L45 CarbonylContact O-C 3.45Å; V42-L45 WeakPolarHBondContact O-CA 3.47Å; V42-L45 WeakPolarHBondContact O-CB 3.36Å; V42-L45 PolarHBondContact O-N 3.39Å; V42-L46 HydrophobicContact CG1-CD1 4.33Å; V42-L46 HydrophobicContact CG1-CG 4.29Å; V42-L46 WeakPolarHBondContact O-CG 3.29Å; V42-L46 PolarHBondContact O-N 2.91Å; V42-E61 HydrophobicContact CG2-CB 3.99Å; V42-L65 HydrophobicContact CB-CD1 3.66Å; V42-L65 HydrophobicContact CG1-CD1 3.91Å; V42-L65 HydrophobicContact CG2-CD1 3.6Å; V42-V76 HydrophobicContact CB-CG1 4.34Å; V42-V76 HydrophobicContact CG1-CG1 4.02Å |
| 43 | A | 92.1 | Very high | 87.4 | Confident | 45 Ų | 45 | 59.7 Ų | 59.7 | 37% | 0.372 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C39 R40 L45 L46 Y47 V76 | C39-A43 WeakPolarHBondContact O-CB 3.39Å; C39-A43 PolarHBondContact O-N 2.79Å; R40-A43 PolarHBondContact O-N 2.9Å; A43-L45 VanDerWaalsContact C-N 3.34Å; A43-L46 PolarHBondContact O-N 3.04Å; A43-Y47 PolarHBondContact O-N 3.33Å; A43-Y47 VanDerWaalsContact O-N 3.13Å; A43-V76 HydrophobicContact CB-CG1 4.26Å |
| 44 | K | 91.2 | Very high | 88.4 | Confident | 31 Ų | 31 | 60 Ų | 60 | 14% | 0.135 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 172.5 | -68.5 | 170.5 | -174.1 | 179.8 | 0 | 111.7 | M1 E22 I26 R40 N41 V42 L46 Y47 I48 | M1-K44 HydrophobicContact CB-CD 4.07Å; M1-K44 HydrophobicContact CB-CG 4.04Å; M1-K44 VanDerWaalsContact N-CE 3.34Å; E22-K44 VanDerWaalsContact OE1-CD 3.27Å; E22-K44 WeakPolarHBondContact OE1-CD 3.21Å; E22-K44 WeakPolarHBondContact OE1-CE 3.25Å; E22-K44 IonicContact OE1-NZ 3.95Å; E22-K44 PolarHBondContact OE1-NZ 3.34Å; I26-K44 HydrophobicContact CD1-CB 3.99Å; I26-K44 HydrophobicContact CD1-CD 4.42Å; R40-K44 WeakPolarHBondContact O-CG 3.32Å; R40-K44 PolarHBondContact O-N 3.28Å; N41-K44 PolarHBondContact O-N 3.42Å; N41-K44 PolarHBondContact OD1-NZ 2.86Å; V42-K44 VanDerWaalsContact C-N 3.33Å; V42-K44 PolarHBondContact O-N 3.13Å; K44-L46 VanDerWaalsContact C-N 3.34Å; K44-Y47 WeakPolarHBondContact O-CB 3.2Å; K44-Y47 PolarHBondContact O-N 3.28Å; K44-I48 WeakPolarHBondContact O-CG1 3.32Å; K44-I48 PolarHBondContact O-N 3.35Å |
| 45 | L | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -38.3 | 178.6 | -174.4 | 63.3 | 0 | 0 | 0 | 111.9 | F30 N41 V42 A43 Y47 I48 H49 A55 F57 G58 | F30-L45 HydrophobicContact CE2-CD2 4.07Å; N41-L45 WeakPolarHBondContact O-CB 3.47Å; N41-L45 PolarHBondContact O-N 3.48Å; V42-L45 CarbonylContact O-C 3.45Å; V42-L45 WeakPolarHBondContact O-CA 3.47Å; V42-L45 WeakPolarHBondContact O-CB 3.36Å; V42-L45 PolarHBondContact O-N 3.39Å; A43-L45 VanDerWaalsContact C-N 3.34Å; L45-Y47 VanDerWaalsContact C-N 3.32Å; L45-Y47 PolarHBondContact O-N 3.16Å; L45-I48 WeakPolarHBondContact O-CB 3.3Å; L45-I48 PolarHBondContact O-N 3.17Å; L45-H49 WeakPolarHBondContact O-CB 3.41Å; L45-H49 PolarHBondContact O-N 3.48Å; L45-A55 HydrophobicContact CD1-CB 3.67Å; L45-A55 HydrophobicContact CD2-CB 4.33Å; L45-A55 HydrophobicContact CG-CB 3.78Å; L45-F57 HydrophobicContact CD1-CE1 3.97Å; L45-F57 HydrophobicContact CD1-CE2 4.18Å; L45-F57 HydrophobicContact CD1-CZ 3.52Å; L45-F57 HydrophobicContact CD2-CD2 4.49Å; L45-F57 HydrophobicContact CD2-CE2 4Å; L45-F57 HydrophobicContact CD2-CZ 4.16Å; L45-G58 VanDerWaalsContact CD2-CA 3.46Å |
| 46 | L | 93.3 | Very high | 90.5 | Very high | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 172.9 | -64 | 178.3 | 0 | 0 | 0 | 112 | V42 A43 K44 H49 M50 L79 L83 L84 | V42-L46 HydrophobicContact CG1-CD1 4.33Å; V42-L46 HydrophobicContact CG1-CG 4.29Å; V42-L46 WeakPolarHBondContact O-CG 3.29Å; V42-L46 PolarHBondContact O-N 2.91Å; A43-L46 PolarHBondContact O-N 3.04Å; K44-L46 VanDerWaalsContact C-N 3.34Å; L46-H49 WeakPolarHBondContact O-CB 3.25Å; L46-H49 PolarHBondContact O-N 2.93Å; L46-M50 PolarHBondContact O-N 3.25Å; L46-L79 HydrophobicContact CD1-CD2 4.34Å; L46-L79 HydrophobicContact CD1-CG 4.21Å; L46-L83 HydrophobicContact CD2-CB 4.37Å; L46-L83 HydrophobicContact CD2-CD1 4.33Å; L46-L84 HydrophobicContact CD2-CD1 3.6Å; L46-L84 HydrophobicContact CD2-CD2 4.18Å; L46-L84 HydrophobicContact CD2-CG 3.62Å |
| 47 | Y | 91.5 | Very high | 90.9 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 18% | 0.18 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 172.4 | 178.3 | -100.5 | 0 | 0 | 0 | 111.9 | M1 L3 V6 A43 K44 L45 H49 M50 L51 | M1-Y47 HydrophobicContact SD-CD1 3.86Å; M1-Y47 HydrophobicContact SD-CE1 4.16Å; L3-Y47 HydrophobicContact CD2-CD2 3.9Å; L3-Y47 HydrophobicContact CD2-CE1 4.33Å; L3-Y47 HydrophobicContact CD2-CE2 3.41Å; L3-Y47 VanDerWaalsContact CD2-CE2 3.41Å; L3-Y47 HydrophobicContact CG-CD1 4.34Å; L3-Y47 HydrophobicContact CG-CD2 4.33Å; L3-Y47 HydrophobicContact CG-CE1 3.97Å; L3-Y47 HydrophobicContact CG-CE2 3.97Å; V6-Y47 HydrophobicContact CG2-CE1 4.25Å; A43-Y47 PolarHBondContact O-N 3.33Å; A43-Y47 VanDerWaalsContact O-N 3.13Å; K44-Y47 WeakPolarHBondContact O-CB 3.2Å; K44-Y47 PolarHBondContact O-N 3.28Å; L45-Y47 VanDerWaalsContact C-N 3.32Å; L45-Y47 PolarHBondContact O-N 3.16Å; Y47-H49 VanDerWaalsContact C-N 3.26Å; Y47-H49 PolarHBondContact O-N 3.46Å; Y47-M50 HydrophobicContact CD2-CE 3.64Å; Y47-M50 HydrophobicContact CE2-CE 3.83Å; Y47-M50 WeakPolarHBondContact O-CB 3.37Å; Y47-M50 PolarHBondContact O-N 3.01Å; Y47-M50 VanDerWaalsContact O-N 3.16Å; Y47-L51 HydrophobicContact CD1-CD1 4.11Å; Y47-L51 HydrophobicContact CE1-CD1 3.6Å; Y47-L51 HydrophobicContact CE1-CG 4.14Å; Y47-L51 PolarHBondContact O-N 3.27Å; Y47-L51 VanDerWaalsContact O-N 3.09Å |
| 48 | I | 92 | Very high | 91 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -38.5 | 175 | -70.2 | 167.8 | 0 | 0 | 0 | 111 | M1 V19 E22 I26 K44 L45 L51 Y53 | M1-I48 HydrophobicContact CE-CD1 4.05Å; M1-I48 HydrophobicContact CE-CG1 3.86Å; M1-I48 HydrophobicContact SD-CD1 4.19Å; M1-I48 HydrophobicContact SD-CG1 3.92Å; V19-I48 HydrophobicContact CG1-CG1 4.34Å; V19-I48 HydrophobicContact CG1-CG2 3.61Å; E22-I48 HydrophobicContact CG-CD1 4.38Å; I26-I48 HydrophobicContact CD1-CD1 4.08Å; K44-I48 WeakPolarHBondContact O-CG1 3.32Å; K44-I48 PolarHBondContact O-N 3.35Å; L45-I48 WeakPolarHBondContact O-CB 3.3Å; L45-I48 PolarHBondContact O-N 3.17Å; I48-L51 PolarHBondContact O-N 3.32Å; I48-Y53 HydrophobicContact CG2-CD2 4.35Å; I48-Y53 HydrophobicContact CG2-CG 4.24Å; I48-Y53 WeakPolarHBondContact O-CB 3.41Å; I48-Y53 PolarHBondContact O-N 2.73Å |
| 49 | H | 92.8 | Very high | 90.9 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 22% | 0.218 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 173.9 | -177.3 | 58.1 | 0 | 0 | 0 | 112.4 | L45 L46 Y47 L51 G52 A55 L84 | L45-H49 WeakPolarHBondContact O-CB 3.41Å; L45-H49 PolarHBondContact O-N 3.48Å; L46-H49 WeakPolarHBondContact O-CB 3.25Å; L46-H49 PolarHBondContact O-N 2.93Å; Y47-H49 VanDerWaalsContact C-N 3.26Å; Y47-H49 PolarHBondContact O-N 3.46Å; H49-L51 PolarHBondContact O-N 2.95Å; H49-G52 WeakPolarHBondContact O-CA 3.5Å; H49-G52 PolarHBondContact O-N 2.94Å; H49-A55 HydrophobicContact CB-CB 3.81Å; H49-L84 HydrophobicContact CB-CD2 3.91Å |
| 50 | M | 92.4 | Very high | 90.8 | Very high | 106 Ų | 106 | 49.8 Ų | 49.8 | 52% | 0.522 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.1 | -23.2 | 176 | -170 | 179.7 | 69 | 0 | 0 | 112.9 | L46 Y47 G52 T625 | L46-M50 PolarHBondContact O-N 3.25Å; Y47-M50 HydrophobicContact CD2-CE 3.64Å; Y47-M50 HydrophobicContact CE2-CE 3.83Å; Y47-M50 WeakPolarHBondContact O-CB 3.37Å; Y47-M50 PolarHBondContact O-N 3.01Å; Y47-M50 VanDerWaalsContact O-N 3.16Å; M50-G52 PolarHBondContact O-N 3.34Å; M50-T625 HydrophobicContact CG-CG2 4.11Å; M50-T625 WeakPolarHBondContact O-CG2 3.47Å |
| 51 | L | 91.4 | Very high | 90.7 | Very high | 58 Ų | 58 | 44.5 Ų | 44.5 | 30% | 0.304 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -1.8 | 170.5 | -65.9 | 174.2 | 0 | 0 | 0 | 113.4 | V6 Y47 I48 H49 Y53 | V6-L51 HydrophobicContact CG1-CD1 3.8Å; Y47-L51 HydrophobicContact CD1-CD1 4.11Å; Y47-L51 HydrophobicContact CE1-CD1 3.6Å; Y47-L51 HydrophobicContact CE1-CG 4.14Å; Y47-L51 PolarHBondContact O-N 3.27Å; Y47-L51 VanDerWaalsContact O-N 3.09Å; I48-L51 PolarHBondContact O-N 3.32Å; H49-L51 PolarHBondContact O-N 2.95Å; L51-Y53 HydrophobicContact CB-CD2 3.74Å; L51-Y53 HydrophobicContact CB-CE2 3.93Å |
| 52 | G | 91.8 | Very high | 90.6 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 58% | 0.577 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | 5.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | H49 M50 | H49-G52 WeakPolarHBondContact O-CA 3.5Å; H49-G52 PolarHBondContact O-N 2.94Å; M50-G52 PolarHBondContact O-N 3.34Å |
| 53 | Y | 92.2 | Very high | 90.5 | Very high | 47 Ų | 47 | 45.4 Ų | 45.4 | 18% | 0.184 | 24% | 0.237 | C | C | . | . | trans | -85.2 | 151.2 | 177.4 | -64.3 | -88.9 | 0 | 0 | 0 | 112.5 | R16 V19 I48 L51 A55 | R16-Y53 WeakPolarHBondContact CA-OH 3.46Å; R16-Y53 HydrophobicContact CB-CE1 4.43Å; R16-Y53 HydrophobicContact CG-CE1 3.8Å; R16-Y53 VanDerWaalsContact CG-OH 3.28Å; R16-Y53 WeakPolarHBondContact CG-OH 3.38Å; R16-Y53 PolarHBondContact N-OH 3.22Å; V19-Y53 HydrophobicContact CB-CD2 4.48Å; V19-Y53 HydrophobicContact CB-CE1 4.29Å; V19-Y53 HydrophobicContact CB-CE2 4.24Å; V19-Y53 HydrophobicContact CG1-CD1 3.86Å; V19-Y53 HydrophobicContact CG1-CD2 3.83Å; V19-Y53 HydrophobicContact CG1-CE1 4.08Å; V19-Y53 HydrophobicContact CG1-CE2 4.09Å; V19-Y53 HydrophobicContact CG1-CG 3.71Å; V19-Y53 HydrophobicContact CG2-CD2 4.18Å; V19-Y53 HydrophobicContact CG2-CE2 3.73Å; I48-Y53 HydrophobicContact CG2-CD2 4.35Å; I48-Y53 HydrophobicContact CG2-CG 4.24Å; I48-Y53 WeakPolarHBondContact O-CB 3.41Å; I48-Y53 PolarHBondContact O-N 2.73Å; L51-Y53 HydrophobicContact CB-CD2 3.74Å; L51-Y53 HydrophobicContact CB-CE2 3.93Å; Y53-A55 PolarHBondContact O-N 3.18Å | ||
| 54 | Q | 90.5 | Very high | 90.4 | Very high | 157 Ų | 157 | 46.8 Ų | 46.8 | 73% | 0.734 | 23% | 0.234 | S | C | * | . | trans | -71.1 | 125.8 | -179.9 | -67 | 178.2 | -7.2 | 0 | 0 | 111.8 | ||||
| 55 | A | 88.3 | Confident | 90.4 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | trans | -125.3 | 16.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | L45 H49 Y53 F57 G58 L84 | L45-A55 HydrophobicContact CD1-CB 3.67Å; L45-A55 HydrophobicContact CD2-CB 4.33Å; L45-A55 HydrophobicContact CG-CB 3.78Å; H49-A55 HydrophobicContact CB-CB 3.81Å; Y53-A55 PolarHBondContact O-N 3.18Å; A55-F57 PolarHBondContact O-N 3.39Å; A55-F57 VanDerWaalsContact O-N 3.11Å; A55-G58 PolarHBondContact O-N 3.45Å; A55-L84 HydrophobicContact CB-CD2 3.81Å | ||
| 56 | H | 86.4 | Confident | 90.4 | Very high | 111 Ų | 111 | 45.4 Ų | 45.4 | 51% | 0.514 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -54.8 | -34.5 | -171.8 | -54.3 | -66.1 | 0 | 0 | 0 | 114 | G58 Q59 | H56-G58 PolarHBondContact O-N 2.89Å; H56-G58 VanDerWaalsContact O-N 3.1Å; H56-Q59 WeakPolarHBondContact O-CB 3.22Å; H56-Q59 VanDerWaalsContact O-CG 3.29Å; H56-Q59 WeakPolarHBondContact O-CG 3.28Å; H56-Q59 PolarHBondContact O-N 3.4Å |
| 57 | F | 89.1 | Confident | 90.3 | Very high | 72 Ų | 72 | 48.1 Ų | 48.1 | 32% | 0.316 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -65.1 | -15.5 | -178.7 | 68.3 | -93.8 | 0 | 0 | 0 | 114.3 | I26 R27 F30 L45 A55 | I26-F57 HydrophobicContact CG2-CE2 3.96Å; I26-F57 HydrophobicContact CG2-CZ 4.43Å; R27-F57 HydrophobicContact CG-CD1 4.33Å; R27-F57 HydrophobicContact CG-CD2 3.58Å; R27-F57 HydrophobicContact CG-CE1 4.19Å; R27-F57 HydrophobicContact CG-CE2 3.4Å; R27-F57 HydrophobicContact CG-CG 4.05Å; R27-F57 HydrophobicContact CG-CZ 3.72Å; F30-F57 HydrophobicContact CD2-CD2 4.03Å; F30-F57 AromaticContact CD2-CE2 3.99Å; F30-F57 HydrophobicContact CD2-CE2 3.99Å; F30-F57 HydrophobicContact CE2-CD2 4.2Å; F30-F57 AromaticContact CE2-CE2 3.94Å; F30-F57 HydrophobicContact CE2-CE2 3.94Å; L45-F57 HydrophobicContact CD1-CE1 3.97Å; L45-F57 HydrophobicContact CD1-CE2 4.18Å; L45-F57 HydrophobicContact CD1-CZ 3.52Å; L45-F57 HydrophobicContact CD2-CD2 4.49Å; L45-F57 HydrophobicContact CD2-CE2 4Å; L45-F57 HydrophobicContact CD2-CZ 4.16Å; A55-F57 PolarHBondContact O-N 3.39Å; A55-F57 VanDerWaalsContact O-N 3.11Å |
| 58 | G | 87.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -90 | -2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L45 A55 H56 L60 E61 C62 | L45-G58 VanDerWaalsContact CD2-CA 3.46Å; A55-G58 PolarHBondContact O-N 3.45Å; H56-G58 PolarHBondContact O-N 2.89Å; H56-G58 VanDerWaalsContact O-N 3.1Å; G58-L60 PolarHBondContact O-N 3.16Å; G58-E61 PolarHBondContact O-N 3.08Å; G58-C62 PolarHBondContact O-N 3.22Å; G58-C62 VanDerWaalsContact O-N 3.14Å; G58-C62 PolarHBondContact O-SG 2.84Å |
| 59 | Q | 88.4 | Confident | 90.1 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -46.8 | -176.8 | -74.4 | 174.3 | -16 | 0 | 0 | 112 | H56 E61 C62 L63 L84 L85 | H56-Q59 WeakPolarHBondContact O-CB 3.22Å; H56-Q59 VanDerWaalsContact O-CG 3.29Å; H56-Q59 WeakPolarHBondContact O-CG 3.28Å; H56-Q59 PolarHBondContact O-N 3.4Å; Q59-E61 VanDerWaalsContact C-N 3.33Å; Q59-E61 PolarHBondContact O-N 2.9Å; Q59-C62 WeakPolarHBondContact O-CB 3.23Å; Q59-C62 PolarHBondContact O-N 3.27Å; Q59-L63 PolarHBondContact O-N 3Å; Q59-L84 HydrophobicContact CG-CB 4.1Å; Q59-L84 PolarHBondContact NE2-O 3.48Å; Q59-L85 HydrophobicContact CB-CD2 3.84Å; Q59-L85 HydrophobicContact CG-CD2 3.8Å |
| 60 | L | 88.4 | Confident | 90 | Very high | 101 Ų | 101 | 58.4 Ų | 58.4 | 53% | 0.529 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.1 | -33.7 | 178 | -67.5 | 177.7 | 0 | 0 | 0 | 112.9 | G58 C62 L63 K64 V91 | G58-L60 PolarHBondContact O-N 3.16Å; L60-C62 VanDerWaalsContact C-N 3.26Å; L60-C62 PolarHBondContact O-N 3.1Å; L60-L63 HydrophobicContact CD2-CD1 3.78Å; L60-L63 VanDerWaalsContact O-CB 3.3Å; L60-L63 WeakPolarHBondContact O-CB 3.47Å; L60-L63 PolarHBondContact O-N 3.37Å; L60-L63 VanDerWaalsContact O-N 3.11Å; L60-K64 PolarHBondContact O-N 3.45Å; L60-K64 VanDerWaalsContact O-N 3.14Å; L60-V91 HydrophobicContact CD2-CG1 4.07Å |
| 61 | E | 88.7 | Confident | 90 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 7% | 0.065 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.1 | -27.8 | 176.9 | -66.1 | -60.4 | 131.1 | 0 | 0 | 112 | F30 R38 V42 G58 Q59 L63 K64 L65 | F30-E61 HydrophobicContact CB-CG 4.19Å; F30-E61 HydrophobicContact CD1-CG 3.85Å; F30-E61 HydrophobicContact CD2-CG 3.74Å; F30-E61 HydrophobicContact CE1-CB 4.24Å; F30-E61 HydrophobicContact CE1-CG 4.05Å; F30-E61 HydrophobicContact CE2-CB 4.24Å; F30-E61 HydrophobicContact CE2-CG 3.94Å; F30-E61 HydrophobicContact CG-CG 3.69Å; F30-E61 HydrophobicContact CZ-CB 4.1Å; F30-E61 HydrophobicContact CZ-CG 4.1Å; R38-E61 WeakPolarHBondContact CD-OE2 3.42Å; R38-E61 IonicContact CZ-OE2 2.8Å; R38-E61 IonicContact NE-OE2 3.59Å; R38-E61 PolarHBondContact NE-OE2 3.4Å; V42-E61 HydrophobicContact CG2-CB 3.99Å; G58-E61 PolarHBondContact O-N 3.08Å; Q59-E61 VanDerWaalsContact C-N 3.33Å; Q59-E61 PolarHBondContact O-N 2.9Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-K64 PolarHBondContact O-N 3.02Å; E61-K64 WeakPolarHBondContact OE1-CD 3.22Å; E61-K64 WeakPolarHBondContact OE1-CE 3.5Å; E61-K64 IonicContact OE1-NZ 2.94Å; E61-K64 PolarHBondContact OE1-NZ 3.09Å; E61-L65 WeakPolarHBondContact O-CG 3.41Å; E61-L65 PolarHBondContact O-N 3.26Å; E61-L65 VanDerWaalsContact O-N 3.09Å |
| 62 | C | 90.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 169.6 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | G58 Q59 L60 L65 I66 | G58-C62 PolarHBondContact O-N 3.22Å; G58-C62 VanDerWaalsContact O-N 3.14Å; G58-C62 PolarHBondContact O-SG 2.84Å; Q59-C62 WeakPolarHBondContact O-CB 3.23Å; Q59-C62 PolarHBondContact O-N 3.27Å; L60-C62 VanDerWaalsContact C-N 3.26Å; L60-C62 PolarHBondContact O-N 3.1Å; C62-L65 PolarHBondContact O-N 3.35Å; C62-I66 WeakPolarHBondContact O-CG1 3.34Å; C62-I66 PolarHBondContact O-N 3.38Å |
| 63 | L | 89.4 | Confident | 90.2 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 13% | 0.131 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.2 | -55.2 | -179.3 | 0 | 0 | 0 | 111.6 | Q59 L60 E61 L65 I66 A67 L85 V91 L94 I95 | Q59-L63 PolarHBondContact O-N 3Å; L60-L63 HydrophobicContact CD2-CD1 3.78Å; L60-L63 VanDerWaalsContact O-CB 3.3Å; L60-L63 WeakPolarHBondContact O-CB 3.47Å; L60-L63 PolarHBondContact O-N 3.37Å; L60-L63 VanDerWaalsContact O-N 3.11Å; E61-L63 VanDerWaalsContact C-N 3.33Å; L63-L65 VanDerWaalsContact C-N 3.28Å; L63-L65 PolarHBondContact O-N 3.06Å; L63-I66 WeakPolarHBondContact O-CB 3.44Å; L63-I66 PolarHBondContact O-N 3.31Å; L63-I66 VanDerWaalsContact O-N 3.13Å; L63-A67 PolarHBondContact O-N 3.15Å; L63-L85 HydrophobicContact CD2-CD1 4.48Å; L63-V91 HydrophobicContact CD1-CG1 4.03Å; L63-L94 HydrophobicContact CD1-CB 3.93Å; L63-L94 HydrophobicContact CD1-CD1 3.79Å; L63-I95 HydrophobicContact CD2-CB 4.45Å; L63-I95 HydrophobicContact CD2-CD1 3.53Å; L63-I95 HydrophobicContact CD2-CG1 3.07Å |
| 64 | K | 89.9 | Confident | 90.2 | Very high | 73 Ų | 73 | 55.1 Ų | 55.1 | 32% | 0.317 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60 | -38.5 | 176 | -67.3 | -178.7 | -176.7 | 172.1 | 0 | 111.8 | E33 L60 E61 A67 S68 | E33-K64 IonicContact OE1-NZ 3.83Å; L60-K64 PolarHBondContact O-N 3.45Å; L60-K64 VanDerWaalsContact O-N 3.14Å; E61-K64 PolarHBondContact O-N 3.02Å; E61-K64 WeakPolarHBondContact OE1-CD 3.22Å; E61-K64 WeakPolarHBondContact OE1-CE 3.5Å; E61-K64 IonicContact OE1-NZ 2.94Å; E61-K64 PolarHBondContact OE1-NZ 3.09Å; K64-A67 PolarHBondContact O-N 2.94Å; K64-S68 PolarHBondContact O-N 3.42Å |
| 65 | L | 92 | Very high | 90.4 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 174.9 | -72.4 | 178.7 | 0 | 0 | 0 | 112.9 | R38 C39 V42 E61 C62 L63 A67 S68 D73 K74 V76 | R38-L65 HydrophobicContact CB-CD2 4.2Å; R38-L65 HydrophobicContact CG-CD1 4.43Å; R38-L65 HydrophobicContact CG-CD2 3.78Å; R38-L65 HydrophobicContact CG-CG 3.99Å; C39-L65 HydrophobicContact CB-CD2 4.08Å; V42-L65 HydrophobicContact CB-CD1 3.66Å; V42-L65 HydrophobicContact CG1-CD1 3.91Å; V42-L65 HydrophobicContact CG2-CD1 3.6Å; E61-L65 WeakPolarHBondContact O-CG 3.41Å; E61-L65 PolarHBondContact O-N 3.26Å; E61-L65 VanDerWaalsContact O-N 3.09Å; C62-L65 PolarHBondContact O-N 3.35Å; L63-L65 VanDerWaalsContact C-N 3.28Å; L63-L65 PolarHBondContact O-N 3.06Å; L65-A67 VanDerWaalsContact C-N 3.3Å; L65-A67 PolarHBondContact O-N 2.75Å; L65-S68 VanDerWaalsContact O-CB 3.25Å; L65-S68 WeakPolarHBondContact O-CB 3.48Å; L65-S68 PolarHBondContact O-N 3.02Å; L65-D73 HydrophobicContact CD2-CB 3.88Å; L65-D73 CarbonylContact O-C 3.5Å; L65-K74 PolarHBondContact O-N 2.86Å; L65-V76 HydrophobicContact CD1-CG1 4.17Å |
| 66 | I | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 174.7 | -69.2 | 167 | 0 | 0 | 0 | 110.7 | C62 L63 S68 K74 Y78 A81 I95 | C62-I66 WeakPolarHBondContact O-CG1 3.34Å; C62-I66 PolarHBondContact O-N 3.38Å; L63-I66 WeakPolarHBondContact O-CB 3.44Å; L63-I66 PolarHBondContact O-N 3.31Å; L63-I66 VanDerWaalsContact O-N 3.13Å; I66-S68 PolarHBondContact O-N 2.89Å; I66-K74 PolarHBondContact O-NZ 2.91Å; I66-Y78 HydrophobicContact CD1-CD1 3.94Å; I66-Y78 HydrophobicContact CD1-CE1 4.12Å; I66-Y78 HydrophobicContact CG1-CD1 4.05Å; I66-Y78 HydrophobicContact CG1-CE1 4.19Å; I66-Y78 HydrophobicContact CG1-CG 4.24Å; I66-Y78 HydrophobicContact CG2-CE1 3.82Å; I66-Y78 HydrophobicContact CG2-CE2 4.17Å; I66-A81 HydrophobicContact CD1-CB 3.84Å; I66-I95 HydrophobicContact CD1-CD1 3.91Å; I66-I95 HydrophobicContact CD1-CG1 4.26Å; I66-I95 HydrophobicContact CD1-CG2 4.41Å |
| 67 | A | 90.3 | Very high | 91 | Very high | 69 Ų | 69 | 51.1 Ų | 51.1 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -71.9 | -13.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L63 K64 L65 | L63-A67 PolarHBondContact O-N 3.15Å; K64-A67 PolarHBondContact O-N 2.94Å; L65-A67 VanDerWaalsContact C-N 3.3Å; L65-A67 PolarHBondContact O-N 2.75Å |
| 68 | S | 89.5 | Confident | 91.2 | Very high | 27 Ų | 27 | 48 Ų | 48 | 19% | 0.189 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -64.1 | 149.9 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | K64 L65 I66 R70 D73 K74 | K64-S68 PolarHBondContact O-N 3.42Å; L65-S68 VanDerWaalsContact O-CB 3.25Å; L65-S68 WeakPolarHBondContact O-CB 3.48Å; L65-S68 PolarHBondContact O-N 3.02Å; I66-S68 PolarHBondContact O-N 2.89Å; S68-R70 VanDerWaalsContact C-N 3.33Å; S68-R70 PolarHBondContact OG-N 2.94Å; S68-D73 PolarHBondContact OG-OD2 3.4Å; S68-K74 WeakPolarHBondContact O-CE 3.46Å; S68-K74 VanDerWaalsContact O-CG 3.29Å; S68-K74 WeakPolarHBondContact O-CG 3.33Å; S68-K74 PolarHBondContact O-NZ 3.19Å |
| 69 | T | 89.7 | Confident | 91.5 | Very high | 137 Ų | 137 | 52.5 Ų | 52.5 | 84% | 0.84 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -79.4 | -16.9 | 173.8 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 70 | R | 91.5 | Very high | 91.6 | Very high | 145 Ų | 145 | 51.3 Ų | 51.3 | 55% | 0.547 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -79.9 | 129.6 | -176.8 | -62.3 | 177.7 | 68.9 | -159.3 | 6.9 | 110.8 | S68 T72 D73 K74 | S68-R70 VanDerWaalsContact C-N 3.33Å; S68-R70 PolarHBondContact OG-N 2.94Å; R70-T72 VanDerWaalsContact C-N 3.3Å; R70-T72 PolarHBondContact O-N 2.95Å; R70-D73 HydrophobicContact CB-CB 4.19Å; R70-D73 IonicContact NH1-OD1 2.85Å; R70-D73 IonicContact NH1-OD2 3.88Å; R70-D73 PolarHBondContact O-N 3.22Å; R70-D73 VanDerWaalsContact O-N 3.14Å; R70-K74 PolarHBondContact O-N 2.91Å |
| 71 | F | 92.6 | Very high | 91.7 | Very high | 88 Ų | 88 | 46.5 Ų | 46.5 | 39% | 0.386 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.2 | -39.2 | 179 | 178.1 | -102.4 | 0 | 0 | 0 | 113.4 | D73 K74 R75 F109 V110 L113 | F71-D73 VanDerWaalsContact C-N 3.31Å; F71-D73 PolarHBondContact O-N 3.19Å; F71-K74 PolarHBondContact O-N 3.35Å; F71-R75 VanDerWaalsContact O-CB 3.32Å; F71-R75 WeakPolarHBondContact O-CB 3.49Å; F71-R75 PolarHBondContact O-N 2.81Å; F71-F109 HydrophobicContact CD2-CB 4.4Å; F71-F109 HydrophobicContact CE2-CB 3.61Å; F71-F109 HydrophobicContact CZ-CB 4.08Å; F71-V110 HydrophobicContact CD2-CG2 4.02Å; F71-L113 HydrophobicContact CD2-CD1 4.01Å; F71-L113 HydrophobicContact CE2-CD1 3.42Å; F71-L113 VanDerWaalsContact CE2-CD1 3.42Å; F71-L113 HydrophobicContact CE2-CG 4.2Å; F71-L113 HydrophobicContact CZ-CD1 3.97Å |
| 72 | T | 93.1 | Very high | 91.8 | Very high | 74 Ų | 74 | 47.5 Ų | 47.5 | 45% | 0.454 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.6 | -40.5 | 177.8 | 46.2 | 0 | 0 | 0 | 0 | 112.3 | R70 R75 V76 | R70-T72 VanDerWaalsContact C-N 3.3Å; R70-T72 PolarHBondContact O-N 2.95Å; T72-R75 PolarHBondContact O-N 3.32Å; T72-V76 PolarHBondContact O-N 3.2Å; T72-V76 VanDerWaalsContact O-N 3.14Å |
| 73 | D | 93.2 | Very high | 91.8 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.6 | -47.4 | -178.8 | -63.7 | -7.1 | 0 | 0 | 0 | 109.7 | C39 L65 S68 R70 F71 R75 V76 G77 | C39-D73 WeakPolarHBondContact CB-OD1 3.1Å; L65-D73 HydrophobicContact CD2-CB 3.88Å; L65-D73 CarbonylContact O-C 3.5Å; S68-D73 PolarHBondContact OG-OD2 3.4Å; R70-D73 HydrophobicContact CB-CB 4.19Å; R70-D73 IonicContact NH1-OD1 2.85Å; R70-D73 IonicContact NH1-OD2 3.88Å; R70-D73 PolarHBondContact O-N 3.22Å; R70-D73 VanDerWaalsContact O-N 3.14Å; F71-D73 VanDerWaalsContact C-N 3.31Å; F71-D73 PolarHBondContact O-N 3.19Å; D73-R75 VanDerWaalsContact C-N 3.29Å; D73-R75 PolarHBondContact O-N 2.7Å; D73-V76 PolarHBondContact O-N 2.98Å; D73-G77 PolarHBondContact O-N 2.78Å |
| 74 | K | 93.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.9 | -43 | 173.3 | -72 | -169.8 | 176.1 | -67.8 | 0 | 112 | L65 I66 S68 R70 F71 G77 Y78 D102 V110 | L65-K74 PolarHBondContact O-N 2.86Å; I66-K74 PolarHBondContact O-NZ 2.91Å; S68-K74 WeakPolarHBondContact O-CE 3.46Å; S68-K74 VanDerWaalsContact O-CG 3.29Å; S68-K74 WeakPolarHBondContact O-CG 3.33Å; S68-K74 PolarHBondContact O-NZ 3.19Å; R70-K74 PolarHBondContact O-N 2.91Å; F71-K74 PolarHBondContact O-N 3.35Å; K74-G77 PolarHBondContact O-N 3Å; K74-Y78 HydrophobicContact CB-CD2 4.34Å; K74-Y78 HydrophobicContact CB-CE2 4.42Å; K74-Y78 WeakPolarHBondContact O-CB 3.4Å; K74-Y78 WeakPolarHBondContact O-CD2 3.47Å; K74-Y78 PolarHBondContact O-N 3.46Å; K74-D102 VanDerWaalsContact CE-OD1 3.27Å; K74-D102 WeakPolarHBondContact CE-OD1 3.32Å; K74-D102 IonicContact NZ-OD1 3.78Å; K74-D102 PolarHBondContact NZ-OD1 2.74Å; K74-D102 IonicContact NZ-OD2 2.73Å; K74-D102 PolarHBondContact NZ-OD2 3.18Å; K74-V110 HydrophobicContact CD-CG1 3.84Å; K74-V110 HydrophobicContact CD-CG2 4.38Å |
| 75 | R | 94.6 | Very high | 91.5 | Very high | 158 Ų | 158 | 48 Ų | 48 | 60% | 0.596 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61 | -47.6 | 179.2 | -178.6 | 177.8 | 173 | 179.3 | -1.6 | 112 | F71 T72 D73 L79 L113 | F71-R75 VanDerWaalsContact O-CB 3.32Å; F71-R75 WeakPolarHBondContact O-CB 3.49Å; F71-R75 PolarHBondContact O-N 2.81Å; T72-R75 PolarHBondContact O-N 3.32Å; D73-R75 VanDerWaalsContact C-N 3.29Å; D73-R75 PolarHBondContact O-N 2.7Å; R75-L79 WeakPolarHBondContact O-CB 3.43Å; R75-L79 PolarHBondContact O-N 3.15Å; R75-L79 VanDerWaalsContact O-N 3.1Å; R75-L113 HydrophobicContact CB-CD1 3.97Å; R75-L113 HydrophobicContact CG-CD2 4.28Å |
| 76 | V | 94.2 | Very high | 91 | Very high | 28 Ų | 28 | 51 Ų | 51 | 17% | 0.17 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.5 | -37.4 | 177.9 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | V42 A43 L65 T72 D73 L79 G80 | V42-V76 HydrophobicContact CB-CG1 4.34Å; V42-V76 HydrophobicContact CG1-CG1 4.02Å; A43-V76 HydrophobicContact CB-CG1 4.26Å; L65-V76 HydrophobicContact CD1-CG1 4.17Å; T72-V76 PolarHBondContact O-N 3.2Å; T72-V76 VanDerWaalsContact O-N 3.14Å; D73-V76 PolarHBondContact O-N 2.98Å; V76-L79 PolarHBondContact O-N 3.36Å; V76-G80 PolarHBondContact O-N 3.08Å |
| 77 | G | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D73 K74 G80 A81 | D73-G77 PolarHBondContact O-N 2.78Å; K74-G77 PolarHBondContact O-N 3Å; G77-G80 PolarHBondContact O-N 2.94Å; G77-A81 WeakPolarHBondContact O-CB 3.33Å; G77-A81 PolarHBondContact O-N 2.89Å |
| 78 | Y | 93.5 | Very high | 89.9 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 176.7 | -80.5 | -57.4 | 0 | 0 | 0 | 113 | I66 K74 G80 A81 A82 L99 D102 L113 A117 | I66-Y78 HydrophobicContact CD1-CD1 3.94Å; I66-Y78 HydrophobicContact CD1-CE1 4.12Å; I66-Y78 HydrophobicContact CG1-CD1 4.05Å; I66-Y78 HydrophobicContact CG1-CE1 4.19Å; I66-Y78 HydrophobicContact CG1-CG 4.24Å; I66-Y78 HydrophobicContact CG2-CE1 3.82Å; I66-Y78 HydrophobicContact CG2-CE2 4.17Å; K74-Y78 HydrophobicContact CB-CD2 4.34Å; K74-Y78 HydrophobicContact CB-CE2 4.42Å; K74-Y78 WeakPolarHBondContact O-CB 3.4Å; K74-Y78 WeakPolarHBondContact O-CD2 3.47Å; K74-Y78 PolarHBondContact O-N 3.46Å; Y78-G80 VanDerWaalsContact C-N 3.32Å; Y78-A81 PolarHBondContact O-N 2.93Å; Y78-A82 WeakPolarHBondContact O-CB 3.23Å; Y78-A82 PolarHBondContact O-N 3.34Å; Y78-L99 HydrophobicContact CD1-CD2 4.47Å; Y78-L99 HydrophobicContact CE1-CD2 3.51Å; Y78-L99 HydrophobicContact CE1-CG 4.14Å; Y78-D102 WeakPolarHBondContact CE2-OD2 3.38Å; Y78-D102 WeakPolarHBondContact OH-CB 3.45Å; Y78-D102 PolarHBondContact OH-OD2 3.27Å; Y78-L113 HydrophobicContact CD2-CB 3.88Å; Y78-L113 HydrophobicContact CE2-CB 4.36Å; Y78-A117 HydrophobicContact CD1-CB 3.34Å; Y78-A117 HydrophobicContact CE1-CB 3.97Å; Y78-A117 HydrophobicContact CG-CB 3.99Å |
| 79 | L | 93.5 | Very high | 89.2 | Confident | 95 Ų | 95 | 62 Ų | 62 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 171.4 | 177.9 | 63 | 0 | 0 | 0 | 111 | L46 R75 V76 A82 L83 | L46-L79 HydrophobicContact CD1-CD2 4.34Å; L46-L79 HydrophobicContact CD1-CG 4.21Å; R75-L79 WeakPolarHBondContact O-CB 3.43Å; R75-L79 PolarHBondContact O-N 3.15Å; R75-L79 VanDerWaalsContact O-N 3.1Å; V76-L79 PolarHBondContact O-N 3.36Å; L79-A82 PolarHBondContact O-N 3.33Å; L79-L83 HydrophobicContact CD1-CD1 4.07Å; L79-L83 HydrophobicContact CD1-CG 4.41Å; L79-L83 HydrophobicContact CG-CD1 4.18Å; L79-L83 WeakPolarHBondContact O-CG 3.33Å; L79-L83 PolarHBondContact O-N 2.83Å; L79-L83 VanDerWaalsContact O-N 3.15Å |
| 80 | G | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.7 | -39 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V76 G77 Y78 L83 L84 | V76-G80 PolarHBondContact O-N 3.08Å; G77-G80 PolarHBondContact O-N 2.94Å; Y78-G80 VanDerWaalsContact C-N 3.32Å; G80-L83 PolarHBondContact O-N 3.22Å; G80-L84 VanDerWaalsContact O-CB 3.27Å; G80-L84 WeakPolarHBondContact O-CB 3.34Å; G80-L84 WeakPolarHBondContact O-CG 3.46Å; G80-L84 PolarHBondContact O-N 3.17Å |
| 81 | A | 89.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | I66 G77 Y78 L83 L85 I95 I121 | I66-A81 HydrophobicContact CD1-CB 3.84Å; G77-A81 WeakPolarHBondContact O-CB 3.33Å; G77-A81 PolarHBondContact O-N 2.89Å; Y78-A81 PolarHBondContact O-N 2.93Å; A81-L83 VanDerWaalsContact C-N 3.27Å; A81-L83 PolarHBondContact O-N 3.23Å; A81-L85 HydrophobicContact CB-CD1 3.7Å; A81-L85 HydrophobicContact CB-CG 4.49Å; A81-L85 VanDerWaalsContact O-CB 3.31Å; A81-L85 WeakPolarHBondContact O-CB 3.36Å; A81-L85 PolarHBondContact O-N 3.36Å; A81-I95 HydrophobicContact CB-CD1 3.66Å; A81-I121 HydrophobicContact CB-CD1 4.46Å |
| 82 | A | 89.8 | Confident | 87.1 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 28% | 0.281 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.8 | -26.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y78 L79 T120 I121 | Y78-A82 WeakPolarHBondContact O-CB 3.23Å; Y78-A82 PolarHBondContact O-N 3.34Å; L79-A82 PolarHBondContact O-N 3.33Å; A82-T120 HydrophobicContact CB-CG2 4.21Å; A82-I121 HydrophobicContact CB-CG2 4.24Å |
| 83 | L | 90.8 | Very high | 86.6 | Confident | 78 Ų | 78 | 52 Ų | 52 | 41% | 0.408 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -98.1 | -39.3 | -178.8 | -67.5 | 173.8 | 0 | 0 | 0 | 113.5 | L46 L79 G80 A81 | L46-L83 HydrophobicContact CD2-CB 4.37Å; L46-L83 HydrophobicContact CD2-CD1 4.33Å; L79-L83 HydrophobicContact CD1-CD1 4.07Å; L79-L83 HydrophobicContact CD1-CG 4.41Å; L79-L83 HydrophobicContact CG-CD1 4.18Å; L79-L83 WeakPolarHBondContact O-CG 3.33Å; L79-L83 PolarHBondContact O-N 2.83Å; L79-L83 VanDerWaalsContact O-N 3.15Å; G80-L83 PolarHBondContact O-N 3.22Å; A81-L83 VanDerWaalsContact C-N 3.27Å; A81-L83 PolarHBondContact O-N 3.23Å |
| 84 | L | 88.1 | Confident | 86.1 | Confident | 14 Ų | 14 | 56.2 Ų | 56.2 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -98.2 | -21.5 | -169.7 | -62.9 | 179.1 | 0 | 0 | 0 | 114.4 | L46 H49 A55 Q59 G80 | L46-L84 HydrophobicContact CD2-CD1 3.6Å; L46-L84 HydrophobicContact CD2-CD2 4.18Å; L46-L84 HydrophobicContact CD2-CG 3.62Å; H49-L84 HydrophobicContact CB-CD2 3.91Å; A55-L84 HydrophobicContact CB-CD2 3.81Å; Q59-L84 HydrophobicContact CG-CB 4.1Å; Q59-L84 PolarHBondContact NE2-O 3.48Å; G80-L84 VanDerWaalsContact O-CB 3.27Å; G80-L84 WeakPolarHBondContact O-CB 3.34Å; G80-L84 WeakPolarHBondContact O-CG 3.46Å; G80-L84 PolarHBondContact O-N 3.17Å |
| 85 | L | 84.9 | Confident | 85.9 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | trans | -96.9 | 130.8 | -177.2 | -59 | 173.6 | 0 | 0 | 0 | 109.9 | Q59 L63 A81 V91 H92 I95 | Q59-L85 HydrophobicContact CB-CD2 3.84Å; Q59-L85 HydrophobicContact CG-CD2 3.8Å; L63-L85 HydrophobicContact CD2-CD1 4.48Å; A81-L85 HydrophobicContact CB-CD1 3.7Å; A81-L85 HydrophobicContact CB-CG 4.49Å; A81-L85 VanDerWaalsContact O-CB 3.31Å; A81-L85 WeakPolarHBondContact O-CB 3.36Å; A81-L85 PolarHBondContact O-N 3.36Å; L85-V91 HydrophobicContact CD2-CG1 4.18Å; L85-H92 HydrophobicContact CB-CB 4.33Å; L85-H92 HydrophobicContact CD1-CB 4.49Å; L85-I95 HydrophobicContact CD1-CD1 3.14Å; L85-I95 HydrophobicContact CD1-CG1 4.31Å | ||
| 86 | D | 81.3 | Confident | 85.7 | Confident | 65 Ų | 65 | 48.3 Ų | 48.3 | 35% | 0.348 | 25% | 0.253 | S | S | . | . | trans | -112 | 157.7 | 174 | 60.6 | 2.7 | 0 | 0 | 0 | 110.6 | K88 T89 H92 | D86-K88 PolarHBondContact O-N 3.18Å; D86-T89 PolarHBondContact O-N 3.04Å; D86-T89 WeakPolarHBondContact OD1-CB 3.09Å; D86-T89 PolarHBondContact OD1-N 3.47Å; D86-T89 VanDerWaalsContact OD1-N 3.13Å; D86-T89 PolarHBondContact OD1-OG1 3.25Å; D86-H92 PolarHBondContact O-ND1 2.97Å | ||
| 87 | E | 80.4 | Confident | 85.5 | Confident | 88 Ų | 88 | 53.1 Ų | 53.1 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -14.9 | 173.9 | -68.4 | 172.3 | -145.8 | 0 | 0 | 112.1 | T89 K159 | E87-T89 VanDerWaalsContact C-N 3.32Å; E87-K159 VanDerWaalsContact OE1-CE 3.28Å; E87-K159 WeakPolarHBondContact OE1-CE 2.96Å; E87-K159 IonicContact OE1-NZ 2.63Å; E87-K159 PolarHBondContact OE1-NZ 3.25Å; E87-K159 IonicContact OE2-NZ 3.08Å; E87-K159 PolarHBondContact OE2-NZ 2.88Å |
| 88 | K | 80.4 | Confident | 85.4 | Confident | 187 Ų | 187 | 54.7 Ų | 54.7 | 81% | 0.813 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -21.5 | 178.9 | -60.2 | -174.5 | 178.1 | -173.2 | 0 | 113 | D86 | D86-K88 PolarHBondContact O-N 3.18Š|
| 89 | T | 73.6 | Confident | 85.4 | Confident | 51 Ų | 51 | 54.4 Ų | 54.4 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -112.3 | 120.5 | -178.2 | -46.9 | 0 | 0 | 0 | 0 | 110.2 | D86 E87 V91 H92 | D86-T89 PolarHBondContact O-N 3.04Å; D86-T89 WeakPolarHBondContact OD1-CB 3.09Å; D86-T89 PolarHBondContact OD1-N 3.47Å; D86-T89 VanDerWaalsContact OD1-N 3.13Å; D86-T89 PolarHBondContact OD1-OG1 3.25Å; E87-T89 VanDerWaalsContact C-N 3.32Å; T89-V91 HydrophobicContact CG2-CB 4.1Å; T89-V91 HydrophobicContact CG2-CG2 3.72Å; T89-V91 PolarHBondContact O-N 3.4Å; T89-H92 PolarHBondContact O-N 3.12Å; T89-H92 PolarHBondContact O-ND1 3.01Å |
| 90 | D | 76.9 | Confident | 85.4 | Confident | 125 Ų | 125 | 54.8 Ų | 54.8 | 67% | 0.668 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -60.3 | -11.8 | -176.4 | -64 | -27.3 | 0 | 0 | 0 | 115.1 | H92 L93 | D90-H92 PolarHBondContact O-N 3.14Å; D90-H92 VanDerWaalsContact O-N 3.07Å; D90-L93 WeakPolarHBondContact O-CB 3.48Å; D90-L93 PolarHBondContact O-N 2.86Å |
| 91 | V | 77.8 | Confident | 85.5 | Confident | 36 Ų | 36 | 58.7 Ų | 58.7 | 22% | 0.218 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -54.4 | -28.8 | 177.7 | 177 | 0 | 0 | 0 | 0 | 112.1 | L60 L63 L85 T89 L93 L94 | L60-V91 HydrophobicContact CD2-CG1 4.07Å; L63-V91 HydrophobicContact CD1-CG1 4.03Å; L85-V91 HydrophobicContact CD2-CG1 4.18Å; T89-V91 HydrophobicContact CG2-CB 4.1Å; T89-V91 HydrophobicContact CG2-CG2 3.72Å; T89-V91 PolarHBondContact O-N 3.4Å; V91-L93 PolarHBondContact O-N 2.99Å; V91-L94 HydrophobicContact CG1-CD1 4.44Å; V91-L94 WeakPolarHBondContact O-CB 3.34Å; V91-L94 PolarHBondContact O-N 3.2Å |
| 92 | H | 76.7 | Confident | 85.7 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -64.1 | -26.4 | 177.9 | 72.9 | -88.4 | 0 | 0 | 0 | 113.2 | L85 D86 T89 D90 L94 I95 S123 | L85-H92 HydrophobicContact CB-CB 4.33Å; L85-H92 HydrophobicContact CD1-CB 4.49Å; D86-H92 PolarHBondContact O-ND1 2.97Å; T89-H92 PolarHBondContact O-N 3.12Å; T89-H92 PolarHBondContact O-ND1 3.01Å; D90-H92 PolarHBondContact O-N 3.14Å; D90-H92 VanDerWaalsContact O-N 3.07Å; H92-L94 PolarHBondContact O-N 3.3Å; H92-I95 VanDerWaalsContact O-CB 3.28Å; H92-I95 WeakPolarHBondContact O-CB 3.49Å; H92-I95 PolarHBondContact O-N 3.42Å; H92-S123 PolarHBondContact CD2-OG 3.15Å; H92-S123 WeakPolarHBondContact NE2-CB 3.47Å; H92-S123 PolarHBondContact NE2-OG 3.28Å |
| 93 | L | 81.9 | Confident | 85.9 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 35% | 0.346 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -66.5 | -23.4 | 178.4 | -63.4 | 175.7 | 0 | 0 | 0 | 112.8 | D90 V91 I95 T96 E125 M126 | D90-L93 WeakPolarHBondContact O-CB 3.48Å; D90-L93 PolarHBondContact O-N 2.86Å; V91-L93 PolarHBondContact O-N 2.99Å; L93-I95 PolarHBondContact O-N 3.35Å; L93-T96 WeakPolarHBondContact O-CB 3.34Å; L93-T96 PolarHBondContact O-N 3.32Å; L93-T96 VanDerWaalsContact O-N 3.16Å; L93-T96 PolarHBondContact O-OG1 3.14Å; L93-E125 HydrophobicContact CD2-CB 4.1Å; L93-M126 HydrophobicContact CD2-CG 4.18Å |
| 94 | L | 83.4 | Confident | 86 | Confident | 106 Ų | 106 | 57.2 Ų | 57.2 | 56% | 0.555 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -64.3 | -21.7 | 174.2 | -62.8 | 173.4 | 0 | 0 | 0 | 112.2 | L63 V91 H92 T96 | L63-L94 HydrophobicContact CD1-CB 3.93Å; L63-L94 HydrophobicContact CD1-CD1 3.79Å; V91-L94 HydrophobicContact CG1-CD1 4.44Å; V91-L94 WeakPolarHBondContact O-CB 3.34Å; V91-L94 PolarHBondContact O-N 3.2Å; H92-L94 PolarHBondContact O-N 3.3Å; L94-T96 VanDerWaalsContact C-N 3.33Å |
| 95 | I | 88.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -74 | -26.1 | 178.2 | -64.1 | -178.8 | 0 | 0 | 0 | 111.7 | L63 I66 A81 L85 H92 L93 N97 S98 L99 I121 | L63-I95 HydrophobicContact CD2-CB 4.45Å; L63-I95 HydrophobicContact CD2-CD1 3.53Å; L63-I95 HydrophobicContact CD2-CG1 3.07Å; I66-I95 HydrophobicContact CD1-CD1 3.91Å; I66-I95 HydrophobicContact CD1-CG1 4.26Å; I66-I95 HydrophobicContact CD1-CG2 4.41Å; A81-I95 HydrophobicContact CB-CD1 3.66Å; L85-I95 HydrophobicContact CD1-CD1 3.14Å; L85-I95 HydrophobicContact CD1-CG1 4.31Å; H92-I95 VanDerWaalsContact O-CB 3.28Å; H92-I95 WeakPolarHBondContact O-CB 3.49Å; H92-I95 PolarHBondContact O-N 3.42Å; L93-I95 PolarHBondContact O-N 3.35Å; I95-N97 VanDerWaalsContact C-N 3.26Å; I95-N97 PolarHBondContact O-N 3.12Å; I95-N97 VanDerWaalsContact O-N 3.15Å; I95-S98 WeakPolarHBondContact O-CA 3.34Å; I95-S98 WeakPolarHBondContact O-CB 3.46Å; I95-S98 PolarHBondContact O-N 3.45Å; I95-L99 HydrophobicContact CG2-CD1 3.58Å; I95-L99 HydrophobicContact CG2-CG 3.59Å; I95-L99 PolarHBondContact O-N 3.01Å; I95-I121 HydrophobicContact CD1-CD1 4.15Å; I95-I121 HydrophobicContact CG2-CD1 4.3Å |
| 96 | T | 90 | Very high | 86.4 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -53 | -43.6 | -172 | -51.3 | 0 | 0 | 0 | 0 | 112.4 | L93 L94 L99 K100 M126 D129 L130 | L93-T96 WeakPolarHBondContact O-CB 3.34Å; L93-T96 PolarHBondContact O-N 3.32Å; L93-T96 VanDerWaalsContact O-N 3.16Å; L93-T96 PolarHBondContact O-OG1 3.14Å; L94-T96 VanDerWaalsContact C-N 3.33Å; T96-L99 PolarHBondContact O-N 3.32Å; T96-K100 WeakPolarHBondContact O-CB 3.4Å; T96-K100 PolarHBondContact O-N 2.93Å; T96-M126 WeakPolarHBondContact OG1-CG 3.37Å; T96-D129 HydrophobicContact CG2-CB 3.89Å; T96-L130 HydrophobicContact CG2-CD1 4.26Å; T96-L130 HydrophobicContact CG2-CD2 4.3Å; T96-L130 HydrophobicContact CG2-CG 4.16Å |
| 97 | N | 90.1 | Very high | 86.9 | Confident | 128 Ų | 128 | 66.7 Ų | 66.7 | 68% | 0.684 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.4 | -40.6 | 177.6 | -73 | -25.7 | 0 | 0 | 0 | 112.8 | I95 K100 S101 | I95-N97 VanDerWaalsContact C-N 3.26Å; I95-N97 PolarHBondContact O-N 3.12Å; I95-N97 VanDerWaalsContact O-N 3.15Å; N97-K100 PolarHBondContact O-N 3.49Å; N97-S101 PolarHBondContact O-N 3.39Å; N97-S101 VanDerWaalsContact O-N 3.11Å |
| 98 | S | 91.4 | Very high | 87.6 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 23% | 0.231 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 178.1 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | I95 S101 D102 | I95-S98 WeakPolarHBondContact O-CA 3.34Å; I95-S98 WeakPolarHBondContact O-CB 3.46Å; I95-S98 PolarHBondContact O-N 3.45Å; S98-S101 PolarHBondContact O-N 2.99Å; S98-D102 WeakPolarHBondContact O-CB 3.21Å; S98-D102 PolarHBondContact O-N 2.88Å |
| 99 | L | 93 | Very high | 88.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 172.5 | -81.3 | 169.1 | 0 | 0 | 0 | 111.2 | Y78 I95 T96 S101 D102 L103 A114 A117 L118 M126 L130 | Y78-L99 HydrophobicContact CD1-CD2 4.47Å; Y78-L99 HydrophobicContact CE1-CD2 3.51Å; Y78-L99 HydrophobicContact CE1-CG 4.14Å; I95-L99 HydrophobicContact CG2-CD1 3.58Å; I95-L99 HydrophobicContact CG2-CG 3.59Å; I95-L99 PolarHBondContact O-N 3.01Å; T96-L99 PolarHBondContact O-N 3.32Å; L99-S101 VanDerWaalsContact C-N 3.29Å; L99-S101 PolarHBondContact O-N 3.29Å; L99-D102 PolarHBondContact O-N 3.49Å; L99-L103 WeakPolarHBondContact O-CB 3.49Å; L99-L103 WeakPolarHBondContact O-CG 3.38Å; L99-L103 PolarHBondContact O-N 3.01Å; L99-A114 HydrophobicContact CD2-CB 3.7Å; L99-A114 WeakPolarHBondContact CD2-O 3.14Å; L99-A117 HydrophobicContact CD2-CB 4.37Å; L99-L118 HydrophobicContact CD1-CB 4.45Å; L99-L118 HydrophobicContact CD1-CD1 4.34Å; L99-M126 HydrophobicContact CD1-CE 3.24Å; L99-L130 HydrophobicContact CB-CD1 3.78Å; L99-L130 HydrophobicContact CD1-CD1 3.96Å |
| 100 | K | 92.9 | Very high | 89.2 | Confident | 104 Ų | 104 | 60.4 Ų | 60.4 | 45% | 0.452 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57 | -44.1 | 178.3 | -169.4 | 170.1 | -177.6 | 169.7 | 0 | 112.1 | T96 N97 S104 L130 | T96-K100 WeakPolarHBondContact O-CB 3.4Å; T96-K100 PolarHBondContact O-N 2.93Å; N97-K100 PolarHBondContact O-N 3.49Å; K100-S104 PolarHBondContact O-OG 3.25Å; K100-L130 HydrophobicContact CB-CD2 3.75Å; K100-L130 HydrophobicContact CG-CD2 4.2Å |
| 101 | S | 92.7 | Very high | 90.1 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 57% | 0.573 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.8 | -47.9 | 175.3 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | N97 S98 L99 L103 S104 A105 | N97-S101 PolarHBondContact O-N 3.39Å; N97-S101 VanDerWaalsContact O-N 3.11Å; S98-S101 PolarHBondContact O-N 2.99Å; L99-S101 VanDerWaalsContact C-N 3.29Å; L99-S101 PolarHBondContact O-N 3.29Å; S101-L103 PolarHBondContact O-N 3.47Å; S101-S104 CarbonylContact O-C 3.56Å; S101-S104 PolarHBondContact O-N 2.91Å; S101-S104 VanDerWaalsContact O-N 3.09Å; S101-A105 PolarHBondContact O-N 3.01Å |
| 102 | D | 94.4 | Very high | 90.9 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.8 | -26.7 | -177.6 | -75.9 | -15.1 | 0 | 0 | 0 | 113.6 | K74 Y78 S98 L99 S104 A105 V110 T111 A114 | K74-D102 VanDerWaalsContact CE-OD1 3.27Å; K74-D102 WeakPolarHBondContact CE-OD1 3.32Å; K74-D102 IonicContact NZ-OD1 3.78Å; K74-D102 PolarHBondContact NZ-OD1 2.74Å; K74-D102 IonicContact NZ-OD2 2.73Å; K74-D102 PolarHBondContact NZ-OD2 3.18Å; Y78-D102 WeakPolarHBondContact CE2-OD2 3.38Å; Y78-D102 WeakPolarHBondContact OH-CB 3.45Å; Y78-D102 PolarHBondContact OH-OD2 3.27Å; S98-D102 WeakPolarHBondContact O-CB 3.21Å; S98-D102 PolarHBondContact O-N 2.88Å; L99-D102 PolarHBondContact O-N 3.49Å; D102-S104 PolarHBondContact O-N 2.95Å; D102-A105 VanDerWaalsContact O-CB 3.32Å; D102-A105 WeakPolarHBondContact O-CB 3.27Å; D102-A105 PolarHBondContact O-N 3.41Å; D102-V110 HydrophobicContact CB-CG1 3.85Å; D102-T111 WeakPolarHBondContact O-CA 3.39Å; D102-T111 PolarHBondContact O-OG1 3.01Å; D102-A114 HydrophobicContact CB-CB 3.85Å |
| 103 | L | 94 | Very high | 91.8 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.6 | -18.9 | 171.1 | -72 | 172 | 0 | 0 | 0 | 112.6 | L99 S101 A114 L115 L118 L130 E133 R136 L137 | L99-L103 WeakPolarHBondContact O-CB 3.49Å; L99-L103 WeakPolarHBondContact O-CG 3.38Å; L99-L103 PolarHBondContact O-N 3.01Å; S101-L103 PolarHBondContact O-N 3.47Å; L103-A114 HydrophobicContact CD2-CB 3.93Å; L103-A114 HydrophobicContact CG-CB 4.13Å; L103-L115 HydrophobicContact CD2-CD2 3.63Å; L103-L115 HydrophobicContact CD2-CG 3.71Å; L103-L118 HydrophobicContact CD1-CD2 4.45Å; L103-L130 HydrophobicContact CD1-CB 4.44Å; L103-L130 HydrophobicContact CD1-CD1 4.43Å; L103-L130 HydrophobicContact CD1-CD2 4.23Å; L103-E133 HydrophobicContact CB-CB 4.49Å; L103-E133 HydrophobicContact CD1-CB 3.99Å; L103-R136 PolarHBondContact O-NH2 2.86Å; L103-R136 VanDerWaalsContact O-NH2 3.07Å; L103-L137 HydrophobicContact CB-CD1 4.19Å; L103-L137 HydrophobicContact CD2-CD1 3.61Å; L103-L137 HydrophobicContact CG-CD1 4.44Å |
| 104 | S | 92.4 | Very high | 92.3 | Very high | 71 Ų | 71 | 51.1 Ų | 51.1 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 4.9 | 175.8 | -59.1 | 0 | 0 | 0 | 0 | 113.2 | K100 S101 D102 | K100-S104 PolarHBondContact O-OG 3.25Å; S101-S104 CarbonylContact O-C 3.56Å; S101-S104 PolarHBondContact O-N 2.91Å; S101-S104 VanDerWaalsContact O-N 3.09Å; D102-S104 PolarHBondContact O-N 2.95Å |
| 105 | A | 91.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | trans | -65.4 | 148.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S101 D102 S107 V110 T111 | S101-A105 PolarHBondContact O-N 3.01Å; D102-A105 VanDerWaalsContact O-CB 3.32Å; D102-A105 WeakPolarHBondContact O-CB 3.27Å; D102-A105 PolarHBondContact O-N 3.41Å; A105-S107 VanDerWaalsContact C-N 3.27Å; A105-S107 PolarHBondContact O-N 3.36Å; A105-V110 HydrophobicContact CB-CB 4.18Å; A105-V110 HydrophobicContact CB-CG1 3.91Å; A105-T111 PolarHBondContact O-OG1 3.22Å | ||
| 106 | Q | 90.2 | Very high | 93.1 | Very high | 210 Ų | 210 | 49 Ų | 49 | 98% | 0.981 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -66.9 | -29 | 177.6 | -64.8 | 178.7 | 5 | 0 | 0 | 112.8 | Q108 | Q106-Q108 PolarHBondContact O-N 2.82Š|
| 107 | S | 92.8 | Very high | 93.2 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | trans | -82 | 115.2 | -179.1 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | A105 F109 V110 T111 | A105-S107 VanDerWaalsContact C-N 3.27Å; A105-S107 PolarHBondContact O-N 3.36Å; S107-F109 PolarHBondContact O-N 3.18Å; S107-F109 PolarHBondContact OG-N 2.97Å; S107-V110 PolarHBondContact O-N 3.44Å; S107-T111 PolarHBondContact O-N 3.19Å; S107-T111 VanDerWaalsContact O-N 3.12Å; S107-T111 PolarHBondContact O-OG1 2.88Å | ||
| 108 | Q | 94.1 | Very high | 93.3 | Very high | 70 Ų | 70 | 42.7 Ų | 42.7 | 33% | 0.327 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54.8 | -27.6 | 175 | 65.4 | 178 | -40.8 | 0 | 0 | 113.5 | Q106 G112 N142 Y144 L145 | Q106-Q108 PolarHBondContact O-N 2.82Å; Q108-G112 WeakPolarHBondContact O-CA 3.24Å; Q108-G112 PolarHBondContact O-N 3.42Å; Q108-N142 PolarHBondContact OE1-ND2 3.04Å; Q108-Y144 HydrophobicContact CB-CD1 4.46Å; Q108-Y144 WeakPolarHBondContact O-CE1 3.23Å; Q108-L145 HydrophobicContact CB-CD1 4.35Å; Q108-L145 HydrophobicContact CB-CD2 4.14Å; Q108-L145 HydrophobicContact CB-CG 4.31Å; Q108-L145 WeakPolarHBondContact O-CD2 3.26Å |
| 109 | F | 94.8 | Very high | 93.2 | Very high | 107 Ų | 107 | 42.1 Ų | 42.1 | 47% | 0.469 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -75.4 | -35.8 | 179.3 | -59.6 | -68 | 0 | 0 | 0 | 112.1 | F71 S107 G112 L113 Y144 | F71-F109 HydrophobicContact CD2-CB 4.4Å; F71-F109 HydrophobicContact CE2-CB 3.61Å; F71-F109 HydrophobicContact CZ-CB 4.08Å; S107-F109 PolarHBondContact O-N 3.18Å; S107-F109 PolarHBondContact OG-N 2.97Å; F109-G112 PolarHBondContact O-N 2.9Å; F109-L113 WeakPolarHBondContact O-CG 3.33Å; F109-L113 PolarHBondContact O-N 3.05Å; F109-Y144 HydrophobicContact CD1-CE1 4.4Å |
| 110 | V | 94.6 | Very high | 93.1 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.1 | -48.4 | 175.2 | 175.2 | 0 | 0 | 0 | 0 | 109.7 | F71 K74 D102 A105 S107 G112 L113 A114 | F71-V110 HydrophobicContact CD2-CG2 4.02Å; K74-V110 HydrophobicContact CD-CG1 3.84Å; K74-V110 HydrophobicContact CD-CG2 4.38Å; D102-V110 HydrophobicContact CB-CG1 3.85Å; A105-V110 HydrophobicContact CB-CB 4.18Å; A105-V110 HydrophobicContact CB-CG1 3.91Å; S107-V110 PolarHBondContact O-N 3.44Å; V110-G112 PolarHBondContact O-N 2.92Å; V110-L113 WeakPolarHBondContact O-CB 3.48Å; V110-L113 PolarHBondContact O-N 2.98Å; V110-L113 VanDerWaalsContact O-N 3.08Å; V110-A114 PolarHBondContact O-N 3.03Å |
| 111 | T | 95.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.7 | -39.6 | 172.5 | -50.6 | 0 | 0 | 0 | 0 | 111.4 | D102 A105 S107 L113 A114 L115 L137 L145 | D102-T111 WeakPolarHBondContact O-CA 3.39Å; D102-T111 PolarHBondContact O-OG1 3.01Å; A105-T111 PolarHBondContact O-OG1 3.22Å; S107-T111 PolarHBondContact O-N 3.19Å; S107-T111 VanDerWaalsContact O-N 3.12Å; S107-T111 PolarHBondContact O-OG1 2.88Å; T111-L113 PolarHBondContact O-N 3.41Å; T111-A114 PolarHBondContact O-N 3.32Å; T111-L115 HydrophobicContact CG2-CD1 4.36Å; T111-L115 WeakPolarHBondContact O-CB 3.49Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 3.11Å; T111-L137 HydrophobicContact CG2-CD1 3.72Å; T111-L137 HydrophobicContact CG2-CD2 3.83Å; T111-L137 HydrophobicContact CG2-CG 4.46Å; T111-L145 HydrophobicContact CG2-CD1 4.42Å; T111-L145 HydrophobicContact CG2-CD2 3.89Å |
| 112 | G | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -31.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q108 F109 V110 S116 | Q108-G112 WeakPolarHBondContact O-CA 3.24Å; Q108-G112 PolarHBondContact O-N 3.42Å; F109-G112 PolarHBondContact O-N 2.9Å; V110-G112 PolarHBondContact O-N 2.92Å; G112-S116 WeakPolarHBondContact O-CB 3.27Å; G112-S116 PolarHBondContact O-N 3.47Å |
| 113 | L | 94.4 | Very high | 92.3 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.2 | -46.2 | 171.2 | -73.9 | 172.7 | 0 | 0 | 0 | 110.6 | F71 R75 Y78 F109 V110 T111 L115 S116 A117 | F71-L113 HydrophobicContact CD2-CD1 4.01Å; F71-L113 HydrophobicContact CE2-CD1 3.42Å; F71-L113 VanDerWaalsContact CE2-CD1 3.42Å; F71-L113 HydrophobicContact CE2-CG 4.2Å; F71-L113 HydrophobicContact CZ-CD1 3.97Å; R75-L113 HydrophobicContact CB-CD1 3.97Å; R75-L113 HydrophobicContact CG-CD2 4.28Å; Y78-L113 HydrophobicContact CD2-CB 3.88Å; Y78-L113 HydrophobicContact CE2-CB 4.36Å; F109-L113 WeakPolarHBondContact O-CG 3.33Å; F109-L113 PolarHBondContact O-N 3.05Å; V110-L113 WeakPolarHBondContact O-CB 3.48Å; V110-L113 PolarHBondContact O-N 2.98Å; V110-L113 VanDerWaalsContact O-N 3.08Å; T111-L113 PolarHBondContact O-N 3.41Å; L113-L115 PolarHBondContact O-N 3.18Å; L113-S116 PolarHBondContact O-N 3.41Å; L113-A117 WeakPolarHBondContact O-CB 3.34Å; L113-A117 PolarHBondContact O-N 3.38Å |
| 114 | A | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L99 D102 L103 V110 T111 S116 A117 L118 | L99-A114 HydrophobicContact CD2-CB 3.7Å; L99-A114 WeakPolarHBondContact CD2-O 3.14Å; D102-A114 HydrophobicContact CB-CB 3.85Å; L103-A114 HydrophobicContact CD2-CB 3.93Å; L103-A114 HydrophobicContact CG-CB 4.13Å; V110-A114 PolarHBondContact O-N 3.03Å; T111-A114 PolarHBondContact O-N 3.32Å; A114-S116 VanDerWaalsContact C-N 3.31Å; A114-S116 PolarHBondContact O-N 3.44Å; A114-A117 PolarHBondContact O-N 2.86Å; A114-L118 WeakPolarHBondContact O-CB 3.06Å; A114-L118 PolarHBondContact O-N 3.33Å |
| 115 | L | 94.9 | Very high | 92 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -39.2 | 174.8 | -76.3 | 172.9 | 0 | 0 | 0 | 112.7 | L103 T111 L113 G119 V134 L137 K148 A149 C152 | L103-L115 HydrophobicContact CD2-CD2 3.63Å; L103-L115 HydrophobicContact CD2-CG 3.71Å; T111-L115 HydrophobicContact CG2-CD1 4.36Å; T111-L115 WeakPolarHBondContact O-CB 3.49Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 3.11Å; L113-L115 PolarHBondContact O-N 3.18Å; L115-G119 PolarHBondContact O-N 2.88Å; L115-V134 HydrophobicContact CD2-CG2 4.19Å; L115-L137 HydrophobicContact CD1-CD1 4.12Å; L115-L137 HydrophobicContact CD2-CD1 3.91Å; L115-L137 HydrophobicContact CG-CD1 4.13Å; L115-K148 HydrophobicContact CB-CB 4.1Å; L115-K148 HydrophobicContact CD1-CB 3.91Å; L115-A149 HydrophobicContact CD1-CB 4.18Å; L115-A149 HydrophobicContact CD2-CB 4.37Å; L115-C152 HydrophobicContact CD2-CB 4.21Å |
| 116 | S | 94.1 | Very high | 91.9 | Very high | 60 Ų | 60 | 42 Ų | 42 | 42% | 0.42 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.1 | -40.4 | 179 | -161.9 | 0 | 0 | 0 | 0 | 112.1 | G112 L113 A114 T120 | G112-S116 WeakPolarHBondContact O-CB 3.27Å; G112-S116 PolarHBondContact O-N 3.47Å; L113-S116 PolarHBondContact O-N 3.41Å; A114-S116 VanDerWaalsContact C-N 3.31Å; A114-S116 PolarHBondContact O-N 3.44Å; S116-T120 PolarHBondContact O-N 2.68Å; S116-T120 PolarHBondContact O-OG1 3.11Å |
| 117 | A | 91.7 | Very high | 92 | Very high | 5 Ų | 5 | 32 Ų | 32 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.2 | -49.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y78 L99 L113 A114 G119 T120 I121 | Y78-A117 HydrophobicContact CD1-CB 3.34Å; Y78-A117 HydrophobicContact CE1-CB 3.97Å; Y78-A117 HydrophobicContact CG-CB 3.99Å; L99-A117 HydrophobicContact CD2-CB 4.37Å; L113-A117 WeakPolarHBondContact O-CB 3.34Å; L113-A117 PolarHBondContact O-N 3.38Å; A114-A117 PolarHBondContact O-N 2.86Å; A117-G119 VanDerWaalsContact C-N 3.32Å; A117-G119 PolarHBondContact O-N 3.34Å; A117-T120 WeakPolarHBondContact O-CA 3.5Å; A117-T120 PolarHBondContact O-N 3.49Å; A117-I121 HydrophobicContact CB-CD1 4.5Å; A117-I121 WeakPolarHBondContact O-CG1 3.32Å; A117-I121 PolarHBondContact O-N 2.89Å |
| 118 | L | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.3 | -44.3 | 176.9 | -178.2 | 57.7 | 0 | 0 | 0 | 111.7 | L99 L103 A114 T120 C122 M126 L130 V134 | L99-L118 HydrophobicContact CD1-CB 4.45Å; L99-L118 HydrophobicContact CD1-CD1 4.34Å; L103-L118 HydrophobicContact CD1-CD2 4.45Å; A114-L118 WeakPolarHBondContact O-CB 3.06Å; A114-L118 PolarHBondContact O-N 3.33Å; L118-T120 PolarHBondContact O-N 3.34Å; L118-T120 VanDerWaalsContact O-N 3.09Å; L118-C122 HydrophobicContact CD1-CB 4.29Å; L118-C122 WeakPolarHBondContact O-CB 3.06Å; L118-C122 PolarHBondContact O-N 2.88Å; L118-M126 HydrophobicContact CD1-CB 4.41Å; L118-M126 HydrophobicContact CD1-CE 4.27Å; L118-L130 HydrophobicContact CD1-CD1 3.87Å; L118-L130 HydrophobicContact CD2-CB 3.94Å; L118-L130 HydrophobicContact CD2-CD1 3.93Å; L118-V134 HydrophobicContact CD2-CG2 3.79Å |
| 119 | G | 89.7 | Confident | 91.9 | Very high | 22 Ų | 22 | 36.1 Ų | 36.1 | 23% | 0.227 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -11.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L115 A117 R155 | L115-G119 PolarHBondContact O-N 2.88Å; A117-G119 VanDerWaalsContact C-N 3.32Å; A117-G119 PolarHBondContact O-N 3.34Å; G119-R155 WeakPolarHBondContact O-CG 3.42Å |
| 120 | T | 90 | Very high | 91.8 | Very high | 77 Ų | 77 | 31.1 Ų | 31.1 | 47% | 0.472 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -106.5 | -48.2 | 179.4 | -48.4 | 0 | 0 | 0 | 0 | 112 | A82 S116 A117 L118 | A82-T120 HydrophobicContact CB-CG2 4.21Å; S116-T120 PolarHBondContact O-N 2.68Å; S116-T120 PolarHBondContact O-OG1 3.11Å; A117-T120 WeakPolarHBondContact O-CA 3.5Å; A117-T120 PolarHBondContact O-N 3.49Å; L118-T120 PolarHBondContact O-N 3.34Å; L118-T120 VanDerWaalsContact O-N 3.09Å |
| 121 | I | 87.8 | Confident | 91.7 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.062 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -95.8 | 1.5 | -171.6 | 73.7 | -171.2 | 0 | 0 | 0 | 114.8 | A81 A82 I95 A117 S123 M126 | A81-I121 HydrophobicContact CB-CD1 4.46Å; A82-I121 HydrophobicContact CB-CG2 4.24Å; I95-I121 HydrophobicContact CD1-CD1 4.15Å; I95-I121 HydrophobicContact CG2-CD1 4.3Å; A117-I121 HydrophobicContact CB-CD1 4.5Å; A117-I121 WeakPolarHBondContact O-CG1 3.32Å; A117-I121 PolarHBondContact O-N 2.89Å; I121-S123 PolarHBondContact O-N 3Å; I121-S123 VanDerWaalsContact O-N 3.16Å; I121-M126 HydrophobicContact CD1-CE 4.23Å; I121-M126 HydrophobicContact CG1-CE 4.17Å |
| 122 | C | 85.6 | Confident | 91.6 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | trans | -52.6 | 119 | -172.5 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | L118 R155 K159 | L118-C122 HydrophobicContact CD1-CB 4.29Å; L118-C122 WeakPolarHBondContact O-CB 3.06Å; L118-C122 PolarHBondContact O-N 2.88Å; C122-R155 WeakPolarHBondContact SG-CG 3.37Å; C122-K159 WeakPolarHBondContact O-CE 3.38Å | ||
| 123 | S | 89.5 | Confident | 91.6 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | trans | -90.1 | 168 | 159.4 | 66.5 | 0 | 0 | 0 | 0 | 111.1 | H92 I121 E125 M126 C127 | H92-S123 PolarHBondContact CD2-OG 3.15Å; H92-S123 WeakPolarHBondContact NE2-CB 3.47Å; H92-S123 PolarHBondContact NE2-OG 3.28Å; I121-S123 PolarHBondContact O-N 3Å; I121-S123 VanDerWaalsContact O-N 3.16Å; S123-E125 VanDerWaalsContact C-N 3.3Å; S123-E125 PolarHBondContact O-N 3.46Å; S123-M126 PolarHBondContact O-N 3.03Å; S123-M126 VanDerWaalsContact OG-CG 3.3Å; S123-M126 WeakPolarHBondContact OG-CG 3.25Å; S123-M126 PolarHBondContact OG-N 3.47Å; S123-C127 PolarHBondContact O-N 2.98Å; S123-C127 PolarHBondContact O-SG 2.76Å | ||
| 124 | Q | 90.8 | Very high | 91.6 | Very high | 104 Ų | 104 | 32.9 Ų | 32.9 | 49% | 0.486 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.3 | -40 | 179.6 | -67.3 | -177.5 | -3.4 | 0 | 0 | 112.1 | C127 R128 V160 | Q124-C127 WeakPolarHBondContact O-CB 3.2Å; Q124-C127 PolarHBondContact O-N 3.33Å; Q124-R128 PolarHBondContact O-N 3.5Å; Q124-R128 VanDerWaalsContact O-N 3.14Å; Q124-V160 HydrophobicContact CB-CG2 3.98Å; Q124-V160 HydrophobicContact CG-CG2 4.07Å |
| 125 | E | 88.9 | Confident | 91.6 | Very high | 93 Ų | 93 | 34.6 Ų | 34.6 | 44% | 0.435 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.1 | -45 | 178.6 | -56.1 | -50.4 | 146.7 | 0 | 0 | 111.9 | L93 S123 C127 R128 D129 | L93-E125 HydrophobicContact CD2-CB 4.1Å; S123-E125 VanDerWaalsContact C-N 3.3Å; S123-E125 PolarHBondContact O-N 3.46Å; E125-C127 PolarHBondContact O-N 3.46Å; E125-R128 PolarHBondContact O-N 3.36Å; E125-R128 VanDerWaalsContact O-N 3.12Å; E125-R128 IonicContact OE1-NH1 3.35Å; E125-R128 PolarHBondContact OE1-NH1 2.94Å; E125-R128 VanDerWaalsContact OE1-NH1 3.14Å; E125-R128 IonicContact OE2-NH1 2.63Å; E125-R128 PolarHBondContact OE2-NH1 3.36Å; E125-D129 PolarHBondContact O-N 3.32Å |
| 126 | M | 90.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.6 | -36.9 | 174 | -68.6 | 178.8 | 79.7 | 0 | 0 | 112.6 | L93 T96 L99 L118 I121 S123 L130 | L93-M126 HydrophobicContact CD2-CG 4.18Å; T96-M126 WeakPolarHBondContact OG1-CG 3.37Å; L99-M126 HydrophobicContact CD1-CE 3.24Å; L118-M126 HydrophobicContact CD1-CB 4.41Å; L118-M126 HydrophobicContact CD1-CE 4.27Å; I121-M126 HydrophobicContact CD1-CE 4.23Å; I121-M126 HydrophobicContact CG1-CE 4.17Å; S123-M126 PolarHBondContact O-N 3.03Å; S123-M126 VanDerWaalsContact OG-CG 3.3Å; S123-M126 WeakPolarHBondContact OG-CG 3.25Å; S123-M126 PolarHBondContact OG-N 3.47Å; M126-L130 WeakPolarHBondContact O-CB 3.48Å; M126-L130 WeakPolarHBondContact O-CG 3.37Å; M126-L130 PolarHBondContact O-N 3.47Å; M126-L130 VanDerWaalsContact O-N 3.07Å |
| 127 | C | 91.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 176.7 | -71 | 0 | 0 | 0 | 0 | 111.1 | S123 Q124 E125 A131 I156 V160 | S123-C127 PolarHBondContact O-N 2.98Å; S123-C127 PolarHBondContact O-SG 2.76Å; Q124-C127 WeakPolarHBondContact O-CB 3.2Å; Q124-C127 PolarHBondContact O-N 3.33Å; E125-C127 PolarHBondContact O-N 3.46Å; C127-A131 WeakPolarHBondContact O-CB 3.21Å; C127-A131 PolarHBondContact O-N 3.14Å; C127-I156 HydrophobicContact CB-CG1 4.28Å; C127-I156 HydrophobicContact CB-CG2 4.08Å; C127-V160 HydrophobicContact CB-CG2 3.89Å |
| 128 | R | 92 | Very high | 91.6 | Very high | 118 Ų | 118 | 37 Ų | 37 | 45% | 0.445 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 178.4 | -70.1 | 178.4 | 177.9 | 138.2 | -0.6 | 111.7 | Q124 E125 L163 | Q124-R128 PolarHBondContact O-N 3.5Å; Q124-R128 VanDerWaalsContact O-N 3.14Å; E125-R128 PolarHBondContact O-N 3.36Å; E125-R128 VanDerWaalsContact O-N 3.12Å; E125-R128 IonicContact OE1-NH1 3.35Å; E125-R128 PolarHBondContact OE1-NH1 2.94Å; E125-R128 VanDerWaalsContact OE1-NH1 3.14Å; E125-R128 IonicContact OE2-NH1 2.63Å; E125-R128 PolarHBondContact OE2-NH1 3.36Å; R128-L163 HydrophobicContact CG-CD1 4.34Å |
| 129 | D | 92 | Very high | 91.6 | Very high | 91 Ų | 91 | 43.3 Ų | 43.3 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.1 | -34.1 | -177.3 | -72.8 | -17.4 | 0 | 0 | 0 | 114 | T96 E125 | T96-D129 HydrophobicContact CG2-CB 3.89Å; E125-D129 PolarHBondContact O-N 3.32Å |
| 130 | L | 93.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -108.2 | -3.4 | -171.5 | -59.6 | 176.6 | 0 | 0 | 0 | 114.2 | T96 L99 K100 L103 L118 M126 S132 E133 V134 | T96-L130 HydrophobicContact CG2-CD1 4.26Å; T96-L130 HydrophobicContact CG2-CD2 4.3Å; T96-L130 HydrophobicContact CG2-CG 4.16Å; L99-L130 HydrophobicContact CB-CD1 3.78Å; L99-L130 HydrophobicContact CD1-CD1 3.96Å; K100-L130 HydrophobicContact CB-CD2 3.75Å; K100-L130 HydrophobicContact CG-CD2 4.2Å; L103-L130 HydrophobicContact CD1-CB 4.44Å; L103-L130 HydrophobicContact CD1-CD1 4.43Å; L103-L130 HydrophobicContact CD1-CD2 4.23Å; L118-L130 HydrophobicContact CD1-CD1 3.87Å; L118-L130 HydrophobicContact CD2-CB 3.94Å; L118-L130 HydrophobicContact CD2-CD1 3.93Å; M126-L130 WeakPolarHBondContact O-CB 3.48Å; M126-L130 WeakPolarHBondContact O-CG 3.37Å; M126-L130 PolarHBondContact O-N 3.47Å; M126-L130 VanDerWaalsContact O-N 3.07Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 3Å; L130-E133 PolarHBondContact O-N 3.44Å; L130-E133 VanDerWaalsContact O-N 3.15Å; L130-V134 PolarHBondContact O-N 2.93Å; L130-V134 VanDerWaalsContact O-N 3.12Å |
| 131 | A | 93.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.8 | -42.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C127 E133 V134 E135 L163 Y167 | C127-A131 WeakPolarHBondContact O-CB 3.21Å; C127-A131 PolarHBondContact O-N 3.14Å; A131-E133 VanDerWaalsContact C-N 3.31Å; A131-E133 PolarHBondContact O-N 3.37Å; A131-V134 PolarHBondContact O-N 3.11Å; A131-E135 PolarHBondContact O-N 3.17Å; A131-L163 HydrophobicContact CB-CD1 4Å; A131-Y167 PolarHBondContact O-OH 3.2Å |
| 132 | S | 93.2 | Very high | 91.8 | Very high | 62 Ų | 62 | 47.7 Ų | 47.7 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63 | -36 | 178.9 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | L130 E135 R136 | L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 3Å; S132-E135 PolarHBondContact O-N 3.08Å; S132-R136 PolarHBondContact O-N 3.4Å |
| 133 | E | 93.7 | Very high | 92.1 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 175.6 | -64.8 | -59.5 | 158.5 | 0 | 0 | 112 | L103 L130 A131 R136 L137 | L103-E133 HydrophobicContact CB-CB 4.49Å; L103-E133 HydrophobicContact CD1-CB 3.99Å; L130-E133 PolarHBondContact O-N 3.44Å; L130-E133 VanDerWaalsContact O-N 3.15Å; A131-E133 VanDerWaalsContact C-N 3.31Å; A131-E133 PolarHBondContact O-N 3.37Å; E133-R136 PolarHBondContact O-N 2.74Å; E133-R136 IonicContact OE2-CZ 3.22Å; E133-R136 VanDerWaalsContact OE2-CZ 3.27Å; E133-R136 IonicContact OE2-NE 3.74Å; E133-R136 PolarHBondContact OE2-NE 3.42Å; E133-R136 IonicContact OE2-NH2 2.76Å; E133-R136 PolarHBondContact OE2-NH2 2.74Å; E133-L137 WeakPolarHBondContact O-CG 3.44Å; E133-L137 PolarHBondContact O-N 2.98Å |
| 134 | V | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 175.5 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | L115 L118 L130 A131 R136 L137 L138 A149 C152 A153 I156 Y167 | L115-V134 HydrophobicContact CD2-CG2 4.19Å; L118-V134 HydrophobicContact CD2-CG2 3.79Å; L130-V134 PolarHBondContact O-N 2.93Å; L130-V134 VanDerWaalsContact O-N 3.12Å; A131-V134 PolarHBondContact O-N 3.11Å; V134-R136 PolarHBondContact O-N 3.22Å; V134-L137 PolarHBondContact O-N 3.24Å; V134-L138 WeakPolarHBondContact O-CB 3.42Å; V134-L138 PolarHBondContact O-N 3.1Å; V134-A149 HydrophobicContact CG1-CB 4.43Å; V134-A149 WeakPolarHBondContact CG1-O 3.17Å; V134-C152 HydrophobicContact CG1-CB 4.2Å; V134-A153 HydrophobicContact CG1-CB 4.08Å; V134-I156 HydrophobicContact CB-CD1 4.19Å; V134-I156 HydrophobicContact CG1-CD1 4.34Å; V134-I156 HydrophobicContact CG2-CD1 3.86Å; V134-Y167 HydrophobicContact CG1-CE1 4.33Å |
| 135 | E | 94 | Very high | 92.5 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 174 | -166.5 | -154.5 | 144.8 | 0 | 0 | 111.7 | A131 S132 L137 L138 K139 Y167 V170 | A131-E135 PolarHBondContact O-N 3.17Å; S132-E135 PolarHBondContact O-N 3.08Å; E135-L137 VanDerWaalsContact C-N 3.35Å; E135-L137 PolarHBondContact O-N 2.96Å; E135-L138 WeakPolarHBondContact O-CB 3.49Å; E135-L138 PolarHBondContact O-N 3.48Å; E135-K139 PolarHBondContact O-N 3.2Å; E135-K139 WeakPolarHBondContact OE1-CE 3.24Å; E135-K139 IonicContact OE1-NZ 3.46Å; E135-K139 PolarHBondContact OE1-NZ 3.2Å; E135-Y167 HydrophobicContact CB-CE1 4.15Å; E135-V170 HydrophobicContact CG-CG2 4.04Å |
| 136 | R | 94.2 | Very high | 92.7 | Very high | 112 Ų | 112 | 44.3 Ų | 44.3 | 42% | 0.423 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 175 | -177 | -175.9 | 61.9 | 73.5 | 1.7 | 111.7 | L103 S132 E133 V134 L138 K139 S140 | L103-R136 PolarHBondContact O-NH2 2.86Å; L103-R136 VanDerWaalsContact O-NH2 3.07Å; S132-R136 PolarHBondContact O-N 3.4Å; E133-R136 PolarHBondContact O-N 2.74Å; E133-R136 IonicContact OE2-CZ 3.22Å; E133-R136 VanDerWaalsContact OE2-CZ 3.27Å; E133-R136 IonicContact OE2-NE 3.74Å; E133-R136 PolarHBondContact OE2-NE 3.42Å; E133-R136 IonicContact OE2-NH2 2.76Å; E133-R136 PolarHBondContact OE2-NH2 2.74Å; V134-R136 PolarHBondContact O-N 3.22Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-K139 PolarHBondContact O-N 2.85Å; R136-S140 PolarHBondContact O-N 3.42Å |
| 137 | L | 93.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.9 | -29.4 | 178.9 | -70.8 | 170.8 | 0 | 0 | 0 | 112.7 | L103 T111 L115 E133 V134 E135 K139 S140 A149 | L103-L137 HydrophobicContact CB-CD1 4.19Å; L103-L137 HydrophobicContact CD2-CD1 3.61Å; L103-L137 HydrophobicContact CG-CD1 4.44Å; T111-L137 HydrophobicContact CG2-CD1 3.72Å; T111-L137 HydrophobicContact CG2-CD2 3.83Å; T111-L137 HydrophobicContact CG2-CG 4.46Å; L115-L137 HydrophobicContact CD1-CD1 4.12Å; L115-L137 HydrophobicContact CD2-CD1 3.91Å; L115-L137 HydrophobicContact CG-CD1 4.13Å; E133-L137 WeakPolarHBondContact O-CG 3.44Å; E133-L137 PolarHBondContact O-N 2.98Å; V134-L137 PolarHBondContact O-N 3.24Å; E135-L137 VanDerWaalsContact C-N 3.35Å; E135-L137 PolarHBondContact O-N 2.96Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 3.41Å; L137-S140 VanDerWaalsContact O-CB 3.26Å; L137-S140 WeakPolarHBondContact O-CB 3.47Å; L137-S140 PolarHBondContact O-N 3.09Å; L137-S140 PolarHBondContact O-OG 2.82Å; L137-A149 HydrophobicContact CB-CB 4.11Å |
| 138 | L | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67 | -29.8 | 174.8 | -167.1 | 62.6 | 0 | 0 | 0 | 112.5 | V134 E135 R136 S140 R146 A149 A150 Y167 V170 L174 L189 | V134-L138 WeakPolarHBondContact O-CB 3.42Å; V134-L138 PolarHBondContact O-N 3.1Å; E135-L138 WeakPolarHBondContact O-CB 3.49Å; E135-L138 PolarHBondContact O-N 3.48Å; R136-L138 VanDerWaalsContact C-N 3.33Å; L138-S140 VanDerWaalsContact C-N 3.34Å; L138-R146 PolarHBondContact O-NE 3.49Å; L138-A149 HydrophobicContact CB-CB 4.27Å; L138-A149 HydrophobicContact CD1-CB 4.16Å; L138-A150 HydrophobicContact CD1-CB 3.77Å; L138-Y167 HydrophobicContact CD2-CD1 4.24Å; L138-V170 HydrophobicContact CB-CG1 4.05Å; L138-V170 HydrophobicContact CD2-CB 4.01Å; L138-V170 HydrophobicContact CD2-CG1 3.61Å; L138-V170 HydrophobicContact CG-CG1 3.61Å; L138-L174 HydrophobicContact CD1-CD1 3.97Å; L138-L174 HydrophobicContact CD1-CD2 3.98Å; L138-L174 HydrophobicContact CD2-CD1 4.29Å; L138-L174 HydrophobicContact CG-CD1 4.36Å; L138-L174 HydrophobicContact CG-CD2 4.45Å; L138-L189 HydrophobicContact CD2-CD2 4.2Å |
| 139 | K | 91.7 | Very high | 93.2 | Very high | 131 Ų | 131 | 45 Ų | 45 | 57% | 0.57 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -7 | 173.3 | -68.4 | 170.2 | 174.7 | 165.4 | 0 | 114.1 | E135 R136 L137 V170 | E135-K139 PolarHBondContact O-N 3.2Å; E135-K139 WeakPolarHBondContact OE1-CE 3.24Å; E135-K139 IonicContact OE1-NZ 3.46Å; E135-K139 PolarHBondContact OE1-NZ 3.2Å; R136-K139 PolarHBondContact O-N 2.85Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 3.41Å; K139-V170 HydrophobicContact CD-CG2 4.39Å; K139-V170 VanDerWaalsContact CE-CG2 3.43Å; K139-V170 HydrophobicContact CG-CG1 3.9Å; K139-V170 HydrophobicContact CG-CG2 4.13Å |
| 140 | S | 90.1 | Very high | 93.3 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 22% | 0.217 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -65.3 | 157.3 | 178.9 | 72.3 | 0 | 0 | 0 | 0 | 111.9 | R136 L137 L138 N142 R146 | R136-S140 PolarHBondContact O-N 3.42Å; L137-S140 VanDerWaalsContact O-CB 3.26Å; L137-S140 WeakPolarHBondContact O-CB 3.47Å; L137-S140 PolarHBondContact O-N 3.09Å; L137-S140 PolarHBondContact O-OG 2.82Å; L138-S140 VanDerWaalsContact C-N 3.34Å; S140-N142 VanDerWaalsContact C-N 3.32Å; S140-R146 WeakPolarHBondContact O-CD 3.1Å; S140-R146 VanDerWaalsContact O-CG 3.28Å; S140-R146 WeakPolarHBondContact O-CG 3.42Å |
| 141 | S | 88.9 | Confident | 93.4 | Very high | 124 Ų | 124 | 45 Ų | 45 | 87% | 0.867 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -79.6 | -12.6 | 176.2 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | A143 | S141-A143 PolarHBondContact O-N 3.46Š|
| 142 | N | 92.6 | Very high | 93.5 | Very high | 49 Ų | 49 | 45 Ų | 45 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | trans | -82.7 | 110.6 | -173.5 | -175.2 | -17.7 | 0 | 0 | 0 | 111.7 | Q108 S140 Y144 L145 R146 | Q108-N142 PolarHBondContact OE1-ND2 3.04Å; S140-N142 VanDerWaalsContact C-N 3.32Å; N142-Y144 PolarHBondContact O-N 3.43Å; N142-Y144 WeakPolarHBondContact OD1-CB 3.34Å; N142-Y144 PolarHBondContact OD1-N 3.15Å; N142-L145 HydrophobicContact CB-CB 4.32Å; N142-L145 HydrophobicContact CB-CD1 4.2Å; N142-L145 HydrophobicContact CB-CG 4.22Å; N142-L145 PolarHBondContact O-N 3.3Å; N142-L145 VanDerWaalsContact O-N 3.07Å; N142-R146 WeakPolarHBondContact O-CG 3.44Å; N142-R146 PolarHBondContact O-N 3.29Å | ||
| 143 | A | 92.5 | Very high | 93.6 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.2 | -34.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | S141 K147 N179 V182 | S141-A143 PolarHBondContact O-N 3.46Å; A143-K147 WeakPolarHBondContact O-CG 3.33Å; A143-K147 PolarHBondContact O-N 3.12Å; A143-N179 HydrophobicContact CB-CB 4.38Å; A143-V182 HydrophobicContact CB-CG2 3.8Å |
| 144 | Y | 93.8 | Very high | 93.6 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 27% | 0.267 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 178.2 | 175.7 | -99.2 | 0 | 0 | 0 | 112.5 | Q108 F109 N142 K147 K148 | Q108-Y144 HydrophobicContact CB-CD1 4.46Å; Q108-Y144 WeakPolarHBondContact O-CE1 3.23Å; F109-Y144 HydrophobicContact CD1-CE1 4.4Å; N142-Y144 PolarHBondContact O-N 3.43Å; N142-Y144 WeakPolarHBondContact OD1-CB 3.34Å; N142-Y144 PolarHBondContact OD1-N 3.15Å; Y144-K147 WeakPolarHBondContact O-CG 3.4Å; Y144-K148 HydrophobicContact CE1-CD 4.22Å; Y144-K148 VanDerWaalsContact CZ-CE 3.42Å; Y144-K148 VanDerWaalsContact OH-CE 3.29Å; Y144-K148 WeakPolarHBondContact OH-CE 3.25Å |
| 145 | L | 94.5 | Very high | 93.5 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -77.1 | -44.5 | 177.6 | -63.9 | -178.8 | 0 | 0 | 0 | 111 | Q108 T111 N142 K147 K148 A149 | Q108-L145 HydrophobicContact CB-CD1 4.35Å; Q108-L145 HydrophobicContact CB-CD2 4.14Å; Q108-L145 HydrophobicContact CB-CG 4.31Å; Q108-L145 WeakPolarHBondContact O-CD2 3.26Å; T111-L145 HydrophobicContact CG2-CD1 4.42Å; T111-L145 HydrophobicContact CG2-CD2 3.89Å; N142-L145 HydrophobicContact CB-CB 4.32Å; N142-L145 HydrophobicContact CB-CD1 4.2Å; N142-L145 HydrophobicContact CB-CG 4.22Å; N142-L145 PolarHBondContact O-N 3.3Å; N142-L145 VanDerWaalsContact O-N 3.07Å; L145-K147 PolarHBondContact O-N 3.32Å; L145-K148 PolarHBondContact O-N 2.83Å; L145-K148 VanDerWaalsContact O-N 3.13Å; L145-A149 WeakPolarHBondContact O-CB 3.28Å; L145-A149 PolarHBondContact O-N 3.31Å |
| 146 | R | 93.9 | Very high | 93.5 | Very high | 18 Ų | 18 | 44 Ų | 44 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57 | -45.4 | -178.7 | -70.6 | -177.6 | 87.5 | 173.2 | -9.8 | 113.1 | L138 S140 N142 K148 A149 A150 E177 V182 | L138-R146 PolarHBondContact O-NE 3.49Å; S140-R146 WeakPolarHBondContact O-CD 3.1Å; S140-R146 VanDerWaalsContact O-CG 3.28Å; S140-R146 WeakPolarHBondContact O-CG 3.42Å; N142-R146 WeakPolarHBondContact O-CG 3.44Å; N142-R146 PolarHBondContact O-N 3.29Å; R146-K148 VanDerWaalsContact C-N 3.28Å; R146-K148 PolarHBondContact O-N 2.98Å; R146-A149 PolarHBondContact O-N 2.9Å; R146-A150 WeakPolarHBondContact O-CB 3.13Å; R146-A150 PolarHBondContact O-N 2.88Å; R146-E177 IonicContact CZ-OE1 3.14Å; R146-E177 IonicContact NH1-OE1 3.48Å; R146-E177 PolarHBondContact NH1-OE1 3.39Å; R146-E177 IonicContact NH1-OE2 2.85Å; R146-E177 IonicContact NH2-OE1 3.9Å; R146-E177 PolarHBondContact NH2-OE1 3.27Å; R146-V182 HydrophobicContact CB-CG1 4.12Å; R146-V182 HydrophobicContact CB-CG2 4.19Å |
| 147 | K | 93.8 | Very high | 93.5 | Very high | 80 Ų | 80 | 38.7 Ų | 38.7 | 35% | 0.348 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.4 | -36 | 179.4 | 69.9 | -174 | -177.6 | -178.4 | 0 | 112.8 | A143 Y144 L145 L151 V182 S185 | A143-K147 WeakPolarHBondContact O-CG 3.33Å; A143-K147 PolarHBondContact O-N 3.12Å; Y144-K147 WeakPolarHBondContact O-CG 3.4Å; L145-K147 PolarHBondContact O-N 3.32Å; K147-L151 WeakPolarHBondContact O-CG 3.42Å; K147-L151 PolarHBondContact O-N 3.19Å; K147-V182 HydrophobicContact CB-CG2 4.41Å; K147-S185 WeakPolarHBondContact CA-OG 3.17Å |
| 148 | K | 95.2 | Very high | 93.5 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 22% | 0.222 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75 | -41 | 176.2 | -71.8 | 177.5 | 170.5 | -73.9 | 0 | 111.6 | L115 Y144 L145 R146 A150 L151 C152 | L115-K148 HydrophobicContact CB-CB 4.1Å; L115-K148 HydrophobicContact CD1-CB 3.91Å; Y144-K148 HydrophobicContact CE1-CD 4.22Å; Y144-K148 VanDerWaalsContact CZ-CE 3.42Å; Y144-K148 VanDerWaalsContact OH-CE 3.29Å; Y144-K148 WeakPolarHBondContact OH-CE 3.25Å; L145-K148 PolarHBondContact O-N 2.83Å; L145-K148 VanDerWaalsContact O-N 3.13Å; R146-K148 VanDerWaalsContact C-N 3.28Å; R146-K148 PolarHBondContact O-N 2.98Å; K148-A150 VanDerWaalsContact C-N 3.33Å; K148-L151 PolarHBondContact O-N 3.49Å; K148-C152 VanDerWaalsContact O-CB 3.28Å; K148-C152 WeakPolarHBondContact O-CB 3.37Å; K148-C152 PolarHBondContact O-N 2.62Å |
| 149 | A | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L115 V134 L137 L138 L145 R146 C152 A153 | L115-A149 HydrophobicContact CD1-CB 4.18Å; L115-A149 HydrophobicContact CD2-CB 4.37Å; V134-A149 HydrophobicContact CG1-CB 4.43Å; V134-A149 WeakPolarHBondContact CG1-O 3.17Å; L137-A149 HydrophobicContact CB-CB 4.11Å; L138-A149 HydrophobicContact CB-CB 4.27Å; L138-A149 HydrophobicContact CD1-CB 4.16Å; L145-A149 WeakPolarHBondContact O-CB 3.28Å; L145-A149 PolarHBondContact O-N 3.31Å; R146-A149 PolarHBondContact O-N 2.9Å; A149-C152 PolarHBondContact O-N 3.39Å; A149-A153 WeakPolarHBondContact O-CB 2.97Å; A149-A153 PolarHBondContact O-N 3.01Å |
| 150 | A | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L138 R146 K148 A153 L154 L174 S185 | L138-A150 HydrophobicContact CD1-CB 3.77Å; R146-A150 WeakPolarHBondContact O-CB 3.13Å; R146-A150 PolarHBondContact O-N 2.88Å; K148-A150 VanDerWaalsContact C-N 3.33Å; A150-A153 PolarHBondContact O-N 3.24Å; A150-L154 WeakPolarHBondContact O-CB 3.46Å; A150-L154 PolarHBondContact O-N 2.76Å; A150-L174 HydrophobicContact CB-CD1 4.5Å; A150-S185 WeakPolarHBondContact CB-OG 3.08Å |
| 151 | L | 95 | Very high | 93.5 | Very high | 93 Ų | 93 | 40.2 Ų | 40.2 | 49% | 0.487 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.6 | -34 | 175.7 | -66 | 177 | 0 | 0 | 0 | 112.6 | K147 K148 L154 R155 | K147-L151 WeakPolarHBondContact O-CG 3.42Å; K147-L151 PolarHBondContact O-N 3.19Å; K148-L151 PolarHBondContact O-N 3.49Å; L151-L154 HydrophobicContact CD2-CD1 4.45Å; L151-L154 WeakPolarHBondContact O-CB 3.27Å; L151-L154 PolarHBondContact O-N 3.29Å; L151-R155 PolarHBondContact O-N 2.96Å; L151-R155 VanDerWaalsContact O-N 3.07Å |
| 152 | C | 95 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -45.8 | 172.6 | -170.3 | 0 | 0 | 0 | 0 | 111 | L115 V134 K148 A149 L154 R155 I156 | L115-C152 HydrophobicContact CD2-CB 4.21Å; V134-C152 HydrophobicContact CG1-CB 4.2Å; K148-C152 VanDerWaalsContact O-CB 3.28Å; K148-C152 WeakPolarHBondContact O-CB 3.37Å; K148-C152 PolarHBondContact O-N 2.62Å; A149-C152 PolarHBondContact O-N 3.39Å; C152-L154 VanDerWaalsContact C-N 3.32Å; C152-L154 PolarHBondContact O-N 3.31Å; C152-R155 PolarHBondContact O-N 3.28Å; C152-R155 VanDerWaalsContact O-N 3.14Å; C152-I156 WeakPolarHBondContact O-CG1 3.49Å; C152-I156 PolarHBondContact O-N 3.41Å |
| 153 | A | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -41.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V134 A149 A150 R155 I156 I157 Y167 L189 | V134-A153 HydrophobicContact CG1-CB 4.08Å; A149-A153 WeakPolarHBondContact O-CB 2.97Å; A149-A153 PolarHBondContact O-N 3.01Å; A150-A153 PolarHBondContact O-N 3.24Å; A153-R155 VanDerWaalsContact C-N 3.31Å; A153-R155 PolarHBondContact O-N 3.14Å; A153-I156 PolarHBondContact O-N 3.4Å; A153-I157 WeakPolarHBondContact O-CG1 3.33Å; A153-I157 PolarHBondContact O-N 3.42Å; A153-Y167 HydrophobicContact CB-CD1 3.83Å; A153-Y167 HydrophobicContact CB-CE1 3.6Å; A153-Y167 HydrophobicContact CB-CE2 4.48Å; A153-Y167 HydrophobicContact CB-CG 4.36Å; A153-L189 HydrophobicContact CB-CD1 3.99Å; A153-L189 HydrophobicContact CB-CD2 4.3Å |
| 154 | L | 94.2 | Very high | 93.4 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 14% | 0.136 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 174.3 | -179.1 | 165.8 | 0 | 0 | 0 | 110.6 | A150 L151 C152 I157 K158 C188 L189 E192 | A150-L154 WeakPolarHBondContact O-CB 3.46Å; A150-L154 PolarHBondContact O-N 2.76Å; L151-L154 HydrophobicContact CD2-CD1 4.45Å; L151-L154 WeakPolarHBondContact O-CB 3.27Å; L151-L154 PolarHBondContact O-N 3.29Å; C152-L154 VanDerWaalsContact C-N 3.32Å; C152-L154 PolarHBondContact O-N 3.31Å; L154-I157 PolarHBondContact O-N 3.41Å; L154-K158 HydrophobicContact CD2-CD 3.87Å; L154-K158 HydrophobicContact CD2-CG 4.27Å; L154-K158 PolarHBondContact O-N 3.01Å; L154-C188 HydrophobicContact CD1-CB 3.78Å; L154-C188 WeakPolarHBondContact CD1-O 3.48Å; L154-L189 HydrophobicContact CB-CD1 4.05Å; L154-E192 HydrophobicContact CG-CB 4.12Å; L154-E192 HydrophobicContact CG-CG 4.43Å |
| 155 | R | 93 | Very high | 93.1 | Very high | 82 Ų | 82 | 42.4 Ų | 42.4 | 31% | 0.309 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 177.6 | -174.1 | 70.8 | 171 | 164.4 | -3.4 | 112.3 | G119 C122 L151 C152 A153 I157 K158 K159 | G119-R155 WeakPolarHBondContact O-CG 3.42Å; C122-R155 WeakPolarHBondContact SG-CG 3.37Å; L151-R155 PolarHBondContact O-N 2.96Å; L151-R155 VanDerWaalsContact O-N 3.07Å; C152-R155 PolarHBondContact O-N 3.28Å; C152-R155 VanDerWaalsContact O-N 3.14Å; A153-R155 VanDerWaalsContact C-N 3.31Å; A153-R155 PolarHBondContact O-N 3.14Å; R155-I157 VanDerWaalsContact C-N 3.35Å; R155-K158 WeakPolarHBondContact O-CB 3.38Å; R155-K158 PolarHBondContact O-N 3.07Å; R155-K159 PolarHBondContact O-N 3.04Å; R155-K159 VanDerWaalsContact O-N 3.09Å |
| 156 | I | 94.1 | Very high | 93 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -47.3 | 175.3 | -72.3 | 168.5 | 0 | 0 | 0 | 110.2 | C127 V134 C152 A153 K158 K159 V160 L163 Y167 | C127-I156 HydrophobicContact CB-CG1 4.28Å; C127-I156 HydrophobicContact CB-CG2 4.08Å; V134-I156 HydrophobicContact CB-CD1 4.19Å; V134-I156 HydrophobicContact CG1-CD1 4.34Å; V134-I156 HydrophobicContact CG2-CD1 3.86Å; C152-I156 WeakPolarHBondContact O-CG1 3.49Å; C152-I156 PolarHBondContact O-N 3.41Å; A153-I156 PolarHBondContact O-N 3.4Å; I156-K158 VanDerWaalsContact C-N 3.32Å; I156-K158 PolarHBondContact O-N 3.48Å; I156-K159 PolarHBondContact O-N 3.19Å; I156-K159 VanDerWaalsContact O-N 3.07Å; I156-V160 PolarHBondContact O-N 2.89Å; I156-L163 HydrophobicContact CG2-CB 4.47Å; I156-L163 HydrophobicContact CG2-CD1 3.94Å; I156-Y167 HydrophobicContact CG2-CE2 4.24Å |
| 157 | I | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.5 | -37.5 | 178 | -66.2 | 171.9 | 0 | 0 | 0 | 111.3 | A153 L154 R155 K159 V160 P161 L164 Y167 L189 E192 M193 R196 | A153-I157 WeakPolarHBondContact O-CG1 3.33Å; A153-I157 PolarHBondContact O-N 3.42Å; L154-I157 PolarHBondContact O-N 3.41Å; R155-I157 VanDerWaalsContact C-N 3.35Å; I157-K159 VanDerWaalsContact C-N 3.27Å; I157-K159 PolarHBondContact O-N 2.66Å; I157-V160 CarbonylContact O-C 3.58Å; I157-P161 WeakPolarHBondContact O-CA 3.17Å; I157-L164 HydrophobicContact CG2-CB 4.44Å; I157-L164 HydrophobicContact CG2-CD1 4.22Å; I157-Y167 HydrophobicContact CD1-CD2 3.92Å; I157-Y167 HydrophobicContact CD1-CG 4.36Å; I157-Y167 HydrophobicContact CG1-CD2 4.02Å; I157-Y167 HydrophobicContact CG1-CE2 4.37Å; I157-L189 HydrophobicContact CD1-CD1 3.66Å; I157-E192 HydrophobicContact CG2-CG 4.38Å; I157-M193 HydrophobicContact CD1-CG 3.68Å; I157-M193 HydrophobicContact CD1-SD 4.19Å; I157-R196 HydrophobicContact CG2-CG 4.43Å |
| 158 | K | 92.8 | Very high | 92.7 | Very high | 90 Ų | 90 | 41.9 Ų | 41.9 | 39% | 0.391 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.3 | -33.6 | 173.2 | -78.8 | -170.6 | 172.8 | -167.8 | 0 | 113.3 | L154 R155 I156 E192 | L154-K158 HydrophobicContact CD2-CD 3.87Å; L154-K158 HydrophobicContact CD2-CG 4.27Å; L154-K158 PolarHBondContact O-N 3.01Å; R155-K158 WeakPolarHBondContact O-CB 3.38Å; R155-K158 PolarHBondContact O-N 3.07Å; I156-K158 VanDerWaalsContact C-N 3.32Å; I156-K158 PolarHBondContact O-N 3.48Å; K158-E192 VanDerWaalsContact CE-OE1 3.31Å; K158-E192 WeakPolarHBondContact CE-OE1 3.47Å; K158-E192 WeakPolarHBondContact CE-OE2 3.46Å; K158-E192 HydrophobicContact CG-CG 3.95Å; K158-E192 VanDerWaalsContact CG-OE1 3.29Å; K158-E192 WeakPolarHBondContact CG-OE1 3.26Å; K158-E192 IonicContact NZ-OE2 3.12Å; K158-E192 PolarHBondContact NZ-OE2 2.96Å |
| 159 | K | 91.2 | Very high | 92.3 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 21% | 0.209 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -88.3 | -41.8 | -177.8 | -78.3 | -69.1 | -167.2 | 173 | 0 | 113.1 | E87 C122 R155 I156 I157 | E87-K159 VanDerWaalsContact OE1-CE 3.28Å; E87-K159 WeakPolarHBondContact OE1-CE 2.96Å; E87-K159 IonicContact OE1-NZ 2.63Å; E87-K159 PolarHBondContact OE1-NZ 3.25Å; E87-K159 IonicContact OE2-NZ 3.08Å; E87-K159 PolarHBondContact OE2-NZ 2.88Å; C122-K159 WeakPolarHBondContact O-CE 3.38Å; R155-K159 PolarHBondContact O-N 3.04Å; R155-K159 VanDerWaalsContact O-N 3.09Å; I156-K159 PolarHBondContact O-N 3.19Å; I156-K159 VanDerWaalsContact O-N 3.07Å; I157-K159 VanDerWaalsContact C-N 3.27Å; I157-K159 PolarHBondContact O-N 2.66Å |
| 160 | V | 92.6 | Very high | 92 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | trans | -131.8 | 88.7 | -179.2 | -173.4 | 0 | 0 | 0 | 0 | 107.9 | Q124 C127 I156 I157 D162 L163 | Q124-V160 HydrophobicContact CB-CG2 3.98Å; Q124-V160 HydrophobicContact CG-CG2 4.07Å; C127-V160 HydrophobicContact CB-CG2 3.89Å; I156-V160 PolarHBondContact O-N 2.89Å; I157-V160 CarbonylContact O-C 3.58Å; V160-D162 HydrophobicContact CG1-CB 4.3Å; V160-D162 PolarHBondContact O-N 2.82Å; V160-L163 HydrophobicContact CB-CD1 4.02Å; V160-L163 HydrophobicContact CB-CG 4.38Å; V160-L163 HydrophobicContact CG1-CD1 3.91Å; V160-L163 HydrophobicContact CG1-CG 3.87Å; V160-L163 PolarHBondContact O-N 2.9Å | ||
| 161 | P | 91.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 43.8 Ų | 43.8 | 38% | 0.377 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -59.2 | -27.7 | -179.3 | -25.9 | 35.7 | 0 | 0 | 0 | 113.8 | I157 L163 L164 | I157-P161 WeakPolarHBondContact O-CA 3.17Å; P161-L163 PolarHBondContact O-N 2.83Å; P161-L164 WeakPolarHBondContact O-CB 3.46Å; P161-L164 PolarHBondContact O-N 3.05Å; P161-L164 VanDerWaalsContact O-N 3.08Å |
| 162 | D | 90.8 | Very high | 91.2 | Very high | 125 Ų | 125 | 45.5 Ų | 45.5 | 67% | 0.668 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -60.1 | -28.9 | -178.6 | -50.4 | -25.4 | 0 | 0 | 0 | 113.2 | V160 L164 | V160-D162 HydrophobicContact CG1-CB 4.3Å; V160-D162 PolarHBondContact O-N 2.82Å; D162-L164 PolarHBondContact O-N 3.16Å |
| 163 | L | 90.2 | Very high | 90.8 | Very high | 30 Ų | 30 | 48 Ų | 48 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -78.6 | 1.1 | -179.4 | -64.6 | 172.1 | 0 | 0 | 0 | 113.1 | R128 A131 I156 V160 P161 E165 M166 Y167 | R128-L163 HydrophobicContact CG-CD1 4.34Å; A131-L163 HydrophobicContact CB-CD1 4Å; I156-L163 HydrophobicContact CG2-CB 4.47Å; I156-L163 HydrophobicContact CG2-CD1 3.94Å; V160-L163 HydrophobicContact CB-CD1 4.02Å; V160-L163 HydrophobicContact CB-CG 4.38Å; V160-L163 HydrophobicContact CG1-CD1 3.91Å; V160-L163 HydrophobicContact CG1-CG 3.87Å; V160-L163 PolarHBondContact O-N 2.9Å; P161-L163 PolarHBondContact O-N 2.83Å; L163-E165 VanDerWaalsContact C-N 3.27Å; L163-E165 PolarHBondContact O-N 3.48Å; L163-M166 HydrophobicContact CD2-SD 3.83Å; L163-M166 PolarHBondContact O-N 3.38Å; L163-Y167 VanDerWaalsContact O-CD2 3.31Å; L163-Y167 WeakPolarHBondContact O-CD2 3.42Å |
| 164 | L | 90.3 | Very high | 90.4 | Very high | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.1 | -41.5 | -178.6 | -177 | 158 | 0 | 0 | 0 | 111.9 | I157 P161 D162 M166 Y167 I168 M193 R196 V200 | I157-L164 HydrophobicContact CG2-CB 4.44Å; I157-L164 HydrophobicContact CG2-CD1 4.22Å; P161-L164 WeakPolarHBondContact O-CB 3.46Å; P161-L164 PolarHBondContact O-N 3.05Å; P161-L164 VanDerWaalsContact O-N 3.08Å; D162-L164 PolarHBondContact O-N 3.16Å; L164-M166 PolarHBondContact O-N 2.89Å; L164-Y167 PolarHBondContact O-N 3.28Å; L164-I168 HydrophobicContact CD2-CD1 3.74Å; L164-I168 HydrophobicContact CD2-CG1 3.72Å; L164-I168 PolarHBondContact O-N 3.05Å; L164-M193 HydrophobicContact CD1-CB 4.17Å; L164-M193 HydrophobicContact CD1-CG 4.28Å; L164-M193 HydrophobicContact CD2-CE 3.73Å; L164-M193 HydrophobicContact CG-CB 4.46Å; L164-M193 HydrophobicContact CG-CE 3.89Å; L164-M193 HydrophobicContact CG-CG 4.19Å; L164-R196 HydrophobicContact CD1-CB 4.14Å; L164-V200 HydrophobicContact CD1-CG2 4.49Å; L164-V200 HydrophobicContact CD2-CG1 4.42Å; L164-V200 HydrophobicContact CD2-CG2 3.45Å; L164-V200 VanDerWaalsContact CD2-CG2 3.45Å |
| 165 | E | 89.4 | Confident | 90.1 | Very high | 155 Ų | 155 | 46.9 Ų | 46.9 | 72% | 0.724 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -57 | -35.1 | -174.1 | -64.8 | -173.7 | 179.3 | 0 | 0 | 112.8 | L163 Y167 I168 | L163-E165 VanDerWaalsContact C-N 3.27Å; L163-E165 PolarHBondContact O-N 3.48Å; E165-Y167 VanDerWaalsContact C-N 3.25Å; E165-Y167 PolarHBondContact O-N 3.26Å; E165-I168 PolarHBondContact O-N 3.36Å |
| 166 | M | 90.6 | Very high | 89.8 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 32% | 0.32 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.2 | -32.3 | 178.6 | -62.5 | 179.6 | 62.4 | 0 | 0 | 112.6 | L163 L164 | L163-M166 HydrophobicContact CD2-SD 3.83Å; L163-M166 PolarHBondContact O-N 3.38Å; L164-M166 PolarHBondContact O-N 2.89Å |
| 167 | Y | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -91.9 | -14.4 | -174 | -62.6 | -73.7 | 0 | 0 | 0 | 113.6 | A131 V134 E135 L138 A153 I156 I157 L163 L164 E165 V170 S171 | A131-Y167 PolarHBondContact O-OH 3.2Å; V134-Y167 HydrophobicContact CG1-CE1 4.33Å; E135-Y167 HydrophobicContact CB-CE1 4.15Å; L138-Y167 HydrophobicContact CD2-CD1 4.24Å; A153-Y167 HydrophobicContact CB-CD1 3.83Å; A153-Y167 HydrophobicContact CB-CE1 3.6Å; A153-Y167 HydrophobicContact CB-CE2 4.48Å; A153-Y167 HydrophobicContact CB-CG 4.36Å; I156-Y167 HydrophobicContact CG2-CE2 4.24Å; I157-Y167 HydrophobicContact CD1-CD2 3.92Å; I157-Y167 HydrophobicContact CD1-CG 4.36Å; I157-Y167 HydrophobicContact CG1-CD2 4.02Å; I157-Y167 HydrophobicContact CG1-CE2 4.37Å; L163-Y167 VanDerWaalsContact O-CD2 3.31Å; L163-Y167 WeakPolarHBondContact O-CD2 3.42Å; L164-Y167 PolarHBondContact O-N 3.28Å; E165-Y167 VanDerWaalsContact C-N 3.25Å; E165-Y167 PolarHBondContact O-N 3.26Å; Y167-V170 PolarHBondContact O-N 3.12Å; Y167-S171 WeakPolarHBondContact O-CB 3.49Å; Y167-S171 PolarHBondContact O-N 2.93Å; Y167-S171 PolarHBondContact O-OG 3.1Å |
| 168 | I | 89.6 | Confident | 89.1 | Confident | 38 Ų | 38 | 60 Ų | 60 | 20% | 0.195 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -52.3 | -53.6 | 179.2 | -60.8 | 175.3 | 0 | 0 | 0 | 112.9 | L164 E165 V170 S171 M193 V200 Y203 | L164-I168 HydrophobicContact CD2-CD1 3.74Å; L164-I168 HydrophobicContact CD2-CG1 3.72Å; L164-I168 PolarHBondContact O-N 3.05Å; E165-I168 PolarHBondContact O-N 3.36Å; I168-V170 VanDerWaalsContact C-N 3.32Å; I168-V170 PolarHBondContact O-N 3.23Å; I168-S171 PolarHBondContact O-N 3.21Å; I168-M193 HydrophobicContact CB-CE 4.25Å; I168-M193 HydrophobicContact CG1-CE 3.54Å; I168-V200 HydrophobicContact CD1-CG2 4.04Å; I168-Y203 HydrophobicContact CG2-CD1 3.86Å; I168-Y203 HydrophobicContact CG2-CE1 3.67Å |
| 169 | P | 87.2 | Confident | 89 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | -175.4 | 23.7 | -33.5 | 0 | 0 | 0 | 112.4 | ||
| 170 | V | 88.5 | Confident | 89 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -74.8 | -36.4 | -177 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | E135 L138 K139 Y167 I168 R172 S173 | E135-V170 HydrophobicContact CG-CG2 4.04Å; L138-V170 HydrophobicContact CB-CG1 4.05Å; L138-V170 HydrophobicContact CD2-CB 4.01Å; L138-V170 HydrophobicContact CD2-CG1 3.61Å; L138-V170 HydrophobicContact CG-CG1 3.61Å; K139-V170 HydrophobicContact CD-CG2 4.39Å; K139-V170 VanDerWaalsContact CE-CG2 3.43Å; K139-V170 HydrophobicContact CG-CG1 3.9Å; K139-V170 HydrophobicContact CG-CG2 4.13Å; Y167-V170 PolarHBondContact O-N 3.12Å; I168-V170 VanDerWaalsContact C-N 3.32Å; I168-V170 PolarHBondContact O-N 3.23Å; V170-R172 VanDerWaalsContact C-N 3.28Å; V170-R172 PolarHBondContact O-N 3.44Å; V170-S173 WeakPolarHBondContact O-CB 3.46Å; V170-S173 PolarHBondContact O-N 3.36Å; V170-S173 VanDerWaalsContact O-N 3.1Å; V170-S173 PolarHBondContact O-OG 2.75Å |
| 171 | S | 87.8 | Confident | 89 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.4 | -34.5 | -175.3 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | Y167 I168 S173 L174 L189 | Y167-S171 WeakPolarHBondContact O-CB 3.49Å; Y167-S171 PolarHBondContact O-N 2.93Å; Y167-S171 PolarHBondContact O-OG 3.1Å; I168-S171 PolarHBondContact O-N 3.21Å; S171-S173 VanDerWaalsContact C-N 3.27Å; S171-S173 PolarHBondContact O-N 3.34Å; S171-L174 WeakPolarHBondContact O-CB 3.48Å; S171-L174 PolarHBondContact O-N 2.9Å; S171-L174 VanDerWaalsContact O-N 3.15Å; S171-L189 WeakPolarHBondContact OG-CD2 3.48Å |
| 172 | R | 85.7 | Confident | 89.1 | Confident | 129 Ų | 129 | 57.1 Ų | 57.1 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.4 | -34.3 | 177 | -173.7 | 173.4 | 179.3 | -176.7 | -0.4 | 112.9 | V170 L174 L207 | V170-R172 VanDerWaalsContact C-N 3.28Å; V170-R172 PolarHBondContact O-N 3.44Å; R172-L174 VanDerWaalsContact C-N 3.27Å; R172-L174 PolarHBondContact O-N 3.37Å; R172-L207 HydrophobicContact CG-CD1 4.06Å; R172-L207 HydrophobicContact CG-CD2 4.27Å |
| 173 | S | 86.5 | Confident | 89.2 | Confident | 54 Ų | 54 | 51.5 Ų | 51.5 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68 | -27.1 | 179.3 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | V170 S171 I175 S176 | V170-S173 WeakPolarHBondContact O-CB 3.46Å; V170-S173 PolarHBondContact O-N 3.36Å; V170-S173 VanDerWaalsContact O-N 3.1Å; V170-S173 PolarHBondContact O-OG 2.75Å; S171-S173 VanDerWaalsContact C-N 3.27Å; S171-S173 PolarHBondContact O-N 3.34Å; S173-I175 VanDerWaalsContact C-N 3.31Å; S173-I175 PolarHBondContact O-N 3.5Å; S173-S176 PolarHBondContact O-N 2.77Å |
| 174 | L | 88.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.5 | -26.1 | -175.3 | -61.2 | 168.7 | 0 | 0 | 0 | 113.1 | L138 A150 S171 R172 S176 E177 V182 L189 | L138-L174 HydrophobicContact CD1-CD1 3.97Å; L138-L174 HydrophobicContact CD1-CD2 3.98Å; L138-L174 HydrophobicContact CD2-CD1 4.29Å; L138-L174 HydrophobicContact CG-CD1 4.36Å; L138-L174 HydrophobicContact CG-CD2 4.45Å; A150-L174 HydrophobicContact CB-CD1 4.5Å; S171-L174 WeakPolarHBondContact O-CB 3.48Å; S171-L174 PolarHBondContact O-N 2.9Å; S171-L174 VanDerWaalsContact O-N 3.15Å; R172-L174 VanDerWaalsContact C-N 3.27Å; R172-L174 PolarHBondContact O-N 3.37Å; L174-S176 VanDerWaalsContact C-N 3.26Å; L174-S176 PolarHBondContact O-N 2.95Å; L174-E177 PolarHBondContact O-N 3.08Å; L174-V182 HydrophobicContact CD2-CG1 3.86Å; L174-L189 HydrophobicContact CD1-CD2 4.09Å |
| 175 | I | 87.5 | Confident | 89.6 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -22.4 | -179.8 | -52.1 | -179.9 | 0 | 0 | 0 | 111.8 | S173 E177 L183 I190 L207 L211 I214 | S173-I175 VanDerWaalsContact C-N 3.31Å; S173-I175 PolarHBondContact O-N 3.5Å; I175-E177 VanDerWaalsContact C-N 3.32Å; I175-L183 HydrophobicContact CB-CD1 4.5Å; I175-L183 HydrophobicContact CG2-CD1 4.29Å; I175-L183 WeakPolarHBondContact O-CD1 3.43Å; I175-I190 HydrophobicContact CD1-CD1 3.37Å; I175-I190 HydrophobicContact CG1-CD1 3.51Å; I175-L207 HydrophobicContact CD1-CB 4.24Å; I175-L207 HydrophobicContact CD1-CD1 3.35Å; I175-L207 HydrophobicContact CD1-CG 4.34Å; I175-L211 HydrophobicContact CD1-CD2 4.44Å; I175-L211 HydrophobicContact CG2-CD2 3.84Å; I175-I214 HydrophobicContact CG2-CD1 3.73Å; I175-I214 WeakPolarHBondContact O-CD1 3.3Å |
| 176 | S | 85.8 | Confident | 89.8 | Confident | 90 Ų | 90 | 44.5 Ų | 44.5 | 63% | 0.629 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 1.8 | -178 | -55.7 | 0 | 0 | 0 | 0 | 113.3 | S173 L174 | S173-S176 PolarHBondContact O-N 2.77Å; L174-S176 VanDerWaalsContact C-N 3.26Å; L174-S176 PolarHBondContact O-N 2.95Å |
| 177 | E | 86.5 | Confident | 90 | Very high | 66 Ų | 66 | 41.4 Ų | 41.4 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | trans | -73.6 | 142.2 | -178.5 | -73.1 | -61.2 | 146.7 | 0 | 0 | 112.8 | R146 L174 I175 V182 | R146-E177 IonicContact CZ-OE1 3.14Å; R146-E177 IonicContact NH1-OE1 3.48Å; R146-E177 PolarHBondContact NH1-OE1 3.39Å; R146-E177 IonicContact NH1-OE2 2.85Å; R146-E177 IonicContact NH2-OE1 3.9Å; R146-E177 PolarHBondContact NH2-OE1 3.27Å; L174-E177 PolarHBondContact O-N 3.08Å; I175-E177 VanDerWaalsContact C-N 3.32Å; E177-V182 HydrophobicContact CB-CB 4.39Å; E177-V182 HydrophobicContact CB-CG1 4.28Å; E177-V182 HydrophobicContact CG-CG1 3.96Å | ||
| 178 | K | 87 | Confident | 90.1 | Very high | 201 Ų | 201 | 42.2 Ų | 42.2 | 87% | 0.874 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -77.9 | -24.3 | 175.6 | -64.7 | -176.4 | -179.8 | -178.6 | 0 | 112.8 | H180 | K178-H180 PolarHBondContact O-N 3.18Š|
| 179 | N | 91 | Very high | 90.3 | Very high | 72 Ų | 72 | 40.4 Ų | 40.4 | 39% | 0.385 | 22% | 0.216 | S | C | . | . | trans | -79.7 | 116.3 | -178.1 | -171.7 | -74 | 0 | 0 | 0 | 110.4 | A143 G181 V182 L183 | A143-N179 HydrophobicContact CB-CB 4.38Å; N179-G181 PolarHBondContact O-N 3.12Å; N179-G181 WeakPolarHBondContact OD1-CA 3.45Å; N179-G181 PolarHBondContact OD1-N 3.05Å; N179-V182 HydrophobicContact CB-CB 4.36Å; N179-V182 HydrophobicContact CB-CG2 4.08Å; N179-V182 PolarHBondContact O-N 3.13Å; N179-V182 PolarHBondContact OD1-N 3.37Å; N179-L183 PolarHBondContact O-N 3.33Å | ||
| 180 | H | 91.1 | Very high | 90.6 | Very high | 44 Ų | 44 | 36.5 Ų | 36.5 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.5 | -34.8 | -178.5 | -73.4 | -144.3 | 0 | 0 | 0 | 112.8 | K178 V182 L183 I184 H227 D234 L237 | K178-H180 PolarHBondContact O-N 3.18Å; H180-V182 PolarHBondContact O-N 3.38Å; H180-L183 PolarHBondContact O-N 2.94Å; H180-I184 WeakPolarHBondContact O-CG2 3.28Å; H180-I184 PolarHBondContact O-N 3.23Å; H180-H227 AromaticContact CD2-CD2 3.93Å; H180-H227 AromaticContact CD2-NE2 3.87Å; H180-H227 AromaticContact CE1-CD2 3.46Å; H180-H227 PolarHBondContact CE1-CD2 3.03Å; H180-H227 VanDerWaalsContact CE1-CD2 3.46Å; H180-H227 AromaticContact CG-CD2 3.49Å; H180-H227 VanDerWaalsContact CG-CD2 3.49Å; H180-H227 AromaticContact CG-NE2 3.46Å; H180-H227 AromaticContact ND1-CD2 3.18Å; H180-H227 PolarHBondContact ND1-CD2 3.36Å; H180-H227 AromaticContact ND1-CG 3.69Å; H180-H227 AromaticContact ND1-NE2 3.68Å; H180-H227 AromaticContact NE2-CD2 3.92Å; H180-D234 WeakPolarHBondContact CB-OD2 3.42Å; H180-D234 IonicContact CE1-OD2 3.54Å; H180-D234 IonicContact CG-OD2 2.83Å; H180-D234 IonicContact ND1-OD2 3.27Å; H180-D234 PolarHBondContact ND1-OD2 3.39Å; H180-L237 HydrophobicContact CB-CD2 4.45Å |
| 181 | G | 91.6 | Very high | 90.8 | Very high | 25 Ų | 25 | 37.5 Ų | 37.5 | 26% | 0.258 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.9 | -31.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | N179 I184 S185 | N179-G181 PolarHBondContact O-N 3.12Å; N179-G181 WeakPolarHBondContact OD1-CA 3.45Å; N179-G181 PolarHBondContact OD1-N 3.05Å; G181-I184 WeakPolarHBondContact O-CG2 3.25Å; G181-S185 PolarHBondContact O-OG 2.67Å |
| 182 | V | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -76.8 | -41.7 | 172 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | A143 R146 K147 L174 E177 N179 H180 I184 S185 G186 | A143-V182 HydrophobicContact CB-CG2 3.8Å; R146-V182 HydrophobicContact CB-CG1 4.12Å; R146-V182 HydrophobicContact CB-CG2 4.19Å; K147-V182 HydrophobicContact CB-CG2 4.41Å; L174-V182 HydrophobicContact CD2-CG1 3.86Å; E177-V182 HydrophobicContact CB-CB 4.39Å; E177-V182 HydrophobicContact CB-CG1 4.28Å; E177-V182 HydrophobicContact CG-CG1 3.96Å; N179-V182 HydrophobicContact CB-CB 4.36Å; N179-V182 HydrophobicContact CB-CG2 4.08Å; N179-V182 PolarHBondContact O-N 3.13Å; N179-V182 PolarHBondContact OD1-N 3.37Å; H180-V182 PolarHBondContact O-N 3.38Å; V182-I184 PolarHBondContact O-N 3.26Å; V182-S185 PolarHBondContact O-N 2.8Å; V182-S185 PolarHBondContact O-OG 2.84Å; V182-G186 PolarHBondContact O-N 2.96Å |
| 183 | L | 93.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | -179.7 | -174.8 | 59.7 | 0 | 0 | 0 | 112.3 | I175 N179 H180 S185 G186 I187 I214 L237 | I175-L183 HydrophobicContact CB-CD1 4.5Å; I175-L183 HydrophobicContact CG2-CD1 4.29Å; I175-L183 WeakPolarHBondContact O-CD1 3.43Å; N179-L183 PolarHBondContact O-N 3.33Å; H180-L183 PolarHBondContact O-N 2.94Å; L183-S185 VanDerWaalsContact C-N 3.33Å; L183-S185 PolarHBondContact O-N 2.9Å; L183-G186 PolarHBondContact O-N 3.37Å; L183-I187 HydrophobicContact CD1-CD1 4.07Å; L183-I187 HydrophobicContact CD1-CG1 4.45Å; L183-I187 HydrophobicContact CG-CD1 3.91Å; L183-I187 WeakPolarHBondContact O-CD1 3.38Å; L183-I187 VanDerWaalsContact O-CG1 3.31Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 3.14Å; L183-I214 HydrophobicContact CD2-CG2 4Å; L183-L237 HydrophobicContact CB-CD1 4.45Å; L183-L237 HydrophobicContact CD2-CD1 4.04Å; L183-L237 HydrophobicContact CD2-CD2 3.74Å; L183-L237 HydrophobicContact CD2-CG 4.49Å; L183-L237 HydrophobicContact CG-CD1 3.89Å; L183-L237 HydrophobicContact CG-CD2 4.41Å |
| 184 | I | 94.1 | Very high | 91.5 | Very high | 45 Ų | 45 | 29.5 Ų | 29.5 | 23% | 0.231 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 176.9 | -167.1 | 174.3 | 0 | 0 | 0 | 111.9 | H180 G181 V182 I187 C188 F236 L237 K240 | H180-I184 WeakPolarHBondContact O-CG2 3.28Å; H180-I184 PolarHBondContact O-N 3.23Å; G181-I184 WeakPolarHBondContact O-CG2 3.25Å; V182-I184 PolarHBondContact O-N 3.26Å; I184-I187 PolarHBondContact O-N 3.49Å; I184-C188 WeakPolarHBondContact O-CB 3.47Å; I184-C188 PolarHBondContact O-N 3.07Å; I184-C188 PolarHBondContact O-SG 3.33Å; I184-F236 HydrophobicContact CD1-CB 3.86Å; I184-L237 HydrophobicContact CB-CD1 4.24Å; I184-K240 HydrophobicContact CD1-CG 4.29Å; I184-K240 HydrophobicContact CG1-CB 4.44Å; I184-K240 HydrophobicContact CG1-CG 3.99Å |
| 185 | S | 94.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.9 | -37 | 178.1 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | K147 A150 G181 V182 L183 C188 L189 | K147-S185 WeakPolarHBondContact CA-OG 3.17Å; A150-S185 WeakPolarHBondContact CB-OG 3.08Å; G181-S185 PolarHBondContact O-OG 2.67Å; V182-S185 PolarHBondContact O-N 2.8Å; V182-S185 PolarHBondContact O-OG 2.84Å; L183-S185 VanDerWaalsContact C-N 3.33Å; L183-S185 PolarHBondContact O-N 2.9Å; S185-C188 PolarHBondContact O-N 3.39Å; S185-L189 PolarHBondContact O-N 3.49Å |
| 186 | G | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.8 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V182 L183 C188 L189 I190 | V182-G186 PolarHBondContact O-N 2.96Å; L183-G186 PolarHBondContact O-N 3.37Å; G186-C188 VanDerWaalsContact C-N 3.35Å; G186-L189 WeakPolarHBondContact O-CB 3.47Å; G186-L189 PolarHBondContact O-N 3.34Å; G186-I190 VanDerWaalsContact O-CG1 3.28Å; G186-I190 WeakPolarHBondContact O-CG1 3.27Å; G186-I190 PolarHBondContact O-N 3.19Å |
| 187 | I | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 174.4 | -70.8 | 160.8 | 0 | 0 | 0 | 110.7 | L183 I184 L189 I190 Q191 L237 K240 I241 L244 | L183-I187 HydrophobicContact CD1-CD1 4.07Å; L183-I187 HydrophobicContact CD1-CG1 4.45Å; L183-I187 HydrophobicContact CG-CD1 3.91Å; L183-I187 WeakPolarHBondContact O-CD1 3.38Å; L183-I187 VanDerWaalsContact O-CG1 3.31Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 3.14Å; I184-I187 PolarHBondContact O-N 3.49Å; I187-L189 VanDerWaalsContact C-N 3.33Å; I187-L189 PolarHBondContact O-N 3.49Å; I187-I190 PolarHBondContact O-N 3.43Å; I187-Q191 WeakPolarHBondContact O-CB 3.29Å; I187-Q191 PolarHBondContact O-N 3.17Å; I187-L237 HydrophobicContact CD1-CD1 3.45Å; I187-L237 VanDerWaalsContact CD1-CD1 3.45Å; I187-K240 HydrophobicContact CG2-CB 3.95Å; I187-K240 WeakPolarHBondContact CG2-O 3.05Å; I187-I241 HydrophobicContact CD1-CD1 4.28Å; I187-I241 HydrophobicContact CD1-CG1 3.54Å; I187-L244 HydrophobicContact CG2-CB 4.15Å; I187-L244 HydrophobicContact CG2-CD2 4Å |
| 188 | C | 94.6 | Very high | 91.7 | Very high | 17 Ų | 17 | 37 Ų | 37 | 12% | 0.115 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 176.2 | -69.9 | 0 | 0 | 0 | 0 | 112 | L154 I184 S185 G186 E192 K240 | L154-C188 HydrophobicContact CD1-CB 3.78Å; L154-C188 WeakPolarHBondContact CD1-O 3.48Å; I184-C188 WeakPolarHBondContact O-CB 3.47Å; I184-C188 PolarHBondContact O-N 3.07Å; I184-C188 PolarHBondContact O-SG 3.33Å; S185-C188 PolarHBondContact O-N 3.39Å; G186-C188 VanDerWaalsContact C-N 3.35Å; C188-E192 PolarHBondContact O-N 3.39Å; C188-K240 VanDerWaalsContact SG-CE 3.59Å |
| 189 | L | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.9 | -49 | 174.3 | 176.8 | 62.4 | 0 | 0 | 0 | 111 | L138 A153 L154 I157 S171 L174 S185 G186 I187 Q191 E192 M193 | L138-L189 HydrophobicContact CD2-CD2 4.2Å; A153-L189 HydrophobicContact CB-CD1 3.99Å; A153-L189 HydrophobicContact CB-CD2 4.3Å; L154-L189 HydrophobicContact CB-CD1 4.05Å; I157-L189 HydrophobicContact CD1-CD1 3.66Å; S171-L189 WeakPolarHBondContact OG-CD2 3.48Å; L174-L189 HydrophobicContact CD1-CD2 4.09Å; S185-L189 PolarHBondContact O-N 3.49Å; G186-L189 WeakPolarHBondContact O-CB 3.47Å; G186-L189 PolarHBondContact O-N 3.34Å; I187-L189 VanDerWaalsContact C-N 3.33Å; I187-L189 PolarHBondContact O-N 3.49Å; L189-Q191 VanDerWaalsContact C-N 3.34Å; L189-Q191 PolarHBondContact O-N 3.42Å; L189-E192 PolarHBondContact O-N 3.15Å; L189-M193 HydrophobicContact CD1-CG 4.49Å; L189-M193 HydrophobicContact CD1-SD 4.31Å; L189-M193 HydrophobicContact CG-SD 4.03Å; L189-M193 VanDerWaalsContact O-CG 3.26Å; L189-M193 WeakPolarHBondContact O-CG 3.46Å; L189-M193 PolarHBondContact O-N 3.09Å |
| 190 | I | 93.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 179.1 | -66.5 | 164.1 | 0 | 0 | 0 | 111.3 | I175 G186 I187 E192 M193 C194 F204 L244 | I175-I190 HydrophobicContact CD1-CD1 3.37Å; I175-I190 HydrophobicContact CG1-CD1 3.51Å; G186-I190 VanDerWaalsContact O-CG1 3.28Å; G186-I190 WeakPolarHBondContact O-CG1 3.27Å; G186-I190 PolarHBondContact O-N 3.19Å; I187-I190 PolarHBondContact O-N 3.43Å; I190-E192 VanDerWaalsContact C-N 3.33Å; I190-E192 PolarHBondContact O-N 2.8Å; I190-M193 PolarHBondContact O-N 3.05Å; I190-C194 WeakPolarHBondContact O-CB 3.35Å; I190-C194 PolarHBondContact O-N 2.97Å; I190-C194 PolarHBondContact O-SG 3.35Å; I190-C194 VanDerWaalsContact O-SG 3.33Å; I190-F204 HydrophobicContact CD1-CE1 4.24Å; I190-F204 HydrophobicContact CG1-CE1 4.13Å; I190-F204 HydrophobicContact CG1-CZ 4.13Å; I190-F204 HydrophobicContact CG2-CB 4.33Å; I190-F204 HydrophobicContact CG2-CD1 4.08Å; I190-F204 HydrophobicContact CG2-CD2 3.91Å; I190-F204 HydrophobicContact CG2-CE1 4.37Å; I190-F204 HydrophobicContact CG2-CE2 4.2Å; I190-F204 HydrophobicContact CG2-CG 3.86Å; I190-F204 HydrophobicContact CG2-CZ 4.44Å; I190-L244 HydrophobicContact CB-CD2 4.5Å; I190-L244 HydrophobicContact CG2-CD1 3.92Å; I190-L244 HydrophobicContact CG2-CD2 4.06Å |
| 191 | Q | 93 | Very high | 91.2 | Very high | 28 Ų | 28 | 29.1 Ų | 29.1 | 13% | 0.131 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.2 | -49.2 | 176.7 | -170.5 | -166.8 | -37.1 | 0 | 0 | 110.6 | I187 L189 M193 C194 E195 L247 | I187-Q191 WeakPolarHBondContact O-CB 3.29Å; I187-Q191 PolarHBondContact O-N 3.17Å; L189-Q191 VanDerWaalsContact C-N 3.34Å; L189-Q191 PolarHBondContact O-N 3.42Å; Q191-M193 VanDerWaalsContact C-N 3.34Å; Q191-M193 PolarHBondContact O-N 3.5Å; Q191-C194 PolarHBondContact O-N 2.83Å; Q191-E195 PolarHBondContact NE2-OE1 3.19Å; Q191-E195 WeakPolarHBondContact O-CG 3.44Å; Q191-E195 PolarHBondContact O-N 2.75Å; Q191-L247 HydrophobicContact CG-CD2 4.37Å |
| 192 | E | 91.7 | Very high | 90.9 | Very high | 11 Ų | 11 | 34 Ų | 34 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 177.6 | -170.2 | 66.4 | -158 | 0 | 0 | 111.8 | L154 I157 K158 C188 L189 I190 C194 E195 R196 | L154-E192 HydrophobicContact CG-CB 4.12Å; L154-E192 HydrophobicContact CG-CG 4.43Å; I157-E192 HydrophobicContact CG2-CG 4.38Å; K158-E192 VanDerWaalsContact CE-OE1 3.31Å; K158-E192 WeakPolarHBondContact CE-OE1 3.47Å; K158-E192 WeakPolarHBondContact CE-OE2 3.46Å; K158-E192 HydrophobicContact CG-CG 3.95Å; K158-E192 VanDerWaalsContact CG-OE1 3.29Å; K158-E192 WeakPolarHBondContact CG-OE1 3.26Å; K158-E192 IonicContact NZ-OE2 3.12Å; K158-E192 PolarHBondContact NZ-OE2 2.96Å; C188-E192 PolarHBondContact O-N 3.39Å; L189-E192 PolarHBondContact O-N 3.15Å; I190-E192 VanDerWaalsContact C-N 3.33Å; I190-E192 PolarHBondContact O-N 2.8Å; E192-C194 VanDerWaalsContact C-N 3.33Å; E192-C194 PolarHBondContact O-N 3.01Å; E192-E195 PolarHBondContact O-N 3.21Å; E192-R196 HydrophobicContact CG-CG 4.48Å; E192-R196 VanDerWaalsContact O-CG 3.23Å; E192-R196 WeakPolarHBondContact O-CG 3.34Å; E192-R196 PolarHBondContact O-N 3.45Å; E192-R196 VanDerWaalsContact O-N 3.13Å; E192-R196 IonicContact OE1-CZ 2.77Å; E192-R196 VanDerWaalsContact OE1-CZ 3.31Å; E192-R196 IonicContact OE1-NE 2.81Å; E192-R196 PolarHBondContact OE1-NE 3.41Å; E192-R196 IonicContact OE1-NH2 3.97Å; E192-R196 PolarHBondContact OE1-NH2 2.85Å |
| 193 | M | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 177.9 | -67.6 | 174.6 | 80.3 | 0 | 0 | 112.4 | I157 L164 I168 L189 I190 Q191 R196 S197 V200 F204 | I157-M193 HydrophobicContact CD1-CG 3.68Å; I157-M193 HydrophobicContact CD1-SD 4.19Å; L164-M193 HydrophobicContact CD1-CB 4.17Å; L164-M193 HydrophobicContact CD1-CG 4.28Å; L164-M193 HydrophobicContact CD2-CE 3.73Å; L164-M193 HydrophobicContact CG-CB 4.46Å; L164-M193 HydrophobicContact CG-CE 3.89Å; L164-M193 HydrophobicContact CG-CG 4.19Å; I168-M193 HydrophobicContact CB-CE 4.25Å; I168-M193 HydrophobicContact CG1-CE 3.54Å; L189-M193 HydrophobicContact CD1-CG 4.49Å; L189-M193 HydrophobicContact CD1-SD 4.31Å; L189-M193 HydrophobicContact CG-SD 4.03Å; L189-M193 VanDerWaalsContact O-CG 3.26Å; L189-M193 WeakPolarHBondContact O-CG 3.46Å; L189-M193 PolarHBondContact O-N 3.09Å; I190-M193 PolarHBondContact O-N 3.05Å; Q191-M193 VanDerWaalsContact C-N 3.34Å; Q191-M193 PolarHBondContact O-N 3.5Å; M193-R196 PolarHBondContact O-N 3.22Å; M193-S197 PolarHBondContact O-N 3.48Å; M193-V200 HydrophobicContact CB-CG1 3.96Å; M193-V200 HydrophobicContact CE-CG1 4.49Å; M193-F204 HydrophobicContact CE-CE2 4.38Å; M193-F204 HydrophobicContact SD-CE2 4.44Å |
| 194 | C | 91.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.034 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.4 | -29.9 | 177.7 | -69.9 | 0 | 0 | 0 | 0 | 113.1 | I190 Q191 E192 L201 L247 | I190-C194 WeakPolarHBondContact O-CB 3.35Å; I190-C194 PolarHBondContact O-N 2.97Å; I190-C194 PolarHBondContact O-SG 3.35Å; I190-C194 VanDerWaalsContact O-SG 3.33Å; Q191-C194 PolarHBondContact O-N 2.83Å; E192-C194 VanDerWaalsContact C-N 3.33Å; E192-C194 PolarHBondContact O-N 3.01Å; C194-L201 HydrophobicContact CB-CB 4.46Å; C194-L247 HydrophobicContact CB-CD2 3.34Å; C194-L247 HydrophobicContact CB-CG 4.16Å |
| 195 | E | 90.4 | Very high | 90.2 | Very high | 72 Ų | 72 | 38.4 Ų | 38.4 | 34% | 0.336 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -72.7 | -31.3 | 174.9 | -74.1 | 176.9 | -162.5 | 0 | 0 | 111.9 | Q191 E192 L247 | Q191-E195 PolarHBondContact NE2-OE1 3.19Å; Q191-E195 WeakPolarHBondContact O-CG 3.44Å; Q191-E195 PolarHBondContact O-N 2.75Å; E192-E195 PolarHBondContact O-N 3.21Å; E195-L247 HydrophobicContact CG-CD1 4.16Å; E195-L247 HydrophobicContact CG-CD2 3.66Å |
| 196 | R | 88.1 | Confident | 89.8 | Confident | 123 Ų | 123 | 46.8 Ų | 46.8 | 46% | 0.464 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -83.5 | -38.5 | -177 | -64.6 | -67.4 | 174.3 | 166.5 | -1.5 | 114.2 | I157 L164 E192 M193 | I157-R196 HydrophobicContact CG2-CG 4.43Å; L164-R196 HydrophobicContact CD1-CB 4.14Å; E192-R196 HydrophobicContact CG-CG 4.48Å; E192-R196 VanDerWaalsContact O-CG 3.23Å; E192-R196 WeakPolarHBondContact O-CG 3.34Å; E192-R196 PolarHBondContact O-N 3.45Å; E192-R196 VanDerWaalsContact O-N 3.13Å; E192-R196 IonicContact OE1-CZ 2.77Å; E192-R196 VanDerWaalsContact OE1-CZ 3.31Å; E192-R196 IonicContact OE1-NE 2.81Å; E192-R196 PolarHBondContact OE1-NE 3.41Å; E192-R196 IonicContact OE1-NH2 3.97Å; E192-R196 PolarHBondContact OE1-NH2 2.85Å; M193-R196 PolarHBondContact O-N 3.22Å |
| 197 | S | 87.3 | Confident | 89.5 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | trans | -131 | 122.8 | -177 | 175.2 | 0 | 0 | 0 | 0 | 112 | M193 D199 V200 L201 | M193-S197 PolarHBondContact O-N 3.48Å; S197-D199 VanDerWaalsContact C-N 3.29Å; S197-D199 PolarHBondContact O-N 3.28Å; S197-D199 PolarHBondContact OG-N 3.4Å; S197-V200 PolarHBondContact O-N 3.15Å; S197-L201 PolarHBondContact O-N 2.97Å | ||
| 198 | P | 86.3 | Confident | 89.4 | Confident | 94 Ų | 94 | 47.6 Ų | 47.6 | 61% | 0.61 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -67.7 | -25.7 | 177.1 | 27.7 | -34.1 | 0 | 0 | 0 | 113.2 | V200 L201 Q202 | P198-V200 VanDerWaalsContact C-N 3.32Å; P198-L201 VanDerWaalsContact O-CB 3.31Å; P198-L201 WeakPolarHBondContact O-CB 3.34Å; P198-L201 PolarHBondContact O-N 3.03Å; P198-Q202 PolarHBondContact O-N 3.43Å |
| 199 | D | 86.2 | Confident | 89.2 | Confident | 116 Ų | 116 | 50.3 Ų | 50.3 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -68.1 | -37.7 | 177.9 | -61.1 | -35.3 | 0 | 0 | 0 | 111.1 | S197 L201 Q202 Y203 | S197-D199 VanDerWaalsContact C-N 3.29Å; S197-D199 PolarHBondContact O-N 3.28Å; S197-D199 PolarHBondContact OG-N 3.4Å; D199-L201 VanDerWaalsContact C-N 3.29Å; D199-L201 PolarHBondContact O-N 2.88Å; D199-Q202 WeakPolarHBondContact O-CB 3.38Å; D199-Q202 PolarHBondContact O-N 3.29Å; D199-Y203 PolarHBondContact O-N 2.92Å |
| 200 | V | 86.1 | Confident | 89.1 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.3 | -33.2 | 177.5 | -179.9 | 0 | 0 | 0 | 0 | 111 | L164 I168 M193 S197 P198 Q202 Y203 F204 | L164-V200 HydrophobicContact CD1-CG2 4.49Å; L164-V200 HydrophobicContact CD2-CG1 4.42Å; L164-V200 HydrophobicContact CD2-CG2 3.45Å; L164-V200 VanDerWaalsContact CD2-CG2 3.45Å; I168-V200 HydrophobicContact CD1-CG2 4.04Å; M193-V200 HydrophobicContact CB-CG1 3.96Å; M193-V200 HydrophobicContact CE-CG1 4.49Å; S197-V200 PolarHBondContact O-N 3.15Å; P198-V200 VanDerWaalsContact C-N 3.32Å; V200-Q202 VanDerWaalsContact C-N 3.33Å; V200-Q202 PolarHBondContact O-N 3.29Å; V200-Y203 WeakPolarHBondContact O-CB 3.38Å; V200-Y203 PolarHBondContact O-N 3.27Å; V200-F204 HydrophobicContact CG1-CD2 3.44Å; V200-F204 VanDerWaalsContact CG1-CD2 3.44Å; V200-F204 HydrophobicContact CG1-CE2 3.32Å; V200-F204 VanDerWaalsContact O-CD2 3.24Å; V200-F204 WeakPolarHBondContact O-CD2 3.43Å; V200-F204 PolarHBondContact O-N 3.19Å |
| 201 | L | 86.1 | Confident | 89.1 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 171.9 | -170.8 | 159.4 | 0 | 0 | 0 | 110.8 | C194 S197 P198 D199 Y203 F204 K205 L247 L248 | C194-L201 HydrophobicContact CB-CB 4.46Å; S197-L201 PolarHBondContact O-N 2.97Å; P198-L201 VanDerWaalsContact O-CB 3.31Å; P198-L201 WeakPolarHBondContact O-CB 3.34Å; P198-L201 PolarHBondContact O-N 3.03Å; D199-L201 VanDerWaalsContact C-N 3.29Å; D199-L201 PolarHBondContact O-N 2.88Å; L201-Y203 VanDerWaalsContact C-N 3.32Å; L201-Y203 PolarHBondContact O-N 2.84Å; L201-F204 PolarHBondContact O-N 2.95Å; L201-K205 HydrophobicContact CD2-CD 4Å; L201-K205 HydrophobicContact CD2-CG 4.11Å; L201-K205 WeakPolarHBondContact O-CG 3.43Å; L201-K205 PolarHBondContact O-N 3.49Å; L201-L247 HydrophobicContact CD1-CG 4.38Å; L201-L248 HydrophobicContact CG-CD2 4.33Å |
| 202 | Q | 85.4 | Confident | 89 | Confident | 129 Ų | 129 | 51.8 Ų | 51.8 | 60% | 0.603 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.5 | -38.3 | 176 | -61.2 | -176.7 | 20.2 | 0 | 0 | 112.7 | P198 D199 V200 | P198-Q202 PolarHBondContact O-N 3.43Å; D199-Q202 WeakPolarHBondContact O-CB 3.38Å; D199-Q202 PolarHBondContact O-N 3.29Å; V200-Q202 VanDerWaalsContact C-N 3.33Å; V200-Q202 PolarHBondContact O-N 3.29Å |
| 203 | Y | 88.1 | Confident | 89.1 | Confident | 95 Ų | 95 | 57.6 Ų | 57.6 | 37% | 0.373 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 176.9 | -179.9 | -102.7 | 0 | 0 | 0 | 112.3 | I168 D199 V200 L201 | I168-Y203 HydrophobicContact CG2-CD1 3.86Å; I168-Y203 HydrophobicContact CG2-CE1 3.67Å; D199-Y203 PolarHBondContact O-N 2.92Å; V200-Y203 WeakPolarHBondContact O-CB 3.38Å; V200-Y203 PolarHBondContact O-N 3.27Å; L201-Y203 VanDerWaalsContact C-N 3.32Å; L201-Y203 PolarHBondContact O-N 2.84Å |
| 204 | F | 89.5 | Confident | 89.1 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -81.4 | -16.2 | -177.1 | -73.6 | -61.7 | 0 | 0 | 0 | 114.7 | I190 M193 V200 L201 K206 L207 L248 | I190-F204 HydrophobicContact CD1-CE1 4.24Å; I190-F204 HydrophobicContact CG1-CE1 4.13Å; I190-F204 HydrophobicContact CG1-CZ 4.13Å; I190-F204 HydrophobicContact CG2-CB 4.33Å; I190-F204 HydrophobicContact CG2-CD1 4.08Å; I190-F204 HydrophobicContact CG2-CD2 3.91Å; I190-F204 HydrophobicContact CG2-CE1 4.37Å; I190-F204 HydrophobicContact CG2-CE2 4.2Å; I190-F204 HydrophobicContact CG2-CG 3.86Å; I190-F204 HydrophobicContact CG2-CZ 4.44Å; M193-F204 HydrophobicContact CE-CE2 4.38Å; M193-F204 HydrophobicContact SD-CE2 4.44Å; V200-F204 HydrophobicContact CG1-CD2 3.44Å; V200-F204 VanDerWaalsContact CG1-CD2 3.44Å; V200-F204 HydrophobicContact CG1-CE2 3.32Å; V200-F204 VanDerWaalsContact O-CD2 3.24Å; V200-F204 WeakPolarHBondContact O-CD2 3.43Å; V200-F204 PolarHBondContact O-N 3.19Å; L201-F204 PolarHBondContact O-N 2.95Å; F204-K206 PolarHBondContact O-N 3.42Å; F204-L207 HydrophobicContact CD1-CD1 3.55Å; F204-L207 HydrophobicContact CE1-CD1 4.11Å; F204-L207 WeakPolarHBondContact O-CB 3.45Å; F204-L207 PolarHBondContact O-N 3.26Å; F204-L248 HydrophobicContact CB-CD2 4.08Å |
| 205 | K | 87.2 | Confident | 89.1 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52.8 | -36 | 173.2 | -86.8 | 176.3 | 169.1 | -175.6 | 0 | 113.7 | L201 L207 V208 L248 D252 | L201-K205 HydrophobicContact CD2-CD 4Å; L201-K205 HydrophobicContact CD2-CG 4.11Å; L201-K205 WeakPolarHBondContact O-CG 3.43Å; L201-K205 PolarHBondContact O-N 3.49Å; K205-L207 PolarHBondContact O-N 2.93Å; K205-V208 WeakPolarHBondContact O-CB 3.33Å; K205-V208 WeakPolarHBondContact O-CG2 3.47Å; K205-V208 PolarHBondContact O-N 3.19Å; K205-L248 VanDerWaalsContact CE-O 3.3Å; K205-L248 WeakPolarHBondContact CE-O 3.4Å; K205-L248 HydrophobicContact CG-CD2 4.43Å; K205-D252 WeakPolarHBondContact CD-OD2 3.48Å; K205-D252 WeakPolarHBondContact CE-OD2 3.44Å; K205-D252 VanDerWaalsContact NZ-CB 3.33Å; K205-D252 VanDerWaalsContact NZ-CG 3.28Å; K205-D252 IonicContact NZ-OD1 3.33Å; K205-D252 IonicContact NZ-OD2 2.92Å; K205-D252 PolarHBondContact NZ-OD2 3.06Å; K205-D252 VanDerWaalsContact NZ-OD2 3.13Å |
| 206 | K | 86.3 | Confident | 89.2 | Confident | 179 Ų | 179 | 59.1 Ų | 59.1 | 78% | 0.778 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -13.9 | 176.9 | -63.9 | -177.7 | -178.9 | 179 | 0 | 113.8 | F204 | F204-K206 PolarHBondContact O-N 3.42Š|
| 207 | L | 88.6 | Confident | 89.3 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -6.1 | 177.8 | -58.1 | 177.7 | 0 | 0 | 0 | 113.2 | R172 I175 F204 K205 N210 L211 | R172-L207 HydrophobicContact CG-CD1 4.06Å; R172-L207 HydrophobicContact CG-CD2 4.27Å; I175-L207 HydrophobicContact CD1-CB 4.24Å; I175-L207 HydrophobicContact CD1-CD1 3.35Å; I175-L207 HydrophobicContact CD1-CG 4.34Å; F204-L207 HydrophobicContact CD1-CD1 3.55Å; F204-L207 HydrophobicContact CE1-CD1 4.11Å; F204-L207 WeakPolarHBondContact O-CB 3.45Å; F204-L207 PolarHBondContact O-N 3.26Å; K205-L207 PolarHBondContact O-N 2.93Å; L207-N210 WeakPolarHBondContact O-CA 3.4Å; L207-N210 WeakPolarHBondContact O-CB 3.41Å; L207-N210 PolarHBondContact O-N 2.92Å; L207-L211 PolarHBondContact O-N 3.39Å |
| 208 | V | 91 | Very high | 89.5 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -51.7 | -49.4 | 178.9 | 169.7 | 0 | 0 | 0 | 0 | 112.3 | K205 N210 L211 V212 L245 L248 T258 M259 | K205-V208 WeakPolarHBondContact O-CB 3.33Å; K205-V208 WeakPolarHBondContact O-CG2 3.47Å; K205-V208 PolarHBondContact O-N 3.19Å; V208-N210 PolarHBondContact O-N 3.02Å; V208-L211 PolarHBondContact O-N 2.94Å; V208-L211 VanDerWaalsContact O-N 3.12Å; V208-V212 HydrophobicContact CG1-CG2 4.24Å; V208-V212 VanDerWaalsContact O-CG2 3.32Å; V208-V212 WeakPolarHBondContact O-CG2 3.26Å; V208-V212 PolarHBondContact O-N 2.86Å; V208-L245 HydrophobicContact CG1-CD2 4Å; V208-L248 HydrophobicContact CG2-CB 3.92Å; V208-L248 HydrophobicContact CG2-CD1 3.74Å; V208-L248 HydrophobicContact CG2-CG 4.45Å; V208-T258 HydrophobicContact CG1-CG2 4.45Å; V208-M259 HydrophobicContact CG1-CE 4Å |
| 209 | P | 91.7 | Very high | 89.5 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -33.2 | 178.5 | -21.7 | 31.3 | 0 | 0 | 0 | 113.3 | R213 T258 | P209-R213 PolarHBondContact O-N 3.3Å; P209-T258 HydrophobicContact CB-CG2 4.46Å; P209-T258 HydrophobicContact CG-CG2 4.19Å |
| 210 | N | 91.7 | Very high | 89.5 | Confident | 37 Ų | 37 | 55 Ų | 55 | 20% | 0.198 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.3 | -41.6 | 177.9 | -168.1 | 26.1 | 0 | 0 | 0 | 111.4 | L207 V208 R213 I214 | L207-N210 WeakPolarHBondContact O-CA 3.4Å; L207-N210 WeakPolarHBondContact O-CB 3.41Å; L207-N210 PolarHBondContact O-N 2.92Å; V208-N210 PolarHBondContact O-N 3.02Å; N210-R213 PolarHBondContact O-N 3.01Å; N210-R213 PolarHBondContact OD1-NE 2.93Å; N210-R213 PolarHBondContact OD1-NH2 3.39Å; N210-I214 VanDerWaalsContact O-CG1 3.31Å; N210-I214 WeakPolarHBondContact O-CG1 3.48Å; N210-I214 PolarHBondContact O-N 3.15Å |
| 211 | L | 92.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 174.6 | -66.9 | 171.3 | 0 | 0 | 0 | 111.5 | I175 L207 V208 R213 I214 L215 I241 L244 L245 L248 | I175-L211 HydrophobicContact CD1-CD2 4.44Å; I175-L211 HydrophobicContact CG2-CD2 3.84Å; L207-L211 PolarHBondContact O-N 3.39Å; V208-L211 PolarHBondContact O-N 2.94Å; V208-L211 VanDerWaalsContact O-N 3.12Å; L211-R213 VanDerWaalsContact C-N 3.34Å; L211-R213 PolarHBondContact O-N 3.37Å; L211-I214 PolarHBondContact O-N 3.38Å; L211-L215 WeakPolarHBondContact O-CB 3.23Å; L211-L215 PolarHBondContact O-N 3.47Å; L211-I241 HydrophobicContact CB-CG2 4.24Å; L211-L244 HydrophobicContact CD1-CD2 3.6Å; L211-L244 HydrophobicContact CD1-CG 4.06Å; L211-L244 HydrophobicContact CD2-CD2 4.31Å; L211-L245 HydrophobicContact CB-CD2 4.22Å; L211-L245 HydrophobicContact CD1-CD2 4.46Å; L211-L248 HydrophobicContact CD1-CD1 3.86Å |
| 212 | V | 92.9 | Very high | 88.5 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 13% | 0.127 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 174.1 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | V208 L215 K216 L245 M259 I262 | V208-V212 HydrophobicContact CG1-CG2 4.24Å; V208-V212 VanDerWaalsContact O-CG2 3.32Å; V208-V212 WeakPolarHBondContact O-CG2 3.26Å; V208-V212 PolarHBondContact O-N 2.86Å; V212-L215 PolarHBondContact O-N 3.41Å; V212-K216 WeakPolarHBondContact O-CB 3.4Å; V212-K216 PolarHBondContact O-N 3.2Å; V212-L245 HydrophobicContact CG2-CD2 4.37Å; V212-M259 HydrophobicContact CG2-CB 4.15Å; V212-I262 HydrophobicContact CB-CG2 4.32Å; V212-I262 HydrophobicContact CG1-CB 3.88Å; V212-I262 HydrophobicContact CG1-CG1 4.4Å; V212-I262 HydrophobicContact CG1-CG2 3.74Å; V212-I262 HydrophobicContact CG2-CG2 3.91Å |
| 213 | R | 92.2 | Very high | 88.2 | Confident | 133 Ų | 133 | 60.8 Ų | 60.8 | 50% | 0.502 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.1 | -174 | -175 | 63.2 | 79.9 | 6 | 112.5 | P209 N210 L211 K216 N217 | P209-R213 PolarHBondContact O-N 3.3Å; N210-R213 PolarHBondContact O-N 3.01Å; N210-R213 PolarHBondContact OD1-NE 2.93Å; N210-R213 PolarHBondContact OD1-NH2 3.39Å; L211-R213 VanDerWaalsContact C-N 3.34Å; L211-R213 PolarHBondContact O-N 3.37Å; R213-K216 PolarHBondContact O-N 3.34Å; R213-N217 WeakPolarHBondContact O-CB 3.47Å; R213-N217 PolarHBondContact O-N 3.16Å |
| 214 | I | 91.8 | Very high | 88 | Confident | 20 Ų | 20 | 57.9 Ų | 57.9 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.4 | -46 | 176.6 | -68 | 166.7 | 0 | 0 | 0 | 110.1 | I175 L183 N210 L211 N217 L218 I241 | I175-I214 HydrophobicContact CG2-CD1 3.73Å; I175-I214 WeakPolarHBondContact O-CD1 3.3Å; L183-I214 HydrophobicContact CD2-CG2 4Å; N210-I214 VanDerWaalsContact O-CG1 3.31Å; N210-I214 WeakPolarHBondContact O-CG1 3.48Å; N210-I214 PolarHBondContact O-N 3.15Å; L211-I214 PolarHBondContact O-N 3.38Å; I214-N217 WeakPolarHBondContact O-CB 3.47Å; I214-N217 PolarHBondContact O-N 3.36Å; I214-L218 HydrophobicContact CG2-CD1 4.35Å; I214-L218 WeakPolarHBondContact O-CG 3.29Å; I214-L218 PolarHBondContact O-N 2.65Å; I214-I241 HydrophobicContact CG2-CD1 3.84Å |
| 215 | L | 92.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 177.8 | -175.8 | 58.2 | 0 | 0 | 0 | 111.7 | L211 V212 N217 L218 L219 Q238 I241 L242 L245 I262 V266 | L211-L215 WeakPolarHBondContact O-CB 3.23Å; L211-L215 PolarHBondContact O-N 3.47Å; V212-L215 PolarHBondContact O-N 3.41Å; L215-N217 VanDerWaalsContact C-N 3.3Å; L215-N217 PolarHBondContact O-N 3.14Å; L215-L218 PolarHBondContact O-N 2.88Å; L215-L218 VanDerWaalsContact O-N 3.09Å; L215-L219 WeakPolarHBondContact O-CG 3.2Å; L215-L219 PolarHBondContact O-N 3.2Å; L215-Q238 HydrophobicContact CD1-CB 4.03Å; L215-Q238 HydrophobicContact CD1-CG 3.89Å; L215-I241 HydrophobicContact CB-CG2 4.16Å; L215-I241 HydrophobicContact CD2-CG2 4.28Å; L215-L242 HydrophobicContact CD2-CD2 3.86Å; L215-L242 HydrophobicContact CD2-CG 4.3Å; L215-L245 HydrophobicContact CD2-CD1 4.12Å; L215-I262 HydrophobicContact CB-CG1 4.34Å; L215-I262 HydrophobicContact CD2-CG1 3.84Å; L215-I262 HydrophobicContact CG-CD1 4.45Å; L215-I262 HydrophobicContact CG-CG1 4.02Å; L215-V266 HydrophobicContact CD2-CG2 4.22Å; L215-V266 HydrophobicContact CG-CG2 4.45Å |
| 216 | K | 92 | Very high | 87.5 | Confident | 89 Ų | 89 | 68.2 Ų | 68.2 | 39% | 0.387 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 174.3 | -171.9 | 168.8 | -173.5 | 160.6 | 0 | 111.9 | V212 R213 L218 L219 M220 I262 | V212-K216 WeakPolarHBondContact O-CB 3.4Å; V212-K216 PolarHBondContact O-N 3.2Å; R213-K216 PolarHBondContact O-N 3.34Å; K216-L218 VanDerWaalsContact C-N 3.34Å; K216-L218 PolarHBondContact O-N 3.43Å; K216-L219 PolarHBondContact O-N 3.39Å; K216-M220 HydrophobicContact CG-CG 4.49Å; K216-M220 WeakPolarHBondContact O-CB 3.45Å; K216-M220 VanDerWaalsContact O-CG 3.31Å; K216-M220 WeakPolarHBondContact O-CG 3.39Å; K216-M220 PolarHBondContact O-N 3.1Å; K216-I262 HydrophobicContact CB-CD1 3.84Å; K216-I262 HydrophobicContact CG-CD1 4.33Å |
| 217 | N | 91 | Very high | 87.6 | Confident | 88 Ų | 88 | 62.1 Ų | 62.1 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 174.8 | -73 | -11.4 | 0 | 0 | 0 | 111.9 | R213 I214 L215 M220 S221 | R213-N217 WeakPolarHBondContact O-CB 3.47Å; R213-N217 PolarHBondContact O-N 3.16Å; I214-N217 WeakPolarHBondContact O-CB 3.47Å; I214-N217 PolarHBondContact O-N 3.36Å; L215-N217 VanDerWaalsContact C-N 3.3Å; L215-N217 PolarHBondContact O-N 3.14Å; N217-M220 PolarHBondContact O-N 3.19Å; N217-S221 WeakPolarHBondContact O-CA 3.49Å; N217-S221 WeakPolarHBondContact O-CB 3.4Å; N217-S221 PolarHBondContact O-N 2.89Å |
| 218 | L | 90 | Very high | 87.5 | Confident | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.3 | -36.2 | 177.4 | -68.1 | 170 | 0 | 0 | 0 | 112.6 | I214 L215 K216 D234 L237 Q238 I241 | I214-L218 HydrophobicContact CG2-CD1 4.35Å; I214-L218 WeakPolarHBondContact O-CG 3.29Å; I214-L218 PolarHBondContact O-N 2.65Å; L215-L218 PolarHBondContact O-N 2.88Å; L215-L218 VanDerWaalsContact O-N 3.09Å; K216-L218 VanDerWaalsContact C-N 3.34Å; K216-L218 PolarHBondContact O-N 3.43Å; L218-D234 HydrophobicContact CD2-CB 4.43Å; L218-L237 HydrophobicContact CD1-CB 4.47Å; L218-L237 HydrophobicContact CD1-CD2 3.64Å; L218-L237 HydrophobicContact CD1-CG 3.82Å; L218-L237 HydrophobicContact CD2-CD2 4.24Å; L218-Q238 HydrophobicContact CB-CG 4.14Å; L218-Q238 HydrophobicContact CD1-CG 3.98Å; L218-I241 HydrophobicContact CD1-CD1 3.91Å |
| 219 | L | 88 | Confident | 87.4 | Confident | 42 Ų | 42 | 65.6 Ų | 65.6 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.1 | -39.4 | 175.9 | -66.7 | 169 | 0 | 0 | 0 | 112.8 | L215 K216 I262 V266 | L215-L219 WeakPolarHBondContact O-CG 3.2Å; L215-L219 PolarHBondContact O-N 3.2Å; K216-L219 PolarHBondContact O-N 3.39Å; L219-I262 HydrophobicContact CD1-CD1 3.48Å; L219-I262 VanDerWaalsContact CD1-CD1 3.48Å; L219-I262 HydrophobicContact CD1-CG1 4.44Å; L219-V266 HydrophobicContact CD1-CB 4.33Å; L219-V266 HydrophobicContact CD1-CG2 3.32Å; L219-V266 HydrophobicContact CD2-CG2 4.09Å; L219-V266 HydrophobicContact CG-CG2 4.21Å |
| 220 | M | 86 | Confident | 87 | Confident | 133 Ų | 133 | 66 Ų | 66 | 66% | 0.655 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -85.7 | -17.6 | -179.6 | -62.3 | -61.2 | -60.5 | 0 | 0 | 112.6 | K216 N217 G222 | K216-M220 HydrophobicContact CG-CG 4.49Å; K216-M220 WeakPolarHBondContact O-CB 3.45Å; K216-M220 VanDerWaalsContact O-CG 3.31Å; K216-M220 WeakPolarHBondContact O-CG 3.39Å; K216-M220 PolarHBondContact O-N 3.1Å; N217-M220 PolarHBondContact O-N 3.19Å; M220-G222 PolarHBondContact O-N 3.21Å |
| 221 | S | 78.6 | Confident | 86.6 | Confident | 61 Ų | 61 | 66.9 Ų | 66.9 | 43% | 0.427 | 37% | 0.366 | S | S | . | . | trans | -67.5 | 122.7 | 179.3 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | N217 S233 | N217-S221 WeakPolarHBondContact O-CA 3.49Å; N217-S221 WeakPolarHBondContact O-CB 3.4Å; N217-S221 PolarHBondContact O-N 2.89Å; S221-S233 PolarHBondContact O-OG 2.79Å | ||
| 222 | G | 71.9 | Confident | 86.4 | Confident | 55 Ų | 55 | 67.8 Ų | 67.8 | 57% | 0.567 | 37% | 0.371 | S | S | * | . | trans | -62.5 | -178.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M220 S224 S233 | M220-G222 PolarHBondContact O-N 3.21Å; G222-S224 PolarHBondContact O-N 3.27Å; G222-S233 PolarHBondContact O-OG 3.39Å | ||
| 223 | Y | 79.5 | Confident | 86.2 | Confident | 168 Ų | 168 | 67.2 Ų | 67.2 | 66% | 0.659 | 37% | 0.368 | S | S | * | . | trans | -46.2 | 122.3 | -178 | -179.9 | -106.6 | 0 | 0 | 0 | 113.3 | P225 D228 | Y223-P225 HydrophobicContact CD1-CG 4.33Å; Y223-P225 HydrophobicContact CE1-CB 4.28Å; Y223-P225 HydrophobicContact CE1-CG 3.79Å; Y223-D228 HydrophobicContact CD2-CB 3.72Å; Y223-D228 HydrophobicContact CE2-CB 3.65Å | ||
| 224 | S | 83.3 | Confident | 86.1 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 25% | 0.245 | 35% | 0.348 | C | S | . | . | trans | -117.3 | 113.3 | 171 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | G222 E226 H227 D228 | G222-S224 PolarHBondContact O-N 3.27Å; S224-E226 PolarHBondContact O-N 3.1Å; S224-H227 PolarHBondContact O-N 3.35Å; S224-H227 VanDerWaalsContact O-N 3.11Å; S224-D228 WeakPolarHBondContact O-CB 3.49Å; S224-D228 PolarHBondContact O-N 3.37Å | ||
| 225 | P | 83.2 | Confident | 86.2 | Confident | 100 Ų | 100 | 61.1 Ų | 61.1 | 65% | 0.649 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.9 | -172.6 | -24.9 | 31 | 0 | 0 | 0 | 115.2 | Y223 | Y223-P225 HydrophobicContact CD1-CG 4.33Å; Y223-P225 HydrophobicContact CE1-CB 4.28Å; Y223-P225 HydrophobicContact CE1-CG 3.79Å |
| 226 | E | 84.1 | Confident | 86.2 | Confident | 166 Ų | 166 | 67.9 Ų | 67.9 | 78% | 0.776 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -20.1 | -176.7 | -61.5 | -167.3 | 174.9 | 0 | 0 | 113.5 | S224 | S224-E226 PolarHBondContact O-N 3.1Š|
| 227 | H | 86.7 | Confident | 86.3 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | -11.3 | -167.4 | -55.2 | -35.7 | 0 | 0 | 0 | 113.7 | H180 S224 D234 | H180-H227 AromaticContact CD2-CD2 3.93Å; H180-H227 AromaticContact CD2-NE2 3.87Å; H180-H227 AromaticContact CE1-CD2 3.46Å; H180-H227 PolarHBondContact CE1-CD2 3.03Å; H180-H227 VanDerWaalsContact CE1-CD2 3.46Å; H180-H227 AromaticContact CG-CD2 3.49Å; H180-H227 VanDerWaalsContact CG-CD2 3.49Å; H180-H227 AromaticContact CG-NE2 3.46Å; H180-H227 AromaticContact ND1-CD2 3.18Å; H180-H227 PolarHBondContact ND1-CD2 3.36Å; H180-H227 AromaticContact ND1-CG 3.69Å; H180-H227 AromaticContact ND1-NE2 3.68Å; H180-H227 AromaticContact NE2-CD2 3.92Å; S224-H227 PolarHBondContact O-N 3.35Å; S224-H227 VanDerWaalsContact O-N 3.11Å; H227-D234 HydrophobicContact CB-CB 3.93Å; H227-D234 WeakPolarHBondContact O-CA 3.1Å; H227-D234 PolarHBondContact O-N 2.95Å |
| 228 | D | 87.6 | Confident | 86.4 | Confident | 34 Ų | 34 | 59.6 Ų | 59.6 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 128.6 | 176.8 | -174.5 | 82.6 | 0 | 0 | 0 | 111 | Y223 S224 G231 I232 | Y223-D228 HydrophobicContact CD2-CB 3.72Å; Y223-D228 HydrophobicContact CE2-CB 3.65Å; S224-D228 WeakPolarHBondContact O-CB 3.49Å; S224-D228 PolarHBondContact O-N 3.37Å; D228-G231 WeakPolarHBondContact OD1-CA 3.43Å; D228-G231 PolarHBondContact OD1-N 3.34Å; D228-G231 PolarHBondContact OD2-N 3.03Å; D228-I232 WeakPolarHBondContact CA-O 3.4Å; D228-I232 PolarHBondContact OD1-N 3.22Å; D228-I232 VanDerWaalsContact OD1-N 3.08Å |
| 229 | V | 87.9 | Confident | 86.7 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 35% | 0.345 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 107.9 | 167.6 | -171.8 | 0 | 0 | 0 | 0 | 107.6 | G231 I232 P235 V276 | V229-G231 VanDerWaalsContact C-N 3.33Å; V229-G231 PolarHBondContact O-N 3.22Å; V229-I232 PolarHBondContact N-O 3.46Å; V229-I232 PolarHBondContact O-N 3.16Å; V229-P235 HydrophobicContact CB-CG 4.15Å; V229-P235 HydrophobicContact CG2-CG 4.08Å; V229-V276 HydrophobicContact CB-CG2 4.37Å; V229-V276 HydrophobicContact CG1-CG2 3.78Å |
| 230 | T | 84.4 | Confident | 87 | Confident | 82 Ų | 82 | 61.1 Ų | 61.1 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 36.7 | 176.6 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 231 | G | 82.9 | Confident | 87.5 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 57% | 0.567 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | 1.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | D228 V229 | D228-G231 WeakPolarHBondContact OD1-CA 3.43Å; D228-G231 PolarHBondContact OD1-N 3.34Å; D228-G231 PolarHBondContact OD2-N 3.03Å; V229-G231 VanDerWaalsContact C-N 3.33Å; V229-G231 PolarHBondContact O-N 3.22Å |
| 232 | I | 87.6 | Confident | 88.2 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 122.5 | 176.6 | -59.3 | 176.1 | 0 | 0 | 0 | 109.9 | D228 V229 D234 P235 V276 G277 I280 | D228-I232 WeakPolarHBondContact CA-O 3.4Å; D228-I232 PolarHBondContact OD1-N 3.22Å; D228-I232 VanDerWaalsContact OD1-N 3.08Å; V229-I232 PolarHBondContact N-O 3.46Å; V229-I232 PolarHBondContact O-N 3.16Å; I232-D234 PolarHBondContact O-N 3.17Å; I232-P235 HydrophobicContact CG2-CB 4.44Å; I232-V276 HydrophobicContact CB-CG1 4.16Å; I232-V276 HydrophobicContact CD1-CB 4.22Å; I232-V276 HydrophobicContact CD1-CG1 3.98Å; I232-V276 HydrophobicContact CG2-CG1 4.39Å; I232-G277 VanDerWaalsContact CD1-CA 3.42Å; I232-I280 HydrophobicContact CD1-CD1 4.39Å; I232-I280 HydrophobicContact CG2-CD1 3.53Å |
| 233 | S | 88.8 | Confident | 89.3 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 113.1 | 178.8 | -65.8 | 0 | 0 | 0 | 0 | 112.8 | S221 G222 Q238 | S221-S233 PolarHBondContact O-OG 2.79Å; G222-S233 PolarHBondContact O-OG 3.39Å; S233-Q238 PolarHBondContact O-NE2 3.43Å |
| 234 | D | 90.4 | Very high | 90 | Very high | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | trans | 46.9 | 67.4 | 175.5 | -155.9 | -16 | 0 | 0 | 0 | 116 | H180 L218 H227 I232 F236 L237 Q238 | H180-D234 WeakPolarHBondContact CB-OD2 3.42Å; H180-D234 IonicContact CE1-OD2 3.54Å; H180-D234 IonicContact CG-OD2 2.83Å; H180-D234 IonicContact ND1-OD2 3.27Å; H180-D234 PolarHBondContact ND1-OD2 3.39Å; L218-D234 HydrophobicContact CD2-CB 4.43Å; H227-D234 HydrophobicContact CB-CB 3.93Å; H227-D234 WeakPolarHBondContact O-CA 3.1Å; H227-D234 PolarHBondContact O-N 2.95Å; I232-D234 PolarHBondContact O-N 3.17Å; D234-F236 VanDerWaalsContact C-N 3.28Å; D234-F236 PolarHBondContact O-N 2.88Å; D234-L237 HydrophobicContact CB-CB 4.07Å; D234-L237 PolarHBondContact O-N 3.21Å; D234-L237 WeakPolarHBondContact OD1-CB 3.49Å; D234-L237 PolarHBondContact OD1-N 3.48Å; D234-L237 VanDerWaalsContact OD1-N 3.16Å; D234-L237 WeakPolarHBondContact OD2-CB 3.37Å; D234-Q238 WeakPolarHBondContact O-CG 3.03Å; D234-Q238 PolarHBondContact O-N 3.23Å; D234-Q238 VanDerWaalsContact O-N 3.11Å | ||
| 235 | P | 92.9 | Very high | 90.5 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.065 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -31.3 | -177.6 | 27.8 | -37.8 | 0 | 0 | 0 | 113.6 | V229 I232 Q238 V239 V276 I280 | V229-P235 HydrophobicContact CB-CG 4.15Å; V229-P235 HydrophobicContact CG2-CG 4.08Å; I232-P235 HydrophobicContact CG2-CB 4.44Å; P235-Q238 PolarHBondContact O-N 3.35Å; P235-V239 WeakPolarHBondContact O-CG2 3.11Å; P235-V239 PolarHBondContact O-N 2.89Å; P235-V276 HydrophobicContact CB-CG1 3.29Å; P235-V276 HydrophobicContact CG-CG1 3.48Å; P235-V276 VanDerWaalsContact CG-CG1 3.48Å; P235-I280 HydrophobicContact CB-CD1 3.93Å; P235-I280 HydrophobicContact CB-CG1 4.36Å |
| 236 | F | 94.3 | Very high | 91 | Very high | 142 Ų | 142 | 40.1 Ų | 40.1 | 62% | 0.623 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.5 | -43.2 | 179.6 | -63.3 | -76.4 | 0 | 0 | 0 | 111.1 | I184 D234 K240 | I184-F236 HydrophobicContact CD1-CB 3.86Å; D234-F236 VanDerWaalsContact C-N 3.28Å; D234-F236 PolarHBondContact O-N 2.88Å; F236-K240 VanDerWaalsContact O-CG 3.26Å; F236-K240 WeakPolarHBondContact O-CG 3.46Å; F236-K240 PolarHBondContact O-N 3.05Å |
| 237 | L | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | 174.5 | 178.2 | 59.1 | 0 | 0 | 0 | 111.3 | H180 L183 I184 I187 L218 D234 V239 K240 I241 | H180-L237 HydrophobicContact CB-CD2 4.45Å; L183-L237 HydrophobicContact CB-CD1 4.45Å; L183-L237 HydrophobicContact CD2-CD1 4.04Å; L183-L237 HydrophobicContact CD2-CD2 3.74Å; L183-L237 HydrophobicContact CD2-CG 4.49Å; L183-L237 HydrophobicContact CG-CD1 3.89Å; L183-L237 HydrophobicContact CG-CD2 4.41Å; I184-L237 HydrophobicContact CB-CD1 4.24Å; I187-L237 HydrophobicContact CD1-CD1 3.45Å; I187-L237 VanDerWaalsContact CD1-CD1 3.45Å; L218-L237 HydrophobicContact CD1-CB 4.47Å; L218-L237 HydrophobicContact CD1-CD2 3.64Å; L218-L237 HydrophobicContact CD1-CG 3.82Å; L218-L237 HydrophobicContact CD2-CD2 4.24Å; D234-L237 HydrophobicContact CB-CB 4.07Å; D234-L237 PolarHBondContact O-N 3.21Å; D234-L237 WeakPolarHBondContact OD1-CB 3.49Å; D234-L237 PolarHBondContact OD1-N 3.48Å; D234-L237 VanDerWaalsContact OD1-N 3.16Å; D234-L237 WeakPolarHBondContact OD2-CB 3.37Å; L237-V239 PolarHBondContact O-N 3.42Å; L237-K240 PolarHBondContact O-N 2.97Å; L237-K240 VanDerWaalsContact O-N 3.17Å; L237-I241 HydrophobicContact CD1-CD1 4Å; L237-I241 HydrophobicContact CD1-CG1 4.14Å; L237-I241 HydrophobicContact CG-CD1 3.9Å; L237-I241 HydrophobicContact CG-CG1 4.45Å; L237-I241 VanDerWaalsContact O-CG1 3.32Å; L237-I241 WeakPolarHBondContact O-CG1 3.37Å; L237-I241 PolarHBondContact O-N 3.04Å |
| 238 | Q | 93.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.8 | -49 | 177.2 | -67.5 | -172.2 | 29.2 | 0 | 0 | 111.9 | L215 L218 S233 D234 P235 K240 I241 L242 I280 | L215-Q238 HydrophobicContact CD1-CB 4.03Å; L215-Q238 HydrophobicContact CD1-CG 3.89Å; L218-Q238 HydrophobicContact CB-CG 4.14Å; L218-Q238 HydrophobicContact CD1-CG 3.98Å; S233-Q238 PolarHBondContact O-NE2 3.43Å; D234-Q238 WeakPolarHBondContact O-CG 3.03Å; D234-Q238 PolarHBondContact O-N 3.23Å; D234-Q238 VanDerWaalsContact O-N 3.11Å; P235-Q238 PolarHBondContact O-N 3.35Å; Q238-K240 VanDerWaalsContact C-N 3.32Å; Q238-K240 PolarHBondContact O-N 2.82Å; Q238-I241 PolarHBondContact O-N 2.79Å; Q238-L242 WeakPolarHBondContact O-CG 3.33Å; Q238-L242 PolarHBondContact O-N 3.32Å; Q238-I280 HydrophobicContact CB-CG1 4.35Å |
| 239 | V | 95.8 | Very high | 91.6 | Very high | 27 Ų | 27 | 29.6 Ų | 29.6 | 16% | 0.164 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 177.2 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | P235 L237 L242 K243 I280 E283 | P235-V239 WeakPolarHBondContact O-CG2 3.11Å; P235-V239 PolarHBondContact O-N 2.89Å; L237-V239 PolarHBondContact O-N 3.42Å; V239-L242 PolarHBondContact O-N 2.95Å; V239-K243 HydrophobicContact CG1-CD 4.42Å; V239-K243 WeakPolarHBondContact O-CG 3.21Å; V239-K243 PolarHBondContact O-N 2.99Å; V239-I280 HydrophobicContact CG2-CG1 4.14Å; V239-E283 HydrophobicContact CG1-CB 4.21Å; V239-E283 HydrophobicContact CG1-CG 4.03Å; V239-E283 HydrophobicContact CG2-CB 4.44Å |
| 240 | K | 94.7 | Very high | 91.5 | Very high | 61 Ų | 61 | 33.1 Ų | 33.1 | 27% | 0.265 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -68.5 | -36.8 | 177.2 | -70.7 | -63.5 | -173.2 | 169.3 | 0 | 112.8 | I184 I187 C188 F236 L237 Q238 L244 | I184-K240 HydrophobicContact CD1-CG 4.29Å; I184-K240 HydrophobicContact CG1-CB 4.44Å; I184-K240 HydrophobicContact CG1-CG 3.99Å; I187-K240 HydrophobicContact CG2-CB 3.95Å; I187-K240 WeakPolarHBondContact CG2-O 3.05Å; C188-K240 VanDerWaalsContact SG-CE 3.59Å; F236-K240 VanDerWaalsContact O-CG 3.26Å; F236-K240 WeakPolarHBondContact O-CG 3.46Å; F236-K240 PolarHBondContact O-N 3.05Å; L237-K240 PolarHBondContact O-N 2.97Å; L237-K240 VanDerWaalsContact O-N 3.17Å; Q238-K240 VanDerWaalsContact C-N 3.32Å; Q238-K240 PolarHBondContact O-N 2.82Å; K240-L244 PolarHBondContact O-N 2.8Å; K240-L244 VanDerWaalsContact O-N 3.09Å |
| 241 | I | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 173.2 | -65.6 | 167.1 | 0 | 0 | 0 | 110 | I187 L211 I214 L215 L218 L237 Q238 K243 L244 L245 | I187-I241 HydrophobicContact CD1-CD1 4.28Å; I187-I241 HydrophobicContact CD1-CG1 3.54Å; L211-I241 HydrophobicContact CB-CG2 4.24Å; I214-I241 HydrophobicContact CG2-CD1 3.84Å; L215-I241 HydrophobicContact CB-CG2 4.16Å; L215-I241 HydrophobicContact CD2-CG2 4.28Å; L218-I241 HydrophobicContact CD1-CD1 3.91Å; L237-I241 HydrophobicContact CD1-CD1 4Å; L237-I241 HydrophobicContact CD1-CG1 4.14Å; L237-I241 HydrophobicContact CG-CD1 3.9Å; L237-I241 HydrophobicContact CG-CG1 4.45Å; L237-I241 VanDerWaalsContact O-CG1 3.32Å; L237-I241 WeakPolarHBondContact O-CG1 3.37Å; L237-I241 PolarHBondContact O-N 3.04Å; Q238-I241 PolarHBondContact O-N 2.79Å; I241-K243 PolarHBondContact O-N 2.9Å; I241-L244 PolarHBondContact O-N 2.83Å; I241-L244 VanDerWaalsContact O-N 3.15Å; I241-L245 HydrophobicContact CG2-CD1 4.01Å; I241-L245 HydrophobicContact CG2-CG 4.23Å; I241-L245 WeakPolarHBondContact O-CG 3.07Å; I241-L245 PolarHBondContact O-N 2.85Å |
| 242 | L | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 177.8 | -71.5 | 168.2 | 0 | 0 | 0 | 111.9 | L215 Q238 V239 L244 L245 R246 L263 I280 E283 T284 T287 | L215-L242 HydrophobicContact CD2-CD2 3.86Å; L215-L242 HydrophobicContact CD2-CG 4.3Å; Q238-L242 WeakPolarHBondContact O-CG 3.33Å; Q238-L242 PolarHBondContact O-N 3.32Å; V239-L242 PolarHBondContact O-N 2.95Å; L242-L244 VanDerWaalsContact C-N 3.32Å; L242-L244 PolarHBondContact O-N 2.66Å; L242-L245 PolarHBondContact O-N 3.04Å; L242-R246 PolarHBondContact O-N 2.79Å; L242-L263 HydrophobicContact CD2-CD2 3.74Å; L242-I280 HydrophobicContact CD1-CG2 4.13Å; L242-E283 HydrophobicContact CB-CB 4.38Å; L242-E283 HydrophobicContact CB-CG 3.66Å; L242-E283 HydrophobicContact CD1-CB 4.19Å; L242-E283 HydrophobicContact CD1-CG 4.37Å; L242-T284 WeakPolarHBondContact CD1-OG1 3.31Å; L242-T287 PolarHBondContact O-OG1 3.1Å |
| 243 | K | 95 | Very high | 91.7 | Very high | 55 Ų | 55 | 35.5 Ų | 35.5 | 24% | 0.239 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.8 | -43.6 | 173 | -78.6 | -178.5 | -179.6 | -168.9 | 0 | 112.8 | V239 I241 R246 L247 E283 | V239-K243 HydrophobicContact CG1-CD 4.42Å; V239-K243 WeakPolarHBondContact O-CG 3.21Å; V239-K243 PolarHBondContact O-N 2.99Å; I241-K243 PolarHBondContact O-N 2.9Å; K243-R246 WeakPolarHBondContact O-CB 3.46Å; K243-R246 PolarHBondContact O-N 2.86Å; K243-L247 PolarHBondContact O-N 2.96Å; K243-E283 VanDerWaalsContact CE-CD 3.41Å; K243-E283 WeakPolarHBondContact CE-OE2 3.49Å; K243-E283 HydrophobicContact CG-CG 3.98Å; K243-E283 WeakPolarHBondContact CG-OE1 3.48Å; K243-E283 IonicContact NZ-OE2 2.63Å |
| 244 | L | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.7 | -41.8 | 177.3 | -179.9 | 58.9 | 0 | 0 | 0 | 111.5 | I187 I190 L211 K240 I241 L242 R246 L247 L248 | I187-L244 HydrophobicContact CG2-CB 4.15Å; I187-L244 HydrophobicContact CG2-CD2 4Å; I190-L244 HydrophobicContact CB-CD2 4.5Å; I190-L244 HydrophobicContact CG2-CD1 3.92Å; I190-L244 HydrophobicContact CG2-CD2 4.06Å; L211-L244 HydrophobicContact CD1-CD2 3.6Å; L211-L244 HydrophobicContact CD1-CG 4.06Å; L211-L244 HydrophobicContact CD2-CD2 4.31Å; K240-L244 PolarHBondContact O-N 2.8Å; K240-L244 VanDerWaalsContact O-N 3.09Å; I241-L244 PolarHBondContact O-N 2.83Å; I241-L244 VanDerWaalsContact O-N 3.15Å; L242-L244 VanDerWaalsContact C-N 3.32Å; L242-L244 PolarHBondContact O-N 2.66Å; L244-R246 VanDerWaalsContact C-N 3.33Å; L244-R246 PolarHBondContact O-N 3.39Å; L244-L247 PolarHBondContact O-N 2.82Å; L244-L248 HydrophobicContact CD1-CD1 4Å; L244-L248 HydrophobicContact CD1-CD2 4.47Å; L244-L248 HydrophobicContact CD1-CG 3.97Å; L244-L248 HydrophobicContact CD2-CD1 4.43Å; L244-L248 HydrophobicContact CG-CD1 3.82Å; L244-L248 HydrophobicContact CG-CG 4.24Å; L244-L248 WeakPolarHBondContact O-CB 3.49Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.48Å; L244-L248 PolarHBondContact O-N 3.31Å |
| 245 | L | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -41.4 | 175.4 | -73.3 | 175.2 | 0 | 0 | 0 | 111.8 | V208 L211 V212 L215 I241 L242 L247 L248 G249 M259 T287 | V208-L245 HydrophobicContact CG1-CD2 4Å; L211-L245 HydrophobicContact CB-CD2 4.22Å; L211-L245 HydrophobicContact CD1-CD2 4.46Å; V212-L245 HydrophobicContact CG2-CD2 4.37Å; L215-L245 HydrophobicContact CD2-CD1 4.12Å; I241-L245 HydrophobicContact CG2-CD1 4.01Å; I241-L245 HydrophobicContact CG2-CG 4.23Å; I241-L245 WeakPolarHBondContact O-CG 3.07Å; I241-L245 PolarHBondContact O-N 2.85Å; L242-L245 PolarHBondContact O-N 3.04Å; L245-L247 VanDerWaalsContact C-N 3.3Å; L245-L247 PolarHBondContact O-N 2.89Å; L245-L248 PolarHBondContact O-N 2.93Å; L245-G249 PolarHBondContact O-N 3.39Å; L245-M259 HydrophobicContact CB-CE 4.44Å; L245-M259 HydrophobicContact CB-SD 4.07Å; L245-M259 HydrophobicContact CD2-CE 4.15Å; L245-T287 HydrophobicContact CB-CG2 4.48Å |
| 246 | R | 93.5 | Very high | 91.5 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 21% | 0.208 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.5 | -44.6 | 174.2 | -172.1 | 173.4 | 75.3 | -158.4 | -6.2 | 112.1 | L242 K243 L244 R250 E283 L286 T287 D290 | L242-R246 PolarHBondContact O-N 2.79Å; K243-R246 WeakPolarHBondContact O-CB 3.46Å; K243-R246 PolarHBondContact O-N 2.86Å; L244-R246 VanDerWaalsContact C-N 3.33Å; L244-R246 PolarHBondContact O-N 3.39Å; R246-R250 PolarHBondContact O-N 3.32Å; R246-E283 IonicContact CZ-OE1 3.94Å; R246-E283 VanDerWaalsContact CZ-OE1 3.29Å; R246-E283 IonicContact NH1-OE1 3.08Å; R246-E283 PolarHBondContact NH1-OE1 3.42Å; R246-E283 IonicContact NH2-OE1 3.87Å; R246-L286 WeakPolarHBondContact CD-O 3.29Å; R246-L286 VanDerWaalsContact NH1-CB 3.33Å; R246-T287 HydrophobicContact CB-CG2 3.93Å; R246-D290 VanDerWaalsContact CD-OD2 3.24Å; R246-D290 WeakPolarHBondContact CD-OD2 3.49Å; R246-D290 HydrophobicContact CG-CB 3.69Å; R246-D290 IonicContact NE-OD2 3.36Å |
| 247 | L | 92.4 | Very high | 91.3 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 15% | 0.152 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.6 | -45.2 | 179 | -174.6 | 65.7 | 0 | 0 | 0 | 112.1 | Q191 C194 E195 L201 K243 L244 L245 R250 | Q191-L247 HydrophobicContact CG-CD2 4.37Å; C194-L247 HydrophobicContact CB-CD2 3.34Å; C194-L247 HydrophobicContact CB-CG 4.16Å; E195-L247 HydrophobicContact CG-CD1 4.16Å; E195-L247 HydrophobicContact CG-CD2 3.66Å; L201-L247 HydrophobicContact CD1-CG 4.38Å; K243-L247 PolarHBondContact O-N 2.96Å; L244-L247 PolarHBondContact O-N 2.82Å; L245-L247 VanDerWaalsContact C-N 3.3Å; L245-L247 PolarHBondContact O-N 2.89Å; L247-R250 PolarHBondContact O-N 3Å |
| 248 | L | 91.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.4 | -33.7 | -179.5 | -67.4 | 175.9 | 0 | 0 | 0 | 112.9 | L201 F204 K205 V208 L211 L244 L245 | L201-L248 HydrophobicContact CG-CD2 4.33Å; F204-L248 HydrophobicContact CB-CD2 4.08Å; K205-L248 VanDerWaalsContact CE-O 3.3Å; K205-L248 WeakPolarHBondContact CE-O 3.4Å; K205-L248 HydrophobicContact CG-CD2 4.43Å; V208-L248 HydrophobicContact CG2-CB 3.92Å; V208-L248 HydrophobicContact CG2-CD1 3.74Å; V208-L248 HydrophobicContact CG2-CG 4.45Å; L211-L248 HydrophobicContact CD1-CD1 3.86Å; L244-L248 HydrophobicContact CD1-CD1 4Å; L244-L248 HydrophobicContact CD1-CD2 4.47Å; L244-L248 HydrophobicContact CD1-CG 3.97Å; L244-L248 HydrophobicContact CD2-CD1 4.43Å; L244-L248 HydrophobicContact CG-CD1 3.82Å; L244-L248 HydrophobicContact CG-CG 4.24Å; L244-L248 WeakPolarHBondContact O-CB 3.49Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.48Å; L244-L248 PolarHBondContact O-N 3.31Å; L245-L248 PolarHBondContact O-N 2.93Å |
| 249 | G | 87.1 | Confident | 91.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -81.5 | -10.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L245 N251 D252 S256 | L245-G249 PolarHBondContact O-N 3.39Å; G249-N251 PolarHBondContact O-N 2.99Å; G249-N251 VanDerWaalsContact O-N 3.16Å; G249-D252 PolarHBondContact O-N 2.8Å; G249-D252 VanDerWaalsContact O-N 3.16Å; G249-S256 PolarHBondContact O-OG 2.85Å |
| 250 | R | 86.1 | Confident | 90.9 | Very high | 130 Ų | 130 | 44 Ų | 44 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 121.8 | -179.3 | -164.2 | 174.3 | -178.5 | 174.1 | 0.4 | 109.9 | R246 L247 D252 | R246-R250 PolarHBondContact O-N 3.32Å; L247-R250 PolarHBondContact O-N 3Å; R250-D252 VanDerWaalsContact C-N 3.26Å; R250-D252 PolarHBondContact O-N 2.8Å |
| 251 | N | 82.6 | Confident | 90.7 | Very high | 114 Ų | 114 | 46.2 Ų | 46.2 | 61% | 0.61 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 19.7 | -177.9 | -58 | -40 | 0 | 0 | 0 | 116.1 | G249 | G249-N251 PolarHBondContact O-N 2.99Å; G249-N251 VanDerWaalsContact O-N 3.16Å |
| 252 | D | 87.2 | Confident | 90.7 | Very high | 31 Ų | 31 | 46.3 Ų | 46.3 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | trans | -125.9 | 117.1 | -179.2 | -170 | 19.5 | 0 | 0 | 0 | 112.9 | K205 G249 R250 S255 S256 | K205-D252 WeakPolarHBondContact CD-OD2 3.48Å; K205-D252 WeakPolarHBondContact CE-OD2 3.44Å; K205-D252 VanDerWaalsContact NZ-CB 3.33Å; K205-D252 VanDerWaalsContact NZ-CG 3.28Å; K205-D252 IonicContact NZ-OD1 3.33Å; K205-D252 IonicContact NZ-OD2 2.92Å; K205-D252 PolarHBondContact NZ-OD2 3.06Å; K205-D252 VanDerWaalsContact NZ-OD2 3.13Å; G249-D252 PolarHBondContact O-N 2.8Å; G249-D252 VanDerWaalsContact O-N 3.16Å; R250-D252 VanDerWaalsContact C-N 3.26Å; R250-D252 PolarHBondContact O-N 2.8Å; D252-S255 VanDerWaalsContact OD2-CB 3.27Å; D252-S255 WeakPolarHBondContact OD2-CB 2.93Å; D252-S255 PolarHBondContact OD2-OG 3.31Å; D252-S256 VanDerWaalsContact O-CB 3.23Å; D252-S256 WeakPolarHBondContact O-CB 3.4Å; D252-S256 PolarHBondContact O-N 2.88Å; D252-S256 PolarHBondContact O-OG 2.89Å | ||
| 253 | S | 87.6 | Confident | 90.6 | Very high | 63 Ų | 63 | 46.3 Ų | 46.3 | 44% | 0.441 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -72.3 | -44.4 | -176.3 | -154.4 | 0 | 0 | 0 | 0 | 112 | S255 S256 E257 | S253-S255 PolarHBondContact O-N 2.64Å; S253-S256 PolarHBondContact O-N 3.13Å; S253-E257 WeakPolarHBondContact O-CG 3.38Å; S253-E257 PolarHBondContact O-N 3.13Å; S253-E257 PolarHBondContact OG-OE1 3.34Å |
| 254 | E | 89.4 | Confident | 90.5 | Very high | 149 Ų | 149 | 45.3 Ų | 45.3 | 70% | 0.696 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65 | -45.9 | -174.6 | -173.4 | -176.6 | 174.1 | 0 | 0 | 111.6 | S256 E257 T258 | E254-S256 VanDerWaalsContact C-N 3.34Å; E254-S256 PolarHBondContact O-N 2.8Å; E254-E257 PolarHBondContact O-N 3.12Å; E254-T258 PolarHBondContact O-N 3.43Å; E254-T258 VanDerWaalsContact O-N 3.11Å; E254-T258 PolarHBondContact O-OG1 2.96Å |
| 255 | S | 89.5 | Confident | 90.5 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 174.2 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | D252 S253 T258 M259 | D252-S255 VanDerWaalsContact OD2-CB 3.27Å; D252-S255 WeakPolarHBondContact OD2-CB 2.93Å; D252-S255 PolarHBondContact OD2-OG 3.31Å; S253-S255 PolarHBondContact O-N 2.64Å; S255-T258 PolarHBondContact O-N 2.72Å; S255-M259 WeakPolarHBondContact O-CE 3.38Å; S255-M259 WeakPolarHBondContact O-CG 3.48Å; S255-M259 PolarHBondContact O-N 3.41Å |
| 256 | S | 89.4 | Confident | 90.4 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 178.7 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | G249 D252 S253 E254 T258 M259 N260 | G249-S256 PolarHBondContact O-OG 2.85Å; D252-S256 VanDerWaalsContact O-CB 3.23Å; D252-S256 WeakPolarHBondContact O-CB 3.4Å; D252-S256 PolarHBondContact O-N 2.88Å; D252-S256 PolarHBondContact O-OG 2.89Å; S253-S256 PolarHBondContact O-N 3.13Å; E254-S256 VanDerWaalsContact C-N 3.34Å; E254-S256 PolarHBondContact O-N 2.8Å; S256-T258 VanDerWaalsContact C-N 3.33Å; S256-T258 PolarHBondContact O-N 3.38Å; S256-M259 VanDerWaalsContact O-CG 3.26Å; S256-M259 WeakPolarHBondContact O-CG 3.18Å; S256-M259 PolarHBondContact O-N 2.95Å; S256-N260 PolarHBondContact O-N 2.91Å; S256-N260 PolarHBondContact O-ND2 3.13Å; S256-N260 PolarHBondContact O-OD1 3.25Å |
| 257 | E | 90.2 | Very high | 90.4 | Very high | 133 Ų | 133 | 44.5 Ų | 44.5 | 62% | 0.621 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60 | -43.2 | 175.8 | -76.9 | 175.7 | -155.1 | 0 | 0 | 111.8 | S253 E254 M259 N260 | S253-E257 WeakPolarHBondContact O-CG 3.38Å; S253-E257 PolarHBondContact O-N 3.13Å; S253-E257 PolarHBondContact OG-OE1 3.34Å; E254-E257 PolarHBondContact O-N 3.12Å; E257-M259 PolarHBondContact O-N 3.29Å; E257-N260 PolarHBondContact O-N 3.29Å |
| 258 | T | 90.2 | Very high | 90.3 | Very high | 61 Ų | 61 | 47.4 Ų | 47.4 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.5 | -30.7 | 178.3 | -55.8 | 0 | 0 | 0 | 0 | 112.8 | V208 P209 E254 S255 S256 | V208-T258 HydrophobicContact CG1-CG2 4.45Å; P209-T258 HydrophobicContact CB-CG2 4.46Å; P209-T258 HydrophobicContact CG-CG2 4.19Å; E254-T258 PolarHBondContact O-N 3.43Å; E254-T258 VanDerWaalsContact O-N 3.11Å; E254-T258 PolarHBondContact O-OG1 2.96Å; S255-T258 PolarHBondContact O-N 2.72Å; S256-T258 VanDerWaalsContact C-N 3.33Å; S256-T258 PolarHBondContact O-N 3.38Å |
| 259 | M | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -95.9 | -10.3 | -179.1 | 69.3 | -177.9 | 77.6 | 0 | 0 | 114.6 | V208 V212 L245 S255 S256 E257 D261 I262 L263 I291 | V208-M259 HydrophobicContact CG1-CE 4Å; V212-M259 HydrophobicContact CG2-CB 4.15Å; L245-M259 HydrophobicContact CB-CE 4.44Å; L245-M259 HydrophobicContact CB-SD 4.07Å; L245-M259 HydrophobicContact CD2-CE 4.15Å; S255-M259 WeakPolarHBondContact O-CE 3.38Å; S255-M259 WeakPolarHBondContact O-CG 3.48Å; S255-M259 PolarHBondContact O-N 3.41Å; S256-M259 VanDerWaalsContact O-CG 3.26Å; S256-M259 WeakPolarHBondContact O-CG 3.18Å; S256-M259 PolarHBondContact O-N 2.95Å; E257-M259 PolarHBondContact O-N 3.29Å; M259-D261 VanDerWaalsContact C-N 3.34Å; M259-D261 PolarHBondContact O-N 3.05Å; M259-I262 HydrophobicContact CB-CG2 4.22Å; M259-I262 WeakPolarHBondContact O-CG2 3.31Å; M259-I262 PolarHBondContact O-N 3.48Å; M259-L263 HydrophobicContact CG-CD1 3.97Å; M259-L263 VanDerWaalsContact O-CG 3.32Å; M259-L263 WeakPolarHBondContact O-CG 3.49Å; M259-L263 PolarHBondContact O-N 3.3Å; M259-L263 HydrophobicContact SD-CD1 4.31Å; M259-I291 HydrophobicContact CG-CD1 4.13Å; M259-I291 HydrophobicContact SD-CD1 3.86Å; M259-I291 HydrophobicContact SD-CG2 4.45Å |
| 260 | N | 91.8 | Very high | 90.4 | Very high | 29 Ų | 29 | 53 Ų | 53 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -41.7 | -177.8 | -79 | -23.5 | 0 | 0 | 0 | 112.7 | S256 E257 L263 A264 | S256-N260 PolarHBondContact O-N 2.91Å; S256-N260 PolarHBondContact O-ND2 3.13Å; S256-N260 PolarHBondContact O-OD1 3.25Å; E257-N260 PolarHBondContact O-N 3.29Å; N260-L263 PolarHBondContact O-N 2.92Å; N260-A264 WeakPolarHBondContact O-CB 3.46Å; N260-A264 PolarHBondContact O-N 3.5Å |
| 261 | D | 92 | Very high | 90.4 | Very high | 109 Ų | 109 | 52.6 Ų | 52.6 | 58% | 0.583 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.7 | -47.2 | 178.7 | -178 | 51.2 | 0 | 0 | 0 | 111.8 | M259 L263 A264 Q265 | M259-D261 VanDerWaalsContact C-N 3.34Å; M259-D261 PolarHBondContact O-N 3.05Å; D261-L263 PolarHBondContact O-N 3.42Å; D261-A264 PolarHBondContact O-N 3.31Å; D261-Q265 WeakPolarHBondContact O-CB 3.48Å; D261-Q265 PolarHBondContact O-N 3.12Å |
| 262 | I | 93.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.4 | -36 | 179.4 | -170.5 | 59.7 | 0 | 0 | 0 | 111.9 | V212 L215 K216 L219 M259 Q265 V266 | V212-I262 HydrophobicContact CB-CG2 4.32Å; V212-I262 HydrophobicContact CG1-CB 3.88Å; V212-I262 HydrophobicContact CG1-CG1 4.4Å; V212-I262 HydrophobicContact CG1-CG2 3.74Å; V212-I262 HydrophobicContact CG2-CG2 3.91Å; L215-I262 HydrophobicContact CB-CG1 4.34Å; L215-I262 HydrophobicContact CD2-CG1 3.84Å; L215-I262 HydrophobicContact CG-CD1 4.45Å; L215-I262 HydrophobicContact CG-CG1 4.02Å; K216-I262 HydrophobicContact CB-CD1 3.84Å; K216-I262 HydrophobicContact CG-CD1 4.33Å; L219-I262 HydrophobicContact CD1-CD1 3.48Å; L219-I262 VanDerWaalsContact CD1-CD1 3.48Å; L219-I262 HydrophobicContact CD1-CG1 4.44Å; M259-I262 HydrophobicContact CB-CG2 4.22Å; M259-I262 WeakPolarHBondContact O-CG2 3.31Å; M259-I262 PolarHBondContact O-N 3.48Å; I262-Q265 HydrophobicContact CD1-CB 4.39Å; I262-Q265 PolarHBondContact O-N 3.28Å; I262-V266 HydrophobicContact CD1-CG2 4.4Å; I262-V266 HydrophobicContact CG1-CG2 4.29Å; I262-V266 WeakPolarHBondContact O-CG2 3.39Å; I262-V266 PolarHBondContact O-N 3.36Å |
| 263 | L | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 176.4 | -70 | 172.5 | 0 | 0 | 0 | 111.4 | L242 M259 N260 D261 V266 A267 T284 T287 I288 I291 L297 | L242-L263 HydrophobicContact CD2-CD2 3.74Å; M259-L263 HydrophobicContact CG-CD1 3.97Å; M259-L263 VanDerWaalsContact O-CG 3.32Å; M259-L263 WeakPolarHBondContact O-CG 3.49Å; M259-L263 PolarHBondContact O-N 3.3Å; M259-L263 HydrophobicContact SD-CD1 4.31Å; N260-L263 PolarHBondContact O-N 2.92Å; D261-L263 PolarHBondContact O-N 3.42Å; L263-V266 PolarHBondContact O-N 2.9Å; L263-A267 WeakPolarHBondContact O-CB 3.48Å; L263-A267 PolarHBondContact O-N 3.42Å; L263-T284 HydrophobicContact CD2-CG2 4.05Å; L263-T287 HydrophobicContact CD1-CG2 4.09Å; L263-T287 HydrophobicContact CD2-CG2 3.8Å; L263-I288 HydrophobicContact CB-CD1 4.43Å; L263-I288 HydrophobicContact CB-CG1 4.16Å; L263-I288 HydrophobicContact CD1-CG1 4.1Å; L263-I291 HydrophobicContact CD1-CD1 3.42Å; L263-I291 VanDerWaalsContact CD1-CD1 3.42Å; L263-L297 HydrophobicContact CB-CD2 4.02Å; L263-L297 HydrophobicContact CD1-CD2 4.47Å |
| 264 | A | 93 | Very high | 90.5 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N260 D261 A267 T268 L297 | N260-A264 WeakPolarHBondContact O-CB 3.46Å; N260-A264 PolarHBondContact O-N 3.5Å; D261-A264 PolarHBondContact O-N 3.31Å; A264-A267 PolarHBondContact O-N 2.9Å; A264-T268 WeakPolarHBondContact O-CB 3.44Å; A264-T268 WeakPolarHBondContact O-CG2 3.47Å; A264-T268 PolarHBondContact O-N 3.4Å; A264-T268 VanDerWaalsContact O-N 3.11Å; A264-T268 PolarHBondContact O-OG1 3.45Å; A264-L297 HydrophobicContact CB-CD1 4.15Å |
| 265 | Q | 92.5 | Very high | 90.6 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 15% | 0.15 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 177.3 | -167.6 | -179.7 | 2.6 | 0 | 0 | 112.1 | D261 I262 T268 N269 | D261-Q265 WeakPolarHBondContact O-CB 3.48Å; D261-Q265 PolarHBondContact O-N 3.12Å; I262-Q265 HydrophobicContact CD1-CB 4.39Å; I262-Q265 PolarHBondContact O-N 3.28Å; Q265-T268 PolarHBondContact O-N 2.93Å; Q265-T268 PolarHBondContact O-OG1 2.83Å; Q265-N269 WeakPolarHBondContact CG-ND2 3.22Å; Q265-N269 VanDerWaalsContact O-CB 3.27Å; Q265-N269 WeakPolarHBondContact O-CB 3.36Å; Q265-N269 PolarHBondContact O-N 3.28Å |
| 266 | V | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -44.4 | 176.3 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | L215 L219 I262 L263 T268 T270 I280 T284 | L215-V266 HydrophobicContact CD2-CG2 4.22Å; L215-V266 HydrophobicContact CG-CG2 4.45Å; L219-V266 HydrophobicContact CD1-CB 4.33Å; L219-V266 HydrophobicContact CD1-CG2 3.32Å; L219-V266 HydrophobicContact CD2-CG2 4.09Å; L219-V266 HydrophobicContact CG-CG2 4.21Å; I262-V266 HydrophobicContact CD1-CG2 4.4Å; I262-V266 HydrophobicContact CG1-CG2 4.29Å; I262-V266 WeakPolarHBondContact O-CG2 3.39Å; I262-V266 PolarHBondContact O-N 3.36Å; L263-V266 PolarHBondContact O-N 2.9Å; V266-T268 PolarHBondContact O-N 3.25Å; V266-T270 WeakPolarHBondContact CG1-OG1 3.35Å; V266-T270 VanDerWaalsContact O-CB 3.23Å; V266-T270 WeakPolarHBondContact O-CB 3.31Å; V266-T270 PolarHBondContact O-N 2.91Å; V266-T270 PolarHBondContact O-OG1 3.5Å; V266-I280 HydrophobicContact CG1-CG2 3.63Å; V266-T284 HydrophobicContact CB-CG2 4.19Å; V266-T284 HydrophobicContact CG1-CG2 4.08Å; V266-T284 WeakPolarHBondContact CG1-OG1 3.08Å |
| 267 | A | 92.9 | Very high | 90.8 | Very high | 6 Ų | 6 | 54.2 Ų | 54.2 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -26.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L263 A264 T284 L300 I304 | L263-A267 WeakPolarHBondContact O-CB 3.48Å; L263-A267 PolarHBondContact O-N 3.42Å; A264-A267 PolarHBondContact O-N 2.9Å; A267-T284 HydrophobicContact CB-CG2 4.34Å; A267-L300 HydrophobicContact CB-CD2 3.97Å; A267-I304 HydrophobicContact CB-CD1 3.88Å |
| 268 | T | 91.5 | Very high | 90.9 | Very high | 91 Ų | 91 | 48.2 Ų | 48.2 | 56% | 0.558 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -98.7 | -39.1 | -178 | 50.3 | 0 | 0 | 0 | 0 | 113.4 | A264 Q265 V266 L300 | A264-T268 WeakPolarHBondContact O-CB 3.44Å; A264-T268 WeakPolarHBondContact O-CG2 3.47Å; A264-T268 PolarHBondContact O-N 3.4Å; A264-T268 VanDerWaalsContact O-N 3.11Å; A264-T268 PolarHBondContact O-OG1 3.45Å; Q265-T268 PolarHBondContact O-N 2.93Å; Q265-T268 PolarHBondContact O-OG1 2.83Å; V266-T268 PolarHBondContact O-N 3.25Å; T268-L300 HydrophobicContact CG2-CD2 4.37Å |
| 269 | N | 91.1 | Very high | 91.1 | Very high | 101 Ų | 101 | 47.2 Ų | 47.2 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -91.4 | -16 | -173.7 | -67.1 | -23.4 | 0 | 0 | 0 | 114.5 | Q265 E271 | Q265-N269 WeakPolarHBondContact CG-ND2 3.22Å; Q265-N269 VanDerWaalsContact O-CB 3.27Å; Q265-N269 WeakPolarHBondContact O-CB 3.36Å; Q265-N269 PolarHBondContact O-N 3.28Å; N269-E271 PolarHBondContact O-N 3.36Å |
| 270 | T | 89.1 | Confident | 91.1 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 10% | 0.104 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -72.8 | 125.7 | -178.6 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | V266 N272 I280 L281 | V266-T270 WeakPolarHBondContact CG1-OG1 3.35Å; V266-T270 VanDerWaalsContact O-CB 3.23Å; V266-T270 WeakPolarHBondContact O-CB 3.31Å; V266-T270 PolarHBondContact O-N 2.91Å; V266-T270 PolarHBondContact O-OG1 3.5Å; T270-N272 PolarHBondContact O-N 3.49Å; T270-I280 HydrophobicContact CG2-CB 4.23Å; T270-I280 HydrophobicContact CG2-CG2 4.22Å; T270-L281 HydrophobicContact CG2-CD1 4.48Å; T270-L281 HydrophobicContact CG2-CD2 4.41Å; T270-L281 HydrophobicContact CG2-CG 3.97Å |
| 271 | E | 86.5 | Confident | 91.2 | Very high | 121 Ų | 121 | 46 Ų | 46 | 57% | 0.565 | 26% | 0.258 | S | S | * | . | trans | -66.7 | 118.2 | 175.7 | -65 | -170.4 | -175.2 | 0 | 0 | 111.7 | N269 S273 G277 | N269-E271 PolarHBondContact O-N 3.36Å; E271-S273 VanDerWaalsContact C-N 3.28Å; E271-S273 PolarHBondContact O-N 3.39Å; E271-G277 WeakPolarHBondContact O-CA 3.26Å | ||
| 272 | N | 84.6 | Confident | 91.3 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 11.7 | 178.5 | 64.6 | -0.8 | 0 | 0 | 0 | 113.9 | T270 K274 N278 L281 | T270-N272 PolarHBondContact O-N 3.49Å; N272-K274 VanDerWaalsContact C-N 3.34Å; N272-K274 PolarHBondContact O-N 2.86Å; N272-N278 WeakPolarHBondContact CB-OD1 3.27Å; N272-N278 PolarHBondContact O-ND2 3.27Å; N272-N278 VanDerWaalsContact O-ND2 3.12Å; N272-N278 PolarHBondContact O-OD1 3.44Å; N272-L281 HydrophobicContact CB-CD1 3.74Å |
| 273 | S | 85.6 | Confident | 91.3 | Very high | 76 Ų | 76 | 43.9 Ų | 43.9 | 53% | 0.531 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -25.6 | -175.5 | 69.7 | 0 | 0 | 0 | 0 | 113.3 | E271 | E271-S273 VanDerWaalsContact C-N 3.28Å; E271-S273 PolarHBondContact O-N 3.39Å |
| 274 | K | 87.6 | Confident | 91.3 | Very high | 116 Ų | 116 | 43.9 Ų | 43.9 | 50% | 0.504 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -123.7 | 159.6 | -177.3 | -56.1 | -59.4 | 177.1 | -172.9 | 0 | 111.2 | N272 V276 G277 N278 | N272-K274 VanDerWaalsContact C-N 3.34Å; N272-K274 PolarHBondContact O-N 2.86Å; K274-V276 PolarHBondContact O-N 3.33Å; K274-G277 PolarHBondContact O-N 2.91Å; K274-N278 PolarHBondContact O-N 2.84Å; K274-N278 VanDerWaalsContact O-N 3.16Å; K274-N278 PolarHBondContact O-ND2 3.41Å; K274-N278 VanDerWaalsContact O-ND2 3.1Å |
| 275 | N | 91.4 | Very high | 91.3 | Very high | 110 Ų | 110 | 42.2 Ų | 42.2 | 59% | 0.588 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -56.1 | -35 | 177.1 | -170.8 | 27.9 | 0 | 0 | 0 | 112.6 | N278 A279 | N275-N278 PolarHBondContact O-N 3.49Å; N275-A279 WeakPolarHBondContact O-CB 3.32Å; N275-A279 PolarHBondContact O-N 3.39Å |
| 276 | V | 92.4 | Very high | 91.4 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 17% | 0.17 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.6 | -48.9 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | V229 I232 P235 K274 A279 I280 | V229-V276 HydrophobicContact CB-CG2 4.37Å; V229-V276 HydrophobicContact CG1-CG2 3.78Å; I232-V276 HydrophobicContact CB-CG1 4.16Å; I232-V276 HydrophobicContact CD1-CB 4.22Å; I232-V276 HydrophobicContact CD1-CG1 3.98Å; I232-V276 HydrophobicContact CG2-CG1 4.39Å; P235-V276 HydrophobicContact CB-CG1 3.29Å; P235-V276 HydrophobicContact CG-CG1 3.48Å; P235-V276 VanDerWaalsContact CG-CG1 3.48Å; K274-V276 PolarHBondContact O-N 3.33Å; V276-A279 WeakPolarHBondContact O-CB 3.41Å; V276-A279 PolarHBondContact O-N 3.16Å; V276-I280 PolarHBondContact O-N 3.03Å |
| 277 | G | 91.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.5 | -35.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I232 E271 K274 A279 I280 L281 | I232-G277 VanDerWaalsContact CD1-CA 3.42Å; E271-G277 WeakPolarHBondContact O-CA 3.26Å; K274-G277 PolarHBondContact O-N 2.91Å; G277-A279 VanDerWaalsContact C-N 3.29Å; G277-A279 PolarHBondContact O-N 3.08Å; G277-I280 PolarHBondContact O-N 3.38Å; G277-L281 WeakPolarHBondContact O-CB 3.49Å; G277-L281 WeakPolarHBondContact O-CG 3.36Å; G277-L281 PolarHBondContact O-N 3.19Å |
| 278 | N | 92.2 | Very high | 91.4 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -34 | 172.5 | -67.7 | -41.2 | 0 | 0 | 0 | 112.6 | N272 K274 N275 Y282 F308 I316 | N272-N278 WeakPolarHBondContact CB-OD1 3.27Å; N272-N278 PolarHBondContact O-ND2 3.27Å; N272-N278 VanDerWaalsContact O-ND2 3.12Å; N272-N278 PolarHBondContact O-OD1 3.44Å; K274-N278 PolarHBondContact O-N 2.84Å; K274-N278 VanDerWaalsContact O-N 3.16Å; K274-N278 PolarHBondContact O-ND2 3.41Å; K274-N278 VanDerWaalsContact O-ND2 3.1Å; N275-N278 PolarHBondContact O-N 3.49Å; N278-Y282 WeakPolarHBondContact O-CB 3.36Å; N278-Y282 PolarHBondContact O-N 3.25Å; N278-F308 HydrophobicContact CB-CE1 4.44Å; N278-F308 HydrophobicContact CB-CZ 4.04Å; N278-F308 VanDerWaalsContact OD1-CE1 3.24Å; N278-F308 WeakPolarHBondContact OD1-CE1 3.25Å; N278-I316 HydrophobicContact CB-CD1 4.16Å; N278-I316 VanDerWaalsContact ND2-CD1 3.28Å; N278-I316 WeakPolarHBondContact ND2-CD1 3.27Å |
| 279 | A | 93.2 | Very high | 91.2 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 33% | 0.331 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.2 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N275 V276 G277 E283 | N275-A279 WeakPolarHBondContact O-CB 3.32Å; N275-A279 PolarHBondContact O-N 3.39Å; V276-A279 WeakPolarHBondContact O-CB 3.41Å; V276-A279 PolarHBondContact O-N 3.16Å; G277-A279 VanDerWaalsContact C-N 3.29Å; G277-A279 PolarHBondContact O-N 3.08Å; A279-E283 PolarHBondContact O-N 3.34Å; A279-E283 VanDerWaalsContact O-N 3.1Å |
| 280 | I | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.6 | -47.3 | 174 | -68.5 | 158.9 | 0 | 0 | 0 | 110.3 | I232 P235 Q238 V239 L242 V266 T270 V276 G277 Y282 E283 T284 | I232-I280 HydrophobicContact CD1-CD1 4.39Å; I232-I280 HydrophobicContact CG2-CD1 3.53Å; P235-I280 HydrophobicContact CB-CD1 3.93Å; P235-I280 HydrophobicContact CB-CG1 4.36Å; Q238-I280 HydrophobicContact CB-CG1 4.35Å; V239-I280 HydrophobicContact CG2-CG1 4.14Å; L242-I280 HydrophobicContact CD1-CG2 4.13Å; V266-I280 HydrophobicContact CG1-CG2 3.63Å; T270-I280 HydrophobicContact CG2-CB 4.23Å; T270-I280 HydrophobicContact CG2-CG2 4.22Å; V276-I280 PolarHBondContact O-N 3.03Å; G277-I280 PolarHBondContact O-N 3.38Å; I280-Y282 VanDerWaalsContact C-N 3.33Å; I280-Y282 PolarHBondContact O-N 3.12Å; I280-E283 PolarHBondContact O-N 3.01Å; I280-T284 WeakPolarHBondContact O-CB 3.39Å; I280-T284 PolarHBondContact O-N 3.19Å; I280-T284 PolarHBondContact O-OG1 2.97Å |
| 281 | L | 93.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.3 | -74.8 | 176.1 | 0 | 0 | 0 | 111.9 | T270 N272 G277 T284 V285 I304 F308 | T270-L281 HydrophobicContact CG2-CD1 4.48Å; T270-L281 HydrophobicContact CG2-CD2 4.41Å; T270-L281 HydrophobicContact CG2-CG 3.97Å; N272-L281 HydrophobicContact CB-CD1 3.74Å; G277-L281 WeakPolarHBondContact O-CB 3.49Å; G277-L281 WeakPolarHBondContact O-CG 3.36Å; G277-L281 PolarHBondContact O-N 3.19Å; L281-T284 WeakPolarHBondContact O-CB 3.42Å; L281-T284 PolarHBondContact O-N 3.38Å; L281-V285 VanDerWaalsContact O-CG2 3.3Å; L281-V285 WeakPolarHBondContact O-CG2 3.25Å; L281-V285 PolarHBondContact O-N 2.98Å; L281-I304 HydrophobicContact CB-CG2 4.49Å; L281-F308 HydrophobicContact CB-CZ 3.76Å; L281-F308 HydrophobicContact CD1-CE1 4.38Å; L281-F308 HydrophobicContact CD1-CZ 4.25Å |
| 282 | Y | 93.4 | Very high | 91 | Very high | 58 Ų | 58 | 37 Ų | 37 | 23% | 0.227 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.2 | -49.8 | 174.4 | 167.9 | -127.7 | 0 | 0 | 0 | 111.6 | N278 I280 T284 V285 L286 V319 T323 | N278-Y282 WeakPolarHBondContact O-CB 3.36Å; N278-Y282 PolarHBondContact O-N 3.25Å; I280-Y282 VanDerWaalsContact C-N 3.33Å; I280-Y282 PolarHBondContact O-N 3.12Å; Y282-T284 VanDerWaalsContact C-N 3.3Å; Y282-T284 PolarHBondContact O-N 3.44Å; Y282-V285 PolarHBondContact O-N 3.42Å; Y282-L286 HydrophobicContact CD2-CD1 4.26Å; Y282-L286 HydrophobicContact CD2-CG 4.22Å; Y282-L286 HydrophobicContact CE1-CD1 4.09Å; Y282-L286 HydrophobicContact CE2-CD1 3.58Å; Y282-L286 HydrophobicContact CE2-CD2 4.11Å; Y282-L286 HydrophobicContact CE2-CG 3.76Å; Y282-L286 PolarHBondContact O-N 3.4Å; Y282-V319 HydrophobicContact CD1-CG1 3.99Å; Y282-V319 HydrophobicContact CD2-CG1 3.32Å; Y282-V319 HydrophobicContact CE1-CG1 4.05Å; Y282-V319 HydrophobicContact CE2-CG1 3.43Å; Y282-V319 VanDerWaalsContact CE2-CG1 3.43Å; Y282-V319 HydrophobicContact CG-CG1 3.61Å; Y282-T323 HydrophobicContact CE2-CG2 4.42Å; Y282-T323 WeakPolarHBondContact CE2-OG1 3.33Å |
| 283 | E | 94.4 | Very high | 90.7 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -34.2 | 177.8 | -167.3 | 64 | -137 | 0 | 0 | 112.1 | V239 L242 K243 R246 A279 I280 L286 T287 | V239-E283 HydrophobicContact CG1-CB 4.21Å; V239-E283 HydrophobicContact CG1-CG 4.03Å; V239-E283 HydrophobicContact CG2-CB 4.44Å; L242-E283 HydrophobicContact CB-CB 4.38Å; L242-E283 HydrophobicContact CB-CG 3.66Å; L242-E283 HydrophobicContact CD1-CB 4.19Å; L242-E283 HydrophobicContact CD1-CG 4.37Å; K243-E283 VanDerWaalsContact CE-CD 3.41Å; K243-E283 WeakPolarHBondContact CE-OE2 3.49Å; K243-E283 HydrophobicContact CG-CG 3.98Å; K243-E283 WeakPolarHBondContact CG-OE1 3.48Å; K243-E283 IonicContact NZ-OE2 2.63Å; R246-E283 IonicContact CZ-OE1 3.94Å; R246-E283 VanDerWaalsContact CZ-OE1 3.29Å; R246-E283 IonicContact NH1-OE1 3.08Å; R246-E283 PolarHBondContact NH1-OE1 3.42Å; R246-E283 IonicContact NH2-OE1 3.87Å; A279-E283 PolarHBondContact O-N 3.34Å; A279-E283 VanDerWaalsContact O-N 3.1Å; I280-E283 PolarHBondContact O-N 3.01Å; E283-L286 PolarHBondContact O-N 3.37Å; E283-T287 WeakPolarHBondContact O-CB 3.04Å; E283-T287 PolarHBondContact O-N 3.13Å; E283-T287 PolarHBondContact O-OG1 3.45Å |
| 284 | T | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 174.9 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | L242 L263 V266 A267 I280 L281 Y282 T287 I288 | L242-T284 WeakPolarHBondContact CD1-OG1 3.31Å; L263-T284 HydrophobicContact CD2-CG2 4.05Å; V266-T284 HydrophobicContact CB-CG2 4.19Å; V266-T284 HydrophobicContact CG1-CG2 4.08Å; V266-T284 WeakPolarHBondContact CG1-OG1 3.08Å; A267-T284 HydrophobicContact CB-CG2 4.34Å; I280-T284 WeakPolarHBondContact O-CB 3.39Å; I280-T284 PolarHBondContact O-N 3.19Å; I280-T284 PolarHBondContact O-OG1 2.97Å; L281-T284 WeakPolarHBondContact O-CB 3.42Å; L281-T284 PolarHBondContact O-N 3.38Å; Y282-T284 VanDerWaalsContact C-N 3.3Å; Y282-T284 PolarHBondContact O-N 3.44Å; T284-T287 WeakPolarHBondContact O-CB 3.41Å; T284-T287 PolarHBondContact O-N 2.76Å; T284-I288 HydrophobicContact CG2-CD1 3.96Å; T284-I288 VanDerWaalsContact O-CG1 3.29Å; T284-I288 WeakPolarHBondContact O-CG1 3.43Å; T284-I288 PolarHBondContact O-N 3.05Å |
| 285 | V | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 175.6 | 166.3 | 0 | 0 | 0 | 0 | 110.8 | L281 Y282 T287 I288 M289 A301 I304 L305 T323 | L281-V285 VanDerWaalsContact O-CG2 3.3Å; L281-V285 WeakPolarHBondContact O-CG2 3.25Å; L281-V285 PolarHBondContact O-N 2.98Å; Y282-V285 PolarHBondContact O-N 3.42Å; V285-T287 PolarHBondContact O-N 3.44Å; V285-I288 PolarHBondContact O-N 3.46Å; V285-M289 HydrophobicContact CG1-CG 4.31Å; V285-M289 VanDerWaalsContact O-CG 3.25Å; V285-M289 WeakPolarHBondContact O-CG 3.09Å; V285-M289 PolarHBondContact O-N 3.23Å; V285-A301 HydrophobicContact CB-CB 4.48Å; V285-A301 HydrophobicContact CG1-CB 4.2Å; V285-A301 HydrophobicContact CG2-CB 4.13Å; V285-I304 HydrophobicContact CG2-CB 4.05Å; V285-I304 HydrophobicContact CG2-CD1 4.29Å; V285-I304 HydrophobicContact CG2-CG2 3.88Å; V285-L305 HydrophobicContact CG1-CD1 3.7Å; V285-L305 HydrophobicContact CG1-CD2 3.9Å; V285-L305 HydrophobicContact CG1-CG 3.74Å; V285-T323 HydrophobicContact CG1-CG2 4.11Å |
| 286 | L | 92.8 | Very high | 90.5 | Very high | 17 Ų | 17 | 32 Ų | 32 | 9% | 0.089 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.9 | -38.8 | 176.4 | -68.6 | 177.2 | 0 | 0 | 0 | 112 | R246 Y282 E283 M289 D290 T323 | R246-L286 WeakPolarHBondContact CD-O 3.29Å; R246-L286 VanDerWaalsContact NH1-CB 3.33Å; Y282-L286 HydrophobicContact CD2-CD1 4.26Å; Y282-L286 HydrophobicContact CD2-CG 4.22Å; Y282-L286 HydrophobicContact CE1-CD1 4.09Å; Y282-L286 HydrophobicContact CE2-CD1 3.58Å; Y282-L286 HydrophobicContact CE2-CD2 4.11Å; Y282-L286 HydrophobicContact CE2-CG 3.76Å; Y282-L286 PolarHBondContact O-N 3.4Å; E283-L286 PolarHBondContact O-N 3.37Å; L286-M289 PolarHBondContact O-N 3.14Å; L286-D290 PolarHBondContact O-N 2.82Å; L286-D290 VanDerWaalsContact O-N 3.15Å; L286-T323 HydrophobicContact CD2-CG2 3.68Å; L286-T323 HydrophobicContact CG-CG2 4.5Å |
| 287 | T | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -47.7 | 176.7 | -56.4 | 0 | 0 | 0 | 0 | 111 | L242 L245 R246 L263 E283 T284 V285 M289 I291 | L242-T287 PolarHBondContact O-OG1 3.1Å; L245-T287 HydrophobicContact CB-CG2 4.48Å; R246-T287 HydrophobicContact CB-CG2 3.93Å; L263-T287 HydrophobicContact CD1-CG2 4.09Å; L263-T287 HydrophobicContact CD2-CG2 3.8Å; E283-T287 WeakPolarHBondContact O-CB 3.04Å; E283-T287 PolarHBondContact O-N 3.13Å; E283-T287 PolarHBondContact O-OG1 3.45Å; T284-T287 WeakPolarHBondContact O-CB 3.41Å; T284-T287 PolarHBondContact O-N 2.76Å; V285-T287 PolarHBondContact O-N 3.44Å; T287-M289 VanDerWaalsContact C-N 3.31Å; T287-M289 PolarHBondContact O-N 3.46Å; T287-I291 VanDerWaalsContact O-CG1 3.27Å; T287-I291 WeakPolarHBondContact O-CG1 3.48Å; T287-I291 WeakPolarHBondContact O-CG2 3.43Å; T287-I291 PolarHBondContact O-N 3.01Å |
| 288 | I | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | 179 | -69.9 | 164.4 | 0 | 0 | 0 | 111.9 | L263 T284 V285 S293 L297 R298 A301 | L263-I288 HydrophobicContact CB-CD1 4.43Å; L263-I288 HydrophobicContact CB-CG1 4.16Å; L263-I288 HydrophobicContact CD1-CG1 4.1Å; T284-I288 HydrophobicContact CG2-CD1 3.96Å; T284-I288 VanDerWaalsContact O-CG1 3.29Å; T284-I288 WeakPolarHBondContact O-CG1 3.43Å; T284-I288 PolarHBondContact O-N 3.05Å; V285-I288 PolarHBondContact O-N 3.46Å; I288-S293 WeakPolarHBondContact O-CB 3.24Å; I288-S293 PolarHBondContact O-OG 3.38Å; I288-L297 HydrophobicContact CB-CG 4.48Å; I288-L297 HydrophobicContact CD1-CD1 3.76Å; I288-L297 HydrophobicContact CD1-CD2 4.22Å; I288-L297 HydrophobicContact CD1-CG 3.76Å; I288-L297 HydrophobicContact CG1-CD1 4.36Å; I288-L297 HydrophobicContact CG1-CD2 3.88Å; I288-L297 HydrophobicContact CG1-CG 3.85Å; I288-L297 HydrophobicContact CG2-CB 4.37Å; I288-L297 HydrophobicContact CG2-CD2 4.29Å; I288-L297 HydrophobicContact CG2-CG 3.79Å; I288-R298 HydrophobicContact CG2-CG 4.21Å; I288-A301 HydrophobicContact CB-CB 4.21Å; I288-A301 HydrophobicContact CD1-CB 4.16Å; I288-A301 HydrophobicContact CG2-CB 3.84Å |
| 289 | M | 88.1 | Confident | 90.1 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -78.2 | -31 | -174.2 | -62.9 | -58 | -74.1 | 0 | 0 | 113.2 | V285 L286 T287 R298 A301 I302 T327 I330 | V285-M289 HydrophobicContact CG1-CG 4.31Å; V285-M289 VanDerWaalsContact O-CG 3.25Å; V285-M289 WeakPolarHBondContact O-CG 3.09Å; V285-M289 PolarHBondContact O-N 3.23Å; L286-M289 PolarHBondContact O-N 3.14Å; T287-M289 VanDerWaalsContact C-N 3.31Å; T287-M289 PolarHBondContact O-N 3.46Å; M289-R298 HydrophobicContact SD-CB 4.22Å; M289-R298 HydrophobicContact SD-CG 4.3Å; M289-A301 HydrophobicContact SD-CB 4.22Å; M289-I302 HydrophobicContact CE-CD1 4.07Å; M289-I302 HydrophobicContact CE-CG1 4.18Å; M289-I302 HydrophobicContact SD-CG1 4.45Å; M289-T327 HydrophobicContact CB-CG2 3.8Å; M289-T327 HydrophobicContact CE-CG2 3.63Å; M289-T327 HydrophobicContact CG-CG2 3.71Å; M289-I330 WeakPolarHBondContact O-CD1 3.23Å |
| 290 | D | 88.6 | Confident | 90 | Very high | 82 Ų | 82 | 36.5 Ų | 36.5 | 44% | 0.439 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -84.4 | -25.7 | 179.8 | -80.3 | -1.3 | 0 | 0 | 0 | 113.4 | R246 L286 | R246-D290 VanDerWaalsContact CD-OD2 3.24Å; R246-D290 WeakPolarHBondContact CD-OD2 3.49Å; R246-D290 HydrophobicContact CG-CB 3.69Å; R246-D290 IonicContact NE-OD2 3.36Å; L286-D290 PolarHBondContact O-N 2.82Å; L286-D290 VanDerWaalsContact O-N 3.15Å |
| 291 | I | 89.3 | Confident | 89.9 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 162.4 | 176.6 | 72.5 | -178 | 0 | 0 | 0 | 111.6 | M259 L263 T287 S293 | M259-I291 HydrophobicContact CG-CD1 4.13Å; M259-I291 HydrophobicContact SD-CD1 3.86Å; M259-I291 HydrophobicContact SD-CG2 4.45Å; L263-I291 HydrophobicContact CD1-CD1 3.42Å; L263-I291 VanDerWaalsContact CD1-CD1 3.42Å; T287-I291 VanDerWaalsContact O-CG1 3.27Å; T287-I291 WeakPolarHBondContact O-CG1 3.48Å; T287-I291 WeakPolarHBondContact O-CG2 3.43Å; T287-I291 PolarHBondContact O-N 3.01Å; I291-S293 PolarHBondContact O-N 3.22Å |
| 292 | R | 84.7 | Confident | 89.8 | Confident | 152 Ų | 152 | 36.4 Ų | 36.4 | 57% | 0.574 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 68.6 | 171 | -67.2 | -175.3 | -180 | 174.1 | 0.2 | 110.2 | ||
| 293 | S | 78.5 | Confident | 89.6 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | trans | -78.2 | 161.3 | 179 | 51.1 | 0 | 0 | 0 | 0 | 112.4 | I288 I291 R298 | I288-S293 WeakPolarHBondContact O-CB 3.24Å; I288-S293 PolarHBondContact O-OG 3.38Å; I291-S293 PolarHBondContact O-N 3.22Å; S293-R298 PolarHBondContact O-NE 3.17Å; S293-R298 PolarHBondContact O-NH2 2.93Å; S293-R298 WeakPolarHBondContact OG-CG 3.39Å; S293-R298 PolarHBondContact OG-NE 2.71Å | ||
| 294 | E | 85.3 | Confident | 89.5 | Confident | 130 Ų | 130 | 36.5 Ų | 36.5 | 61% | 0.607 | 19% | 0.193 | S | C | * | . | trans | -60.5 | 143 | 170.1 | -170.9 | -178.5 | 171.9 | 0 | 0 | 111 | G296 L297 R298 | E294-G296 PolarHBondContact O-N 2.91Å; E294-L297 WeakPolarHBondContact O-CB 3.44Å; E294-L297 PolarHBondContact O-N 2.67Å; E294-R298 PolarHBondContact O-N 3.02Å | ||
| 295 | S | 86.1 | Confident | 89.4 | Confident | 89 Ų | 89 | 36.5 Ų | 36.5 | 62% | 0.622 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -56.2 | -38.1 | 179.8 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | L297 R298 V299 | S295-L297 VanDerWaalsContact C-N 3.3Å; S295-L297 PolarHBondContact O-N 3.22Å; S295-R298 PolarHBondContact O-N 3.02Å; S295-V299 WeakPolarHBondContact O-CG2 3.31Å; S295-V299 PolarHBondContact O-N 3.21Å |
| 296 | G | 88.3 | Confident | 89.3 | Confident | 43 Ų | 43 | 36.7 Ų | 36.7 | 44% | 0.443 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E294 V299 L300 | E294-G296 PolarHBondContact O-N 2.91Å; G296-V299 PolarHBondContact O-N 3.15Å; G296-L300 PolarHBondContact O-N 3.04Å |
| 297 | L | 90.7 | Very high | 89.2 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.2 | -35.8 | 178.6 | -169.6 | 58.6 | 0 | 0 | 0 | 111.8 | L263 A264 I288 E294 S295 L300 A301 | L263-L297 HydrophobicContact CB-CD2 4.02Å; L263-L297 HydrophobicContact CD1-CD2 4.47Å; A264-L297 HydrophobicContact CB-CD1 4.15Å; I288-L297 HydrophobicContact CB-CG 4.48Å; I288-L297 HydrophobicContact CD1-CD1 3.76Å; I288-L297 HydrophobicContact CD1-CD2 4.22Å; I288-L297 HydrophobicContact CD1-CG 3.76Å; I288-L297 HydrophobicContact CG1-CD1 4.36Å; I288-L297 HydrophobicContact CG1-CD2 3.88Å; I288-L297 HydrophobicContact CG1-CG 3.85Å; I288-L297 HydrophobicContact CG2-CB 4.37Å; I288-L297 HydrophobicContact CG2-CD2 4.29Å; I288-L297 HydrophobicContact CG2-CG 3.79Å; E294-L297 WeakPolarHBondContact O-CB 3.44Å; E294-L297 PolarHBondContact O-N 2.67Å; S295-L297 VanDerWaalsContact C-N 3.3Å; S295-L297 PolarHBondContact O-N 3.22Å; L297-L300 HydrophobicContact CD1-CD2 4.21Å; L297-L300 WeakPolarHBondContact O-CB 3.45Å; L297-L300 PolarHBondContact O-N 3.11Å; L297-A301 WeakPolarHBondContact O-CB 3.46Å; L297-A301 PolarHBondContact O-N 2.95Å |
| 298 | R | 89.5 | Confident | 89.2 | Confident | 67 Ų | 67 | 42 Ų | 42 | 25% | 0.253 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.8 | -42 | 173.9 | -62.8 | -175.3 | -161.7 | 160 | 10.3 | 112.1 | I288 M289 S293 E294 S295 L300 A301 I302 | I288-R298 HydrophobicContact CG2-CG 4.21Å; M289-R298 HydrophobicContact SD-CB 4.22Å; M289-R298 HydrophobicContact SD-CG 4.3Å; S293-R298 PolarHBondContact O-NE 3.17Å; S293-R298 PolarHBondContact O-NH2 2.93Å; S293-R298 WeakPolarHBondContact OG-CG 3.39Å; S293-R298 PolarHBondContact OG-NE 2.71Å; E294-R298 PolarHBondContact O-N 3.02Å; S295-R298 PolarHBondContact O-N 3.02Å; R298-L300 VanDerWaalsContact C-N 3.31Å; R298-L300 PolarHBondContact O-N 3.41Å; R298-A301 WeakPolarHBondContact O-CB 3.43Å; R298-A301 PolarHBondContact O-N 2.83Å; R298-I302 WeakPolarHBondContact O-CG1 3.49Å; R298-I302 PolarHBondContact O-N 3.5Å |
| 299 | V | 89.2 | Confident | 89.2 | Confident | 44 Ų | 44 | 42.1 Ų | 42.1 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 174.6 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | S295 G296 A301 I302 N303 | S295-V299 WeakPolarHBondContact O-CG2 3.31Å; S295-V299 PolarHBondContact O-N 3.21Å; G296-V299 PolarHBondContact O-N 3.15Å; V299-A301 VanDerWaalsContact C-N 3.34Å; V299-A301 PolarHBondContact O-N 2.75Å; V299-I302 PolarHBondContact O-N 3.28Å; V299-N303 WeakPolarHBondContact O-CB 3.44Å; V299-N303 PolarHBondContact O-N 3.45Å; V299-N303 PolarHBondContact O-ND2 3.24Å |
| 300 | L | 90.2 | Very high | 89.3 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 173.8 | 179.2 | 63.1 | 0 | 0 | 0 | 111.9 | A267 T268 G296 L297 R298 N303 I304 | A267-L300 HydrophobicContact CB-CD2 3.97Å; T268-L300 HydrophobicContact CG2-CD2 4.37Å; G296-L300 PolarHBondContact O-N 3.04Å; L297-L300 HydrophobicContact CD1-CD2 4.21Å; L297-L300 WeakPolarHBondContact O-CB 3.45Å; L297-L300 PolarHBondContact O-N 3.11Å; R298-L300 VanDerWaalsContact C-N 3.31Å; R298-L300 PolarHBondContact O-N 3.41Å; L300-N303 PolarHBondContact O-N 3.31Å; L300-I304 HydrophobicContact CG-CD1 4.31Å; L300-I304 WeakPolarHBondContact O-CG1 3.31Å; L300-I304 PolarHBondContact O-N 3.39Å |
| 301 | A | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V285 I288 M289 L297 R298 V299 N303 I304 L305 | V285-A301 HydrophobicContact CB-CB 4.48Å; V285-A301 HydrophobicContact CG1-CB 4.2Å; V285-A301 HydrophobicContact CG2-CB 4.13Å; I288-A301 HydrophobicContact CB-CB 4.21Å; I288-A301 HydrophobicContact CD1-CB 4.16Å; I288-A301 HydrophobicContact CG2-CB 3.84Å; M289-A301 HydrophobicContact SD-CB 4.22Å; L297-A301 WeakPolarHBondContact O-CB 3.46Å; L297-A301 PolarHBondContact O-N 2.95Å; R298-A301 WeakPolarHBondContact O-CB 3.43Å; R298-A301 PolarHBondContact O-N 2.83Å; V299-A301 VanDerWaalsContact C-N 3.34Å; V299-A301 PolarHBondContact O-N 2.75Å; A301-N303 VanDerWaalsContact C-N 3.34Å; A301-N303 PolarHBondContact O-N 3.1Å; A301-I304 WeakPolarHBondContact O-CB 3.43Å; A301-I304 PolarHBondContact O-N 2.96Å; A301-L305 PolarHBondContact O-N 3.41Å |
| 302 | I | 90.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 176.3 | -65.3 | 171.2 | 0 | 0 | 0 | 110.9 | M289 R298 V299 I304 L305 G306 D331 A334 V335 | M289-I302 HydrophobicContact CE-CD1 4.07Å; M289-I302 HydrophobicContact CE-CG1 4.18Å; M289-I302 HydrophobicContact SD-CG1 4.45Å; R298-I302 WeakPolarHBondContact O-CG1 3.49Å; R298-I302 PolarHBondContact O-N 3.5Å; V299-I302 PolarHBondContact O-N 3.28Å; I302-I304 VanDerWaalsContact C-N 3.31Å; I302-I304 PolarHBondContact O-N 3.22Å; I302-L305 WeakPolarHBondContact O-CB 3.36Å; I302-L305 PolarHBondContact O-N 3.41Å; I302-G306 PolarHBondContact O-N 3.43Å; I302-D331 HydrophobicContact CD1-CB 4.12Å; I302-A334 HydrophobicContact CB-CB 4.33Å; I302-A334 HydrophobicContact CD1-CB 3.34Å; I302-A334 HydrophobicContact CG1-CB 4.41Å; I302-A334 HydrophobicContact CG2-CB 4.01Å; I302-V335 HydrophobicContact CD1-CG2 4.42Å |
| 303 | N | 90.1 | Very high | 90 | Very high | 66 Ų | 66 | 46.2 Ų | 46.2 | 35% | 0.353 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.2 | -32.7 | 173.5 | -68.6 | -24 | 0 | 0 | 0 | 112.6 | V299 L300 A301 G306 R307 | V299-N303 WeakPolarHBondContact O-CB 3.44Å; V299-N303 PolarHBondContact O-N 3.45Å; V299-N303 PolarHBondContact O-ND2 3.24Å; L300-N303 PolarHBondContact O-N 3.31Å; A301-N303 VanDerWaalsContact C-N 3.34Å; A301-N303 PolarHBondContact O-N 3.1Å; N303-G306 PolarHBondContact O-N 3.1Å; N303-R307 WeakPolarHBondContact O-CG 3.45Å; N303-R307 PolarHBondContact O-N 2.94Å; N303-R307 VanDerWaalsContact O-N 3.09Å |
| 304 | I | 92.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 170.7 | -69.1 | 160.2 | 0 | 0 | 0 | 110 | A267 L281 V285 L300 A301 I302 G306 R307 F308 | A267-I304 HydrophobicContact CB-CD1 3.88Å; L281-I304 HydrophobicContact CB-CG2 4.49Å; V285-I304 HydrophobicContact CG2-CB 4.05Å; V285-I304 HydrophobicContact CG2-CD1 4.29Å; V285-I304 HydrophobicContact CG2-CG2 3.88Å; L300-I304 HydrophobicContact CG-CD1 4.31Å; L300-I304 WeakPolarHBondContact O-CG1 3.31Å; L300-I304 PolarHBondContact O-N 3.39Å; A301-I304 WeakPolarHBondContact O-CB 3.43Å; A301-I304 PolarHBondContact O-N 2.96Å; I302-I304 VanDerWaalsContact C-N 3.31Å; I302-I304 PolarHBondContact O-N 3.22Å; I304-G306 VanDerWaalsContact C-N 3.31Å; I304-G306 PolarHBondContact O-N 2.76Å; I304-R307 WeakPolarHBondContact O-CB 3.34Å; I304-R307 PolarHBondContact O-N 3.29Å; I304-R307 VanDerWaalsContact O-N 3.15Å; I304-F308 HydrophobicContact CG2-CD1 4.36Å; I304-F308 HydrophobicContact CG2-CE1 4Å; I304-F308 HydrophobicContact CG2-CE2 4.27Å; I304-F308 HydrophobicContact CG2-CZ 3.96Å; I304-F308 PolarHBondContact O-N 3.38Å |
| 305 | L | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 176.5 | -66.9 | 177.2 | 0 | 0 | 0 | 112.2 | V285 A301 I302 R307 F308 L309 S320 T323 L324 | V285-L305 HydrophobicContact CG1-CD1 3.7Å; V285-L305 HydrophobicContact CG1-CD2 3.9Å; V285-L305 HydrophobicContact CG1-CG 3.74Å; A301-L305 PolarHBondContact O-N 3.41Å; I302-L305 WeakPolarHBondContact O-CB 3.36Å; I302-L305 PolarHBondContact O-N 3.41Å; L305-R307 VanDerWaalsContact C-N 3.32Å; L305-R307 PolarHBondContact O-N 2.99Å; L305-F308 HydrophobicContact CD2-CD2 4.33Å; L305-F308 CarbonylContact O-C 3.52Å; L305-F308 WeakPolarHBondContact O-CA 3.37Å; L305-F308 WeakPolarHBondContact O-CB 3.42Å; L305-F308 PolarHBondContact O-N 2.96Å; L305-F308 VanDerWaalsContact O-N 3.08Å; L305-L309 PolarHBondContact O-N 3.5Å; L305-S320 PolarHBondContact O-OG 2.81Å; L305-T323 HydrophobicContact CD1-CG2 3.72Å; L305-T323 HydrophobicContact CD2-CG2 3.94Å; L305-T323 HydrophobicContact CG-CG2 4.47Å; L305-L324 HydrophobicContact CB-CD2 3.88Å; L305-L324 HydrophobicContact CB-CG 4.14Å; L305-L324 HydrophobicContact CD1-CD2 3.6Å; L305-L324 HydrophobicContact CD1-CG 3.98Å; L305-L324 HydrophobicContact CG-CD2 4.4Å |
| 306 | G | 90.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.2 | -42.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I302 N303 I304 L309 H338 | I302-G306 PolarHBondContact O-N 3.43Å; N303-G306 PolarHBondContact O-N 3.1Å; I304-G306 VanDerWaalsContact C-N 3.31Å; I304-G306 PolarHBondContact O-N 2.76Å; G306-L309 PolarHBondContact O-N 3.01Å; G306-H338 VanDerWaalsContact CA-CE1 3.5Å; G306-H338 WeakPolarHBondContact CA-CE1 3.25Å |
| 307 | R | 90.9 | Very high | 91.7 | Very high | 124 Ų | 124 | 46.4 Ų | 46.4 | 47% | 0.468 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.1 | -36.7 | 172.5 | -71.5 | -177.1 | -72 | 164.4 | -5.2 | 112.2 | N303 I304 L305 L309 L310 N311 | N303-R307 WeakPolarHBondContact O-CG 3.45Å; N303-R307 PolarHBondContact O-N 2.94Å; N303-R307 VanDerWaalsContact O-N 3.09Å; I304-R307 WeakPolarHBondContact O-CB 3.34Å; I304-R307 PolarHBondContact O-N 3.29Å; I304-R307 VanDerWaalsContact O-N 3.15Å; L305-R307 VanDerWaalsContact C-N 3.32Å; L305-R307 PolarHBondContact O-N 2.99Å; R307-L309 VanDerWaalsContact C-N 3.34Å; R307-L310 PolarHBondContact O-N 2.92Å; R307-N311 PolarHBondContact O-N 3.25Å |
| 308 | F | 92.7 | Very high | 91.9 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -33.8 | 176 | -75.4 | 5.3 | 0 | 0 | 0 | 112.8 | N278 L281 I304 L305 L310 N311 I316 | N278-F308 HydrophobicContact CB-CE1 4.44Å; N278-F308 HydrophobicContact CB-CZ 4.04Å; N278-F308 VanDerWaalsContact OD1-CE1 3.24Å; N278-F308 WeakPolarHBondContact OD1-CE1 3.25Å; L281-F308 HydrophobicContact CB-CZ 3.76Å; L281-F308 HydrophobicContact CD1-CE1 4.38Å; L281-F308 HydrophobicContact CD1-CZ 4.25Å; I304-F308 HydrophobicContact CG2-CD1 4.36Å; I304-F308 HydrophobicContact CG2-CE1 4Å; I304-F308 HydrophobicContact CG2-CE2 4.27Å; I304-F308 HydrophobicContact CG2-CZ 3.96Å; I304-F308 PolarHBondContact O-N 3.38Å; L305-F308 HydrophobicContact CD2-CD2 4.33Å; L305-F308 CarbonylContact O-C 3.52Å; L305-F308 WeakPolarHBondContact O-CA 3.37Å; L305-F308 WeakPolarHBondContact O-CB 3.42Å; L305-F308 PolarHBondContact O-N 2.96Å; L305-F308 VanDerWaalsContact O-N 3.08Å; F308-L310 VanDerWaalsContact C-N 3.26Å; F308-L310 PolarHBondContact O-N 3.35Å; F308-N311 VanDerWaalsContact O-CB 3.23Å; F308-N311 WeakPolarHBondContact O-CB 3.36Å; F308-N311 PolarHBondContact O-N 3.01Å; F308-I316 HydrophobicContact CB-CG2 3.59Å; F308-I316 HydrophobicContact CD1-CG2 4.02Å; F308-I316 HydrophobicContact CD2-CG2 4.09Å; F308-I316 HydrophobicContact CG-CG2 3.66Å |
| 309 | L | 91.8 | Very high | 92 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -32.7 | 174 | -72 | 177.5 | 0 | 0 | 0 | 113 | L305 G306 R307 N311 R317 S320 L321 L324 H338 T341 I342 | L305-L309 PolarHBondContact O-N 3.5Å; G306-L309 PolarHBondContact O-N 3.01Å; R307-L309 VanDerWaalsContact C-N 3.34Å; L309-N311 VanDerWaalsContact C-N 3.3Å; L309-R317 WeakPolarHBondContact O-CG 3.5Å; L309-S320 WeakPolarHBondContact CG-OG 3.45Å; L309-L321 HydrophobicContact CD2-CD2 3.55Å; L309-L321 HydrophobicContact CD2-CG 3.62Å; L309-L324 HydrophobicContact CD1-CD1 3.59Å; L309-L324 HydrophobicContact CD2-CD1 4.2Å; L309-L324 HydrophobicContact CG-CD1 4.04Å; L309-H338 HydrophobicContact CD1-CB 4.16Å; L309-T341 HydrophobicContact CB-CG2 3.99Å; L309-T341 HydrophobicContact CD1-CG2 4.48Å; L309-I342 HydrophobicContact CD1-CG1 3.88Å |
| 310 | L | 91.8 | Very high | 92.2 | Very high | 120 Ų | 120 | 46.2 Ų | 46.2 | 63% | 0.628 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -3.4 | 179.3 | -61.9 | 174.8 | 0 | 0 | 0 | 113 | R307 F308 T341 | R307-L310 PolarHBondContact O-N 2.92Å; F308-L310 VanDerWaalsContact C-N 3.26Å; F308-L310 PolarHBondContact O-N 3.35Å; L310-T341 HydrophobicContact CD2-CG2 3.56Å; L310-T341 HydrophobicContact CG-CG2 4.32Å |
| 311 | N | 91.9 | Very high | 92.4 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 20% | 0.198 | 22% | 0.219 | C | C | . | . | trans | -65.9 | 140.8 | -178.1 | -163.4 | -69.6 | 0 | 0 | 0 | 110.7 | R307 F308 L309 D313 I316 R317 | R307-N311 PolarHBondContact O-N 3.25Å; F308-N311 VanDerWaalsContact O-CB 3.23Å; F308-N311 WeakPolarHBondContact O-CB 3.36Å; F308-N311 PolarHBondContact O-N 3.01Å; L309-N311 VanDerWaalsContact C-N 3.3Å; N311-D313 PolarHBondContact O-N 2.91Å; N311-D313 WeakPolarHBondContact OD1-CB 3.04Å; N311-D313 PolarHBondContact OD1-N 3.44Å; N311-I316 HydrophobicContact CB-CB 4.08Å; N311-I316 HydrophobicContact CB-CG2 3.73Å; N311-R317 WeakPolarHBondContact O-CG 3.08Å; N311-R317 PolarHBondContact O-NE 3.39Å; N311-R317 PolarHBondContact O-NH2 3.17Å | ||
| 312 | P | 90.9 | Very high | 92.4 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 75% | 0.753 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -64.9 | -23.5 | 175.5 | 25.5 | -35.8 | 0 | 0 | 0 | 113.9 | K314 | P312-K314 PolarHBondContact O-N 3.19Š|
| 313 | D | 92.7 | Very high | 92.5 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | trans | -76.2 | 119.5 | 178.1 | -170.6 | -14.2 | 0 | 0 | 0 | 111.4 | N311 N315 I316 R317 | N311-D313 PolarHBondContact O-N 2.91Å; N311-D313 WeakPolarHBondContact OD1-CB 3.04Å; N311-D313 PolarHBondContact OD1-N 3.44Å; D313-N315 PolarHBondContact O-N 3.3Å; D313-N315 WeakPolarHBondContact OD1-CB 3.25Å; D313-N315 PolarHBondContact OD1-N 3.16Å; D313-N315 PolarHBondContact OD1-ND2 3.14Å; D313-I316 HydrophobicContact CB-CB 4.28Å; D313-I316 HydrophobicContact CB-CD1 3.93Å; D313-I316 HydrophobicContact CB-CG1 4Å; D313-I316 PolarHBondContact O-N 3.4Å; D313-I316 VanDerWaalsContact O-N 3.13Å; D313-R317 PolarHBondContact O-N 2.93Å; D313-R317 VanDerWaalsContact O-N 3.12Å | ||
| 314 | K | 93.8 | Very high | 92.6 | Very high | 86 Ų | 86 | 42 Ų | 42 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.7 | -36 | 176.3 | -69.9 | -174 | 174.1 | -169.8 | 0 | 113 | P312 I316 R317 Y318 D350 I353 | P312-K314 PolarHBondContact O-N 3.19Å; K314-I316 VanDerWaalsContact C-N 3.32Å; K314-I316 PolarHBondContact O-N 3.36Å; K314-R317 PolarHBondContact O-N 3.16Å; K314-Y318 WeakPolarHBondContact O-CB 3.48Å; K314-Y318 PolarHBondContact O-N 3.16Å; K314-D350 HydrophobicContact CD-CB 4.21Å; K314-I353 HydrophobicContact CB-CD1 3.8Å; K314-I353 HydrophobicContact CG-CD1 3.98Å |
| 315 | N | 93.6 | Very high | 92.5 | Very high | 110 Ų | 110 | 44 Ų | 44 | 59% | 0.588 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64.2 | -41.1 | 179 | -59.7 | -62.4 | 0 | 0 | 0 | 110.9 | D313 Y318 V319 | D313-N315 PolarHBondContact O-N 3.3Å; D313-N315 WeakPolarHBondContact OD1-CB 3.25Å; D313-N315 PolarHBondContact OD1-N 3.16Å; D313-N315 PolarHBondContact OD1-ND2 3.14Å; N315-Y318 PolarHBondContact O-N 3.31Å; N315-V319 WeakPolarHBondContact O-CB 3.3Å; N315-V319 VanDerWaalsContact O-CG2 3.27Å; N315-V319 WeakPolarHBondContact O-CG2 3.47Å; N315-V319 PolarHBondContact O-N 3.31Å |
| 316 | I | 93.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.9 | -40.9 | 179.1 | -62.7 | 178 | 0 | 0 | 0 | 110.4 | N278 F308 N311 D313 K314 V319 S320 | N278-I316 HydrophobicContact CB-CD1 4.16Å; N278-I316 VanDerWaalsContact ND2-CD1 3.28Å; N278-I316 WeakPolarHBondContact ND2-CD1 3.27Å; F308-I316 HydrophobicContact CB-CG2 3.59Å; F308-I316 HydrophobicContact CD1-CG2 4.02Å; F308-I316 HydrophobicContact CD2-CG2 4.09Å; F308-I316 HydrophobicContact CG-CG2 3.66Å; N311-I316 HydrophobicContact CB-CB 4.08Å; N311-I316 HydrophobicContact CB-CG2 3.73Å; D313-I316 HydrophobicContact CB-CB 4.28Å; D313-I316 HydrophobicContact CB-CD1 3.93Å; D313-I316 HydrophobicContact CB-CG1 4Å; D313-I316 PolarHBondContact O-N 3.4Å; D313-I316 VanDerWaalsContact O-N 3.13Å; K314-I316 VanDerWaalsContact C-N 3.32Å; K314-I316 PolarHBondContact O-N 3.36Å; I316-V319 PolarHBondContact O-N 3.33Å; I316-S320 WeakPolarHBondContact O-CB 3.44Å; I316-S320 PolarHBondContact O-N 3.01Å |
| 317 | R | 93.8 | Very high | 91.8 | Very high | 67 Ų | 67 | 50.5 Ų | 50.5 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 172.8 | -65.3 | -172.3 | -174.5 | 179.6 | -3.8 | 111.9 | L309 N311 D313 K314 S320 L321 D348 I353 | L309-R317 WeakPolarHBondContact O-CG 3.5Å; N311-R317 WeakPolarHBondContact O-CG 3.08Å; N311-R317 PolarHBondContact O-NE 3.39Å; N311-R317 PolarHBondContact O-NH2 3.17Å; D313-R317 PolarHBondContact O-N 2.93Å; D313-R317 VanDerWaalsContact O-N 3.12Å; K314-R317 PolarHBondContact O-N 3.16Å; R317-S320 PolarHBondContact O-N 2.69Å; R317-L321 WeakPolarHBondContact O-CG 3.28Å; R317-L321 PolarHBondContact O-N 2.86Å; R317-D348 IonicContact NH1-OD2 2.9Å; R317-D348 PolarHBondContact NH1-OD2 3.25Å; R317-D348 VanDerWaalsContact NH1-OD2 3.12Å; R317-I353 HydrophobicContact CB-CD1 4.1Å |
| 318 | Y | 94.8 | Very high | 91.5 | Very high | 76 Ų | 76 | 44.7 Ų | 44.7 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.4 | -48.5 | 178.1 | 176.5 | -92.9 | 0 | 0 | 0 | 111.6 | K314 N315 S320 L321 N322 R356 | K314-Y318 WeakPolarHBondContact O-CB 3.48Å; K314-Y318 PolarHBondContact O-N 3.16Å; N315-Y318 PolarHBondContact O-N 3.31Å; Y318-S320 VanDerWaalsContact C-N 3.31Å; Y318-S320 PolarHBondContact O-N 3.11Å; Y318-L321 PolarHBondContact O-N 3.46Å; Y318-N322 WeakPolarHBondContact O-CB 3.16Å; Y318-N322 PolarHBondContact O-N 3.27Å; Y318-R356 HydrophobicContact CD2-CG 3.9Å; Y318-R356 HydrophobicContact CE2-CG 3.43Å; Y318-R356 VanDerWaalsContact CE2-CG 3.43Å; Y318-R356 PolarHBondContact OH-NE 2.85Å; Y318-R356 PolarHBondContact OH-NH2 3.43Å |
| 319 | V | 93.1 | Very high | 91 | Very high | 41 Ų | 41 | 51.4 Ų | 51.4 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 176.9 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | Y282 N315 I316 N322 T323 | Y282-V319 HydrophobicContact CD1-CG1 3.99Å; Y282-V319 HydrophobicContact CD2-CG1 3.32Å; Y282-V319 HydrophobicContact CE1-CG1 4.05Å; Y282-V319 HydrophobicContact CE2-CG1 3.43Å; Y282-V319 VanDerWaalsContact CE2-CG1 3.43Å; Y282-V319 HydrophobicContact CG-CG1 3.61Å; N315-V319 WeakPolarHBondContact O-CB 3.3Å; N315-V319 VanDerWaalsContact O-CG2 3.27Å; N315-V319 WeakPolarHBondContact O-CG2 3.47Å; N315-V319 PolarHBondContact O-N 3.31Å; I316-V319 PolarHBondContact O-N 3.33Å; V319-N322 PolarHBondContact O-N 2.64Å; V319-T323 WeakPolarHBondContact O-CB 3.48Å; V319-T323 PolarHBondContact O-N 3.44Å; V319-T323 PolarHBondContact O-OG1 3.41Å |
| 320 | S | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 177.9 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | L305 L309 I316 R317 Y318 N322 T323 L324 | L305-S320 PolarHBondContact O-OG 2.81Å; L309-S320 WeakPolarHBondContact CG-OG 3.45Å; I316-S320 WeakPolarHBondContact O-CB 3.44Å; I316-S320 PolarHBondContact O-N 3.01Å; R317-S320 PolarHBondContact O-N 2.69Å; Y318-S320 VanDerWaalsContact C-N 3.31Å; Y318-S320 PolarHBondContact O-N 3.11Å; S320-N322 VanDerWaalsContact C-N 3.34Å; S320-N322 PolarHBondContact O-N 3.44Å; S320-T323 PolarHBondContact O-N 3.44Å; S320-T323 VanDerWaalsContact O-N 3.13Å; S320-L324 WeakPolarHBondContact O-CB 3.49Å; S320-L324 WeakPolarHBondContact O-CG 3.23Å; S320-L324 PolarHBondContact O-N 3.28Å |
| 321 | L | 94 | Very high | 90 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.1 | -45.1 | 177.9 | -71.6 | 170 | 0 | 0 | 0 | 112 | L309 R317 Y318 T323 L324 L325 I342 C345 I353 R356 A357 L360 | L309-L321 HydrophobicContact CD2-CD2 3.55Å; L309-L321 HydrophobicContact CD2-CG 3.62Å; R317-L321 WeakPolarHBondContact O-CG 3.28Å; R317-L321 PolarHBondContact O-N 2.86Å; Y318-L321 PolarHBondContact O-N 3.46Å; L321-T323 VanDerWaalsContact C-N 3.31Å; L321-T323 PolarHBondContact O-N 3.49Å; L321-L324 PolarHBondContact O-N 2.84Å; L321-L325 WeakPolarHBondContact O-CB 3.27Å; L321-L325 PolarHBondContact O-N 3.19Å; L321-I342 HydrophobicContact CD2-CG1 4.34Å; L321-I342 HydrophobicContact CD2-CG2 4.31Å; L321-C345 HydrophobicContact CD1-CB 4.25Å; L321-I353 HydrophobicContact CD1-CG2 3.7Å; L321-R356 HydrophobicContact CB-CB 3.9Å; L321-R356 HydrophobicContact CD1-CB 4.35Å; L321-A357 HydrophobicContact CD1-CB 4.16Å; L321-L360 HydrophobicContact CD2-CD2 3.67Å |
| 322 | N | 92.6 | Very high | 89.7 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -35.4 | 178.2 | -174.1 | 67 | 0 | 0 | 0 | 112.4 | Y318 V319 S320 K326 | Y318-N322 WeakPolarHBondContact O-CB 3.16Å; Y318-N322 PolarHBondContact O-N 3.27Å; V319-N322 PolarHBondContact O-N 2.64Å; S320-N322 VanDerWaalsContact C-N 3.34Å; S320-N322 PolarHBondContact O-N 3.44Å; N322-K326 PolarHBondContact O-N 3.5Å |
| 323 | T | 91.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.1 | -47.3 | 176.3 | -50.2 | 0 | 0 | 0 | 0 | 111 | Y282 V285 L286 L305 V319 S320 L321 L325 K326 T327 | Y282-T323 HydrophobicContact CE2-CG2 4.42Å; Y282-T323 WeakPolarHBondContact CE2-OG1 3.33Å; V285-T323 HydrophobicContact CG1-CG2 4.11Å; L286-T323 HydrophobicContact CD2-CG2 3.68Å; L286-T323 HydrophobicContact CG-CG2 4.5Å; L305-T323 HydrophobicContact CD1-CG2 3.72Å; L305-T323 HydrophobicContact CD2-CG2 3.94Å; L305-T323 HydrophobicContact CG-CG2 4.47Å; V319-T323 WeakPolarHBondContact O-CB 3.48Å; V319-T323 PolarHBondContact O-N 3.44Å; V319-T323 PolarHBondContact O-OG1 3.41Å; S320-T323 PolarHBondContact O-N 3.44Å; S320-T323 VanDerWaalsContact O-N 3.13Å; L321-T323 VanDerWaalsContact C-N 3.31Å; L321-T323 PolarHBondContact O-N 3.49Å; T323-L325 PolarHBondContact O-N 3.05Å; T323-K326 PolarHBondContact O-N 2.89Å; T323-K326 VanDerWaalsContact O-N 3.1Å; T323-T327 HydrophobicContact CG2-CG2 4.43Å; T323-T327 WeakPolarHBondContact O-CG2 3.3Å; T323-T327 PolarHBondContact O-N 3.23Å; T323-T327 VanDerWaalsContact O-N 3.1Å; T323-T327 PolarHBondContact O-OG1 2.82Å |
| 324 | L | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56 | -43.5 | 177.6 | -73.5 | 171.2 | 0 | 0 | 0 | 110.4 | L305 L309 S320 L321 K326 T327 V328 V335 I342 L360 | L305-L324 HydrophobicContact CB-CD2 3.88Å; L305-L324 HydrophobicContact CB-CG 4.14Å; L305-L324 HydrophobicContact CD1-CD2 3.6Å; L305-L324 HydrophobicContact CD1-CG 3.98Å; L305-L324 HydrophobicContact CG-CD2 4.4Å; L309-L324 HydrophobicContact CD1-CD1 3.59Å; L309-L324 HydrophobicContact CD2-CD1 4.2Å; L309-L324 HydrophobicContact CG-CD1 4.04Å; S320-L324 WeakPolarHBondContact O-CB 3.49Å; S320-L324 WeakPolarHBondContact O-CG 3.23Å; S320-L324 PolarHBondContact O-N 3.28Å; L321-L324 PolarHBondContact O-N 2.84Å; L324-K326 PolarHBondContact O-N 2.85Å; L324-T327 WeakPolarHBondContact CA-OG1 3.37Å; L324-T327 CarbonylContact O-C 3.52Å; L324-T327 PolarHBondContact O-N 3.44Å; L324-T327 PolarHBondContact O-OG1 3.46Å; L324-V328 WeakPolarHBondContact O-CG2 3.37Å; L324-V328 PolarHBondContact O-N 2.73Å; L324-V335 HydrophobicContact CD2-CG1 4.16Å; L324-V335 HydrophobicContact CD2-CG2 4.05Å; L324-I342 HydrophobicContact CD1-CD1 4.45Å; L324-L360 HydrophobicContact CB-CD1 4.25Å; L324-L360 HydrophobicContact CB-CD2 3.78Å; L324-L360 HydrophobicContact CD1-CD2 4.25Å |
| 325 | L | 89.9 | Confident | 88.9 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 22% | 0.22 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.8 | -45.9 | 175.9 | -172.9 | 65.1 | 0 | 0 | 0 | 113 | L321 T323 T327 E359 L360 A363 | L321-L325 WeakPolarHBondContact O-CB 3.27Å; L321-L325 PolarHBondContact O-N 3.19Å; T323-L325 PolarHBondContact O-N 3.05Å; L325-T327 VanDerWaalsContact C-N 3.27Å; L325-T327 PolarHBondContact O-N 3.46Å; L325-E359 HydrophobicContact CD1-CB 4.29Å; L325-E359 HydrophobicContact CD2-CB 4.08Å; L325-E359 WeakPolarHBondContact CD2-OE2 3.33Å; L325-L360 HydrophobicContact CB-CD1 4.37Å; L325-L360 HydrophobicContact CD1-CB 4.39Å; L325-L360 HydrophobicContact CD1-CD1 4.29Å; L325-A363 HydrophobicContact CD1-CB 4.03Å |
| 326 | K | 85.2 | Confident | 88.6 | Confident | 135 Ų | 135 | 42.2 Ų | 42.2 | 59% | 0.587 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -66.1 | -31.2 | 176.9 | -67.7 | -178.2 | -179.8 | -171.1 | 0 | 112.6 | N322 T323 L324 | N322-K326 PolarHBondContact O-N 3.5Å; T323-K326 PolarHBondContact O-N 2.89Å; T323-K326 VanDerWaalsContact O-N 3.1Å; L324-K326 PolarHBondContact O-N 2.85Å |
| 327 | T | 84 | Confident | 88.4 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -92.2 | -9.6 | -174.9 | 61.8 | 0 | 0 | 0 | 0 | 114.9 | M289 T323 L324 L325 N329 I330 D331 | M289-T327 HydrophobicContact CB-CG2 3.8Å; M289-T327 HydrophobicContact CE-CG2 3.63Å; M289-T327 HydrophobicContact CG-CG2 3.71Å; T323-T327 HydrophobicContact CG2-CG2 4.43Å; T323-T327 WeakPolarHBondContact O-CG2 3.3Å; T323-T327 PolarHBondContact O-N 3.23Å; T323-T327 VanDerWaalsContact O-N 3.1Å; T323-T327 PolarHBondContact O-OG1 2.82Å; L324-T327 WeakPolarHBondContact CA-OG1 3.37Å; L324-T327 CarbonylContact O-C 3.52Å; L324-T327 PolarHBondContact O-N 3.44Å; L324-T327 PolarHBondContact O-OG1 3.46Å; L325-T327 VanDerWaalsContact C-N 3.27Å; L325-T327 PolarHBondContact O-N 3.46Å; T327-N329 PolarHBondContact O-N 2.83Å; T327-I330 WeakPolarHBondContact O-CB 3.43Å; T327-I330 PolarHBondContact O-N 3.45Å; T327-D331 PolarHBondContact O-N 3.05Å |
| 328 | V | 84.5 | Confident | 88.3 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -43.8 | -175.9 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | L324 I330 I332 L360 A363 L364 | L324-V328 WeakPolarHBondContact O-CG2 3.37Å; L324-V328 PolarHBondContact O-N 2.73Å; V328-I330 PolarHBondContact O-N 3.35Å; V328-I330 VanDerWaalsContact O-N 3.16Å; V328-I332 HydrophobicContact CG1-CG1 4.17Å; V328-I332 WeakPolarHBondContact O-CG1 3.45Å; V328-I332 PolarHBondContact O-N 3.01Å; V328-L360 HydrophobicContact CG2-CD1 3.42Å; V328-L360 VanDerWaalsContact CG2-CD1 3.42Å; V328-A363 HydrophobicContact CG1-CB 4.36Å; V328-A363 HydrophobicContact CG2-CB 4.35Å; V328-L364 HydrophobicContact CG1-CD2 4.23Å |
| 329 | N | 82 | Confident | 88.1 | Confident | 146 Ų | 146 | 48.3 Ų | 48.3 | 78% | 0.781 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14.7 | -177 | -64.6 | -26.9 | 0 | 0 | 0 | 114.2 | T327 | T327-N329 PolarHBondContact O-N 2.83Š|
| 330 | I | 81.1 | Confident | 88.1 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 41% | 0.41 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -49.4 | -177.9 | -55.1 | 176.5 | 0 | 0 | 0 | 110.5 | M289 T327 V328 | M289-I330 WeakPolarHBondContact O-CD1 3.23Å; T327-I330 WeakPolarHBondContact O-CB 3.43Å; T327-I330 PolarHBondContact O-N 3.45Å; V328-I330 PolarHBondContact O-N 3.35Å; V328-I330 VanDerWaalsContact O-N 3.16Å |
| 331 | D | 81.8 | Confident | 88.1 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | trans | -143.3 | 82.1 | 179.6 | -170.3 | -10.6 | 0 | 0 | 0 | 111.4 | I302 T327 T333 A334 V335 | I302-D331 HydrophobicContact CD1-CB 4.12Å; T327-D331 PolarHBondContact O-N 3.05Å; D331-T333 PolarHBondContact O-N 3.47Å; D331-T333 PolarHBondContact OD1-N 2.99Å; D331-T333 VanDerWaalsContact OD1-N 3.15Å; D331-T333 PolarHBondContact OD1-OG1 2.81Å; D331-A334 PolarHBondContact OD1-N 2.93Å; D331-A334 VanDerWaalsContact OD1-N 3.12Å; D331-A334 WeakPolarHBondContact OD2-CB 3.34Å; D331-V335 WeakPolarHBondContact O-CG2 3.24Å; D331-V335 PolarHBondContact O-N 2.93Å | ||
| 332 | I | 86.1 | Confident | 88 | Confident | 81 Ų | 81 | 52.4 Ų | 52.4 | 42% | 0.415 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -37.2 | 177.5 | -58.5 | 173.6 | 0 | 0 | 0 | 110.3 | V328 A334 V335 Q336 | V328-I332 HydrophobicContact CG1-CG1 4.17Å; V328-I332 WeakPolarHBondContact O-CG1 3.45Å; V328-I332 PolarHBondContact O-N 3.01Å; I332-A334 PolarHBondContact O-N 2.86Å; I332-V335 PolarHBondContact O-N 3.3Å; I332-Q336 HydrophobicContact CG2-CG 3.88Å; I332-Q336 WeakPolarHBondContact O-CG 3.42Å; I332-Q336 PolarHBondContact O-N 3.03Å |
| 333 | T | 86.6 | Confident | 88.1 | Confident | 102 Ų | 102 | 52 Ų | 52 | 63% | 0.626 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.6 | -39.9 | -170.6 | 66 | 0 | 0 | 0 | 0 | 112.8 | D331 | D331-T333 PolarHBondContact O-N 3.47Å; D331-T333 PolarHBondContact OD1-N 2.99Å; D331-T333 VanDerWaalsContact OD1-N 3.15Å; D331-T333 PolarHBondContact OD1-OG1 2.81Å |
| 334 | A | 85.9 | Confident | 88.1 | Confident | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.1 | -37.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I302 D331 I332 Q336 R337 | I302-A334 HydrophobicContact CB-CB 4.33Å; I302-A334 HydrophobicContact CD1-CB 3.34Å; I302-A334 HydrophobicContact CG1-CB 4.41Å; I302-A334 HydrophobicContact CG2-CB 4.01Å; D331-A334 PolarHBondContact OD1-N 2.93Å; D331-A334 VanDerWaalsContact OD1-N 3.12Å; D331-A334 WeakPolarHBondContact OD2-CB 3.34Å; I332-A334 PolarHBondContact O-N 2.86Å; A334-Q336 VanDerWaalsContact C-N 3.34Å; A334-Q336 PolarHBondContact O-N 2.92Å; A334-R337 WeakPolarHBondContact O-CB 3.48Å; A334-R337 PolarHBondContact O-N 3.12Å |
| 335 | V | 87.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.6 | -35.7 | 176.7 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | I302 L324 D331 I332 R337 H338 I342 L364 | I302-V335 HydrophobicContact CD1-CG2 4.42Å; L324-V335 HydrophobicContact CD2-CG1 4.16Å; L324-V335 HydrophobicContact CD2-CG2 4.05Å; D331-V335 WeakPolarHBondContact O-CG2 3.24Å; D331-V335 PolarHBondContact O-N 2.93Å; I332-V335 PolarHBondContact O-N 3.3Å; V335-R337 PolarHBondContact O-N 3.14Å; V335-R337 VanDerWaalsContact O-N 3.1Å; V335-H338 PolarHBondContact O-N 2.84Å; V335-I342 HydrophobicContact CG1-CD1 4.34Å; V335-L364 HydrophobicContact CB-CD2 4.15Å; V335-L364 HydrophobicContact CG1-CD1 4.26Å; V335-L364 HydrophobicContact CG1-CD2 3.65Å; V335-L364 HydrophobicContact CG1-CG 4.49Å |
| 336 | Q | 88 | Confident | 88.3 | Confident | 36 Ų | 36 | 54.8 Ų | 54.8 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.8 | -24.1 | 178.4 | -72.5 | -80.3 | -8.7 | 0 | 0 | 113.7 | I332 A334 H338 R339 L364 N369 | I332-Q336 HydrophobicContact CG2-CG 3.88Å; I332-Q336 WeakPolarHBondContact O-CG 3.42Å; I332-Q336 PolarHBondContact O-N 3.03Å; A334-Q336 VanDerWaalsContact C-N 3.34Å; A334-Q336 PolarHBondContact O-N 2.92Å; Q336-H338 PolarHBondContact O-N 2.94Å; Q336-R339 WeakPolarHBondContact O-CB 3.24Å; Q336-R339 PolarHBondContact O-N 2.87Å; Q336-L364 HydrophobicContact CG-CD2 4.42Å; Q336-L364 PolarHBondContact NE2-O 3.19Å; Q336-N369 PolarHBondContact OE1-ND2 3.18Å |
| 337 | R | 89.4 | Confident | 88.6 | Confident | 163 Ų | 163 | 55.3 Ų | 55.3 | 62% | 0.615 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -29.1 | 176.1 | -60.6 | 179.7 | -171.7 | 164.3 | 2.4 | 112.7 | A334 V335 | A334-R337 WeakPolarHBondContact O-CB 3.48Å; A334-R337 PolarHBondContact O-N 3.12Å; V335-R337 PolarHBondContact O-N 3.14Å; V335-R337 VanDerWaalsContact O-N 3.1Å |
| 338 | H | 90.3 | Very high | 89.1 | Confident | 33 Ų | 33 | 55.6 Ų | 55.6 | 15% | 0.153 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 9.5 | 179.4 | -63.5 | -64.7 | 0 | 0 | 0 | 113.3 | G306 L309 V335 Q336 T340 T341 I342 | G306-H338 VanDerWaalsContact CA-CE1 3.5Å; G306-H338 WeakPolarHBondContact CA-CE1 3.25Å; L309-H338 HydrophobicContact CD1-CB 4.16Å; V335-H338 PolarHBondContact O-N 2.84Å; Q336-H338 PolarHBondContact O-N 2.94Å; H338-T340 VanDerWaalsContact C-N 3.31Å; H338-T340 PolarHBondContact O-N 3.36Å; H338-T341 PolarHBondContact O-N 2.81Å; H338-T341 VanDerWaalsContact O-N 3.14Å; H338-I342 HydrophobicContact CB-CD1 4.26Å; H338-I342 VanDerWaalsContact O-CG1 3.32Å; H338-I342 WeakPolarHBondContact O-CG1 3.29Å; H338-I342 PolarHBondContact O-N 3.47Å |
| 339 | R | 91.5 | Very high | 89.4 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 32% | 0.321 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -52.7 | -45.1 | -177.7 | -175.9 | -173.2 | 71.5 | 177.5 | 1.7 | 112.8 | Q336 T341 I342 V343 N369 | Q336-R339 WeakPolarHBondContact O-CB 3.24Å; Q336-R339 PolarHBondContact O-N 2.87Å; R339-T341 PolarHBondContact O-N 3.27Å; R339-I342 PolarHBondContact O-N 2.93Å; R339-V343 HydrophobicContact CG-CG2 4.45Å; R339-V343 WeakPolarHBondContact O-CG2 3.39Å; R339-V343 PolarHBondContact O-N 2.89Å; R339-N369 VanDerWaalsContact NH1-CB 3.34Å |
| 340 | T | 92.6 | Very high | 89.9 | Confident | 95 Ų | 95 | 55.4 Ų | 55.4 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.1 | -47.2 | -179.6 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | H338 I342 V343 D344 | H338-T340 VanDerWaalsContact C-N 3.31Å; H338-T340 PolarHBondContact O-N 3.36Å; T340-I342 VanDerWaalsContact C-N 3.33Å; T340-I342 PolarHBondContact O-N 3.17Å; T340-V343 PolarHBondContact O-N 3.32Å; T340-D344 PolarHBondContact O-N 2.91Å |
| 341 | T | 92.8 | Very high | 90.5 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -36.9 | 177.3 | -47.4 | 0 | 0 | 0 | 0 | 112.3 | L309 L310 H338 R339 D344 C345 | L309-T341 HydrophobicContact CB-CG2 3.99Å; L309-T341 HydrophobicContact CD1-CG2 4.48Å; L310-T341 HydrophobicContact CD2-CG2 3.56Å; L310-T341 HydrophobicContact CG-CG2 4.32Å; H338-T341 PolarHBondContact O-N 2.81Å; H338-T341 VanDerWaalsContact O-N 3.14Å; R339-T341 PolarHBondContact O-N 3.27Å; T341-D344 PolarHBondContact O-N 3.2Å; T341-C345 PolarHBondContact O-N 3.16Å; T341-C345 VanDerWaalsContact O-N 3.12Å; T341-C345 PolarHBondContact O-SG 3.1Å; T341-C345 VanDerWaalsContact O-SG 3.35Å |
| 342 | I | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | 177.6 | -65.2 | 163.1 | 0 | 0 | 0 | 111 | L309 L321 L324 V335 H338 R339 T340 D344 C345 L360 L364 | L309-I342 HydrophobicContact CD1-CG1 3.88Å; L321-I342 HydrophobicContact CD2-CG1 4.34Å; L321-I342 HydrophobicContact CD2-CG2 4.31Å; L324-I342 HydrophobicContact CD1-CD1 4.45Å; V335-I342 HydrophobicContact CG1-CD1 4.34Å; H338-I342 HydrophobicContact CB-CD1 4.26Å; H338-I342 VanDerWaalsContact O-CG1 3.32Å; H338-I342 WeakPolarHBondContact O-CG1 3.29Å; H338-I342 PolarHBondContact O-N 3.47Å; R339-I342 PolarHBondContact O-N 2.93Å; T340-I342 VanDerWaalsContact C-N 3.33Å; T340-I342 PolarHBondContact O-N 3.17Å; I342-D344 VanDerWaalsContact C-N 3.33Å; I342-C345 WeakPolarHBondContact O-CB 3.26Å; I342-C345 PolarHBondContact O-N 3.39Å; I342-L360 HydrophobicContact CD1-CD2 3.65Å; I342-L360 HydrophobicContact CD1-CG 4.19Å; I342-L360 HydrophobicContact CG1-CD2 3.95Å; I342-L360 HydrophobicContact CG2-CB 4.31Å; I342-L360 HydrophobicContact CG2-CD2 3.84Å; I342-L360 HydrophobicContact CG2-CG 3.98Å; I342-L364 HydrophobicContact CD1-CD1 3.57Å; I342-L364 HydrophobicContact CG2-CD1 4.45Å |
| 343 | V | 93 | Very high | 91.4 | Very high | 18 Ų | 18 | 52.9 Ų | 52.9 | 11% | 0.109 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 174.2 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | R339 T340 C345 L346 E376 | R339-V343 HydrophobicContact CG-CG2 4.45Å; R339-V343 WeakPolarHBondContact O-CG2 3.39Å; R339-V343 PolarHBondContact O-N 2.89Å; T340-V343 PolarHBondContact O-N 3.32Å; V343-C345 PolarHBondContact O-N 2.93Å; V343-L346 HydrophobicContact CG1-CD1 4.4Å; V343-L346 WeakPolarHBondContact O-CB 3.47Å; V343-L346 WeakPolarHBondContact O-CG 3.27Å; V343-L346 PolarHBondContact O-N 2.66Å; V343-E376 HydrophobicContact CG1-CB 3.92Å; V343-E376 HydrophobicContact CG1-CG 3.93Å |
| 344 | D | 92.8 | Very high | 91.7 | Very high | 83 Ų | 83 | 49.5 Ų | 49.5 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63 | -30.5 | 174.6 | -71.4 | -31.7 | 0 | 0 | 0 | 112.6 | T340 T341 I342 L346 K347 | T340-D344 PolarHBondContact O-N 2.91Å; T341-D344 PolarHBondContact O-N 3.2Å; I342-D344 VanDerWaalsContact C-N 3.33Å; D344-L346 PolarHBondContact O-N 3.27Å; D344-K347 WeakPolarHBondContact O-CB 3.44Å; D344-K347 PolarHBondContact O-N 3.27Å; D344-K347 IonicContact OD1-NZ 3.57Å |
| 345 | C | 93.5 | Very high | 92.1 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -64.7 | -16.9 | 172.6 | -67.6 | 0 | 0 | 0 | 0 | 113.7 | L321 T341 I342 V343 K347 D348 I353 A357 | L321-C345 HydrophobicContact CD1-CB 4.25Å; T341-C345 PolarHBondContact O-N 3.16Å; T341-C345 VanDerWaalsContact O-N 3.12Å; T341-C345 PolarHBondContact O-SG 3.1Å; T341-C345 VanDerWaalsContact O-SG 3.35Å; I342-C345 WeakPolarHBondContact O-CB 3.26Å; I342-C345 PolarHBondContact O-N 3.39Å; V343-C345 PolarHBondContact O-N 2.93Å; C345-K347 PolarHBondContact O-N 2.81Å; C345-D348 VanDerWaalsContact O-CB 3.29Å; C345-D348 WeakPolarHBondContact O-CB 3.23Å; C345-D348 PolarHBondContact O-N 2.91Å; C345-I353 HydrophobicContact CB-CG2 4.18Å; C345-A357 HydrophobicContact CB-CB 3.79Å |
| 346 | L | 92.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 56 Ų | 56 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -66.7 | -22.8 | 171.7 | -61.3 | 175.9 | 0 | 0 | 0 | 112.2 | V343 D344 D348 A357 V358 F380 | V343-L346 HydrophobicContact CG1-CD1 4.4Å; V343-L346 WeakPolarHBondContact O-CB 3.47Å; V343-L346 WeakPolarHBondContact O-CG 3.27Å; V343-L346 PolarHBondContact O-N 2.66Å; D344-L346 PolarHBondContact O-N 3.27Å; L346-D348 VanDerWaalsContact C-N 3.34Å; L346-A357 HydrophobicContact CD2-CB 3.8Å; L346-A357 HydrophobicContact CG-CB 4.45Å; L346-V358 HydrophobicContact CD2-CB 4.32Å; L346-V358 HydrophobicContact CD2-CG2 3.53Å; L346-F380 HydrophobicContact CB-CD2 4.09Å; L346-F380 HydrophobicContact CB-CG 4.49Å; L346-F380 WeakPolarHBondContact O-CD2 3.2Å; L346-F380 WeakPolarHBondContact O-CE2 3.45Å |
| 347 | K | 92.1 | Very high | 92.7 | Very high | 146 Ų | 146 | 54.3 Ų | 54.3 | 64% | 0.635 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -90.2 | 1.9 | 177.3 | -57.4 | 168.6 | -173.7 | 159.2 | 0 | 112.3 | D344 C345 | D344-K347 WeakPolarHBondContact O-CB 3.44Å; D344-K347 PolarHBondContact O-N 3.27Å; D344-K347 IonicContact OD1-NZ 3.57Å; C345-K347 PolarHBondContact O-N 2.81Å |
| 348 | D | 92.5 | Very high | 92.9 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | trans | -66.5 | 140 | 179.8 | -161.6 | -71.4 | 0 | 0 | 0 | 110.4 | R317 C345 L346 D350 I353 K354 | R317-D348 IonicContact NH1-OD2 2.9Å; R317-D348 PolarHBondContact NH1-OD2 3.25Å; R317-D348 VanDerWaalsContact NH1-OD2 3.12Å; C345-D348 VanDerWaalsContact O-CB 3.29Å; C345-D348 WeakPolarHBondContact O-CB 3.23Å; C345-D348 PolarHBondContact O-N 2.91Å; L346-D348 VanDerWaalsContact C-N 3.34Å; D348-D350 PolarHBondContact O-N 2.64Å; D348-D350 VanDerWaalsContact OD1-CB 3.31Å; D348-D350 WeakPolarHBondContact OD1-CB 3.39Å; D348-D350 PolarHBondContact OD1-N 3.45Å; D348-I353 HydrophobicContact CB-CB 4.34Å; D348-I353 HydrophobicContact CB-CG2 3.83Å; D348-K354 WeakPolarHBondContact O-CD 3.41Å; D348-K354 WeakPolarHBondContact O-CE 2.99Å; D348-K354 VanDerWaalsContact O-CG 3.25Å; D348-K354 WeakPolarHBondContact O-CG 3.41Å | ||
| 349 | P | 91.6 | Very high | 93 | Very high | 99 Ų | 99 | 47.7 Ų | 47.7 | 64% | 0.643 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -63.9 | -23.8 | 176.3 | 24.4 | -35.4 | 0 | 0 | 0 | 113.7 | ||
| 350 | D | 93.7 | Very high | 93.1 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | trans | -78 | 125 | -176.8 | -164.1 | -64.2 | 0 | 0 | 0 | 113 | K314 D348 S352 I353 K354 | K314-D350 HydrophobicContact CD-CB 4.21Å; D348-D350 PolarHBondContact O-N 2.64Å; D348-D350 VanDerWaalsContact OD1-CB 3.31Å; D348-D350 WeakPolarHBondContact OD1-CB 3.39Å; D348-D350 PolarHBondContact OD1-N 3.45Å; D350-S352 VanDerWaalsContact C-N 3.32Å; D350-S352 PolarHBondContact O-N 3.3Å; D350-S352 WeakPolarHBondContact OD1-CA 3.3Å; D350-S352 VanDerWaalsContact OD1-CB 3.28Å; D350-S352 WeakPolarHBondContact OD1-CB 3.09Å; D350-S352 PolarHBondContact OD1-N 2.92Å; D350-I353 HydrophobicContact CB-CB 4.07Å; D350-I353 HydrophobicContact CB-CD1 3.95Å; D350-I353 HydrophobicContact CB-CG1 3.96Å; D350-I353 PolarHBondContact O-N 3.04Å; D350-I353 PolarHBondContact OD1-N 3.44Å; D350-K354 WeakPolarHBondContact O-CB 3.21Å; D350-K354 WeakPolarHBondContact O-CE 3.45Å; D350-K354 WeakPolarHBondContact O-CG 3.36Å; D350-K354 PolarHBondContact O-N 3.16Å | ||
| 351 | I | 92.2 | Very high | 93.1 | Very high | 75 Ų | 75 | 39.2 Ų | 39.2 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.6 | -37.9 | -179.2 | -61.7 | 173.8 | 0 | 0 | 0 | 111.4 | K354 K355 F388 | I351-K354 PolarHBondContact O-N 3.05Å; I351-K355 WeakPolarHBondContact O-CB 3.19Å; I351-K355 PolarHBondContact O-N 3.45Å; I351-F388 HydrophobicContact CG2-CE2 3.92Å; I351-F388 HydrophobicContact CG2-CZ 3.66Å |
| 352 | S | 93.1 | Very high | 93.1 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 46% | 0.455 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.6 | -39.5 | -178.6 | -51.3 | 0 | 0 | 0 | 0 | 111.4 | D350 K355 R356 | D350-S352 VanDerWaalsContact C-N 3.32Å; D350-S352 PolarHBondContact O-N 3.3Å; D350-S352 WeakPolarHBondContact OD1-CA 3.3Å; D350-S352 VanDerWaalsContact OD1-CB 3.28Å; D350-S352 WeakPolarHBondContact OD1-CB 3.09Å; D350-S352 PolarHBondContact OD1-N 2.92Å; S352-K355 PolarHBondContact O-N 3.29Å; S352-R356 WeakPolarHBondContact O-CG 3.12Å; S352-R356 PolarHBondContact O-N 3.45Å |
| 353 | I | 94.6 | Very high | 93 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.3 | -48 | 174.1 | -64.7 | -179.4 | 0 | 0 | 0 | 109.9 | K314 R317 L321 C345 D348 D350 K355 R356 A357 | K314-I353 HydrophobicContact CB-CD1 3.8Å; K314-I353 HydrophobicContact CG-CD1 3.98Å; R317-I353 HydrophobicContact CB-CD1 4.1Å; L321-I353 HydrophobicContact CD1-CG2 3.7Å; C345-I353 HydrophobicContact CB-CG2 4.18Å; D348-I353 HydrophobicContact CB-CB 4.34Å; D348-I353 HydrophobicContact CB-CG2 3.83Å; D350-I353 HydrophobicContact CB-CB 4.07Å; D350-I353 HydrophobicContact CB-CD1 3.95Å; D350-I353 HydrophobicContact CB-CG1 3.96Å; D350-I353 PolarHBondContact O-N 3.04Å; D350-I353 PolarHBondContact OD1-N 3.44Å; I353-K355 VanDerWaalsContact C-N 3.31Å; I353-K355 PolarHBondContact O-N 3.37Å; I353-R356 PolarHBondContact O-N 3.41Å; I353-A357 VanDerWaalsContact O-CB 3.29Å; I353-A357 WeakPolarHBondContact O-CB 2.98Å; I353-A357 PolarHBondContact O-N 3.21Å |
| 354 | K | 93.4 | Very high | 93 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 14% | 0.139 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.7 | -46.2 | 175.9 | -78.6 | -177.5 | -79.3 | -179.3 | 0 | 111.7 | D348 D350 I351 R356 A357 V358 F380 F388 | D348-K354 WeakPolarHBondContact O-CD 3.41Å; D348-K354 WeakPolarHBondContact O-CE 2.99Å; D348-K354 VanDerWaalsContact O-CG 3.25Å; D348-K354 WeakPolarHBondContact O-CG 3.41Å; D350-K354 WeakPolarHBondContact O-CB 3.21Å; D350-K354 WeakPolarHBondContact O-CE 3.45Å; D350-K354 WeakPolarHBondContact O-CG 3.36Å; D350-K354 PolarHBondContact O-N 3.16Å; I351-K354 PolarHBondContact O-N 3.05Å; K354-R356 PolarHBondContact O-N 2.69Å; K354-A357 PolarHBondContact O-N 2.85Å; K354-V358 VanDerWaalsContact O-CG2 3.26Å; K354-V358 WeakPolarHBondContact O-CG2 3.28Å; K354-V358 PolarHBondContact O-N 3.29Å; K354-F380 HydrophobicContact CD-CE2 4.06Å; K354-F380 HydrophobicContact CG-CE2 4.4Å; K354-F388 HydrophobicContact CB-CE1 4.33Å; K354-F388 HydrophobicContact CB-CZ 3.98Å |
| 355 | K | 93.2 | Very high | 92.9 | Very high | 72 Ų | 72 | 36.5 Ų | 36.5 | 31% | 0.313 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.5 | -49.6 | 178.3 | -167.6 | 165.6 | -174.8 | 159.5 | 0 | 112.8 | I351 S352 I353 V358 E359 E387 F388 | I351-K355 WeakPolarHBondContact O-CB 3.19Å; I351-K355 PolarHBondContact O-N 3.45Å; S352-K355 PolarHBondContact O-N 3.29Å; I353-K355 VanDerWaalsContact C-N 3.31Å; I353-K355 PolarHBondContact O-N 3.37Å; K355-V358 PolarHBondContact O-N 3.26Å; K355-E359 WeakPolarHBondContact O-CG 3.45Å; K355-E359 PolarHBondContact O-N 2.94Å; K355-E359 VanDerWaalsContact O-N 3.1Å; K355-E387 IonicContact NZ-OE1 3.36Å; K355-E387 PolarHBondContact NZ-OE1 3.09Å; K355-F388 HydrophobicContact CB-CE1 3.79Å; K355-F388 HydrophobicContact CB-CZ 4.29Å; K355-F388 HydrophobicContact CG-CE1 4.29Å |
| 356 | R | 93.6 | Very high | 92.7 | Very high | 67 Ų | 67 | 38.2 Ų | 38.2 | 25% | 0.253 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.6 | -35.4 | 177.4 | -63.6 | -55.5 | -177.8 | -170.1 | 0.7 | 112.8 | Y318 L321 S352 I353 K354 E359 L360 | Y318-R356 HydrophobicContact CD2-CG 3.9Å; Y318-R356 HydrophobicContact CE2-CG 3.43Å; Y318-R356 VanDerWaalsContact CE2-CG 3.43Å; Y318-R356 PolarHBondContact OH-NE 2.85Å; Y318-R356 PolarHBondContact OH-NH2 3.43Å; L321-R356 HydrophobicContact CB-CB 3.9Å; L321-R356 HydrophobicContact CD1-CB 4.35Å; S352-R356 WeakPolarHBondContact O-CG 3.12Å; S352-R356 PolarHBondContact O-N 3.45Å; I353-R356 PolarHBondContact O-N 3.41Å; K354-R356 PolarHBondContact O-N 2.69Å; R356-E359 WeakPolarHBondContact CD-OE2 3.28Å; R356-E359 IonicContact CZ-OE2 3.57Å; R356-E359 IonicContact NE-OE2 3.56Å; R356-E359 IonicContact NH1-OE1 3.27Å; R356-E359 IonicContact NH1-OE2 2.62Å; R356-E359 PolarHBondContact NH1-OE2 3.36Å; R356-L360 VanDerWaalsContact O-CB 3.26Å; R356-L360 WeakPolarHBondContact O-CB 3.24Å; R356-L360 PolarHBondContact O-N 2.8Å |
| 357 | A | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L321 C345 L346 I353 K354 L360 C361 | L321-A357 HydrophobicContact CD1-CB 4.16Å; C345-A357 HydrophobicContact CB-CB 3.79Å; L346-A357 HydrophobicContact CD2-CB 3.8Å; L346-A357 HydrophobicContact CG-CB 4.45Å; I353-A357 VanDerWaalsContact O-CB 3.29Å; I353-A357 WeakPolarHBondContact O-CB 2.98Å; I353-A357 PolarHBondContact O-N 3.21Å; K354-A357 PolarHBondContact O-N 2.85Å; A357-L360 PolarHBondContact O-N 3.15Å; A357-C361 VanDerWaalsContact O-CB 3.3Å; A357-C361 WeakPolarHBondContact O-CB 3.27Å; A357-C361 PolarHBondContact O-N 3.22Å; A357-C361 PolarHBondContact O-SG 3.15Å |
| 358 | V | 93.6 | Very high | 92.5 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -51.3 | 175 | 169.5 | 0 | 0 | 0 | 0 | 111 | L346 K354 K355 L360 C361 F362 F380 | L346-V358 HydrophobicContact CD2-CB 4.32Å; L346-V358 HydrophobicContact CD2-CG2 3.53Å; K354-V358 VanDerWaalsContact O-CG2 3.26Å; K354-V358 WeakPolarHBondContact O-CG2 3.28Å; K354-V358 PolarHBondContact O-N 3.29Å; K355-V358 PolarHBondContact O-N 3.26Å; V358-L360 VanDerWaalsContact C-N 3.32Å; V358-L360 PolarHBondContact O-N 2.74Å; V358-C361 WeakPolarHBondContact O-CB 3.49Å; V358-C361 PolarHBondContact O-N 2.88Å; V358-F362 HydrophobicContact CG1-CD2 3.76Å; V358-F362 HydrophobicContact CG1-CE2 3.61Å; V358-F362 VanDerWaalsContact O-CD2 3.23Å; V358-F362 WeakPolarHBondContact O-CD2 3.39Å; V358-F362 PolarHBondContact O-N 3.03Å; V358-F380 HydrophobicContact CG2-CD1 4.17Å; V358-F380 HydrophobicContact CG2-CE1 3.46Å; V358-F380 VanDerWaalsContact CG2-CE1 3.46Å; V358-F380 HydrophobicContact CG2-CZ 3.77Å |
| 359 | E | 92.9 | Very high | 92.4 | Very high | 51 Ų | 51 | 39.1 Ų | 39.1 | 24% | 0.238 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.5 | -46.6 | 177.1 | -71.3 | 168.8 | -176.4 | 0 | 0 | 111.4 | L325 K355 R356 F362 A363 | L325-E359 HydrophobicContact CD1-CB 4.29Å; L325-E359 HydrophobicContact CD2-CB 4.08Å; L325-E359 WeakPolarHBondContact CD2-OE2 3.33Å; K355-E359 WeakPolarHBondContact O-CG 3.45Å; K355-E359 PolarHBondContact O-N 2.94Å; K355-E359 VanDerWaalsContact O-N 3.1Å; R356-E359 WeakPolarHBondContact CD-OE2 3.28Å; R356-E359 IonicContact CZ-OE2 3.57Å; R356-E359 IonicContact NE-OE2 3.56Å; R356-E359 IonicContact NH1-OE1 3.27Å; R356-E359 IonicContact NH1-OE2 2.62Å; R356-E359 PolarHBondContact NH1-OE2 3.36Å; E359-F362 PolarHBondContact O-N 2.87Å; E359-A363 PolarHBondContact O-N 3.49Å |
| 360 | L | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.7 | -38.1 | 178 | -175.5 | 58 | 0 | 0 | 0 | 112.3 | L321 L324 L325 V328 I342 R356 A357 V358 A363 L364 | L321-L360 HydrophobicContact CD2-CD2 3.67Å; L324-L360 HydrophobicContact CB-CD1 4.25Å; L324-L360 HydrophobicContact CB-CD2 3.78Å; L324-L360 HydrophobicContact CD1-CD2 4.25Å; L325-L360 HydrophobicContact CB-CD1 4.37Å; L325-L360 HydrophobicContact CD1-CB 4.39Å; L325-L360 HydrophobicContact CD1-CD1 4.29Å; V328-L360 HydrophobicContact CG2-CD1 3.42Å; V328-L360 VanDerWaalsContact CG2-CD1 3.42Å; I342-L360 HydrophobicContact CD1-CD2 3.65Å; I342-L360 HydrophobicContact CD1-CG 4.19Å; I342-L360 HydrophobicContact CG1-CD2 3.95Å; I342-L360 HydrophobicContact CG2-CB 4.31Å; I342-L360 HydrophobicContact CG2-CD2 3.84Å; I342-L360 HydrophobicContact CG2-CG 3.98Å; R356-L360 VanDerWaalsContact O-CB 3.26Å; R356-L360 WeakPolarHBondContact O-CB 3.24Å; R356-L360 PolarHBondContact O-N 2.8Å; A357-L360 PolarHBondContact O-N 3.15Å; V358-L360 VanDerWaalsContact C-N 3.32Å; V358-L360 PolarHBondContact O-N 2.74Å; L360-A363 PolarHBondContact O-N 3.32Å; L360-L364 HydrophobicContact CD1-CD1 4.26Å; L360-L364 HydrophobicContact CD1-CG 4.25Å; L360-L364 HydrophobicContact CG-CD1 4.04Å; L360-L364 HydrophobicContact CG-CG 4.46Å; L360-L364 WeakPolarHBondContact O-CB 3.39Å; L360-L364 VanDerWaalsContact O-CG 3.24Å; L360-L364 WeakPolarHBondContact O-CG 3.5Å; L360-L364 PolarHBondContact O-N 3.1Å |
| 361 | C | 93.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.4 | -48.4 | 174.5 | -76.9 | 0 | 0 | 0 | 0 | 110.8 | A357 V358 A363 L364 I365 M373 I377 | A357-C361 VanDerWaalsContact O-CB 3.3Å; A357-C361 WeakPolarHBondContact O-CB 3.27Å; A357-C361 PolarHBondContact O-N 3.22Å; A357-C361 PolarHBondContact O-SG 3.15Å; V358-C361 WeakPolarHBondContact O-CB 3.49Å; V358-C361 PolarHBondContact O-N 2.88Å; C361-A363 VanDerWaalsContact C-N 3.33Å; C361-A363 PolarHBondContact O-N 3.38Å; C361-L364 PolarHBondContact O-N 3.15Å; C361-L364 VanDerWaalsContact O-N 3.14Å; C361-I365 WeakPolarHBondContact O-CG1 3.05Å; C361-I365 PolarHBondContact O-N 2.94Å; C361-M373 HydrophobicContact CB-CE 4Å; C361-M373 WeakPolarHBondContact O-CE 3.4Å; C361-I377 HydrophobicContact CB-CD1 4.43Å |
| 362 | F | 92.5 | Very high | 92.4 | Very high | 25 Ų | 25 | 36.8 Ų | 36.8 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -37.3 | 177.4 | -77.1 | -67.7 | 0 | 0 | 0 | 112.7 | V358 E359 L364 I365 I377 C392 N395 M396 A399 | V358-F362 HydrophobicContact CG1-CD2 3.76Å; V358-F362 HydrophobicContact CG1-CE2 3.61Å; V358-F362 VanDerWaalsContact O-CD2 3.23Å; V358-F362 WeakPolarHBondContact O-CD2 3.39Å; V358-F362 PolarHBondContact O-N 3.03Å; E359-F362 PolarHBondContact O-N 2.87Å; F362-L364 VanDerWaalsContact C-N 3.26Å; F362-L364 PolarHBondContact O-N 3.19Å; F362-I365 HydrophobicContact CD1-CD1 3.7Å; F362-I365 HydrophobicContact CE1-CD1 4.24Å; F362-I365 PolarHBondContact O-N 3.46Å; F362-I377 HydrophobicContact CD1-CD1 4.31Å; F362-I377 HydrophobicContact CE1-CD1 3.93Å; F362-I377 HydrophobicContact CZ-CD1 4.07Å; F362-I377 HydrophobicContact CZ-CG2 3.96Å; F362-C392 HydrophobicContact CE2-CB 4.33Å; F362-C392 HydrophobicContact CZ-CB 4.27Å; F362-N395 HydrophobicContact CB-CB 4.49Å; F362-N395 HydrophobicContact CD1-CB 3.75Å; F362-N395 HydrophobicContact CD2-CB 3.57Å; F362-N395 HydrophobicContact CE1-CB 3.75Å; F362-N395 HydrophobicContact CE2-CB 3.55Å; F362-N395 HydrophobicContact CG-CB 3.68Å; F362-N395 HydrophobicContact CZ-CB 3.64Å; F362-M396 HydrophobicContact CE1-CB 4.08Å; F362-M396 HydrophobicContact CE1-CE 3.87Å; F362-M396 HydrophobicContact CE1-SD 4.23Å; F362-M396 HydrophobicContact CZ-CB 4.28Å; F362-M396 HydrophobicContact CZ-CE 4.11Å; F362-A399 HydrophobicContact CD1-CB 4.23Å |
| 363 | A | 91.7 | Very high | 92.3 | Very high | 44 Ų | 44 | 33.9 Ų | 33.9 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66 | -25.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L325 V328 E359 L360 C361 | L325-A363 HydrophobicContact CD1-CB 4.03Å; V328-A363 HydrophobicContact CG1-CB 4.36Å; V328-A363 HydrophobicContact CG2-CB 4.35Å; E359-A363 PolarHBondContact O-N 3.49Å; L360-A363 PolarHBondContact O-N 3.32Å; C361-A363 VanDerWaalsContact C-N 3.33Å; C361-A363 PolarHBondContact O-N 3.38Å |
| 364 | L | 91.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5.1 | 178.7 | -70.1 | 173.4 | 0 | 0 | 0 | 114.1 | V328 V335 Q336 I342 L360 C361 F362 N366 N369 M373 | V328-L364 HydrophobicContact CG1-CD2 4.23Å; V335-L364 HydrophobicContact CB-CD2 4.15Å; V335-L364 HydrophobicContact CG1-CD1 4.26Å; V335-L364 HydrophobicContact CG1-CD2 3.65Å; V335-L364 HydrophobicContact CG1-CG 4.49Å; Q336-L364 HydrophobicContact CG-CD2 4.42Å; Q336-L364 PolarHBondContact NE2-O 3.19Å; I342-L364 HydrophobicContact CD1-CD1 3.57Å; I342-L364 HydrophobicContact CG2-CD1 4.45Å; L360-L364 HydrophobicContact CD1-CD1 4.26Å; L360-L364 HydrophobicContact CD1-CG 4.25Å; L360-L364 HydrophobicContact CG-CD1 4.04Å; L360-L364 HydrophobicContact CG-CG 4.46Å; L360-L364 WeakPolarHBondContact O-CB 3.39Å; L360-L364 VanDerWaalsContact O-CG 3.24Å; L360-L364 WeakPolarHBondContact O-CG 3.5Å; L360-L364 PolarHBondContact O-N 3.1Å; C361-L364 PolarHBondContact O-N 3.15Å; C361-L364 VanDerWaalsContact O-N 3.14Å; F362-L364 VanDerWaalsContact C-N 3.26Å; F362-L364 PolarHBondContact O-N 3.19Å; L364-N366 PolarHBondContact O-N 2.72Å; L364-N369 PolarHBondContact O-ND2 3.21Å; L364-M373 HydrophobicContact CB-CE 4.2Å |
| 365 | I | 91.8 | Very high | 92.2 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | trans | -68.8 | 134.9 | 178.4 | -67 | 174.6 | 0 | 0 | 0 | 110.3 | C361 F362 N369 I370 M373 I377 A399 F403 | C361-I365 WeakPolarHBondContact O-CG1 3.05Å; C361-I365 PolarHBondContact O-N 2.94Å; F362-I365 HydrophobicContact CD1-CD1 3.7Å; F362-I365 HydrophobicContact CE1-CD1 4.24Å; F362-I365 PolarHBondContact O-N 3.46Å; I365-N369 WeakPolarHBondContact CA-OD1 3.43Å; I365-I370 HydrophobicContact CD1-CD1 4.45Å; I365-I370 HydrophobicContact CG2-CB 4.12Å; I365-I370 HydrophobicContact CG2-CD1 3.38Å; I365-I370 HydrophobicContact CG2-CG1 4.3Å; I365-M373 HydrophobicContact CG1-CB 4.14Å; I365-M373 HydrophobicContact CG1-CE 3.99Å; I365-M373 HydrophobicContact CG1-SD 3.83Å; I365-I377 HydrophobicContact CD1-CD1 4.11Å; I365-A399 HydrophobicContact CD1-CB 3.87Å; I365-A399 HydrophobicContact CG2-CB 4.34Å; I365-F403 HydrophobicContact CG2-CB 4.48Å; I365-F403 HydrophobicContact CG2-CD2 3.74Å; I365-F403 HydrophobicContact CG2-CE2 4.37Å; I365-F403 HydrophobicContact CG2-CG 4.39Å; I365-F403 WeakPolarHBondContact O-CE2 3.41Å | ||
| 366 | N | 89.7 | Confident | 92.1 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 23% | 0.23 | 21% | 0.213 | C | C | . | . | trans | -141.1 | 173.5 | 174.7 | 68.7 | 35.6 | 0 | 0 | 0 | 110.3 | L364 T368 N369 I370 | L364-N366 PolarHBondContact O-N 2.72Å; N366-T368 PolarHBondContact O-N 2.79Å; N366-T368 VanDerWaalsContact O-N 3.09Å; N366-T368 WeakPolarHBondContact OD1-CA 3.48Å; N366-T368 WeakPolarHBondContact OD1-CB 3.23Å; N366-T368 PolarHBondContact OD1-N 3.24Å; N366-T368 PolarHBondContact OD1-OG1 3.22Å; N366-N369 PolarHBondContact N-OD1 3.16Å; N366-N369 PolarHBondContact ND2-ND2 3.41Å; N366-N369 PolarHBondContact O-N 2.89Å; N366-N369 PolarHBondContact O-OD1 2.63Å; N366-N369 VanDerWaalsContact O-OD1 3.06Å; N366-N369 PolarHBondContact OD1-N 3.49Å; N366-N369 PolarHBondContact OD1-ND2 3.16Å; N366-N369 PolarHBondContact OD1-OD1 3.13Å; N366-I370 WeakPolarHBondContact O-CB 3.2Å; N366-I370 PolarHBondContact O-N 3.32Å; N366-I370 VanDerWaalsContact O-N 3.09Å | ||
| 367 | G | 89.1 | Confident | 92.1 | Very high | 50 Ų | 50 | 36.6 Ų | 36.6 | 52% | 0.515 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 368 | T | 90 | Very high | 92 | Very high | 133 Ų | 133 | 37.7 Ų | 37.7 | 82% | 0.816 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -34.1 | 179.8 | 68.9 | 0 | 0 | 0 | 0 | 113 | N366 | N366-T368 PolarHBondContact O-N 2.79Å; N366-T368 VanDerWaalsContact O-N 3.09Å; N366-T368 WeakPolarHBondContact OD1-CA 3.48Å; N366-T368 WeakPolarHBondContact OD1-CB 3.23Å; N366-T368 PolarHBondContact OD1-N 3.24Å; N366-T368 PolarHBondContact OD1-OG1 3.22Å |
| 369 | N | 91.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -11.8 | -170.5 | 68.7 | 17 | 0 | 0 | 0 | 113.9 | Q336 R339 L364 I365 N366 R371 S372 M373 | Q336-N369 PolarHBondContact OE1-ND2 3.18Å; R339-N369 VanDerWaalsContact NH1-CB 3.34Å; L364-N369 PolarHBondContact O-ND2 3.21Å; I365-N369 WeakPolarHBondContact CA-OD1 3.43Å; N366-N369 PolarHBondContact N-OD1 3.16Å; N366-N369 PolarHBondContact ND2-ND2 3.41Å; N366-N369 PolarHBondContact O-N 2.89Å; N366-N369 PolarHBondContact O-OD1 2.63Å; N366-N369 VanDerWaalsContact O-OD1 3.06Å; N366-N369 PolarHBondContact OD1-N 3.49Å; N366-N369 PolarHBondContact OD1-ND2 3.16Å; N366-N369 PolarHBondContact OD1-OD1 3.13Å; N369-R371 VanDerWaalsContact C-N 3.31Å; N369-R371 PolarHBondContact O-N 3Å; N369-R371 VanDerWaalsContact O-N 3.16Å; N369-S372 PolarHBondContact O-N 3.5Å; N369-S372 PolarHBondContact O-OG 2.8Å; N369-M373 HydrophobicContact CB-CG 4.33Å; N369-M373 HydrophobicContact CB-SD 4.32Å; N369-M373 VanDerWaalsContact CG-SD 3.6Å; N369-M373 PolarHBondContact O-N 2.87Å |
| 370 | I | 92.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -45.5 | -50.3 | -176 | -178.5 | 67.6 | 0 | 0 | 0 | 112.7 | I365 N366 S372 M373 T374 A399 F403 P405 W409 | I365-I370 HydrophobicContact CD1-CD1 4.45Å; I365-I370 HydrophobicContact CG2-CB 4.12Å; I365-I370 HydrophobicContact CG2-CD1 3.38Å; I365-I370 HydrophobicContact CG2-CG1 4.3Å; N366-I370 WeakPolarHBondContact O-CB 3.2Å; N366-I370 PolarHBondContact O-N 3.32Å; N366-I370 VanDerWaalsContact O-N 3.09Å; I370-S372 VanDerWaalsContact C-N 3.28Å; I370-S372 PolarHBondContact O-N 2.92Å; I370-M373 PolarHBondContact O-N 2.88Å; I370-T374 VanDerWaalsContact O-CB 3.3Å; I370-T374 WeakPolarHBondContact O-CB 3.44Å; I370-T374 PolarHBondContact O-N 2.94Å; I370-T374 PolarHBondContact O-OG1 3.25Å; I370-A399 HydrophobicContact CD1-CB 4.5Å; I370-F403 HydrophobicContact CB-CB 4.4Å; I370-F403 HydrophobicContact CG1-CB 4.46Å; I370-P405 HydrophobicContact CG2-CG 4.26Å; I370-W409 HydrophobicContact CD1-CH2 3.94Å; I370-W409 HydrophobicContact CD1-CZ3 4.42Å; I370-W409 HydrophobicContact CG1-CH2 3.34Å; I370-W409 HydrophobicContact CG1-CZ2 4.18Å; I370-W409 HydrophobicContact CG1-CZ3 3.76Å |
| 371 | R | 92.3 | Very high | 91.8 | Very high | 115 Ų | 115 | 40.5 Ų | 40.5 | 43% | 0.434 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -34.5 | -178.2 | -66.1 | -175.6 | -176.4 | -87.6 | 3.3 | 113.5 | N369 K375 P405 W409 | N369-R371 VanDerWaalsContact C-N 3.31Å; N369-R371 PolarHBondContact O-N 3Å; N369-R371 VanDerWaalsContact O-N 3.16Å; R371-K375 WeakPolarHBondContact O-CG 3.49Å; R371-P405 HydrophobicContact CG-CG 4.47Å; R371-W409 HydrophobicContact CG-CZ2 4.39Å |
| 372 | S | 91.9 | Very high | 91.7 | Very high | 54 Ų | 54 | 46.1 Ų | 46.1 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -79.3 | -45.3 | 179.4 | 61.7 | 0 | 0 | 0 | 0 | 111.6 | N369 I370 K375 E376 | N369-S372 PolarHBondContact O-N 3.5Å; N369-S372 PolarHBondContact O-OG 2.8Å; I370-S372 VanDerWaalsContact C-N 3.28Å; I370-S372 PolarHBondContact O-N 2.92Å; S372-K375 PolarHBondContact O-N 2.94Å; S372-E376 PolarHBondContact O-N 3.21Å |
| 373 | M | 92 | Very high | 91.5 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69 | -38.5 | -177.6 | -66.5 | -167.4 | 67.7 | 0 | 0 | 112.2 | C361 L364 I365 N369 I370 K375 E376 I377 | C361-M373 HydrophobicContact CB-CE 4Å; C361-M373 WeakPolarHBondContact O-CE 3.4Å; L364-M373 HydrophobicContact CB-CE 4.2Å; I365-M373 HydrophobicContact CG1-CB 4.14Å; I365-M373 HydrophobicContact CG1-CE 3.99Å; I365-M373 HydrophobicContact CG1-SD 3.83Å; N369-M373 HydrophobicContact CB-CG 4.33Å; N369-M373 HydrophobicContact CB-SD 4.32Å; N369-M373 VanDerWaalsContact CG-SD 3.6Å; N369-M373 PolarHBondContact O-N 2.87Å; I370-M373 PolarHBondContact O-N 2.88Å; M373-K375 VanDerWaalsContact C-N 3.26Å; M373-K375 PolarHBondContact O-N 3.23Å; M373-E376 PolarHBondContact O-N 3.02Å; M373-I377 VanDerWaalsContact O-CG1 3.32Å; M373-I377 WeakPolarHBondContact O-CG1 3.36Å; M373-I377 PolarHBondContact O-N 3.23Å |
| 374 | T | 92.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.7 | -37.3 | 174.7 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | I370 I377 L378 M396 W409 T413 | I370-T374 VanDerWaalsContact O-CB 3.3Å; I370-T374 WeakPolarHBondContact O-CB 3.44Å; I370-T374 PolarHBondContact O-N 2.94Å; I370-T374 PolarHBondContact O-OG1 3.25Å; T374-I377 PolarHBondContact O-N 3.02Å; T374-L378 HydrophobicContact CG2-CD1 3.95Å; T374-L378 HydrophobicContact CG2-CG 4.35Å; T374-L378 WeakPolarHBondContact O-CB 3.43Å; T374-L378 VanDerWaalsContact O-CG 3.26Å; T374-L378 WeakPolarHBondContact O-CG 3.31Å; T374-L378 PolarHBondContact O-N 3.08Å; T374-M396 HydrophobicContact CG2-CE 4.18Å; T374-M396 HydrophobicContact CG2-SD 3.9Å; T374-W409 HydrophobicContact CG2-CH2 4.38Å; T374-W409 HydrophobicContact CG2-CZ2 4.16Å; T374-T413 HydrophobicContact CG2-CG2 3.37Å |
| 375 | K | 92.6 | Very high | 91.2 | Very high | 144 Ų | 144 | 53 Ų | 53 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.6 | -46.9 | 177.7 | -71.8 | 176.9 | -179.4 | -173.6 | 0 | 111.7 | R371 S372 M373 L378 I379 | R371-K375 WeakPolarHBondContact O-CG 3.49Å; S372-K375 PolarHBondContact O-N 2.94Å; M373-K375 VanDerWaalsContact C-N 3.26Å; M373-K375 PolarHBondContact O-N 3.23Å; K375-L378 PolarHBondContact O-N 2.74Å; K375-I379 WeakPolarHBondContact O-CG1 3.47Å; K375-I379 PolarHBondContact O-N 2.52Å; K375-I379 VanDerWaalsContact O-N 3.13Å |
| 376 | E | 91.2 | Very high | 91 | Very high | 76 Ų | 76 | 56.5 Ų | 56.5 | 36% | 0.355 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 177.8 | -63.5 | -62.6 | 145.2 | 0 | 0 | 111.8 | V343 S372 M373 I379 F380 | V343-E376 HydrophobicContact CG1-CB 3.92Å; V343-E376 HydrophobicContact CG1-CG 3.93Å; S372-E376 PolarHBondContact O-N 3.21Å; M373-E376 PolarHBondContact O-N 3.02Å; E376-I379 PolarHBondContact O-N 2.91Å; E376-F380 PolarHBondContact O-N 2.85Å |
| 377 | I | 93.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 177.3 | -64.9 | 165.5 | 0 | 0 | 0 | 111 | C361 F362 I365 M373 T374 I379 F380 V381 M396 | C361-I377 HydrophobicContact CB-CD1 4.43Å; F362-I377 HydrophobicContact CD1-CD1 4.31Å; F362-I377 HydrophobicContact CE1-CD1 3.93Å; F362-I377 HydrophobicContact CZ-CD1 4.07Å; F362-I377 HydrophobicContact CZ-CG2 3.96Å; I365-I377 HydrophobicContact CD1-CD1 4.11Å; M373-I377 VanDerWaalsContact O-CG1 3.32Å; M373-I377 WeakPolarHBondContact O-CG1 3.36Å; M373-I377 PolarHBondContact O-N 3.23Å; T374-I377 PolarHBondContact O-N 3.02Å; I377-I379 PolarHBondContact O-N 3.35Å; I377-F380 WeakPolarHBondContact O-CB 3.36Å; I377-F380 PolarHBondContact O-N 3.29Å; I377-V381 HydrophobicContact CG2-CG2 4.17Å; I377-V381 VanDerWaalsContact O-CG2 3.27Å; I377-V381 WeakPolarHBondContact O-CG2 3.31Å; I377-V381 PolarHBondContact O-N 3.3Å; I377-M396 HydrophobicContact CB-CE 3.6Å; I377-M396 HydrophobicContact CD1-CE 3.85Å; I377-M396 HydrophobicContact CG1-CE 4.33Å; I377-M396 HydrophobicContact CG2-CE 3.37Å |
| 378 | L | 92.3 | Very high | 91 | Very high | 24 Ų | 24 | 56.9 Ų | 56.9 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 176 | -78 | 171 | 0 | 0 | 0 | 112.1 | T374 K375 F380 V381 E382 K416 V417 | T374-L378 HydrophobicContact CG2-CD1 3.95Å; T374-L378 HydrophobicContact CG2-CG 4.35Å; T374-L378 WeakPolarHBondContact O-CB 3.43Å; T374-L378 VanDerWaalsContact O-CG 3.26Å; T374-L378 WeakPolarHBondContact O-CG 3.31Å; T374-L378 PolarHBondContact O-N 3.08Å; K375-L378 PolarHBondContact O-N 2.74Å; L378-F380 VanDerWaalsContact C-N 3.27Å; L378-F380 PolarHBondContact O-N 3.3Å; L378-V381 PolarHBondContact O-N 3.38Å; L378-E382 PolarHBondContact O-N 3.18Å; L378-E382 VanDerWaalsContact O-N 3.12Å; L378-K416 HydrophobicContact CD1-CB 4.43Å; L378-V417 HydrophobicContact CD2-CB 4.5Å; L378-V417 HydrophobicContact CD2-CG2 3.68Å |
| 379 | I | 92 | Very high | 91 | Very high | 94 Ų | 94 | 52.2 Ų | 52.2 | 48% | 0.482 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 174 | -65.8 | 164.8 | 0 | 0 | 0 | 110.7 | K375 E376 I377 | K375-I379 WeakPolarHBondContact O-CG1 3.47Å; K375-I379 PolarHBondContact O-N 2.52Å; K375-I379 VanDerWaalsContact O-N 3.13Å; E376-I379 PolarHBondContact O-N 2.91Å; I377-I379 PolarHBondContact O-N 3.35Å |
| 380 | F | 92.1 | Very high | 90.9 | Very high | 16 Ų | 16 | 53.6 Ų | 53.6 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -47.6 | 174 | 170.5 | -103 | 0 | 0 | 0 | 111.9 | L346 K354 V358 E376 I377 L378 E382 T383 A384 F388 | L346-F380 HydrophobicContact CB-CD2 4.09Å; L346-F380 HydrophobicContact CB-CG 4.49Å; L346-F380 WeakPolarHBondContact O-CD2 3.2Å; L346-F380 WeakPolarHBondContact O-CE2 3.45Å; K354-F380 HydrophobicContact CD-CE2 4.06Å; K354-F380 HydrophobicContact CG-CE2 4.4Å; V358-F380 HydrophobicContact CG2-CD1 4.17Å; V358-F380 HydrophobicContact CG2-CE1 3.46Å; V358-F380 VanDerWaalsContact CG2-CE1 3.46Å; V358-F380 HydrophobicContact CG2-CZ 3.77Å; E376-F380 PolarHBondContact O-N 2.85Å; I377-F380 WeakPolarHBondContact O-CB 3.36Å; I377-F380 PolarHBondContact O-N 3.29Å; L378-F380 VanDerWaalsContact C-N 3.27Å; L378-F380 PolarHBondContact O-N 3.3Å; F380-E382 VanDerWaalsContact C-N 3.26Å; F380-E382 PolarHBondContact O-N 3.21Å; F380-T383 PolarHBondContact O-N 3.1Å; F380-T383 VanDerWaalsContact O-N 3.1Å; F380-T383 PolarHBondContact O-OG1 2.78Å; F380-A384 HydrophobicContact CD1-CB 4.3Å; F380-A384 HydrophobicContact CE1-CB 3.94Å; F380-A384 HydrophobicContact CE2-CB 4.27Å; F380-A384 HydrophobicContact CZ-CB 3.93Å; F380-A384 VanDerWaalsContact O-CB 3.25Å; F380-A384 WeakPolarHBondContact O-CB 3.19Å; F380-A384 PolarHBondContact O-N 3.49Å; F380-F388 HydrophobicContact CE1-CB 4.04Å; F380-F388 HydrophobicContact CE1-CD1 4.5Å; F380-F388 HydrophobicContact CE1-CG 4.31Å; F380-F388 HydrophobicContact CZ-CB 4.15Å; F380-F388 HydrophobicContact CZ-CD1 4.21Å; F380-F388 HydrophobicContact CZ-CD2 4.37Å; F380-F388 AromaticContact CZ-CG 3.99Å; F380-F388 HydrophobicContact CZ-CG 3.99Å |
| 381 | V | 91.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.9 | -29.4 | -177.7 | 178.3 | 0 | 0 | 0 | 0 | 112.5 | I377 L378 T383 K389 C392 V420 A421 | I377-V381 HydrophobicContact CG2-CG2 4.17Å; I377-V381 VanDerWaalsContact O-CG2 3.27Å; I377-V381 WeakPolarHBondContact O-CG2 3.31Å; I377-V381 PolarHBondContact O-N 3.3Å; L378-V381 PolarHBondContact O-N 3.38Å; V381-T383 VanDerWaalsContact C-N 3.31Å; V381-T383 PolarHBondContact O-N 3.48Å; V381-K389 HydrophobicContact CG1-CB 4.45Å; V381-K389 HydrophobicContact CG1-CG 4.1Å; V381-K389 WeakPolarHBondContact O-CE 3.12Å; V381-C392 HydrophobicContact CG2-CB 3.5Å; V381-C392 VanDerWaalsContact CG2-CB 3.5Å; V381-V420 HydrophobicContact CB-CG1 4.22Å; V381-V420 HydrophobicContact CG1-CG1 3.84Å; V381-A421 HydrophobicContact CG1-CB 4.43Å |
| 382 | E | 90.8 | Very high | 90.9 | Very high | 120 Ų | 120 | 50.6 Ų | 50.6 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60 | -40.7 | 174 | -74.9 | 176.8 | -177.9 | 0 | 0 | 112.5 | L378 F380 V420 | L378-E382 PolarHBondContact O-N 3.18Å; L378-E382 VanDerWaalsContact O-N 3.12Å; F380-E382 VanDerWaalsContact C-N 3.26Å; F380-E382 PolarHBondContact O-N 3.21Å; E382-V420 HydrophobicContact CB-CG1 4.13Å; E382-V420 HydrophobicContact CG-CB 4.45Å; E382-V420 HydrophobicContact CG-CG1 3.43Å; E382-V420 VanDerWaalsContact CG-CG1 3.43Å; E382-V420 HydrophobicContact CG-CG2 4.08Å |
| 383 | T | 89.3 | Confident | 90.8 | Very high | 120 Ų | 120 | 48 Ų | 48 | 74% | 0.736 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -99.2 | -8.7 | -175.5 | 59.4 | 0 | 0 | 0 | 0 | 113.9 | F380 V381 | F380-T383 PolarHBondContact O-N 3.1Å; F380-T383 VanDerWaalsContact O-N 3.1Å; F380-T383 PolarHBondContact O-OG1 2.78Å; V381-T383 VanDerWaalsContact C-N 3.31Å; V381-T383 PolarHBondContact O-N 3.48Å |
| 384 | A | 88.7 | Confident | 90.8 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -76.1 | 157 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | F380 F388 K389 | F380-A384 HydrophobicContact CD1-CB 4.3Å; F380-A384 HydrophobicContact CE1-CB 3.94Å; F380-A384 HydrophobicContact CE2-CB 4.27Å; F380-A384 HydrophobicContact CZ-CB 3.93Å; F380-A384 VanDerWaalsContact O-CB 3.25Å; F380-A384 WeakPolarHBondContact O-CB 3.19Å; F380-A384 PolarHBondContact O-N 3.49Å; A384-F388 HydrophobicContact CB-CB 3.87Å; A384-K389 WeakPolarHBondContact O-CE 3.2Å |
| 385 | E | 88.8 | Confident | 90.7 | Very high | 81 Ų | 81 | 50.4 Ų | 50.4 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | trans | -67.6 | 156.3 | 173.1 | -63.5 | 168.5 | -150.9 | 0 | 0 | 111.7 | E387 F388 K389 | E385-E387 VanDerWaalsContact C-N 3.27Å; E385-E387 PolarHBondContact O-N 3.03Å; E385-E387 VanDerWaalsContact O-N 3.13Å; E385-F388 HydrophobicContact CB-CD2 4.09Å; E385-F388 PolarHBondContact O-N 3.38Å; E385-K389 PolarHBondContact O-N 3.02Å | ||
| 386 | P | 87.3 | Confident | 90.7 | Very high | 81 Ų | 81 | 43.6 Ų | 43.6 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -52 | -36.3 | -177.4 | -31 | 37.6 | 0 | 0 | 0 | 115.7 | F388 K389 A390 | P386-F388 PolarHBondContact O-N 2.99Å; P386-K389 PolarHBondContact O-N 3.4Å; P386-A390 PolarHBondContact O-N 3.48Å |
| 387 | E | 85.9 | Confident | 90.7 | Very high | 98 Ų | 98 | 40.4 Ų | 40.4 | 46% | 0.458 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61 | -43.9 | 178.1 | -173 | -174.4 | 159.7 | 0 | 0 | 111.4 | K355 E385 I391 | K355-E387 IonicContact NZ-OE1 3.36Å; K355-E387 PolarHBondContact NZ-OE1 3.09Å; E385-E387 VanDerWaalsContact C-N 3.27Å; E385-E387 PolarHBondContact O-N 3.03Å; E385-E387 VanDerWaalsContact O-N 3.13Å; E387-I391 HydrophobicContact CG-CD1 4.19Å; E387-I391 WeakPolarHBondContact O-CG1 3.33Å; E387-I391 PolarHBondContact O-N 3.5Å |
| 388 | F | 91.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.4 | -33.9 | 179 | -67.8 | -65.6 | 0 | 0 | 0 | 112.5 | I351 K354 K355 F380 A384 E385 P386 A390 I391 C392 | I351-F388 HydrophobicContact CG2-CE2 3.92Å; I351-F388 HydrophobicContact CG2-CZ 3.66Å; K354-F388 HydrophobicContact CB-CE1 4.33Å; K354-F388 HydrophobicContact CB-CZ 3.98Å; K355-F388 HydrophobicContact CB-CE1 3.79Å; K355-F388 HydrophobicContact CB-CZ 4.29Å; K355-F388 HydrophobicContact CG-CE1 4.29Å; F380-F388 HydrophobicContact CE1-CB 4.04Å; F380-F388 HydrophobicContact CE1-CD1 4.5Å; F380-F388 HydrophobicContact CE1-CG 4.31Å; F380-F388 HydrophobicContact CZ-CB 4.15Å; F380-F388 HydrophobicContact CZ-CD1 4.21Å; F380-F388 HydrophobicContact CZ-CD2 4.37Å; F380-F388 AromaticContact CZ-CG 3.99Å; F380-F388 HydrophobicContact CZ-CG 3.99Å; A384-F388 HydrophobicContact CB-CB 3.87Å; E385-F388 HydrophobicContact CB-CD2 4.09Å; E385-F388 PolarHBondContact O-N 3.38Å; P386-F388 PolarHBondContact O-N 2.99Å; F388-A390 VanDerWaalsContact C-N 3.32Å; F388-A390 PolarHBondContact O-N 2.85Å; F388-I391 PolarHBondContact O-N 3.44Å; F388-C392 VanDerWaalsContact O-CB 3.24Å; F388-C392 WeakPolarHBondContact O-CB 3.37Å; F388-C392 PolarHBondContact O-N 2.98Å; F388-C392 PolarHBondContact O-SG 2.83Å |
| 389 | K | 91.5 | Very high | 90.5 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 179.3 | -64.8 | -169.7 | 178.4 | -151.7 | 0 | 111.7 | V381 A384 E385 P386 S393 A421 N424 | V381-K389 HydrophobicContact CG1-CB 4.45Å; V381-K389 HydrophobicContact CG1-CG 4.1Å; V381-K389 WeakPolarHBondContact O-CE 3.12Å; A384-K389 WeakPolarHBondContact O-CE 3.2Å; E385-K389 PolarHBondContact O-N 3.02Å; P386-K389 PolarHBondContact O-N 3.4Å; K389-S393 WeakPolarHBondContact O-CB 3.43Å; K389-S393 PolarHBondContact O-N 3.23Å; K389-S393 PolarHBondContact O-OG 2.96Å; K389-A421 HydrophobicContact CB-CB 4.38Å; K389-N424 HydrophobicContact CB-CB 3.81Å |
| 390 | A | 89.8 | Confident | 90.5 | Very high | 32 Ų | 32 | 35.8 Ų | 35.8 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.7 | -50.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P386 F388 C392 S393 S394 N424 | P386-A390 PolarHBondContact O-N 3.48Å; F388-A390 VanDerWaalsContact C-N 3.32Å; F388-A390 PolarHBondContact O-N 2.85Å; A390-C392 PolarHBondContact O-N 2.92Å; A390-S393 PolarHBondContact O-N 3.15Å; A390-S394 PolarHBondContact O-N 3.23Å; A390-N424 VanDerWaalsContact CA-O 3.31Å; A390-N424 WeakPolarHBondContact CA-O 3.38Å; A390-N424 WeakPolarHBondContact CB-O 3.43Å |
| 391 | I | 90.9 | Very high | 90.3 | Very high | 52 Ų | 52 | 38.4 Ų | 38.4 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.6 | -45.9 | -179.9 | -64.1 | 168.9 | 0 | 0 | 0 | 111 | E387 F388 S393 N395 | E387-I391 HydrophobicContact CG-CD1 4.19Å; E387-I391 WeakPolarHBondContact O-CG1 3.33Å; E387-I391 PolarHBondContact O-N 3.5Å; F388-I391 PolarHBondContact O-N 3.44Å; I391-S393 VanDerWaalsContact C-N 3.32Å; I391-S393 PolarHBondContact O-N 3.46Å; I391-N395 WeakPolarHBondContact O-CB 3.38Å; I391-N395 PolarHBondContact O-N 2.87Å; I391-N395 PolarHBondContact O-ND2 3.36Å |
| 392 | C | 92.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -35.7 | 179.4 | -66.6 | 0 | 0 | 0 | 0 | 112 | F362 V381 F388 A390 M396 | F362-C392 HydrophobicContact CE2-CB 4.33Å; F362-C392 HydrophobicContact CZ-CB 4.27Å; V381-C392 HydrophobicContact CG2-CB 3.5Å; V381-C392 VanDerWaalsContact CG2-CB 3.5Å; F388-C392 VanDerWaalsContact O-CB 3.24Å; F388-C392 WeakPolarHBondContact O-CB 3.37Å; F388-C392 PolarHBondContact O-N 2.98Å; F388-C392 PolarHBondContact O-SG 2.83Å; A390-C392 PolarHBondContact O-N 2.92Å; C392-M396 WeakPolarHBondContact O-CB 3.42Å; C392-M396 PolarHBondContact O-N 3.42Å |
| 393 | S | 91.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.1 | -47.9 | 179.9 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | K389 A390 I391 M396 Y397 A421 | K389-S393 WeakPolarHBondContact O-CB 3.43Å; K389-S393 PolarHBondContact O-N 3.23Å; K389-S393 PolarHBondContact O-OG 2.96Å; A390-S393 PolarHBondContact O-N 3.15Å; I391-S393 VanDerWaalsContact C-N 3.32Å; I391-S393 PolarHBondContact O-N 3.46Å; S393-M396 PolarHBondContact O-N 2.86Å; S393-Y397 PolarHBondContact O-N 3.01Å; S393-A421 WeakPolarHBondContact OG-CB 3.48Å |
| 394 | S | 91 | Very high | 90.2 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -46.2 | 178.3 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | A390 M396 Y397 I398 D428 | A390-S394 PolarHBondContact O-N 3.23Å; S394-M396 VanDerWaalsContact C-N 3.34Å; S394-M396 PolarHBondContact O-N 3.19Å; S394-Y397 WeakPolarHBondContact O-CB 3.38Å; S394-Y397 PolarHBondContact O-N 2.97Å; S394-I398 WeakPolarHBondContact O-CD1 3.32Å; S394-I398 WeakPolarHBondContact O-CG1 3.33Å; S394-I398 PolarHBondContact O-N 3.03Å; S394-I398 VanDerWaalsContact O-N 3.15Å; S394-D428 PolarHBondContact OG-OD2 2.68Å |
| 395 | N | 91.7 | Very high | 90.2 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 24% | 0.235 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.7 | -33.8 | 177.9 | -73.5 | -20.1 | 0 | 0 | 0 | 113.5 | F362 I391 Y397 I398 A399 | F362-N395 HydrophobicContact CB-CB 4.49Å; F362-N395 HydrophobicContact CD1-CB 3.75Å; F362-N395 HydrophobicContact CD2-CB 3.57Å; F362-N395 HydrophobicContact CE1-CB 3.75Å; F362-N395 HydrophobicContact CE2-CB 3.55Å; F362-N395 HydrophobicContact CG-CB 3.68Å; F362-N395 HydrophobicContact CZ-CB 3.64Å; I391-N395 WeakPolarHBondContact O-CB 3.38Å; I391-N395 PolarHBondContact O-N 2.87Å; I391-N395 PolarHBondContact O-ND2 3.36Å; N395-Y397 VanDerWaalsContact C-N 3.34Å; N395-I398 PolarHBondContact O-N 2.94Å; N395-A399 WeakPolarHBondContact O-CB 3.24Å; N395-A399 PolarHBondContact O-N 3.37Å |
| 396 | M | 92.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.8 | -36.1 | 176.4 | -169.7 | 60.6 | 72.4 | 0 | 0 | 111.6 | F362 T374 I377 C392 S393 S394 S400 T413 M414 V417 | F362-M396 HydrophobicContact CE1-CB 4.08Å; F362-M396 HydrophobicContact CE1-CE 3.87Å; F362-M396 HydrophobicContact CE1-SD 4.23Å; F362-M396 HydrophobicContact CZ-CB 4.28Å; F362-M396 HydrophobicContact CZ-CE 4.11Å; T374-M396 HydrophobicContact CG2-CE 4.18Å; T374-M396 HydrophobicContact CG2-SD 3.9Å; I377-M396 HydrophobicContact CB-CE 3.6Å; I377-M396 HydrophobicContact CD1-CE 3.85Å; I377-M396 HydrophobicContact CG1-CE 4.33Å; I377-M396 HydrophobicContact CG2-CE 3.37Å; C392-M396 WeakPolarHBondContact O-CB 3.42Å; C392-M396 PolarHBondContact O-N 3.42Å; S393-M396 PolarHBondContact O-N 2.86Å; S394-M396 VanDerWaalsContact C-N 3.34Å; S394-M396 PolarHBondContact O-N 3.19Å; M396-S400 VanDerWaalsContact O-CB 3.25Å; M396-S400 WeakPolarHBondContact O-CB 3.36Å; M396-S400 PolarHBondContact O-N 2.91Å; M396-S400 PolarHBondContact O-OG 3.22Å; M396-T413 HydrophobicContact CG-CG2 4.47Å; M396-M414 HydrophobicContact CB-CE 4.31Å; M396-M414 HydrophobicContact CG-CE 3.61Å; M396-V417 HydrophobicContact CB-CG2 4.3Å; M396-V417 HydrophobicContact CG-CG2 3.75Å |
| 397 | Y | 90.6 | Very high | 90.4 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.6 | -51.3 | 172.2 | -173.8 | -81.6 | 0 | 0 | 0 | 110.7 | S393 S394 N395 A399 S400 E401 M414 V429 S432 L585 | S393-Y397 PolarHBondContact O-N 3.01Å; S394-Y397 WeakPolarHBondContact O-CB 3.38Å; S394-Y397 PolarHBondContact O-N 2.97Å; N395-Y397 VanDerWaalsContact C-N 3.34Å; Y397-A399 VanDerWaalsContact C-N 3.32Å; Y397-A399 PolarHBondContact O-N 3.3Å; Y397-S400 PolarHBondContact O-N 3.39Å; Y397-S400 VanDerWaalsContact O-N 3.11Å; Y397-E401 HydrophobicContact CE1-CB 4.28Å; Y397-E401 WeakPolarHBondContact CE1-OE2 3.32Å; Y397-E401 WeakPolarHBondContact O-CB 3.1Å; Y397-E401 PolarHBondContact O-N 3.33Å; Y397-M414 VanDerWaalsContact CA-SD 3.58Å; Y397-M414 HydrophobicContact CD2-CG 4.02Å; Y397-M414 HydrophobicContact CD2-SD 3.71Å; Y397-M414 HydrophobicContact CG-SD 4.22Å; Y397-V429 HydrophobicContact CD2-CG1 4.45Å; Y397-S432 WeakPolarHBondContact OH-CB 3.4Å; Y397-S432 PolarHBondContact OH-O 3.25Å; Y397-L585 HydrophobicContact CD1-CD1 3.22Å; Y397-L585 HydrophobicContact CE1-CD1 3.36Å; Y397-L585 HydrophobicContact CG-CD1 4.11Å |
| 398 | I | 90.7 | Very high | 90.7 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 10% | 0.097 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -42.9 | 179.9 | -61.9 | 156.3 | 0 | 0 | 0 | 111.5 | S394 N395 K402 V589 | S394-I398 WeakPolarHBondContact O-CD1 3.32Å; S394-I398 WeakPolarHBondContact O-CG1 3.33Å; S394-I398 PolarHBondContact O-N 3.03Å; S394-I398 VanDerWaalsContact O-N 3.15Å; N395-I398 PolarHBondContact O-N 2.94Å; I398-K402 HydrophobicContact CG2-CD 4.36Å; I398-K402 WeakPolarHBondContact O-CG 3.48Å; I398-K402 PolarHBondContact O-N 3.46Å; I398-V589 HydrophobicContact CD1-CB 4.45Å; I398-V589 HydrophobicContact CD1-CG1 4.39Å; I398-V589 HydrophobicContact CD1-CG2 3.21Å; I398-V589 HydrophobicContact CG1-CG2 3.91Å |
| 399 | A | 91.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F362 I365 I370 N395 Y397 K402 F403 | F362-A399 HydrophobicContact CD1-CB 4.23Å; I365-A399 HydrophobicContact CD1-CB 3.87Å; I365-A399 HydrophobicContact CG2-CB 4.34Å; I370-A399 HydrophobicContact CD1-CB 4.5Å; N395-A399 WeakPolarHBondContact O-CB 3.24Å; N395-A399 PolarHBondContact O-N 3.37Å; Y397-A399 VanDerWaalsContact C-N 3.32Å; Y397-A399 PolarHBondContact O-N 3.3Å; A399-K402 PolarHBondContact O-N 3.47Å; A399-F403 WeakPolarHBondContact O-CD2 3.39Å; A399-F403 PolarHBondContact O-N 3.48Å |
| 400 | S | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.2 | -36.4 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 112 | M396 Y397 K402 S404 H410 M414 | M396-S400 VanDerWaalsContact O-CB 3.25Å; M396-S400 WeakPolarHBondContact O-CB 3.36Å; M396-S400 PolarHBondContact O-N 2.91Å; M396-S400 PolarHBondContact O-OG 3.22Å; Y397-S400 PolarHBondContact O-N 3.39Å; Y397-S400 VanDerWaalsContact O-N 3.11Å; S400-K402 VanDerWaalsContact C-N 3.32Å; S400-K402 PolarHBondContact O-N 3.22Å; S400-S404 WeakPolarHBondContact O-CA 3.26Å; S400-S404 WeakPolarHBondContact O-CB 3.37Å; S400-S404 PolarHBondContact O-N 2.84Å; S400-S404 PolarHBondContact O-OG 3.34Å; S400-H410 WeakPolarHBondContact CB-CD2 3.13Å; S400-M414 VanDerWaalsContact OG-CE 3.23Å; S400-M414 WeakPolarHBondContact OG-CE 3.11Å |
| 401 | E | 88.4 | Confident | 91.1 | Very high | 71 Ų | 71 | 39.7 Ų | 39.7 | 33% | 0.332 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 173.3 | -169.3 | -176 | 170.9 | 0 | 0 | 111.2 | Y397 | Y397-E401 HydrophobicContact CE1-CB 4.28Å; Y397-E401 WeakPolarHBondContact CE1-OE2 3.32Å; Y397-E401 WeakPolarHBondContact O-CB 3.1Å; Y397-E401 PolarHBondContact O-N 3.33Å |
| 402 | K | 89.3 | Confident | 91.2 | Very high | 123 Ų | 123 | 39.1 Ų | 39.1 | 54% | 0.535 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -77.9 | -39.4 | -178.5 | -71.3 | 178.9 | -178.9 | 176.7 | 0 | 114.4 | I398 A399 S400 | I398-K402 HydrophobicContact CG2-CD 4.36Å; I398-K402 WeakPolarHBondContact O-CG 3.48Å; I398-K402 PolarHBondContact O-N 3.46Å; A399-K402 PolarHBondContact O-N 3.47Å; S400-K402 VanDerWaalsContact C-N 3.32Å; S400-K402 PolarHBondContact O-N 3.22Å |
| 403 | F | 91.5 | Very high | 91.2 | Very high | 75 Ų | 75 | 39.4 Ų | 39.4 | 33% | 0.329 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -123.3 | 7.6 | -165.7 | -55.9 | -64.6 | 0 | 0 | 0 | 114.8 | I365 I370 A399 | I365-F403 HydrophobicContact CG2-CB 4.48Å; I365-F403 HydrophobicContact CG2-CD2 3.74Å; I365-F403 HydrophobicContact CG2-CE2 4.37Å; I365-F403 HydrophobicContact CG2-CG 4.39Å; I365-F403 WeakPolarHBondContact O-CE2 3.41Å; I370-F403 HydrophobicContact CB-CB 4.4Å; I370-F403 HydrophobicContact CG1-CB 4.46Å; A399-F403 WeakPolarHBondContact O-CD2 3.39Å; A399-F403 PolarHBondContact O-N 3.48Å |
| 404 | S | 88.3 | Confident | 91.3 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 22% | 0.217 | 19% | 0.189 | C | C | . | . | trans | -61.8 | 134.7 | 179.7 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | S400 | S400-S404 WeakPolarHBondContact O-CA 3.26Å; S400-S404 WeakPolarHBondContact O-CB 3.37Å; S400-S404 PolarHBondContact O-N 2.84Å; S400-S404 PolarHBondContact O-OG 3.34Å | ||
| 405 | P | 89 | Confident | 91.3 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 44% | 0.435 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -70.8 | -31 | 177.6 | -23.3 | 35.4 | 0 | 0 | 0 | 114 | I370 R371 | I370-P405 HydrophobicContact CG2-CG 4.26Å; R371-P405 HydrophobicContact CG-CG 4.47Å |
| 406 | N | 90.4 | Very high | 91.4 | Very high | 80 Ų | 80 | 43 Ų | 43 | 43% | 0.428 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -155.2 | 159.3 | 176.7 | 60.4 | 43.4 | 0 | 0 | 0 | 110 | R408 W409 H410 | N406-R408 VanDerWaalsContact C-N 3.33Å; N406-R408 PolarHBondContact O-N 2.91Å; N406-W409 PolarHBondContact O-N 3.38Å; N406-W409 WeakPolarHBondContact OD1-CA 3.48Å; N406-W409 WeakPolarHBondContact OD1-CB 3.12Å; N406-W409 PolarHBondContact OD1-N 3.01Å; N406-H410 PolarHBondContact O-N 3.18Å; N406-H410 VanDerWaalsContact O-N 3.15Å |
| 407 | R | 90.7 | Very high | 91.3 | Very high | 103 Ų | 103 | 43 Ų | 43 | 39% | 0.389 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64 | -34.3 | -177.7 | -66.5 | -69.9 | -172.8 | 146.6 | 2.6 | 112.7 | H410 F411 E439 I443 | R407-H410 WeakPolarHBondContact O-CB 3.4Å; R407-H410 PolarHBondContact O-N 2.92Å; R407-F411 PolarHBondContact O-N 2.98Å; R407-E439 IonicContact NH1-OE2 3.87Å; R407-E439 PolarHBondContact NH1-OE2 3.19Å; R407-E439 IonicContact NH2-OE2 3.95Å; R407-I443 HydrophobicContact CB-CG2 4.11Å |
| 408 | R | 92.3 | Very high | 91.3 | Very high | 99 Ų | 99 | 42.7 Ų | 42.7 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 176.2 | -175.9 | 171.7 | 177 | 116.5 | -5.7 | 112 | N406 H410 F411 D412 I443 H446 E485 | N406-R408 VanDerWaalsContact C-N 3.33Å; N406-R408 PolarHBondContact O-N 2.91Å; R408-H410 VanDerWaalsContact C-N 3.33Å; R408-H410 PolarHBondContact O-N 3.01Å; R408-F411 PolarHBondContact O-N 2.72Å; R408-D412 WeakPolarHBondContact O-CB 3.46Å; R408-D412 VanDerWaalsContact O-CG 3.25Å; R408-D412 PolarHBondContact O-N 3.47Å; R408-I443 HydrophobicContact CB-CG2 4.22Å; R408-H446 VanDerWaalsContact CZ-ND1 3.28Å; R408-H446 PolarHBondContact NH1-ND1 2.92Å; R408-H446 VanDerWaalsContact NH1-ND1 3.11Å; R408-H446 PolarHBondContact NH2-CE1 2.95Å; R408-H446 PolarHBondContact NH2-ND1 3.28Å; R408-H446 VanDerWaalsContact NH2-ND1 3.14Å; R408-E485 IonicContact CZ-OE1 2.68Å; R408-E485 IonicContact NH1-OE1 3.54Å; R408-E485 IonicContact NH2-OE1 3.7Å; R408-E485 PolarHBondContact NH2-OE1 2.81Å |
| 409 | W | 93.1 | Very high | 91.3 | Very high | 35 Ų | 35 | 45.3 Ų | 45.3 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -36.4 | 177.4 | -178.9 | 82.4 | 0 | 0 | 0 | 112.1 | I370 R371 T374 N406 T413 | I370-W409 HydrophobicContact CD1-CH2 3.94Å; I370-W409 HydrophobicContact CD1-CZ3 4.42Å; I370-W409 HydrophobicContact CG1-CH2 3.34Å; I370-W409 HydrophobicContact CG1-CZ2 4.18Å; I370-W409 HydrophobicContact CG1-CZ3 3.76Å; R371-W409 HydrophobicContact CG-CZ2 4.39Å; T374-W409 HydrophobicContact CG2-CH2 4.38Å; T374-W409 HydrophobicContact CG2-CZ2 4.16Å; N406-W409 PolarHBondContact O-N 3.38Å; N406-W409 WeakPolarHBondContact OD1-CA 3.48Å; N406-W409 WeakPolarHBondContact OD1-CB 3.12Å; N406-W409 PolarHBondContact OD1-N 3.01Å; W409-T413 VanDerWaalsContact CE2-OG1 3.31Å; W409-T413 HydrophobicContact CH2-CG2 4.25Å; W409-T413 HydrophobicContact CZ2-CG2 4.39Å; W409-T413 WeakPolarHBondContact CZ2-OG1 3.46Å; W409-T413 VanDerWaalsContact O-CB 3.25Å; W409-T413 WeakPolarHBondContact O-CB 3.13Å; W409-T413 PolarHBondContact O-N 2.96Å; W409-T413 PolarHBondContact O-OG1 3.33Å |
| 410 | H | 92.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.4 | -52.8 | 173.7 | -172.5 | -179.8 | 0 | 0 | 0 | 110.2 | S400 N406 R407 R408 T413 M414 L436 | S400-H410 WeakPolarHBondContact CB-CD2 3.13Å; N406-H410 PolarHBondContact O-N 3.18Å; N406-H410 VanDerWaalsContact O-N 3.15Å; R407-H410 WeakPolarHBondContact O-CB 3.4Å; R407-H410 PolarHBondContact O-N 2.92Å; R408-H410 VanDerWaalsContact C-N 3.33Å; R408-H410 PolarHBondContact O-N 3.01Å; H410-T413 PolarHBondContact O-N 3.36Å; H410-M414 WeakPolarHBondContact O-CG 3.27Å; H410-M414 PolarHBondContact O-N 3.38Å; H410-M414 VanDerWaalsContact O-N 3.08Å; H410-L436 HydrophobicContact CB-CD2 4.25Å |
| 411 | F | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.3 | -51.9 | 177.1 | 171.4 | -89.3 | 0 | 0 | 0 | 112.5 | R407 R408 T413 M414 L415 M433 L436 I437 I443 A447 Q450 L451 | R407-F411 PolarHBondContact O-N 2.98Å; R408-F411 PolarHBondContact O-N 2.72Å; F411-T413 PolarHBondContact O-N 3.38Å; F411-M414 PolarHBondContact O-N 3.05Å; F411-M414 VanDerWaalsContact O-N 3.16Å; F411-L415 HydrophobicContact CE1-CB 4.47Å; F411-L415 HydrophobicContact CE1-CD2 4.01Å; F411-L415 HydrophobicContact CZ-CD2 4.17Å; F411-L415 WeakPolarHBondContact O-CB 3.35Å; F411-L415 PolarHBondContact O-N 3.13Å; F411-M433 HydrophobicContact CD2-CE 3.2Å; F411-M433 HydrophobicContact CD2-SD 4.17Å; F411-M433 HydrophobicContact CE2-CE 3.26Å; F411-M433 HydrophobicContact CG-CE 4.05Å; F411-M433 HydrophobicContact CZ-CE 4.13Å; F411-L436 HydrophobicContact CB-CD2 4.34Å; F411-I437 HydrophobicContact CD2-CD1 4.29Å; F411-I437 HydrophobicContact CD2-CG1 3.99Å; F411-I437 HydrophobicContact CE2-CD1 3.9Å; F411-I437 HydrophobicContact CE2-CG1 4.07Å; F411-I443 HydrophobicContact CB-CD1 3.95Å; F411-I443 HydrophobicContact CD2-CD1 4.5Å; F411-I443 HydrophobicContact CG-CD1 4.39Å; F411-A447 HydrophobicContact CD1-CB 4.33Å; F411-A447 HydrophobicContact CD2-CB 3.77Å; F411-A447 HydrophobicContact CE1-CB 4.01Å; F411-A447 HydrophobicContact CE2-CB 3.37Å; F411-A447 HydrophobicContact CG-CB 4.26Å; F411-A447 HydrophobicContact CZ-CB 3.54Å; F411-A447 WeakPolarHBondContact CZ-O 3.21Å; F411-Q450 HydrophobicContact CE1-CB 4.05Å; F411-Q450 HydrophobicContact CZ-CB 4.4Å; F411-L451 HydrophobicContact CE2-CD1 4.16Å; F411-L451 HydrophobicContact CE2-CG 4.32Å; F411-L451 HydrophobicContact CZ-CD1 4.31Å; F411-L451 HydrophobicContact CZ-CG 4.03Å |
| 412 | D | 93.1 | Very high | 91.2 | Very high | 40 Ų | 40 | 44 Ų | 44 | 21% | 0.214 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.3 | -34.7 | -177.2 | -69.6 | -25.8 | 0 | 0 | 0 | 112 | R408 K416 H446 | R408-D412 WeakPolarHBondContact O-CB 3.46Å; R408-D412 VanDerWaalsContact O-CG 3.25Å; R408-D412 PolarHBondContact O-N 3.47Å; D412-K416 WeakPolarHBondContact O-CG 3.15Å; D412-K416 PolarHBondContact O-N 3.27Å; D412-H446 IonicContact OD1-CD2 3.42Å; D412-H446 IonicContact OD1-CE1 3.27Å; D412-H446 IonicContact OD1-NE2 2.73Å; D412-H446 PolarHBondContact OD1-NE2 3.21Å; D412-H446 IonicContact OD2-NE2 3.67Å |
| 413 | T | 92.7 | Very high | 91.2 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.3 | -47 | 177.2 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | T374 M396 W409 H410 F411 L415 K416 V417 | T374-T413 HydrophobicContact CG2-CG2 3.37Å; M396-T413 HydrophobicContact CG-CG2 4.47Å; W409-T413 VanDerWaalsContact CE2-OG1 3.31Å; W409-T413 HydrophobicContact CH2-CG2 4.25Å; W409-T413 HydrophobicContact CZ2-CG2 4.39Å; W409-T413 WeakPolarHBondContact CZ2-OG1 3.46Å; W409-T413 VanDerWaalsContact O-CB 3.25Å; W409-T413 WeakPolarHBondContact O-CB 3.13Å; W409-T413 PolarHBondContact O-N 2.96Å; W409-T413 PolarHBondContact O-OG1 3.33Å; H410-T413 PolarHBondContact O-N 3.36Å; F411-T413 PolarHBondContact O-N 3.38Å; T413-L415 VanDerWaalsContact C-N 3.32Å; T413-L415 PolarHBondContact O-N 2.73Å; T413-K416 PolarHBondContact O-N 2.72Å; T413-V417 WeakPolarHBondContact O-CG2 3.28Å; T413-V417 PolarHBondContact O-N 3.43Å |
| 414 | M | 92.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 177.1 | -69.2 | -51.2 | 95.3 | 0 | 0 | 111.9 | M396 Y397 S400 H410 F411 K416 V417 M418 M433 | M396-M414 HydrophobicContact CB-CE 4.31Å; M396-M414 HydrophobicContact CG-CE 3.61Å; Y397-M414 VanDerWaalsContact CA-SD 3.58Å; Y397-M414 HydrophobicContact CD2-CG 4.02Å; Y397-M414 HydrophobicContact CD2-SD 3.71Å; Y397-M414 HydrophobicContact CG-SD 4.22Å; S400-M414 VanDerWaalsContact OG-CE 3.23Å; S400-M414 WeakPolarHBondContact OG-CE 3.11Å; H410-M414 WeakPolarHBondContact O-CG 3.27Å; H410-M414 PolarHBondContact O-N 3.38Å; H410-M414 VanDerWaalsContact O-N 3.08Å; F411-M414 PolarHBondContact O-N 3.05Å; F411-M414 VanDerWaalsContact O-N 3.16Å; M414-K416 VanDerWaalsContact C-N 3.31Å; M414-K416 PolarHBondContact O-N 2.87Å; M414-V417 HydrophobicContact CE-CG2 4.26Å; M414-V417 WeakPolarHBondContact O-CB 2.87Å; M414-V417 PolarHBondContact O-N 2.95Å; M414-M418 WeakPolarHBondContact O-CG 2.9Å; M414-M418 PolarHBondContact O-N 3Å; M414-M433 HydrophobicContact CB-CE 3.87Å; M414-M433 HydrophobicContact CB-SD 3.62Å; M414-M433 HydrophobicContact CG-SD 4.23Å |
| 415 | L | 92.9 | Very high | 91.2 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 175.2 | -178.9 | 61 | 0 | 0 | 0 | 111.6 | F411 T413 M418 K419 M433 Q450 L451 A454 L465 | F411-L415 HydrophobicContact CE1-CB 4.47Å; F411-L415 HydrophobicContact CE1-CD2 4.01Å; F411-L415 HydrophobicContact CZ-CD2 4.17Å; F411-L415 WeakPolarHBondContact O-CB 3.35Å; F411-L415 PolarHBondContact O-N 3.13Å; T413-L415 VanDerWaalsContact C-N 3.32Å; T413-L415 PolarHBondContact O-N 2.73Å; L415-M418 PolarHBondContact O-N 3.23Å; L415-K419 WeakPolarHBondContact O-CG 3.32Å; L415-K419 PolarHBondContact O-N 2.83Å; L415-M433 HydrophobicContact CB-CE 4.47Å; L415-Q450 HydrophobicContact CD2-CB 3.69Å; L415-L451 HydrophobicContact CD1-CD2 3.85Å; L415-A454 HydrophobicContact CD1-CB 4.08Å; L415-L465 HydrophobicContact CD1-CD1 3.64Å |
| 416 | K | 91.9 | Very high | 91.2 | Very high | 125 Ų | 125 | 39.5 Ų | 39.5 | 54% | 0.543 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 174.5 | -73.1 | 172.5 | -175 | 178.6 | 0 | 112 | L378 D412 T413 M414 M418 K419 V420 | L378-K416 HydrophobicContact CD1-CB 4.43Å; D412-K416 WeakPolarHBondContact O-CG 3.15Å; D412-K416 PolarHBondContact O-N 3.27Å; T413-K416 PolarHBondContact O-N 2.72Å; M414-K416 VanDerWaalsContact C-N 3.31Å; M414-K416 PolarHBondContact O-N 2.87Å; K416-M418 VanDerWaalsContact C-N 3.31Å; K416-M418 PolarHBondContact O-N 3.27Å; K416-K419 PolarHBondContact O-N 3.26Å; K416-V420 WeakPolarHBondContact O-CG2 3.47Å; K416-V420 PolarHBondContact O-N 3.37Å |
| 417 | V | 92 | Very high | 91.1 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.9 | -46 | 175 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | L378 M396 T413 M414 K419 V420 A421 | L378-V417 HydrophobicContact CD2-CB 4.5Å; L378-V417 HydrophobicContact CD2-CG2 3.68Å; M396-V417 HydrophobicContact CB-CG2 4.3Å; M396-V417 HydrophobicContact CG-CG2 3.75Å; T413-V417 WeakPolarHBondContact O-CG2 3.28Å; T413-V417 PolarHBondContact O-N 3.43Å; M414-V417 HydrophobicContact CE-CG2 4.26Å; M414-V417 WeakPolarHBondContact O-CB 2.87Å; M414-V417 PolarHBondContact O-N 2.95Å; V417-K419 PolarHBondContact O-N 3.16Å; V417-V420 PolarHBondContact O-N 2.89Å; V417-A421 VanDerWaalsContact O-CB 3.24Å; V417-A421 WeakPolarHBondContact O-CB 3.35Å; V417-A421 PolarHBondContact O-N 2.86Å |
| 418 | M | 90.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -38.9 | 179.2 | -67.9 | -175.3 | 82.7 | 0 | 0 | 112.9 | M414 L415 K416 G422 V425 V430 M433 P464 L465 V468 | M414-M418 WeakPolarHBondContact O-CG 2.9Å; M414-M418 PolarHBondContact O-N 3Å; L415-M418 PolarHBondContact O-N 3.23Å; K416-M418 VanDerWaalsContact C-N 3.31Å; K416-M418 PolarHBondContact O-N 3.27Å; M418-G422 PolarHBondContact O-N 2.99Å; M418-V425 HydrophobicContact CG-CG2 4.44Å; M418-V430 HydrophobicContact CE-CG2 4.42Å; M418-M433 HydrophobicContact SD-CG 4.33Å; M418-P464 HydrophobicContact CE-CB 3.8Å; M418-P464 WeakPolarHBondContact CE-O 3.14Å; M418-L465 HydrophobicContact CB-CD1 4.43Å; M418-L465 HydrophobicContact CE-CB 4.38Å; M418-V468 HydrophobicContact CE-CB 4.44Å; M418-V468 HydrophobicContact CE-CG2 3.72Å; M418-V468 HydrophobicContact SD-CG2 4.25Å |
| 419 | K | 90.8 | Very high | 90.7 | Very high | 75 Ų | 75 | 33.7 Ų | 33.7 | 33% | 0.326 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 173.8 | -72.6 | -170.6 | -180 | -163.8 | 0 | 111.8 | L415 K416 V417 E457 L465 | L415-K419 WeakPolarHBondContact O-CG 3.32Å; L415-K419 PolarHBondContact O-N 2.83Å; K416-K419 PolarHBondContact O-N 3.26Å; V417-K419 PolarHBondContact O-N 3.16Å; K419-E457 IonicContact NZ-OE2 3.27Å; K419-E457 PolarHBondContact NZ-OE2 3.49Å; K419-L465 HydrophobicContact CG-CD2 4.44Å |
| 420 | V | 90.1 | Very high | 90.6 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 21% | 0.212 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -78.5 | -41.5 | -175.7 | 177 | 0 | 0 | 0 | 0 | 113 | V381 E382 K416 V417 | V381-V420 HydrophobicContact CB-CG1 4.22Å; V381-V420 HydrophobicContact CG1-CG1 3.84Å; E382-V420 HydrophobicContact CB-CG1 4.13Å; E382-V420 HydrophobicContact CG-CB 4.45Å; E382-V420 HydrophobicContact CG-CG1 3.43Å; E382-V420 VanDerWaalsContact CG-CG1 3.43Å; E382-V420 HydrophobicContact CG-CG2 4.08Å; K416-V420 WeakPolarHBondContact O-CG2 3.47Å; K416-V420 PolarHBondContact O-N 3.37Å; V417-V420 PolarHBondContact O-N 2.89Å |
| 421 | A | 88.8 | Confident | 90.4 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -77.8 | -24.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V381 K389 S393 V417 N423 N424 V425 | V381-A421 HydrophobicContact CG1-CB 4.43Å; K389-A421 HydrophobicContact CB-CB 4.38Å; S393-A421 WeakPolarHBondContact OG-CB 3.48Å; V417-A421 VanDerWaalsContact O-CB 3.24Å; V417-A421 WeakPolarHBondContact O-CB 3.35Å; V417-A421 PolarHBondContact O-N 2.86Å; A421-N423 PolarHBondContact O-N 2.8Å; A421-N424 WeakPolarHBondContact O-CB 3.03Å; A421-N424 PolarHBondContact O-N 3.29Å; A421-N424 VanDerWaalsContact O-N 3.13Å; A421-N424 PolarHBondContact O-OD1 3.11Å; A421-V425 HydrophobicContact CB-CG2 3.53Å |
| 422 | G | 88.4 | Confident | 90.2 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 12% | 0.124 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | 66.3 | -122.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M418 N424 S462 | M418-G422 PolarHBondContact O-N 2.99Å; G422-N424 VanDerWaalsContact C-N 3.3Å; G422-S462 PolarHBondContact O-OG 3.45Å |
| 423 | N | 89.7 | Confident | 90.1 | Very high | 93 Ų | 93 | 33.3 Ų | 33.3 | 50% | 0.497 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -81.5 | -5 | 177.6 | -68.4 | -32.4 | 0 | 0 | 0 | 113.7 | A421 V425 A461 S462 Q463 | A421-N423 PolarHBondContact O-N 2.8Å; N423-V425 VanDerWaalsContact C-N 3.28Å; N423-A461 PolarHBondContact ND2-O 3.25Å; N423-A461 PolarHBondContact OD1-O 3.4Å; N423-S462 WeakPolarHBondContact OD1-CA 3.36Å; N423-Q463 PolarHBondContact OD1-N 3.43Å |
| 424 | N | 89.6 | Confident | 90 | Very high | 65 Ų | 65 | 33.5 Ų | 33.5 | 35% | 0.348 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -86.3 | 2.1 | 179.1 | -62 | 106.9 | 0 | 0 | 0 | 113.3 | K389 A390 A421 G422 P426 | K389-N424 HydrophobicContact CB-CB 3.81Å; A390-N424 VanDerWaalsContact CA-O 3.31Å; A390-N424 WeakPolarHBondContact CA-O 3.38Å; A390-N424 WeakPolarHBondContact CB-O 3.43Å; A421-N424 WeakPolarHBondContact O-CB 3.03Å; A421-N424 PolarHBondContact O-N 3.29Å; A421-N424 VanDerWaalsContact O-N 3.13Å; A421-N424 PolarHBondContact O-OD1 3.11Å; G422-N424 VanDerWaalsContact C-N 3.3Å; N424-P426 WeakPolarHBondContact O-CD 2.84Å |
| 425 | V | 90 | Very high | 89.9 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -73.5 | 124.6 | 174.5 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | M418 A421 N423 V429 P464 | M418-V425 HydrophobicContact CG-CG2 4.44Å; A421-V425 HydrophobicContact CB-CG2 3.53Å; N423-V425 VanDerWaalsContact C-N 3.28Å; V425-V429 HydrophobicContact CG1-CB 3.68Å; V425-V429 HydrophobicContact CG1-CG1 3.86Å; V425-V429 HydrophobicContact CG1-CG2 4.24Å; V425-P464 HydrophobicContact CB-CB 4.07Å; V425-P464 HydrophobicContact CB-CG 4.05Å; V425-P464 HydrophobicContact CG1-CB 4.34Å |
| 426 | P | 89.3 | Confident | 89.8 | Confident | 40 Ų | 40 | 34 Ų | 34 | 26% | 0.26 | 18% | 0.183 | S | C | . | . | trans | -71.9 | 153.4 | 176.9 | 26.1 | -27 | 0 | 0 | 0 | 111.8 | N424 D428 V429 | N424-P426 WeakPolarHBondContact O-CD 2.84Å; P426-D428 VanDerWaalsContact C-OD1 3.25Å; P426-D428 WeakPolarHBondContact CB-OD1 3.33Å; P426-D428 WeakPolarHBondContact CG-OD1 3.45Å; P426-D428 PolarHBondContact O-N 3.3Å; P426-V429 HydrophobicContact CG-CG2 4.13Å; P426-V429 PolarHBondContact O-N 3.17Å; P426-V429 VanDerWaalsContact O-N 3.14Å | ||
| 427 | D | 87.4 | Confident | 89.8 | Confident | 111 Ų | 111 | 28 Ų | 28 | 59% | 0.594 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -65.7 | -22 | -172.6 | -63.9 | -26.7 | 0 | 0 | 0 | 113.1 | V429 V430 C431 | D427-V429 VanDerWaalsContact C-N 3.3Å; D427-V429 PolarHBondContact O-N 3.38Å; D427-V430 WeakPolarHBondContact O-CB 3.36Å; D427-V430 PolarHBondContact O-N 3.09Å; D427-V430 VanDerWaalsContact O-N 3.16Å; D427-C431 PolarHBondContact O-N 2.78Å |
| 428 | D | 86 | Confident | 89.7 | Confident | 47 Ų | 47 | 28.3 Ų | 28.3 | 25% | 0.251 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.9 | -39.2 | 172.7 | 63.7 | -29.9 | 0 | 0 | 0 | 112 | S394 P426 V430 S432 L585 | S394-D428 PolarHBondContact OG-OD2 2.68Å; P426-D428 VanDerWaalsContact C-OD1 3.25Å; P426-D428 WeakPolarHBondContact CB-OD1 3.33Å; P426-D428 WeakPolarHBondContact CG-OD1 3.45Å; P426-D428 PolarHBondContact O-N 3.3Å; D428-V430 VanDerWaalsContact C-N 3.34Å; D428-S432 WeakPolarHBondContact O-CB 3.47Å; D428-S432 PolarHBondContact O-N 3.06Å; D428-S432 VanDerWaalsContact O-N 3.14Å; D428-S432 PolarHBondContact O-OG 3.39Å; D428-L585 HydrophobicContact CB-CD2 3.87Å; D428-L585 WeakPolarHBondContact OD2-CD2 3.43Å |
| 429 | V | 90.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.7 | -34 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 111 | Y397 V425 P426 D427 S432 M433 | Y397-V429 HydrophobicContact CD2-CG1 4.45Å; V425-V429 HydrophobicContact CG1-CB 3.68Å; V425-V429 HydrophobicContact CG1-CG1 3.86Å; V425-V429 HydrophobicContact CG1-CG2 4.24Å; P426-V429 HydrophobicContact CG-CG2 4.13Å; P426-V429 PolarHBondContact O-N 3.17Å; P426-V429 VanDerWaalsContact O-N 3.14Å; D427-V429 VanDerWaalsContact C-N 3.3Å; D427-V429 PolarHBondContact O-N 3.38Å; V429-S432 PolarHBondContact O-N 2.87Å; V429-M433 VanDerWaalsContact O-CB 3.28Å; V429-M433 WeakPolarHBondContact O-CB 3.41Å; V429-M433 PolarHBondContact O-N 3.5Å |
| 430 | V | 90.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -51.4 | 176.5 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | M418 D427 D428 S432 M433 I434 P464 Q467 V468 | M418-V430 HydrophobicContact CE-CG2 4.42Å; D427-V430 WeakPolarHBondContact O-CB 3.36Å; D427-V430 PolarHBondContact O-N 3.09Å; D427-V430 VanDerWaalsContact O-N 3.16Å; D428-V430 VanDerWaalsContact C-N 3.34Å; V430-S432 PolarHBondContact O-N 2.88Å; V430-M433 PolarHBondContact O-N 3.01Å; V430-I434 HydrophobicContact CG1-CD1 4.18Å; V430-I434 WeakPolarHBondContact O-CG1 3.4Å; V430-I434 PolarHBondContact O-N 3.12Å; V430-I434 VanDerWaalsContact O-N 3.08Å; V430-P464 HydrophobicContact CG2-CB 3.58Å; V430-Q467 HydrophobicContact CG1-CB 4.13Å; V430-V468 HydrophobicContact CB-CG2 4.29Å; V430-V468 HydrophobicContact CG1-CG2 3.76Å; V430-V468 HydrophobicContact CG2-CG2 4.47Å |
| 431 | C | 89.1 | Confident | 89.4 | Confident | 67 Ų | 67 | 30.2 Ų | 30.2 | 45% | 0.453 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.7 | -40.9 | 177.7 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | D427 I434 Q435 | D427-C431 PolarHBondContact O-N 2.78Å; C431-I434 PolarHBondContact O-N 3.01Å; C431-Q435 PolarHBondContact O-N 2.93Å |
| 432 | S | 88.2 | Confident | 89.4 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -77 | -33.9 | -173.7 | -49.4 | 0 | 0 | 0 | 0 | 111.8 | Y397 D428 V429 V430 Q435 L436 L585 | Y397-S432 WeakPolarHBondContact OH-CB 3.4Å; Y397-S432 PolarHBondContact OH-O 3.25Å; D428-S432 WeakPolarHBondContact O-CB 3.47Å; D428-S432 PolarHBondContact O-N 3.06Å; D428-S432 VanDerWaalsContact O-N 3.14Å; D428-S432 PolarHBondContact O-OG 3.39Å; V429-S432 PolarHBondContact O-N 2.87Å; V430-S432 PolarHBondContact O-N 2.88Å; S432-Q435 WeakPolarHBondContact O-CB 3.49Å; S432-Q435 PolarHBondContact O-N 3.18Å; S432-L436 PolarHBondContact O-N 3.02Å; S432-L585 VanDerWaalsContact CB-CD1 3.47Å; S432-L585 WeakPolarHBondContact OG-CD1 3.46Å; S432-L585 WeakPolarHBondContact OG-CG 3.41Å |
| 433 | M | 90.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 170 | -172.2 | 61 | 163.8 | 0 | 0 | 112 | F411 M414 L415 M418 V429 V430 Q435 L436 I437 V468 | F411-M433 HydrophobicContact CD2-CE 3.2Å; F411-M433 HydrophobicContact CD2-SD 4.17Å; F411-M433 HydrophobicContact CE2-CE 3.26Å; F411-M433 HydrophobicContact CG-CE 4.05Å; F411-M433 HydrophobicContact CZ-CE 4.13Å; M414-M433 HydrophobicContact CB-CE 3.87Å; M414-M433 HydrophobicContact CB-SD 3.62Å; M414-M433 HydrophobicContact CG-SD 4.23Å; L415-M433 HydrophobicContact CB-CE 4.47Å; M418-M433 HydrophobicContact SD-CG 4.33Å; V429-M433 VanDerWaalsContact O-CB 3.28Å; V429-M433 WeakPolarHBondContact O-CB 3.41Å; V429-M433 PolarHBondContact O-N 3.5Å; V430-M433 PolarHBondContact O-N 3.01Å; M433-Q435 VanDerWaalsContact C-N 3.33Å; M433-Q435 PolarHBondContact O-N 3.33Å; M433-L436 PolarHBondContact O-N 3.31Å; M433-L436 HydrophobicContact SD-CD2 4.19Å; M433-I437 HydrophobicContact CG-CD1 4.34Å; M433-I437 WeakPolarHBondContact O-CG1 3.35Å; M433-I437 PolarHBondContact O-N 3.23Å; M433-I437 VanDerWaalsContact O-N 3.15Å; M433-V468 HydrophobicContact CB-CG1 4.4Å; M433-V468 HydrophobicContact CB-CG2 4.26Å; M433-V468 HydrophobicContact CG-CG1 3.76Å; M433-V468 HydrophobicContact CG-CG2 4.33Å |
| 434 | I | 92.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.046 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 173.2 | -74.7 | 170.8 | 0 | 0 | 0 | 110.7 | V430 C431 I437 S438 V468 W471 Y519 I580 | V430-I434 HydrophobicContact CG1-CD1 4.18Å; V430-I434 WeakPolarHBondContact O-CG1 3.4Å; V430-I434 PolarHBondContact O-N 3.12Å; V430-I434 VanDerWaalsContact O-N 3.08Å; C431-I434 PolarHBondContact O-N 3.01Å; I434-I437 PolarHBondContact O-N 3.41Å; I434-S438 WeakPolarHBondContact O-CB 3.08Å; I434-S438 PolarHBondContact O-N 3.48Å; I434-V468 HydrophobicContact CG1-CG1 4.42Å; I434-V468 HydrophobicContact CG1-CG2 4.38Å; I434-W471 HydrophobicContact CB-CD2 4.45Å; I434-W471 HydrophobicContact CB-CE3 4.22Å; I434-W471 HydrophobicContact CB-CZ3 4.4Å; I434-W471 HydrophobicContact CD1-CB 4.06Å; I434-W471 HydrophobicContact CD1-CD2 4.24Å; I434-W471 HydrophobicContact CD1-CG 4Å; I434-W471 HydrophobicContact CG1-CB 4.47Å; I434-W471 HydrophobicContact CG1-CD2 4.08Å; I434-W471 HydrophobicContact CG1-CE3 3.92Å; I434-W471 HydrophobicContact CG1-CG 4.32Å; I434-W471 HydrophobicContact CG2-CD2 3.65Å; I434-W471 HydrophobicContact CG2-CE3 3.67Å; I434-W471 HydrophobicContact CG2-CG 4.41Å; I434-W471 HydrophobicContact CG2-CH2 3.68Å; I434-W471 HydrophobicContact CG2-CZ2 3.62Å; I434-W471 HydrophobicContact CG2-CZ3 3.7Å; I434-Y519 HydrophobicContact CD1-CE1 4.33Å; I434-I580 HydrophobicContact CG2-CD1 4.04Å |
| 435 | Q | 89.2 | Confident | 89.5 | Confident | 18 Ų | 18 | 33 Ų | 33 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 175.9 | -175.1 | -173.4 | -20.1 | 0 | 0 | 111.5 | C431 S432 M433 I437 S438 E439 I580 | C431-Q435 PolarHBondContact O-N 2.93Å; S432-Q435 WeakPolarHBondContact O-CB 3.49Å; S432-Q435 PolarHBondContact O-N 3.18Å; M433-Q435 VanDerWaalsContact C-N 3.33Å; M433-Q435 PolarHBondContact O-N 3.33Å; Q435-I437 VanDerWaalsContact C-N 3.31Å; Q435-I437 PolarHBondContact O-N 3.23Å; Q435-S438 PolarHBondContact O-N 3.18Å; Q435-E439 HydrophobicContact CG-CG 4.27Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.3Å; Q435-E439 PolarHBondContact NE2-OE1 3.32Å; Q435-E439 WeakPolarHBondContact O-CB 3.3Å; Q435-E439 WeakPolarHBondContact O-CG 3.49Å; Q435-E439 PolarHBondContact O-N 3.28Å; Q435-I580 HydrophobicContact CG-CB 4.26Å; Q435-I580 HydrophobicContact CG-CG2 4.18Å |
| 436 | L | 90.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.7 | -43.9 | 178.1 | 175.9 | 62.8 | 0 | 0 | 0 | 112.3 | H410 F411 S432 M433 S440 I443 | H410-L436 HydrophobicContact CB-CD2 4.25Å; F411-L436 HydrophobicContact CB-CD2 4.34Å; S432-L436 PolarHBondContact O-N 3.02Å; M433-L436 PolarHBondContact O-N 3.31Å; M433-L436 HydrophobicContact SD-CD2 4.19Å; L436-S440 WeakPolarHBondContact O-CB 3.38Å; L436-S440 PolarHBondContact O-N 3.03Å; L436-S440 PolarHBondContact O-OG 3.37Å; L436-I443 HydrophobicContact CG-CD1 4.5Å |
| 437 | I | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.3 | -39.4 | 178.7 | -61.5 | 165 | 0 | 0 | 0 | 110.9 | F411 M433 I434 Q435 Q444 A447 L451 V468 W471 S472 F476 | F411-I437 HydrophobicContact CD2-CD1 4.29Å; F411-I437 HydrophobicContact CD2-CG1 3.99Å; F411-I437 HydrophobicContact CE2-CD1 3.9Å; F411-I437 HydrophobicContact CE2-CG1 4.07Å; M433-I437 HydrophobicContact CG-CD1 4.34Å; M433-I437 WeakPolarHBondContact O-CG1 3.35Å; M433-I437 PolarHBondContact O-N 3.23Å; M433-I437 VanDerWaalsContact O-N 3.15Å; I434-I437 PolarHBondContact O-N 3.41Å; Q435-I437 VanDerWaalsContact C-N 3.31Å; Q435-I437 PolarHBondContact O-N 3.23Å; I437-Q444 HydrophobicContact CG2-CG 4.28Å; I437-Q444 WeakPolarHBondContact O-CG 3.44Å; I437-Q444 PolarHBondContact O-NE2 2.85Å; I437-Q444 VanDerWaalsContact O-NE2 3.08Å; I437-A447 HydrophobicContact CG1-CB 4.33Å; I437-A447 HydrophobicContact CG2-CB 4.43Å; I437-L451 HydrophobicContact CD1-CD1 3.81Å; I437-V468 HydrophobicContact CD1-CG1 4Å; I437-W471 HydrophobicContact CG2-CZ3 4.46Å; I437-S472 WeakPolarHBondContact CD1-OG 3.21Å; I437-F476 HydrophobicContact CG2-CD2 4.33Å; I437-F476 HydrophobicContact CG2-CE2 3.94Å |
| 438 | S | 90.1 | Very high | 89.7 | Confident | 10 Ų | 10 | 25.9 Ų | 25.9 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 177.3 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | I434 Q435 S440 | I434-S438 WeakPolarHBondContact O-CB 3.08Å; I434-S438 PolarHBondContact O-N 3.48Å; Q435-S438 PolarHBondContact O-N 3.18Å; S438-S440 VanDerWaalsContact C-N 3.35Å; S438-S440 PolarHBondContact O-N 3.45Å |
| 439 | E | 88.9 | Confident | 89.9 | Confident | 67 Ų | 67 | 24.1 Ų | 24.1 | 31% | 0.313 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -70.4 | -26.4 | -178.9 | -75.5 | -179.8 | -176.9 | 0 | 0 | 114.2 | R407 Q435 P441 V579 | R407-E439 IonicContact NH1-OE2 3.87Å; R407-E439 PolarHBondContact NH1-OE2 3.19Å; R407-E439 IonicContact NH2-OE2 3.95Å; Q435-E439 HydrophobicContact CG-CG 4.27Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.3Å; Q435-E439 PolarHBondContact NE2-OE1 3.32Å; Q435-E439 WeakPolarHBondContact O-CB 3.3Å; Q435-E439 WeakPolarHBondContact O-CG 3.49Å; Q435-E439 PolarHBondContact O-N 3.28Å; E439-P441 WeakPolarHBondContact O-CD 3.39Å; E439-V579 HydrophobicContact CG-CG1 4.08Å |
| 440 | S | 88.7 | Confident | 89.9 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | trans | -116.6 | 82.6 | -164.9 | -48.4 | 0 | 0 | 0 | 0 | 111 | L436 S438 E442 I443 | L436-S440 WeakPolarHBondContact O-CB 3.38Å; L436-S440 PolarHBondContact O-N 3.03Å; L436-S440 PolarHBondContact O-OG 3.37Å; S438-S440 VanDerWaalsContact C-N 3.35Å; S438-S440 PolarHBondContact O-N 3.45Å; S440-E442 PolarHBondContact O-N 3.31Å; S440-I443 WeakPolarHBondContact O-CG1 3.37Å; S440-I443 PolarHBondContact O-N 3.41Å | ||
| 441 | P | 87.9 | Confident | 90 | Very high | 80 Ų | 80 | 26 Ų | 26 | 52% | 0.519 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -59 | -31 | -177.3 | 23.9 | -33.9 | 0 | 0 | 0 | 113.7 | E439 I443 Q444 | E439-P441 WeakPolarHBondContact O-CD 3.39Å; P441-I443 VanDerWaalsContact C-N 3.26Å; P441-I443 PolarHBondContact O-N 3.48Å; P441-Q444 PolarHBondContact O-N 3.37Å |
| 442 | E | 88.7 | Confident | 90.1 | Very high | 130 Ų | 130 | 24.1 Ų | 24.1 | 61% | 0.607 | 12% | 0.12 | S | C | * | . | G | 310 helix | trans | -65.6 | -23.6 | -178.5 | 68.2 | -80.3 | -172.5 | 0 | 0 | 114.3 | S440 | S440-E442 PolarHBondContact O-N 3.31Š|
| 443 | I | 90.3 | Very high | 90.1 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 4% | 0.036 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -98.4 | -9.5 | 178.3 | 63.1 | 167.5 | 0 | 0 | 0 | 112.9 | R407 R408 F411 L436 S440 P441 H445 H446 A447 | R407-I443 HydrophobicContact CB-CG2 4.11Å; R408-I443 HydrophobicContact CB-CG2 4.22Å; F411-I443 HydrophobicContact CB-CD1 3.95Å; F411-I443 HydrophobicContact CD2-CD1 4.5Å; F411-I443 HydrophobicContact CG-CD1 4.39Å; L436-I443 HydrophobicContact CG-CD1 4.5Å; S440-I443 WeakPolarHBondContact O-CG1 3.37Å; S440-I443 PolarHBondContact O-N 3.41Å; P441-I443 VanDerWaalsContact C-N 3.26Å; P441-I443 PolarHBondContact O-N 3.48Å; I443-H445 PolarHBondContact O-N 3.16Å; I443-H446 PolarHBondContact O-N 3.01Å; I443-H446 VanDerWaalsContact O-N 3.13Å; I443-A447 VanDerWaalsContact O-CB 3.24Å; I443-A447 WeakPolarHBondContact O-CB 3.43Å; I443-A447 PolarHBondContact O-N 2.89Å |
| 444 | Q | 90.2 | Very high | 90 | Very high | 17 Ų | 17 | 26.9 Ų | 26.9 | 8% | 0.079 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.1 | -44.3 | -169.4 | -74.5 | 170.8 | -4.2 | 0 | 0 | 112.7 | I437 P441 H446 A447 V448 F476 L479 | I437-Q444 HydrophobicContact CG2-CG 4.28Å; I437-Q444 WeakPolarHBondContact O-CG 3.44Å; I437-Q444 PolarHBondContact O-NE2 2.85Å; I437-Q444 VanDerWaalsContact O-NE2 3.08Å; P441-Q444 PolarHBondContact O-N 3.37Å; Q444-H446 PolarHBondContact O-N 3.24Å; Q444-A447 PolarHBondContact O-N 2.93Å; Q444-V448 WeakPolarHBondContact O-CB 3.44Å; Q444-V448 WeakPolarHBondContact O-CG2 3.45Å; Q444-V448 PolarHBondContact O-N 2.83Å; Q444-F476 VanDerWaalsContact CD-CZ 3.42Å; Q444-F476 HydrophobicContact CG-CD1 4.49Å; Q444-F476 HydrophobicContact CG-CD2 4.47Å; Q444-F476 HydrophobicContact CG-CE1 4.23Å; Q444-F476 HydrophobicContact CG-CE2 4.21Å; Q444-F476 HydrophobicContact CG-CZ 4.08Å; Q444-F476 VanDerWaalsContact NE2-CZ 3.25Å; Q444-L479 HydrophobicContact CB-CD1 3.92Å |
| 445 | H | 89 | Confident | 89.8 | Confident | 78 Ų | 78 | 26.5 Ų | 26.5 | 36% | 0.361 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -56 | -52.3 | 175.4 | -76.8 | -83.9 | 0 | 0 | 0 | 112.4 | I443 F449 L479 Y483 | I443-H445 PolarHBondContact O-N 3.16Å; H445-F449 WeakPolarHBondContact O-CB 3.33Å; H445-F449 PolarHBondContact O-N 2.81Å; H445-L479 PolarHBondContact ND1-O 2.77Å; H445-Y483 HydrophobicContact CB-CD2 3.89Å; H445-Y483 HydrophobicContact CB-CE2 3.82Å |
| 446 | H | 89 | Confident | 89.7 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 179.2 | 179.5 | 65.4 | 0 | 0 | 0 | 111.8 | R408 D412 I443 Q444 V448 F449 Q450 E485 | R408-H446 VanDerWaalsContact CZ-ND1 3.28Å; R408-H446 PolarHBondContact NH1-ND1 2.92Å; R408-H446 VanDerWaalsContact NH1-ND1 3.11Å; R408-H446 PolarHBondContact NH2-CE1 2.95Å; R408-H446 PolarHBondContact NH2-ND1 3.28Å; R408-H446 VanDerWaalsContact NH2-ND1 3.14Å; D412-H446 IonicContact OD1-CD2 3.42Å; D412-H446 IonicContact OD1-CE1 3.27Å; D412-H446 IonicContact OD1-NE2 2.73Å; D412-H446 PolarHBondContact OD1-NE2 3.21Å; D412-H446 IonicContact OD2-NE2 3.67Å; I443-H446 PolarHBondContact O-N 3.01Å; I443-H446 VanDerWaalsContact O-N 3.13Å; Q444-H446 PolarHBondContact O-N 3.24Å; H446-V448 PolarHBondContact O-N 3.17Å; H446-F449 PolarHBondContact O-N 3.38Å; H446-Q450 WeakPolarHBondContact CE1-CG 3.33Å; H446-Q450 WeakPolarHBondContact O-CB 3.47Å; H446-Q450 VanDerWaalsContact O-CG 3.25Å; H446-Q450 WeakPolarHBondContact O-CG 3.19Å; H446-Q450 PolarHBondContact O-N 2.85Å; H446-E485 IonicContact CE1-OE1 3.79Å; H446-E485 PolarHBondContact CE1-OE1 3.21Å; H446-E485 VanDerWaalsContact CE1-OE1 3.27Å; H446-E485 IonicContact ND1-OE1 3.29Å; H446-E485 PolarHBondContact ND1-OE1 3.07Å; H446-E485 VanDerWaalsContact ND1-OE1 3.07Å |
| 447 | A | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F411 I437 I443 Q444 Q450 L451 | F411-A447 HydrophobicContact CD1-CB 4.33Å; F411-A447 HydrophobicContact CD2-CB 3.77Å; F411-A447 HydrophobicContact CE1-CB 4.01Å; F411-A447 HydrophobicContact CE2-CB 3.37Å; F411-A447 HydrophobicContact CG-CB 4.26Å; F411-A447 HydrophobicContact CZ-CB 3.54Å; F411-A447 WeakPolarHBondContact CZ-O 3.21Å; I437-A447 HydrophobicContact CG1-CB 4.33Å; I437-A447 HydrophobicContact CG2-CB 4.43Å; I443-A447 VanDerWaalsContact O-CB 3.24Å; I443-A447 WeakPolarHBondContact O-CB 3.43Å; I443-A447 PolarHBondContact O-N 2.89Å; Q444-A447 PolarHBondContact O-N 2.93Å; A447-Q450 PolarHBondContact O-N 2.8Å; A447-L451 VanDerWaalsContact O-CB 3.28Å; A447-L451 WeakPolarHBondContact O-CB 3.48Å; A447-L451 WeakPolarHBondContact O-CD1 3.42Å; A447-L451 WeakPolarHBondContact O-CG 3.36Å; A447-L451 PolarHBondContact O-N 2.82Å |
| 448 | V | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.6 | -41.4 | -179.7 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | Q444 H446 L451 Y452 I473 F476 L480 | Q444-V448 WeakPolarHBondContact O-CB 3.44Å; Q444-V448 WeakPolarHBondContact O-CG2 3.45Å; Q444-V448 PolarHBondContact O-N 2.83Å; H446-V448 PolarHBondContact O-N 3.17Å; V448-L451 PolarHBondContact O-N 2.94Å; V448-Y452 VanDerWaalsContact O-CB 3.29Å; V448-Y452 WeakPolarHBondContact O-CB 3.32Å; V448-Y452 PolarHBondContact O-N 3.13Å; V448-I473 HydrophobicContact CG1-CG1 4.2Å; V448-F476 HydrophobicContact CG2-CB 3.57Å; V448-F476 HydrophobicContact CG2-CD2 4.2Å; V448-F476 HydrophobicContact CG2-CG 4.29Å; V448-L480 HydrophobicContact CG1-CB 4.21Å; V448-L480 HydrophobicContact CG1-CD1 4.25Å; V448-L480 HydrophobicContact CG1-CD2 4.44Å |
| 449 | F | 90.5 | Very high | 87.3 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 4% | 0.044 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 175.9 | -179.9 | -107 | 0 | 0 | 0 | 112.3 | H445 H446 Y452 Q453 L480 Y483 E485 I494 | H445-F449 WeakPolarHBondContact O-CB 3.33Å; H445-F449 PolarHBondContact O-N 2.81Å; H446-F449 PolarHBondContact O-N 3.38Å; F449-Y452 WeakPolarHBondContact O-CB 3.26Å; F449-Y452 PolarHBondContact O-N 2.82Å; F449-Q453 PolarHBondContact O-N 2.87Å; F449-L480 HydrophobicContact CB-CD1 4.11Å; F449-L480 HydrophobicContact CD2-CD1 4.1Å; F449-Y483 HydrophobicContact CB-CD1 3.94Å; F449-Y483 HydrophobicContact CB-CE1 4.17Å; F449-Y483 HydrophobicContact CD1-CD1 4.3Å; F449-Y483 HydrophobicContact CD1-CE1 4.17Å; F449-Y483 HydrophobicContact CD2-CD1 4.03Å; F449-Y483 AromaticContact CG-CD1 3.86Å; F449-Y483 HydrophobicContact CG-CD1 3.86Å; F449-Y483 HydrophobicContact CG-CE1 4.13Å; F449-E485 WeakPolarHBondContact CD1-OE2 3.37Å; F449-E485 HydrophobicContact CE1-CB 3.96Å; F449-E485 WeakPolarHBondContact CE1-OE2 3.49Å; F449-E485 HydrophobicContact CZ-CB 4.38Å; F449-I494 HydrophobicContact CD2-CD1 3.51Å; F449-I494 HydrophobicContact CE2-CD1 3.62Å; F449-I494 HydrophobicContact CE2-CG1 4.45Å |
| 450 | Q | 90 | Very high | 86.2 | Confident | 42 Ų | 42 | 40.6 Ų | 40.6 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.6 | -37.8 | 179 | -68.6 | -69.7 | -27 | 0 | 0 | 112.4 | F411 L415 H446 A447 A454 E485 | F411-Q450 HydrophobicContact CE1-CB 4.05Å; F411-Q450 HydrophobicContact CZ-CB 4.4Å; L415-Q450 HydrophobicContact CD2-CB 3.69Å; H446-Q450 WeakPolarHBondContact CE1-CG 3.33Å; H446-Q450 WeakPolarHBondContact O-CB 3.47Å; H446-Q450 VanDerWaalsContact O-CG 3.25Å; H446-Q450 WeakPolarHBondContact O-CG 3.19Å; H446-Q450 PolarHBondContact O-N 2.85Å; A447-Q450 PolarHBondContact O-N 2.8Å; Q450-A454 WeakPolarHBondContact O-CB 3.43Å; Q450-A454 PolarHBondContact O-N 3.07Å; Q450-E485 PolarHBondContact NE2-OE2 3.25Å; Q450-E485 VanDerWaalsContact NE2-OE2 3.15Å |
| 451 | L | 92 | Very high | 85.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | 173.7 | -77 | 166.7 | 0 | 0 | 0 | 112 | F411 L415 I437 A447 V448 A454 A455 L465 V468 A469 S472 | F411-L451 HydrophobicContact CE2-CD1 4.16Å; F411-L451 HydrophobicContact CE2-CG 4.32Å; F411-L451 HydrophobicContact CZ-CD1 4.31Å; F411-L451 HydrophobicContact CZ-CG 4.03Å; L415-L451 HydrophobicContact CD1-CD2 3.85Å; I437-L451 HydrophobicContact CD1-CD1 3.81Å; A447-L451 VanDerWaalsContact O-CB 3.28Å; A447-L451 WeakPolarHBondContact O-CB 3.48Å; A447-L451 WeakPolarHBondContact O-CD1 3.42Å; A447-L451 WeakPolarHBondContact O-CG 3.36Å; A447-L451 PolarHBondContact O-N 2.82Å; V448-L451 PolarHBondContact O-N 2.94Å; L451-A454 PolarHBondContact O-N 3.11Å; L451-A455 VanDerWaalsContact O-CB 3.25Å; L451-A455 WeakPolarHBondContact O-CB 3.37Å; L451-A455 PolarHBondContact O-N 3.46Å; L451-L465 HydrophobicContact CD2-CD1 3.93Å; L451-V468 HydrophobicContact CD1-CG1 4.01Å; L451-V468 HydrophobicContact CD2-CG1 4.06Å; L451-A469 HydrophobicContact CB-CB 4.14Å; L451-A469 HydrophobicContact CD2-CB 4.33Å; L451-S472 WeakPolarHBondContact CD1-OG 3.32Å |
| 452 | Y | 90.4 | Very high | 85.1 | Confident | 28 Ų | 28 | 39.4 Ų | 39.4 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -47.8 | 175.3 | 172.9 | -99.4 | 0 | 0 | 0 | 111.6 | V448 F449 A455 T456 I473 L480 I494 S498 V499 L502 | V448-Y452 VanDerWaalsContact O-CB 3.29Å; V448-Y452 WeakPolarHBondContact O-CB 3.32Å; V448-Y452 PolarHBondContact O-N 3.13Å; F449-Y452 WeakPolarHBondContact O-CB 3.26Å; F449-Y452 PolarHBondContact O-N 2.82Å; Y452-A455 PolarHBondContact O-N 3.18Å; Y452-T456 WeakPolarHBondContact O-CB 3.49Å; Y452-T456 PolarHBondContact O-N 3.41Å; Y452-T456 PolarHBondContact O-OG1 2.75Å; Y452-I473 HydrophobicContact CD2-CD1 4.23Å; Y452-L480 HydrophobicContact CD2-CD2 4.03Å; Y452-L480 HydrophobicContact CG-CD2 4Å; Y452-I494 HydrophobicContact CD1-CD1 3.56Å; Y452-I494 HydrophobicContact CD1-CG1 4.29Å; Y452-I494 HydrophobicContact CE1-CD1 3.75Å; Y452-I494 HydrophobicContact CE1-CG1 3.96Å; Y452-I494 HydrophobicContact CE1-CG2 3.96Å; Y452-I494 HydrophobicContact CG-CD1 4.4Å; Y452-S498 VanDerWaalsContact OH-CB 3.27Å; Y452-S498 WeakPolarHBondContact OH-CB 3.42Å; Y452-V499 HydrophobicContact CD2-CG2 4.5Å; Y452-V499 HydrophobicContact CE2-CG2 4.11Å; Y452-L502 HydrophobicContact CD2-CD2 3.49Å; Y452-L502 VanDerWaalsContact CD2-CD2 3.49Å; Y452-L502 HydrophobicContact CE2-CB 4.31Å; Y452-L502 HydrophobicContact CE2-CD2 3.56Å; Y452-L502 HydrophobicContact CG-CD2 4.49Å |
| 453 | Q | 88.5 | Confident | 85.1 | Confident | 60 Ų | 60 | 34.1 Ų | 34.1 | 28% | 0.28 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 174.4 | -68.4 | -171.9 | 18.7 | 0 | 0 | 111.4 | F449 A455 T456 E457 | F449-Q453 PolarHBondContact O-N 2.87Å; Q453-A455 VanDerWaalsContact C-N 3.33Å; Q453-A455 PolarHBondContact O-N 3.28Å; Q453-T456 PolarHBondContact O-N 3.41Å; Q453-T456 VanDerWaalsContact O-N 3.15Å; Q453-E457 WeakPolarHBondContact O-CG 3.49Å; Q453-E457 PolarHBondContact O-N 3.3Å |
| 454 | A | 88.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -40 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L415 Q450 L451 N458 L465 | L415-A454 HydrophobicContact CD1-CB 4.08Å; Q450-A454 WeakPolarHBondContact O-CB 3.43Å; Q450-A454 PolarHBondContact O-N 3.07Å; L451-A454 PolarHBondContact O-N 3.11Å; A454-N458 WeakPolarHBondContact O-CB 3.31Å; A454-N458 PolarHBondContact O-N 2.88Å; A454-N458 PolarHBondContact O-ND2 2.98Å; A454-N458 VanDerWaalsContact O-ND2 3.14Å; A454-L465 HydrophobicContact CB-CD1 4.3Å; A454-L465 HydrophobicContact CB-CD2 4.11Å |
| 455 | A | 88.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.8 | -34.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L451 Y452 Q453 M459 L466 A469 L502 | L451-A455 VanDerWaalsContact O-CB 3.25Å; L451-A455 WeakPolarHBondContact O-CB 3.37Å; L451-A455 PolarHBondContact O-N 3.46Å; Y452-A455 PolarHBondContact O-N 3.18Å; Q453-A455 VanDerWaalsContact C-N 3.33Å; Q453-A455 PolarHBondContact O-N 3.28Å; A455-M459 PolarHBondContact O-N 3.5Å; A455-L466 HydrophobicContact CB-CD2 4.01Å; A455-A469 HydrophobicContact CB-CB 3.92Å; A455-L502 HydrophobicContact CB-CD2 4.06Å |
| 456 | T | 86.8 | Confident | 85.5 | Confident | 75 Ų | 75 | 29.6 Ų | 29.6 | 46% | 0.46 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.8 | -42.3 | 175 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | Y452 Q453 | Y452-T456 WeakPolarHBondContact O-CB 3.49Å; Y452-T456 PolarHBondContact O-N 3.41Å; Y452-T456 PolarHBondContact O-OG1 2.75Å; Q453-T456 PolarHBondContact O-N 3.41Å; Q453-T456 VanDerWaalsContact O-N 3.15Å |
| 457 | E | 82.9 | Confident | 85.7 | Confident | 123 Ų | 123 | 30 Ų | 30 | 58% | 0.575 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -68.4 | -41.1 | 177.1 | -69.7 | 170.7 | 170.4 | 0 | 0 | 112.6 | K419 Q453 | K419-E457 IonicContact NZ-OE2 3.27Å; K419-E457 PolarHBondContact NZ-OE2 3.49Å; Q453-E457 WeakPolarHBondContact O-CG 3.49Å; Q453-E457 PolarHBondContact O-N 3.3Å |
| 458 | N | 72.7 | Confident | 85.8 | Confident | 44 Ų | 44 | 30 Ų | 30 | 24% | 0.235 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 36.4 | -166.2 | -62.6 | -70.9 | 0 | 0 | 0 | 113.8 | A454 A460 A461 L465 | A454-N458 WeakPolarHBondContact O-CB 3.31Å; A454-N458 PolarHBondContact O-N 2.88Å; A454-N458 PolarHBondContact O-ND2 2.98Å; A454-N458 VanDerWaalsContact O-ND2 3.14Å; N458-A460 PolarHBondContact O-N 3.48Å; N458-A461 HydrophobicContact CB-CB 4.42Å; N458-A461 PolarHBondContact O-N 3.12Å; N458-A461 VanDerWaalsContact O-N 3.15Å; N458-L465 HydrophobicContact CB-CD2 4.25Å |
| 459 | M | 67.4 | Low | 85.9 | Confident | 77 Ų | 77 | 30 Ų | 30 | 38% | 0.379 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.4 | -174.4 | -163.4 | 170.4 | 74.2 | 0 | 0 | 113.9 | A455 H511 | A455-M459 PolarHBondContact O-N 3.5Å; M459-H511 PolarHBondContact O-NE2 3.17Å |
| 460 | A | 66.1 | Low | 86 | Confident | 74 Ų | 74 | 29.5 Ų | 29.5 | 61% | 0.612 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -17.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | N458 | N458-A460 PolarHBondContact O-N 3.48Š|
| 461 | A | 68.1 | Low | 86.2 | Confident | 54 Ų | 54 | 29.2 Ų | 29.2 | 45% | 0.446 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -30.9 | -157.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N423 N458 | N423-A461 PolarHBondContact ND2-O 3.25Å; N423-A461 PolarHBondContact OD1-O 3.4Å; N458-A461 HydrophobicContact CB-CB 4.42Å; N458-A461 PolarHBondContact O-N 3.12Å; N458-A461 VanDerWaalsContact O-N 3.15Å |
| 462 | S | 84.1 | Confident | 86.2 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | trans | -137 | 105.4 | -174.8 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | G422 N423 L465 L466 | G422-S462 PolarHBondContact O-OG 3.45Å; N423-S462 WeakPolarHBondContact OD1-CA 3.36Å; S462-L465 PolarHBondContact O-N 2.86Å; S462-L465 WeakPolarHBondContact OG-CB 3.37Å; S462-L465 PolarHBondContact OG-N 3.36Å; S462-L466 WeakPolarHBondContact O-CG 3.5Å; S462-L466 PolarHBondContact O-N 2.83Å | ||
| 463 | Q | 89.4 | Confident | 86.3 | Confident | 19 Ų | 19 | 27.9 Ų | 27.9 | 9% | 0.089 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 175.4 | -60.5 | -65.3 | -48.4 | 0 | 0 | 112.7 | N423 L465 L466 Q467 H511 T513 T516 | N423-Q463 PolarHBondContact OD1-N 3.43Å; Q463-L465 VanDerWaalsContact C-N 3.3Å; Q463-L465 PolarHBondContact O-N 3.31Å; Q463-L466 PolarHBondContact O-N 3.33Å; Q463-L466 VanDerWaalsContact O-N 3.14Å; Q463-Q467 WeakPolarHBondContact O-CG 3.44Å; Q463-Q467 PolarHBondContact O-N 3.37Å; Q463-H511 PolarHBondContact NE2-O 2.94Å; Q463-T513 HydrophobicContact CB-CG2 4.31Å; Q463-T513 HydrophobicContact CG-CG2 3.86Å; Q463-T516 PolarHBondContact OE1-OG1 2.82Å; Q463-T516 VanDerWaalsContact OE1-OG1 3.08Å |
| 464 | P | 92.1 | Very high | 86.5 | Confident | 7 Ų | 7 | 25 Ų | 25 | 5% | 0.045 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.8 | -40.5 | 176.6 | -29.2 | 40.1 | 0 | 0 | 0 | 112.9 | M418 V425 V430 L466 Q467 V468 | M418-P464 HydrophobicContact CE-CB 3.8Å; M418-P464 WeakPolarHBondContact CE-O 3.14Å; V425-P464 HydrophobicContact CB-CB 4.07Å; V425-P464 HydrophobicContact CB-CG 4.05Å; V425-P464 HydrophobicContact CG1-CB 4.34Å; V430-P464 HydrophobicContact CG2-CB 3.58Å; P464-L466 PolarHBondContact O-N 3.02Å; P464-Q467 PolarHBondContact O-N 3.28Å; P464-V468 PolarHBondContact O-N 3.2Å; P464-V468 VanDerWaalsContact O-N 3.15Å |
| 465 | L | 92.7 | Very high | 86.6 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 176.8 | 178 | 65.9 | 0 | 0 | 0 | 111.6 | L415 M418 K419 L451 A454 N458 S462 Q463 Q467 V468 A469 | L415-L465 HydrophobicContact CD1-CD1 3.64Å; M418-L465 HydrophobicContact CB-CD1 4.43Å; M418-L465 HydrophobicContact CE-CB 4.38Å; K419-L465 HydrophobicContact CG-CD2 4.44Å; L451-L465 HydrophobicContact CD2-CD1 3.93Å; A454-L465 HydrophobicContact CB-CD1 4.3Å; A454-L465 HydrophobicContact CB-CD2 4.11Å; N458-L465 HydrophobicContact CB-CD2 4.25Å; S462-L465 PolarHBondContact O-N 2.86Å; S462-L465 WeakPolarHBondContact OG-CB 3.37Å; S462-L465 PolarHBondContact OG-N 3.36Å; Q463-L465 VanDerWaalsContact C-N 3.3Å; Q463-L465 PolarHBondContact O-N 3.31Å; L465-Q467 VanDerWaalsContact C-N 3.3Å; L465-Q467 PolarHBondContact O-N 3.29Å; L465-V468 PolarHBondContact O-N 3.45Å; L465-A469 VanDerWaalsContact O-CB 3.25Å; L465-A469 WeakPolarHBondContact O-CB 3.35Å; L465-A469 PolarHBondContact O-N 3.45Å |
| 466 | L | 92.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -33.2 | 178.1 | -65.6 | 176.8 | 0 | 0 | 0 | 112.4 | A455 S462 Q463 P464 S470 I506 T516 | A455-L466 HydrophobicContact CB-CD2 4.01Å; S462-L466 WeakPolarHBondContact O-CG 3.5Å; S462-L466 PolarHBondContact O-N 2.83Å; Q463-L466 PolarHBondContact O-N 3.33Å; Q463-L466 VanDerWaalsContact O-N 3.14Å; P464-L466 PolarHBondContact O-N 3.02Å; L466-S470 WeakPolarHBondContact O-CB 3.45Å; L466-S470 PolarHBondContact O-N 2.89Å; L466-S470 PolarHBondContact O-OG 3.45Å; L466-I506 HydrophobicContact CD2-CD1 3.87Å; L466-I506 HydrophobicContact CD2-CG1 4.17Å; L466-T516 HydrophobicContact CB-CG2 3.66Å; L466-T516 HydrophobicContact CD1-CG2 4.39Å |
| 467 | Q | 93 | Very high | 86.6 | Confident | 14 Ų | 14 | 22.1 Ų | 22.1 | 7% | 0.065 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.4 | -50.6 | 174.9 | -67.7 | 170.9 | -3.6 | 0 | 0 | 111.4 | V430 Q463 P464 L465 A469 S470 W471 T516 Y519 | V430-Q467 HydrophobicContact CG1-CB 4.13Å; Q463-Q467 WeakPolarHBondContact O-CG 3.44Å; Q463-Q467 PolarHBondContact O-N 3.37Å; P464-Q467 PolarHBondContact O-N 3.28Å; L465-Q467 VanDerWaalsContact C-N 3.3Å; L465-Q467 PolarHBondContact O-N 3.29Å; Q467-A469 VanDerWaalsContact C-N 3.35Å; Q467-A469 PolarHBondContact O-N 3.02Å; Q467-S470 PolarHBondContact O-N 3.43Å; Q467-W471 PolarHBondContact O-N 3.47Å; Q467-T516 HydrophobicContact CG-CG2 4.34Å; Q467-T516 WeakPolarHBondContact CG-OG1 3.42Å; Q467-T516 PolarHBondContact NE2-OG1 2.93Å; Q467-Y519 HydrophobicContact CB-CD2 3.98Å; Q467-Y519 HydrophobicContact CB-CE2 4.19Å; Q467-Y519 HydrophobicContact CB-CG 4.43Å; Q467-Y519 HydrophobicContact CG-CD2 3.85Å; Q467-Y519 HydrophobicContact CG-CE2 4.21Å |
| 468 | V | 93.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 176.6 | 179 | 0 | 0 | 0 | 0 | 111 | M418 V430 M433 I434 I437 L451 P464 L465 S472 | M418-V468 HydrophobicContact CE-CB 4.44Å; M418-V468 HydrophobicContact CE-CG2 3.72Å; M418-V468 HydrophobicContact SD-CG2 4.25Å; V430-V468 HydrophobicContact CB-CG2 4.29Å; V430-V468 HydrophobicContact CG1-CG2 3.76Å; V430-V468 HydrophobicContact CG2-CG2 4.47Å; M433-V468 HydrophobicContact CB-CG1 4.4Å; M433-V468 HydrophobicContact CB-CG2 4.26Å; M433-V468 HydrophobicContact CG-CG1 3.76Å; M433-V468 HydrophobicContact CG-CG2 4.33Å; I434-V468 HydrophobicContact CG1-CG1 4.42Å; I434-V468 HydrophobicContact CG1-CG2 4.38Å; I437-V468 HydrophobicContact CD1-CG1 4Å; L451-V468 HydrophobicContact CD1-CG1 4.01Å; L451-V468 HydrophobicContact CD2-CG1 4.06Å; P464-V468 PolarHBondContact O-N 3.2Å; P464-V468 VanDerWaalsContact O-N 3.15Å; L465-V468 PolarHBondContact O-N 3.45Å; V468-S472 WeakPolarHBondContact O-CB 3.49Å; V468-S472 PolarHBondContact O-N 3.43Å; V468-S472 PolarHBondContact O-OG 2.75Å |
| 469 | A | 93.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L451 A455 L465 Q467 W471 S472 I473 | L451-A469 HydrophobicContact CB-CB 4.14Å; L451-A469 HydrophobicContact CD2-CB 4.33Å; A455-A469 HydrophobicContact CB-CB 3.92Å; L465-A469 VanDerWaalsContact O-CB 3.25Å; L465-A469 WeakPolarHBondContact O-CB 3.35Å; L465-A469 PolarHBondContact O-N 3.45Å; Q467-A469 VanDerWaalsContact C-N 3.35Å; Q467-A469 PolarHBondContact O-N 3.02Å; A469-W471 PolarHBondContact O-N 3.31Å; A469-S472 PolarHBondContact O-N 2.88Å; A469-I473 WeakPolarHBondContact O-CB 3.45Å; A469-I473 WeakPolarHBondContact O-CD1 3.33Å; A469-I473 VanDerWaalsContact O-CG1 3.23Å; A469-I473 WeakPolarHBondContact O-CG1 3.44Å; A469-I473 PolarHBondContact O-N 2.84Å |
| 470 | S | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 179.1 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | L466 Q467 G474 A523 | L466-S470 WeakPolarHBondContact O-CB 3.45Å; L466-S470 PolarHBondContact O-N 2.89Å; L466-S470 PolarHBondContact O-OG 3.45Å; Q467-S470 PolarHBondContact O-N 3.43Å; S470-G474 PolarHBondContact O-N 3.18Å; S470-A523 WeakPolarHBondContact O-CB 3.31Å |
| 471 | W | 94.6 | Very high | 88.4 | Confident | 36 Ų | 36 | 14.4 Ų | 14.4 | 14% | 0.136 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 176.1 | -176.8 | 89.7 | 0 | 0 | 0 | 112 | I434 I437 Q467 A469 G474 E475 F476 Y519 | I434-W471 HydrophobicContact CB-CD2 4.45Å; I434-W471 HydrophobicContact CB-CE3 4.22Å; I434-W471 HydrophobicContact CB-CZ3 4.4Å; I434-W471 HydrophobicContact CD1-CB 4.06Å; I434-W471 HydrophobicContact CD1-CD2 4.24Å; I434-W471 HydrophobicContact CD1-CG 4Å; I434-W471 HydrophobicContact CG1-CB 4.47Å; I434-W471 HydrophobicContact CG1-CD2 4.08Å; I434-W471 HydrophobicContact CG1-CE3 3.92Å; I434-W471 HydrophobicContact CG1-CG 4.32Å; I434-W471 HydrophobicContact CG2-CD2 3.65Å; I434-W471 HydrophobicContact CG2-CE3 3.67Å; I434-W471 HydrophobicContact CG2-CG 4.41Å; I434-W471 HydrophobicContact CG2-CH2 3.68Å; I434-W471 HydrophobicContact CG2-CZ2 3.62Å; I434-W471 HydrophobicContact CG2-CZ3 3.7Å; I437-W471 HydrophobicContact CG2-CZ3 4.46Å; Q467-W471 PolarHBondContact O-N 3.47Å; A469-W471 PolarHBondContact O-N 3.31Å; W471-G474 PolarHBondContact O-N 3.13Å; W471-E475 HydrophobicContact CD2-CG 4.17Å; W471-E475 HydrophobicContact CE3-CG 4.48Å; W471-E475 HydrophobicContact CH2-CG 4.08Å; W471-E475 HydrophobicContact CZ2-CG 3.75Å; W471-E475 HydrophobicContact CZ3-CG 4.44Å; W471-E475 PolarHBondContact O-N 2.8Å; W471-F476 HydrophobicContact CH2-CE2 4.24Å; W471-F476 HydrophobicContact CZ3-CE2 4.05Å; W471-Y519 HydrophobicContact CB-CD1 3.99Å; W471-Y519 HydrophobicContact CB-CE1 4.2Å; W471-Y519 HydrophobicContact CG-CE1 4.5Å |
| 472 | S | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.3 | -42.4 | -176.3 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | I437 L451 V468 A469 G474 E475 F476 | I437-S472 WeakPolarHBondContact CD1-OG 3.21Å; L451-S472 WeakPolarHBondContact CD1-OG 3.32Å; V468-S472 WeakPolarHBondContact O-CB 3.49Å; V468-S472 PolarHBondContact O-N 3.43Å; V468-S472 PolarHBondContact O-OG 2.75Å; A469-S472 PolarHBondContact O-N 2.88Å; S472-G474 VanDerWaalsContact C-N 3.32Å; S472-E475 PolarHBondContact O-N 3.19Å; S472-F476 WeakPolarHBondContact O-CB 3.3Å; S472-F476 PolarHBondContact O-N 2.85Å |
| 473 | I | 92.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.2 | -37.5 | 174.6 | -67 | 166.1 | 0 | 0 | 0 | 110.3 | V448 Y452 A469 G477 V499 L502 I503 L527 | V448-I473 HydrophobicContact CG1-CG1 4.2Å; Y452-I473 HydrophobicContact CD2-CD1 4.23Å; A469-I473 WeakPolarHBondContact O-CB 3.45Å; A469-I473 WeakPolarHBondContact O-CD1 3.33Å; A469-I473 VanDerWaalsContact O-CG1 3.23Å; A469-I473 WeakPolarHBondContact O-CG1 3.44Å; A469-I473 PolarHBondContact O-N 2.84Å; I473-G477 WeakPolarHBondContact O-CA 3.38Å; I473-G477 PolarHBondContact O-N 2.84Å; I473-V499 HydrophobicContact CG2-CG1 3.47Å; I473-V499 VanDerWaalsContact CG2-CG1 3.47Å; I473-L502 HydrophobicContact CD1-CD2 4.31Å; I473-I503 HydrophobicContact CB-CD1 4.18Å; I473-I503 HydrophobicContact CD1-CD1 3.92Å; I473-I503 HydrophobicContact CG2-CD1 4.03Å; I473-I503 HydrophobicContact CG2-CG1 4.02Å; I473-L527 HydrophobicContact CG2-CD1 4.26Å; I473-L527 HydrophobicContact CG2-CD2 4.36Å; I473-L527 WeakPolarHBondContact O-CD2 3.41Å |
| 474 | G | 91.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S470 W471 S472 K526 R530 | S470-G474 PolarHBondContact O-N 3.18Å; W471-G474 PolarHBondContact O-N 3.13Å; S472-G474 VanDerWaalsContact C-N 3.32Å; G474-K526 VanDerWaalsContact O-CB 3.23Å; G474-K526 WeakPolarHBondContact O-CB 3.42Å; G474-R530 WeakPolarHBondContact O-CD 3.43Å; G474-R530 PolarHBondContact O-NE 3.05Å |
| 475 | E | 90.7 | Very high | 84.6 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -76.9 | -40.6 | -179.5 | -77.1 | -67.4 | 166.7 | 0 | 0 | 113.7 | W471 S472 K526 R530 R576 M577 | W471-E475 HydrophobicContact CD2-CG 4.17Å; W471-E475 HydrophobicContact CE3-CG 4.48Å; W471-E475 HydrophobicContact CH2-CG 4.08Å; W471-E475 HydrophobicContact CZ2-CG 3.75Å; W471-E475 HydrophobicContact CZ3-CG 4.44Å; W471-E475 PolarHBondContact O-N 2.8Å; S472-E475 PolarHBondContact O-N 3.19Å; E475-K526 IonicContact OE1-NZ 2.88Å; E475-K526 PolarHBondContact OE1-NZ 3.38Å; E475-R530 VanDerWaalsContact O-CZ 3.28Å; E475-R530 PolarHBondContact O-NE 2.89Å; E475-R530 PolarHBondContact O-NH2 2.8Å; E475-R530 IonicContact OE2-NH2 4Å; E475-R530 PolarHBondContact OE2-NH2 2.82Å; E475-R576 WeakPolarHBondContact OE2-CA 3.38Å; E475-M577 WeakPolarHBondContact OE1-CG 3.5Å; E475-M577 PolarHBondContact OE2-N 2.91Å |
| 476 | F | 90.4 | Very high | 82.6 | Confident | 11 Ų | 11 | 31.1 Ų | 31.1 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -125.8 | 22.6 | -166.2 | -55.9 | -65 | 0 | 0 | 0 | 113.1 | I437 Q444 V448 W471 S472 D478 L479 | I437-F476 HydrophobicContact CG2-CD2 4.33Å; I437-F476 HydrophobicContact CG2-CE2 3.94Å; Q444-F476 VanDerWaalsContact CD-CZ 3.42Å; Q444-F476 HydrophobicContact CG-CD1 4.49Å; Q444-F476 HydrophobicContact CG-CD2 4.47Å; Q444-F476 HydrophobicContact CG-CE1 4.23Å; Q444-F476 HydrophobicContact CG-CE2 4.21Å; Q444-F476 HydrophobicContact CG-CZ 4.08Å; Q444-F476 VanDerWaalsContact NE2-CZ 3.25Å; V448-F476 HydrophobicContact CG2-CB 3.57Å; V448-F476 HydrophobicContact CG2-CD2 4.2Å; V448-F476 HydrophobicContact CG2-CG 4.29Å; W471-F476 HydrophobicContact CH2-CE2 4.24Å; W471-F476 HydrophobicContact CZ3-CE2 4.05Å; S472-F476 WeakPolarHBondContact O-CB 3.3Å; S472-F476 PolarHBondContact O-N 2.85Å; F476-D478 WeakPolarHBondContact CA-OD1 3.31Å; F476-D478 PolarHBondContact O-N 2.85Å; F476-L479 HydrophobicContact CB-CD1 4.07Å; F476-L479 HydrophobicContact CB-CG 4.29Å; F476-L479 HydrophobicContact CD1-CD1 4.01Å; F476-L479 HydrophobicContact CG-CD1 4.36Å; F476-L479 WeakPolarHBondContact O-CB 3.42Å; F476-L479 PolarHBondContact O-N 2.89Å |
| 477 | G | 85.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -61.2 | -26.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I473 L479 L480 F531 | I473-G477 WeakPolarHBondContact O-CA 3.38Å; I473-G477 PolarHBondContact O-N 2.84Å; G477-L479 VanDerWaalsContact C-N 3.31Å; G477-L479 PolarHBondContact O-N 2.78Å; G477-L480 VanDerWaalsContact O-CB 3.32Å; G477-L480 WeakPolarHBondContact O-CB 3.35Å; G477-L480 PolarHBondContact O-N 2.9Å; G477-F531 WeakPolarHBondContact O-CE1 3.38Å; G477-F531 VanDerWaalsContact O-CZ 3.27Å; G477-F531 WeakPolarHBondContact O-CZ 3.33Å |
| 478 | D | 86.2 | Confident | 78.5 | Confident | 61 Ų | 61 | 40.9 Ų | 40.9 | 33% | 0.326 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -63 | -34.8 | 171.4 | 56.7 | -23.1 | 0 | 0 | 0 | 112.7 | F476 L480 I481 R530 R576 | F476-D478 WeakPolarHBondContact CA-OD1 3.31Å; F476-D478 PolarHBondContact O-N 2.85Å; D478-L480 PolarHBondContact O-N 2.81Å; D478-I481 PolarHBondContact O-N 3.31Å; D478-R530 HydrophobicContact CB-CB 4.37Å; D478-R530 HydrophobicContact CB-CG 4.45Å; D478-R576 VanDerWaalsContact CG-NH2 3.3Å; D478-R576 IonicContact OD1-NH2 3.82Å; D478-R576 PolarHBondContact OD1-NH2 2.69Å; D478-R576 VanDerWaalsContact OD1-NH2 3.14Å; D478-R576 IonicContact OD2-CZ 3.07Å; D478-R576 IonicContact OD2-NH2 2.76Å; D478-R576 PolarHBondContact OD2-NH2 2.95Å |
| 479 | L | 85 | Confident | 76.3 | Confident | 29 Ų | 29 | 44.7 Ų | 44.7 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -72.3 | -14.9 | 177.8 | -57.3 | -171.2 | 0 | 0 | 0 | 113.6 | Q444 H445 F476 G477 | Q444-L479 HydrophobicContact CB-CD1 3.92Å; H445-L479 PolarHBondContact ND1-O 2.77Å; F476-L479 HydrophobicContact CB-CD1 4.07Å; F476-L479 HydrophobicContact CB-CG 4.29Å; F476-L479 HydrophobicContact CD1-CD1 4.01Å; F476-L479 HydrophobicContact CG-CD1 4.36Å; F476-L479 WeakPolarHBondContact O-CB 3.42Å; F476-L479 PolarHBondContact O-N 2.89Å; G477-L479 VanDerWaalsContact C-N 3.31Å; G477-L479 PolarHBondContact O-N 2.78Å |
| 480 | L | 81.8 | Confident | 74 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -79 | -31.7 | 179.5 | -170.5 | 60.3 | 0 | 0 | 0 | 111.9 | V448 F449 Y452 G477 D478 G482 I494 V499 | V448-L480 HydrophobicContact CG1-CB 4.21Å; V448-L480 HydrophobicContact CG1-CD1 4.25Å; V448-L480 HydrophobicContact CG1-CD2 4.44Å; F449-L480 HydrophobicContact CB-CD1 4.11Å; F449-L480 HydrophobicContact CD2-CD1 4.1Å; Y452-L480 HydrophobicContact CD2-CD2 4.03Å; Y452-L480 HydrophobicContact CG-CD2 4Å; G477-L480 VanDerWaalsContact O-CB 3.32Å; G477-L480 WeakPolarHBondContact O-CB 3.35Å; G477-L480 PolarHBondContact O-N 2.9Å; D478-L480 PolarHBondContact O-N 2.81Å; L480-G482 PolarHBondContact O-N 2.83Å; L480-I494 HydrophobicContact CD1-CD1 3.5Å; L480-I494 VanDerWaalsContact CD1-CD1 3.5Å; L480-I494 HydrophobicContact CD2-CD1 4.39Å; L480-I494 HydrophobicContact CD2-CG2 4.1Å; L480-I494 HydrophobicContact CG-CD1 3.89Å; L480-I494 HydrophobicContact CG-CG2 4.15Å; L480-V499 HydrophobicContact CD2-CG1 4.3Å; L480-V499 HydrophobicContact CD2-CG2 3.55Å |
| 481 | I | 73 | Confident | 72 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 118 | -178.8 | -56.1 | 167.5 | 0 | 0 | 0 | 108.9 | D478 E496 F531 | D478-I481 PolarHBondContact O-N 3.31Å; I481-E496 HydrophobicContact CD1-CG 3.56Å; I481-E496 WeakPolarHBondContact CD1-OE1 3.33Å; I481-E496 HydrophobicContact CG1-CG 4.23Å; I481-F531 HydrophobicContact CD1-CD1 3.51Å; I481-F531 HydrophobicContact CD1-CE1 3.11Å; I481-F531 HydrophobicContact CD1-CZ 3.85Å; I481-F531 HydrophobicContact CG1-CE1 3.92Å; I481-F531 HydrophobicContact CG1-CZ 4.26Å |
| 482 | G | 66 | Low | 70.2 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 77% | 0.773 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | 3.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | L480 E484 | L480-G482 PolarHBondContact O-N 2.83Å; G482-E484 PolarHBondContact O-N 2.73Å |
| 483 | Y | 67.9 | Low | 68.7 | Low | 57 Ų | 57 | 67.8 Ų | 67.8 | 22% | 0.224 | 40% | 0.401 | C | S | . | . | trans | -78.9 | 114.4 | 170.5 | -169.5 | -107.9 | 0 | 0 | 0 | 110.4 | H445 F449 E485 | H445-Y483 HydrophobicContact CB-CD2 3.89Å; H445-Y483 HydrophobicContact CB-CE2 3.82Å; F449-Y483 HydrophobicContact CB-CD1 3.94Å; F449-Y483 HydrophobicContact CB-CE1 4.17Å; F449-Y483 HydrophobicContact CD1-CD1 4.3Å; F449-Y483 HydrophobicContact CD1-CE1 4.17Å; F449-Y483 HydrophobicContact CD2-CD1 4.03Å; F449-Y483 AromaticContact CG-CD1 3.86Å; F449-Y483 HydrophobicContact CG-CD1 3.86Å; F449-Y483 HydrophobicContact CG-CE1 4.13Å; Y483-E485 HydrophobicContact CD1-CB 4.49Å; Y483-E485 HydrophobicContact CE1-CB 3.83Å; Y483-E485 HydrophobicContact CE1-CG 4.14Å | ||
| 484 | E | 60.8 | Low | 67.8 | Low | 106 Ų | 106 | 68.9 Ų | 68.9 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | trans | -108.1 | 108.2 | 170.5 | -67.2 | -176.2 | 168.3 | 0 | 0 | 108 | G482 N486 K493 | G482-E484 PolarHBondContact O-N 2.73Å; E484-N486 PolarHBondContact O-N 2.97Å; E484-K493 WeakPolarHBondContact OE1-CE 3.37Å | ||
| 485 | E | 59.9 | Low | 67.2 | Low | 38 Ų | 38 | 73.9 Ų | 73.9 | 18% | 0.178 | 43% | 0.433 | C | S | . | . | trans | -79 | 116.2 | 172.9 | -155.9 | 169.3 | -163.8 | 0 | 0 | 108.6 | R408 H446 F449 Q450 Y483 D487 | R408-E485 IonicContact CZ-OE1 2.68Å; R408-E485 IonicContact NH1-OE1 3.54Å; R408-E485 IonicContact NH2-OE1 3.7Å; R408-E485 PolarHBondContact NH2-OE1 2.81Å; H446-E485 IonicContact CE1-OE1 3.79Å; H446-E485 PolarHBondContact CE1-OE1 3.21Å; H446-E485 VanDerWaalsContact CE1-OE1 3.27Å; H446-E485 IonicContact ND1-OE1 3.29Å; H446-E485 PolarHBondContact ND1-OE1 3.07Å; H446-E485 VanDerWaalsContact ND1-OE1 3.07Å; F449-E485 WeakPolarHBondContact CD1-OE2 3.37Å; F449-E485 HydrophobicContact CE1-CB 3.96Å; F449-E485 WeakPolarHBondContact CE1-OE2 3.49Å; F449-E485 HydrophobicContact CZ-CB 4.38Å; Q450-E485 PolarHBondContact NE2-OE2 3.25Å; Q450-E485 VanDerWaalsContact NE2-OE2 3.15Å; Y483-E485 HydrophobicContact CD1-CB 4.49Å; Y483-E485 HydrophobicContact CE1-CB 3.83Å; Y483-E485 HydrophobicContact CE1-CG 4.14Å; E485-D487 HydrophobicContact CG-CB 4.4Å; E485-D487 PolarHBondContact O-N 2.73Å | ||
| 486 | N | 51 | Low | 66.8 | Low | 158 Ų | 158 | 75.8 Ų | 75.8 | 85% | 0.845 | 44% | 0.442 | S | S | * | . | trans | -75.6 | 49.9 | -178.6 | -84.6 | -32.3 | 0 | 0 | 0 | 112.7 | E484 | E484-N486 PolarHBondContact O-N 2.97Š| ||
| 487 | D | 51.4 | Low | 66.5 | Low | 126 Ų | 126 | 81.2 Ų | 81.2 | 67% | 0.674 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -114.6 | 61.6 | -175.1 | -129 | 11.9 | 0 | 0 | 0 | 111.4 | E485 A489 | E485-D487 HydrophobicContact CG-CB 4.4Å; E485-D487 PolarHBondContact O-N 2.73Å; D487-A489 PolarHBondContact O-N 2.95Å |
| 488 | G | 46.9 | Very low | 66.5 | Low | 93 Ų | 93 | 83.3 Ų | 83.3 | 96% | 0.959 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 60.7 | -11.8 | 159 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 489 | A | 47.2 | Very low | 66.6 | Low | 80 Ų | 80 | 80.4 Ų | 80.4 | 66% | 0.661 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -105.1 | 148.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | D487 | D487-A489 PolarHBondContact O-N 2.95Š|
| 490 | M | 45.7 | Very low | 66.7 | Low | 176 Ų | 176 | 80.1 Ų | 80.1 | 87% | 0.867 | 46% | 0.462 | S | S | * | . | trans | -46.9 | 134.8 | -173.6 | -84.1 | -156.6 | 167.4 | 0 | 0 | 112.5 | T492 | M490-T492 PolarHBondContact O-N 3.23Š| ||
| 491 | P | 50.3 | Low | 67 | Low | 93 Ų | 93 | 84.2 Ų | 84.2 | 60% | 0.604 | 49% | 0.485 | S | S | * | . | trans | -63.1 | 105.8 | -178.4 | 25 | -32.7 | 0 | 0 | 0 | 109.8 | K493 | P491-K493 PolarHBondContact O-N 3.23Š| ||
| 492 | T | 56.2 | Low | 67.7 | Low | 94 Ų | 94 | 81.8 Ų | 81.8 | 58% | 0.577 | 47% | 0.472 | S | S | * | . | trans | -74.8 | 92.4 | 169.5 | 13.6 | 0 | 0 | 0 | 0 | 107.8 | M490 I494 | M490-T492 PolarHBondContact O-N 3.23Å; T492-I494 PolarHBondContact O-N 3.31Å; T492-I494 VanDerWaalsContact O-N 3.14Å | ||
| 493 | K | 62.6 | Low | 68.9 | Low | 158 Ų | 158 | 78.2 Ų | 78.2 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | trans | -62.2 | 115.6 | 165.6 | -72.6 | -171 | 177.1 | -174.2 | 0 | 108.1 | E484 P491 D495 | E484-K493 WeakPolarHBondContact OE1-CE 3.37Å; P491-K493 PolarHBondContact O-N 3.23Å; K493-D495 PolarHBondContact O-N 3.27Å | ||
| 494 | I | 72.5 | Confident | 69.9 | Low | 23 Ų | 23 | 77 Ų | 77 | 12% | 0.118 | 44% | 0.435 | C | S | . | . | trans | -85.4 | 113.3 | 178.2 | -61.5 | 172.8 | 0 | 0 | 0 | 107.8 | F449 Y452 L480 T492 V499 | F449-I494 HydrophobicContact CD2-CD1 3.51Å; F449-I494 HydrophobicContact CE2-CD1 3.62Å; F449-I494 HydrophobicContact CE2-CG1 4.45Å; Y452-I494 HydrophobicContact CD1-CD1 3.56Å; Y452-I494 HydrophobicContact CD1-CG1 4.29Å; Y452-I494 HydrophobicContact CE1-CD1 3.75Å; Y452-I494 HydrophobicContact CE1-CG1 3.96Å; Y452-I494 HydrophobicContact CE1-CG2 3.96Å; Y452-I494 HydrophobicContact CG-CD1 4.4Å; L480-I494 HydrophobicContact CD1-CD1 3.5Å; L480-I494 VanDerWaalsContact CD1-CD1 3.5Å; L480-I494 HydrophobicContact CD2-CD1 4.39Å; L480-I494 HydrophobicContact CD2-CG2 4.1Å; L480-I494 HydrophobicContact CG-CD1 3.89Å; L480-I494 HydrophobicContact CG-CG2 4.15Å; T492-I494 PolarHBondContact O-N 3.31Å; T492-I494 VanDerWaalsContact O-N 3.14Å; I494-V499 HydrophobicContact CG2-CG2 3.54Å | ||
| 495 | D | 79.4 | Confident | 71.2 | Confident | 104 Ų | 104 | 73.1 Ų | 73.1 | 56% | 0.556 | 42% | 0.424 | S | S | * | . | trans | -76.3 | 143 | 173.4 | -66.6 | -23.1 | 0 | 0 | 0 | 110.7 | K493 K497 S498 V499 | K493-D495 PolarHBondContact O-N 3.27Å; D495-K497 PolarHBondContact O-N 2.99Å; D495-K497 VanDerWaalsContact O-N 3.1Å; D495-S498 WeakPolarHBondContact O-CB 3.31Å; D495-S498 PolarHBondContact O-N 3.07Å; D495-V499 PolarHBondContact O-N 3Å | ||
| 496 | E | 83.2 | Confident | 72.6 | Confident | 43 Ų | 43 | 71.4 Ų | 71.4 | 20% | 0.201 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -50.4 | -38 | 174 | -52.6 | -168.3 | 160 | 0 | 0 | 111.5 | I481 S498 V499 F500 N533 F534 | I481-E496 HydrophobicContact CD1-CG 3.56Å; I481-E496 WeakPolarHBondContact CD1-OE1 3.33Å; I481-E496 HydrophobicContact CG1-CG 4.23Å; E496-S498 VanDerWaalsContact C-N 3.35Å; E496-S498 PolarHBondContact O-N 2.71Å; E496-V499 PolarHBondContact O-N 3.25Å; E496-F500 PolarHBondContact O-N 2.84Å; E496-N533 PolarHBondContact OE2-ND2 3.17Å; E496-F534 HydrophobicContact CB-CD2 3.8Å; E496-F534 HydrophobicContact CB-CE2 3.4Å; E496-F534 HydrophobicContact CB-CZ 4.2Å; E496-F534 HydrophobicContact CG-CE2 4.25Å; E496-F534 WeakPolarHBondContact OE2-CD2 3.41Å; E496-F534 WeakPolarHBondContact OE2-CE2 3.34Å |
| 497 | K | 84.3 | Confident | 74.4 | Confident | 124 Ų | 124 | 63.9 Ų | 63.9 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 177.8 | -171.8 | 172.9 | -177.6 | 174.1 | 0 | 113 | D495 V499 F500 N501 F534 | D495-K497 PolarHBondContact O-N 2.99Å; D495-K497 VanDerWaalsContact O-N 3.1Å; K497-V499 VanDerWaalsContact C-N 3.34Å; K497-F500 PolarHBondContact O-N 3.48Å; K497-N501 WeakPolarHBondContact O-CB 3.45Å; K497-N501 PolarHBondContact O-N 3.41Å; K497-N501 PolarHBondContact O-ND2 3.39Å; K497-F534 HydrophobicContact CB-CE1 3.97Å; K497-F534 HydrophobicContact CB-CZ 3.84Å; K497-F534 HydrophobicContact CG-CE1 4.22Å |
| 498 | S | 85.8 | Confident | 76.1 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 32% | 0.315 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.4 | -34.6 | -179.6 | -60 | 0 | 0 | 0 | 0 | 111.2 | Y452 D495 E496 L502 | Y452-S498 VanDerWaalsContact OH-CB 3.27Å; Y452-S498 WeakPolarHBondContact OH-CB 3.42Å; D495-S498 WeakPolarHBondContact O-CB 3.31Å; D495-S498 PolarHBondContact O-N 3.07Å; E496-S498 VanDerWaalsContact C-N 3.35Å; E496-S498 PolarHBondContact O-N 2.71Å; S498-L502 PolarHBondContact O-N 3.02Å; S498-L502 VanDerWaalsContact O-N 3.16Å |
| 499 | V | 87.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.4 | -47.1 | 173.4 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | Y452 I473 L480 I494 D495 E496 K497 N501 L502 I503 L527 F531 | Y452-V499 HydrophobicContact CD2-CG2 4.5Å; Y452-V499 HydrophobicContact CE2-CG2 4.11Å; I473-V499 HydrophobicContact CG2-CG1 3.47Å; I473-V499 VanDerWaalsContact CG2-CG1 3.47Å; L480-V499 HydrophobicContact CD2-CG1 4.3Å; L480-V499 HydrophobicContact CD2-CG2 3.55Å; I494-V499 HydrophobicContact CG2-CG2 3.54Å; D495-V499 PolarHBondContact O-N 3Å; E496-V499 PolarHBondContact O-N 3.25Å; K497-V499 VanDerWaalsContact C-N 3.34Å; V499-N501 PolarHBondContact O-N 2.62Å; V499-L502 PolarHBondContact O-N 3.23Å; V499-I503 PolarHBondContact O-N 3.27Å; V499-I503 VanDerWaalsContact O-N 3.17Å; V499-L527 HydrophobicContact CG1-CD1 4.32Å; V499-F531 HydrophobicContact CB-CE2 4.14Å; V499-F531 HydrophobicContact CG1-CE2 4Å; V499-F531 HydrophobicContact CG1-CZ 4.44Å |
| 500 | F | 88 | Confident | 79.7 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 10% | 0.096 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.6 | -48.5 | 175.7 | 170.3 | -104 | 0 | 0 | 0 | 112.2 | E496 K497 L502 I503 S504 L524 E537 I538 A541 | E496-F500 PolarHBondContact O-N 2.84Å; K497-F500 PolarHBondContact O-N 3.48Å; F500-L502 VanDerWaalsContact C-N 3.29Å; F500-L502 PolarHBondContact O-N 3.41Å; F500-I503 PolarHBondContact O-N 3.1Å; F500-S504 WeakPolarHBondContact O-CB 3.48Å; F500-S504 PolarHBondContact O-N 2.69Å; F500-L524 HydrophobicContact CD2-CD2 4.17Å; F500-L524 HydrophobicContact CE2-CD2 4.23Å; F500-E537 HydrophobicContact CE1-CB 3.95Å; F500-E537 HydrophobicContact CE2-CB 4.2Å; F500-E537 HydrophobicContact CZ-CB 3.67Å; F500-E537 WeakPolarHBondContact CZ-O 3.49Å; F500-I538 HydrophobicContact CD2-CG1 3.66Å; F500-I538 HydrophobicContact CE2-CB 4.41Å; F500-I538 HydrophobicContact CE2-CG1 3.72Å; F500-A541 HydrophobicContact CE2-CB 4.22Å; F500-A541 HydrophobicContact CZ-CB 4.26Å |
| 501 | N | 88.1 | Confident | 81.5 | Confident | 88 Ų | 88 | 54.8 Ų | 54.8 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -37.2 | 179.6 | -74.8 | -20.2 | 0 | 0 | 0 | 112.5 | K497 V499 G505 | K497-N501 WeakPolarHBondContact O-CB 3.45Å; K497-N501 PolarHBondContact O-N 3.41Å; K497-N501 PolarHBondContact O-ND2 3.39Å; V499-N501 PolarHBondContact O-N 2.62Å; N501-G505 WeakPolarHBondContact O-CA 3.26Å; N501-G505 PolarHBondContact O-N 3.15Å |
| 502 | L | 88.1 | Confident | 83.2 | Confident | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.1 | -54.7 | 177.7 | 179.8 | 67.3 | 0 | 0 | 0 | 111.4 | Y452 A455 I473 S498 V499 F500 G505 I506 | Y452-L502 HydrophobicContact CD2-CD2 3.49Å; Y452-L502 VanDerWaalsContact CD2-CD2 3.49Å; Y452-L502 HydrophobicContact CE2-CB 4.31Å; Y452-L502 HydrophobicContact CE2-CD2 3.56Å; Y452-L502 HydrophobicContact CG-CD2 4.49Å; A455-L502 HydrophobicContact CB-CD2 4.06Å; I473-L502 HydrophobicContact CD1-CD2 4.31Å; S498-L502 PolarHBondContact O-N 3.02Å; S498-L502 VanDerWaalsContact O-N 3.16Å; V499-L502 PolarHBondContact O-N 3.23Å; F500-L502 VanDerWaalsContact C-N 3.29Å; F500-L502 PolarHBondContact O-N 3.41Å; L502-G505 WeakPolarHBondContact O-CA 3.29Å; L502-G505 PolarHBondContact O-N 2.98Å; L502-I506 HydrophobicContact CD1-CD1 4.39Å; L502-I506 HydrophobicContact CG-CD1 4.15Å; L502-I506 WeakPolarHBondContact O-CG1 3.23Å; L502-I506 PolarHBondContact O-N 2.67Å |
| 503 | I | 90.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.1 | -41.8 | -177.5 | -57.6 | -60.1 | 0 | 0 | 0 | 111.2 | I473 V499 F500 G505 I506 A507 A520 A523 L524 L527 | I473-I503 HydrophobicContact CB-CD1 4.18Å; I473-I503 HydrophobicContact CD1-CD1 3.92Å; I473-I503 HydrophobicContact CG2-CD1 4.03Å; I473-I503 HydrophobicContact CG2-CG1 4.02Å; V499-I503 PolarHBondContact O-N 3.27Å; V499-I503 VanDerWaalsContact O-N 3.17Å; F500-I503 PolarHBondContact O-N 3.1Å; I503-G505 VanDerWaalsContact C-N 3.29Å; I503-G505 PolarHBondContact O-N 3.43Å; I503-I506 HydrophobicContact CD1-CD1 4.26Å; I503-I506 PolarHBondContact O-N 3.3Å; I503-A507 PolarHBondContact O-N 3.27Å; I503-A520 HydrophobicContact CG2-CB 4.12Å; I503-A520 WeakPolarHBondContact CG2-O 3.28Å; I503-A523 HydrophobicContact CG2-CB 4.13Å; I503-L524 HydrophobicContact CB-CD2 4.09Å; I503-L524 HydrophobicContact CG2-CD1 4.49Å; I503-L524 HydrophobicContact CG2-CD2 3.77Å; I503-L524 HydrophobicContact CG2-CG 3.67Å; I503-L527 HydrophobicContact CG1-CD1 4.23Å |
| 504 | S | 89 | Confident | 86.2 | Confident | 31 Ų | 31 | 44.8 Ų | 44.8 | 22% | 0.217 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 174 | -174 | 0 | 0 | 0 | 0 | 111.3 | F500 A507 A508 | F500-S504 WeakPolarHBondContact O-CB 3.48Å; F500-S504 PolarHBondContact O-N 2.69Å; S504-A507 PolarHBondContact O-N 3.48Å; S504-A508 WeakPolarHBondContact O-CB 3.48Å; S504-A508 PolarHBondContact O-N 3.43Å |
| 505 | G | 88.1 | Confident | 87.2 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 26% | 0.258 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N501 L502 I503 A507 A508 A509 | N501-G505 WeakPolarHBondContact O-CA 3.26Å; N501-G505 PolarHBondContact O-N 3.15Å; L502-G505 WeakPolarHBondContact O-CA 3.29Å; L502-G505 PolarHBondContact O-N 2.98Å; I503-G505 VanDerWaalsContact C-N 3.29Å; I503-G505 PolarHBondContact O-N 3.43Å; G505-A507 PolarHBondContact O-N 3.35Å; G505-A508 PolarHBondContact O-N 3.37Å; G505-A509 VanDerWaalsContact O-CB 3.27Å; G505-A509 WeakPolarHBondContact O-CB 3.23Å; G505-A509 PolarHBondContact O-N 3.31Å |
| 506 | I | 88.9 | Confident | 87.8 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -42 | 176.6 | -67.3 | 164 | 0 | 0 | 0 | 111.1 | L466 L502 I503 S512 T516 A520 | L466-I506 HydrophobicContact CD2-CD1 3.87Å; L466-I506 HydrophobicContact CD2-CG1 4.17Å; L502-I506 HydrophobicContact CD1-CD1 4.39Å; L502-I506 HydrophobicContact CG-CD1 4.15Å; L502-I506 WeakPolarHBondContact O-CG1 3.23Å; L502-I506 PolarHBondContact O-N 2.67Å; I503-I506 HydrophobicContact CD1-CD1 4.26Å; I503-I506 PolarHBondContact O-N 3.3Å; I506-S512 WeakPolarHBondContact O-CB 3.24Å; I506-S512 PolarHBondContact O-OG 3.08Å; I506-T516 HydrophobicContact CG2-CG2 3.79Å; I506-A520 HydrophobicContact CB-CB 4.48Å; I506-A520 HydrophobicContact CG2-CB 4.07Å |
| 507 | A | 88.5 | Confident | 88.3 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | I503 S504 G505 K517 A520 L524 F545 | I503-A507 PolarHBondContact O-N 3.27Å; S504-A507 PolarHBondContact O-N 3.48Å; G505-A507 PolarHBondContact O-N 3.35Å; A507-K517 WeakPolarHBondContact O-CE 3.43Å; A507-A520 HydrophobicContact CB-CB 3.98Å; A507-L524 HydrophobicContact CB-CD1 4.49Å; A507-F545 HydrophobicContact CB-CE2 4.06Å; A507-F545 HydrophobicContact CB-CZ 3.88Å; A507-F545 VanDerWaalsContact O-CZ 3.31Å; A507-F545 WeakPolarHBondContact O-CZ 3.46Å |
| 508 | A | 87.3 | Confident | 88.7 | Confident | 73 Ų | 73 | 37 Ų | 37 | 60% | 0.603 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -77.9 | -23.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S504 G505 | S504-A508 WeakPolarHBondContact O-CB 3.48Å; S504-A508 PolarHBondContact O-N 3.43Å; G505-A508 PolarHBondContact O-N 3.37Å |
| 509 | A | 86.3 | Confident | 89.1 | Confident | 13 Ų | 13 | 38 Ų | 38 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | trans | -58.2 | 137.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G505 H511 S512 K517 | G505-A509 VanDerWaalsContact O-CB 3.27Å; G505-A509 WeakPolarHBondContact O-CB 3.23Å; G505-A509 PolarHBondContact O-N 3.31Å; A509-H511 VanDerWaalsContact CB-CE1 3.47Å; A509-H511 WeakPolarHBondContact CB-CE1 3.46Å; A509-S512 WeakPolarHBondContact CB-OG 3.29Å; A509-K517 WeakPolarHBondContact O-CE 3.45Å; A509-K517 PolarHBondContact O-NZ 3Å | ||
| 510 | S | 83.8 | Confident | 89.4 | Confident | 119 Ų | 119 | 38 Ų | 38 | 83% | 0.832 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -75.7 | -26.9 | -179.4 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 511 | H | 83.8 | Confident | 89.6 | Confident | 79 Ų | 79 | 37 Ų | 37 | 37% | 0.366 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -85.7 | -10.5 | -179.8 | 60.9 | -83.1 | 0 | 0 | 0 | 113.8 | M459 Q463 A509 | M459-H511 PolarHBondContact O-NE2 3.17Å; Q463-H511 PolarHBondContact NE2-O 2.94Å; A509-H511 VanDerWaalsContact CB-CE1 3.47Å; A509-H511 WeakPolarHBondContact CB-CE1 3.46Å |
| 512 | S | 86.5 | Confident | 89.9 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -68.6 | 133 | 174.8 | -61.4 | 0 | 0 | 0 | 0 | 111 | I506 A509 K517 | I506-S512 WeakPolarHBondContact O-CB 3.24Å; I506-S512 PolarHBondContact O-OG 3.08Å; A509-S512 WeakPolarHBondContact CB-OG 3.29Å; S512-K517 WeakPolarHBondContact O-CE 3.37Å |
| 513 | T | 89.7 | Confident | 90.2 | Very high | 60 Ų | 60 | 33.9 Ų | 33.9 | 37% | 0.368 | 21% | 0.21 | S | C | . | . | trans | -65.5 | 160.1 | 173.9 | 67 | 0 | 0 | 0 | 0 | 110.8 | Q463 V515 T516 K517 | Q463-T513 HydrophobicContact CB-CG2 4.31Å; Q463-T513 HydrophobicContact CG-CG2 3.86Å; T513-V515 VanDerWaalsContact C-N 3.26Å; T513-V515 PolarHBondContact O-N 3.2Å; T513-T516 PolarHBondContact O-N 2.69Å; T513-T516 VanDerWaalsContact O-N 3.16Å; T513-T516 PolarHBondContact OG1-N 3.14Å; T513-T516 PolarHBondContact OG1-OG1 3.12Å; T513-K517 WeakPolarHBondContact O-CG 3.37Å; T513-K517 PolarHBondContact O-N 2.92Å | ||
| 514 | V | 92 | Very high | 90.3 | Very high | 65 Ų | 65 | 33.9 Ų | 33.9 | 39% | 0.394 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.1 | -44.4 | 177.8 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | T516 K517 E518 N550 L553 | V514-T516 PolarHBondContact O-N 2.92Å; V514-K517 WeakPolarHBondContact O-CB 3.34Å; V514-K517 PolarHBondContact O-N 2.93Å; V514-K517 VanDerWaalsContact O-N 3.15Å; V514-E518 WeakPolarHBondContact CG1-OE1 3.36Å; V514-E518 WeakPolarHBondContact O-CG 3.45Å; V514-E518 PolarHBondContact O-N 3.15Å; V514-N550 WeakPolarHBondContact CG1-ND2 3.3Å; V514-L553 HydrophobicContact CG1-CD1 4.29Å; V514-L553 HydrophobicContact CG1-CG 4.33Å |
| 515 | V | 92.8 | Very high | 90.3 | Very high | 65 Ų | 65 | 32.5 Ų | 32.5 | 39% | 0.394 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | T513 K517 E518 Y519 | T513-V515 VanDerWaalsContact C-N 3.26Å; T513-V515 PolarHBondContact O-N 3.2Å; V515-K517 VanDerWaalsContact C-N 3.3Å; V515-K517 PolarHBondContact O-N 2.87Å; V515-E518 VanDerWaalsContact O-CB 3.3Å; V515-E518 WeakPolarHBondContact O-CB 3.38Å; V515-E518 PolarHBondContact O-N 3.04Å; V515-Y519 HydrophobicContact CG1-CD2 3.93Å; V515-Y519 HydrophobicContact CG1-CE2 3.72Å; V515-Y519 VanDerWaalsContact O-CD2 3.25Å; V515-Y519 WeakPolarHBondContact O-CD2 3.39Å; V515-Y519 PolarHBondContact O-N 2.89Å |
| 516 | T | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.8 | -37.7 | 175.9 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | Q463 L466 Q467 I506 T513 V514 Y519 A520 | Q463-T516 PolarHBondContact OE1-OG1 2.82Å; Q463-T516 VanDerWaalsContact OE1-OG1 3.08Å; L466-T516 HydrophobicContact CB-CG2 3.66Å; L466-T516 HydrophobicContact CD1-CG2 4.39Å; Q467-T516 HydrophobicContact CG-CG2 4.34Å; Q467-T516 WeakPolarHBondContact CG-OG1 3.42Å; Q467-T516 PolarHBondContact NE2-OG1 2.93Å; I506-T516 HydrophobicContact CG2-CG2 3.79Å; T513-T516 PolarHBondContact O-N 2.69Å; T513-T516 VanDerWaalsContact O-N 3.16Å; T513-T516 PolarHBondContact OG1-N 3.14Å; T513-T516 PolarHBondContact OG1-OG1 3.12Å; V514-T516 PolarHBondContact O-N 2.92Å; T516-Y519 PolarHBondContact O-N 3.08Å; T516-A520 WeakPolarHBondContact O-CB 3.42Å; T516-A520 PolarHBondContact O-N 2.74Å |
| 517 | K | 92.5 | Very high | 90.5 | Very high | 38 Ų | 38 | 31.9 Ų | 31.9 | 17% | 0.165 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.1 | -38.6 | 175.1 | -67.2 | -177.8 | -179.3 | -167.6 | 0 | 112.3 | A507 A509 S512 T513 V514 V515 A520 L521 L553 | A507-K517 WeakPolarHBondContact O-CE 3.43Å; A509-K517 WeakPolarHBondContact O-CE 3.45Å; A509-K517 PolarHBondContact O-NZ 3Å; S512-K517 WeakPolarHBondContact O-CE 3.37Å; T513-K517 WeakPolarHBondContact O-CG 3.37Å; T513-K517 PolarHBondContact O-N 2.92Å; V514-K517 WeakPolarHBondContact O-CB 3.34Å; V514-K517 PolarHBondContact O-N 2.93Å; V514-K517 VanDerWaalsContact O-N 3.15Å; V515-K517 VanDerWaalsContact C-N 3.3Å; V515-K517 PolarHBondContact O-N 2.87Å; K517-A520 PolarHBondContact O-N 3.11Å; K517-L521 WeakPolarHBondContact O-CG 3.31Å; K517-L521 PolarHBondContact O-N 2.97Å; K517-L553 HydrophobicContact CB-CD1 4.23Å; K517-L553 HydrophobicContact CB-CD2 3.84Å; K517-L553 HydrophobicContact CD-CD1 4.32Å |
| 518 | E | 93.9 | Very high | 90.5 | Very high | 29 Ų | 29 | 31.8 Ų | 31.8 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 172.7 | -81.5 | 173.7 | -146.4 | 0 | 0 | 111.7 | V514 V515 L521 T522 L553 R556 | V514-E518 WeakPolarHBondContact CG1-OE1 3.36Å; V514-E518 WeakPolarHBondContact O-CG 3.45Å; V514-E518 PolarHBondContact O-N 3.15Å; V515-E518 VanDerWaalsContact O-CB 3.3Å; V515-E518 WeakPolarHBondContact O-CB 3.38Å; V515-E518 PolarHBondContact O-N 3.04Å; E518-L521 PolarHBondContact O-N 3.46Å; E518-T522 PolarHBondContact O-N 3.26Å; E518-T522 VanDerWaalsContact O-N 3.1Å; E518-T522 PolarHBondContact O-OG1 2.81Å; E518-L553 HydrophobicContact CB-CD2 4.32Å; E518-L553 HydrophobicContact CG-CD2 3.62Å; E518-L553 HydrophobicContact CG-CG 4.4Å; E518-R556 IonicContact OE2-CZ 3.19Å; E518-R556 IonicContact OE2-NH1 3.66Å; E518-R556 IonicContact OE2-NH2 2.74Å; E518-R556 PolarHBondContact OE2-NH2 3.15Å |
| 519 | Y | 94.2 | Very high | 90.3 | Very high | 66 Ų | 66 | 30 Ų | 30 | 26% | 0.259 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 173.4 | -84.1 | -78.6 | 0 | 0 | 0 | 112.2 | I434 Q467 W471 V515 T516 T522 A523 | I434-Y519 HydrophobicContact CD1-CE1 4.33Å; Q467-Y519 HydrophobicContact CB-CD2 3.98Å; Q467-Y519 HydrophobicContact CB-CE2 4.19Å; Q467-Y519 HydrophobicContact CB-CG 4.43Å; Q467-Y519 HydrophobicContact CG-CD2 3.85Å; Q467-Y519 HydrophobicContact CG-CE2 4.21Å; W471-Y519 HydrophobicContact CB-CD1 3.99Å; W471-Y519 HydrophobicContact CB-CE1 4.2Å; W471-Y519 HydrophobicContact CG-CE1 4.5Å; V515-Y519 HydrophobicContact CG1-CD2 3.93Å; V515-Y519 HydrophobicContact CG1-CE2 3.72Å; V515-Y519 VanDerWaalsContact O-CD2 3.25Å; V515-Y519 WeakPolarHBondContact O-CD2 3.39Å; V515-Y519 PolarHBondContact O-N 2.89Å; T516-Y519 PolarHBondContact O-N 3.08Å; Y519-T522 PolarHBondContact O-N 3.18Å; Y519-A523 WeakPolarHBondContact O-CB 3.37Å; Y519-A523 PolarHBondContact O-N 2.84Å |
| 520 | A | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I503 I506 A507 T516 K517 A523 L524 | I503-A520 HydrophobicContact CG2-CB 4.12Å; I503-A520 WeakPolarHBondContact CG2-O 3.28Å; I506-A520 HydrophobicContact CB-CB 4.48Å; I506-A520 HydrophobicContact CG2-CB 4.07Å; A507-A520 HydrophobicContact CB-CB 3.98Å; T516-A520 WeakPolarHBondContact O-CB 3.42Å; T516-A520 PolarHBondContact O-N 2.74Å; K517-A520 PolarHBondContact O-N 3.11Å; A520-A523 WeakPolarHBondContact O-CB 3.49Å; A520-A523 PolarHBondContact O-N 2.83Å; A520-L524 WeakPolarHBondContact O-CG 3.37Å; A520-L524 PolarHBondContact O-N 3.48Å |
| 521 | L | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 175.3 | -76.6 | 179.1 | 0 | 0 | 0 | 112 | K517 E518 A523 L524 S525 F545 L553 | K517-L521 WeakPolarHBondContact O-CG 3.31Å; K517-L521 PolarHBondContact O-N 2.97Å; E518-L521 PolarHBondContact O-N 3.46Å; L521-A523 VanDerWaalsContact C-N 3.28Å; L521-A523 PolarHBondContact O-N 3.21Å; L521-L524 HydrophobicContact CD2-CD1 4.45Å; L521-L524 PolarHBondContact O-N 3.28Å; L521-S525 PolarHBondContact O-N 3.21Å; L521-S525 VanDerWaalsContact O-N 3.09Å; L521-S525 PolarHBondContact O-OG 3.42Å; L521-F545 HydrophobicContact CD1-CB 4.12Å; L521-F545 HydrophobicContact CD1-CG 4.2Å; L521-F545 HydrophobicContact CD2-CB 4.28Å; L521-F545 HydrophobicContact CD2-CD2 3.65Å; L521-F545 HydrophobicContact CD2-CE2 4.16Å; L521-F545 HydrophobicContact CD2-CG 3.99Å; L521-L553 HydrophobicContact CD1-CB 4.39Å; L521-L553 HydrophobicContact CD1-CD2 3.64Å |
| 522 | T | 94 | Very high | 90 | Very high | 35 Ų | 35 | 25.7 Ų | 25.7 | 22% | 0.215 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.5 | -38.2 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | E518 Y519 S525 K526 F560 | E518-T522 PolarHBondContact O-N 3.26Å; E518-T522 VanDerWaalsContact O-N 3.1Å; E518-T522 PolarHBondContact O-OG1 2.81Å; Y519-T522 PolarHBondContact O-N 3.18Å; T522-S525 PolarHBondContact O-N 2.92Å; T522-K526 HydrophobicContact CG2-CD 4.46Å; T522-K526 WeakPolarHBondContact O-CG 3.4Å; T522-K526 PolarHBondContact O-N 3.19Å; T522-K526 VanDerWaalsContact O-N 3.1Å; T522-F560 HydrophobicContact CG2-CZ 4.43Å |
| 523 | A | 93.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S470 I503 Y519 A520 L521 S525 K526 L527 | S470-A523 WeakPolarHBondContact O-CB 3.31Å; I503-A523 HydrophobicContact CG2-CB 4.13Å; Y519-A523 WeakPolarHBondContact O-CB 3.37Å; Y519-A523 PolarHBondContact O-N 2.84Å; A520-A523 WeakPolarHBondContact O-CB 3.49Å; A520-A523 PolarHBondContact O-N 2.83Å; L521-A523 VanDerWaalsContact C-N 3.28Å; L521-A523 PolarHBondContact O-N 3.21Å; A523-S525 VanDerWaalsContact C-N 3.34Å; A523-S525 PolarHBondContact O-N 2.91Å; A523-K526 PolarHBondContact O-N 3.18Å; A523-L527 WeakPolarHBondContact O-CG 3.43Å; A523-L527 PolarHBondContact O-N 2.73Å |
| 524 | L | 91.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.6 | -47.3 | 175.3 | -74.7 | 171.9 | 0 | 0 | 0 | 111.5 | F500 I503 A507 A520 L521 K526 L527 C528 I538 A541 V542 | F500-L524 HydrophobicContact CD2-CD2 4.17Å; F500-L524 HydrophobicContact CE2-CD2 4.23Å; I503-L524 HydrophobicContact CB-CD2 4.09Å; I503-L524 HydrophobicContact CG2-CD1 4.49Å; I503-L524 HydrophobicContact CG2-CD2 3.77Å; I503-L524 HydrophobicContact CG2-CG 3.67Å; A507-L524 HydrophobicContact CB-CD1 4.49Å; A520-L524 WeakPolarHBondContact O-CG 3.37Å; A520-L524 PolarHBondContact O-N 3.48Å; L521-L524 HydrophobicContact CD2-CD1 4.45Å; L521-L524 PolarHBondContact O-N 3.28Å; L524-K526 VanDerWaalsContact C-N 3.33Å; L524-K526 PolarHBondContact O-N 3.33Å; L524-L527 PolarHBondContact O-N 3.08Å; L524-C528 PolarHBondContact O-N 3.33Å; L524-I538 HydrophobicContact CB-CG2 4.26Å; L524-I538 WeakPolarHBondContact O-CG2 3.36Å; L524-A541 HydrophobicContact CD1-CB 4.23Å; L524-V542 HydrophobicContact CB-CG2 4.29Å |
| 525 | S | 90.6 | Very high | 89 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59 | -44.4 | 177.4 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | L521 T522 A523 C528 F560 L574 | L521-S525 PolarHBondContact O-N 3.21Å; L521-S525 VanDerWaalsContact O-N 3.09Å; L521-S525 PolarHBondContact O-OG 3.42Å; T522-S525 PolarHBondContact O-N 2.92Å; A523-S525 VanDerWaalsContact C-N 3.34Å; A523-S525 PolarHBondContact O-N 2.91Å; S525-C528 WeakPolarHBondContact O-CB 3.45Å; S525-C528 PolarHBondContact O-N 2.91Å; S525-F560 WeakPolarHBondContact OG-CB 2.74Å; S525-F560 WeakPolarHBondContact OG-CD2 3.44Å; S525-F560 WeakPolarHBondContact OG-CG 3.05Å; S525-L574 WeakPolarHBondContact O-CD1 3.31Å |
| 526 | K | 91.5 | Very high | 88.6 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 6% | 0.057 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.5 | -34.5 | 176.3 | -74.4 | -179.2 | -176 | 178.8 | 0 | 113.4 | G474 E475 T522 A523 L524 C528 T529 R530 L574 | G474-K526 VanDerWaalsContact O-CB 3.23Å; G474-K526 WeakPolarHBondContact O-CB 3.42Å; E475-K526 IonicContact OE1-NZ 2.88Å; E475-K526 PolarHBondContact OE1-NZ 3.38Å; T522-K526 HydrophobicContact CG2-CD 4.46Å; T522-K526 WeakPolarHBondContact O-CG 3.4Å; T522-K526 PolarHBondContact O-N 3.19Å; T522-K526 VanDerWaalsContact O-N 3.1Å; A523-K526 PolarHBondContact O-N 3.18Å; L524-K526 VanDerWaalsContact C-N 3.33Å; L524-K526 PolarHBondContact O-N 3.33Å; K526-C528 PolarHBondContact O-N 3.35Å; K526-T529 PolarHBondContact O-N 2.87Å; K526-T529 PolarHBondContact O-OG1 2.88Å; K526-R530 WeakPolarHBondContact O-CD 3.47Å; K526-R530 PolarHBondContact O-NH1 2.98Å; K526-L574 HydrophobicContact CG-CD2 4.18Å |
| 527 | L | 89.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.2 | -22.9 | 174.8 | -72.5 | 179.9 | 0 | 0 | 0 | 112.2 | I473 V499 I503 A523 L524 T529 R530 F531 I538 | I473-L527 HydrophobicContact CG2-CD1 4.26Å; I473-L527 HydrophobicContact CG2-CD2 4.36Å; I473-L527 WeakPolarHBondContact O-CD2 3.41Å; V499-L527 HydrophobicContact CG1-CD1 4.32Å; I503-L527 HydrophobicContact CG1-CD1 4.23Å; A523-L527 WeakPolarHBondContact O-CG 3.43Å; A523-L527 PolarHBondContact O-N 2.73Å; L524-L527 PolarHBondContact O-N 3.08Å; L527-T529 VanDerWaalsContact C-N 3.3Å; L527-T529 PolarHBondContact O-N 2.92Å; L527-R530 PolarHBondContact O-N 3.18Å; L527-F531 HydrophobicContact CB-CD2 4.28Å; L527-F531 HydrophobicContact CD1-CE2 4.29Å; L527-F531 HydrophobicContact CD2-CD2 4.05Å; L527-F531 HydrophobicContact CD2-CE2 3.58Å; L527-F531 HydrophobicContact CD2-CZ 3.91Å; L527-F531 HydrophobicContact CG-CE2 4.36Å; L527-F531 PolarHBondContact O-N 3.11Å; L527-I538 HydrophobicContact CB-CD1 4.08Å |
| 528 | C | 87 | Confident | 88.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -33.1 | 176.7 | -166.7 | 0 | 0 | 0 | 0 | 113.3 | L524 S525 K526 I538 L564 | L524-C528 PolarHBondContact O-N 3.33Å; S525-C528 WeakPolarHBondContact O-CB 3.45Å; S525-C528 PolarHBondContact O-N 2.91Å; K526-C528 PolarHBondContact O-N 3.35Å; C528-I538 HydrophobicContact CB-CD1 4.33Å; C528-I538 HydrophobicContact CB-CG2 4.05Å; C528-L564 HydrophobicContact CB-CD2 3.56Å; C528-L564 VanDerWaalsContact SG-CD2 3.51Å |
| 529 | T | 84.8 | Confident | 87.9 | Confident | 36 Ų | 36 | 30.6 Ų | 30.6 | 22% | 0.221 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -78.6 | -29.4 | 173.9 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | K526 L527 R570 D571 L574 | K526-T529 PolarHBondContact O-N 2.87Å; K526-T529 PolarHBondContact O-OG1 2.88Å; L527-T529 VanDerWaalsContact C-N 3.3Å; L527-T529 PolarHBondContact O-N 2.92Å; T529-R570 HydrophobicContact CG2-CG 3.74Å; T529-D571 WeakPolarHBondContact CG2-OD1 3.31Å; T529-L574 HydrophobicContact CG2-CB 3.76Å; T529-L574 HydrophobicContact CG2-CD1 3.95Å; T529-L574 HydrophobicContact CG2-CG 4.48Å |
| 530 | R | 84.4 | Confident | 87.6 | Confident | 32 Ų | 32 | 32.4 Ų | 32.4 | 12% | 0.121 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -84.8 | -35.9 | -175.8 | -66.7 | 158.3 | 176.7 | 77.8 | -5.9 | 112.9 | G474 E475 D478 K526 L527 P532 L574 | G474-R530 WeakPolarHBondContact O-CD 3.43Å; G474-R530 PolarHBondContact O-NE 3.05Å; E475-R530 VanDerWaalsContact O-CZ 3.28Å; E475-R530 PolarHBondContact O-NE 2.89Å; E475-R530 PolarHBondContact O-NH2 2.8Å; E475-R530 IonicContact OE2-NH2 4Å; E475-R530 PolarHBondContact OE2-NH2 2.82Å; D478-R530 HydrophobicContact CB-CB 4.37Å; D478-R530 HydrophobicContact CB-CG 4.45Å; K526-R530 WeakPolarHBondContact O-CD 3.47Å; K526-R530 PolarHBondContact O-NH1 2.98Å; L527-R530 PolarHBondContact O-N 3.18Å; R530-P532 VanDerWaalsContact O-CD 3.31Å; R530-P532 WeakPolarHBondContact O-CD 3.49Å; R530-L574 PolarHBondContact NH1-O 2.82Å |
| 531 | F | 84.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | trans | -115.6 | 82.2 | -179.3 | -56.5 | -23.3 | 0 | 0 | 0 | 110.5 | G477 I481 V499 L527 N533 F534 | G477-F531 WeakPolarHBondContact O-CE1 3.38Å; G477-F531 VanDerWaalsContact O-CZ 3.27Å; G477-F531 WeakPolarHBondContact O-CZ 3.33Å; I481-F531 HydrophobicContact CD1-CD1 3.51Å; I481-F531 HydrophobicContact CD1-CE1 3.11Å; I481-F531 HydrophobicContact CD1-CZ 3.85Å; I481-F531 HydrophobicContact CG1-CE1 3.92Å; I481-F531 HydrophobicContact CG1-CZ 4.26Å; V499-F531 HydrophobicContact CB-CE2 4.14Å; V499-F531 HydrophobicContact CG1-CE2 4Å; V499-F531 HydrophobicContact CG1-CZ 4.44Å; L527-F531 HydrophobicContact CB-CD2 4.28Å; L527-F531 HydrophobicContact CD1-CE2 4.29Å; L527-F531 HydrophobicContact CD2-CD2 4.05Å; L527-F531 HydrophobicContact CD2-CE2 3.58Å; L527-F531 HydrophobicContact CD2-CZ 3.91Å; L527-F531 HydrophobicContact CG-CE2 4.36Å; L527-F531 PolarHBondContact O-N 3.11Å; F531-N533 PolarHBondContact O-N 2.91Å; F531-N533 VanDerWaalsContact O-N 3.1Å; F531-F534 PolarHBondContact O-N 3.43Å | ||
| 532 | P | 78.3 | Confident | 87.3 | Confident | 86 Ų | 86 | 32.5 Ų | 32.5 | 56% | 0.558 | 18% | 0.176 | S | C | * | . | G | 310 helix | trans | -61.9 | -23.1 | -175.6 | 24 | -34 | 0 | 0 | 0 | 113.5 | R530 F534 | R530-P532 VanDerWaalsContact O-CD 3.31Å; R530-P532 WeakPolarHBondContact O-CD 3.49Å; P532-F534 VanDerWaalsContact C-N 3.33Å; P532-F534 PolarHBondContact O-N 3.03Å |
| 533 | N | 81 | Confident | 87.1 | Confident | 119 Ų | 119 | 34.5 Ų | 34.5 | 64% | 0.636 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -72.1 | -23.8 | -179.2 | -60.4 | -39.9 | 0 | 0 | 0 | 113.8 | E496 F531 | E496-N533 PolarHBondContact OE2-ND2 3.17Å; F531-N533 PolarHBondContact O-N 2.91Å; F531-N533 VanDerWaalsContact O-N 3.1Å |
| 534 | F | 82.2 | Confident | 86.9 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -110.1 | 17.6 | -173.2 | -71.1 | -88.6 | 0 | 0 | 0 | 113 | E496 K497 F531 P532 A536 E537 I538 | E496-F534 HydrophobicContact CB-CD2 3.8Å; E496-F534 HydrophobicContact CB-CE2 3.4Å; E496-F534 HydrophobicContact CB-CZ 4.2Å; E496-F534 HydrophobicContact CG-CE2 4.25Å; E496-F534 WeakPolarHBondContact OE2-CD2 3.41Å; E496-F534 WeakPolarHBondContact OE2-CE2 3.34Å; K497-F534 HydrophobicContact CB-CE1 3.97Å; K497-F534 HydrophobicContact CB-CZ 3.84Å; K497-F534 HydrophobicContact CG-CE1 4.22Å; F531-F534 PolarHBondContact O-N 3.43Å; P532-F534 VanDerWaalsContact C-N 3.33Å; P532-F534 PolarHBondContact O-N 3.03Å; F534-A536 VanDerWaalsContact C-N 3.25Å; F534-A536 PolarHBondContact O-N 3.11Å; F534-E537 WeakPolarHBondContact CA-OE2 3.42Å; F534-E537 PolarHBondContact O-N 2.94Å; F534-I538 HydrophobicContact CB-CD1 4.22Å; F534-I538 WeakPolarHBondContact O-CB 3.09Å; F534-I538 WeakPolarHBondContact O-CD1 3.34Å; F534-I538 VanDerWaalsContact O-CG1 3.22Å; F534-I538 WeakPolarHBondContact O-CG1 3.38Å; F534-I538 PolarHBondContact O-N 3.2Å |
| 535 | E | 83.1 | Confident | 86.8 | Confident | 24 Ų | 24 | 42.5 Ų | 42.5 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.5 | -38.4 | -178.7 | 173.5 | -179.1 | 144.4 | 0 | 0 | 112.3 | R539 K567 R570 | E535-R539 WeakPolarHBondContact O-CB 3.44Å; E535-R539 PolarHBondContact O-N 2.9Å; E535-R539 VanDerWaalsContact O-N 3.11Å; E535-R539 IonicContact OE1-CZ 3.42Å; E535-R539 IonicContact OE1-NH1 3.36Å; E535-R539 IonicContact OE1-NH2 2.75Å; E535-R539 PolarHBondContact OE1-NH2 3.35Å; E535-K567 WeakPolarHBondContact OE1-CE 3.42Å; E535-K567 IonicContact OE1-NZ 3.31Å; E535-K567 PolarHBondContact OE1-NZ 2.84Å; E535-K567 IonicContact OE2-NZ 3.89Å; E535-K567 PolarHBondContact OE2-NZ 3.27Å; E535-R570 IonicContact OE2-CZ 3.75Å; E535-R570 IonicContact OE2-NH1 2.72Å; E535-R570 PolarHBondContact OE2-NH1 2.8Å |
| 536 | A | 84.4 | Confident | 86.7 | Confident | 65 Ų | 65 | 44 Ų | 44 | 54% | 0.537 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70 | -47.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F534 R539 E540 | F534-A536 VanDerWaalsContact C-N 3.25Å; F534-A536 PolarHBondContact O-N 3.11Å; A536-R539 PolarHBondContact O-N 3.34Å; A536-E540 PolarHBondContact O-N 3.07Å |
| 537 | E | 87.6 | Confident | 86.6 | Confident | 81 Ų | 81 | 46.2 Ų | 46.2 | 38% | 0.379 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.2 | -37.7 | 180 | -64.9 | 86.6 | 164.8 | 0 | 0 | 111.9 | F500 F534 E540 A541 | F500-E537 HydrophobicContact CE1-CB 3.95Å; F500-E537 HydrophobicContact CE2-CB 4.2Å; F500-E537 HydrophobicContact CZ-CB 3.67Å; F500-E537 WeakPolarHBondContact CZ-O 3.49Å; F534-E537 WeakPolarHBondContact CA-OE2 3.42Å; F534-E537 PolarHBondContact O-N 2.94Å; E537-E540 PolarHBondContact O-N 3.34Å; E537-A541 WeakPolarHBondContact O-CB 3.41Å; E537-A541 PolarHBondContact O-N 3.13Å |
| 538 | I | 87.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 174.5 | -69.6 | 168.5 | 0 | 0 | 0 | 110.9 | F500 L524 L527 C528 F534 E540 A541 V542 L564 | F500-I538 HydrophobicContact CD2-CG1 3.66Å; F500-I538 HydrophobicContact CE2-CB 4.41Å; F500-I538 HydrophobicContact CE2-CG1 3.72Å; L524-I538 HydrophobicContact CB-CG2 4.26Å; L524-I538 WeakPolarHBondContact O-CG2 3.36Å; L527-I538 HydrophobicContact CB-CD1 4.08Å; C528-I538 HydrophobicContact CB-CD1 4.33Å; C528-I538 HydrophobicContact CB-CG2 4.05Å; F534-I538 HydrophobicContact CB-CD1 4.22Å; F534-I538 WeakPolarHBondContact O-CB 3.09Å; F534-I538 WeakPolarHBondContact O-CD1 3.34Å; F534-I538 VanDerWaalsContact O-CG1 3.22Å; F534-I538 WeakPolarHBondContact O-CG1 3.38Å; F534-I538 PolarHBondContact O-N 3.2Å; I538-E540 VanDerWaalsContact C-N 3.34Å; I538-E540 PolarHBondContact O-N 3.36Å; I538-A541 PolarHBondContact O-N 2.93Å; I538-V542 WeakPolarHBondContact O-CG2 3.41Å; I538-V542 PolarHBondContact O-N 3.36Å; I538-L564 HydrophobicContact CG2-CD1 4.5Å |
| 539 | R | 88.3 | Confident | 86.6 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.7 | -44 | 176.7 | -170.9 | -178.4 | -66.8 | 102 | -2.9 | 111.2 | E535 A536 A541 V542 Q543 L564 | E535-R539 WeakPolarHBondContact O-CB 3.44Å; E535-R539 PolarHBondContact O-N 2.9Å; E535-R539 VanDerWaalsContact O-N 3.11Å; E535-R539 IonicContact OE1-CZ 3.42Å; E535-R539 IonicContact OE1-NH1 3.36Å; E535-R539 IonicContact OE1-NH2 2.75Å; E535-R539 PolarHBondContact OE1-NH2 3.35Å; A536-R539 PolarHBondContact O-N 3.34Å; R539-A541 VanDerWaalsContact C-N 3.31Å; R539-A541 PolarHBondContact O-N 3.42Å; R539-V542 PolarHBondContact O-N 3.41Å; R539-Q543 HydrophobicContact CG-CG 4.45Å; R539-Q543 WeakPolarHBondContact O-CB 3.36Å; R539-Q543 VanDerWaalsContact O-CG 3.29Å; R539-Q543 WeakPolarHBondContact O-CG 3.4Å; R539-Q543 PolarHBondContact O-N 2.81Å; R539-L564 PolarHBondContact NH2-O 3.41Å |
| 540 | E | 89.4 | Confident | 86.9 | Confident | 104 Ų | 104 | 57 Ų | 57 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 175.9 | -164.4 | -156 | 131.6 | 0 | 0 | 111.9 | A536 E537 I538 Q543 K544 | A536-E540 PolarHBondContact O-N 3.07Å; E537-E540 PolarHBondContact O-N 3.34Å; I538-E540 VanDerWaalsContact C-N 3.34Å; I538-E540 PolarHBondContact O-N 3.36Å; E540-Q543 PolarHBondContact O-N 3.42Å; E540-K544 WeakPolarHBondContact O-CG 3.34Å; E540-K544 PolarHBondContact O-N 3.25Å; E540-K544 VanDerWaalsContact OE1-CE 3.27Å; E540-K544 WeakPolarHBondContact OE1-CE 3.17Å; E540-K544 IonicContact OE1-NZ 3.99Å; E540-K544 PolarHBondContact OE1-NZ 3.39Å |
| 541 | A | 88.7 | Confident | 87.2 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F500 L524 E537 I538 R539 F545 | F500-A541 HydrophobicContact CE2-CB 4.22Å; F500-A541 HydrophobicContact CZ-CB 4.26Å; L524-A541 HydrophobicContact CD1-CB 4.23Å; E537-A541 WeakPolarHBondContact O-CB 3.41Å; E537-A541 PolarHBondContact O-N 3.13Å; I538-A541 PolarHBondContact O-N 2.93Å; R539-A541 VanDerWaalsContact C-N 3.31Å; R539-A541 PolarHBondContact O-N 3.42Å; A541-F545 WeakPolarHBondContact O-CD2 3.32Å |
| 542 | V | 90.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 176.8 | 174 | 0 | 0 | 0 | 0 | 111.4 | L524 I538 R539 K544 F545 F560 L564 | L524-V542 HydrophobicContact CB-CG2 4.29Å; I538-V542 WeakPolarHBondContact O-CG2 3.41Å; I538-V542 PolarHBondContact O-N 3.36Å; R539-V542 PolarHBondContact O-N 3.41Å; V542-K544 PolarHBondContact O-N 2.9Å; V542-F545 PolarHBondContact O-N 3.14Å; V542-F560 HydrophobicContact CG1-CB 3.97Å; V542-L564 HydrophobicContact CG2-CD1 4.32Å |
| 543 | Q | 89.8 | Confident | 88.3 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 36% | 0.36 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.7 | -31.8 | -179.6 | -78.6 | 177.8 | -5.4 | 0 | 0 | 113.3 | R539 E540 F545 T546 D561 | R539-Q543 HydrophobicContact CG-CG 4.45Å; R539-Q543 WeakPolarHBondContact O-CB 3.36Å; R539-Q543 VanDerWaalsContact O-CG 3.29Å; R539-Q543 WeakPolarHBondContact O-CG 3.4Å; R539-Q543 PolarHBondContact O-N 2.81Å; E540-Q543 PolarHBondContact O-N 3.42Å; Q543-F545 PolarHBondContact O-N 3.09Å; Q543-F545 VanDerWaalsContact O-N 3.12Å; Q543-T546 WeakPolarHBondContact O-CB 3.33Å; Q543-T546 WeakPolarHBondContact O-CG2 3.48Å; Q543-T546 PolarHBondContact O-N 3.07Å; Q543-T546 VanDerWaalsContact O-N 3.17Å; Q543-T546 PolarHBondContact O-OG1 2.91Å; Q543-D561 WeakPolarHBondContact CG-OD1 2.93Å; Q543-D561 PolarHBondContact NE2-OD1 3.19Å |
| 544 | K | 89.2 | Confident | 88.8 | Confident | 136 Ų | 136 | 60.3 Ų | 60.3 | 59% | 0.591 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25 | 175.8 | -72.2 | 167.2 | -173.7 | 164.2 | 0 | 113.3 | E540 V542 | E540-K544 WeakPolarHBondContact O-CG 3.34Å; E540-K544 PolarHBondContact O-N 3.25Å; E540-K544 VanDerWaalsContact OE1-CE 3.27Å; E540-K544 WeakPolarHBondContact OE1-CE 3.17Å; E540-K544 IonicContact OE1-NZ 3.99Å; E540-K544 PolarHBondContact OE1-NZ 3.39Å; V542-K544 PolarHBondContact O-N 2.9Å |
| 545 | F | 89.6 | Confident | 89.3 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -5.3 | -178 | -67.1 | -89.5 | 0 | 0 | 0 | 114.5 | A507 L521 A541 V542 Q543 C547 S548 S557 | A507-F545 HydrophobicContact CB-CE2 4.06Å; A507-F545 HydrophobicContact CB-CZ 3.88Å; A507-F545 VanDerWaalsContact O-CZ 3.31Å; A507-F545 WeakPolarHBondContact O-CZ 3.46Å; L521-F545 HydrophobicContact CD1-CB 4.12Å; L521-F545 HydrophobicContact CD1-CG 4.2Å; L521-F545 HydrophobicContact CD2-CB 4.28Å; L521-F545 HydrophobicContact CD2-CD2 3.65Å; L521-F545 HydrophobicContact CD2-CE2 4.16Å; L521-F545 HydrophobicContact CD2-CG 3.99Å; A541-F545 WeakPolarHBondContact O-CD2 3.32Å; V542-F545 PolarHBondContact O-N 3.14Å; Q543-F545 PolarHBondContact O-N 3.09Å; Q543-F545 VanDerWaalsContact O-N 3.12Å; F545-C547 PolarHBondContact O-N 3.21Å; F545-S548 WeakPolarHBondContact O-CB 3.25Å; F545-S548 PolarHBondContact O-N 3.32Å; F545-S557 PolarHBondContact O-OG 3.35Å |
| 546 | T | 89.4 | Confident | 89.8 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 20% | 0.202 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -27.3 | 178.1 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | Q543 Q554 S557 | Q543-T546 WeakPolarHBondContact O-CB 3.33Å; Q543-T546 WeakPolarHBondContact O-CG2 3.48Å; Q543-T546 PolarHBondContact O-N 3.07Å; Q543-T546 VanDerWaalsContact O-N 3.17Å; Q543-T546 PolarHBondContact O-OG1 2.91Å; T546-Q554 WeakPolarHBondContact O-CG 3.46Å; T546-Q554 PolarHBondContact O-NE2 3.38Å; T546-S557 VanDerWaalsContact CA-OG 3.28Å; T546-S557 WeakPolarHBondContact CA-OG 3.44Å; T546-S557 PolarHBondContact N-OG 3.04Å |
| 547 | C | 88.4 | Confident | 90.2 | Very high | 59 Ų | 59 | 62.1 Ų | 62.1 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 16 | 175.5 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | F545 | F545-C547 PolarHBondContact O-N 3.21Š|
| 548 | S | 88.7 | Confident | 90.5 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | trans | -61 | 143.8 | 177.7 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | F545 N550 | F545-S548 WeakPolarHBondContact O-CB 3.25Å; F545-S548 PolarHBondContact O-N 3.32Å; S548-N550 VanDerWaalsContact C-N 3.26Å; S548-N550 PolarHBondContact O-N 3.3Å; S548-N550 PolarHBondContact OG-N 2.79Å | ||
| 549 | M | 89.2 | Confident | 90.7 | Very high | 183 Ų | 183 | 65.5 Ų | 65.5 | 90% | 0.901 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -74.7 | -17.2 | 175.3 | -66 | -61.7 | -58.5 | 0 | 0 | 112.8 | ||
| 550 | N | 90.4 | Very high | 91 | Very high | 54 Ų | 54 | 64.8 Ų | 64.8 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -88.3 | 125.1 | 177.1 | 179.3 | -74 | 0 | 0 | 0 | 109.6 | V514 S548 E552 L553 Q554 | V514-N550 WeakPolarHBondContact CG1-ND2 3.3Å; S548-N550 VanDerWaalsContact C-N 3.26Å; S548-N550 PolarHBondContact O-N 3.3Å; S548-N550 PolarHBondContact OG-N 2.79Å; N550-E552 PolarHBondContact O-N 3.37Å; N550-E552 WeakPolarHBondContact OD1-CB 2.98Å; N550-E552 PolarHBondContact OD1-N 3.25Å; N550-L553 HydrophobicContact CB-CB 4.3Å; N550-L553 HydrophobicContact CB-CD1 4.11Å; N550-L553 HydrophobicContact CB-CG 4.28Å; N550-L553 PolarHBondContact O-N 2.95Å; N550-L553 PolarHBondContact OD1-N 3.44Å; N550-L553 VanDerWaalsContact OD1-N 3.16Å; N550-Q554 VanDerWaalsContact O-CB 3.31Å; N550-Q554 WeakPolarHBondContact O-CB 3.25Å; N550-Q554 PolarHBondContact O-N 3.15Å |
| 551 | L | 91.6 | Very high | 91 | Very high | 136 Ų | 136 | 61 Ų | 61 | 71% | 0.712 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.7 | -41.8 | -174.4 | -67.7 | 171.6 | 0 | 0 | 0 | 112.9 | Q554 Q555 | L551-Q554 PolarHBondContact O-N 2.84Å; L551-Q555 WeakPolarHBondContact O-CB 3.43Å; L551-Q555 PolarHBondContact O-N 2.76Å |
| 552 | E | 92.2 | Very high | 91 | Very high | 95 Ų | 95 | 69.2 Ų | 69.2 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.5 | -48.1 | 178.9 | -82.7 | -67.7 | 134.4 | 0 | 0 | 112 | N550 Q554 Q555 R556 | N550-E552 PolarHBondContact O-N 3.37Å; N550-E552 WeakPolarHBondContact OD1-CB 2.98Å; N550-E552 PolarHBondContact OD1-N 3.25Å; E552-Q554 VanDerWaalsContact C-N 3.32Å; E552-Q554 PolarHBondContact O-N 2.66Å; E552-Q555 PolarHBondContact O-N 2.95Å; E552-R556 WeakPolarHBondContact O-CB 3.49Å; E552-R556 WeakPolarHBondContact O-CG 3.48Å; E552-R556 PolarHBondContact O-N 3.01Å; E552-R556 IonicContact OE2-CZ 2.91Å; E552-R556 IonicContact OE2-NE 2.81Å; E552-R556 PolarHBondContact OE2-NE 3Å; E552-R556 IonicContact OE2-NH2 3.66Å; E552-R556 PolarHBondContact OE2-NH2 3.19Å |
| 553 | L | 92.5 | Very high | 91 | Very high | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 177.3 | -66.2 | 177.9 | 0 | 0 | 0 | 111.5 | V514 K517 E518 L521 N550 S557 | V514-L553 HydrophobicContact CG1-CD1 4.29Å; V514-L553 HydrophobicContact CG1-CG 4.33Å; K517-L553 HydrophobicContact CB-CD1 4.23Å; K517-L553 HydrophobicContact CB-CD2 3.84Å; K517-L553 HydrophobicContact CD-CD1 4.32Å; E518-L553 HydrophobicContact CB-CD2 4.32Å; E518-L553 HydrophobicContact CG-CD2 3.62Å; E518-L553 HydrophobicContact CG-CG 4.4Å; L521-L553 HydrophobicContact CD1-CB 4.39Å; L521-L553 HydrophobicContact CD1-CD2 3.64Å; N550-L553 HydrophobicContact CB-CB 4.3Å; N550-L553 HydrophobicContact CB-CD1 4.11Å; N550-L553 HydrophobicContact CB-CG 4.28Å; N550-L553 PolarHBondContact O-N 2.95Å; N550-L553 PolarHBondContact OD1-N 3.44Å; N550-L553 VanDerWaalsContact OD1-N 3.16Å; L553-S557 VanDerWaalsContact O-CB 3.27Å; L553-S557 WeakPolarHBondContact O-CB 3.41Å; L553-S557 PolarHBondContact O-N 3.41Å; L553-S557 PolarHBondContact O-OG 2.8Å |
| 554 | Q | 92.3 | Very high | 90.8 | Very high | 70 Ų | 70 | 67.1 Ų | 67.1 | 33% | 0.327 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 176.4 | 170.4 | 167.7 | 62.8 | 0 | 0 | 111.6 | T546 N550 L551 E552 S557 C558 | T546-Q554 WeakPolarHBondContact O-CG 3.46Å; T546-Q554 PolarHBondContact O-NE2 3.38Å; N550-Q554 VanDerWaalsContact O-CB 3.31Å; N550-Q554 WeakPolarHBondContact O-CB 3.25Å; N550-Q554 PolarHBondContact O-N 3.15Å; L551-Q554 PolarHBondContact O-N 2.84Å; E552-Q554 VanDerWaalsContact C-N 3.32Å; E552-Q554 PolarHBondContact O-N 2.66Å; Q554-S557 WeakPolarHBondContact CA-OG 3.28Å; Q554-S557 PolarHBondContact O-OG 3.3Å; Q554-C558 WeakPolarHBondContact O-CB 3.35Å; Q554-C558 PolarHBondContact O-N 2.82Å; Q554-C558 PolarHBondContact O-SG 3.3Å |
| 555 | Q | 93.4 | Very high | 90.6 | Very high | 103 Ų | 103 | 65.8 Ų | 65.8 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.3 | -52.4 | -179.6 | -174 | 64.6 | 24.3 | 0 | 0 | 110.3 | L551 E552 S557 C558 E559 | L551-Q555 WeakPolarHBondContact O-CB 3.43Å; L551-Q555 PolarHBondContact O-N 2.76Å; E552-Q555 PolarHBondContact O-N 2.95Å; Q555-S557 PolarHBondContact O-N 3.49Å; Q555-C558 PolarHBondContact O-N 3.21Å; Q555-E559 PolarHBondContact NE2-OE1 3.33Å; Q555-E559 WeakPolarHBondContact O-CG 3.39Å; Q555-E559 PolarHBondContact O-N 3.16Å |
| 556 | R | 93.7 | Very high | 90.3 | Very high | 60 Ų | 60 | 65.6 Ų | 65.6 | 23% | 0.226 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 178.9 | -72.1 | -173.6 | -160.1 | -176.3 | 16.5 | 112.6 | E518 E552 E559 F560 | E518-R556 IonicContact OE2-CZ 3.19Å; E518-R556 IonicContact OE2-NH1 3.66Å; E518-R556 IonicContact OE2-NH2 2.74Å; E518-R556 PolarHBondContact OE2-NH2 3.15Å; E552-R556 WeakPolarHBondContact O-CB 3.49Å; E552-R556 WeakPolarHBondContact O-CG 3.48Å; E552-R556 PolarHBondContact O-N 3.01Å; E552-R556 IonicContact OE2-CZ 2.91Å; E552-R556 IonicContact OE2-NE 2.81Å; E552-R556 PolarHBondContact OE2-NE 3Å; E552-R556 IonicContact OE2-NH2 3.66Å; E552-R556 PolarHBondContact OE2-NH2 3.19Å; R556-E559 PolarHBondContact O-N 2.91Å; R556-F560 HydrophobicContact CB-CD2 4.15Å; R556-F560 HydrophobicContact CB-CE2 3.84Å; R556-F560 HydrophobicContact CB-CZ 4.41Å; R556-F560 HydrophobicContact CG-CE2 4.42Å; R556-F560 WeakPolarHBondContact O-CB 3.45Å; R556-F560 WeakPolarHBondContact O-CD2 3.45Å; R556-F560 WeakPolarHBondContact O-CG 3.28Å; R556-F560 PolarHBondContact O-N 2.72Å |
| 557 | S | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67 | -39.1 | 179.5 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | F545 T546 L553 Q554 Q555 D561 | F545-S557 PolarHBondContact O-OG 3.35Å; T546-S557 VanDerWaalsContact CA-OG 3.28Å; T546-S557 WeakPolarHBondContact CA-OG 3.44Å; T546-S557 PolarHBondContact N-OG 3.04Å; L553-S557 VanDerWaalsContact O-CB 3.27Å; L553-S557 WeakPolarHBondContact O-CB 3.41Å; L553-S557 PolarHBondContact O-N 3.41Å; L553-S557 PolarHBondContact O-OG 2.8Å; Q554-S557 WeakPolarHBondContact CA-OG 3.28Å; Q554-S557 PolarHBondContact O-OG 3.3Å; Q555-S557 PolarHBondContact O-N 3.49Å; S557-D561 VanDerWaalsContact O-CB 3.24Å; S557-D561 WeakPolarHBondContact O-CB 3.42Å; S557-D561 PolarHBondContact O-N 3.42Å |
| 558 | C | 93 | Very high | 89.5 | Confident | 50 Ų | 50 | 73 Ų | 73 | 34% | 0.338 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 173.5 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | Q554 Q555 R562 | Q554-C558 WeakPolarHBondContact O-CB 3.35Å; Q554-C558 PolarHBondContact O-N 2.82Å; Q554-C558 PolarHBondContact O-SG 3.3Å; Q555-C558 PolarHBondContact O-N 3.21Å; C558-R562 WeakPolarHBondContact O-CG 3.28Å; C558-R562 PolarHBondContact O-N 3.26Å |
| 559 | E | 93.4 | Very high | 89.3 | Confident | 103 Ų | 103 | 76.2 Ų | 76.2 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 177.4 | -73 | 176.1 | 179.8 | 0 | 0 | 111.9 | Q555 R556 R562 L563 | Q555-E559 PolarHBondContact NE2-OE1 3.33Å; Q555-E559 WeakPolarHBondContact O-CG 3.39Å; Q555-E559 PolarHBondContact O-N 3.16Å; R556-E559 PolarHBondContact O-N 2.91Å; E559-R562 PolarHBondContact O-N 2.9Å; E559-L563 WeakPolarHBondContact O-CB 3.45Å; E559-L563 PolarHBondContact O-N 3.07Å |
| 560 | F | 92.6 | Very high | 89 | Confident | 28 Ų | 28 | 68.5 Ų | 68.5 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 178.2 | -66.8 | -29.3 | 0 | 0 | 0 | 112 | T522 S525 V542 R556 R562 L563 L564 | T522-F560 HydrophobicContact CG2-CZ 4.43Å; S525-F560 WeakPolarHBondContact OG-CB 2.74Å; S525-F560 WeakPolarHBondContact OG-CD2 3.44Å; S525-F560 WeakPolarHBondContact OG-CG 3.05Å; V542-F560 HydrophobicContact CG1-CB 3.97Å; R556-F560 HydrophobicContact CB-CD2 4.15Å; R556-F560 HydrophobicContact CB-CE2 3.84Å; R556-F560 HydrophobicContact CB-CZ 4.41Å; R556-F560 HydrophobicContact CG-CE2 4.42Å; R556-F560 WeakPolarHBondContact O-CB 3.45Å; R556-F560 WeakPolarHBondContact O-CD2 3.45Å; R556-F560 WeakPolarHBondContact O-CG 3.28Å; R556-F560 PolarHBondContact O-N 2.72Å; F560-R562 VanDerWaalsContact C-N 3.31Å; F560-R562 PolarHBondContact O-N 3.09Å; F560-L563 HydrophobicContact CD1-CD2 4.49Å; F560-L563 PolarHBondContact O-N 3.25Å; F560-L564 VanDerWaalsContact O-CB 3.27Å; F560-L564 WeakPolarHBondContact O-CB 3.33Å; F560-L564 WeakPolarHBondContact O-CG 3.4Å; F560-L564 PolarHBondContact O-N 3.28Å |
| 561 | D | 90.5 | Very high | 88.6 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.4 | -45.8 | 175.1 | -172.1 | 44.5 | 0 | 0 | 0 | 111.1 | Q543 S557 L564 E565 | Q543-D561 WeakPolarHBondContact CG-OD1 2.93Å; Q543-D561 PolarHBondContact NE2-OD1 3.19Å; S557-D561 VanDerWaalsContact O-CB 3.24Å; S557-D561 WeakPolarHBondContact O-CB 3.42Å; S557-D561 PolarHBondContact O-N 3.42Å; D561-L564 PolarHBondContact O-N 3.16Å; D561-E565 WeakPolarHBondContact O-CG 3.33Å; D561-E565 PolarHBondContact O-N 2.94Å; D561-E565 VanDerWaalsContact O-N 3.1Å |
| 562 | R | 89.4 | Confident | 88.2 | Confident | 175 Ų | 175 | 67.1 Ų | 67.1 | 66% | 0.66 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.4 | -40.2 | 175.2 | -64.7 | -64.2 | 178.9 | 162.1 | -0.5 | 113.3 | C558 E559 F560 E565 A566 | C558-R562 WeakPolarHBondContact O-CG 3.28Å; C558-R562 PolarHBondContact O-N 3.26Å; E559-R562 PolarHBondContact O-N 2.9Å; F560-R562 VanDerWaalsContact C-N 3.31Å; F560-R562 PolarHBondContact O-N 3.09Å; R562-E565 IonicContact NH1-OE2 2.84Å; R562-E565 PolarHBondContact O-N 2.94Å; R562-A566 PolarHBondContact O-N 2.88Å |
| 563 | L | 89.7 | Confident | 88.1 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 17% | 0.168 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 176.5 | -179.1 | 64.1 | 0 | 0 | 0 | 111.7 | E559 F560 E565 A566 L573 L574 | E559-L563 WeakPolarHBondContact O-CB 3.45Å; E559-L563 PolarHBondContact O-N 3.07Å; F560-L563 HydrophobicContact CD1-CD2 4.49Å; F560-L563 PolarHBondContact O-N 3.25Å; L563-E565 VanDerWaalsContact C-N 3.3Å; L563-E565 PolarHBondContact O-N 2.91Å; L563-A566 PolarHBondContact O-N 2.81Å; L563-L573 HydrophobicContact CD1-CB 4.37Å; L563-L573 HydrophobicContact CD1-CD1 3.51Å; L563-L574 HydrophobicContact CD2-CD1 4.14Å; L563-L574 HydrophobicContact CD2-CD2 4.18Å; L563-L574 HydrophobicContact CD2-CG 4.08Å |
| 564 | L | 85.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.7 | -24.1 | 178.4 | -69.6 | -179.6 | 0 | 0 | 0 | 112.4 | C528 I538 R539 V542 F560 D561 R570 | C528-L564 HydrophobicContact CB-CD2 3.56Å; C528-L564 VanDerWaalsContact SG-CD2 3.51Å; I538-L564 HydrophobicContact CG2-CD1 4.5Å; R539-L564 PolarHBondContact NH2-O 3.41Å; V542-L564 HydrophobicContact CG2-CD1 4.32Å; F560-L564 VanDerWaalsContact O-CB 3.27Å; F560-L564 WeakPolarHBondContact O-CB 3.33Å; F560-L564 WeakPolarHBondContact O-CG 3.4Å; F560-L564 PolarHBondContact O-N 3.28Å; D561-L564 PolarHBondContact O-N 3.16Å; L564-R570 HydrophobicContact CD2-CG 4.38Å |
| 565 | E | 85.2 | Confident | 87.6 | Confident | 108 Ų | 108 | 71.4 Ų | 71.4 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 167.8 | -72.4 | -179.5 | 160.1 | 0 | 0 | 111.9 | D561 R562 L563 K567 | D561-E565 WeakPolarHBondContact O-CG 3.33Å; D561-E565 PolarHBondContact O-N 2.94Å; D561-E565 VanDerWaalsContact O-N 3.1Å; R562-E565 IonicContact NH1-OE2 2.84Å; R562-E565 PolarHBondContact O-N 2.94Å; L563-E565 VanDerWaalsContact C-N 3.3Å; L563-E565 PolarHBondContact O-N 2.91Å; E565-K567 PolarHBondContact O-N 2.82Å |
| 566 | A | 84.3 | Confident | 87.3 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | trans | -81.6 | 70.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | R562 L563 N568 L569 R570 | R562-A566 PolarHBondContact O-N 2.88Å; L563-A566 PolarHBondContact O-N 2.81Å; A566-N568 PolarHBondContact O-N 3.14Å; A566-L569 HydrophobicContact CB-CB 4.49Å; A566-L569 HydrophobicContact CB-CD1 4.5Å; A566-L569 PolarHBondContact O-N 3.13Å; A566-R570 PolarHBondContact O-N 3.46Å; A566-R570 VanDerWaalsContact O-N 3.07Å | ||
| 567 | K | 78.7 | Confident | 87.1 | Confident | 113 Ų | 113 | 73.4 Ų | 73.4 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -50.4 | -34.4 | -176.3 | -63.5 | -166.8 | 178.9 | -141.6 | 0 | 114.8 | E535 E565 L569 | E535-K567 WeakPolarHBondContact OE1-CE 3.42Å; E535-K567 IonicContact OE1-NZ 3.31Å; E535-K567 PolarHBondContact OE1-NZ 2.84Å; E535-K567 IonicContact OE2-NZ 3.89Å; E535-K567 PolarHBondContact OE2-NZ 3.27Å; E565-K567 PolarHBondContact O-N 2.82Å; K567-L569 VanDerWaalsContact C-N 3.34Å; K567-L569 PolarHBondContact O-N 3.36Å |
| 568 | N | 80.4 | Confident | 86.9 | Confident | 134 Ų | 134 | 78.6 Ų | 78.6 | 72% | 0.717 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -69.3 | -26 | -180 | 60.2 | -38.7 | 0 | 0 | 0 | 114.2 | A566 | A566-N568 PolarHBondContact O-N 3.14Å |
| 569 | L | 84.6 | Confident | 86.4 | Confident | 94 Ų | 94 | 80.2 Ų | 80.2 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -101.5 | -26 | 179.7 | -66 | 173.4 | 0 | 0 | 0 | 112.4 | A566 K567 D571 A572 L573 | A566-L569 HydrophobicContact CB-CB 4.49Å; A566-L569 HydrophobicContact CB-CD1 4.5Å; A566-L569 PolarHBondContact O-N 3.13Å; K567-L569 VanDerWaalsContact C-N 3.34Å; K567-L569 PolarHBondContact O-N 3.36Å; L569-D571 PolarHBondContact O-N 2.65Å; L569-A572 PolarHBondContact O-N 2.94Å; L569-L573 HydrophobicContact CB-CD1 4.25Å; L569-L573 WeakPolarHBondContact O-CG 3.46Å; L569-L573 PolarHBondContact O-N 3.32Å; L569-L573 VanDerWaalsContact O-N 3.14Å |
| 570 | R | 83.4 | Confident | 85.6 | Confident | 21 Ų | 21 | 78.8 Ų | 78.8 | 8% | 0.079 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -52.6 | -53.7 | -176.3 | -175.4 | -167.5 | 67.5 | -174.9 | -2.4 | 112.7 | T529 E535 L564 A566 A572 L573 L574 | T529-R570 HydrophobicContact CG2-CG 3.74Å; E535-R570 IonicContact OE2-CZ 3.75Å; E535-R570 IonicContact OE2-NH1 2.72Å; E535-R570 PolarHBondContact OE2-NH1 2.8Å; L564-R570 HydrophobicContact CD2-CG 4.38Å; A566-R570 PolarHBondContact O-N 3.46Å; A566-R570 VanDerWaalsContact O-N 3.07Å; R570-A572 VanDerWaalsContact C-N 3.32Å; R570-A572 PolarHBondContact O-N 2.91Å; R570-L573 PolarHBondContact O-N 3.15Å; R570-L574 HydrophobicContact CG-CD1 3.8Å; R570-L574 WeakPolarHBondContact O-CB 3.39Å; R570-L574 PolarHBondContact O-N 3.32Å |
| 571 | D | 81.8 | Confident | 84.2 | Confident | 79 Ų | 79 | 82.9 Ų | 82.9 | 42% | 0.422 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.8 | -35.3 | -171 | -60.2 | -14.2 | 0 | 0 | 0 | 111.2 | T529 L569 E575 | T529-D571 WeakPolarHBondContact CG2-OD1 3.31Å; L569-D571 PolarHBondContact O-N 2.65Å; D571-E575 PolarHBondContact O-N 2.8Å |
| 572 | A | 84.7 | Confident | 82.6 | Confident | 82 Ų | 82 | 86.7 Ų | 86.7 | 68% | 0.678 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -72 | -33.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L569 R570 | L569-A572 PolarHBondContact O-N 2.94Å; R570-A572 VanDerWaalsContact C-N 3.32Å; R570-A572 PolarHBondContact O-N 2.91Å |
| 573 | L | 88.5 | Confident | 80.9 | Confident | 118 Ų | 118 | 86.9 Ų | 86.9 | 62% | 0.618 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -86.6 | -24.1 | -177.6 | -71.4 | 171.4 | 0 | 0 | 0 | 113.6 | L563 L569 R570 | L563-L573 HydrophobicContact CD1-CB 4.37Å; L563-L573 HydrophobicContact CD1-CD1 3.51Å; L569-L573 HydrophobicContact CB-CD1 4.25Å; L569-L573 WeakPolarHBondContact O-CG 3.46Å; L569-L573 PolarHBondContact O-N 3.32Å; L569-L573 VanDerWaalsContact O-N 3.14Å; R570-L573 PolarHBondContact O-N 3.15Å |
| 574 | L | 87.3 | Confident | 79 | Confident | 13 Ų | 13 | 88.7 Ų | 88.7 | 7% | 0.068 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -106.4 | 19.8 | -178.7 | -62.8 | 175.4 | 0 | 0 | 0 | 113.4 | S525 K526 T529 R530 L563 R570 | S525-L574 WeakPolarHBondContact O-CD1 3.31Å; K526-L574 HydrophobicContact CG-CD2 4.18Å; T529-L574 HydrophobicContact CG2-CB 3.76Å; T529-L574 HydrophobicContact CG2-CD1 3.95Å; T529-L574 HydrophobicContact CG2-CG 4.48Å; R530-L574 PolarHBondContact NH1-O 2.82Å; L563-L574 HydrophobicContact CD2-CD1 4.14Å; L563-L574 HydrophobicContact CD2-CD2 4.18Å; L563-L574 HydrophobicContact CD2-CG 4.08Å; R570-L574 HydrophobicContact CG-CD1 3.8Å; R570-L574 WeakPolarHBondContact O-CB 3.39Å; R570-L574 PolarHBondContact O-N 3.32Å |
| 575 | E | 87.4 | Confident | 77.4 | Confident | 131 Ų | 131 | 89 Ų | 89 | 61% | 0.612 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -58.8 | 160.3 | 167.3 | -167.3 | 55.2 | -122.9 | 0 | 0 | 110.6 | D571 M577 | D571-E575 PolarHBondContact O-N 2.8Å; E575-M577 PolarHBondContact O-N 2.96Å |
| 576 | R | 88.1 | Confident | 75.3 | Confident | 91 Ų | 91 | 86.7 Ų | 86.7 | 34% | 0.343 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 135.4 | -179.7 | -67 | -176.9 | -179.5 | -174.3 | 0.7 | 111.1 | E475 D478 | E475-R576 WeakPolarHBondContact OE2-CA 3.38Å; D478-R576 VanDerWaalsContact CG-NH2 3.3Å; D478-R576 IonicContact OD1-NH2 3.82Å; D478-R576 PolarHBondContact OD1-NH2 2.69Å; D478-R576 VanDerWaalsContact OD1-NH2 3.14Å; D478-R576 IonicContact OD2-CZ 3.07Å; D478-R576 IonicContact OD2-NH2 2.76Å; D478-R576 PolarHBondContact OD2-NH2 2.95Å |
| 577 | M | 89.4 | Confident | 73.1 | Confident | 115 Ų | 115 | 90 Ų | 90 | 57% | 0.567 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -63 | 143.8 | 178.2 | -74 | -70.6 | -169.1 | 0 | 0 | 111.3 | E475 E575 | E475-M577 WeakPolarHBondContact OE1-CG 3.5Å; E475-M577 PolarHBondContact OE2-N 2.91Å; E575-M577 PolarHBondContact O-N 2.96Å |
| 578 | P | 86.8 | Confident | 71 | Confident | 109 Ų | 109 | 86.8 Ų | 86.8 | 71% | 0.708 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 148.8 | 171.1 | -23.6 | 33.3 | 0 | 0 | 0 | 111.9 | I580 | P578-I580 PolarHBondContact O-N 3.16Š|
| 579 | V | 82.6 | Confident | 69 | Low | 83 Ų | 83 | 81.4 Ų | 81.4 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 128 | 179.2 | 180 | 0 | 0 | 0 | 0 | 110.3 | E439 T581 | E439-V579 HydrophobicContact CG-CG1 4.08Å; V579-T581 PolarHBondContact O-N 3.2Å |
| 580 | I | 77.2 | Confident | 66.5 | Low | 74 Ų | 74 | 78.9 Ų | 78.9 | 38% | 0.379 | 45% | 0.446 | S | S | . | . | trans | -68.4 | 113.5 | 178.4 | -56.7 | 169.9 | 0 | 0 | 0 | 108.1 | I434 Q435 P578 | I434-I580 HydrophobicContact CG2-CD1 4.04Å; Q435-I580 HydrophobicContact CG-CB 4.26Å; Q435-I580 HydrophobicContact CG-CG2 4.18Å; P578-I580 PolarHBondContact O-N 3.16Å | ||
| 581 | T | 62.4 | Low | 64.1 | Low | 114 Ų | 114 | 81.9 Ų | 81.9 | 70% | 0.699 | 47% | 0.47 | S | S | * | . | trans | -107.9 | 123.4 | 177.1 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | V579 | V579-T581 PolarHBondContact O-N 3.2Š| ||
| 582 | S | 58.3 | Low | 61.9 | Low | 104 Ų | 104 | 85.6 Ų | 85.6 | 73% | 0.727 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 101.1 | 99.6 | 166.1 | -51.8 | 0 | 0 | 0 | 0 | 120.2 | S584 | S582-S584 PolarHBondContact O-N 3.08Š|
| 583 | R | 53.8 | Low | 59.5 | Low | 179 Ų | 179 | 88.8 Ų | 88.8 | 68% | 0.675 | 49% | 0.488 | S | S | * | . | trans | 28.1 | 72.9 | 135.5 | -63.9 | 177.2 | 178.9 | 176.1 | 5.2 | 120.2 | N586 | R583-N586 WeakPolarHBondContact CD-ND2 3.33Š| ||
| 584 | S | 48.2 | Very low | 56.6 | Low | 70 Ų | 70 | 87.1 Ų | 87.1 | 49% | 0.49 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -79.9 | -36.4 | 165 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | S582 N586 V587 | S582-S584 PolarHBondContact O-N 3.08Å; S584-N586 VanDerWaalsContact C-N 3.34Å; S584-N586 PolarHBondContact O-N 3.18Å; S584-V587 PolarHBondContact O-N 3.4Å; S584-V587 VanDerWaalsContact O-N 3.16Å |
| 585 | L | 51.9 | Low | 53.8 | Low | 7 Ų | 7 | 89.5 Ų | 89.5 | 4% | 0.037 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -65.1 | -32.2 | -177 | -89.8 | 170.3 | 0 | 0 | 0 | 114.2 | Y397 D428 S432 V587 A588 V589 | Y397-L585 HydrophobicContact CD1-CD1 3.22Å; Y397-L585 HydrophobicContact CE1-CD1 3.36Å; Y397-L585 HydrophobicContact CG-CD1 4.11Å; D428-L585 HydrophobicContact CB-CD2 3.87Å; D428-L585 WeakPolarHBondContact OD2-CD2 3.43Å; S432-L585 VanDerWaalsContact CB-CD1 3.47Å; S432-L585 WeakPolarHBondContact OG-CD1 3.46Å; S432-L585 WeakPolarHBondContact OG-CG 3.41Å; L585-V587 PolarHBondContact O-N 2.81Å; L585-V587 VanDerWaalsContact O-N 3.14Å; L585-A588 PolarHBondContact O-N 3.22Å; L585-A588 VanDerWaalsContact O-N 3.16Å; L585-V589 VanDerWaalsContact O-CG2 3.24Å; L585-V589 WeakPolarHBondContact O-CG2 3.4Å; L585-V589 PolarHBondContact O-N 2.92Å |
| 586 | N | 42.5 | Very low | 50.9 | Low | 60 Ų | 60 | 90.7 Ų | 90.7 | 32% | 0.321 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -20.4 | 178.2 | -75.2 | -47 | 0 | 0 | 0 | 113 | R583 S584 A590 | R583-N586 WeakPolarHBondContact CD-ND2 3.33Å; S584-N586 VanDerWaalsContact C-N 3.34Å; S584-N586 PolarHBondContact O-N 3.18Å; N586-A590 VanDerWaalsContact O-CB 3.26Å; N586-A590 WeakPolarHBondContact O-CB 3.46Å; N586-A590 PolarHBondContact O-N 2.9Å; N586-A590 VanDerWaalsContact O-N 3.17Å |
| 587 | V | 36.5 | Very low | 48 | Very low | 99 Ų | 99 | 89.6 Ų | 89.6 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -84.4 | -35.3 | 175.8 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | S584 L585 S591 | S584-V587 PolarHBondContact O-N 3.4Å; S584-V587 VanDerWaalsContact O-N 3.16Å; L585-V587 PolarHBondContact O-N 2.81Å; L585-V587 VanDerWaalsContact O-N 3.14Å; V587-S591 PolarHBondContact O-N 3.34Å; V587-S591 PolarHBondContact O-OG 2.86Å |
| 588 | A | 34.4 | Very low | 45.1 | Very low | 45 Ų | 45 | 88.6 Ų | 88.6 | 37% | 0.372 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.2 | -37.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L585 S591 M592 | L585-A588 PolarHBondContact O-N 3.22Å; L585-A588 VanDerWaalsContact O-N 3.16Å; A588-S591 WeakPolarHBondContact O-CB 3.16Å; A588-S591 PolarHBondContact O-N 2.93Å; A588-M592 PolarHBondContact O-N 3.43Å; A588-M592 VanDerWaalsContact O-N 3.15Å |
| 589 | V | 39.7 | Very low | 42.2 | Very low | 21 Ų | 21 | 88.8 Ų | 88.8 | 13% | 0.127 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -71.8 | -37.5 | 176.1 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | I398 L585 S591 M592 E593 | I398-V589 HydrophobicContact CD1-CB 4.45Å; I398-V589 HydrophobicContact CD1-CG1 4.39Å; I398-V589 HydrophobicContact CD1-CG2 3.21Å; I398-V589 HydrophobicContact CG1-CG2 3.91Å; L585-V589 VanDerWaalsContact O-CG2 3.24Å; L585-V589 WeakPolarHBondContact O-CG2 3.4Å; L585-V589 PolarHBondContact O-N 2.92Å; V589-S591 PolarHBondContact O-N 3.35Å; V589-M592 PolarHBondContact O-N 3.34Å; V589-M592 VanDerWaalsContact O-N 3.1Å; V589-E593 HydrophobicContact CG1-CG 4.4Å; V589-E593 PolarHBondContact O-N 2.73Å |
| 590 | A | 32.1 | Very low | 39.5 | Very low | 42 Ų | 42 | 90.6 Ų | 90.6 | 35% | 0.347 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63 | -21.4 | 171 | 0 | 0 | 0 | 0 | 0 | 113.2 | N586 N594 | N586-A590 VanDerWaalsContact O-CB 3.26Å; N586-A590 WeakPolarHBondContact O-CB 3.46Å; N586-A590 PolarHBondContact O-N 2.9Å; N586-A590 VanDerWaalsContact O-N 3.17Å; A590-N594 WeakPolarHBondContact O-CB 3.39Å; A590-N594 PolarHBondContact O-N 3.01Å; A590-N594 PolarHBondContact O-ND2 3.07Å |
| 591 | S | 32.3 | Very low | 37.1 | Very low | 83 Ų | 83 | 93.8 Ų | 93.8 | 58% | 0.58 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -85.4 | -25.1 | 175.5 | -53.1 | 0 | 0 | 0 | 0 | 112.7 | V587 A588 V589 | V587-S591 PolarHBondContact O-N 3.34Å; V587-S591 PolarHBondContact O-OG 2.86Å; A588-S591 WeakPolarHBondContact O-CB 3.16Å; A588-S591 PolarHBondContact O-N 2.93Å; V589-S591 PolarHBondContact O-N 3.35Å |
| 592 | M | 34.7 | Very low | 35.5 | Very low | 158 Ų | 158 | 96.8 Ų | 96.8 | 78% | 0.778 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -85.6 | -29.9 | 171.3 | -67.2 | -165 | -171 | 0 | 0 | 112.8 | A588 V589 N594 | A588-M592 PolarHBondContact O-N 3.43Å; A588-M592 VanDerWaalsContact O-N 3.15Å; V589-M592 PolarHBondContact O-N 3.34Å; V589-M592 VanDerWaalsContact O-N 3.1Å; M592-N594 VanDerWaalsContact C-N 3.3Å; M592-N594 PolarHBondContact O-N 3.48Å |
| 593 | E | 34.8 | Very low | 33.9 | Very low | 149 Ų | 149 | 98.9 Ų | 98.9 | 70% | 0.696 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -8.9 | 173.9 | -72.9 | -176.4 | 164.5 | 0 | 0 | 113.5 | V589 | V589-E593 HydrophobicContact CG1-CG 4.4Å; V589-E593 PolarHBondContact O-N 2.73Å |
| 594 | N | 28.1 | Very low | 32.5 | Very low | 83 Ų | 83 | 99 Ų | 99 | 44% | 0.444 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.3 | 27.4 | 178.9 | -73 | -70.3 | 0 | 0 | 0 | 114.3 | A590 M592 D596 K639 | A590-N594 WeakPolarHBondContact O-CB 3.39Å; A590-N594 PolarHBondContact O-N 3.01Å; A590-N594 PolarHBondContact O-ND2 3.07Å; M592-N594 VanDerWaalsContact C-N 3.3Å; M592-N594 PolarHBondContact O-N 3.48Å; N594-D596 PolarHBondContact O-N 3.03Å; N594-K639 WeakPolarHBondContact OD1-CE 3.46Å |
| 595 | G | 27.6 | Very low | 31.5 | Very low | 62 Ų | 62 | 101.9 Ų | 101.9 | 64% | 0.639 | 61% | 0.608 | S | S | * | * | trans | -63.1 | -4.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 596 | D | 26.8 | Very low | 30.2 | Very low | 156 Ų | 156 | 106.9 Ų | 106.9 | 83% | 0.834 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -132.4 | 78.2 | 173.8 | -76.9 | -41 | 0 | 0 | 0 | 110.4 | N594 | N594-D596 PolarHBondContact O-N 3.03Š|
| 597 | A | 27.2 | Very low | 29.3 | Very low | 68 Ų | 68 | 111.4 Ų | 111.4 | 56% | 0.562 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 160.5 | 130.5 | 144.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 598 | A | 30.1 | Very low | 28.8 | Very low | 95 Ų | 95 | 112.3 Ų | 112.3 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | trans | 105 | 81.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 599 | S | 24 | Very low | 28.3 | Very low | 113 Ų | 113 | 114.1 Ų | 114.1 | 79% | 0.79 | 68% | 0.68 | S | S | * | * | trans | -91.8 | 95 | 143.2 | 54.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 600 | T | 27.2 | Very low | 27.7 | Very low | 121 Ų | 121 | 121.3 Ų | 121.3 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | trans | -165.5 | 131.6 | 149.6 | -7.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 601 | D | 26 | Very low | 27.4 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | 72.8 | 104.2 | 159.5 | -57.7 | -25.2 | 0 | 0 | 0 | 119.3 | ||||
| 602 | L | 29.6 | Very low | 27.1 | Very low | 176 Ų | 176 | 129 Ų | 129 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | -161.7 | 94.4 | 116.7 | -94.4 | 161.1 | 0 | 0 | 0 | 109.4 | |||||
| 603 | N | 23.4 | Very low | 26.6 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -65.7 | 149.1 | 153.2 | -94.8 | -35 | 0 | 0 | 0 | 109.1 | ||||
| 604 | Q | 26.2 | Very low | 26 | Very low | 180 Ų | 180 | 125.4 Ų | 125.4 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | trans | 89.3 | 99.2 | 172.8 | -53.1 | -178.9 | 2.1 | 0 | 0 | 115.7 | ||||
| 605 | V | 27.3 | Very low | 25.9 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | 167.9 | 106.8 | 110.9 | 165.9 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 606 | S | 24.7 | Very low | 25.7 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | 62 | 106.3 | 145.3 | -32.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 607 | E | 21.8 | Very low | 25.6 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | -50.3 | 157.2 | 149.3 | -92.2 | -126.6 | -161.6 | 0 | 0 | 113.4 | S609 | E607-S609 PolarHBondContact OE2-N 3.09Å; E607-S609 PolarHBondContact OE2-OG 3.18Å | ||
| 608 | P | 25.9 | Very low | 25.4 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | -139.4 | 135.4 | 61.1 | 32.3 | -10.7 | 0 | 0 | 0 | 118.4 | |||||
| 609 | S | 24 | Very low | 25.1 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 58% | 0.58 | 80% | 0.795 | S | S | * | * | 48.5 | 113.2 | 121.4 | -39.7 | 0 | 0 | 0 | 0 | 119.7 | E607 | E607-S609 PolarHBondContact OE2-N 3.09Å; E607-S609 PolarHBondContact OE2-OG 3.18Å | |||
| 610 | E | 27.8 | Very low | 25.2 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | 176.6 | 120.5 | 99.2 | -94.4 | -170.1 | 169.4 | 0 | 0 | 114 | |||||
| 611 | L | 26.8 | Very low | 25.1 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | 82.1 | 77 | 136.8 | -74.8 | 151.4 | 0 | 0 | 0 | 122.2 | ||||
| 612 | L | 24.9 | Very low | 25.2 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | 31 | 146.8 | 100.8 | -66.3 | 170.5 | 0 | 0 | 0 | 118.4 | |||||
| 613 | L | 24 | Very low | 25 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | cis | 174.8 | 134.9 | -1.3 | -178.1 | 75.6 | 0 | 0 | 0 | 103.2 | ||||
| 614 | G | 23.1 | Very low | 25.2 | Very low | 71 Ų | 71 | 130.9 Ų | 130.9 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | 124.9 | 110.3 | 97.8 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 615 | G | 25.2 | Very low | 25.3 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | -126.2 | 110.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 616 | L | 23.5 | Very low | 25.3 | Very low | 181 Ų | 181 | 123.6 Ų | 123.6 | 95% | 0.948 | 76% | 0.757 | S | S | * | * | trans | -66.7 | 132.9 | -176 | -67.1 | 143.5 | 0 | 0 | 0 | 112.1 | ||||
| 617 | A | 25.5 | Very low | 25.5 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | trans | -108.9 | 127 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 618 | E | 22.4 | Very low | 26 | Very low | 190 Ų | 190 | 124.5 Ų | 124.5 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -71.8 | 140.4 | 178.1 | -62.7 | 168.7 | 136.1 | 0 | 0 | 112.3 | ||||
| 619 | S | 24.8 | Very low | 26.1 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 177.1 | 106.8 | 144.3 | 38.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 620 | A | 25.9 | Very low | 26.4 | Very low | 102 Ų | 102 | 129 Ų | 129 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | 72.8 | 94 | 79.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 621 | G | 24.3 | Very low | 26.3 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | 73.9 | 125.8 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | D623 | G621-D623 PolarHBondContact O-N 2.88Š| ||
| 622 | P | 27.5 | Very low | 26.4 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -81.8 | 95.6 | 168.3 | 32.8 | -27.7 | 0 | 0 | 0 | 109.8 | R624 | P622-R624 HydrophobicContact CB-CG 4.48Å; P622-R624 PolarHBondContact O-N 3.16Å | ||
| 623 | D | 26.4 | Very low | 26.5 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | -70.7 | 78.1 | 163.2 | -96.1 | -18.3 | 0 | 0 | 0 | 109.6 | G621 T625 | G621-D623 PolarHBondContact O-N 2.88Å; D623-T625 PolarHBondContact O-N 2.7Å; D623-T625 VanDerWaalsContact O-N 3.08Å | ||
| 624 | R | 27.2 | Very low | 26.7 | Very low | 179 Ų | 179 | 129 Ų | 129 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 66.1 | 170.3 | -76.6 | -177.8 | 165.6 | 179.1 | -5 | 110.5 | P622 | P622-R624 HydrophobicContact CB-CG 4.48Å; P622-R624 PolarHBondContact O-N 3.16Å |
| 625 | T | 27.6 | Very low | 27 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 56% | 0.564 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.2 | 10.2 | 167.2 | 35.9 | 0 | 0 | 0 | 0 | 114.8 | M50 D623 | M50-T625 HydrophobicContact CG-CG2 4.11Å; M50-T625 WeakPolarHBondContact O-CG2 3.47Å; D623-T625 PolarHBondContact O-N 2.7Å; D623-T625 VanDerWaalsContact O-N 3.08Å |
| 626 | A | 29.1 | Very low | 27.2 | Very low | 66 Ų | 66 | 130.3 Ų | 130.3 | 55% | 0.545 | 76% | 0.757 | S | S | . | * | S | Bend | trans | -109.3 | -4.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L628 | A626-L628 VanDerWaalsContact C-N 3.27Å; A626-L628 PolarHBondContact O-N 2.64Å |
| 627 | D | 27.7 | Very low | 27.5 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 12.9 | -175.5 | -86.4 | -21.1 | 0 | 0 | 0 | 115.5 | ||
| 628 | L | 31.9 | Very low | 27.7 | Very low | 160 Ų | 160 | 126.1 Ų | 126.1 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 3.2 | 174.4 | -141.1 | 86.7 | 0 | 0 | 0 | 113.9 | A626 | A626-L628 VanDerWaalsContact C-N 3.27Å; A626-L628 PolarHBondContact O-N 2.64Å |
| 629 | L | 29 | Very low | 28 | Very low | 165 Ų | 165 | 124.5 Ų | 124.5 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -127.6 | 1.7 | 179.5 | -93.3 | 156.5 | 0 | 0 | 0 | 114.2 | ||
| 630 | L | 29.3 | Very low | 28 | Very low | 131 Ų | 131 | 124 Ų | 124 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | trans | -104 | 44.2 | 179.4 | -77.2 | 170.5 | 0 | 0 | 0 | 113.1 | ||||
| 631 | L | 27.3 | Very low | 28 | Very low | 157 Ų | 157 | 124 Ų | 124 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | -119.2 | 46.6 | 171.1 | -83.4 | 168.9 | 0 | 0 | 0 | 111.3 | ||||
| 632 | M | 28.2 | Very low | 28.2 | Very low | 162 Ų | 162 | 125.3 Ų | 125.3 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -147.8 | 113.4 | 166.3 | -60.8 | -165.3 | 78 | 0 | 0 | 108.7 | ||
| 633 | N | 27.7 | Very low | 28.2 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | 95 | 121 | -171.7 | -51.7 | -13.1 | 0 | 0 | 0 | 111 | ||||
| 634 | D | 28.3 | Very low | 28.3 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | cis | -147.3 | 160.8 | 38.3 | -84.7 | -52.6 | 0 | 0 | 0 | 113.8 | ||||
| 635 | A | 29.3 | Very low | 28.3 | Very low | 63 Ų | 63 | 125.3 Ų | 125.3 | 52% | 0.521 | 75% | 0.75 | S | S | . | * | trans | -114 | 143.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 636 | P | 27.7 | Very low | 28.3 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | -94.8 | 162.3 | -174.7 | 37.6 | -32.6 | 0 | 0 | 0 | 112.5 | ||||
| 637 | P | 30.8 | Very low | 28.1 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 60% | 0.604 | 77% | 0.773 | S | S | * | * | trans | -130.6 | 139.4 | 152.9 | 34.8 | -20.5 | 0 | 0 | 0 | 114.4 | ||||
| 638 | A | 30.1 | Very low | 28.1 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -74.6 | 149.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 639 | K | 27.5 | Very low | 27.8 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | trans | -72.9 | 142.2 | 179.3 | -70 | 172.2 | 175.8 | 171.9 | 0 | 112.5 | N594 | N594-K639 WeakPolarHBondContact OD1-CE 3.46Š| ||
| 640 | A | 25.6 | Very low | 27.7 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | -110.7 | 147.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 641 | A | 26.1 | Very low | 27.6 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -114.8 | 152.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 642 | A | 28.7 | Very low | 27.7 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | 87.2 | 94 | 157.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 643 | Q | 26.9 | Very low | 27.7 | Very low | 196 Ų | 196 | 125.9 Ų | 125.9 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | 55 | 152 | 109.2 | -79.8 | -169.4 | -13.1 | 0 | 0 | 122.9 | |||||
| 644 | P | 27.9 | Very low | 27.9 | Very low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | trans | -117.4 | 172.7 | -133.1 | 42.1 | -31.6 | 0 | 0 | 0 | 114.7 | ||||
| 645 | T | 27.1 | Very low | 28.1 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | trans | -165.7 | 132.5 | 156.4 | 11.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 646 | S | 29.2 | Very low | 28.2 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 82.6 | 101.9 | 138.8 | -48.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 647 | E | 23.9 | Very low | 28.6 | Very low | 187 Ų | 187 | 139.1 Ų | 139.1 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | 26 | 132.3 | 123.6 | -58.6 | -177.5 | 164 | 0 | 0 | 120.6 | |||||
| 648 | V | 28.3 | Very low | 28.5 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 87% | 0.873 | 81% | 0.814 | S | S | * | * | -174.4 | 148.2 | 114.6 | 153.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 649 | K | 24.7 | Very low | 28.5 | Very low | 186 Ų | 186 | 142 Ų | 142 | 81% | 0.809 | 81% | 0.809 | S | S | * | * | trans | -79.1 | 177.7 | -166.2 | -63.7 | 166.3 | 173.5 | 169.4 | 0 | 114.7 | ||||
| 650 | T | 27.1 | Very low | 28.7 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | 102.1 | 100.1 | 138.9 | 29.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 651 | S | 26.6 | Very low | 29 | Very low | 100 Ų | 100 | 146.5 Ų | 146.5 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | 77.3 | 127.8 | 116.4 | 64.1 | 0 | 0 | 0 | 0 | 122 | |||||
| 652 | S | 30 | Very low | 29.1 | Very low | 87 Ų | 87 | 146.5 Ų | 146.5 | 61% | 0.608 | 82% | 0.815 | S | S | * | * | 118 | 110.3 | 126.7 | 65.3 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 653 | N | 28.7 | Very low | 29.2 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | 55.8 | 107.8 | 129.6 | -59.6 | -3.1 | 0 | 0 | 0 | 119.9 | |||||
| 654 | Y | 32.5 | Very low | 29.2 | Very low | 231 Ų | 231 | 151.2 Ų | 151.2 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | -149.4 | 91.9 | 133.7 | -50 | -78.6 | 0 | 0 | 0 | 109.1 | ||||
| 655 | E | 30.8 | Very low | 29.5 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -74 | 118.6 | 151.1 | -73.5 | 176.7 | 144.1 | 0 | 0 | 106.9 | ||||
| 656 | D | 32.2 | Very low | 29.9 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | 168.9 | 94.2 | 147.6 | -102.7 | -16.2 | 0 | 0 | 0 | 109.2 | ||||
| 657 | L | 35.3 | Very low | 30.1 | Very low | 179 Ų | 179 | 150.3 Ų | 150.3 | 94% | 0.937 | 82% | 0.824 | S | S | * | * | trans | -175.3 | 54.5 | 151.8 | -101.5 | 154.2 | 0 | 0 | 0 | 109.3 | ||||
| 658 | L | 29.2 | Very low | 30.2 | Very low | 183 Ų | 183 | 149.1 Ų | 149.1 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | -87.7 | 133.5 | 156.4 | -85.8 | 166.1 | 0 | 0 | 0 | 107.8 | ||||
| 659 | G | 30.9 | Very low | 30.5 | Very low | 72 Ų | 72 | 147.7 Ų | 147.7 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 133 | 41.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 660 | L | 31.2 | Very low | 30.6 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -139.1 | 6 | 175.7 | -110.5 | 143.4 | 0 | 0 | 0 | 119 | ||
| 661 | F | 31.7 | Very low | 30.7 | Very low | 209 Ų | 209 | 142.4 Ų | 142.4 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -144 | 74.2 | 170.7 | -62.6 | -73.1 | 0 | 0 | 0 | 112 | ||
| 662 | A | 28.4 | Very low | 30.8 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -145.9 | 102.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 663 | E | 29.9 | Very low | 30.6 | Very low | 200 Ų | 200 | 144.9 Ų | 144.9 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | trans | -115.8 | 103.9 | 155.7 | -82.2 | -171 | 158 | 0 | 0 | 107.1 | ||||
| 664 | E | 27.1 | Very low | 30.7 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -97.6 | 150.1 | 148.6 | -75.9 | -173.7 | 161.1 | 0 | 0 | 107.4 | ||||
| 665 | P | 35.7 | Very low | 30.6 | Very low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | -146.6 | 177.5 | 127.4 | 43.3 | -27.3 | 0 | 0 | 0 | 112 | |||||
| 666 | P | 35.5 | Very low | 30.7 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | -130.7 | 175.4 | -103.8 | 23 | 4.2 | 0 | 0 | 0 | 114.7 | |||||
| 667 | A | 31.9 | Very low | 30.7 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | 52.3 | 119.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 668 | N | 27 | Very low | 30.4 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | 24.7 | 154.8 | 132.9 | -78.4 | -7.4 | 0 | 0 | 0 | 121.2 | ||||
| 669 | P | 33.7 | Very low | 30.5 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | cis | -144.4 | 174.3 | 23.2 | 35 | -11.3 | 0 | 0 | 0 | 117 | ||||
| 670 | A | 27.8 | Very low | 30.6 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | 25.6 | 135.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 671 | S | 28.8 | Very low | 30.5 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | 89.6 | 109.9 | 136.7 | 66.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 672 | S | 27.8 | Very low | 30.2 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | 67 | 125.7 | 130.5 | 51.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 673 | D | 26.5 | Very low | 30.2 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | 78.4 | 104.4 | 140.5 | -59.9 | -20.2 | 0 | 0 | 0 | 120.2 | ||||
| 674 | F | 31.4 | Very low | 30 | Very low | 218 Ų | 218 | 129.7 Ų | 129.7 | 96% | 0.956 | 79% | 0.788 | S | S | * | * | -140.9 | 116.8 | 128.7 | -138.5 | -95.1 | 0 | 0 | 0 | 111.4 | |||||
| 675 | T | 29.8 | Very low | 29.9 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | trans | -92.5 | 166.5 | -171.9 | -4.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 676 | A | 32.7 | Very low | 29.4 | Very low | 92 Ų | 92 | 127.4 Ų | 127.4 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | 85.3 | 91.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 677 | L | 33.6 | Very low | 29 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 97% | 0.974 | 79% | 0.79 | S | S | * | * | S | Bend | -142.9 | 117.1 | 123.8 | -144 | 96.8 | 0 | 0 | 0 | 110.2 | |||
| 678 | G | 28.8 | Very low | 29.2 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 110.2 | 62.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 679 | Q | 31.4 | Very low | 29.6 | Very low | 189 Ų | 189 | 130 Ų | 130 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -53.8 | 166.1 | 161.7 | -70.9 | 169.1 | -41.1 | 0 | 0 | 112.6 | ||||
| 680 | V | 31.2 | Very low | 30.5 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | 101.4 | 95.1 | -178.8 | -175 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 681 | F | 29.2 | Very low | 31.9 | Very low | 193 Ų | 193 | 130 Ų | 130 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | cis | -146.4 | 132.5 | 25.8 | -82.4 | -85.2 | 0 | 0 | 0 | 110.5 | ||||
| 682 | T | 26.2 | Very low | 34 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | trans | -82.5 | 117.8 | 153.1 | 44.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 683 | A | 28.7 | Very low | 36.6 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | trans | -142.5 | 142.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 684 | A | 26.2 | Very low | 39.3 | Very low | 81 Ų | 81 | 128 Ų | 128 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -36.4 | 157.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | T686 | A684-T686 VanDerWaalsContact C-N 3.3Å; A684-T686 PolarHBondContact O-N 2.68Å |
| 685 | P | 24.6 | Very low | 41.4 | Very low | 135 Ų | 135 | 119.3 Ų | 119.3 | 88% | 0.877 | 70% | 0.702 | S | S | * | * | trans | -54.3 | 93.6 | -174.2 | 25.4 | -35.2 | 0 | 0 | 0 | 110.6 | Q687 | P685-Q687 VanDerWaalsContact C-N 3.32Å; P685-Q687 PolarHBondContact O-N 3.2Å | ||
| 686 | T | 25.2 | Very low | 43.8 | Very low | 123 Ų | 123 | 116.6 Ų | 116.6 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | -74.8 | 99.2 | 169.9 | 35.6 | 0 | 0 | 0 | 0 | 104.1 | A684 S688 | A684-T686 VanDerWaalsContact C-N 3.3Å; A684-T686 PolarHBondContact O-N 2.68Å; T686-S688 PolarHBondContact O-N 3.48Å | ||
| 687 | Q | 27 | Very low | 46.2 | Very low | 175 Ų | 175 | 117.4 Ų | 117.4 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | trans | -6.9 | 112.7 | 160.4 | -66 | 171 | -1.5 | 0 | 0 | 110.8 | P685 D689 | P685-Q687 VanDerWaalsContact C-N 3.32Å; P685-Q687 PolarHBondContact O-N 3.2Å; Q687-D689 PolarHBondContact O-N 3.17Å | ||
| 688 | S | 35.2 | Very low | 48.2 | Very low | 112 Ų | 112 | 114.3 Ų | 114.3 | 78% | 0.783 | 65% | 0.653 | S | S | * | * | trans | -48.2 | 114.2 | 168.2 | 52.7 | 0 | 0 | 0 | 0 | 106.5 | T686 S690 | T686-S688 PolarHBondContact O-N 3.48Å; S688-S690 PolarHBondContact O-N 3.31Å | ||
| 689 | D | 36.7 | Very low | 50.1 | Low | 141 Ų | 141 | 117.9 Ų | 117.9 | 75% | 0.754 | 66% | 0.655 | S | S | * | * | trans | -66.9 | 78.7 | -161.5 | -150.7 | 16.6 | 0 | 0 | 0 | 109.1 | Q687 K691 | Q687-D689 PolarHBondContact O-N 3.17Å; D689-K691 VanDerWaalsContact C-N 3.28Å; D689-K691 PolarHBondContact O-N 3.45Å | ||
| 690 | S | 51.1 | Low | 52.2 | Low | 56 Ų | 56 | 110 Ų | 110 | 39% | 0.392 | 62% | 0.624 | S | S | . | * | trans | -65.6 | 96.6 | 171.7 | 59.3 | 0 | 0 | 0 | 0 | 104.6 | S688 K692 | S688-S690 PolarHBondContact O-N 3.31Å; S690-K692 VanDerWaalsContact C-N 3.31Å; S690-K692 PolarHBondContact O-N 3.26Å | ||
| 691 | K | 58.7 | Low | 54.7 | Low | 149 Ų | 149 | 104.9 Ų | 104.9 | 65% | 0.648 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -61 | 102.2 | 171.8 | -83.9 | -176.9 | 176.3 | 178.8 | 0 | 106.9 | D689 L707 | D689-K691 VanDerWaalsContact C-N 3.28Å; D689-K691 PolarHBondContact O-N 3.45Å; K691-L707 HydrophobicContact CB-CD1 4.11Å; K691-L707 PolarHBondContact O-N 2.91Å |
| 692 | K | 73.2 | Confident | 57.4 | Low | 121 Ų | 121 | 96.8 Ų | 96.8 | 53% | 0.526 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 118.1 | 171.5 | -66.9 | -174.4 | -179 | -175.7 | 0 | 107.6 | S690 F705 | S690-K692 VanDerWaalsContact C-N 3.31Å; S690-K692 PolarHBondContact O-N 3.26Å; K692-F705 CarbonylContact C-O 3.59Å; K692-F705 VanDerWaalsContact CA-O 3.31Å; K692-F705 WeakPolarHBondContact CA-O 3.42Å |
| 693 | L | 81.7 | Confident | 60.3 | Low | 99 Ų | 99 | 90 Ų | 90 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121 | 173.7 | -175.7 | 77.6 | 0 | 0 | 0 | 108 | A695 F705 | L693-A695 PolarHBondContact O-N 3Å; L693-F705 HydrophobicContact CB-CB 4.34Å; L693-F705 HydrophobicContact CD2-CD2 4.37Å; L693-F705 PolarHBondContact N-O 3.24Å; L693-F705 PolarHBondContact O-N 3.26Å |
| 694 | V | 83 | Confident | 63.1 | Low | 83 Ų | 83 | 87.8 Ų | 87.8 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 108.2 | 170.2 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | N697 L702 | V694-N697 HydrophobicContact CG1-CB 3.96Å; V694-L702 HydrophobicContact CG1-CD1 3.69Å; V694-L702 HydrophobicContact CG2-CD1 4.44Å |
| 695 | A | 74.9 | Confident | 66 | Low | 36 Ų | 36 | 85 Ų | 85 | 30% | 0.298 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -30.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L693 I703 F705 L785 | L693-A695 PolarHBondContact O-N 3Å; A695-I703 HydrophobicContact CB-CG2 4.38Å; A695-I703 PolarHBondContact N-O 3.39Å; A695-F705 HydrophobicContact CB-CD1 4.13Å; A695-F705 HydrophobicContact CB-CD2 3.77Å; A695-F705 HydrophobicContact CB-CE1 3.84Å; A695-F705 HydrophobicContact CB-CE2 3.45Å; A695-F705 VanDerWaalsContact CB-CE2 3.45Å; A695-F705 HydrophobicContact CB-CG 4.1Å; A695-F705 HydrophobicContact CB-CZ 3.5Å; A695-F705 VanDerWaalsContact CB-CZ 3.5Å; A695-L785 HydrophobicContact CB-CD1 4.31Å |
| 696 | F | 81.2 | Confident | 69 | Low | 60 Ų | 60 | 78.9 Ų | 78.9 | 26% | 0.263 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 135.7 | -179.4 | -171.3 | -96.1 | 0 | 0 | 0 | 109.8 | E698 L701 I703 | F696-E698 HydrophobicContact CE1-CB 3.92Å; F696-E698 HydrophobicContact CE2-CB 4.39Å; F696-E698 HydrophobicContact CE2-CG 4.45Å; F696-E698 HydrophobicContact CZ-CB 3.72Å; F696-E698 HydrophobicContact CZ-CG 4.26Å; F696-L701 HydrophobicContact CD1-CD2 4.46Å; F696-L701 HydrophobicContact CE1-CD2 4.48Å; F696-I703 HydrophobicContact CB-CB 3.9Å; F696-I703 HydrophobicContact CB-CD1 3.78Å; F696-I703 HydrophobicContact CB-CG1 3.83Å; F696-I703 HydrophobicContact CD1-CD1 4.15Å; F696-I703 HydrophobicContact CD1-CG1 4.27Å; F696-I703 HydrophobicContact CG-CD1 4.2Å; F696-I703 HydrophobicContact CG-CG1 4.47Å; F696-I703 PolarHBondContact O-N 3.45Å |
| 697 | N | 82.3 | Confident | 71.7 | Confident | 108 Ų | 108 | 75.7 Ų | 75.7 | 58% | 0.578 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 75.4 | 178 | -175.5 | 13.5 | 0 | 0 | 0 | 109.8 | V694 L702 | V694-N697 HydrophobicContact CG1-CB 3.96Å; N697-L702 HydrophobicContact CB-CD1 4.02Å |
| 698 | E | 76.8 | Confident | 74 | Confident | 121 Ų | 121 | 70.5 Ų | 70.5 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152.8 | 176.3 | -62.4 | -170.6 | 157.3 | 0 | 0 | 110 | F696 G700 L701 | F696-E698 HydrophobicContact CE1-CB 3.92Å; F696-E698 HydrophobicContact CE2-CB 4.39Å; F696-E698 HydrophobicContact CE2-CG 4.45Å; F696-E698 HydrophobicContact CZ-CB 3.72Å; F696-E698 HydrophobicContact CZ-CG 4.26Å; E698-G700 PolarHBondContact O-N 3.21Å; E698-L701 PolarHBondContact N-O 3.25Å; E698-L701 PolarHBondContact O-N 3.49Å |
| 699 | D | 67.9 | Low | 75.3 | Confident | 148 Ų | 148 | 73 Ų | 73 | 79% | 0.791 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 28.7 | 175.7 | -62.4 | -32.7 | 0 | 0 | 0 | 116.2 | L701 | D699-L701 VanDerWaalsContact C-N 3.29Å; D699-L701 PolarHBondContact O-N 3.12Å |
| 700 | G | 75.3 | Confident | 76.2 | Confident | 24 Ų | 24 | 68 Ų | 68 | 25% | 0.247 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 2.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | E698 N726 S727 | E698-G700 PolarHBondContact O-N 3.21Å; G700-N726 WeakPolarHBondContact O-CA 3.47Å; G700-N726 WeakPolarHBondContact O-CB 3.47Å; G700-N726 PolarHBondContact O-N 3.11Å; G700-S727 PolarHBondContact O-N 3Å |
| 701 | L | 83.5 | Confident | 76.2 | Confident | 10 Ų | 10 | 70 Ų | 70 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 117.3 | 169.9 | -179.1 | 65.8 | 0 | 0 | 0 | 110 | F696 E698 D699 I703 F723 M731 F734 I756 | F696-L701 HydrophobicContact CD1-CD2 4.46Å; F696-L701 HydrophobicContact CE1-CD2 4.48Å; E698-L701 PolarHBondContact N-O 3.25Å; E698-L701 PolarHBondContact O-N 3.49Å; D699-L701 VanDerWaalsContact C-N 3.29Å; D699-L701 PolarHBondContact O-N 3.12Å; L701-I703 HydrophobicContact CD2-CD1 4.17Å; L701-I703 HydrophobicContact CD2-CG1 4.3Å; L701-I703 HydrophobicContact CG-CG1 4.14Å; L701-F723 HydrophobicContact CD1-CB 4.47Å; L701-M731 HydrophobicContact CB-CE 4.03Å; L701-M731 HydrophobicContact CB-SD 4.34Å; L701-M731 HydrophobicContact CD1-SD 3.94Å; L701-F734 HydrophobicContact CD2-CE2 3.73Å; L701-F734 HydrophobicContact CD2-CZ 4.42Å; L701-I756 HydrophobicContact CD1-CD1 4.04Å |
| 702 | L | 86 | Confident | 75.9 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.5 | 173.8 | 174 | 68.5 | 0 | 0 | 0 | 109.5 | V694 N697 E704 I724 | V694-L702 HydrophobicContact CG1-CD1 3.69Å; V694-L702 HydrophobicContact CG2-CD1 4.44Å; N697-L702 HydrophobicContact CB-CD1 4.02Å; L702-E704 HydrophobicContact CD1-CG 4.37Å; L702-E704 HydrophobicContact CD2-CG 4.2Å; L702-E704 HydrophobicContact CG-CG 4.03Å; L702-I724 HydrophobicContact CB-CB 4.16Å; L702-I724 HydrophobicContact CD2-CB 4.46Å; L702-I724 HydrophobicContact CD2-CD1 3.92Å; L702-I724 HydrophobicContact CG-CD1 4.48Å; L702-I724 PolarHBondContact N-O 3.09Å; L702-I724 PolarHBondContact O-N 3.33Å |
| 703 | I | 86.8 | Confident | 74.8 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 113.7 | 176.1 | -50.7 | -173.9 | 0 | 0 | 0 | 109 | A695 F696 L701 F705 V721 R722 F723 F736 | A695-I703 HydrophobicContact CB-CG2 4.38Å; A695-I703 PolarHBondContact N-O 3.39Å; F696-I703 HydrophobicContact CB-CB 3.9Å; F696-I703 HydrophobicContact CB-CD1 3.78Å; F696-I703 HydrophobicContact CB-CG1 3.83Å; F696-I703 HydrophobicContact CD1-CD1 4.15Å; F696-I703 HydrophobicContact CD1-CG1 4.27Å; F696-I703 HydrophobicContact CG-CD1 4.2Å; F696-I703 HydrophobicContact CG-CG1 4.47Å; F696-I703 PolarHBondContact O-N 3.45Å; L701-I703 HydrophobicContact CD2-CD1 4.17Å; L701-I703 HydrophobicContact CD2-CG1 4.3Å; L701-I703 HydrophobicContact CG-CG1 4.14Å; I703-F705 HydrophobicContact CG2-CD1 4.25Å; I703-F705 HydrophobicContact CG2-CE1 3.76Å; I703-V721 HydrophobicContact CG2-CG1 3.59Å; I703-R722 WeakPolarHBondContact CA-O 3.18Å; I703-F723 HydrophobicContact CD1-CD1 4.1Å; I703-F723 HydrophobicContact CD1-CE1 4.22Å; I703-F723 HydrophobicContact CG1-CD1 3.98Å; I703-F723 HydrophobicContact CG1-CE1 4.48Å; I703-F723 HydrophobicContact CG2-CD1 4.04Å; I703-F723 HydrophobicContact CG2-CE1 4.01Å; I703-F736 HydrophobicContact CD1-CD2 4.48Å; I703-F736 HydrophobicContact CD1-CE2 4.4Å |
| 704 | E | 88 | Confident | 73.6 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 17% | 0.168 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.2 | 178.1 | -58.6 | -172.5 | 132 | 0 | 0 | 110.8 | L702 V721 R722 I724 | L702-E704 HydrophobicContact CD1-CG 4.37Å; L702-E704 HydrophobicContact CD2-CG 4.2Å; L702-E704 HydrophobicContact CG-CG 4.03Å; E704-V721 CarbonylContact O-C 3.58Å; E704-V721 WeakPolarHBondContact O-CA 3.44Å; E704-R722 HydrophobicContact CB-CB 4.4Å; E704-R722 PolarHBondContact N-O 3.1Å; E704-R722 PolarHBondContact O-N 3.4Å; E704-I724 HydrophobicContact CG-CD1 4.45Å |
| 705 | F | 88.1 | Confident | 73 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 9% | 0.092 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.5 | 170.7 | -65.2 | -14.2 | 0 | 0 | 0 | 109.7 | K692 L693 A695 I703 I719 V721 F736 L785 | K692-F705 CarbonylContact C-O 3.59Å; K692-F705 VanDerWaalsContact CA-O 3.31Å; K692-F705 WeakPolarHBondContact CA-O 3.42Å; L693-F705 HydrophobicContact CB-CB 4.34Å; L693-F705 HydrophobicContact CD2-CD2 4.37Å; L693-F705 PolarHBondContact N-O 3.24Å; L693-F705 PolarHBondContact O-N 3.26Å; A695-F705 HydrophobicContact CB-CD1 4.13Å; A695-F705 HydrophobicContact CB-CD2 3.77Å; A695-F705 HydrophobicContact CB-CE1 3.84Å; A695-F705 HydrophobicContact CB-CE2 3.45Å; A695-F705 VanDerWaalsContact CB-CE2 3.45Å; A695-F705 HydrophobicContact CB-CG 4.1Å; A695-F705 HydrophobicContact CB-CZ 3.5Å; A695-F705 VanDerWaalsContact CB-CZ 3.5Å; I703-F705 HydrophobicContact CG2-CD1 4.25Å; I703-F705 HydrophobicContact CG2-CE1 3.76Å; F705-I719 HydrophobicContact CB-CG2 3.75Å; F705-I719 HydrophobicContact CD1-CG2 4.37Å; F705-I719 HydrophobicContact CD2-CG2 4.45Å; F705-I719 HydrophobicContact CG-CG2 3.96Å; F705-V721 HydrophobicContact CD1-CB 4.06Å; F705-V721 HydrophobicContact CD1-CG1 3.76Å; F705-V721 HydrophobicContact CD1-CG2 3.63Å; F705-V721 HydrophobicContact CE1-CB 4.12Å; F705-V721 HydrophobicContact CE1-CG1 3.54Å; F705-V721 HydrophobicContact CE1-CG2 3.58Å; F705-F736 HydrophobicContact CE1-CZ 4.04Å; F705-F736 HydrophobicContact CZ-CZ 4.02Å; F705-L785 HydrophobicContact CZ-CD1 4Å; F705-L785 HydrophobicContact CZ-CD2 4.38Å |
| 706 | S | 86 | Confident | 72.9 | Confident | 7 Ų | 7 | 70.9 Ų | 70.9 | 5% | 0.049 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 112.6 | 169.5 | -60.8 | 0 | 0 | 0 | 0 | 108.8 | E720 | S706-E720 PolarHBondContact N-O 3.02Å; S706-E720 PolarHBondContact O-N 3.27Å |
| 707 | L | 82.7 | Confident | 72.7 | Confident | 57 Ų | 57 | 71 Ų | 71 | 30% | 0.298 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 119.8 | -176.4 | -65.9 | 152.8 | 0 | 0 | 0 | 109.8 | K691 L717 I719 | K691-L707 HydrophobicContact CB-CD1 4.11Å; K691-L707 PolarHBondContact O-N 2.91Å; L707-L717 HydrophobicContact CD2-CD1 4.3Å; L707-L717 HydrophobicContact CD2-CD2 3.86Å; L707-L717 HydrophobicContact CD2-CG 4.31Å; L707-I719 HydrophobicContact CD2-CD1 3.91Å; L707-I719 HydrophobicContact CD2-CG1 3.98Å; L707-I719 HydrophobicContact CD2-CG2 4.33Å |
| 708 | S | 74.6 | Confident | 72.7 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.1 | 170.8 | 62.8 | 0 | 0 | 0 | 0 | 109.9 | A710 S718 | S708-A710 PolarHBondContact O-N 3.49Å; S708-S718 PolarHBondContact N-O 2.93Å; S708-S718 PolarHBondContact O-N 3.1Å; S708-S718 PolarHBondContact OG-O 3.06Å |
| 709 | K | 62.9 | Low | 73.1 | Confident | 165 Ų | 165 | 62 Ų | 62 | 72% | 0.717 | 36% | 0.359 | S | S | * | . | trans | -80.1 | 114.4 | 173 | -162.5 | 174.6 | -176.2 | -179.6 | 0 | 108.1 | A711 | K709-A711 PolarHBondContact O-N 3.33Š| ||
| 710 | A | 56 | Low | 74 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 31% | 0.306 | 33% | 0.334 | S | S | . | . | trans | -60.5 | 135.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | S708 L712 | S708-A710 PolarHBondContact O-N 3.49Å; A710-L712 PolarHBondContact O-N 3.39Å | ||
| 711 | A | 51.6 | Low | 74.6 | Confident | 96 Ų | 96 | 56.6 Ų | 56.6 | 79% | 0.793 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -71.6 | 90.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | K709 | K709-A711 PolarHBondContact O-N 3.33Š|
| 712 | L | 51.5 | Low | 74.9 | Confident | 152 Ų | 152 | 60 Ų | 60 | 80% | 0.796 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 62.3 | 128.8 | -178.2 | -65.5 | 96.4 | 0 | 0 | 0 | 113.8 | A710 | A710-L712 PolarHBondContact O-N 3.39Š|
| 713 | P | 50.2 | Low | 75.1 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | cis | -93.2 | 150.4 | 20.5 | 9.1 | 10.8 | 0 | 0 | 0 | 113.3 | N715 E716 | P713-N715 PolarHBondContact O-N 3.14Å; P713-E716 PolarHBondContact O-N 3.01Å | ||
| 714 | T | 57.6 | Low | 75.1 | Confident | 115 Ų | 115 | 60.6 Ų | 60.6 | 71% | 0.706 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 2.2 | -169.3 | 41.8 | 0 | 0 | 0 | 0 | 117.8 | ||
| 715 | N | 69.2 | Low | 75.1 | Confident | 89 Ų | 89 | 59 Ų | 59 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 4.9 | -172.3 | -70.2 | -11.8 | 0 | 0 | 0 | 114.6 | P713 R771 | P713-N715 PolarHBondContact O-N 3.14Å; N715-R771 PolarHBondContact O-N 3.12Å |
| 716 | E | 72.1 | Confident | 74.9 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.3 | -177.7 | -163.5 | 176.8 | 159.9 | 0 | 0 | 111.1 | P713 T768 | P713-E716 PolarHBondContact O-N 3.01Å; E716-T768 HydrophobicContact CG-CG2 3.41Å; E716-T768 VanDerWaalsContact CG-CG2 3.41Å; E716-T768 WeakPolarHBondContact OE1-CG2 3.14Å |
| 717 | L | 79 | Confident | 74.6 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.6 | 173.6 | 179.7 | 70.2 | 0 | 0 | 0 | 108.7 | L707 I719 V769 | L707-L717 HydrophobicContact CD2-CD1 4.3Å; L707-L717 HydrophobicContact CD2-CD2 3.86Å; L707-L717 HydrophobicContact CD2-CG 4.31Å; L717-I719 HydrophobicContact CD2-CD1 4.1Å; L717-I719 HydrophobicContact CD2-CG1 4.24Å; L717-I719 HydrophobicContact CG-CG1 4.15Å; L717-V769 PolarHBondContact N-O 2.86Å; L717-V769 PolarHBondContact O-N 2.63Å |
| 718 | S | 80.8 | Confident | 74.3 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.5 | 173.9 | -51.7 | 0 | 0 | 0 | 0 | 109.3 | S708 | S708-S718 PolarHBondContact N-O 2.93Å; S708-S718 PolarHBondContact O-N 3.1Å; S708-S718 PolarHBondContact OG-O 3.06Å |
| 719 | I | 84.7 | Confident | 74.4 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 4% | 0.041 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.2 | 178.7 | -42.3 | -169.4 | 0 | 0 | 0 | 107.9 | F705 L707 L717 V721 M767 V769 | F705-I719 HydrophobicContact CB-CG2 3.75Å; F705-I719 HydrophobicContact CD1-CG2 4.37Å; F705-I719 HydrophobicContact CD2-CG2 4.45Å; F705-I719 HydrophobicContact CG-CG2 3.96Å; L707-I719 HydrophobicContact CD2-CD1 3.91Å; L707-I719 HydrophobicContact CD2-CG1 3.98Å; L707-I719 HydrophobicContact CD2-CG2 4.33Å; L717-I719 HydrophobicContact CD2-CD1 4.1Å; L717-I719 HydrophobicContact CD2-CG1 4.24Å; L717-I719 HydrophobicContact CG-CG1 4.15Å; I719-V721 HydrophobicContact CG2-CG2 4.45Å; I719-M767 HydrophobicContact CB-CG 3.64Å; I719-M767 HydrophobicContact CB-SD 4.26Å; I719-M767 HydrophobicContact CD1-CE 3.8Å; I719-M767 HydrophobicContact CD1-SD 4.35Å; I719-M767 HydrophobicContact CG1-CE 4.42Å; I719-M767 HydrophobicContact CG1-CG 4.23Å; I719-M767 HydrophobicContact CG2-CG 4.42Å; I719-M767 PolarHBondContact N-O 2.96Å; I719-M767 PolarHBondContact O-N 3.2Å; I719-V769 HydrophobicContact CD1-CG2 4.41Å |
| 720 | E | 88 | Confident | 75.2 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 27% | 0.266 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 112.7 | 169.2 | -177.8 | -165.3 | 161.1 | 0 | 0 | 107.8 | S706 R722 | S706-E720 PolarHBondContact N-O 3.02Å; S706-E720 PolarHBondContact O-N 3.27Å; E720-R722 IonicContact OE1-CZ 2.83Å; E720-R722 VanDerWaalsContact OE1-CZ 3.32Å; E720-R722 IonicContact OE1-NE 3.14Å; E720-R722 PolarHBondContact OE1-NE 3.42Å; E720-R722 IonicContact OE1-NH2 3.77Å; E720-R722 PolarHBondContact OE1-NH2 3.08Å; E720-R722 IonicContact OE2-NH2 2.71Å |
| 721 | V | 88.3 | Confident | 76.1 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 126.1 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 109 | I703 E704 F705 I719 F723 F736 T764 Q765 M767 | I703-V721 HydrophobicContact CG2-CG1 3.59Å; E704-V721 CarbonylContact O-C 3.58Å; E704-V721 WeakPolarHBondContact O-CA 3.44Å; F705-V721 HydrophobicContact CD1-CB 4.06Å; F705-V721 HydrophobicContact CD1-CG1 3.76Å; F705-V721 HydrophobicContact CD1-CG2 3.63Å; F705-V721 HydrophobicContact CE1-CB 4.12Å; F705-V721 HydrophobicContact CE1-CG1 3.54Å; F705-V721 HydrophobicContact CE1-CG2 3.58Å; I719-V721 HydrophobicContact CG2-CG2 4.45Å; V721-F723 HydrophobicContact CB-CE2 4.46Å; V721-F723 HydrophobicContact CB-CZ 4.07Å; V721-F723 HydrophobicContact CG1-CD1 4.08Å; V721-F723 HydrophobicContact CG1-CE1 3.39Å; V721-F723 HydrophobicContact CG1-CE2 4.03Å; V721-F723 HydrophobicContact CG1-CZ 3.36Å; V721-F736 HydrophobicContact CG1-CZ 4.43Å; V721-F736 HydrophobicContact CG2-CE1 4.32Å; V721-T764 CarbonylContact O-C 3.59Å; V721-T764 VanDerWaalsContact O-CA 3.26Å; V721-T764 WeakPolarHBondContact O-CA 3.31Å; V721-Q765 WeakPolarHBondContact CB-O 3.43Å; V721-Q765 PolarHBondContact N-O 2.94Å; V721-Q765 PolarHBondContact O-N 3.19Å; V721-M767 HydrophobicContact CG2-CG 4.24Å; V721-M767 HydrophobicContact CG2-SD 4.07Å |
| 722 | R | 89.5 | Confident | 77.3 | Confident | 81 Ų | 81 | 58.7 Ų | 58.7 | 31% | 0.306 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.9 | 173.7 | -61.9 | -169.9 | 177.4 | 174.1 | 3.4 | 110.5 | I703 E704 E720 V763 T764 | I703-R722 WeakPolarHBondContact CA-O 3.18Å; E704-R722 HydrophobicContact CB-CB 4.4Å; E704-R722 PolarHBondContact N-O 3.1Å; E704-R722 PolarHBondContact O-N 3.4Å; E720-R722 IonicContact OE1-CZ 2.83Å; E720-R722 VanDerWaalsContact OE1-CZ 3.32Å; E720-R722 IonicContact OE1-NE 3.14Å; E720-R722 PolarHBondContact OE1-NE 3.42Å; E720-R722 IonicContact OE1-NH2 3.77Å; E720-R722 PolarHBondContact OE1-NH2 3.08Å; E720-R722 IonicContact OE2-NH2 2.71Å; R722-V763 WeakPolarHBondContact CA-O 3.45Å; R722-T764 HydrophobicContact CG-CG2 4.25Å |
| 723 | F | 88.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.5 | 175.7 | -46 | -78 | 0 | 0 | 0 | 109.3 | L701 I703 V721 F734 F736 I756 P762 V763 Q765 | L701-F723 HydrophobicContact CD1-CB 4.47Å; I703-F723 HydrophobicContact CD1-CD1 4.1Å; I703-F723 HydrophobicContact CD1-CE1 4.22Å; I703-F723 HydrophobicContact CG1-CD1 3.98Å; I703-F723 HydrophobicContact CG1-CE1 4.48Å; I703-F723 HydrophobicContact CG2-CD1 4.04Å; I703-F723 HydrophobicContact CG2-CE1 4.01Å; V721-F723 HydrophobicContact CB-CE2 4.46Å; V721-F723 HydrophobicContact CB-CZ 4.07Å; V721-F723 HydrophobicContact CG1-CD1 4.08Å; V721-F723 HydrophobicContact CG1-CE1 3.39Å; V721-F723 HydrophobicContact CG1-CE2 4.03Å; V721-F723 HydrophobicContact CG1-CZ 3.36Å; F723-F734 HydrophobicContact CB-CE1 4.44Å; F723-F734 AromaticContact CD1-CE1 3.44Å; F723-F734 HydrophobicContact CD1-CE1 3.44Å; F723-F734 VanDerWaalsContact CD1-CE1 3.44Å; F723-F734 AromaticContact CD1-CZ 3.39Å; F723-F734 HydrophobicContact CD1-CZ 3.39Å; F723-F734 AromaticContact CD2-CE1 3.84Å; F723-F734 HydrophobicContact CD2-CE1 3.84Å; F723-F734 AromaticContact CE1-CE1 3.47Å; F723-F734 HydrophobicContact CE1-CE1 3.47Å; F723-F734 VanDerWaalsContact CE1-CE1 3.47Å; F723-F734 AromaticContact CE1-CZ 3.52Å; F723-F734 HydrophobicContact CE1-CZ 3.52Å; F723-F734 AromaticContact CE2-CE1 3.85Å; F723-F734 HydrophobicContact CE2-CE1 3.85Å; F723-F734 HydrophobicContact CG-CD1 4.49Å; F723-F734 AromaticContact CG-CE1 3.64Å; F723-F734 HydrophobicContact CG-CE1 3.64Å; F723-F734 AromaticContact CG-CZ 3.98Å; F723-F734 HydrophobicContact CG-CZ 3.98Å; F723-F734 AromaticContact CZ-CE1 3.68Å; F723-F734 HydrophobicContact CZ-CE1 3.68Å; F723-F734 HydrophobicContact CZ-CZ 4.2Å; F723-F736 HydrophobicContact CE1-CB 4Å; F723-F736 HydrophobicContact CE1-CD1 4.4Å; F723-F736 AromaticContact CE1-CD2 3.67Å; F723-F736 HydrophobicContact CE1-CD2 3.67Å; F723-F736 HydrophobicContact CE1-CE2 4.16Å; F723-F736 AromaticContact CE1-CG 3.79Å; F723-F736 HydrophobicContact CE1-CG 3.79Å; F723-F736 HydrophobicContact CZ-CB 3.76Å; F723-F736 HydrophobicContact CZ-CD1 4Å; F723-F736 HydrophobicContact CZ-CD2 4.08Å; F723-F736 AromaticContact CZ-CG 3.7Å; F723-F736 HydrophobicContact CZ-CG 3.7Å; F723-I756 HydrophobicContact CB-CD1 3.7Å; F723-I756 HydrophobicContact CG-CD1 4.42Å; F723-P762 VanDerWaalsContact O-CA 3.28Å; F723-P762 WeakPolarHBondContact O-CA 3.44Å; F723-V763 HydrophobicContact CB-CB 4.33Å; F723-V763 HydrophobicContact CD2-CB 4.08Å; F723-V763 HydrophobicContact CD2-CG1 3.96Å; F723-V763 VanDerWaalsContact CD2-O 3.27Å; F723-V763 WeakPolarHBondContact CD2-O 3.44Å; F723-V763 PolarHBondContact N-O 3.42Å; F723-V763 PolarHBondContact O-N 2.94Å; F723-Q765 HydrophobicContact CE2-CB 3.64Å; F723-Q765 HydrophobicContact CZ-CB 4.07Å |
| 724 | I | 87.4 | Confident | 79.4 | Confident | 39 Ų | 39 | 54.4 Ų | 54.4 | 20% | 0.2 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122.4 | -179.1 | -62 | 160 | 0 | 0 | 0 | 108.3 | L702 E704 P762 | L702-I724 HydrophobicContact CB-CB 4.16Å; L702-I724 HydrophobicContact CD2-CB 4.46Å; L702-I724 HydrophobicContact CD2-CD1 3.92Å; L702-I724 HydrophobicContact CG-CD1 4.48Å; L702-I724 PolarHBondContact N-O 3.09Å; L702-I724 PolarHBondContact O-N 3.33Å; E704-I724 HydrophobicContact CG-CD1 4.45Å; I724-P762 HydrophobicContact CG1-CB 3.9Å |
| 725 | N | 87.4 | Confident | 80.3 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 100.6 | 176 | 178.8 | 9.4 | 0 | 0 | 0 | 110.3 | S727 F729 M731 I756 K759 | N725-S727 VanDerWaalsContact C-N 3.33Å; N725-S727 WeakPolarHBondContact OD1-CA 3.3Å; N725-S727 WeakPolarHBondContact OD1-CB 3.4Å; N725-S727 PolarHBondContact OD1-N 3.16Å; N725-S727 PolarHBondContact OD1-OG 3.16Å; N725-F729 PolarHBondContact ND2-O 3.3Å; N725-M731 HydrophobicContact CB-SD 4.2Å; N725-M731 WeakPolarHBondContact OD1-CE 3.37Å; N725-I756 HydrophobicContact CB-CB 4.21Å; N725-I756 HydrophobicContact CB-CG2 3.48Å; N725-I756 VanDerWaalsContact CB-CG2 3.48Å; N725-I756 PolarHBondContact ND2-O 3.39Å; N725-K759 WeakPolarHBondContact O-CA 3.45Å; N725-K759 PolarHBondContact O-N 3.1Å |
| 726 | N | 84.5 | Confident | 80.6 | Confident | 90 Ų | 90 | 48.2 Ų | 48.2 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | trans | -86.1 | -3.3 | 173.6 | -68 | -36.4 | 0 | 0 | 0 | 113 | G700 | G700-N726 WeakPolarHBondContact O-CA 3.47Å; G700-N726 WeakPolarHBondContact O-CB 3.47Å; G700-N726 PolarHBondContact O-N 3.11Å | ||
| 727 | S | 78.8 | Confident | 80.7 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -74.3 | 158.9 | 177 | 88.5 | 0 | 0 | 0 | 0 | 111.1 | G700 N725 F729 A758 | G700-S727 PolarHBondContact O-N 3Å; N725-S727 VanDerWaalsContact C-N 3.33Å; N725-S727 WeakPolarHBondContact OD1-CA 3.3Å; N725-S727 WeakPolarHBondContact OD1-CB 3.4Å; N725-S727 PolarHBondContact OD1-N 3.16Å; N725-S727 PolarHBondContact OD1-OG 3.16Å; S727-F729 PolarHBondContact O-N 2.64Å; S727-F729 PolarHBondContact OG-N 3.5Å; S727-F729 PolarHBondContact OG-O 2.91Å; S727-A758 WeakPolarHBondContact O-CB 3.44Å |
| 728 | P | 76.8 | Confident | 80.4 | Confident | 97 Ų | 97 | 47.7 Ų | 47.7 | 63% | 0.63 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -76.5 | 0.9 | 175.4 | 31.5 | -34 | 0 | 0 | 0 | 113.7 | ||
| 729 | F | 78.3 | Confident | 79.9 | Confident | 99 Ų | 99 | 48.3 Ų | 48.3 | 43% | 0.434 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -119.3 | 141.4 | -174.8 | -56.6 | -69.1 | 0 | 0 | 0 | 111.4 | N725 S727 I791 | N725-F729 PolarHBondContact ND2-O 3.3Å; S727-F729 PolarHBondContact O-N 2.64Å; S727-F729 PolarHBondContact OG-N 3.5Å; S727-F729 PolarHBondContact OG-O 2.91Å; F729-I791 HydrophobicContact CB-CG2 3.66Å; F729-I791 HydrophobicContact CD2-CG2 4.26Å; F729-I791 HydrophobicContact CG-CG2 4.16Å |
| 730 | D | 78.1 | Confident | 79.2 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | trans | -68.6 | 139.7 | 175 | -74.1 | -7.1 | 0 | 0 | 0 | 111.2 | Y755 A758 L792 | D730-Y755 HydrophobicContact CB-CE2 3.7Å; D730-Y755 VanDerWaalsContact CG-OH 3.23Å; D730-Y755 WeakPolarHBondContact OD2-CE2 3.46Å; D730-Y755 PolarHBondContact OD2-OH 3.31Å; D730-A758 VanDerWaalsContact OD1-CB 3.31Å; D730-A758 WeakPolarHBondContact OD1-CB 3.29Å; D730-A758 PolarHBondContact OD1-N 2.86Å; D730-L792 PolarHBondContact O-N 3.46Å | ||
| 731 | M | 76 | Confident | 78.5 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.1 | 177.4 | -72.2 | -179.4 | -173.4 | 0 | 0 | 109.3 | L701 N725 Y755 I756 C789 I791 | L701-M731 HydrophobicContact CB-CE 4.03Å; L701-M731 HydrophobicContact CB-SD 4.34Å; L701-M731 HydrophobicContact CD1-SD 3.94Å; N725-M731 HydrophobicContact CB-SD 4.2Å; N725-M731 WeakPolarHBondContact OD1-CE 3.37Å; M731-Y755 CarbonylContact O-C 3.54Å; M731-Y755 WeakPolarHBondContact O-CA 3.32Å; M731-I756 HydrophobicContact CB-CB 4.13Å; M731-I756 PolarHBondContact N-O 3.29Å; M731-I756 PolarHBondContact O-N 3.35Å; M731-C789 WeakPolarHBondContact CB-SG 3.34Å; M731-C789 WeakPolarHBondContact CG-SG 3.28Å; M731-I791 HydrophobicContact CG-CG1 4.47Å |
| 732 | Q | 75.8 | Confident | 77.6 | Confident | 83 Ų | 83 | 60.5 Ų | 60.5 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 154.9 | 179.1 | -75.1 | -177.8 | 7.3 | 0 | 0 | 111.3 | F734 T754 Y755 A790 L792 | Q732-F734 PolarHBondContact O-N 3.24Å; Q732-T754 CarbonylContact C-O 3.53Å; Q732-Y755 HydrophobicContact CG-CD2 3.74Å; Q732-Y755 HydrophobicContact CG-CE2 4.35Å; Q732-A790 PolarHBondContact N-O 3.1Å; Q732-A790 WeakPolarHBondContact O-CB 2.91Å; Q732-A790 PolarHBondContact O-N 2.98Å; Q732-L792 HydrophobicContact CB-CD1 4.49Å |
| 733 | Q | 72.3 | Confident | 76.6 | Confident | 147 Ų | 147 | 57.3 Ų | 57.3 | 69% | 0.687 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.8 | 36.2 | -178.1 | -55.5 | -171.8 | -42.5 | 0 | 0 | 113 | V735 T754 | Q733-V735 PolarHBondContact O-N 3.25Å; Q733-T754 PolarHBondContact N-O 2.88Å |
| 734 | F | 74.6 | Confident | 76 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 121.1 | 175.9 | -179.7 | -100.3 | 0 | 0 | 0 | 109.9 | L701 F723 Q732 F736 T754 I756 P787 T788 C789 | L701-F734 HydrophobicContact CD2-CE2 3.73Å; L701-F734 HydrophobicContact CD2-CZ 4.42Å; F723-F734 HydrophobicContact CB-CE1 4.44Å; F723-F734 AromaticContact CD1-CE1 3.44Å; F723-F734 HydrophobicContact CD1-CE1 3.44Å; F723-F734 VanDerWaalsContact CD1-CE1 3.44Å; F723-F734 AromaticContact CD1-CZ 3.39Å; F723-F734 HydrophobicContact CD1-CZ 3.39Å; F723-F734 AromaticContact CD2-CE1 3.84Å; F723-F734 HydrophobicContact CD2-CE1 3.84Å; F723-F734 AromaticContact CE1-CE1 3.47Å; F723-F734 HydrophobicContact CE1-CE1 3.47Å; F723-F734 VanDerWaalsContact CE1-CE1 3.47Å; F723-F734 AromaticContact CE1-CZ 3.52Å; F723-F734 HydrophobicContact CE1-CZ 3.52Å; F723-F734 AromaticContact CE2-CE1 3.85Å; F723-F734 HydrophobicContact CE2-CE1 3.85Å; F723-F734 HydrophobicContact CG-CD1 4.49Å; F723-F734 AromaticContact CG-CE1 3.64Å; F723-F734 HydrophobicContact CG-CE1 3.64Å; F723-F734 AromaticContact CG-CZ 3.98Å; F723-F734 HydrophobicContact CG-CZ 3.98Å; F723-F734 AromaticContact CZ-CE1 3.68Å; F723-F734 HydrophobicContact CZ-CE1 3.68Å; F723-F734 HydrophobicContact CZ-CZ 4.2Å; Q732-F734 PolarHBondContact O-N 3.24Å; F734-F736 HydrophobicContact CE1-CB 3.81Å; F734-F736 HydrophobicContact CZ-CB 4.04Å; F734-T754 PolarHBondContact N-O 2.99Å; F734-I756 HydrophobicContact CB-CD1 3.93Å; F734-I756 HydrophobicContact CB-CG1 4.19Å; F734-I756 HydrophobicContact CD1-CD1 3.72Å; F734-I756 HydrophobicContact CD1-CG1 4.43Å; F734-I756 HydrophobicContact CD2-CD1 3.77Å; F734-I756 HydrophobicContact CE1-CD1 4.14Å; F734-I756 HydrophobicContact CE2-CD1 4.2Å; F734-I756 HydrophobicContact CG-CD1 3.5Å; F734-I756 HydrophobicContact CG-CG1 4.25Å; F734-I756 HydrophobicContact CZ-CD1 4.37Å; F734-P787 HydrophobicContact CE2-CB 4.14Å; F734-T788 WeakPolarHBondContact CA-O 3.06Å; F734-C789 HydrophobicContact CD2-CB 4.21Å |
| 735 | V | 75.1 | Confident | 75.6 | Confident | 65 Ų | 65 | 63.4 Ų | 63.4 | 39% | 0.394 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124.7 | 174 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | Q733 Q737 T788 | Q733-V735 PolarHBondContact O-N 3.25Å; V735-Q737 HydrophobicContact CG1-CG 4.1Å; V735-T788 PolarHBondContact N-O 2.86Å; V735-T788 PolarHBondContact O-N 2.56Å |
| 736 | F | 77.4 | Confident | 75.4 | Confident | 8 Ų | 8 | 65.1 Ų | 65.1 | 4% | 0.035 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.4 | 174.4 | 177.3 | -101.4 | 0 | 0 | 0 | 109.4 | I703 F705 V721 F723 F734 A738 L785 | I703-F736 HydrophobicContact CD1-CD2 4.48Å; I703-F736 HydrophobicContact CD1-CE2 4.4Å; F705-F736 HydrophobicContact CE1-CZ 4.04Å; F705-F736 HydrophobicContact CZ-CZ 4.02Å; V721-F736 HydrophobicContact CG1-CZ 4.43Å; V721-F736 HydrophobicContact CG2-CE1 4.32Å; F723-F736 HydrophobicContact CE1-CB 4Å; F723-F736 HydrophobicContact CE1-CD1 4.4Å; F723-F736 AromaticContact CE1-CD2 3.67Å; F723-F736 HydrophobicContact CE1-CD2 3.67Å; F723-F736 HydrophobicContact CE1-CE2 4.16Å; F723-F736 AromaticContact CE1-CG 3.79Å; F723-F736 HydrophobicContact CE1-CG 3.79Å; F723-F736 HydrophobicContact CZ-CB 3.76Å; F723-F736 HydrophobicContact CZ-CD1 4Å; F723-F736 HydrophobicContact CZ-CD2 4.08Å; F723-F736 AromaticContact CZ-CG 3.7Å; F723-F736 HydrophobicContact CZ-CG 3.7Å; F734-F736 HydrophobicContact CE1-CB 3.81Å; F734-F736 HydrophobicContact CZ-CB 4.04Å; F736-A738 HydrophobicContact CE1-CB 4.29Å; F736-L785 HydrophobicContact CE1-CD2 4.39Å; F736-L785 HydrophobicContact CE2-CB 4.38Å; F736-L785 HydrophobicContact CE2-CD1 4.21Å; F736-L785 HydrophobicContact CE2-CD2 3.63Å; F736-L785 HydrophobicContact CE2-CG 4.29Å; F736-L785 HydrophobicContact CZ-CD1 4.49Å; F736-L785 HydrophobicContact CZ-CD2 3.42Å; F736-L785 VanDerWaalsContact CZ-CD2 3.42Å; F736-L785 HydrophobicContact CZ-CG 4.47Å |
| 737 | Q | 73.8 | Confident | 75.2 | Confident | 107 Ų | 107 | 64.4 Ų | 64.4 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.6 | 173.6 | -57.7 | -178 | -23.3 | 0 | 0 | 110 | V735 L785 F786 | V735-Q737 HydrophobicContact CG1-CG 4.1Å; Q737-L785 WeakPolarHBondContact O-CA 3.47Å; Q737-F786 HydrophobicContact CB-CB 4.26Å; Q737-F786 HydrophobicContact CB-CD2 4.46Å; Q737-F786 PolarHBondContact N-O 3.44Å; Q737-F786 PolarHBondContact O-N 2.78Å |
| 738 | A | 72.7 | Confident | 75.3 | Confident | 12 Ų | 12 | 67.2 Ų | 67.2 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F736 I746 M748 T783 E784 L785 | F736-A738 HydrophobicContact CE1-CB 4.29Å; A738-I746 HydrophobicContact CB-CD1 3.67Å; A738-M748 HydrophobicContact CB-SD 3.84Å; A738-T783 HydrophobicContact CB-CG2 3.84Å; A738-E784 WeakPolarHBondContact CA-O 3.41Å; A738-L785 HydrophobicContact CB-CD2 3.91Å |
| 739 | A | 69.8 | Low | 75.6 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 148.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T783 E784 | A739-T783 WeakPolarHBondContact O-CA 3.38Å; A739-E784 PolarHBondContact N-O 2.95Å |
| 740 | V | 69.8 | Low | 75.7 | Confident | 36 Ų | 36 | 67.8 Ų | 67.8 | 22% | 0.218 | 36% | 0.36 | C | S | . | . | trans | -126.1 | 159.4 | 176.8 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | F744 I746 | V740-F744 HydrophobicContact CB-CB 4.02Å; V740-F744 HydrophobicContact CG2-CB 3.93Å; V740-F744 WeakPolarHBondContact CG2-O 3.34Å; V740-I746 HydrophobicContact CG1-CB 3.93Å; V740-I746 HydrophobicContact CG1-CD1 4.2Å; V740-I746 HydrophobicContact CG1-CG2 4.3Å; V740-I746 HydrophobicContact CG2-CB 3.9Å; V740-I746 HydrophobicContact CG2-CG2 3.83Å | ||
| 741 | T | 74.2 | Confident | 75.9 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 42% | 0.423 | 36% | 0.357 | S | S | . | . | trans | -71.2 | 161.8 | 178 | 63.7 | 0 | 0 | 0 | 0 | 112.1 | A743 F744 | T741-A743 PolarHBondContact O-N 3.13Å; T741-F744 PolarHBondContact O-N 3.02Å | ||
| 742 | K | 69 | Low | 76.3 | Confident | 217 Ų | 217 | 70.3 Ų | 70.3 | 94% | 0.943 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -16 | -177.9 | -68.5 | -172.2 | 178.2 | -175.4 | 0 | 115.8 | F744 | K742-F744 VanDerWaalsContact C-N 3.34Š|
| 743 | A | 68.8 | Low | 76.6 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 12% | 0.116 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -14.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T741 I772 | T741-A743 PolarHBondContact O-N 3.13Å; A743-I772 PolarHBondContact O-N 3.47Å |
| 744 | F | 75.7 | Confident | 77 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 25% | 0.254 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 152.3 | -175.7 | -60.9 | -88 | 0 | 0 | 0 | 111.2 | V740 T741 K742 V769 Q770 R771 | V740-F744 HydrophobicContact CB-CB 4.02Å; V740-F744 HydrophobicContact CG2-CB 3.93Å; V740-F744 WeakPolarHBondContact CG2-O 3.34Å; T741-F744 PolarHBondContact O-N 3.02Å; K742-F744 VanDerWaalsContact C-N 3.34Å; F744-V769 HydrophobicContact CB-CG1 4.27Å; F744-V769 HydrophobicContact CD1-CG1 4.04Å; F744-V769 HydrophobicContact CG-CG1 4.46Å; F744-Q770 CarbonylContact C-O 3.57Å; F744-Q770 VanDerWaalsContact CA-O 3.28Å; F744-Q770 WeakPolarHBondContact CA-O 3.5Å; F744-R771 HydrophobicContact CD1-CB 4.13Å; F744-R771 HydrophobicContact CD1-CG 4.38Å; F744-R771 HydrophobicContact CE1-CB 4.09Å; F744-R771 HydrophobicContact CE1-CG 4.1Å |
| 745 | Q | 78.1 | Confident | 77.4 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 51% | 0.505 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.4 | 167.9 | -159.2 | 166 | -14.9 | 0 | 0 | 108.2 | V769 Q770 I772 | Q745-V769 WeakPolarHBondContact O-CA 3.35Å; Q745-Q770 PolarHBondContact N-O 2.82Å; Q745-Q770 PolarHBondContact O-N 2.86Å; Q745-I772 HydrophobicContact CB-CD1 3.57Å; Q745-I772 HydrophobicContact CB-CG1 3.85Å; Q745-I772 HydrophobicContact CG-CD1 4.23Å |
| 746 | I | 83.1 | Confident | 77.7 | Confident | 40 Ų | 40 | 66.6 Ų | 66.6 | 21% | 0.205 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.1 | 173.3 | -170.9 | 172.4 | 0 | 0 | 0 | 108.7 | A738 V740 M748 M767 T768 V769 | A738-I746 HydrophobicContact CB-CD1 3.67Å; V740-I746 HydrophobicContact CG1-CB 3.93Å; V740-I746 HydrophobicContact CG1-CD1 4.2Å; V740-I746 HydrophobicContact CG1-CG2 4.3Å; V740-I746 HydrophobicContact CG2-CB 3.9Å; V740-I746 HydrophobicContact CG2-CG2 3.83Å; I746-M748 HydrophobicContact CD1-CG 4.03Å; I746-M748 HydrophobicContact CD1-SD 4.24Å; I746-M748 HydrophobicContact CG1-CG 4.03Å; I746-M767 HydrophobicContact CD1-CE 3.51Å; I746-M767 HydrophobicContact CD1-SD 4.4Å; I746-M767 HydrophobicContact CG1-CE 4.18Å; I746-T768 WeakPolarHBondContact CA-O 3.37Å; I746-V769 HydrophobicContact CG1-CG2 4.33Å |
| 747 | S | 80.9 | Confident | 77.9 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 52% | 0.524 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.5 | 169.3 | -174.8 | 0 | 0 | 0 | 0 | 107.7 | M767 T768 | S747-M767 CarbonylContact O-C 3.53Å; S747-M767 WeakPolarHBondContact O-CA 3.5Å; S747-T768 PolarHBondContact N-O 3.46Å; S747-T768 PolarHBondContact O-N 3.49Å |
| 748 | M | 81.3 | Confident | 78.3 | Confident | 70 Ų | 70 | 63.6 Ų | 63.6 | 35% | 0.345 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.3 | 179.8 | -64.2 | -173.7 | -70.7 | 0 | 0 | 109.2 | A738 I746 M767 | A738-M748 HydrophobicContact CB-SD 3.84Å; I746-M748 HydrophobicContact CD1-CG 4.03Å; I746-M748 HydrophobicContact CD1-SD 4.24Å; I746-M748 HydrophobicContact CG1-CG 4.03Å; M748-M767 HydrophobicContact CG-CB 4.01Å |
| 749 | L | 83.9 | Confident | 78.5 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 53% | 0.534 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -77 | 154.8 | 167.9 | -68.4 | 174.3 | 0 | 0 | 0 | 109.6 | Q765 N766 | L749-Q765 WeakPolarHBondContact O-CG 3.33Å; L749-Q765 PolarHBondContact O-NE2 3.23Å; L749-N766 HydrophobicContact CB-CB 4.5Å; L749-N766 HydrophobicContact CD1-CB 4.01Å; L749-N766 PolarHBondContact N-O 3.24Å |
| 750 | P | 80 | Confident | 78.9 | Confident | 107 Ų | 107 | 70.7 Ų | 70.7 | 70% | 0.695 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -59 | 145.5 | 173.7 | 23.2 | -32 | 0 | 0 | 0 | 111 | ||
| 751 | P | 81.6 | Confident | 79.4 | Confident | 35 Ų | 35 | 74.1 Ų | 74.1 | 23% | 0.227 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 151.9 | 175.9 | 28.9 | -34.6 | 0 | 0 | 0 | 110.7 | S753 V763 Q765 | P751-S753 PolarHBondContact O-N 3.4Å; P751-S753 VanDerWaalsContact O-N 3.13Å; P751-V763 HydrophobicContact CB-CG1 4.29Å; P751-Q765 HydrophobicContact CB-CB 4.14Å; P751-Q765 HydrophobicContact CB-CG 4.29Å |
| 752 | S | 84.8 | Confident | 79.8 | Confident | 78 Ų | 78 | 73.8 Ų | 73.8 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -62.5 | -20.6 | 180 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | T764 | S752-T764 PolarHBondContact N-O 3.39Å; S752-T764 PolarHBondContact OG-N 3.13Å; S752-T764 PolarHBondContact OG-O 3.33Å; S752-T764 PolarHBondContact OG-OG1 2.83Å |
| 753 | S | 82 | Confident | 80.7 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 30% | 0.301 | 37% | 0.368 | S | S | . | . | trans | -158.9 | 148.1 | 175.5 | 176.1 | 0 | 0 | 0 | 0 | 109.9 | P751 Y755 V763 | P751-S753 PolarHBondContact O-N 3.4Å; P751-S753 VanDerWaalsContact O-N 3.13Å; S753-Y755 VanDerWaalsContact C-N 3.27Å; S753-Y755 WeakPolarHBondContact OG-CA 2.92Å; S753-Y755 PolarHBondContact OG-N 2.75Å; S753-Y755 PolarHBondContact OG-O 2.75Å; S753-V763 VanDerWaalsContact O-CG1 3.25Å; S753-V763 WeakPolarHBondContact O-CG1 3.2Å | ||
| 754 | T | 80.3 | Confident | 81.6 | Confident | 86 Ų | 86 | 65.3 Ų | 65.3 | 53% | 0.528 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -89.9 | 2.7 | 167.7 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | Q732 Q733 F734 | Q732-T754 CarbonylContact C-O 3.53Å; Q733-T754 PolarHBondContact N-O 2.88Å; F734-T754 PolarHBondContact N-O 2.99Å |
| 755 | Y | 82.3 | Confident | 82.2 | Confident | 87 Ų | 87 | 63.2 Ų | 63.2 | 34% | 0.341 | 37% | 0.367 | S | S | . | . | trans | -116.6 | 120.6 | 178.3 | 167.8 | -104.8 | 0 | 0 | 0 | 109.7 | D730 M731 Q732 S753 P757 V763 | D730-Y755 HydrophobicContact CB-CE2 3.7Å; D730-Y755 VanDerWaalsContact CG-OH 3.23Å; D730-Y755 WeakPolarHBondContact OD2-CE2 3.46Å; D730-Y755 PolarHBondContact OD2-OH 3.31Å; M731-Y755 CarbonylContact O-C 3.54Å; M731-Y755 WeakPolarHBondContact O-CA 3.32Å; Q732-Y755 HydrophobicContact CG-CD2 3.74Å; Q732-Y755 HydrophobicContact CG-CE2 4.35Å; S753-Y755 VanDerWaalsContact C-N 3.27Å; S753-Y755 WeakPolarHBondContact OG-CA 2.92Å; S753-Y755 PolarHBondContact OG-N 2.75Å; S753-Y755 PolarHBondContact OG-O 2.75Å; Y755-P757 HydrophobicContact CE1-CB 3.71Å; Y755-P757 HydrophobicContact CE1-CG 4.1Å; Y755-V763 WeakPolarHBondContact O-CG2 3.43Å | ||
| 756 | I | 82.9 | Confident | 82.6 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -110.3 | 102.4 | 174.6 | -44.4 | 170.6 | 0 | 0 | 0 | 108.2 | L701 F723 N725 M731 F734 V763 | L701-I756 HydrophobicContact CD1-CD1 4.04Å; F723-I756 HydrophobicContact CB-CD1 3.7Å; F723-I756 HydrophobicContact CG-CD1 4.42Å; N725-I756 HydrophobicContact CB-CB 4.21Å; N725-I756 HydrophobicContact CB-CG2 3.48Å; N725-I756 VanDerWaalsContact CB-CG2 3.48Å; N725-I756 PolarHBondContact ND2-O 3.39Å; M731-I756 HydrophobicContact CB-CB 4.13Å; M731-I756 PolarHBondContact N-O 3.29Å; M731-I756 PolarHBondContact O-N 3.35Å; F734-I756 HydrophobicContact CB-CD1 3.93Å; F734-I756 HydrophobicContact CB-CG1 4.19Å; F734-I756 HydrophobicContact CD1-CD1 3.72Å; F734-I756 HydrophobicContact CD1-CG1 4.43Å; F734-I756 HydrophobicContact CD2-CD1 3.77Å; F734-I756 HydrophobicContact CE1-CD1 4.14Å; F734-I756 HydrophobicContact CE2-CD1 4.2Å; F734-I756 HydrophobicContact CG-CD1 3.5Å; F734-I756 HydrophobicContact CG-CG1 4.25Å; F734-I756 HydrophobicContact CZ-CD1 4.37Å; I756-V763 HydrophobicContact CB-CG2 4.19Å; I756-V763 HydrophobicContact CG1-CB 4.14Å; I756-V763 HydrophobicContact CG1-CG2 3.74Å; I756-V763 HydrophobicContact CG2-CG2 4.21Å |
| 757 | P | 80.9 | Confident | 82.8 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 16% | 0.156 | 36% | 0.356 | C | S | . | . | trans | -63.1 | 142.3 | -177.5 | 22.9 | -31.7 | 0 | 0 | 0 | 112.3 | Y755 K759 G760 | Y755-P757 HydrophobicContact CE1-CB 3.71Å; Y755-P757 HydrophobicContact CE1-CG 4.1Å; P757-K759 PolarHBondContact O-N 3.01Å; P757-G760 PolarHBondContact O-N 2.88Å; P757-G760 VanDerWaalsContact O-N 3.16Å | ||
| 758 | A | 81.8 | Confident | 82.9 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 121.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S727 D730 G760 | S727-A758 WeakPolarHBondContact O-CB 3.44Å; D730-A758 VanDerWaalsContact OD1-CB 3.31Å; D730-A758 WeakPolarHBondContact OD1-CB 3.29Å; D730-A758 PolarHBondContact OD1-N 2.86Å; A758-G760 PolarHBondContact O-N 2.81Å |
| 759 | K | 78.1 | Confident | 82.9 | Confident | 169 Ų | 169 | 56 Ų | 56 | 74% | 0.735 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 25.4 | -176.3 | -56.3 | -178.8 | 178.7 | 179.5 | 0 | 113.9 | N725 P757 | N725-K759 WeakPolarHBondContact O-CA 3.45Å; N725-K759 PolarHBondContact O-N 3.1Å; P757-K759 PolarHBondContact O-N 3.01Å |
| 760 | G | 76.8 | Confident | 82.7 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 38% | 0.381 | 33% | 0.326 | S | S | . | . | trans | -101.2 | -162.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P757 A758 | P757-G760 PolarHBondContact O-N 2.88Å; P757-G760 VanDerWaalsContact O-N 3.16Å; A758-G760 PolarHBondContact O-N 2.81Å | ||
| 761 | T | 80.3 | Confident | 82.4 | Confident | 108 Ų | 108 | 54.8 Ų | 54.8 | 66% | 0.663 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 138.1 | 179.3 | 47.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 762 | P | 84 | Confident | 82.1 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 41% | 0.409 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 141.8 | 176.7 | 25.6 | -32.7 | 0 | 0 | 0 | 111.1 | F723 I724 | F723-P762 VanDerWaalsContact O-CA 3.28Å; F723-P762 WeakPolarHBondContact O-CA 3.44Å; I724-P762 HydrophobicContact CG1-CB 3.9Å |
| 763 | V | 86.4 | Confident | 81.2 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 140.7 | 168.3 | 174.6 | 0 | 0 | 0 | 0 | 108.3 | R722 F723 P751 S753 Y755 I756 | R722-V763 WeakPolarHBondContact CA-O 3.45Å; F723-V763 HydrophobicContact CB-CB 4.33Å; F723-V763 HydrophobicContact CD2-CB 4.08Å; F723-V763 HydrophobicContact CD2-CG1 3.96Å; F723-V763 VanDerWaalsContact CD2-O 3.27Å; F723-V763 WeakPolarHBondContact CD2-O 3.44Å; F723-V763 PolarHBondContact N-O 3.42Å; F723-V763 PolarHBondContact O-N 2.94Å; P751-V763 HydrophobicContact CB-CG1 4.29Å; S753-V763 VanDerWaalsContact O-CG1 3.25Å; S753-V763 WeakPolarHBondContact O-CG1 3.2Å; Y755-V763 WeakPolarHBondContact O-CG2 3.43Å; I756-V763 HydrophobicContact CB-CG2 4.19Å; I756-V763 HydrophobicContact CG1-CB 4.14Å; I756-V763 HydrophobicContact CG1-CG2 3.74Å; I756-V763 HydrophobicContact CG2-CG2 4.21Å |
| 764 | T | 88.8 | Confident | 80 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.7 | -175.9 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | V721 R722 S752 | V721-T764 CarbonylContact O-C 3.59Å; V721-T764 VanDerWaalsContact O-CA 3.26Å; V721-T764 WeakPolarHBondContact O-CA 3.31Å; R722-T764 HydrophobicContact CG-CG2 4.25Å; S752-T764 PolarHBondContact N-O 3.39Å; S752-T764 PolarHBondContact OG-N 3.13Å; S752-T764 PolarHBondContact OG-O 3.33Å; S752-T764 PolarHBondContact OG-OG1 2.83Å |
| 765 | Q | 88.3 | Confident | 78.9 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 131.6 | 172.4 | -173.6 | 176.3 | 11.5 | 0 | 0 | 110.1 | V721 F723 L749 P751 | V721-Q765 WeakPolarHBondContact CB-O 3.43Å; V721-Q765 PolarHBondContact N-O 2.94Å; V721-Q765 PolarHBondContact O-N 3.19Å; F723-Q765 HydrophobicContact CE2-CB 3.64Å; F723-Q765 HydrophobicContact CZ-CB 4.07Å; L749-Q765 WeakPolarHBondContact O-CG 3.33Å; L749-Q765 PolarHBondContact O-NE2 3.23Å; P751-Q765 HydrophobicContact CB-CB 4.14Å; P751-Q765 HydrophobicContact CB-CG 4.29Å |
| 766 | N | 86.8 | Confident | 77.5 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.4 | 179.6 | -71.7 | -19.4 | 0 | 0 | 0 | 110.1 | L749 | L749-N766 HydrophobicContact CB-CB 4.5Å; L749-N766 HydrophobicContact CD1-CB 4.01Å; L749-N766 PolarHBondContact N-O 3.24Å |
| 767 | M | 85.8 | Confident | 75.9 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 3% | 0.034 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.3 | 172.2 | 62.5 | 177.9 | -86.6 | 0 | 0 | 110.7 | I719 V721 I746 S747 M748 V769 | I719-M767 HydrophobicContact CB-CG 3.64Å; I719-M767 HydrophobicContact CB-SD 4.26Å; I719-M767 HydrophobicContact CD1-CE 3.8Å; I719-M767 HydrophobicContact CD1-SD 4.35Å; I719-M767 HydrophobicContact CG1-CE 4.42Å; I719-M767 HydrophobicContact CG1-CG 4.23Å; I719-M767 HydrophobicContact CG2-CG 4.42Å; I719-M767 PolarHBondContact N-O 2.96Å; I719-M767 PolarHBondContact O-N 3.2Å; V721-M767 HydrophobicContact CG2-CG 4.24Å; V721-M767 HydrophobicContact CG2-SD 4.07Å; I746-M767 HydrophobicContact CD1-CE 3.51Å; I746-M767 HydrophobicContact CD1-SD 4.4Å; I746-M767 HydrophobicContact CG1-CE 4.18Å; S747-M767 CarbonylContact O-C 3.53Å; S747-M767 WeakPolarHBondContact O-CA 3.5Å; M748-M767 HydrophobicContact CG-CB 4.01Å; M767-V769 HydrophobicContact CE-CG2 3.48Å; M767-V769 VanDerWaalsContact CE-CG2 3.48Å |
| 768 | T | 83.8 | Confident | 73.9 | Confident | 41 Ų | 41 | 71.5 Ų | 71.5 | 25% | 0.252 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.9 | 176.3 | -70.4 | 0 | 0 | 0 | 0 | 108.7 | E716 I746 S747 | E716-T768 HydrophobicContact CG-CG2 3.41Å; E716-T768 VanDerWaalsContact CG-CG2 3.41Å; E716-T768 WeakPolarHBondContact OE1-CG2 3.14Å; I746-T768 WeakPolarHBondContact CA-O 3.37Å; S747-T768 PolarHBondContact N-O 3.46Å; S747-T768 PolarHBondContact O-N 3.49Å |
| 769 | V | 81.5 | Confident | 72 | Confident | 10 Ų | 10 | 74.8 Ų | 74.8 | 6% | 0.061 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 122.4 | 173.7 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | L717 I719 F744 Q745 I746 M767 L781 | L717-V769 PolarHBondContact N-O 2.86Å; L717-V769 PolarHBondContact O-N 2.63Å; I719-V769 HydrophobicContact CD1-CG2 4.41Å; F744-V769 HydrophobicContact CB-CG1 4.27Å; F744-V769 HydrophobicContact CD1-CG1 4.04Å; F744-V769 HydrophobicContact CG-CG1 4.46Å; Q745-V769 WeakPolarHBondContact O-CA 3.35Å; I746-V769 HydrophobicContact CG1-CG2 4.33Å; M767-V769 HydrophobicContact CE-CG2 3.48Å; M767-V769 VanDerWaalsContact CE-CG2 3.48Å; V769-L781 HydrophobicContact CG1-CD1 4.14Å |
| 770 | Q | 79.7 | Confident | 70.6 | Confident | 96 Ų | 96 | 72.1 Ų | 72.1 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 139 | 178 | -171.7 | -177.2 | 12 | 0 | 0 | 110.6 | F744 Q745 | F744-Q770 CarbonylContact C-O 3.57Å; F744-Q770 VanDerWaalsContact CA-O 3.28Å; F744-Q770 WeakPolarHBondContact CA-O 3.5Å; Q745-Q770 PolarHBondContact N-O 2.82Å; Q745-Q770 PolarHBondContact O-N 2.86Å |
| 771 | R | 74.3 | Confident | 69.5 | Low | 88 Ų | 88 | 74.3 Ų | 74.3 | 33% | 0.332 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 120.4 | 172.5 | -172.6 | 179.5 | -178.2 | -175.4 | 2.8 | 110.7 | N715 F744 A773 Q776 | N715-R771 PolarHBondContact O-N 3.12Å; F744-R771 HydrophobicContact CD1-CB 4.13Å; F744-R771 HydrophobicContact CD1-CG 4.38Å; F744-R771 HydrophobicContact CE1-CB 4.09Å; F744-R771 HydrophobicContact CE1-CG 4.1Å; R771-A773 PolarHBondContact NE-O 2.78Å; R771-Q776 PolarHBondContact NH2-O 2.88Å |
| 772 | I | 74.2 | Confident | 68.3 | Low | 96 Ų | 96 | 78.4 Ų | 78.4 | 49% | 0.492 | 44% | 0.443 | S | S | . | . | trans | -90.1 | -32.9 | -179.1 | -53.6 | 166.9 | 0 | 0 | 0 | 111.7 | A743 Q745 P774 | A743-I772 PolarHBondContact O-N 3.47Å; Q745-I772 HydrophobicContact CB-CD1 3.57Å; Q745-I772 HydrophobicContact CB-CG1 3.85Å; Q745-I772 HydrophobicContact CG-CD1 4.23Å; I772-P774 WeakPolarHBondContact O-CD 3.48Å | ||
| 773 | A | 65.8 | Low | 66.9 | Low | 31 Ų | 31 | 77.5 Ų | 77.5 | 26% | 0.256 | 44% | 0.436 | S | S | . | . | trans | -112.3 | 99.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R771 S775 | R771-A773 PolarHBondContact NE-O 2.78Å; A773-S775 VanDerWaalsContact C-N 3.29Å; A773-S775 PolarHBondContact O-N 2.76Å | ||
| 774 | P | 58.2 | Low | 65.5 | Low | 103 Ų | 103 | 83.3 Ų | 83.3 | 67% | 0.669 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -13.9 | -179.6 | 25.6 | -31.5 | 0 | 0 | 0 | 114.4 | I772 | I772-P774 WeakPolarHBondContact O-CD 3.48Š|
| 775 | S | 56 | Low | 63.9 | Low | 109 Ų | 109 | 83.4 Ų | 83.4 | 76% | 0.762 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -3.4 | -169.6 | 57.7 | 0 | 0 | 0 | 0 | 116.6 | A773 | A773-S775 VanDerWaalsContact C-N 3.29Å; A773-S775 PolarHBondContact O-N 2.76Å |
| 776 | Q | 54.1 | Low | 62.3 | Low | 125 Ų | 125 | 87.4 Ų | 87.4 | 58% | 0.584 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -96.2 | 127.7 | 175.5 | -77.8 | -173.5 | -15.5 | 0 | 0 | 112 | R771 | R771-Q776 PolarHBondContact NH2-O 2.88Š|
| 777 | P | 49.3 | Very low | 60.7 | Low | 130 Ų | 130 | 85.8 Ų | 85.8 | 84% | 0.844 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 144.1 | 175.9 | 26 | -30.7 | 0 | 0 | 0 | 112 | ||
| 778 | S | 38.1 | Very low | 59.1 | Low | 111 Ų | 111 | 89.5 Ų | 89.5 | 78% | 0.776 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 141.9 | -166 | 112.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 779 | S | 41 | Very low | 57.4 | Low | 98 Ų | 98 | 89.9 Ų | 89.9 | 69% | 0.685 | 50% | 0.499 | S | S | * | . | trans | -165.6 | 119.8 | 132.5 | 56.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 780 | T | 50.7 | Low | 55.5 | Low | 113 Ų | 113 | 91 Ų | 91 | 69% | 0.693 | 51% | 0.51 | S | S | * | . | trans | 71.4 | 119 | 169.4 | 62.9 | 0 | 0 | 0 | 0 | 118.6 | R782 | T780-R782 PolarHBondContact O-N 2.84Š| ||
| 781 | L | 52.4 | Low | 53.7 | Low | 82 Ų | 82 | 91 Ų | 91 | 43% | 0.429 | 51% | 0.512 | S | S | . | . | trans | -68.1 | 119.4 | 158.6 | -178.8 | 99.7 | 0 | 0 | 0 | 107.3 | V769 T783 | V769-L781 HydrophobicContact CG1-CD1 4.14Å; L781-T783 WeakPolarHBondContact CD2-OG1 3.38Å | ||
| 782 | R | 56.4 | Low | 51.8 | Low | 195 Ų | 195 | 91.7 Ų | 91.7 | 74% | 0.736 | 52% | 0.522 | S | S | * | . | trans | -101.9 | 122.4 | 165.4 | -75.2 | -174.2 | -178.3 | 174.3 | -0.2 | 108.1 | T780 | T780-R782 PolarHBondContact O-N 2.84Š| ||
| 783 | T | 52.8 | Low | 49.7 | Very low | 44 Ų | 44 | 89.1 Ų | 89.1 | 27% | 0.27 | 52% | 0.519 | S | S | . | . | trans | -121.1 | 123.3 | 176.3 | -51.3 | 0 | 0 | 0 | 0 | 107.8 | A738 A739 L781 L785 | A738-T783 HydrophobicContact CB-CG2 3.84Å; A739-T783 WeakPolarHBondContact O-CA 3.38Å; L781-T783 WeakPolarHBondContact CD2-OG1 3.38Å; T783-L785 HydrophobicContact CG2-CD2 3.74Å; T783-L785 HydrophobicContact CG2-CG 4.48Å | ||
| 784 | E | 57.6 | Low | 47.8 | Very low | 127 Ų | 127 | 91.7 Ų | 91.7 | 59% | 0.593 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 129.6 | 167.4 | -72.9 | -175 | 173.2 | 0 | 0 | 108.3 | A738 A739 F786 | A738-E784 WeakPolarHBondContact CA-O 3.41Å; A739-E784 PolarHBondContact N-O 2.95Å; E784-F786 HydrophobicContact CB-CE2 3.78Å; E784-F786 HydrophobicContact CB-CZ 3.99Å |
| 785 | L | 55.4 | Low | 46.2 | Very low | 49 Ų | 49 | 89.4 Ų | 89.4 | 26% | 0.257 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.1 | -178.4 | -60.1 | 179.3 | 0 | 0 | 0 | 109.2 | A695 F705 F736 Q737 A738 T783 P787 | A695-L785 HydrophobicContact CB-CD1 4.31Å; F705-L785 HydrophobicContact CZ-CD1 4Å; F705-L785 HydrophobicContact CZ-CD2 4.38Å; F736-L785 HydrophobicContact CE1-CD2 4.39Å; F736-L785 HydrophobicContact CE2-CB 4.38Å; F736-L785 HydrophobicContact CE2-CD1 4.21Å; F736-L785 HydrophobicContact CE2-CD2 3.63Å; F736-L785 HydrophobicContact CE2-CG 4.29Å; F736-L785 HydrophobicContact CZ-CD1 4.49Å; F736-L785 HydrophobicContact CZ-CD2 3.42Å; F736-L785 VanDerWaalsContact CZ-CD2 3.42Å; F736-L785 HydrophobicContact CZ-CG 4.47Å; Q737-L785 WeakPolarHBondContact O-CA 3.47Å; A738-L785 HydrophobicContact CB-CD2 3.91Å; T783-L785 HydrophobicContact CG2-CD2 3.74Å; T783-L785 HydrophobicContact CG2-CG 4.48Å; L785-P787 WeakPolarHBondContact O-CD 3.13Å |
| 786 | F | 55 | Low | 44.6 | Very low | 98 Ų | 98 | 90.6 Ų | 90.6 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 86.1 | 176.8 | -55.2 | -89.3 | 0 | 0 | 0 | 109.5 | Q737 E784 T788 | Q737-F786 HydrophobicContact CB-CB 4.26Å; Q737-F786 HydrophobicContact CB-CD2 4.46Å; Q737-F786 PolarHBondContact N-O 3.44Å; Q737-F786 PolarHBondContact O-N 2.78Å; E784-F786 HydrophobicContact CB-CE2 3.78Å; E784-F786 HydrophobicContact CB-CZ 3.99Å; F786-T788 PolarHBondContact O-N 3.41Å |
| 787 | P | 53.6 | Low | 43.2 | Very low | 49 Ų | 49 | 88.2 Ų | 88.2 | 32% | 0.318 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 123 | 170 | 30 | -30.7 | 0 | 0 | 0 | 109.2 | F734 L785 | F734-P787 HydrophobicContact CE2-CB 4.14Å; L785-P787 WeakPolarHBondContact O-CD 3.13Å |
| 788 | T | 51.9 | Low | 42 | Very low | 85 Ų | 85 | 84.6 Ų | 84.6 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121 | 168.5 | -47.5 | 0 | 0 | 0 | 0 | 107.6 | F734 V735 F786 | F734-T788 WeakPolarHBondContact CA-O 3.06Å; V735-T788 PolarHBondContact N-O 2.86Å; V735-T788 PolarHBondContact O-N 2.56Å; F786-T788 PolarHBondContact O-N 3.41Å |
| 789 | C | 47.2 | Very low | 41.4 | Very low | 48 Ų | 48 | 83 Ų | 83 | 32% | 0.324 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 136.9 | -178.4 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | M731 F734 | M731-C789 WeakPolarHBondContact CB-SG 3.34Å; M731-C789 WeakPolarHBondContact CG-SG 3.28Å; F734-C789 HydrophobicContact CD2-CB 4.21Å |
| 790 | A | 42.9 | Very low | 40.7 | Very low | 35 Ų | 35 | 84.7 Ų | 84.7 | 29% | 0.289 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 108.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q732 | Q732-A790 PolarHBondContact N-O 3.1Å; Q732-A790 WeakPolarHBondContact O-CB 2.91Å; Q732-A790 PolarHBondContact O-N 2.98Å |
| 791 | I | 40.8 | Very low | 39.5 | Very low | 94 Ų | 94 | 84.7 Ų | 84.7 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 116.9 | 171.9 | -57.1 | 174.1 | 0 | 0 | 0 | 107.9 | F729 M731 | F729-I791 HydrophobicContact CB-CG2 3.66Å; F729-I791 HydrophobicContact CD2-CG2 4.26Å; F729-I791 HydrophobicContact CG-CG2 4.16Å; M731-I791 HydrophobicContact CG-CG1 4.47Å |
| 792 | L | 34.9 | Very low | 38.2 | Very low | 104 Ų | 104 | 87 Ų | 87 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | trans | -99.8 | 86.2 | 173.7 | -84.2 | 160.2 | 0 | 0 | 0 | 109.4 | D730 Q732 | D730-L792 PolarHBondContact O-N 3.46Å; Q732-L792 HydrophobicContact CB-CD1 4.49Å | ||
| 793 | G | 28.8 | Very low | 36.7 | Very low | 42 Ų | 42 | 82.8 Ų | 82.8 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | trans | -62.2 | 134 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 794 | G | 25.8 | Very low | 35.5 | Very low | 84 Ų | 84 | 86.7 Ų | 86.7 | 87% | 0.866 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -48.5 | 142.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 795 | G | 24.7 | Very low | 34.1 | Very low | 55 Ų | 55 | 86 Ų | 86 | 57% | 0.567 | 53% | 0.531 | S | S | * | . | S | Bend | trans | 138.7 | 81.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y797 | G795-Y797 WeakPolarHBondContact O-CD2 3.26Å; G795-Y797 VanDerWaalsContact O-CE2 3.3Å; G795-Y797 WeakPolarHBondContact O-CE2 3.12Å; G795-Y797 PolarHBondContact O-N 2.98Å; G795-Y797 VanDerWaalsContact O-N 3.12Å |
| 796 | N | 23.4 | Very low | 32.8 | Very low | 135 Ų | 135 | 87.2 Ų | 87.2 | 72% | 0.722 | 54% | 0.542 | S | S | * | . | trans | 49.9 | 30.4 | 141.5 | -71.1 | -8.5 | 0 | 0 | 0 | 123.4 | A798 | N796-A798 PolarHBondContact O-N 3.46Å; N796-A798 VanDerWaalsContact O-N 3.14Å | ||
| 797 | Y | 25.6 | Very low | 31.7 | Very low | 74 Ų | 74 | 83.8 Ų | 83.8 | 29% | 0.29 | 53% | 0.532 | S | S | . | . | trans | -71.1 | 50.2 | 172.2 | -24.1 | -98 | 0 | 0 | 0 | 122 | G795 K1015 E1016 | G795-Y797 WeakPolarHBondContact O-CD2 3.26Å; G795-Y797 VanDerWaalsContact O-CE2 3.3Å; G795-Y797 WeakPolarHBondContact O-CE2 3.12Å; G795-Y797 PolarHBondContact O-N 2.98Å; G795-Y797 VanDerWaalsContact O-N 3.12Å; Y797-K1015 HydrophobicContact CD1-CB 3.37Å; Y797-K1015 HydrophobicContact CD1-CD 4.06Å; Y797-K1015 HydrophobicContact CD1-CG 3.42Å; Y797-K1015 VanDerWaalsContact CD1-CG 3.42Å; Y797-K1015 VanDerWaalsContact CD1-N 3.3Å; Y797-K1015 HydrophobicContact CD2-CB 3.45Å; Y797-K1015 VanDerWaalsContact CD2-CB 3.45Å; Y797-K1015 HydrophobicContact CD2-CD 3.37Å; Y797-K1015 HydrophobicContact CD2-CG 3.66Å; Y797-K1015 HydrophobicContact CE1-CB 3.34Å; Y797-K1015 HydrophobicContact CE1-CG 3.96Å; Y797-K1015 HydrophobicContact CE2-CB 3.39Å; Y797-K1015 HydrophobicContact CE2-CD 4.12Å; Y797-K1015 HydrophobicContact CE2-CG 4.15Å; Y797-K1015 WeakPolarHBondContact CE2-O 3.2Å; Y797-K1015 HydrophobicContact CG-CB 3.49Å; Y797-K1015 VanDerWaalsContact CG-CB 3.49Å; Y797-K1015 HydrophobicContact CG-CD 3.39Å; Y797-K1015 HydrophobicContact CG-CG 3.32Å; Y797-K1015 VanDerWaalsContact CZ-CA 3.46Å; Y797-K1015 PolarHBondContact OH-O 3.34Å; Y797-E1016 WeakPolarHBondContact OH-CA 2.85Å; Y797-E1016 PolarHBondContact OH-N 2.99Å | ||
| 798 | A | 23.9 | Very low | 31 | Very low | 55 Ų | 55 | 89.6 Ų | 89.6 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | trans | -64.4 | 144.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N796 L800 | N796-A798 PolarHBondContact O-N 3.46Å; N796-A798 VanDerWaalsContact O-N 3.14Å; A798-L800 HydrophobicContact CB-CD1 4.46Å | ||
| 799 | L | 25.3 | Very low | 30.5 | Very low | 77 Ų | 77 | 88.2 Ų | 88.2 | 40% | 0.403 | 54% | 0.54 | S | S | . | . | trans | -154 | 87 | 135.6 | -85.6 | -157.7 | 0 | 0 | 0 | 111.3 | A807 V809 V1013 | L799-A807 HydrophobicContact CD2-CB 4.47Å; L799-V809 HydrophobicContact CD1-CB 4.11Å; L799-V809 HydrophobicContact CD1-CG1 3.69Å; L799-V809 HydrophobicContact CD1-CG2 3.28Å; L799-V809 HydrophobicContact CD2-CG2 3.1Å; L799-V809 HydrophobicContact CG-CG2 3.79Å; L799-V1013 HydrophobicContact CD1-CB 3.87Å; L799-V1013 HydrophobicContact CD1-CG1 3.42Å; L799-V1013 VanDerWaalsContact CD1-CG1 3.42Å; L799-V1013 HydrophobicContact CD1-CG2 3.29Å; L799-V1013 HydrophobicContact CD2-CG1 4.18Å; L799-V1013 HydrophobicContact CG-CG1 3.55Å; L799-V1013 HydrophobicContact CG-CG2 4.27Å | ||
| 800 | L | 25.2 | Very low | 30.5 | Very low | 134 Ų | 134 | 89.4 Ų | 89.4 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | trans | -66.6 | 162.7 | 152.2 | -67.6 | 133.7 | 0 | 0 | 0 | 111.3 | A798 | A798-L800 HydrophobicContact CB-CD1 4.46Š| ||
| 801 | N | 25.3 | Very low | 30.5 | Very low | 113 Ų | 113 | 92.4 Ų | 92.4 | 60% | 0.604 | 56% | 0.561 | S | S | * | * | S | Bend | -117.8 | 127.2 | 128.8 | -88.5 | -6.8 | 0 | 0 | 0 | 104.3 | |||
| 802 | H | 25.4 | Very low | 30.8 | Very low | 130 Ų | 130 | 96.1 Ų | 96.1 | 60% | 0.602 | 57% | 0.569 | S | S | * | * | S | Bend | cis | -158 | 156.3 | 18.2 | -110.2 | -67.6 | 0 | 0 | 0 | 112.6 | ||
| 803 | S | 25.2 | Very low | 31.5 | Very low | 107 Ų | 107 | 97.9 Ų | 97.9 | 75% | 0.748 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 94.1 | 135.7 | 166.3 | 81.5 | 0 | 0 | 0 | 0 | 117.5 | ||
| 804 | P | 28.1 | Very low | 32.5 | Very low | 126 Ų | 126 | 97.8 Ų | 97.8 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | -123.5 | 125.9 | -69.5 | 32.1 | -18.1 | 0 | 0 | 0 | 111 | |||||
| 805 | S | 27.3 | Very low | 33.7 | Very low | 111 Ų | 111 | 94.3 Ų | 94.3 | 78% | 0.776 | 52% | 0.519 | S | S | * | . | trans | -160.3 | 143 | 177.7 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | A807 | S805-A807 PolarHBondContact O-N 2.83Š| ||
| 806 | P | 28.5 | Very low | 34.9 | Very low | 75 Ų | 75 | 95.6 Ų | 95.6 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -79.8 | 78.8 | -144.4 | 31.9 | -34.6 | 0 | 0 | 0 | 112.9 | P1017 | P806-P1017 HydrophobicContact CB-CB 3.91Å; P806-P1017 HydrophobicContact CG-CB 3.68Å; P806-P1017 HydrophobicContact CG-CG 4.04Å; P806-P1017 WeakPolarHBondContact O-CA 3.38Å; P806-P1017 WeakPolarHBondContact O-CB 3.41Å; P806-P1017 WeakPolarHBondContact O-CG 3.25Å |
| 807 | A | 32.1 | Very low | 36.2 | Very low | 27 Ų | 27 | 89.3 Ų | 89.3 | 22% | 0.223 | 48% | 0.479 | C | S | . | . | trans | -125.5 | 100.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | L799 S805 V809 N1014 | L799-A807 HydrophobicContact CD2-CB 4.47Å; S805-A807 PolarHBondContact O-N 2.83Å; A807-V809 PolarHBondContact O-N 2.84Å; A807-N1014 WeakPolarHBondContact CB-O 3.38Å | ||
| 808 | Y | 39.4 | Very low | 37.4 | Very low | 170 Ų | 170 | 86.3 Ų | 86.3 | 67% | 0.667 | 47% | 0.471 | S | S | * | . | trans | -65.5 | 105.4 | -179.4 | -73.4 | -89.7 | 0 | 0 | 0 | 110 | ||||
| 809 | V | 40.2 | Very low | 38.7 | Very low | 56 Ų | 56 | 84.2 Ų | 84.2 | 34% | 0.339 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 114.3 | 166.2 | -164.9 | 0 | 0 | 0 | 0 | 108.2 | L799 A807 | L799-V809 HydrophobicContact CD1-CB 4.11Å; L799-V809 HydrophobicContact CD1-CG1 3.69Å; L799-V809 HydrophobicContact CD1-CG2 3.28Å; L799-V809 HydrophobicContact CD2-CG2 3.1Å; L799-V809 HydrophobicContact CG-CG2 3.79Å; A807-V809 PolarHBondContact O-N 2.84Å |
| 810 | V | 47.1 | Very low | 39.7 | Very low | 73 Ų | 73 | 85.5 Ų | 85.5 | 44% | 0.442 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 99.9 | 170.3 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | R812 V1012 | V810-R812 HydrophobicContact CG1-CG 3.93Å; V810-V1012 PolarHBondContact N-O 2.56Å; V810-V1012 PolarHBondContact O-N 3.05Å |
| 811 | T | 42.8 | Very low | 40.5 | Very low | 98 Ų | 98 | 80.9 Ų | 80.9 | 60% | 0.601 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 111.8 | 169.4 | -53.5 | 0 | 0 | 0 | 0 | 107.7 | ||
| 812 | R | 48.4 | Very low | 41 | Very low | 172 Ų | 172 | 78.3 Ų | 78.3 | 65% | 0.649 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133.4 | 174.7 | -80.5 | -172.3 | 177.6 | -163 | 0.7 | 109.9 | V810 I814 W1010 | V810-R812 HydrophobicContact CG1-CG 3.93Å; R812-I814 HydrophobicContact CB-CD1 3.61Å; R812-I814 HydrophobicContact CB-CG1 3.79Å; R812-I814 PolarHBondContact O-N 3.22Å; R812-W1010 VanDerWaalsContact O-O 3.08Å |
| 813 | R | 49.6 | Very low | 41.6 | Very low | 142 Ų | 142 | 75.1 Ų | 75.1 | 54% | 0.536 | 42% | 0.416 | S | S | . | . | trans | -74.5 | 93.4 | 175.1 | -68.6 | 174.4 | 175.5 | -178.1 | -8.7 | 109 | L1009 E1056 A1079 | R813-L1009 HydrophobicContact CG-CD2 4.05Å; R813-E1056 IonicContact NH1-OE2 3.74Å; R813-A1079 HydrophobicContact CB-CB 4.09Å | ||
| 814 | I | 49.3 | Very low | 42 | Very low | 39 Ų | 39 | 77.3 Ų | 77.3 | 20% | 0.2 | 42% | 0.416 | C | S | . | . | trans | -118.6 | 107 | -174.7 | -58.4 | 164.8 | 0 | 0 | 0 | 108.6 | R812 F1008 W1010 V1078 | R812-I814 HydrophobicContact CB-CD1 3.61Å; R812-I814 HydrophobicContact CB-CG1 3.79Å; R812-I814 PolarHBondContact O-N 3.22Å; I814-F1008 CarbonylContact C-O 3.58Å; I814-W1010 VanDerWaalsContact O-CD1 3.31Å; I814-V1078 HydrophobicContact CG1-CG1 4.46Å; I814-V1078 HydrophobicContact CG2-CG1 4.4Å; I814-V1078 HydrophobicContact CG2-CG2 4.19Å | ||
| 815 | V | 51.1 | Low | 42.2 | Very low | 11 Ų | 11 | 80 Ų | 80 | 7% | 0.067 | 42% | 0.418 | C | S | . | . | trans | 97.8 | 102.1 | 168.7 | -157.6 | 0 | 0 | 0 | 0 | 117.3 | V817 F1008 F1027 A1077 V1078 | V815-V817 HydrophobicContact CG1-CG2 3.53Å; V815-F1008 HydrophobicContact CB-CB 4.46Å; V815-F1008 HydrophobicContact CG1-CD2 4.48Å; V815-F1008 PolarHBondContact O-N 2.95Å; V815-F1027 HydrophobicContact CG1-CD1 4.39Å; V815-F1027 HydrophobicContact CG2-CB 4.42Å; V815-A1077 CarbonylContact C-O 3.5Å; V815-A1077 VanDerWaalsContact CA-O 3.25Å; V815-A1077 WeakPolarHBondContact CA-O 3.24Å; V815-V1078 HydrophobicContact CG2-CG2 4.21Å | ||
| 816 | L | 50.3 | Low | 42.4 | Very low | 82 Ų | 82 | 76.4 Ų | 76.4 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 112.1 | 157.7 | -131.7 | 141.1 | 0 | 0 | 0 | 106.8 | I1005 L1007 A1077 | L816-I1005 HydrophobicContact CD2-CG2 4.21Å; L816-L1007 HydrophobicContact CD1-CD1 4.28Å; L816-L1007 HydrophobicContact CG-CD1 4.06Å; L816-A1077 HydrophobicContact CB-CB 4.21Å; L816-A1077 PolarHBondContact N-O 2.84Å; L816-A1077 PolarHBondContact O-N 3.28Å |
| 817 | V | 51.2 | Low | 42.5 | Very low | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.018 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 99.5 | 170 | -176.3 | 0 | 0 | 0 | 0 | 106.8 | V815 F819 T1006 F1008 F1027 L1076 | V815-V817 HydrophobicContact CG1-CG2 3.53Å; V817-F819 HydrophobicContact CG1-CD1 4.48Å; V817-F819 HydrophobicContact CG1-CD2 4.42Å; V817-F819 HydrophobicContact CG1-CE1 3.81Å; V817-F819 HydrophobicContact CG1-CE2 3.78Å; V817-F819 HydrophobicContact CG1-CZ 3.42Å; V817-F819 VanDerWaalsContact CG1-CZ 3.42Å; V817-T1006 PolarHBondContact N-O 3.04Å; V817-T1006 PolarHBondContact O-N 3.06Å; V817-T1006 VanDerWaalsContact O-O 3.13Å; V817-F1008 HydrophobicContact CB-CE2 4.32Å; V817-F1008 HydrophobicContact CG2-CD2 3.9Å; V817-F1008 HydrophobicContact CG2-CE2 3.71Å; V817-F1027 HydrophobicContact CG2-CE1 4.04Å; V817-L1076 HydrophobicContact CB-CD2 4.18Å; V817-L1076 HydrophobicContact CG1-CD2 3.79Å; V817-L1076 HydrophobicContact CG2-CD2 3.71Å |
| 818 | G | 49.5 | Very low | 42.4 | Very low | 12 Ų | 12 | 79.1 Ų | 79.1 | 12% | 0.124 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | A1075 | G818-A1075 PolarHBondContact N-O 3.5Å; G818-A1075 PolarHBondContact O-N 3.42Å |
| 819 | F | 52 | Low | 42 | Very low | 10 Ų | 10 | 79.6 Ų | 79.6 | 4% | 0.044 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 118 | 167.3 | -53.4 | -82.7 | 0 | 0 | 0 | 106.8 | V817 I895 M908 P1004 F1029 Y1074 | V817-F819 HydrophobicContact CG1-CD1 4.48Å; V817-F819 HydrophobicContact CG1-CD2 4.42Å; V817-F819 HydrophobicContact CG1-CE1 3.81Å; V817-F819 HydrophobicContact CG1-CE2 3.78Å; V817-F819 HydrophobicContact CG1-CZ 3.42Å; V817-F819 VanDerWaalsContact CG1-CZ 3.42Å; F819-I895 HydrophobicContact CD1-CD1 4.24Å; F819-I895 HydrophobicContact CE1-CD1 3.28Å; F819-I895 HydrophobicContact CE1-CG1 4.23Å; F819-I895 HydrophobicContact CE2-CD1 4.49Å; F819-I895 HydrophobicContact CZ-CD1 3.45Å; F819-I895 VanDerWaalsContact CZ-CD1 3.45Å; F819-I895 HydrophobicContact CZ-CG1 4.13Å; F819-M908 HydrophobicContact CB-CE 3.81Å; F819-M908 HydrophobicContact CD1-CE 3.97Å; F819-M908 HydrophobicContact CD1-SD 4.31Å; F819-M908 HydrophobicContact CG-CE 4.09Å; F819-P1004 WeakPolarHBondContact CA-O 3.3Å; F819-P1004 HydrophobicContact CB-CB 3.9Å; F819-P1004 HydrophobicContact CB-CG 3.93Å; F819-P1004 WeakPolarHBondContact CB-O 3.5Å; F819-P1004 HydrophobicContact CD2-CB 4.4Å; F819-P1004 WeakPolarHBondContact CD2-O 3.3Å; F819-P1004 PolarHBondContact N-O 3.17Å; F819-P1004 VanDerWaalsContact O-CG 3.31Å; F819-P1004 WeakPolarHBondContact O-CG 3.41Å; F819-F1029 HydrophobicContact CE1-CE2 4.49Å; F819-F1029 HydrophobicContact CE1-CZ 4.19Å; F819-Y1074 AromaticContact CD1-CD1 3.48Å; F819-Y1074 HydrophobicContact CD1-CD1 3.48Å; F819-Y1074 VanDerWaalsContact CD1-CD1 3.48Å; F819-Y1074 AromaticContact CD1-CE1 3.68Å; F819-Y1074 HydrophobicContact CD1-CE1 3.68Å; F819-Y1074 AromaticContact CE1-CD1 3.91Å; F819-Y1074 HydrophobicContact CE1-CD1 3.91Å; F819-Y1074 HydrophobicContact CE1-CE1 4.15Å |
| 820 | L | 46.2 | Very low | 41.6 | Very low | 105 Ų | 105 | 83 Ų | 83 | 55% | 0.55 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 82.8 | 174.6 | -112.4 | 144.5 | 0 | 0 | 0 | 107.3 | P822 C1073 | L820-P822 WeakPolarHBondContact O-CD 3.32Å; L820-C1073 CarbonylContact C-O 3.53Å; L820-C1073 VanDerWaalsContact CA-O 3.26Å; L820-C1073 WeakPolarHBondContact CA-O 3.4Å; L820-C1073 HydrophobicContact CB-CB 4.25Å; L820-C1073 WeakPolarHBondContact CB-O 3.37Å; L820-C1073 PolarHBondContact N-O 2.81Å; L820-C1073 CarbonylContact O-C 3.56Å; L820-C1073 WeakPolarHBondContact O-CA 3.46Å; L820-C1073 WeakPolarHBondContact O-CB 3.42Å; L820-C1073 PolarHBondContact O-N 2.89Å |
| 821 | C | 41.9 | Very low | 40.7 | Very low | 37 Ų | 37 | 82.7 Ų | 82.7 | 25% | 0.25 | 44% | 0.442 | C | S | . | . | trans | -71.2 | 117.5 | 161.3 | -158.3 | 0 | 0 | 0 | 0 | 106.8 | T823 | C821-T823 PolarHBondContact O-N 3.4Š| ||
| 822 | P | 35.5 | Very low | 39.9 | Very low | 59 Ų | 59 | 88 Ų | 88 | 38% | 0.383 | 45% | 0.451 | S | S | . | . | trans | -63 | 135.3 | 161 | 31.8 | -30.1 | 0 | 0 | 0 | 105.8 | L820 Q1071 | L820-P822 WeakPolarHBondContact O-CD 3.32Å; P822-Q1071 WeakPolarHBondContact CD-O 3.49Å; P822-Q1071 HydrophobicContact CG-CB 4.19Å; P822-Q1071 WeakPolarHBondContact CG-O 3.43Å | ||
| 823 | T | 38.8 | Very low | 38.9 | Very low | 62 Ų | 62 | 87.4 Ų | 87.4 | 38% | 0.38 | 45% | 0.453 | S | S | . | . | trans | 136.8 | 49.6 | 163.9 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | C821 A826 L1070 | C821-T823 PolarHBondContact O-N 3.4Å; T823-A826 HydrophobicContact CG2-CB 3.3Å; T823-L1070 HydrophobicContact CG2-CD1 4.02Å | ||
| 824 | M | 32.8 | Very low | 37.9 | Very low | 154 Ų | 154 | 86.1 Ų | 86.1 | 76% | 0.759 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -84.7 | -30.2 | 138.4 | -82.7 | -154 | 84.8 | 0 | 0 | 110.9 | A827 | M824-A827 WeakPolarHBondContact O-CB 3.47Å; M824-A827 PolarHBondContact O-N 3.21Å |
| 825 | E | 31.9 | Very low | 36.8 | Very low | 182 Ų | 182 | 88.4 Ų | 88.4 | 85% | 0.85 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -21.3 | 177.8 | -75.6 | 178.4 | 157.4 | 0 | 0 | 114.3 | ||
| 826 | A | 31.2 | Very low | 35.7 | Very low | 35 Ų | 35 | 90.6 Ų | 90.6 | 29% | 0.289 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -6.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T823 D828 E829 I830 | T823-A826 HydrophobicContact CG2-CB 3.3Å; A826-D828 PolarHBondContact O-N 2.68Å; A826-E829 PolarHBondContact O-N 3.01Å; A826-E829 VanDerWaalsContact O-N 3.14Å; A826-I830 PolarHBondContact O-N 3.41Å |
| 827 | A | 31.3 | Very low | 34.7 | Very low | 39 Ų | 39 | 95 Ų | 95 | 32% | 0.322 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | M824 E829 I830 G831 | M824-A827 WeakPolarHBondContact O-CB 3.47Å; M824-A827 PolarHBondContact O-N 3.21Å; A827-E829 VanDerWaalsContact C-N 3.29Å; A827-E829 PolarHBondContact O-N 3.44Å; A827-I830 CarbonylContact O-C 3.35Å; A827-I830 PolarHBondContact O-N 2.84Å; A827-G831 PolarHBondContact O-N 3.12Å |
| 828 | D | 30.9 | Very low | 33.8 | Very low | 120 Ų | 120 | 101.3 Ų | 101.3 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -26.4 | 169.7 | -84.7 | -24 | 0 | 0 | 0 | 112.6 | A826 | A826-D828 PolarHBondContact O-N 2.68Š|
| 829 | E | 30.3 | Very low | 33 | Very low | 181 Ų | 181 | 105.4 Ų | 105.4 | 85% | 0.846 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -15.1 | 171.5 | -75.5 | -168.9 | 151.8 | 0 | 0 | 113.1 | A826 A827 | A826-E829 PolarHBondContact O-N 3.01Å; A826-E829 VanDerWaalsContact O-N 3.14Å; A827-E829 VanDerWaalsContact C-N 3.29Å; A827-E829 PolarHBondContact O-N 3.44Å |
| 830 | I | 30.8 | Very low | 32.4 | Very low | 126 Ų | 126 | 112.1 Ų | 112.1 | 65% | 0.646 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 36.2 | 173.9 | -44.9 | 174.2 | 0 | 0 | 0 | 109.5 | A826 A827 W832 | A826-I830 PolarHBondContact O-N 3.41Å; A827-I830 CarbonylContact O-C 3.35Å; A827-I830 PolarHBondContact O-N 2.84Å; I830-W832 VanDerWaalsContact C-N 3.31Å; I830-W832 PolarHBondContact O-N 3.31Å |
| 831 | G | 28.1 | Very low | 32.3 | Very low | 67 Ų | 67 | 114.7 Ų | 114.7 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.1 | 12.6 | 154 | 0 | 0 | 0 | 0 | 0 | 119.5 | A827 K833 | A827-G831 PolarHBondContact O-N 3.12Å; G831-K833 PolarHBondContact O-N 2.94Å |
| 832 | W | 26.9 | Very low | 32.6 | Very low | 211 Ų | 211 | 117.1 Ų | 117.1 | 80% | 0.799 | 64% | 0.638 | S | S | * | * | trans | -94.7 | 59 | 176.5 | -77.3 | 82.8 | 0 | 0 | 0 | 112.1 | I830 C834 | I830-W832 VanDerWaalsContact C-N 3.31Å; I830-W832 PolarHBondContact O-N 3.31Å; W832-C834 PolarHBondContact O-N 3.02Å | ||
| 833 | K | 26.9 | Very low | 33.4 | Very low | 158 Ų | 158 | 118.4 Ų | 118.4 | 69% | 0.687 | 65% | 0.645 | S | S | * | * | trans | -75.7 | 97 | 161.9 | -100.8 | -175.8 | 177.2 | 176.5 | 0 | 109.4 | G831 S835 | G831-K833 PolarHBondContact O-N 2.94Å; K833-S835 PolarHBondContact O-N 3.05Å | ||
| 834 | C | 28.5 | Very low | 34.1 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 78% | 0.784 | 66% | 0.659 | S | S | * | * | trans | -78.7 | 74.4 | 166 | -67 | 0 | 0 | 0 | 0 | 109.2 | W832 | W832-C834 PolarHBondContact O-N 3.02Š| ||
| 835 | S | 26.6 | Very low | 35.2 | Very low | 86 Ų | 86 | 122.6 Ų | 122.6 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | trans | -148.6 | 105.3 | 172.3 | 53 | 0 | 0 | 0 | 0 | 108 | K833 | K833-S835 PolarHBondContact O-N 3.05Š| ||
| 836 | G | 28.7 | Very low | 36.3 | Very low | 58 Ų | 58 | 122.1 Ų | 122.1 | 60% | 0.598 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 122.2 | 140.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F838 | G836-F838 WeakPolarHBondContact O-CD2 3.18Å; G836-F838 PolarHBondContact O-N 3.48Å |
| 837 | D | 28.8 | Very low | 37.7 | Very low | 173 Ų | 173 | 124.2 Ų | 124.2 | 93% | 0.925 | 65% | 0.647 | S | S | * | * | trans | -53.6 | 115.6 | -179.6 | -57.2 | -58 | 0 | 0 | 0 | 112.3 | ||||
| 838 | F | 33.3 | Very low | 39.4 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 60% | 0.601 | 65% | 0.647 | S | S | * | * | trans | -115.1 | 125 | 178.2 | -86.3 | -78 | 0 | 0 | 0 | 112.2 | G836 | G836-F838 WeakPolarHBondContact O-CD2 3.18Å; G836-F838 PolarHBondContact O-N 3.48Å | ||
| 839 | T | 31.6 | Very low | 41 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 60% | 0.601 | 65% | 0.65 | S | S | * | * | trans | -87.4 | 147 | 174.2 | 47 | 0 | 0 | 0 | 0 | 111.4 | Q841 D842 | T839-Q841 PolarHBondContact O-N 3.34Å; T839-D842 PolarHBondContact O-N 3.5Å | ||
| 840 | L | 39.7 | Very low | 42.5 | Very low | 150 Ų | 150 | 124 Ų | 124 | 79% | 0.785 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -15 | -172.4 | -138.3 | 99 | 0 | 0 | 0 | 115.3 | T843 | L840-T843 PolarHBondContact O-OG1 2.96Š|
| 841 | Q | 44.5 | Very low | 44.1 | Very low | 160 Ų | 160 | 121.3 Ų | 121.3 | 75% | 0.748 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -83.1 | -27.3 | -173.8 | -78.2 | -175.4 | -12.7 | 0 | 0 | 114.3 | T839 T843 | T839-Q841 PolarHBondContact O-N 3.34Å; Q841-T843 VanDerWaalsContact C-N 3.31Å |
| 842 | D | 48.2 | Very low | 46.2 | Very low | 87 Ų | 87 | 123 Ų | 123 | 47% | 0.465 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -79.1 | -18.4 | 179.1 | -87.7 | -29.5 | 0 | 0 | 0 | 112.9 | T839 | T839-D842 PolarHBondContact O-N 3.5Å |
| 843 | T | 51.1 | Low | 48.1 | Very low | 86 Ų | 86 | 118.5 Ų | 118.5 | 53% | 0.528 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.2 | -40 | -178.1 | -8.3 | 0 | 0 | 0 | 0 | 111.6 | L840 Q841 Y847 | L840-T843 PolarHBondContact O-OG1 2.96Å; Q841-T843 VanDerWaalsContact C-N 3.31Å; T843-Y847 VanDerWaalsContact O-CB 3.27Å; T843-Y847 WeakPolarHBondContact O-CB 3.33Å; T843-Y847 PolarHBondContact O-N 3.08Å |
| 844 | E | 54.7 | Low | 49.9 | Very low | 142 Ų | 142 | 111.4 Ų | 111.4 | 66% | 0.664 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.5 | -40.7 | -176.2 | -64.9 | -171.7 | 157 | 0 | 0 | 113.1 | Y847 A848 | E844-Y847 PolarHBondContact O-N 3.49Å; E844-A848 WeakPolarHBondContact O-CB 3.37Å; E844-A848 PolarHBondContact O-N 2.63Å |
| 845 | K | 55.9 | Low | 51.7 | Low | 162 Ų | 162 | 110.5 Ų | 110.5 | 70% | 0.704 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.5 | -41.4 | 179.4 | -73.9 | -178.8 | -178.6 | 172.1 | 0 | 112.3 | A848 W849 | K845-A848 PolarHBondContact O-N 3.13Å; K845-W849 PolarHBondContact O-N 3.31Å |
| 846 | R | 54.7 | Low | 53.9 | Low | 173 Ų | 173 | 115.8 Ų | 115.8 | 65% | 0.653 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.9 | -42 | 173.8 | -76.4 | -175.5 | -179.3 | 179.3 | 2.9 | 111.1 | W849 H850 | R846-W849 PolarHBondContact O-N 2.9Å; R846-H850 WeakPolarHBondContact O-CB 3.26Å; R846-H850 PolarHBondContact O-N 2.73Å |
| 847 | Y | 60.5 | Low | 55.7 | Low | 78 Ų | 78 | 117 Ų | 117 | 31% | 0.306 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.1 | -42.1 | 177.3 | -152.5 | -95.4 | 0 | 0 | 0 | 112.1 | T843 E844 H850 W851 F861 I863 T865 | T843-Y847 VanDerWaalsContact O-CB 3.27Å; T843-Y847 WeakPolarHBondContact O-CB 3.33Å; T843-Y847 PolarHBondContact O-N 3.08Å; E844-Y847 PolarHBondContact O-N 3.49Å; Y847-H850 PolarHBondContact O-N 3.2Å; Y847-W851 VanDerWaalsContact O-CB 3.25Å; Y847-W851 WeakPolarHBondContact O-CB 3.44Å; Y847-W851 PolarHBondContact O-N 2.87Å; Y847-F861 AromaticContact CE1-CE1 3.76Å; Y847-F861 HydrophobicContact CE1-CE1 3.76Å; Y847-F861 HydrophobicContact CE2-CE1 4.36Å; Y847-F861 AromaticContact CZ-CE1 3.68Å; Y847-I863 PolarHBondContact OH-O 3.17Å; Y847-T865 VanDerWaalsContact CE1-OG1 3.3Å; Y847-T865 WeakPolarHBondContact CE1-OG1 3.34Å |
| 848 | A | 66.2 | Low | 57 | Low | 38 Ų | 38 | 118.2 Ų | 118.2 | 31% | 0.314 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E844 K845 H850 W851 I852 | E844-A848 WeakPolarHBondContact O-CB 3.37Å; E844-A848 PolarHBondContact O-N 2.63Å; K845-A848 PolarHBondContact O-N 3.13Å; A848-H850 VanDerWaalsContact C-N 3.34Å; A848-W851 WeakPolarHBondContact O-CB 3.28Å; A848-W851 PolarHBondContact O-N 3.26Å; A848-I852 WeakPolarHBondContact O-CG1 3.42Å; A848-I852 PolarHBondContact O-N 3.39Å |
| 849 | W | 64.5 | Low | 57.9 | Low | 187 Ų | 187 | 117.7 Ų | 117.7 | 71% | 0.708 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66 | -39.8 | 177.2 | -138.3 | 102.3 | 0 | 0 | 0 | 111.3 | K845 R846 I852 K853 | K845-W849 PolarHBondContact O-N 3.31Å; R846-W849 PolarHBondContact O-N 2.9Å; W849-I852 PolarHBondContact O-N 3.31Å; W849-K853 HydrophobicContact CE3-CB 4.34Å; W849-K853 HydrophobicContact CZ3-CB 4.35Å; W849-K853 HydrophobicContact CZ3-CD 4.3Å; W849-K853 WeakPolarHBondContact O-CB 3.26Å; W849-K853 PolarHBondContact O-N 3.07Å |
| 850 | H | 62 | Low | 58.8 | Low | 110 Ų | 110 | 117.6 Ų | 117.6 | 51% | 0.509 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65 | -41 | 173.5 | -166.9 | 10.3 | 0 | 0 | 0 | 111.6 | R846 Y847 A848 K853 T854 | R846-H850 WeakPolarHBondContact O-CB 3.26Å; R846-H850 PolarHBondContact O-N 2.73Å; Y847-H850 PolarHBondContact O-N 3.2Å; A848-H850 VanDerWaalsContact C-N 3.34Å; H850-K853 PolarHBondContact O-N 3.43Å; H850-T854 PolarHBondContact ND1-OG1 3.15Å; H850-T854 WeakPolarHBondContact O-CB 3.43Å; H850-T854 PolarHBondContact O-N 3.48Å; H850-T854 PolarHBondContact O-OG1 2.85Å |
| 851 | W | 65.8 | Low | 59.4 | Low | 70 Ų | 70 | 112.5 Ų | 112.5 | 27% | 0.265 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 174.7 | -171.5 | 85.5 | 0 | 0 | 0 | 112.4 | Y847 A848 T854 I855 F861 D864 F866 | Y847-W851 VanDerWaalsContact O-CB 3.25Å; Y847-W851 WeakPolarHBondContact O-CB 3.44Å; Y847-W851 PolarHBondContact O-N 2.87Å; A848-W851 WeakPolarHBondContact O-CB 3.28Å; A848-W851 PolarHBondContact O-N 3.26Å; W851-T854 PolarHBondContact O-N 2.91Å; W851-I855 HydrophobicContact CD2-CD1 3.61Å; W851-I855 VanDerWaalsContact CE2-CD1 3.43Å; W851-I855 HydrophobicContact CE3-CD1 3.61Å; W851-I855 HydrophobicContact CG-CD1 4.49Å; W851-I855 HydrophobicContact CH2-CD1 3.3Å; W851-I855 HydrophobicContact CZ2-CD1 3.3Å; W851-I855 HydrophobicContact CZ3-CD1 3.46Å; W851-I855 VanDerWaalsContact CZ3-CD1 3.46Å; W851-I855 WeakPolarHBondContact O-CG1 3.5Å; W851-I855 PolarHBondContact O-N 3Å; W851-F861 VanDerWaalsContact CA-CE2 3.45Å; W851-F861 HydrophobicContact CB-CE2 4.11Å; W851-F861 HydrophobicContact CB-CZ 3.91Å; W851-F861 HydrophobicContact CG-CE2 4.38Å; W851-F861 HydrophobicContact CG-CZ 4.38Å; W851-D864 PolarHBondContact NE1-OD1 3.21Å; W851-F866 AromaticContact CD1-CD2 3.69Å; W851-F866 AromaticContact CD2-CD2 3.96Å; W851-F866 HydrophobicContact CD2-CD2 3.96Å; W851-F866 HydrophobicContact CD2-CE2 4.31Å; W851-F866 AromaticContact CE2-CD2 3.65Å; W851-F866 AromaticContact CG-CD2 3.96Å; W851-F866 HydrophobicContact CG-CD2 3.96Å; W851-F866 HydrophobicContact CG-CE2 4.18Å; W851-F866 HydrophobicContact CZ2-CB 3.86Å; W851-F866 HydrophobicContact CZ2-CD2 4.23Å; W851-F866 HydrophobicContact CZ2-CG 4.17Å; W851-F866 AromaticContact NE1-CD2 3.48Å |
| 852 | I | 70.6 | Confident | 59.6 | Low | 104 Ų | 104 | 112.2 Ų | 112.2 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 175.5 | -67.5 | 167.1 | 0 | 0 | 0 | 111.4 | A848 W849 T854 I855 Y856 | A848-I852 WeakPolarHBondContact O-CG1 3.42Å; A848-I852 PolarHBondContact O-N 3.39Å; W849-I852 PolarHBondContact O-N 3.31Å; I852-T854 VanDerWaalsContact C-N 3.26Å; I852-T854 PolarHBondContact O-N 3.39Å; I852-I855 PolarHBondContact O-N 3.48Å; I852-Y856 WeakPolarHBondContact O-CB 3.48Å; I852-Y856 PolarHBondContact O-N 2.63Å |
| 853 | K | 68.1 | Low | 59.8 | Low | 115 Ų | 115 | 112.6 Ų | 112.6 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -36.9 | 179 | -171.1 | 179.6 | -177.9 | -179.2 | 0 | 112.1 | W849 H850 Y856 N857 | W849-K853 HydrophobicContact CE3-CB 4.34Å; W849-K853 HydrophobicContact CZ3-CB 4.35Å; W849-K853 HydrophobicContact CZ3-CD 4.3Å; W849-K853 WeakPolarHBondContact O-CB 3.26Å; W849-K853 PolarHBondContact O-N 3.07Å; H850-K853 PolarHBondContact O-N 3.43Å; K853-Y856 PolarHBondContact O-N 3.29Å; K853-N857 WeakPolarHBondContact O-CB 3.33Å; K853-N857 VanDerWaalsContact O-CG 3.23Å; K853-N857 PolarHBondContact O-N 2.63Å; K853-N857 PolarHBondContact O-ND2 2.81Å |
| 854 | T | 64.2 | Low | 60.1 | Low | 9 Ų | 9 | 110.8 Ų | 110.8 | 6% | 0.055 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -80.2 | -33.5 | -175.3 | -46 | 0 | 0 | 0 | 0 | 111.9 | H850 W851 I852 N857 K858 Q859 F861 | H850-T854 PolarHBondContact ND1-OG1 3.15Å; H850-T854 WeakPolarHBondContact O-CB 3.43Å; H850-T854 PolarHBondContact O-N 3.48Å; H850-T854 PolarHBondContact O-OG1 2.85Å; W851-T854 PolarHBondContact O-N 2.91Å; I852-T854 VanDerWaalsContact C-N 3.26Å; I852-T854 PolarHBondContact O-N 3.39Å; T854-N857 PolarHBondContact O-N 3.07Å; T854-K858 PolarHBondContact O-N 3.46Å; T854-K858 VanDerWaalsContact O-N 3.15Å; T854-Q859 HydrophobicContact CG2-CB 3.62Å; T854-Q859 WeakPolarHBondContact CG2-O 3.22Å; T854-Q859 PolarHBondContact O-N 2.95Å; T854-Q859 VanDerWaalsContact O-N 3.13Å; T854-F861 VanDerWaalsContact CB-CE2 3.48Å; T854-F861 HydrophobicContact CG2-CD2 3.64Å; T854-F861 HydrophobicContact CG2-CE2 3.87Å; T854-F861 WeakPolarHBondContact OG1-CE2 3.21Å |
| 855 | I | 66.8 | Low | 60.3 | Low | 97 Ų | 97 | 108.4 Ų | 108.4 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -44 | 168.1 | -74.2 | 176.7 | 0 | 0 | 0 | 111 | W851 I852 N857 K858 | W851-I855 HydrophobicContact CD2-CD1 3.61Å; W851-I855 VanDerWaalsContact CE2-CD1 3.43Å; W851-I855 HydrophobicContact CE3-CD1 3.61Å; W851-I855 HydrophobicContact CG-CD1 4.49Å; W851-I855 HydrophobicContact CH2-CD1 3.3Å; W851-I855 HydrophobicContact CZ2-CD1 3.3Å; W851-I855 HydrophobicContact CZ3-CD1 3.46Å; W851-I855 VanDerWaalsContact CZ3-CD1 3.46Å; W851-I855 WeakPolarHBondContact O-CG1 3.5Å; W851-I855 PolarHBondContact O-N 3Å; I852-I855 PolarHBondContact O-N 3.48Å; I855-N857 VanDerWaalsContact C-N 3.28Å; I855-N857 PolarHBondContact O-N 3.14Å; I855-K858 PolarHBondContact O-N 3.08Å |
| 856 | Y | 71.4 | Confident | 60.4 | Low | 197 Ų | 197 | 106.8 Ų | 106.8 | 77% | 0.773 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.1 | -37.6 | 177.1 | -168 | -94.6 | 0 | 0 | 0 | 111.9 | I852 K853 | I852-Y856 WeakPolarHBondContact O-CB 3.48Å; I852-Y856 PolarHBondContact O-N 2.63Å; K853-Y856 PolarHBondContact O-N 3.29Å |
| 857 | N | 66.7 | Low | 60.6 | Low | 83 Ų | 83 | 108 Ų | 108 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 3.3 | -178.9 | -68.6 | -10.6 | 0 | 0 | 0 | 114.9 | K853 T854 I855 Q859 | K853-N857 WeakPolarHBondContact O-CB 3.33Å; K853-N857 VanDerWaalsContact O-CG 3.23Å; K853-N857 PolarHBondContact O-N 2.63Å; K853-N857 PolarHBondContact O-ND2 2.81Å; T854-N857 PolarHBondContact O-N 3.07Å; I855-N857 VanDerWaalsContact C-N 3.28Å; I855-N857 PolarHBondContact O-N 3.14Å; N857-Q859 HydrophobicContact CB-CG 4.31Å; N857-Q859 PolarHBondContact O-N 3.35Å |
| 858 | K | 56.8 | Low | 60.3 | Low | 199 Ų | 199 | 109.6 Ų | 109.6 | 87% | 0.865 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 34.7 | -176.3 | -60.3 | -175.5 | 178.9 | 179.6 | 0 | 114.2 | T854 I855 | T854-K858 PolarHBondContact O-N 3.46Å; T854-K858 VanDerWaalsContact O-N 3.15Å; I855-K858 PolarHBondContact O-N 3.08Å |
| 859 | Q | 51.4 | Low | 59.7 | Low | 126 Ų | 126 | 114.2 Ų | 114.2 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -96.4 | 144.6 | 178.5 | -72.1 | -169 | -23.2 | 0 | 0 | 111.4 | T854 N857 | T854-Q859 HydrophobicContact CG2-CB 3.62Å; T854-Q859 WeakPolarHBondContact CG2-O 3.22Å; T854-Q859 PolarHBondContact O-N 2.95Å; T854-Q859 VanDerWaalsContact O-N 3.13Å; N857-Q859 HydrophobicContact CB-CG 4.31Å; N857-Q859 PolarHBondContact O-N 3.35Å |
| 860 | P | 50 | Low | 58.9 | Low | 96 Ų | 96 | 110.7 Ų | 110.7 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 141.6 | 176.3 | 27.9 | -32.2 | 0 | 0 | 0 | 111.7 | V912 | P860-V912 HydrophobicContact CG-CG2 4.1Š|
| 861 | F | 54.2 | Low | 58.1 | Low | 43 Ų | 43 | 112.8 Ų | 112.8 | 19% | 0.189 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -93.7 | 136.6 | -178 | -131.1 | -95.6 | 0 | 0 | 0 | 111.5 | Y847 W851 T854 I863 D864 | Y847-F861 AromaticContact CE1-CE1 3.76Å; Y847-F861 HydrophobicContact CE1-CE1 3.76Å; Y847-F861 HydrophobicContact CE2-CE1 4.36Å; Y847-F861 AromaticContact CZ-CE1 3.68Å; W851-F861 VanDerWaalsContact CA-CE2 3.45Å; W851-F861 HydrophobicContact CB-CE2 4.11Å; W851-F861 HydrophobicContact CB-CZ 3.91Å; W851-F861 HydrophobicContact CG-CE2 4.38Å; W851-F861 HydrophobicContact CG-CZ 4.38Å; T854-F861 VanDerWaalsContact CB-CE2 3.48Å; T854-F861 HydrophobicContact CG2-CD2 3.64Å; T854-F861 HydrophobicContact CG2-CE2 3.87Å; T854-F861 WeakPolarHBondContact OG1-CE2 3.21Å; F861-I863 WeakPolarHBondContact CD1-O 3.33Å; F861-D864 HydrophobicContact CB-CB 4.16Å |
| 862 | F | 47.3 | Very low | 57.2 | Low | 155 Ų | 155 | 117.6 Ų | 117.6 | 68% | 0.68 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -63.2 | -42.1 | -179.7 | 173.7 | -128.1 | 0 | 0 | 0 | 113.2 | G911 | F862-G911 VanDerWaalsContact CD2-CA 3.42Š|
| 863 | I | 53 | Low | 55.9 | Low | 94 Ų | 94 | 115.5 Ų | 115.5 | 48% | 0.482 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -138.9 | 93.6 | 174.5 | -63.2 | 176 | 0 | 0 | 0 | 106.7 | Y847 F861 T865 | Y847-I863 PolarHBondContact OH-O 3.17Å; F861-I863 WeakPolarHBondContact CD1-O 3.33Å; I863-T865 VanDerWaalsContact C-N 3.28Å; I863-T865 PolarHBondContact O-N 3Å; I863-T865 PolarHBondContact O-OG1 3.35Å |
| 864 | D | 58.2 | Low | 54.9 | Low | 48 Ų | 48 | 113.9 Ų | 113.9 | 26% | 0.257 | 56% | 0.564 | S | S | . | * | trans | -77.5 | 85.1 | 173.7 | -163.9 | -14.2 | 0 | 0 | 0 | 109.6 | W851 F861 F866 R867 | W851-D864 PolarHBondContact NE1-OD1 3.21Å; F861-D864 HydrophobicContact CB-CB 4.16Å; D864-F866 PolarHBondContact O-N 3.22Å; D864-F866 VanDerWaalsContact O-N 3.12Å; D864-F866 WeakPolarHBondContact OD1-CA 3.36Å; D864-F866 WeakPolarHBondContact OD1-CB 3.44Å; D864-F866 PolarHBondContact OD1-N 2.88Å; D864-R867 HydrophobicContact CB-CB 4.37Å; D864-R867 CarbonylContact O-C 3.11Å; D864-R867 PolarHBondContact O-N 3.26Å; D864-R867 VanDerWaalsContact O-N 3.07Å; D864-R867 PolarHBondContact OD1-N 2.86Å; D864-R867 WeakPolarHBondContact OD2-CB 3.43Å | ||
| 865 | T | 58.4 | Low | 53.7 | Low | 92 Ų | 92 | 120.4 Ų | 120.4 | 56% | 0.564 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -20.7 | 176 | -18 | 0 | 0 | 0 | 0 | 111.9 | Y847 I863 | Y847-T865 VanDerWaalsContact CE1-OG1 3.3Å; Y847-T865 WeakPolarHBondContact CE1-OG1 3.34Å; I863-T865 VanDerWaalsContact C-N 3.28Å; I863-T865 PolarHBondContact O-N 3Å; I863-T865 PolarHBondContact O-OG1 3.35Å |
| 866 | F | 57.8 | Low | 52.1 | Low | 128 Ų | 128 | 120 Ų | 120 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -16.1 | 178.2 | -61.4 | -77.6 | 0 | 0 | 0 | 113.4 | W851 D864 | W851-F866 AromaticContact CD1-CD2 3.69Å; W851-F866 AromaticContact CD2-CD2 3.96Å; W851-F866 HydrophobicContact CD2-CD2 3.96Å; W851-F866 HydrophobicContact CD2-CE2 4.31Å; W851-F866 AromaticContact CE2-CD2 3.65Å; W851-F866 AromaticContact CG-CD2 3.96Å; W851-F866 HydrophobicContact CG-CD2 3.96Å; W851-F866 HydrophobicContact CG-CE2 4.18Å; W851-F866 HydrophobicContact CZ2-CB 3.86Å; W851-F866 HydrophobicContact CZ2-CD2 4.23Å; W851-F866 HydrophobicContact CZ2-CG 4.17Å; W851-F866 AromaticContact NE1-CD2 3.48Å; D864-F866 PolarHBondContact O-N 3.22Å; D864-F866 VanDerWaalsContact O-N 3.12Å; D864-F866 WeakPolarHBondContact OD1-CA 3.36Å; D864-F866 WeakPolarHBondContact OD1-CB 3.44Å; D864-F866 PolarHBondContact OD1-N 2.88Å |
| 867 | R | 58.5 | Low | 50.1 | Low | 198 Ų | 198 | 113.5 Ų | 113.5 | 75% | 0.747 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -135.9 | 79.8 | 168.1 | -79.6 | 179.3 | 167.9 | -178.2 | -1.5 | 111.7 | D864 L869 | D864-R867 HydrophobicContact CB-CB 4.37Å; D864-R867 CarbonylContact O-C 3.11Å; D864-R867 PolarHBondContact O-N 3.26Å; D864-R867 VanDerWaalsContact O-N 3.07Å; D864-R867 PolarHBondContact OD1-N 2.86Å; D864-R867 WeakPolarHBondContact OD2-CB 3.43Å; R867-L869 PolarHBondContact O-N 3.12Å |
| 868 | P | 54.9 | Low | 48.3 | Very low | 112 Ų | 112 | 113.9 Ų | 113.9 | 73% | 0.727 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 122.4 | 172.9 | 25.6 | -32.7 | 0 | 0 | 0 | 110.6 | ||
| 869 | L | 52.5 | Low | 47.1 | Very low | 136 Ų | 136 | 113 Ų | 113 | 71% | 0.712 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 138.9 | 171 | -72.1 | 168 | 0 | 0 | 0 | 109.6 | R867 L871 | R867-L869 PolarHBondContact O-N 3.12Å; L869-L871 PolarHBondContact O-N 2.87Å |
| 870 | P | 49.1 | Very low | 46.4 | Very low | 112 Ų | 112 | 110 Ų | 110 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 127 | 177.3 | 22.2 | -30.9 | 0 | 0 | 0 | 110.7 | K872 | P870-K872 PolarHBondContact O-N 2.74Š|
| 871 | L | 43.7 | Very low | 46.2 | Very low | 154 Ų | 154 | 112.5 Ų | 112.5 | 81% | 0.806 | 61% | 0.607 | S | S | * | * | trans | -58.3 | 105.5 | -179.9 | -173.6 | 84.3 | 0 | 0 | 0 | 110.1 | L869 | L869-L871 PolarHBondContact O-N 2.87Š| ||
| 872 | K | 47.3 | Very low | 46.2 | Very low | 172 Ų | 172 | 114.8 Ų | 114.8 | 75% | 0.748 | 62% | 0.617 | S | S | * | * | trans | -81.9 | 117.9 | 160.8 | -71.5 | -177.4 | 179.2 | 178.4 | 0 | 106.8 | P870 I874 | P870-K872 PolarHBondContact O-N 2.74Å; K872-I874 WeakPolarHBondContact O-CG1 3.49Å; K872-I874 PolarHBondContact O-N 3.26Å | ||
| 873 | P | 42.4 | Very low | 46.7 | Very low | 60 Ų | 60 | 111.3 Ų | 111.3 | 39% | 0.39 | 61% | 0.612 | S | S | . | * | trans | -54.9 | 118.2 | -175.5 | 19.1 | -29.8 | 0 | 0 | 0 | 110 | Y875 | P873-Y875 PolarHBondContact O-N 3.31Š| ||
| 874 | I | 47.9 | Very low | 47.5 | Very low | 81 Ų | 81 | 108.3 Ų | 108.3 | 42% | 0.415 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -75.8 | -21.2 | -175.6 | -58.4 | 177.1 | 0 | 0 | 0 | 110.2 | K872 R884 | K872-I874 WeakPolarHBondContact O-CG1 3.49Å; K872-I874 PolarHBondContact O-N 3.26Å; I874-R884 PolarHBondContact O-NH2 2.82Å |
| 875 | Y | 40.3 | Very low | 48.5 | Very low | 145 Ų | 145 | 106.5 Ų | 106.5 | 57% | 0.569 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -144.7 | 138.1 | 177.3 | -64.8 | -81.9 | 0 | 0 | 0 | 109 | P873 | P873-Y875 PolarHBondContact O-N 3.31Š|
| 876 | G | 32.9 | Very low | 49.5 | Very low | 89 Ų | 89 | 103.3 Ų | 103.3 | 92% | 0.918 | 57% | 0.566 | S | S | * | * | trans | 79.3 | 44 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 877 | S | 28.3 | Very low | 50.5 | Low | 60 Ų | 60 | 97.2 Ų | 97.2 | 42% | 0.42 | 54% | 0.539 | S | S | . | . | trans | -102.8 | 123.1 | 153.2 | 66.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 878 | A | 28.7 | Very low | 51.2 | Low | 92 Ų | 92 | 87.9 Ų | 87.9 | 76% | 0.76 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.5 | 137.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 879 | L | 31.6 | Very low | 51.7 | Low | 179 Ų | 179 | 83.1 Ų | 83.1 | 94% | 0.937 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | 11.3 | 159 | -67.8 | 151.3 | 0 | 0 | 0 | 122.1 | ||
| 880 | S | 37.1 | Very low | 52.4 | Low | 63 Ų | 63 | 81 Ų | 81 | 44% | 0.441 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -151.1 | 121.9 | 172.8 | 76.4 | 0 | 0 | 0 | 0 | 116.1 | K882 | S880-K882 VanDerWaalsContact C-N 3.27Å; S880-K882 WeakPolarHBondContact O-CB 3.47Å; S880-K882 WeakPolarHBondContact O-CG 3.46Å; S880-K882 PolarHBondContact O-N 3.38Å |
| 881 | E | 46.9 | Very low | 53 | Low | 150 Ų | 150 | 79.6 Ų | 79.6 | 70% | 0.701 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 46 | 2.1 | 149.9 | -65.1 | -174.9 | 144 | 0 | 0 | 122.3 | ||
| 882 | K | 52.9 | Low | 53.7 | Low | 91 Ų | 91 | 74 Ų | 74 | 40% | 0.396 | 44% | 0.441 | S | S | . | . | trans | -114.9 | 10.7 | -159 | -68.3 | 176 | -178.4 | 175.2 | 0 | 117.7 | S880 R884 | S880-K882 VanDerWaalsContact C-N 3.27Å; S880-K882 WeakPolarHBondContact O-CB 3.47Å; S880-K882 WeakPolarHBondContact O-CG 3.46Å; S880-K882 PolarHBondContact O-N 3.38Å; K882-R884 PolarHBondContact O-N 3.46Å | ||
| 883 | S | 57.3 | Low | 54.6 | Low | 82 Ų | 82 | 66.9 Ų | 66.9 | 57% | 0.573 | 42% | 0.417 | S | S | * | . | trans | -76.9 | 118.9 | 178.5 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | F899 | S883-F899 WeakPolarHBondContact O-CD1 3.43Å; S883-F899 PolarHBondContact O-N 2.8Å | ||
| 884 | R | 70.9 | Confident | 56 | Low | 31 Ų | 31 | 65.5 Ų | 65.5 | 12% | 0.117 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 151.3 | -177 | 59.4 | -167 | 166.7 | -137 | -9.1 | 111.1 | I874 K882 R897 E917 | I874-R884 PolarHBondContact O-NH2 2.82Å; K882-R884 PolarHBondContact O-N 3.46Å; R884-R897 WeakPolarHBondContact CA-O 3.47Å; R884-R897 WeakPolarHBondContact CB-O 3.37Å; R884-E917 IonicContact CZ-OE1 3.78Å; R884-E917 IonicContact NH1-OE1 3.68Å; R884-E917 PolarHBondContact NH1-OE1 3.11Å; R884-E917 VanDerWaalsContact NH1-OE1 3.08Å; R884-E917 IonicContact NH2-OE1 3.45Å |
| 885 | V | 78.5 | Confident | 57.5 | Low | 9 Ų | 9 | 61.7 Ų | 61.7 | 6% | 0.055 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.9 | 171.9 | 172.3 | 0 | 0 | 0 | 0 | 108.5 | R897 Y965 Y969 A972 Q989 | V885-R897 PolarHBondContact N-O 3.29Å; V885-R897 PolarHBondContact O-N 3.14Å; V885-Y965 WeakPolarHBondContact CB-OH 3.2Å; V885-Y965 WeakPolarHBondContact CG2-OH 3.41Å; V885-Y965 PolarHBondContact N-OH 3.22Å; V885-Y969 HydrophobicContact CG1-CD2 4.28Å; V885-A972 HydrophobicContact CB-CB 4.01Å; V885-A972 HydrophobicContact CG1-CB 4.16Å; V885-A972 HydrophobicContact CG2-CB 4.1Å; V885-Q989 PolarHBondContact O-NE2 3Å |
| 886 | P | 79.5 | Confident | 59.3 | Low | 25 Ų | 25 | 55 Ų | 55 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 140.1 | -179.3 | 26.9 | -33.2 | 0 | 0 | 0 | 111.4 | Y969 Q989 S991 | P886-Y969 HydrophobicContact CG-CD2 3.68Å; P886-Y969 HydrophobicContact CG-CE2 3.81Å; P886-Q989 PolarHBondContact O-NE2 2.79Å; P886-S991 PolarHBondContact O-OG 3.44Å |
| 887 | C | 79.4 | Confident | 61.6 | Low | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 106.7 | 164.1 | -56.4 | 0 | 0 | 0 | 0 | 107.5 | S894 I895 Q989 T1006 | C887-S894 WeakPolarHBondContact O-CA 3.43Å; C887-I895 WeakPolarHBondContact CA-O 3.27Å; C887-I895 HydrophobicContact CB-CB 4.46Å; C887-I895 WeakPolarHBondContact CB-O 3.3Å; C887-I895 PolarHBondContact N-O 2.82Å; C887-I895 PolarHBondContact O-N 2.92Å; C887-Q989 PolarHBondContact SG-NE2 2.89Å; C887-Q989 PolarHBondContact SG-OE1 2.8Å; C887-T1006 VanDerWaalsContact C-OG1 3.24Å; C887-T1006 VanDerWaalsContact CA-OG1 3.3Å; C887-T1006 WeakPolarHBondContact CA-OG1 3.45Å; C887-T1006 HydrophobicContact CB-CG2 3.92Å; C887-T1006 WeakPolarHBondContact CB-OG1 3.07Å |
| 888 | G | 72.1 | Confident | 63.9 | Low | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 142.5 | 164 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S991 T1006 | G888-S991 PolarHBondContact N-OG 2.87Å; G888-S991 WeakPolarHBondContact O-CB 3.47Å; G888-T1006 PolarHBondContact N-OG1 3.08Å |
| 889 | T | 65.9 | Low | 66.4 | Low | 11 Ų | 11 | 47.6 Ų | 47.6 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | trans | -101.4 | -169.9 | -173.5 | 67.3 | 0 | 0 | 0 | 0 | 111 | G891 P992 S1001 S1002 L1003 | T889-G891 PolarHBondContact O-N 3.36Å; T889-P992 HydrophobicContact CG2-CG 4.13Å; T889-P992 VanDerWaalsContact CG2-O 3.25Å; T889-P992 WeakPolarHBondContact CG2-O 3.5Å; T889-S1001 WeakPolarHBondContact CB-O 3.31Å; T889-S1001 PolarHBondContact OG1-O 3.35Å; T889-S1001 VanDerWaalsContact OG1-O 3.13Å; T889-S1002 PolarHBondContact OG1-O 3.02Å; T889-L1003 WeakPolarHBondContact CB-O 3.4Å; T889-L1003 WeakPolarHBondContact CG2-O 3.31Å; T889-L1003 PolarHBondContact OG1-N 2.88Å; T889-L1003 PolarHBondContact OG1-O 2.99Å | ||
| 890 | I | 68.5 | Low | 68.8 | Low | 92 Ų | 92 | 42.5 Ų | 42.5 | 47% | 0.472 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -80 | 120 | -171.9 | -59.8 | 174.2 | 0 | 0 | 0 | 109 | V993 S1001 S1002 | I890-V993 HydrophobicContact CD1-CG1 3.96Å; I890-V993 HydrophobicContact CD1-CG2 4.31Å; I890-V993 HydrophobicContact CG1-CG2 4.45Å; I890-S1001 PolarHBondContact N-O 3.33Å; I890-S1001 VanDerWaalsContact N-O 3.14Å; I890-S1002 WeakPolarHBondContact O-CA 3.42Å |
| 891 | G | 61.8 | Low | 70.8 | Confident | 83 Ų | 83 | 39.6 Ų | 39.6 | 86% | 0.856 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 96.1 | -3.8 | 165 | 0 | 0 | 0 | 0 | 0 | 117.3 | T889 | T889-G891 PolarHBondContact O-N 3.36Š|
| 892 | S | 57.8 | Low | 72.4 | Confident | 35 Ų | 35 | 32.4 Ų | 32.4 | 25% | 0.245 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -127.7 | 48.3 | -172.2 | 57 | 0 | 0 | 0 | 0 | 113.9 | S1002 P1004 | S892-S1002 WeakPolarHBondContact CB-O 3.37Å; S892-S1002 PolarHBondContact OG-O 3.41Å; S892-P1004 WeakPolarHBondContact O-CB 3.38Å; S892-P1004 WeakPolarHBondContact OG-CB 3.39Å; S892-P1004 WeakPolarHBondContact OG-CD 3.49Å |
| 893 | G | 65.1 | Low | 73.7 | Confident | 23 Ų | 23 | 28.4 Ų | 28.4 | 24% | 0.237 | 18% | 0.18 | C | C | . | . | trans | 66.5 | 165.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T907 | G893-T907 WeakPolarHBondContact CA-O 3.37Š| ||
| 894 | S | 72.9 | Confident | 74.7 | Confident | 31 Ų | 31 | 25 Ų | 25 | 22% | 0.217 | 16% | 0.156 | C | C | . | . | trans | -158.6 | 155.2 | -173 | 66.6 | 0 | 0 | 0 | 0 | 111.2 | C887 T907 | C887-S894 WeakPolarHBondContact O-CA 3.43Å; S894-T907 PolarHBondContact N-O 2.92Å; S894-T907 PolarHBondContact N-OG1 2.78Å; S894-T907 PolarHBondContact O-N 3.01Å; S894-T907 PolarHBondContact O-OG1 3.25Å; S894-T907 VanDerWaalsContact O-OG1 3.1Å; S894-T907 PolarHBondContact OG-OG1 3.25Å | ||
| 895 | I | 78.7 | Confident | 74.7 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.1 | 168.4 | -55.9 | -176.6 | 0 | 0 | 0 | 107.3 | F819 C887 F903 F906 M908 F1029 | F819-I895 HydrophobicContact CD1-CD1 4.24Å; F819-I895 HydrophobicContact CE1-CD1 3.28Å; F819-I895 HydrophobicContact CE1-CG1 4.23Å; F819-I895 HydrophobicContact CE2-CD1 4.49Å; F819-I895 HydrophobicContact CZ-CD1 3.45Å; F819-I895 VanDerWaalsContact CZ-CD1 3.45Å; F819-I895 HydrophobicContact CZ-CG1 4.13Å; C887-I895 WeakPolarHBondContact CA-O 3.27Å; C887-I895 HydrophobicContact CB-CB 4.46Å; C887-I895 WeakPolarHBondContact CB-O 3.3Å; C887-I895 PolarHBondContact N-O 2.82Å; C887-I895 PolarHBondContact O-N 2.92Å; I895-F903 HydrophobicContact CG2-CB 4.43Å; I895-F903 HydrophobicContact CG2-CD1 3.9Å; I895-F906 HydrophobicContact CB-CD1 4.4Å; I895-F906 HydrophobicContact CD1-CD1 3.75Å; I895-F906 HydrophobicContact CD1-CE1 3.8Å; I895-F906 HydrophobicContact CG1-CD1 3.82Å; I895-F906 HydrophobicContact CG1-CE1 4.22Å; I895-F906 HydrophobicContact CG2-CD1 3.83Å; I895-F906 HydrophobicContact CG2-CE1 3.64Å; I895-F906 HydrophobicContact CG2-CE2 4.46Å; I895-F906 HydrophobicContact CG2-CG 4.37Å; I895-F906 HydrophobicContact CG2-CZ 3.96Å; I895-M908 HydrophobicContact CG1-CG 4.46Å; I895-M908 HydrophobicContact CG1-SD 4.21Å; I895-F1029 HydrophobicContact CD1-CE2 4.09Å; I895-F1029 HydrophobicContact CD1-CZ 4.21Å |
| 896 | G | 78.2 | Confident | 74.5 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 142 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F903 C904 K905 | G896-F903 CarbonylContact O-C 3.56Å; G896-F903 WeakPolarHBondContact O-CA 3.35Å; G896-C904 CarbonylContact C-O 3.57Å; G896-C904 WeakPolarHBondContact CA-O 3.32Å; G896-C904 PolarHBondContact N-O 3.36Å; G896-C904 PolarHBondContact O-N 3.48Å; G896-K905 PolarHBondContact N-O 2.85Å |
| 897 | R | 81.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122 | 165.9 | -165.2 | -178.4 | -176.3 | -168.1 | 2.9 | 110.4 | R884 V885 G902 C987 | R884-R897 WeakPolarHBondContact CA-O 3.47Å; R884-R897 WeakPolarHBondContact CB-O 3.37Å; V885-R897 PolarHBondContact N-O 3.29Å; V885-R897 PolarHBondContact O-N 3.14Å; R897-G902 WeakPolarHBondContact CA-O 3.41Å; R897-C987 PolarHBondContact NH1-SG 3.28Å |
| 898 | D | 77.6 | Confident | 73.6 | Confident | 12 Ų | 12 | 25.6 Ų | 25.6 | 6% | 0.064 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 165.5 | -177.6 | 83.1 | 1.3 | 0 | 0 | 0 | 112.6 | R900 G901 G902 | D898-R900 PolarHBondContact O-N 3.43Å; D898-R900 VanDerWaalsContact O-N 3.15Å; D898-R900 WeakPolarHBondContact OD1-CA 3.45Å; D898-R900 WeakPolarHBondContact OD1-CB 3.31Å; D898-R900 PolarHBondContact OD1-N 2.9Å; D898-R900 IonicContact OD2-CZ 2.76Å; D898-R900 IonicContact OD2-NE 3.98Å; D898-R900 PolarHBondContact OD2-NE 3.32Å; D898-R900 IonicContact OD2-NH2 3.79Å; D898-R900 PolarHBondContact OD2-NH2 3.49Å; D898-G901 PolarHBondContact O-N 3.04Å; D898-G901 VanDerWaalsContact O-N 3.12Å; D898-G901 PolarHBondContact OD1-N 3.47Å; D898-G902 PolarHBondContact N-O 3.01Å; D898-G902 PolarHBondContact OD1-N 2.83Å |
| 899 | F | 80.6 | Confident | 73.2 | Confident | 74 Ų | 74 | 26.6 Ų | 26.6 | 33% | 0.325 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.9 | 178.2 | 72.5 | -84.7 | 0 | 0 | 0 | 114.3 | S883 Y965 | S883-F899 WeakPolarHBondContact O-CD1 3.43Å; S883-F899 PolarHBondContact O-N 2.8Å; F899-Y965 HydrophobicContact CB-CD1 3.45Å; F899-Y965 VanDerWaalsContact CB-CD1 3.45Å; F899-Y965 HydrophobicContact CB-CE1 3.96Å; F899-Y965 HydrophobicContact CB-CG 3.77Å |
| 900 | R | 81 | Confident | 72.8 | Confident | 72 Ų | 72 | 30.7 Ų | 30.7 | 27% | 0.272 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -7 | 178.8 | -61.8 | 173 | -66.6 | -166.1 | 1.9 | 112 | D898 T942 A943 V944 | D898-R900 PolarHBondContact O-N 3.43Å; D898-R900 VanDerWaalsContact O-N 3.15Å; D898-R900 WeakPolarHBondContact OD1-CA 3.45Å; D898-R900 WeakPolarHBondContact OD1-CB 3.31Å; D898-R900 PolarHBondContact OD1-N 2.9Å; D898-R900 IonicContact OD2-CZ 2.76Å; D898-R900 IonicContact OD2-NE 3.98Å; D898-R900 PolarHBondContact OD2-NE 3.32Å; D898-R900 IonicContact OD2-NH2 3.79Å; D898-R900 PolarHBondContact OD2-NH2 3.49Å; R900-T942 WeakPolarHBondContact O-CA 3.21Å; R900-A943 HydrophobicContact CB-CB 4.08Å; R900-A943 HydrophobicContact CG-CB 4.46Å; R900-A943 PolarHBondContact O-N 2.96Å; R900-V944 HydrophobicContact CB-CG2 3.54Å; R900-V944 HydrophobicContact CG-CG2 4.4Å |
| 901 | G | 79.3 | Confident | 72 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 99.8 | -0.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D898 | D898-G901 PolarHBondContact O-N 3.04Å; D898-G901 VanDerWaalsContact O-N 3.12Å; D898-G901 PolarHBondContact OD1-N 3.47Å |
| 902 | G | 80.5 | Confident | 71.8 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -87.5 | 144.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R897 D898 | R897-G902 WeakPolarHBondContact CA-O 3.41Å; D898-G902 PolarHBondContact N-O 3.01Å; D898-G902 PolarHBondContact OD1-N 2.83Å | ||
| 903 | F | 81.8 | Confident | 71.8 | Confident | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 133.8 | 172.4 | -69.3 | -97 | 0 | 0 | 0 | 110.6 | I895 G896 F906 V920 D923 F925 F1008 F1027 | I895-F903 HydrophobicContact CG2-CB 4.43Å; I895-F903 HydrophobicContact CG2-CD1 3.9Å; G896-F903 CarbonylContact O-C 3.56Å; G896-F903 WeakPolarHBondContact O-CA 3.35Å; F903-F906 HydrophobicContact CB-CZ 4.22Å; F903-V920 PolarHBondContact O-N 2.59Å; F903-D923 HydrophobicContact CB-CB 4.1Å; F903-D923 HydrophobicContact CD2-CB 4.38Å; F903-D923 WeakPolarHBondContact CD2-O 3.36Å; F903-D923 HydrophobicContact CG-CB 4.36Å; F903-F925 HydrophobicContact CE2-CD2 4.19Å; F903-F925 AromaticContact CE2-CE2 3.9Å; F903-F925 HydrophobicContact CE2-CE2 3.9Å; F903-F925 AromaticContact CZ-CE2 3.77Å; F903-F925 HydrophobicContact CZ-CE2 3.77Å; F903-F925 HydrophobicContact CZ-CZ 4.39Å; F903-F1008 HydrophobicContact CE1-CZ 4.05Å; F903-F1008 HydrophobicContact CZ-CZ 4.01Å; F903-F1027 HydrophobicContact CE1-CE2 4.49Å; F903-F1027 AromaticContact CE2-CE2 3.78Å; F903-F1027 HydrophobicContact CE2-CE2 3.78Å; F903-F1027 AromaticContact CZ-CE2 3.64Å; F903-F1027 HydrophobicContact CZ-CE2 3.64Å; F903-F1027 HydrophobicContact CZ-CZ 4.1Å |
| 904 | C | 77.1 | Confident | 71.6 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 7% | 0.074 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 172 | -173.5 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | G896 | G896-C904 CarbonylContact C-O 3.57Å; G896-C904 WeakPolarHBondContact CA-O 3.32Å; G896-C904 PolarHBondContact N-O 3.36Å; G896-C904 PolarHBondContact O-N 3.48Å |
| 905 | K | 72.1 | Confident | 70.8 | Confident | 44 Ų | 44 | 32.3 Ų | 32.3 | 19% | 0.191 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 49.5 | 71.6 | 170.8 | -166.3 | -176.9 | 178.3 | -178.9 | 0 | 113.2 | G896 T907 | G896-K905 PolarHBondContact N-O 2.85Å; K905-T907 HydrophobicContact CG-CG2 4.47Å |
| 906 | F | 73.9 | Confident | 69.7 | Low | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 125.2 | 179.6 | -64.6 | -104.3 | 0 | 0 | 0 | 109.7 | I895 F903 E914 V920 D923 G1032 | I895-F906 HydrophobicContact CB-CD1 4.4Å; I895-F906 HydrophobicContact CD1-CD1 3.75Å; I895-F906 HydrophobicContact CD1-CE1 3.8Å; I895-F906 HydrophobicContact CG1-CD1 3.82Å; I895-F906 HydrophobicContact CG1-CE1 4.22Å; I895-F906 HydrophobicContact CG2-CD1 3.83Å; I895-F906 HydrophobicContact CG2-CE1 3.64Å; I895-F906 HydrophobicContact CG2-CE2 4.46Å; I895-F906 HydrophobicContact CG2-CG 4.37Å; I895-F906 HydrophobicContact CG2-CZ 3.96Å; F903-F906 HydrophobicContact CB-CZ 4.22Å; F906-E914 VanDerWaalsContact O-CB 3.32Å; F906-E914 WeakPolarHBondContact O-CB 3.3Å; F906-E914 WeakPolarHBondContact O-CG 3.32Å; F906-V920 HydrophobicContact CD2-CG2 4.21Å; F906-V920 HydrophobicContact CE2-CB 4.08Å; F906-V920 HydrophobicContact CE2-CG2 3.37Å; F906-V920 HydrophobicContact CZ-CB 4.03Å; F906-V920 HydrophobicContact CZ-CG2 3.7Å; F906-D923 WeakPolarHBondContact CZ-OD2 3.5Å; F906-G1032 WeakPolarHBondContact CB-O 3.3Å; F906-G1032 VanDerWaalsContact CD1-C 3.47Å |
| 907 | T | 70.7 | Confident | 68.7 | Low | 21 Ų | 21 | 42.5 Ų | 42.5 | 13% | 0.129 | 22% | 0.221 | C | C | . | . | trans | -127.2 | 48.5 | 179.3 | 70.4 | 0 | 0 | 0 | 0 | 110.6 | G893 S894 K905 V913 | G893-T907 WeakPolarHBondContact CA-O 3.37Å; S894-T907 PolarHBondContact N-O 2.92Å; S894-T907 PolarHBondContact N-OG1 2.78Å; S894-T907 PolarHBondContact O-N 3.01Å; S894-T907 PolarHBondContact O-OG1 3.25Å; S894-T907 VanDerWaalsContact O-OG1 3.1Å; S894-T907 PolarHBondContact OG-OG1 3.25Å; K905-T907 HydrophobicContact CG-CG2 4.47Å; T907-V913 HydrophobicContact CG2-CB 4.48Å; T907-V913 HydrophobicContact CG2-CG1 4.02Å; T907-V913 HydrophobicContact CG2-CG2 4.47Å | ||
| 908 | M | 67.8 | Low | 67.8 | Low | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.059 | 24% | 0.244 | C | C | . | . | trans | -82.9 | -17.6 | -177 | -65.2 | -54.5 | -62.1 | 0 | 0 | 113.7 | F819 I895 P910 G1032 Y1074 | F819-M908 HydrophobicContact CB-CE 3.81Å; F819-M908 HydrophobicContact CD1-CE 3.97Å; F819-M908 HydrophobicContact CD1-SD 4.31Å; F819-M908 HydrophobicContact CG-CE 4.09Å; I895-M908 HydrophobicContact CG1-CG 4.46Å; I895-M908 HydrophobicContact CG1-SD 4.21Å; M908-P910 WeakPolarHBondContact O-CD 3.44Å; M908-G1032 WeakPolarHBondContact CG-O 3.1Å; M908-Y1074 HydrophobicContact CE-CE1 4.13Å | ||
| 909 | L | 63.7 | Low | 67.5 | Low | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -86.4 | 115.6 | 175.4 | -73.5 | 168.1 | 0 | 0 | 0 | 109.7 | G911 V912 L1038 L1067 L1070 | L909-G911 PolarHBondContact O-N 3.24Å; L909-V912 HydrophobicContact CB-CB 3.93Å; L909-V912 HydrophobicContact CB-CG2 4.39Å; L909-V912 PolarHBondContact O-N 2.97Å; L909-L1038 HydrophobicContact CD1-CD2 4.18Å; L909-L1067 HydrophobicContact CD2-CB 4.15Å; L909-L1070 HydrophobicContact CD2-CD2 4.23Å |
| 910 | P | 57.9 | Low | 67.3 | Low | 97 Ų | 97 | 45.3 Ų | 45.3 | 63% | 0.63 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | 131.1 | 173.9 | -23.1 | 33.1 | 0 | 0 | 0 | 109.8 | M908 V912 | M908-P910 WeakPolarHBondContact O-CD 3.44Å; P910-V912 VanDerWaalsContact C-N 3.34Å; P910-V912 PolarHBondContact O-N 3.18Å |
| 911 | G | 52.6 | Low | 67 | Low | 29 Ų | 29 | 43.3 Ų | 43.3 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -19 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F862 L909 | F862-G911 VanDerWaalsContact CD2-CA 3.42Å; L909-G911 PolarHBondContact O-N 3.24Å |
| 912 | V | 57.1 | Low | 66.9 | Low | 51 Ų | 51 | 44.3 Ų | 44.3 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | trans | -125.2 | 114 | -167.9 | -176 | 0 | 0 | 0 | 0 | 110.6 | P860 L909 P910 | P860-V912 HydrophobicContact CG-CG2 4.1Å; L909-V912 HydrophobicContact CB-CB 3.93Å; L909-V912 HydrophobicContact CB-CG2 4.39Å; L909-V912 PolarHBondContact O-N 2.97Å; P910-V912 VanDerWaalsContact C-N 3.34Å; P910-V912 PolarHBondContact O-N 3.18Å | ||
| 913 | V | 57.2 | Low | 67 | Low | 61 Ų | 61 | 44.3 Ų | 44.3 | 37% | 0.37 | 24% | 0.238 | S | C | . | . | trans | -89.4 | 113.2 | 166.8 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | T907 H915 | T907-V913 HydrophobicContact CG2-CB 4.48Å; T907-V913 HydrophobicContact CG2-CG1 4.02Å; T907-V913 HydrophobicContact CG2-CG2 4.47Å; V913-H915 VanDerWaalsContact C-N 3.29Å; V913-H915 PolarHBondContact O-CD2 3.1Å; V913-H915 PolarHBondContact O-N 3.47Å | ||
| 914 | E | 61.6 | Low | 67.2 | Low | 28 Ų | 28 | 44 Ų | 44 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | trans | -69 | 93.5 | 168.2 | -57.8 | -175.3 | 177.9 | 0 | 0 | 107.5 | F906 E916 T1033 R1034 | F906-E914 VanDerWaalsContact O-CB 3.32Å; F906-E914 WeakPolarHBondContact O-CB 3.3Å; F906-E914 WeakPolarHBondContact O-CG 3.32Å; E914-E916 PolarHBondContact O-N 3.07Å; E914-E916 VanDerWaalsContact O-N 3.17Å; E914-T1033 WeakPolarHBondContact OE1-CB 3.36Å; E914-T1033 PolarHBondContact OE1-OG1 3.37Å; E914-T1033 PolarHBondContact OE2-OG1 3.24Å; E914-R1034 PolarHBondContact OE2-N 3.41Å | ||
| 915 | H | 55.1 | Low | 67.7 | Low | 130 Ų | 130 | 43.7 Ų | 43.7 | 60% | 0.602 | 23% | 0.234 | S | C | * | . | trans | -71.8 | -1.3 | -175.7 | -73.3 | -67.8 | 0 | 0 | 0 | 114 | V913 E917 | V913-H915 VanDerWaalsContact C-N 3.29Å; V913-H915 PolarHBondContact O-CD2 3.1Å; V913-H915 PolarHBondContact O-N 3.47Å; H915-E917 PolarHBondContact O-N 3.14Å | ||
| 916 | E | 57.3 | Low | 68.5 | Low | 114 Ų | 114 | 42.5 Ų | 42.5 | 53% | 0.533 | 23% | 0.23 | S | C | . | . | trans | -79.1 | 108.3 | 178.3 | -62.5 | -177.2 | 141.8 | 0 | 0 | 108.8 | E914 E918 R1034 | E914-E916 PolarHBondContact O-N 3.07Å; E914-E916 VanDerWaalsContact O-N 3.17Å; E916-E918 PolarHBondContact O-N 3.38Å; E916-E918 VanDerWaalsContact O-N 3.09Å; E916-R1034 VanDerWaalsContact CB-NH1 3.34Å; E916-R1034 IonicContact OE1-NH1 3.13Å; E916-R1034 PolarHBondContact OE1-NH1 2.68Å; E916-R1034 IonicContact OE2-CZ 2.89Å; E916-R1034 IonicContact OE2-NH1 3.68Å; E916-R1034 PolarHBondContact OE2-NH1 2.8Å | ||
| 917 | E | 56.7 | Low | 69.3 | Low | 105 Ų | 105 | 42.4 Ų | 42.4 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | trans | -78.8 | 16.6 | -171.3 | -57.6 | -168.4 | 124.4 | 0 | 0 | 113.7 | R884 H915 | R884-E917 IonicContact CZ-OE1 3.78Å; R884-E917 IonicContact NH1-OE1 3.68Å; R884-E917 PolarHBondContact NH1-OE1 3.11Å; R884-E917 VanDerWaalsContact NH1-OE1 3.08Å; R884-E917 IonicContact NH2-OE1 3.45Å; H915-E917 PolarHBondContact O-N 3.14Å | ||
| 918 | E | 62.9 | Low | 70.1 | Confident | 105 Ų | 105 | 42.1 Ų | 42.1 | 49% | 0.491 | 23% | 0.227 | S | C | . | . | trans | -80.1 | 145 | -176 | -76.9 | -174.7 | -145.7 | 0 | 0 | 112.9 | E916 R1034 | E916-E918 PolarHBondContact O-N 3.38Å; E916-E918 VanDerWaalsContact O-N 3.09Å; E918-R1034 IonicContact OE1-CZ 2.86Å; E918-R1034 IonicContact OE1-NH2 2.78Å; E918-R1034 PolarHBondContact OE1-NH2 3.3Å; E918-R1034 VanDerWaalsContact OE1-NH2 3.08Å; E918-R1034 IonicContact OE2-CZ 3.9Å; E918-R1034 IonicContact OE2-NE 3.83Å; E918-R1034 IonicContact OE2-NH2 3.41Å; E918-R1034 PolarHBondContact OE2-NH2 2.98Å | ||
| 919 | Y | 71.1 | Confident | 71.1 | Confident | 33 Ų | 33 | 41.5 Ų | 41.5 | 13% | 0.129 | 23% | 0.225 | C | C | . | . | trans | -76.2 | 131.2 | 179.9 | 159.1 | -105.2 | 0 | 0 | 0 | 111.3 | T921 N924 V944 F956 | Y919-T921 HydrophobicContact CD1-CG2 3.89Å; Y919-T921 HydrophobicContact CE1-CG2 3.79Å; Y919-T921 PolarHBondContact O-N 2.86Å; Y919-N924 WeakPolarHBondContact CE2-OD1 3.38Å; Y919-N924 PolarHBondContact OH-ND2 2.79Å; Y919-N924 PolarHBondContact OH-OD1 2.92Å; Y919-V944 HydrophobicContact CD1-CB 4.44Å; Y919-V944 HydrophobicContact CD1-CG1 3.81Å; Y919-V944 HydrophobicContact CE1-CB 4.42Å; Y919-V944 HydrophobicContact CE1-CG1 4.21Å; Y919-V944 HydrophobicContact CG-CG1 3.95Å; Y919-F956 WeakPolarHBondContact OH-CE1 3.47Å | ||
| 920 | V | 75.3 | Confident | 72.1 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | trans | -83.2 | 108.6 | 174 | 177 | 0 | 0 | 0 | 0 | 108.8 | F903 F906 A922 D923 | F903-V920 PolarHBondContact O-N 2.59Å; F906-V920 HydrophobicContact CD2-CG2 4.21Å; F906-V920 HydrophobicContact CE2-CB 4.08Å; F906-V920 HydrophobicContact CE2-CG2 3.37Å; F906-V920 HydrophobicContact CZ-CB 4.03Å; F906-V920 HydrophobicContact CZ-CG2 3.7Å; V920-A922 HydrophobicContact CG1-CB 4.36Å; V920-A922 PolarHBondContact O-N 3.42Å; V920-A922 VanDerWaalsContact O-N 3.16Å; V920-D923 HydrophobicContact CB-CB 4.36Å; V920-D923 HydrophobicContact CG1-CB 4.19Å; V920-D923 WeakPolarHBondContact CG1-OD2 3.27Å; V920-D923 PolarHBondContact O-N 3.34Å; V920-D923 VanDerWaalsContact O-N 3.16Å | ||
| 921 | T | 75.9 | Confident | 73.4 | Confident | 29 Ų | 29 | 39.7 Ų | 39.7 | 18% | 0.178 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -22.6 | -173.4 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | Y919 N924 P946 | Y919-T921 HydrophobicContact CD1-CG2 3.89Å; Y919-T921 HydrophobicContact CE1-CG2 3.79Å; Y919-T921 PolarHBondContact O-N 2.86Å; T921-N924 PolarHBondContact O-ND2 3.17Å; T921-P946 HydrophobicContact CG2-CB 3.58Å |
| 922 | A | 77 | Confident | 74.9 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 19% | 0.19 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -20.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V920 N924 L951 T1028 R1030 | V920-A922 HydrophobicContact CG1-CB 4.36Å; V920-A922 PolarHBondContact O-N 3.42Å; V920-A922 VanDerWaalsContact O-N 3.16Å; A922-N924 PolarHBondContact O-N 3.25Å; A922-L951 HydrophobicContact CB-CD1 4.44Å; A922-T1028 VanDerWaalsContact O-CB 3.3Å; A922-T1028 WeakPolarHBondContact O-CB 3.4Å; A922-T1028 PolarHBondContact O-OG1 3.27Å; A922-R1030 HydrophobicContact CB-CB 3.86Å |
| 923 | D | 82.3 | Confident | 76 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -99.5 | 93.1 | -171.5 | -65.7 | -8.6 | 0 | 0 | 0 | 110.7 | F903 F906 V920 T1028 F1029 R1030 | F903-D923 HydrophobicContact CB-CB 4.1Å; F903-D923 HydrophobicContact CD2-CB 4.38Å; F903-D923 WeakPolarHBondContact CD2-O 3.36Å; F903-D923 HydrophobicContact CG-CB 4.36Å; F906-D923 WeakPolarHBondContact CZ-OD2 3.5Å; V920-D923 HydrophobicContact CB-CB 4.36Å; V920-D923 HydrophobicContact CG1-CB 4.19Å; V920-D923 WeakPolarHBondContact CG1-OD2 3.27Å; V920-D923 PolarHBondContact O-N 3.34Å; V920-D923 VanDerWaalsContact O-N 3.16Å; D923-T1028 VanDerWaalsContact CA-O 3.31Å; D923-T1028 WeakPolarHBondContact CA-O 2.95Å; D923-F1029 WeakPolarHBondContact OD1-CA 3.21Å; D923-R1030 PolarHBondContact OD1-N 3.44Å |
| 924 | N | 85.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 166.5 | -172.4 | -73.6 | -84.2 | 0 | 0 | 0 | 113.8 | Y919 T921 A922 V940 F1027 T1028 | Y919-N924 WeakPolarHBondContact CE2-OD1 3.38Å; Y919-N924 PolarHBondContact OH-ND2 2.79Å; Y919-N924 PolarHBondContact OH-OD1 2.92Å; T921-N924 PolarHBondContact O-ND2 3.17Å; A922-N924 PolarHBondContact O-N 3.25Å; N924-V940 HydrophobicContact CB-CG1 3.62Å; N924-F1027 WeakPolarHBondContact O-CD2 3.33Å; N924-T1028 PolarHBondContact N-O 3.06Å; N924-T1028 VanDerWaalsContact N-O 3.16Å; N924-T1028 PolarHBondContact N-OG1 3.39Å; N924-T1028 PolarHBondContact O-N 3.22Å; N924-T1028 PolarHBondContact O-OG1 3.15Å |
| 925 | F | 88.5 | Confident | 78.3 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135.4 | 164.6 | -64.8 | -80.2 | 0 | 0 | 0 | 110.4 | F903 L941 F1008 W1010 V1025 T1026 F1027 | F903-F925 HydrophobicContact CE2-CD2 4.19Å; F903-F925 AromaticContact CE2-CE2 3.9Å; F903-F925 HydrophobicContact CE2-CE2 3.9Å; F903-F925 AromaticContact CZ-CE2 3.77Å; F903-F925 HydrophobicContact CZ-CE2 3.77Å; F903-F925 HydrophobicContact CZ-CZ 4.39Å; F925-L941 HydrophobicContact CB-CB 4.28Å; F925-L941 HydrophobicContact CB-CD1 4.1Å; F925-L941 PolarHBondContact O-N 2.91Å; F925-F1008 HydrophobicContact CE2-CD1 4.29Å; F925-F1008 HydrophobicContact CE2-CE1 4.33Å; F925-F1008 HydrophobicContact CZ-CB 4.28Å; F925-F1008 HydrophobicContact CZ-CD1 4.02Å; F925-F1008 AromaticContact CZ-CD2 3.91Å; F925-F1008 HydrophobicContact CZ-CD2 3.91Å; F925-F1008 HydrophobicContact CZ-CE1 4.33Å; F925-F1008 HydrophobicContact CZ-CE2 4.22Å; F925-F1008 AromaticContact CZ-CG 3.8Å; F925-F1008 HydrophobicContact CZ-CG 3.8Å; F925-F1008 HydrophobicContact CZ-CZ 4.42Å; F925-W1010 HydrophobicContact CB-CH2 4.33Å; F925-W1010 HydrophobicContact CB-CZ2 4.01Å; F925-W1010 AromaticContact CD1-CZ2 3.67Å; F925-W1010 HydrophobicContact CD1-CZ2 3.67Å; F925-W1010 AromaticContact CD2-CZ2 3.92Å; F925-W1010 HydrophobicContact CD2-CZ2 3.92Å; F925-W1010 HydrophobicContact CE1-CZ2 4.06Å; F925-W1010 AromaticContact CE1-NE1 3.79Å; F925-W1010 HydrophobicContact CE2-CZ2 4.28Å; F925-W1010 HydrophobicContact CG-CH2 4.34Å; F925-W1010 AromaticContact CG-CZ2 3.59Å; F925-W1010 HydrophobicContact CG-CZ2 3.59Å; F925-W1010 HydrophobicContact CZ-CZ2 4.35Å; F925-V1025 HydrophobicContact CB-CG1 4.39Å; F925-V1025 HydrophobicContact CD1-CG1 3.98Å; F925-T1026 CarbonylContact C-O 3.59Å; F925-T1026 WeakPolarHBondContact CA-O 3.37Å; F925-F1027 HydrophobicContact CD1-CB 3.96Å; F925-F1027 AromaticContact CD1-CD2 3.7Å; F925-F1027 HydrophobicContact CD1-CD2 3.7Å; F925-F1027 HydrophobicContact CD1-CG 4.23Å; F925-F1027 HydrophobicContact CD2-CD2 4.33Å; F925-F1027 HydrophobicContact CE1-CB 3.84Å; F925-F1027 AromaticContact CE1-CD2 3.43Å; F925-F1027 HydrophobicContact CE1-CD2 3.43Å; F925-F1027 VanDerWaalsContact CE1-CD2 3.43Å; F925-F1027 HydrophobicContact CE1-CE2 4.24Å; F925-F1027 AromaticContact CE1-CG 3.83Å; F925-F1027 HydrophobicContact CE1-CG 3.83Å; F925-F1027 HydrophobicContact CE2-CD2 4.11Å; F925-F1027 HydrophobicContact CE2-CE2 4.22Å; F925-F1027 HydrophobicContact CG-CD2 4.15Å; F925-F1027 AromaticContact CZ-CD2 3.65Å; F925-F1027 HydrophobicContact CZ-CD2 3.65Å; F925-F1027 AromaticContact CZ-CE2 4Å; F925-F1027 HydrophobicContact CZ-CE2 4Å; F925-F1027 HydrophobicContact CZ-CG 4.34Å |
| 926 | I | 88.5 | Confident | 79.8 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.097 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.7 | 177.2 | -53.8 | 174.9 | 0 | 0 | 0 | 107.6 | Q938 V940 W954 V1025 T1026 T1028 | I926-Q938 HydrophobicContact CG2-CG 4.27Å; I926-V940 HydrophobicContact CG1-CG2 4.41Å; I926-W954 HydrophobicContact CD1-CD2 4.3Å; I926-W954 HydrophobicContact CD1-CE3 4.19Å; I926-W954 HydrophobicContact CD1-CH2 4.08Å; I926-W954 HydrophobicContact CD1-CZ2 4.16Å; I926-W954 HydrophobicContact CD1-CZ3 4.08Å; I926-V1025 CarbonylContact O-C 3.57Å; I926-V1025 WeakPolarHBondContact O-CA 3.45Å; I926-T1026 PolarHBondContact N-O 3.09Å; I926-T1026 PolarHBondContact O-N 2.8Å; I926-T1028 HydrophobicContact CD1-CG2 3.92Å |
| 927 | V | 89.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 137.4 | 171.2 | 63.5 | 0 | 0 | 0 | 0 | 109.8 | V929 Y937 Q938 Q939 L941 L978 L985 V1023 S1024 | V927-V929 HydrophobicContact CG2-CG2 4.07Å; V927-Y937 HydrophobicContact CG1-CD1 4.11Å; V927-Y937 HydrophobicContact CG1-CE1 3.87Å; V927-Q938 VanDerWaalsContact O-CA 3.29Å; V927-Q938 WeakPolarHBondContact O-CA 3.32Å; V927-Q939 HydrophobicContact CG1-CB 4.31Å; V927-Q939 PolarHBondContact N-O 3.5Å; V927-Q939 PolarHBondContact O-N 3.07Å; V927-Q939 VanDerWaalsContact O-N 3.08Å; V927-L941 HydrophobicContact CB-CD1 4.26Å; V927-L941 HydrophobicContact CB-CD2 4.17Å; V927-L941 HydrophobicContact CB-CG 4.27Å; V927-L941 HydrophobicContact CG1-CD2 3.69Å; V927-L941 HydrophobicContact CG1-CG 4.17Å; V927-L978 HydrophobicContact CG1-CD2 4.33Å; V927-L985 HydrophobicContact CB-CD1 4.05Å; V927-L985 HydrophobicContact CG1-CD1 4.37Å; V927-L985 HydrophobicContact CG2-CD1 3.78Å; V927-V1023 HydrophobicContact CG2-CG1 4.05Å; V927-S1024 WeakPolarHBondContact CA-O 3.44Å |
| 928 | T | 88.2 | Confident | 82.8 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 122.3 | 167.7 | -52.2 | 0 | 0 | 0 | 0 | 108.4 | I930 V935 Y937 S1024 | T928-I930 HydrophobicContact CG2-CD1 4.42Å; T928-I930 HydrophobicContact CG2-CG1 4.08Å; T928-V935 HydrophobicContact CG2-CG1 3.78Å; T928-V935 HydrophobicContact CG2-CG2 4.1Å; T928-Y937 CarbonylContact C-O 3.43Å; T928-Y937 WeakPolarHBondContact CA-O 3.26Å; T928-S1024 PolarHBondContact N-O 3.35Å; T928-S1024 PolarHBondContact O-N 3.4Å |
| 929 | V | 88.3 | Confident | 84 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124 | 175.8 | -171.9 | 0 | 0 | 0 | 0 | 107.9 | V927 I936 Y937 L978 C981 I983 F1021 V1023 | V927-V929 HydrophobicContact CG2-CG2 4.07Å; V929-I936 HydrophobicContact CB-CD1 4.46Å; V929-I936 HydrophobicContact CB-CG1 4.02Å; V929-I936 HydrophobicContact CG1-CD1 3.78Å; V929-I936 HydrophobicContact CG1-CG1 3.84Å; V929-I936 VanDerWaalsContact O-CG1 3.31Å; V929-I936 WeakPolarHBondContact O-CG1 3.49Å; V929-I936 PolarHBondContact O-N 3.26Å; V929-Y937 HydrophobicContact CG2-CD1 4.24Å; V929-Y937 PolarHBondContact N-O 2.99Å; V929-Y937 PolarHBondContact O-N 3.31Å; V929-L978 HydrophobicContact CG2-CD2 4.08Å; V929-C981 HydrophobicContact CG1-CB 4.45Å; V929-I983 HydrophobicContact CB-CD1 4.49Å; V929-I983 HydrophobicContact CG1-CD1 3.59Å; V929-I983 HydrophobicContact CG2-CD1 4.01Å; V929-F1021 HydrophobicContact CG1-CB 4.08Å; V929-F1021 HydrophobicContact CG1-CD1 3.89Å; V929-F1021 HydrophobicContact CG1-CG 4.2Å; V929-V1023 HydrophobicContact CG1-CG2 4.47Å |
| 930 | I | 85.8 | Confident | 84.9 | Confident | 45 Ų | 45 | 39.1 Ų | 39.1 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.4 | -177.9 | -57.5 | 168.8 | 0 | 0 | 0 | 108.3 | T928 V934 V935 T1022 | T928-I930 HydrophobicContact CG2-CD1 4.42Å; T928-I930 HydrophobicContact CG2-CG1 4.08Å; I930-V934 CarbonylContact C-O 3.6Å; I930-V934 VanDerWaalsContact CA-O 3.3Å; I930-V934 WeakPolarHBondContact CA-O 3.36Å; I930-V935 HydrophobicContact CG1-CG2 4.09Å; I930-T1022 PolarHBondContact N-O 2.85Å; I930-T1022 PolarHBondContact O-N 3.4Å |
| 931 | E | 84.4 | Confident | 85.6 | Confident | 35 Ų | 35 | 38.8 Ų | 38.8 | 16% | 0.164 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.5 | 173.5 | -178 | 174.8 | -143 | 0 | 0 | 107.9 | G933 V934 I936 R1019 F1021 | E931-G933 PolarHBondContact O-N 2.92Å; E931-G933 VanDerWaalsContact O-N 3.13Å; E931-V934 PolarHBondContact N-O 3.21Å; E931-V934 PolarHBondContact O-N 3.15Å; E931-I936 HydrophobicContact CB-CD1 3.92Å; E931-I936 HydrophobicContact CB-CG1 4.33Å; E931-I936 HydrophobicContact CB-CG2 3.9Å; E931-R1019 IonicContact OE1-CZ 3.23Å; E931-R1019 IonicContact OE1-NE 2.9Å; E931-R1019 PolarHBondContact OE1-NE 3.17Å; E931-R1019 IonicContact OE1-NH2 2.62Å; E931-R1019 PolarHBondContact OE1-NH2 3.47Å; E931-R1019 IonicContact OE2-CZ 3.82Å; E931-R1019 IonicContact OE2-NE 3.32Å; E931-R1019 IonicContact OE2-NH2 3.71Å; E931-R1019 PolarHBondContact OE2-NH2 2.89Å; E931-F1021 HydrophobicContact CB-CD1 4.19Å; E931-F1021 HydrophobicContact CB-CE1 4.39Å; E931-F1021 HydrophobicContact CG-CE1 4.44Å |
| 932 | N | 83.8 | Confident | 86.1 | Confident | 151 Ų | 151 | 37.4 Ų | 37.4 | 81% | 0.807 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 36.6 | -179.5 | -58.9 | -33.7 | 0 | 0 | 0 | 114.8 | V934 | N932-V934 VanDerWaalsContact C-N 3.26Å; N932-V934 PolarHBondContact O-N 3.07Å |
| 933 | G | 80 | Confident | 86.4 | Confident | 73 Ų | 73 | 37.3 Ų | 37.3 | 75% | 0.753 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -0.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E931 | E931-G933 PolarHBondContact O-N 2.92Å; E931-G933 VanDerWaalsContact O-N 3.13Å |
| 934 | V | 83 | Confident | 86.2 | Confident | 95 Ų | 95 | 37.9 Ų | 37.9 | 58% | 0.576 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134 | 178.1 | -176.8 | 0 | 0 | 0 | 0 | 110 | I930 E931 N932 I936 | I930-V934 CarbonylContact C-O 3.6Å; I930-V934 VanDerWaalsContact CA-O 3.3Å; I930-V934 WeakPolarHBondContact CA-O 3.36Å; E931-V934 PolarHBondContact N-O 3.21Å; E931-V934 PolarHBondContact O-N 3.15Å; N932-V934 VanDerWaalsContact C-N 3.26Å; N932-V934 PolarHBondContact O-N 3.07Å; V934-I936 PolarHBondContact O-N 3.28Å |
| 935 | V | 85.4 | Confident | 85.8 | Confident | 79 Ų | 79 | 46.8 Ų | 46.8 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 112.9 | 174.1 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | T928 I930 Q938 | T928-V935 HydrophobicContact CG2-CG1 3.78Å; T928-V935 HydrophobicContact CG2-CG2 4.1Å; I930-V935 HydrophobicContact CG1-CG2 4.09Å; V935-Q938 HydrophobicContact CG1-CB 4.12Å |
| 936 | I | 87 | Confident | 84.9 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 33% | 0.333 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -23.1 | -179.3 | 58.4 | 165.5 | 0 | 0 | 0 | 112.9 | V929 E931 V934 C981 F1021 | V929-I936 HydrophobicContact CB-CD1 4.46Å; V929-I936 HydrophobicContact CB-CG1 4.02Å; V929-I936 HydrophobicContact CG1-CD1 3.78Å; V929-I936 HydrophobicContact CG1-CG1 3.84Å; V929-I936 VanDerWaalsContact O-CG1 3.31Å; V929-I936 WeakPolarHBondContact O-CG1 3.49Å; V929-I936 PolarHBondContact O-N 3.26Å; E931-I936 HydrophobicContact CB-CD1 3.92Å; E931-I936 HydrophobicContact CB-CG1 4.33Å; E931-I936 HydrophobicContact CB-CG2 3.9Å; V934-I936 PolarHBondContact O-N 3.28Å; I936-C981 HydrophobicContact CD1-CB 4.44Å; I936-F1021 HydrophobicContact CD1-CD1 3.86Å; I936-F1021 HydrophobicContact CD1-CE1 3.67Å |
| 937 | Y | 87.7 | Confident | 83.7 | Confident | 42 Ų | 42 | 53.6 Ų | 53.6 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 129 | -179.2 | -172.6 | -95.3 | 0 | 0 | 0 | 110.2 | V927 T928 V929 Q939 L978 C980 | V927-Y937 HydrophobicContact CG1-CD1 4.11Å; V927-Y937 HydrophobicContact CG1-CE1 3.87Å; T928-Y937 CarbonylContact C-O 3.43Å; T928-Y937 WeakPolarHBondContact CA-O 3.26Å; V929-Y937 HydrophobicContact CG2-CD1 4.24Å; V929-Y937 PolarHBondContact N-O 2.99Å; V929-Y937 PolarHBondContact O-N 3.31Å; Y937-Q939 HydrophobicContact CD1-CB 4.33Å; Y937-Q939 HydrophobicContact CE1-CB 3.53Å; Y937-Q939 HydrophobicContact CE1-CG 4.42Å; Y937-L978 HydrophobicContact CD1-CD2 3.55Å; Y937-L978 HydrophobicContact CD1-CG 4.43Å; Y937-L978 HydrophobicContact CE1-CD2 3.44Å; Y937-L978 VanDerWaalsContact CE1-CD2 3.44Å; Y937-L978 HydrophobicContact CE1-CG 3.9Å; Y937-L978 HydrophobicContact CG-CD2 4.44Å; Y937-C980 WeakPolarHBondContact CD2-SG 3.17Å; Y937-C980 VanDerWaalsContact CE2-SG 3.52Å |
| 938 | Q | 88.5 | Confident | 82.4 | Confident | 120 Ų | 120 | 56.1 Ų | 56.1 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 123.8 | 174.8 | -172.6 | 177.7 | 37.3 | 0 | 0 | 109.3 | I926 V927 V935 | I926-Q938 HydrophobicContact CG2-CG 4.27Å; V927-Q938 VanDerWaalsContact O-CA 3.29Å; V927-Q938 WeakPolarHBondContact O-CA 3.32Å; V935-Q938 HydrophobicContact CG1-CB 4.12Å |
| 939 | Q | 88.6 | Confident | 81 | Confident | 18 Ų | 18 | 65 Ų | 65 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 145.1 | -172 | -164.1 | 71.1 | 26.4 | 0 | 0 | 111.7 | V927 Y937 A955 N957 F958 | V927-Q939 HydrophobicContact CG1-CB 4.31Å; V927-Q939 PolarHBondContact N-O 3.5Å; V927-Q939 PolarHBondContact O-N 3.07Å; V927-Q939 VanDerWaalsContact O-N 3.08Å; Y937-Q939 HydrophobicContact CD1-CB 4.33Å; Y937-Q939 HydrophobicContact CE1-CB 3.53Å; Y937-Q939 HydrophobicContact CE1-CG 4.42Å; Q939-A955 PolarHBondContact NE2-O 2.96Å; Q939-A955 VanDerWaalsContact OE1-CB 3.28Å; Q939-N957 VanDerWaalsContact NE2-C 3.34Å; Q939-N957 PolarHBondContact NE2-OD1 2.78Å; Q939-F958 HydrophobicContact CG-CB 4.43Å; Q939-F958 HydrophobicContact CG-CD2 3.89Å |
| 940 | V | 89.5 | Confident | 80 | Confident | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 129.3 | 168.3 | -170 | 0 | 0 | 0 | 0 | 108.9 | N924 I926 T942 W954 A955 F956 | N924-V940 HydrophobicContact CB-CG1 3.62Å; I926-V940 HydrophobicContact CG1-CG2 4.41Å; V940-T942 HydrophobicContact CB-CG2 4.16Å; V940-T942 HydrophobicContact CG1-CG2 3.6Å; V940-T942 PolarHBondContact O-N 3.11Å; V940-W954 HydrophobicContact CG2-CB 4.07Å; V940-W954 HydrophobicContact CG2-CE3 4.1Å; V940-A955 WeakPolarHBondContact CB-O 3.4Å; V940-A955 WeakPolarHBondContact CG2-O 3.33Å; V940-A955 PolarHBondContact N-O 3.48Å; V940-F956 HydrophobicContact CB-CD1 4.15Å; V940-F956 HydrophobicContact CB-CE1 4.36Å; V940-F956 HydrophobicContact CG1-CD1 4.09Å; V940-F956 HydrophobicContact CG1-CE1 4Å; V940-F956 HydrophobicContact CG2-CD1 4.17Å; V940-F956 HydrophobicContact CG2-CE1 4.12Å; V940-F956 HydrophobicContact CG2-CG 4.49Å; V940-F956 HydrophobicContact CG2-CZ 4.43Å |
| 941 | L | 89.5 | Confident | 79.4 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.005 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -81.1 | 62.9 | -178.1 | -64.9 | 179.1 | 0 | 0 | 0 | 111.3 | F925 V927 F958 Y976 L985 W1010 | F925-L941 HydrophobicContact CB-CB 4.28Å; F925-L941 HydrophobicContact CB-CD1 4.1Å; F925-L941 PolarHBondContact O-N 2.91Å; V927-L941 HydrophobicContact CB-CD1 4.26Å; V927-L941 HydrophobicContact CB-CD2 4.17Å; V927-L941 HydrophobicContact CB-CG 4.27Å; V927-L941 HydrophobicContact CG1-CD2 3.69Å; V927-L941 HydrophobicContact CG1-CG 4.17Å; L941-F958 HydrophobicContact CD2-CD2 4.16Å; L941-F958 HydrophobicContact CD2-CE2 3.87Å; L941-Y976 HydrophobicContact CB-CD1 4.24Å; L941-Y976 HydrophobicContact CB-CE1 3.84Å; L941-Y976 HydrophobicContact CB-CE2 4.24Å; L941-Y976 HydrophobicContact CD1-CD2 4.34Å; L941-Y976 HydrophobicContact CD1-CE2 4.38Å; L941-Y976 HydrophobicContact CD2-CD1 3.97Å; L941-Y976 HydrophobicContact CD2-CD2 4.39Å; L941-Y976 HydrophobicContact CD2-CE1 4.44Å; L941-Y976 HydrophobicContact CD2-CG 3.96Å; L941-Y976 PolarHBondContact O-OH 3.43Å; L941-Y976 VanDerWaalsContact O-OH 3.11Å; L941-L985 HydrophobicContact CD1-CD1 4.18Å; L941-L985 HydrophobicContact CD2-CD1 4.1Å; L941-W1010 HydrophobicContact CD1-CH2 3.37Å; L941-W1010 HydrophobicContact CD1-CZ2 4.35Å; L941-W1010 HydrophobicContact CD1-CZ3 3.73Å |
| 942 | T | 87 | Confident | 78.8 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 42% | 0.424 | C | S | . | . | trans | -146.8 | 138.1 | 178.8 | -174.6 | 0 | 0 | 0 | 0 | 111 | R900 V940 V944 F956 F958 | R900-T942 WeakPolarHBondContact O-CA 3.21Å; V940-T942 HydrophobicContact CB-CG2 4.16Å; V940-T942 HydrophobicContact CG1-CG2 3.6Å; V940-T942 PolarHBondContact O-N 3.11Å; T942-V944 VanDerWaalsContact C-N 3.31Å; T942-V944 WeakPolarHBondContact OG1-CB 3.45Å; T942-V944 WeakPolarHBondContact OG1-CG2 3.41Å; T942-V944 PolarHBondContact OG1-N 3.16Å; T942-V944 VanDerWaalsContact OG1-N 3.14Å; T942-F956 HydrophobicContact CG2-CD1 3.82Å; T942-F956 HydrophobicContact CG2-CE1 4.48Å; T942-F958 VanDerWaalsContact O-CB 3.23Å; T942-F958 WeakPolarHBondContact O-CB 3.38Å | ||
| 943 | A | 84 | Confident | 78.5 | Confident | 20 Ų | 20 | 72.9 Ų | 72.9 | 17% | 0.165 | 43% | 0.425 | C | S | . | . | trans | -90.5 | 3.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R900 P960 | R900-A943 HydrophobicContact CB-CB 4.08Å; R900-A943 HydrophobicContact CG-CB 4.46Å; R900-A943 PolarHBondContact O-N 2.96Å; A943-P960 HydrophobicContact CB-CB 4.45Å; A943-P960 HydrophobicContact CB-CG 4.28Å | ||
| 944 | V | 77.5 | Confident | 78.6 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 7% | 0.073 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 128.4 | 177 | -174 | 0 | 0 | 0 | 0 | 110 | R900 Y919 T942 | R900-V944 HydrophobicContact CB-CG2 3.54Å; R900-V944 HydrophobicContact CG-CG2 4.4Å; Y919-V944 HydrophobicContact CD1-CB 4.44Å; Y919-V944 HydrophobicContact CD1-CG1 3.81Å; Y919-V944 HydrophobicContact CE1-CB 4.42Å; Y919-V944 HydrophobicContact CE1-CG1 4.21Å; Y919-V944 HydrophobicContact CG-CG1 3.95Å; T942-V944 VanDerWaalsContact C-N 3.31Å; T942-V944 WeakPolarHBondContact OG1-CB 3.45Å; T942-V944 WeakPolarHBondContact OG1-CG2 3.41Å; T942-V944 PolarHBondContact OG1-N 3.16Å; T942-V944 VanDerWaalsContact OG1-N 3.14Å |
| 945 | K | 76.5 | Confident | 78.7 | Confident | 188 Ų | 188 | 70.2 Ų | 70.2 | 82% | 0.817 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -85 | 122.9 | 170.7 | -66.8 | -176.6 | -179.9 | 179.4 | 0 | 109.5 | ||
| 946 | P | 70.6 | Confident | 78.6 | Confident | 41 Ų | 41 | 67.6 Ų | 67.6 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 139.8 | 179.6 | 26.8 | -34.4 | 0 | 0 | 0 | 111.5 | T921 F956 | T921-P946 HydrophobicContact CG2-CB 3.58Å; P946-F956 HydrophobicContact CG-CB 4.09Å; P946-F956 HydrophobicContact CG-CD1 4.3Å; P946-F956 HydrophobicContact CG-CD2 3.81Å; P946-F956 HydrophobicContact CG-CE2 4.24Å; P946-F956 HydrophobicContact CG-CG 3.83Å |
| 947 | S | 63.9 | Low | 78.3 | Confident | 124 Ų | 124 | 70.1 Ų | 70.1 | 87% | 0.867 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -82.3 | -18.3 | 178.2 | -170.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 948 | A | 60.5 | Low | 78.3 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -108.9 | 148.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N950 | A948-N950 PolarHBondContact O-N 2.99Å; A948-N950 VanDerWaalsContact O-N 3.1Å |
| 949 | K | 60.2 | Low | 78.1 | Confident | 201 Ų | 201 | 65 Ų | 65 | 87% | 0.874 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -73.7 | 11.8 | 179.2 | -73.9 | -174.9 | 177.4 | 179.4 | 0 | 114.8 | ||
| 950 | N | 66.1 | Low | 77.9 | Confident | 101 Ų | 101 | 68.8 Ų | 68.8 | 54% | 0.54 | 39% | 0.394 | S | S | . | . | trans | -86.9 | 150 | -176.9 | -63.9 | -15.9 | 0 | 0 | 0 | 110.2 | A948 | A948-N950 PolarHBondContact O-N 2.99Å; A948-N950 VanDerWaalsContact O-N 3.1Å | ||
| 951 | L | 74.4 | Confident | 77.7 | Confident | 61 Ų | 61 | 73.4 Ų | 73.4 | 32% | 0.319 | 43% | 0.426 | S | S | . | . | trans | 63.9 | 42.3 | -174.4 | -52.8 | 168.2 | 0 | 0 | 0 | 113.8 | A922 C953 W954 F956 | A922-L951 HydrophobicContact CB-CD1 4.44Å; L951-C953 PolarHBondContact O-N 3.18Å; L951-W954 HydrophobicContact CB-CB 4.38Å; L951-W954 HydrophobicContact CB-CD2 4.14Å; L951-W954 HydrophobicContact CB-CE3 4.49Å; L951-W954 HydrophobicContact CB-CG 4.1Å; L951-W954 HydrophobicContact CD1-CD2 4.2Å; L951-W954 HydrophobicContact CD1-CE3 3.88Å; L951-W954 HydrophobicContact CD1-CH2 4.15Å; L951-W954 HydrophobicContact CD1-CZ2 4.47Å; L951-W954 HydrophobicContact CD1-CZ3 3.86Å; L951-W954 HydrophobicContact CD2-CD2 4.39Å; L951-W954 HydrophobicContact CD2-CZ2 4.11Å; L951-W954 HydrophobicContact CG-CD2 4.48Å; L951-W954 WeakPolarHBondContact O-CB 3.4Å; L951-W954 PolarHBondContact O-N 3.25Å; L951-F956 HydrophobicContact CB-CE2 4.25Å; L951-F956 HydrophobicContact CB-CZ 4.5Å; L951-F956 HydrophobicContact CD1-CZ 4.4Å | ||
| 952 | S | 71.2 | Confident | 77.7 | Confident | 111 Ų | 111 | 74.9 Ų | 74.9 | 78% | 0.776 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22 | -178.9 | 55.6 | 0 | 0 | 0 | 0 | 115 | W954 | S952-W954 VanDerWaalsContact C-N 3.31Š|
| 953 | C | 78.5 | Confident | 77.7 | Confident | 124 Ų | 124 | 76.2 Ų | 76.2 | 84% | 0.838 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9.1 | 176 | -58.6 | 0 | 0 | 0 | 0 | 113.8 | L951 | L951-C953 PolarHBondContact O-N 3.18Š|
| 954 | W | 82 | Confident | 77.9 | Confident | 78 Ų | 78 | 78.1 Ų | 78.1 | 30% | 0.295 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -94.8 | 137.6 | -177.7 | -68.5 | 17.9 | 0 | 0 | 0 | 111.1 | I926 V940 L951 S952 F956 T1028 | I926-W954 HydrophobicContact CD1-CD2 4.3Å; I926-W954 HydrophobicContact CD1-CE3 4.19Å; I926-W954 HydrophobicContact CD1-CH2 4.08Å; I926-W954 HydrophobicContact CD1-CZ2 4.16Å; I926-W954 HydrophobicContact CD1-CZ3 4.08Å; V940-W954 HydrophobicContact CG2-CB 4.07Å; V940-W954 HydrophobicContact CG2-CE3 4.1Å; L951-W954 HydrophobicContact CB-CB 4.38Å; L951-W954 HydrophobicContact CB-CD2 4.14Å; L951-W954 HydrophobicContact CB-CE3 4.49Å; L951-W954 HydrophobicContact CB-CG 4.1Å; L951-W954 HydrophobicContact CD1-CD2 4.2Å; L951-W954 HydrophobicContact CD1-CE3 3.88Å; L951-W954 HydrophobicContact CD1-CH2 4.15Å; L951-W954 HydrophobicContact CD1-CZ2 4.47Å; L951-W954 HydrophobicContact CD1-CZ3 3.86Å; L951-W954 HydrophobicContact CD2-CD2 4.39Å; L951-W954 HydrophobicContact CD2-CZ2 4.11Å; L951-W954 HydrophobicContact CG-CD2 4.48Å; L951-W954 WeakPolarHBondContact O-CB 3.4Å; L951-W954 PolarHBondContact O-N 3.25Å; S952-W954 VanDerWaalsContact C-N 3.31Å; W954-F956 HydrophobicContact CB-CD2 4.1Å; W954-F956 HydrophobicContact CB-CE2 3.54Å; W954-F956 HydrophobicContact CB-CZ 4.07Å; W954-F956 HydrophobicContact CE3-CE1 4.45Å; W954-F956 HydrophobicContact CE3-CE2 4.4Å; W954-F956 AromaticContact CE3-CZ 3.77Å; W954-F956 HydrophobicContact CE3-CZ 3.77Å; W954-F956 HydrophobicContact CG-CE2 4.49Å; W954-F956 WeakPolarHBondContact O-CD2 2.94Å; W954-F956 PolarHBondContact O-N 2.66Å; W954-T1028 HydrophobicContact CH2-CG2 3.74Å; W954-T1028 HydrophobicContact CZ2-CG2 4.28Å |
| 955 | A | 84.1 | Confident | 78.3 | Confident | 35 Ų | 35 | 79.7 Ų | 79.7 | 29% | 0.289 | 46% | 0.46 | S | S | . | . | trans | -89.6 | 102.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q939 V940 | Q939-A955 PolarHBondContact NE2-O 2.96Å; Q939-A955 VanDerWaalsContact OE1-CB 3.28Å; V940-A955 WeakPolarHBondContact CB-O 3.4Å; V940-A955 WeakPolarHBondContact CG2-O 3.33Å; V940-A955 PolarHBondContact N-O 3.48Å | ||
| 956 | F | 82.8 | Confident | 78.8 | Confident | 24 Ų | 24 | 74 Ų | 74 | 11% | 0.105 | 44% | 0.441 | C | S | . | . | trans | -96.5 | 19.4 | -179.1 | -69 | -84.9 | 0 | 0 | 0 | 114.5 | Y919 V940 T942 P946 L951 W954 | Y919-F956 WeakPolarHBondContact OH-CE1 3.47Å; V940-F956 HydrophobicContact CB-CD1 4.15Å; V940-F956 HydrophobicContact CB-CE1 4.36Å; V940-F956 HydrophobicContact CG1-CD1 4.09Å; V940-F956 HydrophobicContact CG1-CE1 4Å; V940-F956 HydrophobicContact CG2-CD1 4.17Å; V940-F956 HydrophobicContact CG2-CE1 4.12Å; V940-F956 HydrophobicContact CG2-CG 4.49Å; V940-F956 HydrophobicContact CG2-CZ 4.43Å; T942-F956 HydrophobicContact CG2-CD1 3.82Å; T942-F956 HydrophobicContact CG2-CE1 4.48Å; P946-F956 HydrophobicContact CG-CB 4.09Å; P946-F956 HydrophobicContact CG-CD1 4.3Å; P946-F956 HydrophobicContact CG-CD2 3.81Å; P946-F956 HydrophobicContact CG-CE2 4.24Å; P946-F956 HydrophobicContact CG-CG 3.83Å; L951-F956 HydrophobicContact CB-CE2 4.25Å; L951-F956 HydrophobicContact CB-CZ 4.5Å; L951-F956 HydrophobicContact CD1-CZ 4.4Å; W954-F956 HydrophobicContact CB-CD2 4.1Å; W954-F956 HydrophobicContact CB-CE2 3.54Å; W954-F956 HydrophobicContact CB-CZ 4.07Å; W954-F956 HydrophobicContact CE3-CE1 4.45Å; W954-F956 HydrophobicContact CE3-CE2 4.4Å; W954-F956 AromaticContact CE3-CZ 3.77Å; W954-F956 HydrophobicContact CE3-CZ 3.77Å; W954-F956 HydrophobicContact CG-CE2 4.49Å; W954-F956 WeakPolarHBondContact O-CD2 2.94Å; W954-F956 PolarHBondContact O-N 2.66Å | ||
| 957 | N | 81.9 | Confident | 79.2 | Confident | 118 Ų | 118 | 73.7 Ų | 73.7 | 63% | 0.631 | 45% | 0.445 | S | S | * | . | trans | -101 | 40.4 | -174.8 | 59.5 | -42.9 | 0 | 0 | 0 | 114 | Q939 P959 | Q939-N957 VanDerWaalsContact NE2-C 3.34Å; Q939-N957 PolarHBondContact NE2-OD1 2.78Å; N957-P959 WeakPolarHBondContact O-CD 3.23Å | ||
| 958 | F | 86.3 | Confident | 80.1 | Confident | 5 Ų | 5 | 77 Ų | 77 | 2% | 0.022 | 44% | 0.438 | C | S | . | . | trans | -67.6 | 126.9 | 176.3 | -160.2 | -81.8 | 0 | 0 | 0 | 110.4 | Q939 L941 T942 P960 N962 V963 Y976 L978 | Q939-F958 HydrophobicContact CG-CB 4.43Å; Q939-F958 HydrophobicContact CG-CD2 3.89Å; L941-F958 HydrophobicContact CD2-CD2 4.16Å; L941-F958 HydrophobicContact CD2-CE2 3.87Å; T942-F958 VanDerWaalsContact O-CB 3.23Å; T942-F958 WeakPolarHBondContact O-CB 3.38Å; F958-P960 WeakPolarHBondContact O-CD 3.43Å; F958-N962 HydrophobicContact CE1-CB 3.77Å; F958-N962 HydrophobicContact CZ-CB 4.33Å; F958-V963 HydrophobicContact CD1-CG2 3.42Å; F958-V963 VanDerWaalsContact CD1-CG2 3.42Å; F958-V963 HydrophobicContact CE1-CG2 3.47Å; F958-V963 VanDerWaalsContact CE1-CG2 3.47Å; F958-Y976 HydrophobicContact CD1-CD1 4.24Å; F958-Y976 AromaticContact CE1-CD1 3.81Å; F958-Y976 HydrophobicContact CE1-CD1 3.81Å; F958-Y976 HydrophobicContact CE2-CD1 4.3Å; F958-Y976 AromaticContact CZ-CD1 3.86Å; F958-Y976 HydrophobicContact CZ-CD1 3.86Å; F958-Y976 HydrophobicContact CZ-CG 4.29Å; F958-L978 HydrophobicContact CE2-CD1 4.33Å; F958-L978 HydrophobicContact CZ-CD1 4.37Å | ||
| 959 | P | 86 | Confident | 81 | Confident | 50 Ų | 50 | 79 Ų | 79 | 33% | 0.325 | 44% | 0.435 | S | S | . | . | trans | -64.4 | 125.9 | -176 | -22.4 | 32.9 | 0 | 0 | 0 | 112.5 | N957 S961 N962 | N957-P959 WeakPolarHBondContact O-CD 3.23Å; P959-S961 PolarHBondContact O-N 3.18Å; P959-N962 HydrophobicContact CB-CB 4.3Å; P959-N962 WeakPolarHBondContact O-CB 3.26Å; P959-N962 PolarHBondContact O-N 3.33Å | ||
| 960 | P | 83.9 | Confident | 82 | Confident | 96 Ų | 96 | 71.5 Ų | 71.5 | 62% | 0.623 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -59 | -32.8 | 178.5 | -25 | 33.3 | 0 | 0 | 0 | 113.8 | A943 F958 N962 V963 | A943-P960 HydrophobicContact CB-CB 4.45Å; A943-P960 HydrophobicContact CB-CG 4.28Å; F958-P960 WeakPolarHBondContact O-CD 3.43Å; P960-N962 PolarHBondContact O-N 2.94Å; P960-N962 VanDerWaalsContact O-N 3.16Å; P960-V963 PolarHBondContact O-N 3.26Å; P960-V963 VanDerWaalsContact O-N 3.17Å |
| 961 | S | 85.8 | Confident | 83.1 | Confident | 99 Ų | 99 | 69 Ų | 69 | 69% | 0.692 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -62.2 | -19 | 176.2 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | P959 | P959-S961 PolarHBondContact O-N 3.18Š|
| 962 | N | 88.6 | Confident | 83.7 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 18% | 0.176 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -100.2 | 5 | -177.7 | -67.9 | -2.4 | 0 | 0 | 0 | 112.6 | F958 P959 P960 R977 P979 | F958-N962 HydrophobicContact CE1-CB 3.77Å; F958-N962 HydrophobicContact CZ-CB 4.33Å; P959-N962 HydrophobicContact CB-CB 4.3Å; P959-N962 WeakPolarHBondContact O-CB 3.26Å; P959-N962 PolarHBondContact O-N 3.33Å; P960-N962 PolarHBondContact O-N 2.94Å; P960-N962 VanDerWaalsContact O-N 3.16Å; N962-R977 HydrophobicContact CB-CB 4.17Å; N962-R977 WeakPolarHBondContact CB-O 3.46Å; N962-R977 PolarHBondContact O-N 3.18Å; N962-P979 WeakPolarHBondContact ND2-CD 3.33Å; N962-P979 WeakPolarHBondContact ND2-CG 3.39Å |
| 963 | V | 87.2 | Confident | 84.6 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 16% | 0.164 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.7 | 177.7 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | F958 P960 T974 T975 Y976 | F958-V963 HydrophobicContact CD1-CG2 3.42Å; F958-V963 VanDerWaalsContact CD1-CG2 3.42Å; F958-V963 HydrophobicContact CE1-CG2 3.47Å; F958-V963 VanDerWaalsContact CE1-CG2 3.47Å; P960-V963 PolarHBondContact O-N 3.26Å; P960-V963 VanDerWaalsContact O-N 3.17Å; V963-T974 HydrophobicContact CG1-CG2 3.89Å; V963-T975 WeakPolarHBondContact CA-O 3.39Å; V963-Y976 HydrophobicContact CG1-CD1 4.48Å; V963-Y976 HydrophobicContact CG1-CE1 4.21Å; V963-Y976 HydrophobicContact CG2-CD1 3.91Å; V963-Y976 HydrophobicContact CG2-CE1 4.08Å |
| 964 | S | 87.9 | Confident | 85.1 | Confident | 61 Ų | 61 | 59.4 Ų | 59.4 | 43% | 0.427 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.3 | 170.1 | -179.8 | 0 | 0 | 0 | 0 | 109 | T974 T975 | S964-T974 CarbonylContact O-C 3.58Å; S964-T974 WeakPolarHBondContact O-CA 3.41Å; S964-T975 PolarHBondContact N-O 3.43Å; S964-T975 PolarHBondContact O-N 3.3Å |
| 965 | Y | 86.9 | Confident | 85.6 | Confident | 44 Ų | 44 | 57 Ų | 57 | 17% | 0.173 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.7 | -178.5 | 176.4 | -99.6 | 0 | 0 | 0 | 111.4 | V885 F899 A972 W973 | V885-Y965 WeakPolarHBondContact CB-OH 3.2Å; V885-Y965 WeakPolarHBondContact CG2-OH 3.41Å; V885-Y965 PolarHBondContact N-OH 3.22Å; F899-Y965 HydrophobicContact CB-CD1 3.45Å; F899-Y965 VanDerWaalsContact CB-CD1 3.45Å; F899-Y965 HydrophobicContact CB-CE1 3.96Å; F899-Y965 HydrophobicContact CB-CG 3.77Å; Y965-A972 HydrophobicContact CE2-CB 4.01Å; Y965-W973 CarbonylContact C-O 3.48Å; Y965-W973 WeakPolarHBondContact CA-O 3.32Å |
| 966 | V | 86.4 | Confident | 86 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 42% | 0.418 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 115.8 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | A972 W973 | V966-A972 CarbonylContact O-C 3.59Å; V966-A972 VanDerWaalsContact O-CA 3.3Å; V966-A972 WeakPolarHBondContact O-CA 3.49Å; V966-W973 HydrophobicContact CB-CE3 4.27Å; V966-W973 HydrophobicContact CG1-CE3 4.12Å; V966-W973 PolarHBondContact N-O 3.07Å; V966-W973 PolarHBondContact O-N 3.12Å |
| 967 | G | 79.6 | Confident | 86.3 | Confident | 35 Ų | 35 | 61 Ų | 61 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 968 | R | 81.2 | Confident | 86.7 | Confident | 192 Ų | 192 | 55.5 Ų | 55.5 | 73% | 0.725 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 86.9 | 173.8 | -72 | -172.3 | 177 | -171.6 | -1.3 | 109.5 | L971 | R968-L971 CarbonylContact C-O 3.57Å; R968-L971 WeakPolarHBondContact CA-O 3.35Å; R968-L971 PolarHBondContact N-O 3.1Å; R968-L971 CarbonylContact O-C 3.5Å; R968-L971 WeakPolarHBondContact O-CA 3.34Å; R968-L971 PolarHBondContact O-N 3.36Å |
| 969 | Y | 79.2 | Confident | 86.4 | Confident | 94 Ų | 94 | 59.8 Ų | 59.8 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 129.7 | -179.6 | -176.8 | -94.6 | 0 | 0 | 0 | 110.9 | V885 P886 V993 | V885-Y969 HydrophobicContact CG1-CD2 4.28Å; P886-Y969 HydrophobicContact CG-CD2 3.68Å; P886-Y969 HydrophobicContact CG-CE2 3.81Å; Y969-V993 HydrophobicContact CE1-CG2 4.03Å |
| 970 | P | 82.8 | Confident | 86.1 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 29% | 0.292 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -82.9 | 6.3 | 12.3 | 29.8 | -34.1 | 0 | 0 | 0 | 117.6 | S991 V993 | P970-S991 WeakPolarHBondContact CB-O 3.37Å; P970-S991 PolarHBondContact O-N 3.05Å; P970-V993 HydrophobicContact CB-CG2 4.21Å |
| 971 | L | 87.5 | Confident | 85.8 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 151.1 | -173.9 | -69.7 | 166.6 | 0 | 0 | 0 | 113.4 | R968 W973 M988 Q989 L990 | R968-L971 CarbonylContact C-O 3.57Å; R968-L971 WeakPolarHBondContact CA-O 3.35Å; R968-L971 PolarHBondContact N-O 3.1Å; R968-L971 CarbonylContact O-C 3.5Å; R968-L971 WeakPolarHBondContact O-CA 3.34Å; R968-L971 PolarHBondContact O-N 3.36Å; L971-W973 HydrophobicContact CB-CH2 3.69Å; L971-W973 HydrophobicContact CB-CZ2 4.19Å; L971-W973 HydrophobicContact CB-CZ3 3.97Å; L971-W973 HydrophobicContact CD1-CH2 3.76Å; L971-W973 HydrophobicContact CD1-CZ2 3.99Å; L971-W973 HydrophobicContact CG-CH2 4.3Å; L971-M988 HydrophobicContact CD2-CG 4.33Å; L971-M988 HydrophobicContact CD2-SD 4.34Å; L971-Q989 CarbonylContact C-O 3.58Å; L971-Q989 VanDerWaalsContact CA-O 3.31Å; L971-Q989 WeakPolarHBondContact CA-O 3.29Å; L971-L990 HydrophobicContact CD2-CB 3.88Å; L971-L990 HydrophobicContact CD2-CD1 3.52Å; L971-L990 HydrophobicContact CD2-CG 4.26Å; L971-L990 HydrophobicContact CG-CD1 4.22Å |
| 972 | A | 87.7 | Confident | 85.7 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 147.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V885 Y965 V966 M988 Q989 | V885-A972 HydrophobicContact CB-CB 4.01Å; V885-A972 HydrophobicContact CG1-CB 4.16Å; V885-A972 HydrophobicContact CG2-CB 4.1Å; Y965-A972 HydrophobicContact CE2-CB 4.01Å; V966-A972 CarbonylContact O-C 3.59Å; V966-A972 VanDerWaalsContact O-CA 3.3Å; V966-A972 WeakPolarHBondContact O-CA 3.49Å; A972-M988 CarbonylContact O-C 3.59Å; A972-M988 WeakPolarHBondContact O-CA 3.45Å; A972-Q989 HydrophobicContact CB-CB 4.2Å; A972-Q989 PolarHBondContact N-O 3.11Å; A972-Q989 PolarHBondContact O-N 3.34Å |
| 973 | W | 89.8 | Confident | 85.6 | Confident | 95 Ų | 95 | 51.6 Ų | 51.6 | 36% | 0.36 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.1 | 176.4 | -62.6 | -92.1 | 0 | 0 | 0 | 110.2 | Y965 V966 L971 C987 M988 | Y965-W973 CarbonylContact C-O 3.48Å; Y965-W973 WeakPolarHBondContact CA-O 3.32Å; V966-W973 HydrophobicContact CB-CE3 4.27Å; V966-W973 HydrophobicContact CG1-CE3 4.12Å; V966-W973 PolarHBondContact N-O 3.07Å; V966-W973 PolarHBondContact O-N 3.12Å; L971-W973 HydrophobicContact CB-CH2 3.69Å; L971-W973 HydrophobicContact CB-CZ2 4.19Å; L971-W973 HydrophobicContact CB-CZ3 3.97Å; L971-W973 HydrophobicContact CD1-CH2 3.76Å; L971-W973 HydrophobicContact CD1-CZ2 3.99Å; L971-W973 HydrophobicContact CG-CH2 4.3Å; W973-C987 CarbonylContact C-O 3.59Å; W973-C987 WeakPolarHBondContact CA-O 3.34Å; W973-M988 HydrophobicContact CZ2-SD 4.35Å; W973-M988 PolarHBondContact NE1-SD 3.43Å; W973-M988 VanDerWaalsContact NE1-SD 3.41Å |
| 974 | T | 90.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 122.9 | 169.6 | -43.1 | 0 | 0 | 0 | 0 | 109.4 | V963 S964 Y976 C987 | V963-T974 HydrophobicContact CG1-CG2 3.89Å; S964-T974 CarbonylContact O-C 3.58Å; S964-T974 WeakPolarHBondContact O-CA 3.41Å; T974-Y976 HydrophobicContact CG2-CD2 4.33Å; T974-Y976 HydrophobicContact CG2-CE1 4.08Å; T974-Y976 HydrophobicContact CG2-CE2 3.57Å; T974-Y976 VanDerWaalsContact CG2-CZ 3.41Å; T974-Y976 WeakPolarHBondContact CG2-OH 3.29Å; T974-C987 PolarHBondContact N-O 2.9Å; T974-C987 PolarHBondContact O-N 3.15Å |
| 975 | T | 91.6 | Very high | 85.7 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 17% | 0.172 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.3 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 109.6 | V963 S964 L984 L985 K986 | V963-T975 WeakPolarHBondContact CA-O 3.39Å; S964-T975 PolarHBondContact N-O 3.43Å; S964-T975 PolarHBondContact O-N 3.3Å; T975-L984 HydrophobicContact CG2-CD1 3.55Å; T975-L984 HydrophobicContact CG2-CG 4.08Å; T975-L985 CarbonylContact C-O 3.54Å; T975-L985 WeakPolarHBondContact CA-O 3.5Å; T975-K986 HydrophobicContact CG2-CG 4.16Å |
| 976 | Y | 91.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.9 | 175.5 | -56.6 | -89.1 | 0 | 0 | 0 | 109.4 | L941 F958 V963 T974 L985 W1010 | L941-Y976 HydrophobicContact CB-CD1 4.24Å; L941-Y976 HydrophobicContact CB-CE1 3.84Å; L941-Y976 HydrophobicContact CB-CE2 4.24Å; L941-Y976 HydrophobicContact CD1-CD2 4.34Å; L941-Y976 HydrophobicContact CD1-CE2 4.38Å; L941-Y976 HydrophobicContact CD2-CD1 3.97Å; L941-Y976 HydrophobicContact CD2-CD2 4.39Å; L941-Y976 HydrophobicContact CD2-CE1 4.44Å; L941-Y976 HydrophobicContact CD2-CG 3.96Å; L941-Y976 PolarHBondContact O-OH 3.43Å; L941-Y976 VanDerWaalsContact O-OH 3.11Å; F958-Y976 HydrophobicContact CD1-CD1 4.24Å; F958-Y976 AromaticContact CE1-CD1 3.81Å; F958-Y976 HydrophobicContact CE1-CD1 3.81Å; F958-Y976 HydrophobicContact CE2-CD1 4.3Å; F958-Y976 AromaticContact CZ-CD1 3.86Å; F958-Y976 HydrophobicContact CZ-CD1 3.86Å; F958-Y976 HydrophobicContact CZ-CG 4.29Å; V963-Y976 HydrophobicContact CG1-CD1 4.48Å; V963-Y976 HydrophobicContact CG1-CE1 4.21Å; V963-Y976 HydrophobicContact CG2-CD1 3.91Å; V963-Y976 HydrophobicContact CG2-CE1 4.08Å; T974-Y976 HydrophobicContact CG2-CD2 4.33Å; T974-Y976 HydrophobicContact CG2-CE1 4.08Å; T974-Y976 HydrophobicContact CG2-CE2 3.57Å; T974-Y976 VanDerWaalsContact CG2-CZ 3.41Å; T974-Y976 WeakPolarHBondContact CG2-OH 3.29Å; Y976-L985 PolarHBondContact N-O 2.62Å; Y976-L985 PolarHBondContact O-N 2.96Å; Y976-W1010 HydrophobicContact CD2-CH2 4.4Å; Y976-W1010 HydrophobicContact CD2-CZ3 4.24Å; Y976-W1010 HydrophobicContact CE2-CH2 4.05Å; Y976-W1010 HydrophobicContact CE2-CZ3 4.32Å |
| 977 | R | 90.6 | Very high | 86 | Confident | 143 Ų | 143 | 47.4 Ų | 47.4 | 54% | 0.54 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.7 | 173.9 | -64.1 | 176.9 | -176.3 | -177.6 | 2.6 | 108.9 | N962 P979 L984 | N962-R977 HydrophobicContact CB-CB 4.17Å; N962-R977 WeakPolarHBondContact CB-O 3.46Å; N962-R977 PolarHBondContact O-N 3.18Å; R977-P979 WeakPolarHBondContact O-CD 3.5Å; R977-L984 HydrophobicContact CB-CD1 4.48Å; R977-L984 HydrophobicContact CG-CD1 3.59Å |
| 978 | L | 89.3 | Confident | 86.4 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 90.6 | 173.7 | -73.8 | 70.9 | 0 | 0 | 0 | 108.3 | V927 V929 Y937 F958 C980 A982 I983 L985 | V927-L978 HydrophobicContact CG1-CD2 4.33Å; V929-L978 HydrophobicContact CG2-CD2 4.08Å; Y937-L978 HydrophobicContact CD1-CD2 3.55Å; Y937-L978 HydrophobicContact CD1-CG 4.43Å; Y937-L978 HydrophobicContact CE1-CD2 3.44Å; Y937-L978 VanDerWaalsContact CE1-CD2 3.44Å; Y937-L978 HydrophobicContact CE1-CG 3.9Å; Y937-L978 HydrophobicContact CG-CD2 4.44Å; F958-L978 HydrophobicContact CE2-CD1 4.33Å; F958-L978 HydrophobicContact CZ-CD1 4.37Å; L978-C980 VanDerWaalsContact C-N 3.31Å; L978-C980 PolarHBondContact O-N 3.37Å; L978-A982 WeakPolarHBondContact O-CA 3.32Å; L978-A982 PolarHBondContact O-N 3.41Å; L978-A982 VanDerWaalsContact O-N 3.13Å; L978-I983 HydrophobicContact CB-CB 4.26Å; L978-I983 WeakPolarHBondContact CB-O 3.35Å; L978-I983 PolarHBondContact N-O 2.95Å; L978-I983 PolarHBondContact O-N 2.88Å; L978-L985 HydrophobicContact CD1-CD1 3.62Å; L978-L985 HydrophobicContact CD1-CG 3.98Å; L978-L985 HydrophobicContact CD2-CD1 4.39Å |
| 979 | P | 80.1 | Confident | 86.7 | Confident | 94 Ų | 94 | 39.3 Ų | 39.3 | 61% | 0.61 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -62.8 | -35 | -176.1 | -22.7 | 34 | 0 | 0 | 0 | 113.4 | N962 R977 C981 A982 | N962-P979 WeakPolarHBondContact ND2-CD 3.33Å; N962-P979 WeakPolarHBondContact ND2-CG 3.39Å; R977-P979 WeakPolarHBondContact O-CD 3.5Å; P979-C981 VanDerWaalsContact C-N 3.33Å; P979-C981 PolarHBondContact O-N 3.38Å; P979-A982 PolarHBondContact O-N 3.21Å |
| 980 | C | 79 | Confident | 87.1 | Confident | 81 Ų | 81 | 37.2 Ų | 37.2 | 55% | 0.547 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -64.5 | -31.1 | -176.7 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | Y937 L978 | Y937-C980 WeakPolarHBondContact CD2-SG 3.17Å; Y937-C980 VanDerWaalsContact CE2-SG 3.52Å; L978-C980 VanDerWaalsContact C-N 3.31Å; L978-C980 PolarHBondContact O-N 3.37Å |
| 981 | C | 79.2 | Confident | 87.2 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -110.1 | 1.7 | 179.4 | -51.2 | 0 | 0 | 0 | 0 | 112.1 | V929 I936 P979 I983 | V929-C981 HydrophobicContact CG1-CB 4.45Å; I936-C981 HydrophobicContact CD1-CB 4.44Å; P979-C981 VanDerWaalsContact C-N 3.33Å; P979-C981 PolarHBondContact O-N 3.38Å; C981-I983 HydrophobicContact CB-CD1 3.74Å; C981-I983 HydrophobicContact CB-CG1 3.95Å; C981-I983 PolarHBondContact O-N 3.47Å |
| 982 | A | 83.6 | Confident | 86.7 | Confident | 18 Ų | 18 | 34.7 Ų | 34.7 | 15% | 0.149 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45 | 59.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L978 P979 K1015 E1016 | L978-A982 WeakPolarHBondContact O-CA 3.32Å; L978-A982 PolarHBondContact O-N 3.41Å; L978-A982 VanDerWaalsContact O-N 3.13Å; P979-A982 PolarHBondContact O-N 3.21Å; A982-K1015 HydrophobicContact CB-CB 3.91Å; A982-K1015 WeakPolarHBondContact CB-O 2.91Å; A982-K1015 CarbonylContact O-C 3.59Å; A982-K1015 WeakPolarHBondContact O-CA 3.46Å; A982-K1015 WeakPolarHBondContact O-CB 3.32Å; A982-E1016 HydrophobicContact CB-CG 4.23Å |
| 983 | I | 85.3 | Confident | 86.4 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138.1 | 176.9 | -67.4 | 170.2 | 0 | 0 | 0 | 109 | V929 L978 C981 L985 V1012 F1021 V1023 | V929-I983 HydrophobicContact CB-CD1 4.49Å; V929-I983 HydrophobicContact CG1-CD1 3.59Å; V929-I983 HydrophobicContact CG2-CD1 4.01Å; L978-I983 HydrophobicContact CB-CB 4.26Å; L978-I983 WeakPolarHBondContact CB-O 3.35Å; L978-I983 PolarHBondContact N-O 2.95Å; L978-I983 PolarHBondContact O-N 2.88Å; C981-I983 HydrophobicContact CB-CD1 3.74Å; C981-I983 HydrophobicContact CB-CG1 3.95Å; C981-I983 PolarHBondContact O-N 3.47Å; I983-L985 HydrophobicContact CG2-CD2 3.93Å; I983-L985 HydrophobicContact CG2-CG 4.18Å; I983-V1012 HydrophobicContact CG2-CG1 3.94Å; I983-F1021 HydrophobicContact CD1-CB 4.16Å; I983-F1021 HydrophobicContact CD1-CD2 4Å; I983-F1021 HydrophobicContact CD1-CG 4Å; I983-F1021 HydrophobicContact CG1-CD2 4.3Å; I983-V1023 HydrophobicContact CD1-CG2 3.93Å |
| 984 | L | 89.3 | Confident | 85.8 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 11% | 0.105 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120.2 | 170.7 | -169.2 | 75 | 0 | 0 | 0 | 109.4 | T975 R977 K986 V1013 K1015 | T975-L984 HydrophobicContact CG2-CD1 3.55Å; T975-L984 HydrophobicContact CG2-CG 4.08Å; R977-L984 HydrophobicContact CB-CD1 4.48Å; R977-L984 HydrophobicContact CG-CD1 3.59Å; L984-K986 HydrophobicContact CD2-CG 4.5Å; L984-V1013 HydrophobicContact CB-CB 3.96Å; L984-V1013 HydrophobicContact CB-CG2 4.26Å; L984-V1013 HydrophobicContact CD2-CG2 4.27Å; L984-V1013 PolarHBondContact N-O 3.01Å; L984-V1013 PolarHBondContact O-N 3.08Å; L984-K1015 HydrophobicContact CB-CG 4.46Å |
| 985 | L | 89.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.2 | 173.7 | -53.6 | 167.1 | 0 | 0 | 0 | 108.8 | V927 L941 T975 Y976 L978 I983 W1010 V1012 V1023 | V927-L985 HydrophobicContact CB-CD1 4.05Å; V927-L985 HydrophobicContact CG1-CD1 4.37Å; V927-L985 HydrophobicContact CG2-CD1 3.78Å; L941-L985 HydrophobicContact CD1-CD1 4.18Å; L941-L985 HydrophobicContact CD2-CD1 4.1Å; T975-L985 CarbonylContact C-O 3.54Å; T975-L985 WeakPolarHBondContact CA-O 3.5Å; Y976-L985 PolarHBondContact N-O 2.62Å; Y976-L985 PolarHBondContact O-N 2.96Å; L978-L985 HydrophobicContact CD1-CD1 3.62Å; L978-L985 HydrophobicContact CD1-CG 3.98Å; L978-L985 HydrophobicContact CD2-CD1 4.39Å; I983-L985 HydrophobicContact CG2-CD2 3.93Å; I983-L985 HydrophobicContact CG2-CG 4.18Å; L985-W1010 HydrophobicContact CB-CE3 4.35Å; L985-W1010 HydrophobicContact CB-CZ3 4.07Å; L985-V1012 HydrophobicContact CD2-CB 4.27Å; L985-V1012 HydrophobicContact CD2-CG1 3.93Å; L985-V1012 HydrophobicContact CD2-CG2 3.73Å; L985-V1023 HydrophobicContact CD2-CG1 4.16Å |
| 986 | K | 89.5 | Confident | 84.6 | Confident | 92 Ų | 92 | 48.9 Ų | 48.9 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.6 | 172.9 | -62.6 | 178.2 | 179.6 | 177.4 | 0 | 109.1 | T975 L984 W1010 S1011 | T975-K986 HydrophobicContact CG2-CG 4.16Å; L984-K986 HydrophobicContact CD2-CG 4.5Å; K986-W1010 CarbonylContact O-C 3.52Å; K986-W1010 WeakPolarHBondContact O-CA 3.47Å; K986-S1011 PolarHBondContact N-O 3.48Å; K986-S1011 PolarHBondContact O-N 3.03Å |
| 987 | C | 88.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.4 | 173.6 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | R897 W973 T974 L1009 W1010 | R897-C987 PolarHBondContact NH1-SG 3.28Å; W973-C987 CarbonylContact C-O 3.59Å; W973-C987 WeakPolarHBondContact CA-O 3.34Å; T974-C987 PolarHBondContact N-O 2.9Å; T974-C987 PolarHBondContact O-N 3.15Å; C987-L1009 CarbonylContact C-O 3.57Å; C987-L1009 WeakPolarHBondContact CA-O 3.41Å; C987-W1010 HydrophobicContact CB-CD2 4.11Å; C987-W1010 HydrophobicContact CB-CE3 3.97Å; C987-W1010 HydrophobicContact CB-CH2 3.66Å; C987-W1010 HydrophobicContact CB-CZ2 3.79Å; C987-W1010 HydrophobicContact CB-CZ3 3.76Å |
| 988 | M | 89.4 | Confident | 82.9 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 28% | 0.276 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 116.8 | 169.9 | -177.9 | 176.3 | 77 | 0 | 0 | 109.2 | L971 A972 W973 F1008 L1009 | L971-M988 HydrophobicContact CD2-CG 4.33Å; L971-M988 HydrophobicContact CD2-SD 4.34Å; A972-M988 CarbonylContact O-C 3.59Å; A972-M988 WeakPolarHBondContact O-CA 3.45Å; W973-M988 HydrophobicContact CZ2-SD 4.35Å; W973-M988 PolarHBondContact NE1-SD 3.43Å; W973-M988 VanDerWaalsContact NE1-SD 3.41Å; M988-F1008 CarbonylContact O-C 3.36Å; M988-F1008 WeakPolarHBondContact O-CA 3.28Å; M988-L1009 HydrophobicContact CB-CB 4.13Å; M988-L1009 HydrophobicContact CE-CB 4.08Å; M988-L1009 HydrophobicContact CE-CD1 3.21Å; M988-L1009 HydrophobicContact CE-CG 4.24Å; M988-L1009 PolarHBondContact N-O 3.26Å; M988-L1009 PolarHBondContact O-N 3Å |
| 989 | Q | 87.6 | Confident | 82.1 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.5 | 171.7 | 171.6 | -177.6 | -38.4 | 0 | 0 | 108.9 | V885 P886 C887 L971 A972 T1006 L1007 F1008 | V885-Q989 PolarHBondContact O-NE2 3Å; P886-Q989 PolarHBondContact O-NE2 2.79Å; C887-Q989 PolarHBondContact SG-NE2 2.89Å; C887-Q989 PolarHBondContact SG-OE1 2.8Å; L971-Q989 CarbonylContact C-O 3.58Å; L971-Q989 VanDerWaalsContact CA-O 3.31Å; L971-Q989 WeakPolarHBondContact CA-O 3.29Å; A972-Q989 HydrophobicContact CB-CB 4.2Å; A972-Q989 PolarHBondContact N-O 3.11Å; A972-Q989 PolarHBondContact O-N 3.34Å; Q989-T1006 HydrophobicContact CG-CG2 3.92Å; Q989-L1007 WeakPolarHBondContact CA-O 3.41Å; Q989-F1008 HydrophobicContact CB-CD1 4.16Å; Q989-F1008 HydrophobicContact CB-CE1 4.06Å; Q989-F1008 HydrophobicContact CG-CD1 4.5Å; Q989-F1008 HydrophobicContact CG-CE1 4.01Å |
| 990 | L | 87.1 | Confident | 81.6 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.3 | 175.4 | 168.8 | 67.5 | 0 | 0 | 0 | 109.7 | L971 T1006 L1007 | L971-L990 HydrophobicContact CD2-CB 3.88Å; L971-L990 HydrophobicContact CD2-CD1 3.52Å; L971-L990 HydrophobicContact CD2-CG 4.26Å; L971-L990 HydrophobicContact CG-CD1 4.22Å; L990-T1006 WeakPolarHBondContact O-CA 3.38Å; L990-L1007 HydrophobicContact CB-CB 4.3Å; L990-L1007 HydrophobicContact CD2-CD2 4.12Å; L990-L1007 PolarHBondContact N-O 2.98Å; L990-L1007 PolarHBondContact O-N 3.14Å |
| 991 | S | 84.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -110.7 | 99.4 | 170.7 | -66.2 | 0 | 0 | 0 | 0 | 109.2 | P886 G888 P970 V993 T1006 | P886-S991 PolarHBondContact O-OG 3.44Å; G888-S991 PolarHBondContact N-OG 2.87Å; G888-S991 WeakPolarHBondContact O-CB 3.47Å; P970-S991 WeakPolarHBondContact CB-O 3.37Å; P970-S991 PolarHBondContact O-N 3.05Å; S991-V993 PolarHBondContact O-N 3.22Å; S991-T1006 PolarHBondContact OG-OG1 3.26Å | ||
| 992 | P | 77.8 | Confident | 80.9 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 25% | 0.247 | 29% | 0.289 | C | S | . | . | trans | -61.4 | 127.6 | -166.6 | 24.5 | -33.2 | 0 | 0 | 0 | 112.7 | T889 I1005 | T889-P992 HydrophobicContact CG2-CG 4.13Å; T889-P992 VanDerWaalsContact CG2-O 3.25Å; T889-P992 WeakPolarHBondContact CG2-O 3.5Å; P992-I1005 WeakPolarHBondContact CD-O 3.45Å; P992-I1005 HydrophobicContact CG-CB 4.29Å; P992-I1005 HydrophobicContact CG-CG2 4.42Å | ||
| 993 | V | 80.3 | Confident | 80.2 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 35% | 0.352 | 30% | 0.302 | S | S | . | . | trans | -122.2 | 112.3 | 168.6 | 180 | 0 | 0 | 0 | 0 | 106.5 | I890 Y969 P970 S991 P995 | I890-V993 HydrophobicContact CD1-CG1 3.96Å; I890-V993 HydrophobicContact CD1-CG2 4.31Å; I890-V993 HydrophobicContact CG1-CG2 4.45Å; Y969-V993 HydrophobicContact CE1-CG2 4.03Å; P970-V993 HydrophobicContact CB-CG2 4.21Å; S991-V993 PolarHBondContact O-N 3.22Å; V993-P995 WeakPolarHBondContact O-CD 3.41Å | ||
| 994 | I | 78.4 | Confident | 79.5 | Confident | 74 Ų | 74 | 61 Ų | 61 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | trans | -103.8 | 108.7 | -174 | -52.6 | 171.9 | 0 | 0 | 0 | 108 | H996 N997 D1000 S1001 | I994-H996 PolarHBondContact O-N 3.42Å; I994-N997 HydrophobicContact CB-CB 4.09Å; I994-N997 HydrophobicContact CG2-CB 3.73Å; I994-N997 PolarHBondContact O-N 3.09Å; I994-N997 VanDerWaalsContact O-N 3.11Å; I994-D1000 HydrophobicContact CD1-CB 3.95Å; I994-S1001 WeakPolarHBondContact CA-OG 3.49Å; I994-S1001 WeakPolarHBondContact CB-OG 3.36Å; I994-S1001 PolarHBondContact N-OG 3.5Å; I994-S1001 PolarHBondContact O-OG 3.34Å | ||
| 995 | P | 79 | Confident | 78.8 | Confident | 105 Ų | 105 | 62.3 Ų | 62.3 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 138.2 | 176.3 | -26 | 34.6 | 0 | 0 | 0 | 111.6 | V993 N997 | V993-P995 WeakPolarHBondContact O-CD 3.41Å; P995-N997 PolarHBondContact O-N 3.37Å |
| 996 | H | 77.3 | Confident | 78.4 | Confident | 185 Ų | 185 | 62.3 Ų | 62.3 | 86% | 0.856 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 4.1 | -179 | -51.3 | -76 | 0 | 0 | 0 | 116.5 | I994 | I994-H996 PolarHBondContact O-N 3.42Š|
| 997 | N | 76.3 | Confident | 78.1 | Confident | 51 Ų | 51 | 60.2 Ų | 60.2 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | trans | -123.8 | 71.9 | 174.2 | -171.4 | -11.8 | 0 | 0 | 0 | 110 | I994 P995 K999 D1000 S1001 | I994-N997 HydrophobicContact CB-CB 4.09Å; I994-N997 HydrophobicContact CG2-CB 3.73Å; I994-N997 PolarHBondContact O-N 3.09Å; I994-N997 VanDerWaalsContact O-N 3.11Å; P995-N997 PolarHBondContact O-N 3.37Å; N997-K999 PolarHBondContact O-N 3.2Å; N997-D1000 PolarHBondContact ND2-OD2 2.74Å; N997-D1000 PolarHBondContact O-N 3.42Å; N997-D1000 WeakPolarHBondContact OD1-CB 3.47Å; N997-D1000 PolarHBondContact OD1-N 3.43Å; N997-S1001 WeakPolarHBondContact O-CB 3.18Å; N997-S1001 PolarHBondContact O-N 3.34Å; N997-S1001 PolarHBondContact O-OG 3.41Å | ||
| 998 | Y | 71.4 | Confident | 78 | Confident | 190 Ų | 190 | 60.3 Ų | 60.3 | 75% | 0.745 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -31 | 178.4 | -73.7 | -81.3 | 0 | 0 | 0 | 112.7 | S1001 S1002 | Y998-S1001 CarbonylContact O-C 3.51Å; Y998-S1002 VanDerWaalsContact O-CB 3.3Å; Y998-S1002 WeakPolarHBondContact O-CB 3.5Å; Y998-S1002 PolarHBondContact O-N 3.01Å; Y998-S1002 PolarHBondContact O-OG 3.14Å |
| 999 | K | 71.2 | Confident | 77.7 | Confident | 161 Ų | 161 | 59.6 Ų | 59.6 | 70% | 0.7 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -56 | 178.5 | -175.8 | 179.9 | 178.2 | -178.3 | 0 | 110.5 | N997 S1002 | N997-K999 PolarHBondContact O-N 3.2Å; K999-S1002 PolarHBondContact O-N 3.13Å; K999-S1002 PolarHBondContact O-OG 3.11Å |
| 1000 | D | 70.6 | Confident | 77.6 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -75.3 | -30.1 | -179 | -62.9 | -17.4 | 0 | 0 | 0 | 111.7 | I994 N997 S1002 L1003 | I994-D1000 HydrophobicContact CD1-CB 3.95Å; N997-D1000 PolarHBondContact ND2-OD2 2.74Å; N997-D1000 PolarHBondContact O-N 3.42Å; N997-D1000 WeakPolarHBondContact OD1-CB 3.47Å; N997-D1000 PolarHBondContact OD1-N 3.43Å; D1000-S1002 PolarHBondContact O-N 3.2Å; D1000-L1003 HydrophobicContact CB-CD1 4.41Å; D1000-L1003 WeakPolarHBondContact O-CB 3.37Å; D1000-L1003 PolarHBondContact O-N 2.73Å; D1000-L1003 VanDerWaalsContact O-N 3.16Å |
| 1001 | S | 73.1 | Confident | 77.5 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -70 | -3.9 | 171.4 | -55.6 | 0 | 0 | 0 | 0 | 114.4 | T889 I890 I994 N997 Y998 | T889-S1001 WeakPolarHBondContact CB-O 3.31Å; T889-S1001 PolarHBondContact OG1-O 3.35Å; T889-S1001 VanDerWaalsContact OG1-O 3.13Å; I890-S1001 PolarHBondContact N-O 3.33Å; I890-S1001 VanDerWaalsContact N-O 3.14Å; I994-S1001 WeakPolarHBondContact CA-OG 3.49Å; I994-S1001 WeakPolarHBondContact CB-OG 3.36Å; I994-S1001 PolarHBondContact N-OG 3.5Å; I994-S1001 PolarHBondContact O-OG 3.34Å; N997-S1001 WeakPolarHBondContact O-CB 3.18Å; N997-S1001 PolarHBondContact O-N 3.34Å; N997-S1001 PolarHBondContact O-OG 3.41Å; Y998-S1001 CarbonylContact O-C 3.51Å |
| 1002 | S | 69.8 | Low | 77.5 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -102.2 | -3.2 | 173.1 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | T889 I890 S892 Y998 K999 D1000 | T889-S1002 PolarHBondContact OG1-O 3.02Å; I890-S1002 WeakPolarHBondContact O-CA 3.42Å; S892-S1002 WeakPolarHBondContact CB-O 3.37Å; S892-S1002 PolarHBondContact OG-O 3.41Å; Y998-S1002 VanDerWaalsContact O-CB 3.3Å; Y998-S1002 WeakPolarHBondContact O-CB 3.5Å; Y998-S1002 PolarHBondContact O-N 3.01Å; Y998-S1002 PolarHBondContact O-OG 3.14Å; K999-S1002 PolarHBondContact O-N 3.13Å; K999-S1002 PolarHBondContact O-OG 3.11Å; D1000-S1002 PolarHBondContact O-N 3.2Å |
| 1003 | L | 68.9 | Low | 77.9 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 41% | 0.414 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -75.8 | 122.2 | 175.9 | -63.3 | 173.5 | 0 | 0 | 0 | 109.4 | T889 D1000 I1005 | T889-L1003 WeakPolarHBondContact CB-O 3.4Å; T889-L1003 WeakPolarHBondContact CG2-O 3.31Å; T889-L1003 PolarHBondContact OG1-N 2.88Å; T889-L1003 PolarHBondContact OG1-O 2.99Å; D1000-L1003 HydrophobicContact CB-CD1 4.41Å; D1000-L1003 WeakPolarHBondContact O-CB 3.37Å; D1000-L1003 PolarHBondContact O-N 2.73Å; D1000-L1003 VanDerWaalsContact O-N 3.16Å; L1003-I1005 VanDerWaalsContact C-N 3.31Å; L1003-I1005 HydrophobicContact CB-CD1 3.68Å; L1003-I1005 HydrophobicContact CB-CG1 3.98Å; L1003-I1005 HydrophobicContact CD1-CD1 4.15Å; L1003-I1005 PolarHBondContact O-N 3.26Å |
| 1004 | P | 70.5 | Confident | 78 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 10% | 0.097 | 28% | 0.284 | C | S | . | . | trans | -75.3 | 87.2 | -175.3 | 23.9 | -21.3 | 0 | 0 | 0 | 109.9 | F819 S892 | F819-P1004 WeakPolarHBondContact CA-O 3.3Å; F819-P1004 HydrophobicContact CB-CB 3.9Å; F819-P1004 HydrophobicContact CB-CG 3.93Å; F819-P1004 WeakPolarHBondContact CB-O 3.5Å; F819-P1004 HydrophobicContact CD2-CB 4.4Å; F819-P1004 WeakPolarHBondContact CD2-O 3.3Å; F819-P1004 PolarHBondContact N-O 3.17Å; F819-P1004 VanDerWaalsContact O-CG 3.31Å; F819-P1004 WeakPolarHBondContact O-CG 3.41Å; S892-P1004 WeakPolarHBondContact O-CB 3.38Å; S892-P1004 WeakPolarHBondContact OG-CB 3.39Å; S892-P1004 WeakPolarHBondContact OG-CD 3.49Å | ||
| 1005 | I | 74.3 | Confident | 78.1 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 25% | 0.251 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.4 | -175.6 | -61.2 | 172.1 | 0 | 0 | 0 | 108.7 | L816 P992 L1003 | L816-I1005 HydrophobicContact CD2-CG2 4.21Å; P992-I1005 WeakPolarHBondContact CD-O 3.45Å; P992-I1005 HydrophobicContact CG-CB 4.29Å; P992-I1005 HydrophobicContact CG-CG2 4.42Å; L1003-I1005 VanDerWaalsContact C-N 3.31Å; L1003-I1005 HydrophobicContact CB-CD1 3.68Å; L1003-I1005 HydrophobicContact CB-CG1 3.98Å; L1003-I1005 HydrophobicContact CD1-CD1 4.15Å; L1003-I1005 PolarHBondContact O-N 3.26Å |
| 1006 | T | 80.9 | Confident | 78 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 131.2 | 169.2 | -62.8 | 0 | 0 | 0 | 0 | 110.5 | V817 C887 G888 Q989 L990 S991 F1008 | V817-T1006 PolarHBondContact N-O 3.04Å; V817-T1006 PolarHBondContact O-N 3.06Å; V817-T1006 VanDerWaalsContact O-O 3.13Å; C887-T1006 VanDerWaalsContact C-OG1 3.24Å; C887-T1006 VanDerWaalsContact CA-OG1 3.3Å; C887-T1006 WeakPolarHBondContact CA-OG1 3.45Å; C887-T1006 HydrophobicContact CB-CG2 3.92Å; C887-T1006 WeakPolarHBondContact CB-OG1 3.07Å; G888-T1006 PolarHBondContact N-OG1 3.08Å; Q989-T1006 HydrophobicContact CG-CG2 3.92Å; L990-T1006 WeakPolarHBondContact O-CA 3.38Å; S991-T1006 PolarHBondContact OG-OG1 3.26Å; T1006-F1008 HydrophobicContact CG2-CD2 4.39Å; T1006-F1008 HydrophobicContact CG2-CE1 4.09Å; T1006-F1008 HydrophobicContact CG2-CE2 3.8Å; T1006-F1008 HydrophobicContact CG2-CZ 3.64Å |
| 1007 | L | 82.7 | Confident | 77.6 | Confident | 47 Ų | 47 | 47.1 Ų | 47.1 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.7 | 176.6 | -179.4 | 69 | 0 | 0 | 0 | 109.7 | L816 Q989 L990 L1009 | L816-L1007 HydrophobicContact CD1-CD1 4.28Å; L816-L1007 HydrophobicContact CG-CD1 4.06Å; Q989-L1007 WeakPolarHBondContact CA-O 3.41Å; L990-L1007 HydrophobicContact CB-CB 4.3Å; L990-L1007 HydrophobicContact CD2-CD2 4.12Å; L990-L1007 PolarHBondContact N-O 2.98Å; L990-L1007 PolarHBondContact O-N 3.14Å; L1007-L1009 HydrophobicContact CD2-CD1 3.54Å; L1007-L1009 HydrophobicContact CD2-CG 4.03Å; L1007-L1009 HydrophobicContact CG-CD1 4.09Å; L1007-L1009 HydrophobicContact CG-CG 4.13Å |
| 1008 | F | 86.5 | Confident | 77.6 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.9 | 170.8 | -61.5 | -77.8 | 0 | 0 | 0 | 109.6 | I814 V815 V817 F903 F925 M988 Q989 T1006 | I814-F1008 CarbonylContact C-O 3.58Å; V815-F1008 HydrophobicContact CB-CB 4.46Å; V815-F1008 HydrophobicContact CG1-CD2 4.48Å; V815-F1008 PolarHBondContact O-N 2.95Å; V817-F1008 HydrophobicContact CB-CE2 4.32Å; V817-F1008 HydrophobicContact CG2-CD2 3.9Å; V817-F1008 HydrophobicContact CG2-CE2 3.71Å; F903-F1008 HydrophobicContact CE1-CZ 4.05Å; F903-F1008 HydrophobicContact CZ-CZ 4.01Å; F925-F1008 HydrophobicContact CE2-CD1 4.29Å; F925-F1008 HydrophobicContact CE2-CE1 4.33Å; F925-F1008 HydrophobicContact CZ-CB 4.28Å; F925-F1008 HydrophobicContact CZ-CD1 4.02Å; F925-F1008 AromaticContact CZ-CD2 3.91Å; F925-F1008 HydrophobicContact CZ-CD2 3.91Å; F925-F1008 HydrophobicContact CZ-CE1 4.33Å; F925-F1008 HydrophobicContact CZ-CE2 4.22Å; F925-F1008 AromaticContact CZ-CG 3.8Å; F925-F1008 HydrophobicContact CZ-CG 3.8Å; F925-F1008 HydrophobicContact CZ-CZ 4.42Å; M988-F1008 CarbonylContact O-C 3.36Å; M988-F1008 WeakPolarHBondContact O-CA 3.28Å; Q989-F1008 HydrophobicContact CB-CD1 4.16Å; Q989-F1008 HydrophobicContact CB-CE1 4.06Å; Q989-F1008 HydrophobicContact CG-CD1 4.5Å; Q989-F1008 HydrophobicContact CG-CE1 4.01Å; T1006-F1008 HydrophobicContact CG2-CD2 4.39Å; T1006-F1008 HydrophobicContact CG2-CE1 4.09Å; T1006-F1008 HydrophobicContact CG2-CE2 3.8Å; T1006-F1008 HydrophobicContact CG2-CZ 3.64Å |
| 1009 | L | 84.3 | Confident | 77.9 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 22% | 0.22 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.6 | 179.3 | -83.2 | 151 | 0 | 0 | 0 | 109.5 | R813 C987 M988 L1007 | R813-L1009 HydrophobicContact CG-CD2 4.05Å; C987-L1009 CarbonylContact C-O 3.57Å; C987-L1009 WeakPolarHBondContact CA-O 3.41Å; M988-L1009 HydrophobicContact CB-CB 4.13Å; M988-L1009 HydrophobicContact CE-CB 4.08Å; M988-L1009 HydrophobicContact CE-CD1 3.21Å; M988-L1009 HydrophobicContact CE-CG 4.24Å; M988-L1009 PolarHBondContact N-O 3.26Å; M988-L1009 PolarHBondContact O-N 3Å; L1007-L1009 HydrophobicContact CD2-CD1 3.54Å; L1007-L1009 HydrophobicContact CD2-CG 4.03Å; L1007-L1009 HydrophobicContact CG-CD1 4.09Å; L1007-L1009 HydrophobicContact CG-CG 4.13Å |
| 1010 | W | 85.9 | Confident | 78.2 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 2% | 0.019 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.7 | -179.9 | -72.6 | 91.6 | 0 | 0 | 0 | 111.8 | R812 I814 F925 L941 Y976 L985 K986 C987 V1025 | R812-W1010 VanDerWaalsContact O-O 3.08Å; I814-W1010 VanDerWaalsContact O-CD1 3.31Å; F925-W1010 HydrophobicContact CB-CH2 4.33Å; F925-W1010 HydrophobicContact CB-CZ2 4.01Å; F925-W1010 AromaticContact CD1-CZ2 3.67Å; F925-W1010 HydrophobicContact CD1-CZ2 3.67Å; F925-W1010 AromaticContact CD2-CZ2 3.92Å; F925-W1010 HydrophobicContact CD2-CZ2 3.92Å; F925-W1010 HydrophobicContact CE1-CZ2 4.06Å; F925-W1010 AromaticContact CE1-NE1 3.79Å; F925-W1010 HydrophobicContact CE2-CZ2 4.28Å; F925-W1010 HydrophobicContact CG-CH2 4.34Å; F925-W1010 AromaticContact CG-CZ2 3.59Å; F925-W1010 HydrophobicContact CG-CZ2 3.59Å; F925-W1010 HydrophobicContact CZ-CZ2 4.35Å; L941-W1010 HydrophobicContact CD1-CH2 3.37Å; L941-W1010 HydrophobicContact CD1-CZ2 4.35Å; L941-W1010 HydrophobicContact CD1-CZ3 3.73Å; Y976-W1010 HydrophobicContact CD2-CH2 4.4Å; Y976-W1010 HydrophobicContact CD2-CZ3 4.24Å; Y976-W1010 HydrophobicContact CE2-CH2 4.05Å; Y976-W1010 HydrophobicContact CE2-CZ3 4.32Å; L985-W1010 HydrophobicContact CB-CE3 4.35Å; L985-W1010 HydrophobicContact CB-CZ3 4.07Å; K986-W1010 CarbonylContact O-C 3.52Å; K986-W1010 WeakPolarHBondContact O-CA 3.47Å; C987-W1010 HydrophobicContact CB-CD2 4.11Å; C987-W1010 HydrophobicContact CB-CE3 3.97Å; C987-W1010 HydrophobicContact CB-CH2 3.66Å; C987-W1010 HydrophobicContact CB-CZ2 3.79Å; C987-W1010 HydrophobicContact CB-CZ3 3.76Å; W1010-V1025 HydrophobicContact CD2-CG1 4.25Å; W1010-V1025 HydrophobicContact CD2-CG2 4.49Å; W1010-V1025 HydrophobicContact CE3-CG2 4.47Å; W1010-V1025 HydrophobicContact CH2-CG1 4.47Å; W1010-V1025 HydrophobicContact CZ2-CG1 4Å |
| 1011 | S | 83.4 | Confident | 78.8 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 20% | 0.203 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.8 | 169.8 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | K986 | K986-S1011 PolarHBondContact N-O 3.48Å; K986-S1011 PolarHBondContact O-N 3.03Å |
| 1012 | V | 85.3 | Confident | 79.2 | Confident | 23 Ų | 23 | 46 Ų | 46 | 14% | 0.139 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.5 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | V810 I983 L985 V1023 | V810-V1012 PolarHBondContact N-O 2.56Å; V810-V1012 PolarHBondContact O-N 3.05Å; I983-V1012 HydrophobicContact CG2-CG1 3.94Å; L985-V1012 HydrophobicContact CD2-CB 4.27Å; L985-V1012 HydrophobicContact CD2-CG1 3.93Å; L985-V1012 HydrophobicContact CD2-CG2 3.73Å; V1012-V1023 HydrophobicContact CG1-CB 4.29Å; V1012-V1023 HydrophobicContact CG1-CG1 4.3Å; V1012-V1023 HydrophobicContact CG1-CG2 4.05Å; V1012-V1023 HydrophobicContact CG2-CG1 4.41Å |
| 1013 | V | 84.9 | Confident | 79.9 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117 | 177.6 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | L799 L984 K1015 | L799-V1013 HydrophobicContact CD1-CB 3.87Å; L799-V1013 HydrophobicContact CD1-CG1 3.42Å; L799-V1013 VanDerWaalsContact CD1-CG1 3.42Å; L799-V1013 HydrophobicContact CD1-CG2 3.29Å; L799-V1013 HydrophobicContact CD2-CG1 4.18Å; L799-V1013 HydrophobicContact CG-CG1 3.55Å; L799-V1013 HydrophobicContact CG-CG2 4.27Å; L984-V1013 HydrophobicContact CB-CB 3.96Å; L984-V1013 HydrophobicContact CB-CG2 4.26Å; L984-V1013 HydrophobicContact CD2-CG2 4.27Å; L984-V1013 PolarHBondContact N-O 3.01Å; L984-V1013 PolarHBondContact O-N 3.08Å; V1013-K1015 HydrophobicContact CG1-CG 4.17Å |
| 1014 | N | 84.1 | Confident | 80.6 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 10% | 0.096 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 111 | 162.3 | -171 | 16.8 | 0 | 0 | 0 | 106.8 | A807 E1016 R1019 F1021 | A807-N1014 WeakPolarHBondContact CB-O 3.38Å; N1014-E1016 PolarHBondContact ND2-O 3.29Å; N1014-E1016 PolarHBondContact OD1-N 2.99Å; N1014-E1016 PolarHBondContact OD1-O 3.35Å; N1014-R1019 PolarHBondContact ND2-O 3.49Å; N1014-F1021 WeakPolarHBondContact OD1-CE2 3.34Å |
| 1015 | K | 80.3 | Confident | 81.3 | Confident | 57 Ų | 57 | 45.5 Ų | 45.5 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | cis | 97.6 | -44 | 27.6 | 39.1 | 177.2 | 157.5 | -159.5 | 0 | 112.7 | Y797 A982 L984 V1013 | Y797-K1015 HydrophobicContact CD1-CB 3.37Å; Y797-K1015 HydrophobicContact CD1-CD 4.06Å; Y797-K1015 HydrophobicContact CD1-CG 3.42Å; Y797-K1015 VanDerWaalsContact CD1-CG 3.42Å; Y797-K1015 VanDerWaalsContact CD1-N 3.3Å; Y797-K1015 HydrophobicContact CD2-CB 3.45Å; Y797-K1015 VanDerWaalsContact CD2-CB 3.45Å; Y797-K1015 HydrophobicContact CD2-CD 3.37Å; Y797-K1015 HydrophobicContact CD2-CG 3.66Å; Y797-K1015 HydrophobicContact CE1-CB 3.34Å; Y797-K1015 HydrophobicContact CE1-CG 3.96Å; Y797-K1015 HydrophobicContact CE2-CB 3.39Å; Y797-K1015 HydrophobicContact CE2-CD 4.12Å; Y797-K1015 HydrophobicContact CE2-CG 4.15Å; Y797-K1015 WeakPolarHBondContact CE2-O 3.2Å; Y797-K1015 HydrophobicContact CG-CB 3.49Å; Y797-K1015 VanDerWaalsContact CG-CB 3.49Å; Y797-K1015 HydrophobicContact CG-CD 3.39Å; Y797-K1015 HydrophobicContact CG-CG 3.32Å; Y797-K1015 VanDerWaalsContact CZ-CA 3.46Å; Y797-K1015 PolarHBondContact OH-O 3.34Å; A982-K1015 HydrophobicContact CB-CB 3.91Å; A982-K1015 WeakPolarHBondContact CB-O 2.91Å; A982-K1015 CarbonylContact O-C 3.59Å; A982-K1015 WeakPolarHBondContact O-CA 3.46Å; A982-K1015 WeakPolarHBondContact O-CB 3.32Å; L984-K1015 HydrophobicContact CB-CG 4.46Å; V1013-K1015 HydrophobicContact CG1-CG 4.17Å | ||
| 1016 | E | 76.8 | Confident | 81.7 | Confident | 69 Ų | 69 | 46.2 Ų | 46.2 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | trans | -165 | 112.4 | 177 | -108.9 | 165.7 | -154 | 0 | 0 | 107.7 | Y797 A982 N1014 N1018 R1019 F1021 | Y797-E1016 WeakPolarHBondContact OH-CA 2.85Å; Y797-E1016 PolarHBondContact OH-N 2.99Å; A982-E1016 HydrophobicContact CB-CG 4.23Å; N1014-E1016 PolarHBondContact ND2-O 3.29Å; N1014-E1016 PolarHBondContact OD1-N 2.99Å; N1014-E1016 PolarHBondContact OD1-O 3.35Å; E1016-N1018 PolarHBondContact O-N 3.48Å; E1016-R1019 WeakPolarHBondContact OE2-CD 3.44Å; E1016-R1019 IonicContact OE2-CZ 2.84Å; E1016-R1019 IonicContact OE2-NE 2.64Å; E1016-R1019 IonicContact OE2-NH1 2.7Å; E1016-R1019 PolarHBondContact OE2-NH1 2.98Å; E1016-F1021 HydrophobicContact CB-CE2 4.5Å | ||
| 1017 | P | 67.7 | Low | 81.9 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 29% | 0.286 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -34.2 | -177.1 | -25.7 | 30.7 | 0 | 0 | 0 | 115.3 | P806 | P806-P1017 HydrophobicContact CB-CB 3.91Å; P806-P1017 HydrophobicContact CG-CB 3.68Å; P806-P1017 HydrophobicContact CG-CG 4.04Å; P806-P1017 WeakPolarHBondContact O-CA 3.38Å; P806-P1017 WeakPolarHBondContact O-CB 3.41Å; P806-P1017 WeakPolarHBondContact O-CG 3.25Å |
| 1018 | N | 76.1 | Confident | 81.8 | Confident | 161 Ų | 161 | 46.9 Ų | 46.9 | 86% | 0.861 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -0.5 | -163.6 | -64 | -21.5 | 0 | 0 | 0 | 113.2 | E1016 | E1016-N1018 PolarHBondContact O-N 3.48Š|
| 1019 | R | 78.4 | Confident | 81.4 | Confident | 83 Ų | 83 | 48.1 Ų | 48.1 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | trans | -124.5 | 127.1 | -179 | -70.2 | 172.3 | 73.6 | -165.7 | 5.1 | 110 | E931 N1014 E1016 F1021 | E931-R1019 IonicContact OE1-CZ 3.23Å; E931-R1019 IonicContact OE1-NE 2.9Å; E931-R1019 PolarHBondContact OE1-NE 3.17Å; E931-R1019 IonicContact OE1-NH2 2.62Å; E931-R1019 PolarHBondContact OE1-NH2 3.47Å; E931-R1019 IonicContact OE2-CZ 3.82Å; E931-R1019 IonicContact OE2-NE 3.32Å; E931-R1019 IonicContact OE2-NH2 3.71Å; E931-R1019 PolarHBondContact OE2-NH2 2.89Å; N1014-R1019 PolarHBondContact ND2-O 3.49Å; E1016-R1019 WeakPolarHBondContact OE2-CD 3.44Å; E1016-R1019 IonicContact OE2-CZ 2.84Å; E1016-R1019 IonicContact OE2-NE 2.64Å; E1016-R1019 IonicContact OE2-NH1 2.7Å; E1016-R1019 PolarHBondContact OE2-NH1 2.98Å; R1019-F1021 HydrophobicContact CB-CE1 4.18Å; R1019-F1021 HydrophobicContact CB-CE2 3.77Å; R1019-F1021 HydrophobicContact CB-CZ 3.55Å; R1019-F1021 HydrophobicContact CG-CZ 4.45Å | ||
| 1020 | A | 78.5 | Confident | 81 | Confident | 81 Ų | 81 | 50.1 Ų | 50.1 | 67% | 0.669 | 28% | 0.276 | S | S | * | . | trans | -92.6 | 117.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1021 | F | 81.6 | Confident | 80.3 | Confident | 32 Ų | 32 | 50 Ų | 50 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | trans | -110.7 | 134.9 | 177.4 | -56.7 | -68.6 | 0 | 0 | 0 | 110.5 | V929 E931 I936 I983 N1014 E1016 R1019 V1023 | V929-F1021 HydrophobicContact CG1-CB 4.08Å; V929-F1021 HydrophobicContact CG1-CD1 3.89Å; V929-F1021 HydrophobicContact CG1-CG 4.2Å; E931-F1021 HydrophobicContact CB-CD1 4.19Å; E931-F1021 HydrophobicContact CB-CE1 4.39Å; E931-F1021 HydrophobicContact CG-CE1 4.44Å; I936-F1021 HydrophobicContact CD1-CD1 3.86Å; I936-F1021 HydrophobicContact CD1-CE1 3.67Å; I983-F1021 HydrophobicContact CD1-CB 4.16Å; I983-F1021 HydrophobicContact CD1-CD2 4Å; I983-F1021 HydrophobicContact CD1-CG 4Å; I983-F1021 HydrophobicContact CG1-CD2 4.3Å; N1014-F1021 WeakPolarHBondContact OD1-CE2 3.34Å; E1016-F1021 HydrophobicContact CB-CE2 4.5Å; R1019-F1021 HydrophobicContact CB-CE1 4.18Å; R1019-F1021 HydrophobicContact CB-CE2 3.77Å; R1019-F1021 HydrophobicContact CB-CZ 3.55Å; R1019-F1021 HydrophobicContact CG-CZ 4.45Å; F1021-V1023 HydrophobicContact CB-CG2 4.24Å | ||
| 1022 | T | 83 | Confident | 79.6 | Confident | 93 Ų | 93 | 48.7 Ų | 48.7 | 57% | 0.571 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 112.9 | 162.2 | -63.4 | 0 | 0 | 0 | 0 | 108.1 | I930 | I930-T1022 PolarHBondContact N-O 2.85Å; I930-T1022 PolarHBondContact O-N 3.4Å |
| 1023 | V | 84.1 | Confident | 78.7 | Confident | 44 Ų | 44 | 47.6 Ų | 47.6 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.4 | -179.7 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | V927 V929 I983 L985 V1012 F1021 | V927-V1023 HydrophobicContact CG2-CG1 4.05Å; V929-V1023 HydrophobicContact CG1-CG2 4.47Å; I983-V1023 HydrophobicContact CD1-CG2 3.93Å; L985-V1023 HydrophobicContact CD2-CG1 4.16Å; V1012-V1023 HydrophobicContact CG1-CB 4.29Å; V1012-V1023 HydrophobicContact CG1-CG1 4.3Å; V1012-V1023 HydrophobicContact CG1-CG2 4.05Å; V1012-V1023 HydrophobicContact CG2-CG1 4.41Å; F1021-V1023 HydrophobicContact CB-CG2 4.24Å |
| 1024 | S | 82.9 | Confident | 77.8 | Confident | 53 Ų | 53 | 50.5 Ų | 50.5 | 37% | 0.371 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.3 | 173.2 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | V927 T928 | V927-S1024 WeakPolarHBondContact CA-O 3.44Å; T928-S1024 PolarHBondContact N-O 3.35Å; T928-S1024 PolarHBondContact O-N 3.4Å |
| 1025 | V | 84.8 | Confident | 76.9 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 12% | 0.121 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 112.2 | 171.8 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | F925 I926 W1010 | F925-V1025 HydrophobicContact CB-CG1 4.39Å; F925-V1025 HydrophobicContact CD1-CG1 3.98Å; I926-V1025 CarbonylContact O-C 3.57Å; I926-V1025 WeakPolarHBondContact O-CA 3.45Å; W1010-V1025 HydrophobicContact CD2-CG1 4.25Å; W1010-V1025 HydrophobicContact CD2-CG2 4.49Å; W1010-V1025 HydrophobicContact CE3-CG2 4.47Å; W1010-V1025 HydrophobicContact CH2-CG1 4.47Å; W1010-V1025 HydrophobicContact CZ2-CG1 4Å |
| 1026 | T | 83.7 | Confident | 75.9 | Confident | 63 Ų | 63 | 56.7 Ų | 56.7 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.1 | 177.7 | -56 | 0 | 0 | 0 | 0 | 109 | F925 I926 T1028 | F925-T1026 CarbonylContact C-O 3.59Å; F925-T1026 WeakPolarHBondContact CA-O 3.37Å; I926-T1026 PolarHBondContact N-O 3.09Å; I926-T1026 PolarHBondContact O-N 2.8Å; T1026-T1028 HydrophobicContact CG2-CG2 4.35Å |
| 1027 | F | 84.2 | Confident | 74.9 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.5 | 169.9 | -178.3 | -121.4 | 0 | 0 | 0 | 109.1 | V815 V817 F903 N924 F925 F1029 L1076 | V815-F1027 HydrophobicContact CG1-CD1 4.39Å; V815-F1027 HydrophobicContact CG2-CB 4.42Å; V817-F1027 HydrophobicContact CG2-CE1 4.04Å; F903-F1027 HydrophobicContact CE1-CE2 4.49Å; F903-F1027 AromaticContact CE2-CE2 3.78Å; F903-F1027 HydrophobicContact CE2-CE2 3.78Å; F903-F1027 AromaticContact CZ-CE2 3.64Å; F903-F1027 HydrophobicContact CZ-CE2 3.64Å; F903-F1027 HydrophobicContact CZ-CZ 4.1Å; N924-F1027 WeakPolarHBondContact O-CD2 3.33Å; F925-F1027 HydrophobicContact CD1-CB 3.96Å; F925-F1027 AromaticContact CD1-CD2 3.7Å; F925-F1027 HydrophobicContact CD1-CD2 3.7Å; F925-F1027 HydrophobicContact CD1-CG 4.23Å; F925-F1027 HydrophobicContact CD2-CD2 4.33Å; F925-F1027 HydrophobicContact CE1-CB 3.84Å; F925-F1027 AromaticContact CE1-CD2 3.43Å; F925-F1027 HydrophobicContact CE1-CD2 3.43Å; F925-F1027 VanDerWaalsContact CE1-CD2 3.43Å; F925-F1027 HydrophobicContact CE1-CE2 4.24Å; F925-F1027 AromaticContact CE1-CG 3.83Å; F925-F1027 HydrophobicContact CE1-CG 3.83Å; F925-F1027 HydrophobicContact CE2-CD2 4.11Å; F925-F1027 HydrophobicContact CE2-CE2 4.22Å; F925-F1027 HydrophobicContact CG-CD2 4.15Å; F925-F1027 AromaticContact CZ-CD2 3.65Å; F925-F1027 HydrophobicContact CZ-CD2 3.65Å; F925-F1027 AromaticContact CZ-CE2 4Å; F925-F1027 HydrophobicContact CZ-CE2 4Å; F925-F1027 HydrophobicContact CZ-CG 4.34Å; F1027-F1029 HydrophobicContact CD1-CB 4.43Å; F1027-F1029 HydrophobicContact CE1-CB 3.81Å; F1027-F1029 HydrophobicContact CE1-CD2 4.04Å; F1027-F1029 HydrophobicContact CE1-CG 4.21Å; F1027-F1029 HydrophobicContact CZ-CB 4.17Å; F1027-F1029 AromaticContact CZ-CD2 3.83Å; F1027-F1029 HydrophobicContact CZ-CD2 3.83Å; F1027-F1029 HydrophobicContact CZ-CG 4.4Å; F1027-L1076 HydrophobicContact CD1-CD1 4.39Å; F1027-L1076 HydrophobicContact CD1-CD2 3.9Å; F1027-L1076 HydrophobicContact CE1-CD1 4.45Å; F1027-L1076 HydrophobicContact CE1-CD2 3.61Å |
| 1028 | T | 80.6 | Confident | 74.2 | Confident | 28 Ų | 28 | 59.5 Ų | 59.5 | 17% | 0.172 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137.8 | 174.7 | 59.6 | 0 | 0 | 0 | 0 | 108.8 | A922 D923 N924 I926 W954 T1026 | A922-T1028 VanDerWaalsContact O-CB 3.3Å; A922-T1028 WeakPolarHBondContact O-CB 3.4Å; A922-T1028 PolarHBondContact O-OG1 3.27Å; D923-T1028 VanDerWaalsContact CA-O 3.31Å; D923-T1028 WeakPolarHBondContact CA-O 2.95Å; N924-T1028 PolarHBondContact N-O 3.06Å; N924-T1028 VanDerWaalsContact N-O 3.16Å; N924-T1028 PolarHBondContact N-OG1 3.39Å; N924-T1028 PolarHBondContact O-N 3.22Å; N924-T1028 PolarHBondContact O-OG1 3.15Å; I926-T1028 HydrophobicContact CD1-CG2 3.92Å; W954-T1028 HydrophobicContact CH2-CG2 3.74Å; W954-T1028 HydrophobicContact CZ2-CG2 4.28Å; T1026-T1028 HydrophobicContact CG2-CG2 4.35Å |
| 1029 | F | 78.6 | Confident | 73.1 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 13% | 0.127 | 30% | 0.299 | C | S | . | . | trans | -147 | 123.9 | -177.8 | -169.5 | -100.5 | 0 | 0 | 0 | 109.1 | F819 I895 D923 F1027 D1031 L1063 Y1074 L1076 | F819-F1029 HydrophobicContact CE1-CE2 4.49Å; F819-F1029 HydrophobicContact CE1-CZ 4.19Å; I895-F1029 HydrophobicContact CD1-CE2 4.09Å; I895-F1029 HydrophobicContact CD1-CZ 4.21Å; D923-F1029 WeakPolarHBondContact OD1-CA 3.21Å; F1027-F1029 HydrophobicContact CD1-CB 4.43Å; F1027-F1029 HydrophobicContact CE1-CB 3.81Å; F1027-F1029 HydrophobicContact CE1-CD2 4.04Å; F1027-F1029 HydrophobicContact CE1-CG 4.21Å; F1027-F1029 HydrophobicContact CZ-CB 4.17Å; F1027-F1029 AromaticContact CZ-CD2 3.83Å; F1027-F1029 HydrophobicContact CZ-CD2 3.83Å; F1027-F1029 HydrophobicContact CZ-CG 4.4Å; F1029-D1031 VanDerWaalsContact CZ-O 3.26Å; F1029-D1031 WeakPolarHBondContact CZ-O 3.27Å; F1029-L1063 HydrophobicContact CD1-CD1 3.94Å; F1029-Y1074 AromaticContact CE1-CD1 3.59Å; F1029-Y1074 HydrophobicContact CE1-CD1 3.59Å; F1029-Y1074 HydrophobicContact CE1-CD2 4.45Å; F1029-Y1074 HydrophobicContact CE1-CE1 4.09Å; F1029-Y1074 AromaticContact CE1-CG 3.82Å; F1029-Y1074 HydrophobicContact CE1-CG 3.82Å; F1029-Y1074 AromaticContact CZ-CD1 3.77Å; F1029-Y1074 HydrophobicContact CZ-CD1 3.77Å; F1029-Y1074 AromaticContact CZ-CE1 4Å; F1029-Y1074 HydrophobicContact CZ-CE1 4Å; F1029-Y1074 HydrophobicContact CZ-CG 4.46Å; F1029-L1076 HydrophobicContact CB-CD1 4.07Å | ||
| 1030 | R | 75.5 | Confident | 71.9 | Confident | 84 Ų | 84 | 53 Ų | 53 | 32% | 0.317 | 30% | 0.299 | S | S | . | . | trans | -89.6 | -59.5 | -179.7 | -175.7 | -172.6 | 75.6 | 163.9 | 8.4 | 110.9 | A922 D923 T1033 R1034 H1065 | A922-R1030 HydrophobicContact CB-CB 3.86Å; D923-R1030 PolarHBondContact OD1-N 3.44Å; R1030-T1033 PolarHBondContact NH2-O 2.93Å; R1030-R1034 PolarHBondContact NH2-O 3.18Å; R1030-H1065 PolarHBondContact O-NE2 3.35Å; R1030-H1065 VanDerWaalsContact O-NE2 3.12Å | ||
| 1031 | D | 71.7 | Confident | 71 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | trans | -166 | 172.1 | -173.5 | 50.3 | 15.9 | 0 | 0 | 0 | 110.7 | F1029 T1033 | F1029-D1031 VanDerWaalsContact CZ-O 3.26Å; F1029-D1031 WeakPolarHBondContact CZ-O 3.27Å; D1031-T1033 HydrophobicContact CB-CG2 4.35Å | ||
| 1032 | G | 68 | Low | 70.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -94.5 | 25.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F906 M908 Y1074 | F906-G1032 WeakPolarHBondContact CB-O 3.3Å; F906-G1032 VanDerWaalsContact CD1-C 3.47Å; M908-G1032 WeakPolarHBondContact CG-O 3.1Å; G1032-Y1074 WeakPolarHBondContact CA-OH 3.34Å |
| 1033 | T | 68.1 | Low | 70 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -145.5 | 147.4 | -178.9 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | E914 R1030 D1031 N1035 L1038 L1067 | E914-T1033 WeakPolarHBondContact OE1-CB 3.36Å; E914-T1033 PolarHBondContact OE1-OG1 3.37Å; E914-T1033 PolarHBondContact OE2-OG1 3.24Å; R1030-T1033 PolarHBondContact NH2-O 2.93Å; D1031-T1033 HydrophobicContact CB-CG2 4.35Å; T1033-N1035 VanDerWaalsContact C-N 3.32Å; T1033-N1035 PolarHBondContact OG1-N 2.93Å; T1033-L1038 HydrophobicContact CG2-CB 4.25Å; T1033-L1067 HydrophobicContact CG2-CD2 3.7Å | ||
| 1034 | R | 65.7 | Low | 69.8 | Low | 64 Ų | 64 | 63 Ų | 63 | 24% | 0.242 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -71 | -31.3 | 173 | -176.8 | -173.2 | 175.1 | -143.3 | 2 | 111.9 | E914 E916 E918 R1030 E1036 | E914-R1034 PolarHBondContact OE2-N 3.41Å; E916-R1034 VanDerWaalsContact CB-NH1 3.34Å; E916-R1034 IonicContact OE1-NH1 3.13Å; E916-R1034 PolarHBondContact OE1-NH1 2.68Å; E916-R1034 IonicContact OE2-CZ 2.89Å; E916-R1034 IonicContact OE2-NH1 3.68Å; E916-R1034 PolarHBondContact OE2-NH1 2.8Å; E918-R1034 IonicContact OE1-CZ 2.86Å; E918-R1034 IonicContact OE1-NH2 2.78Å; E918-R1034 PolarHBondContact OE1-NH2 3.3Å; E918-R1034 VanDerWaalsContact OE1-NH2 3.08Å; E918-R1034 IonicContact OE2-CZ 3.9Å; E918-R1034 IonicContact OE2-NE 3.83Å; E918-R1034 IonicContact OE2-NH2 3.41Å; E918-R1034 PolarHBondContact OE2-NH2 2.98Å; R1030-R1034 PolarHBondContact NH2-O 3.18Å; R1034-E1036 PolarHBondContact O-N 2.85Å |
| 1035 | N | 64.1 | Low | 69.8 | Low | 63 Ų | 63 | 65.7 Ų | 65.7 | 34% | 0.337 | 35% | 0.35 | S | S | . | . | trans | -73.3 | 110.8 | -158.1 | -165.3 | -25.1 | 0 | 0 | 0 | 112.9 | T1033 N1037 L1038 | T1033-N1035 VanDerWaalsContact C-N 3.32Å; T1033-N1035 PolarHBondContact OG1-N 2.93Å; N1035-N1037 PolarHBondContact O-N 3.37Å; N1035-N1037 VanDerWaalsContact O-N 3.08Å; N1035-N1037 WeakPolarHBondContact OD1-CB 3.21Å; N1035-N1037 PolarHBondContact OD1-N 3.21Å; N1035-L1038 HydrophobicContact CB-CB 4.19Å; N1035-L1038 HydrophobicContact CB-CD1 3.7Å; N1035-L1038 HydrophobicContact CB-CG 4.45Å; N1035-L1038 WeakPolarHBondContact ND2-CD1 3.45Å; N1035-L1038 PolarHBondContact O-N 3.43Å | ||
| 1036 | E | 59.9 | Low | 69.7 | Low | 143 Ų | 143 | 68.8 Ų | 68.8 | 67% | 0.668 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23.9 | 178.4 | -61.2 | -175.6 | 165.7 | 0 | 0 | 112.9 | R1034 | R1034-E1036 PolarHBondContact O-N 2.85Š|
| 1037 | N | 54.6 | Low | 69.6 | Low | 152 Ų | 152 | 67.7 Ų | 67.7 | 81% | 0.813 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8.1 | 178.6 | -58.8 | -47.3 | 0 | 0 | 0 | 114 | N1035 | N1035-N1037 PolarHBondContact O-N 3.37Å; N1035-N1037 VanDerWaalsContact O-N 3.08Å; N1035-N1037 WeakPolarHBondContact OD1-CB 3.21Å; N1035-N1037 PolarHBondContact OD1-N 3.21Å |
| 1038 | L | 54.3 | Low | 69.5 | Low | 20 Ų | 20 | 71 Ų | 71 | 11% | 0.105 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -8.3 | 176.5 | -93.3 | 82.4 | 0 | 0 | 0 | 113 | L909 T1033 N1035 S1040 K1068 | L909-L1038 HydrophobicContact CD1-CD2 4.18Å; T1033-L1038 HydrophobicContact CG2-CB 4.25Å; N1035-L1038 HydrophobicContact CB-CB 4.19Å; N1035-L1038 HydrophobicContact CB-CD1 3.7Å; N1035-L1038 HydrophobicContact CB-CG 4.45Å; N1035-L1038 WeakPolarHBondContact ND2-CD1 3.45Å; N1035-L1038 PolarHBondContact O-N 3.43Å; L1038-S1040 PolarHBondContact O-N 3.14Å; L1038-K1068 HydrophobicContact CD2-CD 3.97Å; L1038-K1068 HydrophobicContact CD2-CG 3.73Å; L1038-K1068 HydrophobicContact CG-CD 4.47Å; L1038-K1068 HydrophobicContact CG-CG 4.01Å |
| 1039 | A | 51.9 | Low | 69.1 | Low | 61 Ų | 61 | 73 Ų | 73 | 50% | 0.504 | 40% | 0.402 | S | S | . | . | trans | -71.8 | 92.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1040 | S | 53 | Low | 68.7 | Low | 45 Ų | 45 | 77 Ų | 77 | 32% | 0.315 | 43% | 0.431 | S | S | . | . | trans | -90.4 | 168.8 | 173.3 | 62.7 | 0 | 0 | 0 | 0 | 111.5 | L1038 C1042 D1066 | L1038-S1040 PolarHBondContact O-N 3.14Å; S1040-C1042 PolarHBondContact O-N 3.49Å; S1040-D1066 WeakPolarHBondContact CB-O 3.47Å; S1040-D1066 VanDerWaalsContact OG-C 3.27Å; S1040-D1066 WeakPolarHBondContact OG-CA 3.46Å; S1040-D1066 WeakPolarHBondContact OG-CB 3.44Å; S1040-D1066 PolarHBondContact OG-N 3.37Å; S1040-D1066 VanDerWaalsContact OG-N 3.08Å; S1040-D1066 PolarHBondContact OG-O 3.23Å | ||
| 1041 | D | 60.6 | Low | 68.2 | Low | 151 Ų | 151 | 76.3 Ų | 76.3 | 81% | 0.807 | 43% | 0.433 | S | S | * | . | trans | -41.8 | 109.9 | -178.1 | -80.2 | -29.1 | 0 | 0 | 0 | 113.5 | ||||
| 1042 | C | 65.5 | Low | 67.4 | Low | 71 Ų | 71 | 82.5 Ų | 82.5 | 48% | 0.48 | 48% | 0.476 | S | S | . | . | trans | -85.9 | 120.6 | 175.5 | 176.6 | 0 | 0 | 0 | 0 | 110 | S1040 F1064 | S1040-C1042 PolarHBondContact O-N 3.49Å; C1042-F1064 WeakPolarHBondContact CA-O 3.42Å | ||
| 1043 | K | 77.8 | Confident | 66.7 | Low | 152 Ų | 152 | 86 Ų | 86 | 66% | 0.661 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 137.9 | 168 | -64.7 | 177.9 | -177.6 | 173.7 | 0 | 109.3 | L1063 F1064 | K1043-L1063 CarbonylContact O-C 3.2Å; K1043-L1063 WeakPolarHBondContact O-CA 3.39Å; K1043-F1064 HydrophobicContact CB-CB 4.25Å; K1043-F1064 HydrophobicContact CB-CD2 4.19Å; K1043-F1064 PolarHBondContact N-O 3.01Å; K1043-F1064 VanDerWaalsContact N-O 3.1Å; K1043-F1064 WeakPolarHBondContact O-CD2 3.42Å; K1043-F1064 PolarHBondContact O-N 2.58Å |
| 1044 | S | 80.1 | Confident | 66.1 | Low | 88 Ų | 88 | 92.7 Ų | 92.7 | 62% | 0.615 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 135.7 | 175.7 | 63.8 | 0 | 0 | 0 | 0 | 111.3 | Q1062 | S1044-Q1062 CarbonylContact C-O 2.98Å; S1044-Q1062 VanDerWaalsContact CA-O 3.23Å; S1044-Q1062 WeakPolarHBondContact CA-O 3.18Å |
| 1045 | Q | 82.9 | Confident | 66 | Low | 109 Ų | 109 | 96.3 Ų | 96.3 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.9 | 122.8 | 174.1 | -176 | 173.9 | 3.8 | 0 | 0 | 110.2 | V1061 Q1062 F1064 | Q1045-V1061 CarbonylContact O-C 3.59Å; Q1045-V1061 WeakPolarHBondContact O-CA 3.28Å; Q1045-Q1062 HydrophobicContact CB-CB 4.5Å; Q1045-Q1062 PolarHBondContact N-O 3.42Å; Q1045-Q1062 PolarHBondContact O-N 3.01Å; Q1045-F1064 HydrophobicContact CB-CE2 3.82Å |
| 1046 | A | 83.7 | Confident | 66.1 | Low | 84 Ų | 84 | 95.9 Ų | 95.9 | 69% | 0.694 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.4 | 144.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G1060 | A1046-G1060 CarbonylContact C-O 3.57Å; A1046-G1060 WeakPolarHBondContact CA-O 3.48Å |
| 1047 | F | 80.9 | Confident | 66.5 | Low | 41 Ų | 41 | 89.6 Ų | 89.6 | 18% | 0.18 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 152.9 | 176.2 | 70.6 | -88.5 | 0 | 0 | 0 | 112.1 | G1060 Q1062 A1075 A1077 | F1047-G1060 VanDerWaalsContact CD1-C 3.49Å; F1047-G1060 PolarHBondContact N-O 3.22Å; F1047-G1060 PolarHBondContact O-N 3.13Å; F1047-Q1062 HydrophobicContact CD1-CG 3.74Å; F1047-Q1062 HydrophobicContact CE1-CG 3.87Å; F1047-A1075 HydrophobicContact CE1-CB 4.38Å; F1047-A1075 HydrophobicContact CZ-CB 4.45Å; F1047-A1077 HydrophobicContact CE2-CB 4.12Å; F1047-A1077 HydrophobicContact CZ-CB 3.7Å |
| 1048 | V | 81.8 | Confident | 67.4 | Low | 103 Ų | 103 | 83.1 Ų | 83.1 | 62% | 0.624 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 124 | 171.5 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | A1057 S1058 V1059 | V1048-A1057 HydrophobicContact CG1-CB 4.11Å; V1048-S1058 CarbonylContact C-O 3.58Å; V1048-S1058 WeakPolarHBondContact CA-O 3.36Å; V1048-V1059 HydrophobicContact CG1-CG2 4.3Å; V1048-V1059 HydrophobicContact CG2-CG1 4.37Å; V1048-V1059 HydrophobicContact CG2-CG2 4.28Å |
| 1049 | T | 72.5 | Confident | 68.5 | Low | 71 Ų | 71 | 84.5 Ų | 84.5 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.5 | -178.9 | -49.8 | 0 | 0 | 0 | 0 | 109.7 | S1058 | T1049-S1058 WeakPolarHBondContact CB-OG 3.09Å; T1049-S1058 PolarHBondContact N-O 3.15Å; T1049-S1058 PolarHBondContact O-N 3.5Å; T1049-S1058 PolarHBondContact O-OG 3.37Å; T1049-S1058 VanDerWaalsContact O-OG 3.08Å |
| 1050 | P | 70.8 | Confident | 69.6 | Low | 111 Ų | 111 | 82.1 Ų | 82.1 | 72% | 0.721 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 135.8 | 176.1 | 26.3 | -32 | 0 | 0 | 0 | 110.9 | ||
| 1051 | L | 65.1 | Low | 70.9 | Confident | 71 Ų | 71 | 82.6 Ų | 82.6 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 135.6 | 175 | -69.3 | 160.8 | 0 | 0 | 0 | 109.6 | G1053 E1056 A1079 | L1051-G1053 PolarHBondContact O-N 3.33Å; L1051-E1056 WeakPolarHBondContact CB-O 3.35Å; L1051-E1056 HydrophobicContact CD1-CB 4.06Å; L1051-E1056 PolarHBondContact N-O 3.16Å; L1051-E1056 VanDerWaalsContact N-O 3.11Å; L1051-A1079 HydrophobicContact CD1-CB 4.48Å |
| 1052 | S | 53.7 | Low | 71.9 | Confident | 132 Ų | 132 | 78 Ų | 78 | 92% | 0.923 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 122.4 | -179.4 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1053 | G | 54.6 | Low | 72.4 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 77% | 0.773 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | 2.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | L1051 | L1051-G1053 PolarHBondContact O-N 3.33Š|
| 1054 | K | 55.1 | Low | 72.5 | Confident | 139 Ų | 139 | 72 Ų | 72 | 60% | 0.604 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -146.2 | 156.7 | 175 | -63.8 | -171.7 | 178.6 | -173.2 | 0 | 110.7 | E1056 | K1054-E1056 HydrophobicContact CB-CB 4.46Å; K1054-E1056 HydrophobicContact CB-CG 4.15Å; K1054-E1056 PolarHBondContact O-N 3.49Å |
| 1055 | N | 63.2 | Low | 72.2 | Confident | 141 Ų | 141 | 68.4 Ų | 68.4 | 75% | 0.754 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -66.5 | 50.9 | 171.4 | -78.5 | -5.6 | 0 | 0 | 0 | 112.1 | V1082 | N1055-V1082 PolarHBondContact O-N 3.46Š|
| 1056 | E | 65.7 | Low | 71.6 | Confident | 54 Ų | 54 | 66.6 Ų | 66.6 | 25% | 0.252 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.7 | -176 | -64.9 | -177.6 | 176.9 | 0 | 0 | 109 | R813 L1051 K1054 R1080 | R813-E1056 IonicContact NH1-OE2 3.74Å; L1051-E1056 WeakPolarHBondContact CB-O 3.35Å; L1051-E1056 HydrophobicContact CD1-CB 4.06Å; L1051-E1056 PolarHBondContact N-O 3.16Å; L1051-E1056 VanDerWaalsContact N-O 3.11Å; K1054-E1056 HydrophobicContact CB-CB 4.46Å; K1054-E1056 HydrophobicContact CB-CG 4.15Å; K1054-E1056 PolarHBondContact O-N 3.49Å; E1056-R1080 WeakPolarHBondContact CA-O 3.38Å |
| 1057 | A | 69.7 | Low | 70.9 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 8% | 0.083 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 139 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V1048 R1080 V1082 | V1048-A1057 HydrophobicContact CG1-CB 4.11Å; A1057-R1080 PolarHBondContact N-O 3.33Å; A1057-R1080 PolarHBondContact O-N 3.49Å; A1057-V1082 HydrophobicContact CB-CG2 3.45Å; A1057-V1082 VanDerWaalsContact CB-CG2 3.45Å |
| 1058 | S | 71.5 | Confident | 70.1 | Confident | 17 Ų | 17 | 68.5 Ų | 68.5 | 12% | 0.119 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 120.5 | 167.6 | 63.3 | 0 | 0 | 0 | 0 | 109.1 | V1048 T1049 V1078 | V1048-S1058 CarbonylContact C-O 3.58Å; V1048-S1058 WeakPolarHBondContact CA-O 3.36Å; T1049-S1058 WeakPolarHBondContact CB-OG 3.09Å; T1049-S1058 PolarHBondContact N-O 3.15Å; T1049-S1058 PolarHBondContact O-N 3.5Å; T1049-S1058 PolarHBondContact O-OG 3.37Å; T1049-S1058 VanDerWaalsContact O-OG 3.08Å; S1058-V1078 WeakPolarHBondContact CA-O 3.4Å |
| 1059 | V | 77.9 | Confident | 69.3 | Low | 49 Ų | 49 | 66.6 Ų | 66.6 | 30% | 0.297 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.6 | 175.2 | -178.7 | 0 | 0 | 0 | 0 | 108 | V1048 A1077 V1078 R1080 | V1048-V1059 HydrophobicContact CG1-CG2 4.3Å; V1048-V1059 HydrophobicContact CG2-CG1 4.37Å; V1048-V1059 HydrophobicContact CG2-CG2 4.28Å; V1059-A1077 CarbonylContact O-C 3.53Å; V1059-A1077 WeakPolarHBondContact O-CA 3.5Å; V1059-V1078 PolarHBondContact N-O 3.07Å; V1059-V1078 PolarHBondContact O-N 3.41Å; V1059-R1080 HydrophobicContact CG2-CB 3.85Å; V1059-R1080 HydrophobicContact CG2-CG 4.49Å |
| 1060 | G | 76.2 | Confident | 69 | Low | 10 Ų | 10 | 64.8 Ų | 64.8 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | -177.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1046 F1047 L1076 | A1046-G1060 CarbonylContact C-O 3.57Å; A1046-G1060 WeakPolarHBondContact CA-O 3.48Å; F1047-G1060 VanDerWaalsContact CD1-C 3.49Å; F1047-G1060 PolarHBondContact N-O 3.22Å; F1047-G1060 PolarHBondContact O-N 3.13Å; G1060-L1076 CarbonylContact C-O 3.5Å; G1060-L1076 WeakPolarHBondContact CA-O 3.32Å |
| 1061 | V | 80.3 | Confident | 68.9 | Low | 56 Ų | 56 | 66.4 Ų | 66.4 | 34% | 0.339 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.6 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | Q1045 L1063 L1076 | Q1045-V1061 CarbonylContact O-C 3.59Å; Q1045-V1061 WeakPolarHBondContact O-CA 3.28Å; V1061-L1063 HydrophobicContact CG1-CD2 3.85Å; V1061-L1063 HydrophobicContact CG1-CG 4.49Å; V1061-L1076 PolarHBondContact N-O 3.32Å; V1061-L1076 PolarHBondContact O-N 3.03Å |
| 1062 | Q | 79.9 | Confident | 69.1 | Low | 53 Ų | 53 | 63.2 Ų | 63.2 | 25% | 0.248 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.2 | 166.5 | -73.3 | 172.5 | -39.4 | 0 | 0 | 108.8 | S1044 Q1045 F1047 F1064 Y1074 A1075 | S1044-Q1062 CarbonylContact C-O 2.98Å; S1044-Q1062 VanDerWaalsContact CA-O 3.23Å; S1044-Q1062 WeakPolarHBondContact CA-O 3.18Å; Q1045-Q1062 HydrophobicContact CB-CB 4.5Å; Q1045-Q1062 PolarHBondContact N-O 3.42Å; Q1045-Q1062 PolarHBondContact O-N 3.01Å; F1047-Q1062 HydrophobicContact CD1-CG 3.74Å; F1047-Q1062 HydrophobicContact CE1-CG 3.87Å; Q1062-F1064 HydrophobicContact CB-CE2 4.08Å; Q1062-F1064 HydrophobicContact CB-CZ 4.2Å; Q1062-Y1074 CarbonylContact C-O 3.53Å; Q1062-Y1074 WeakPolarHBondContact CA-O 3.34Å; Q1062-A1075 HydrophobicContact CG-CB 4.35Å |
| 1063 | L | 77.4 | Confident | 70.1 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.6 | 174.5 | -51.8 | 170.3 | 0 | 0 | 0 | 108.1 | F1029 K1043 V1061 C1073 Y1074 L1076 | F1029-L1063 HydrophobicContact CD1-CD1 3.94Å; K1043-L1063 CarbonylContact O-C 3.2Å; K1043-L1063 WeakPolarHBondContact O-CA 3.39Å; V1061-L1063 HydrophobicContact CG1-CD2 3.85Å; V1061-L1063 HydrophobicContact CG1-CG 4.49Å; L1063-C1073 CarbonylContact O-C 3.5Å; L1063-C1073 WeakPolarHBondContact O-CA 3.46Å; L1063-Y1074 PolarHBondContact N-O 3Å; L1063-Y1074 PolarHBondContact O-N 3.44Å; L1063-L1076 HydrophobicContact CD1-CD1 4.04Å |
| 1064 | F | 79 | Confident | 71.1 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 34% | 0.338 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121 | 177.3 | -57.7 | -88.2 | 0 | 0 | 0 | 109 | C1042 K1043 Q1045 Q1062 C1072 C1073 | C1042-F1064 WeakPolarHBondContact CA-O 3.42Å; K1043-F1064 HydrophobicContact CB-CB 4.25Å; K1043-F1064 HydrophobicContact CB-CD2 4.19Å; K1043-F1064 PolarHBondContact N-O 3.01Å; K1043-F1064 VanDerWaalsContact N-O 3.1Å; K1043-F1064 WeakPolarHBondContact O-CD2 3.42Å; K1043-F1064 PolarHBondContact O-N 2.58Å; Q1045-F1064 HydrophobicContact CB-CE2 3.82Å; Q1062-F1064 HydrophobicContact CB-CE2 4.08Å; Q1062-F1064 HydrophobicContact CB-CZ 4.2Å; F1064-C1072 WeakPolarHBondContact CA-O 3.25Å; F1064-C1073 HydrophobicContact CD1-CB 4.32Å; F1064-C1073 HydrophobicContact CE1-CB 4.44Å |
| 1065 | H | 73.6 | Confident | 72.1 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 151.7 | 177.6 | -63.6 | 84.4 | 0 | 0 | 0 | 110.1 | R1030 C1072 Y1074 | R1030-H1065 PolarHBondContact O-NE2 3.35Å; R1030-H1065 VanDerWaalsContact O-NE2 3.12Å; H1065-C1072 PolarHBondContact N-O 3.27Å; H1065-C1072 PolarHBondContact O-N 3.49Å; H1065-Y1074 HydrophobicContact CB-CE2 4.24Å; H1065-Y1074 AromaticContact CE1-CD2 3.82Å; H1065-Y1074 AromaticContact ND1-CD2 3.26Å; H1065-Y1074 VanDerWaalsContact ND1-CD2 3.26Å; H1065-Y1074 WeakPolarHBondContact ND1-CD2 3.48Å; H1065-Y1074 AromaticContact ND1-CE2 3.49Å; H1065-Y1074 WeakPolarHBondContact ND1-CE2 3.27Å |
| 1066 | D | 71.7 | Confident | 72.9 | Confident | 72 Ų | 72 | 43.2 Ų | 43.2 | 39% | 0.385 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 104.2 | 169.7 | -177 | -14.3 | 0 | 0 | 0 | 109.8 | S1040 G1069 | S1040-D1066 WeakPolarHBondContact CB-O 3.47Å; S1040-D1066 VanDerWaalsContact OG-C 3.27Å; S1040-D1066 WeakPolarHBondContact OG-CA 3.46Å; S1040-D1066 WeakPolarHBondContact OG-CB 3.44Å; S1040-D1066 PolarHBondContact OG-N 3.37Å; S1040-D1066 VanDerWaalsContact OG-N 3.08Å; S1040-D1066 PolarHBondContact OG-O 3.23Å; D1066-G1069 WeakPolarHBondContact OD1-CA 3.38Å; D1066-G1069 PolarHBondContact OD1-N 3.17Å |
| 1067 | L | 67.5 | Low | 73.4 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 90.7 | -178.9 | -62.1 | -179.4 | 0 | 0 | 0 | 109.9 | L909 T1033 G1069 L1070 C1072 | L909-L1067 HydrophobicContact CD2-CB 4.15Å; T1033-L1067 HydrophobicContact CG2-CD2 3.7Å; L1067-G1069 PolarHBondContact O-N 3.28Å; L1067-L1070 PolarHBondContact N-O 3.48Å; L1067-L1070 VanDerWaalsContact O-CB 3.28Å; L1067-L1070 WeakPolarHBondContact O-CB 3.46Å; L1067-L1070 PolarHBondContact O-N 2.96Å; L1067-C1072 HydrophobicContact CD1-CB 4.42Å |
| 1068 | K | 64.6 | Low | 73.6 | Confident | 162 Ų | 162 | 43.4 Ų | 43.4 | 70% | 0.704 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 44.3 | -178.7 | -67 | -179.2 | 173.2 | 175.2 | 0 | 113.9 | L1038 L1070 | L1038-K1068 HydrophobicContact CD2-CD 3.97Å; L1038-K1068 HydrophobicContact CD2-CG 3.73Å; L1038-K1068 HydrophobicContact CG-CD 4.47Å; L1038-K1068 HydrophobicContact CG-CG 4.01Å; K1068-L1070 VanDerWaalsContact C-N 3.26Å; K1068-L1070 PolarHBondContact O-N 3.33Å |
| 1069 | G | 64.9 | Low | 73.6 | Confident | 64 Ų | 64 | 44.3 Ų | 44.3 | 66% | 0.66 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | -3.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1066 L1067 | D1066-G1069 WeakPolarHBondContact OD1-CA 3.38Å; D1066-G1069 PolarHBondContact OD1-N 3.17Å; L1067-G1069 PolarHBondContact O-N 3.28Å |
| 1070 | L | 66.5 | Low | 73 | Confident | 32 Ų | 32 | 49.8 Ų | 49.8 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 104.4 | 170.1 | -171.7 | 71.4 | 0 | 0 | 0 | 108.8 | T823 L909 L1067 K1068 C1072 | T823-L1070 HydrophobicContact CG2-CD1 4.02Å; L909-L1070 HydrophobicContact CD2-CD2 4.23Å; L1067-L1070 PolarHBondContact N-O 3.48Å; L1067-L1070 VanDerWaalsContact O-CB 3.28Å; L1067-L1070 WeakPolarHBondContact O-CB 3.46Å; L1067-L1070 PolarHBondContact O-N 2.96Å; K1068-L1070 VanDerWaalsContact C-N 3.26Å; K1068-L1070 PolarHBondContact O-N 3.33Å; L1070-C1072 PolarHBondContact O-N 3.06Å; L1070-C1072 PolarHBondContact O-SG 3.46Å |
| 1071 | Q | 69.3 | Low | 72 | Confident | 145 Ų | 145 | 53.9 Ų | 53.9 | 68% | 0.678 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 129.3 | 168.7 | -64.1 | -174.7 | -9.4 | 0 | 0 | 108.1 | P822 | P822-Q1071 WeakPolarHBondContact CD-O 3.49Å; P822-Q1071 HydrophobicContact CG-CB 4.19Å; P822-Q1071 WeakPolarHBondContact CG-O 3.43Å |
| 1072 | C | 69 | Low | 70.1 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.034 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137.4 | -179.7 | -67.2 | 0 | 0 | 0 | 0 | 109 | F1064 H1065 L1067 L1070 Y1074 | F1064-C1072 WeakPolarHBondContact CA-O 3.25Å; H1065-C1072 PolarHBondContact N-O 3.27Å; H1065-C1072 PolarHBondContact O-N 3.49Å; L1067-C1072 HydrophobicContact CD1-CB 4.42Å; L1070-C1072 PolarHBondContact O-N 3.06Å; L1070-C1072 PolarHBondContact O-SG 3.46Å; C1072-Y1074 HydrophobicContact CB-CE2 3.88Å |
| 1073 | C | 74.6 | Confident | 69.6 | Low | 19 Ų | 19 | 58.2 Ų | 58.2 | 13% | 0.128 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.8 | 175.9 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | L820 L1063 F1064 | L820-C1073 CarbonylContact C-O 3.53Å; L820-C1073 VanDerWaalsContact CA-O 3.26Å; L820-C1073 WeakPolarHBondContact CA-O 3.4Å; L820-C1073 HydrophobicContact CB-CB 4.25Å; L820-C1073 WeakPolarHBondContact CB-O 3.37Å; L820-C1073 PolarHBondContact N-O 2.81Å; L820-C1073 CarbonylContact O-C 3.56Å; L820-C1073 WeakPolarHBondContact O-CA 3.46Å; L820-C1073 WeakPolarHBondContact O-CB 3.42Å; L820-C1073 PolarHBondContact O-N 2.89Å; L1063-C1073 CarbonylContact O-C 3.5Å; L1063-C1073 WeakPolarHBondContact O-CA 3.46Å; F1064-C1073 HydrophobicContact CD1-CB 4.32Å; F1064-C1073 HydrophobicContact CE1-CB 4.44Å |
| 1074 | Y | 76.2 | Confident | 69.2 | Low | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.7 | 174.9 | -58.4 | -95.9 | 0 | 0 | 0 | 109.2 | F819 M908 F1029 G1032 Q1062 L1063 H1065 C1072 | F819-Y1074 AromaticContact CD1-CD1 3.48Å; F819-Y1074 HydrophobicContact CD1-CD1 3.48Å; F819-Y1074 VanDerWaalsContact CD1-CD1 3.48Å; F819-Y1074 AromaticContact CD1-CE1 3.68Å; F819-Y1074 HydrophobicContact CD1-CE1 3.68Å; F819-Y1074 AromaticContact CE1-CD1 3.91Å; F819-Y1074 HydrophobicContact CE1-CD1 3.91Å; F819-Y1074 HydrophobicContact CE1-CE1 4.15Å; M908-Y1074 HydrophobicContact CE-CE1 4.13Å; F1029-Y1074 AromaticContact CE1-CD1 3.59Å; F1029-Y1074 HydrophobicContact CE1-CD1 3.59Å; F1029-Y1074 HydrophobicContact CE1-CD2 4.45Å; F1029-Y1074 HydrophobicContact CE1-CE1 4.09Å; F1029-Y1074 AromaticContact CE1-CG 3.82Å; F1029-Y1074 HydrophobicContact CE1-CG 3.82Å; F1029-Y1074 AromaticContact CZ-CD1 3.77Å; F1029-Y1074 HydrophobicContact CZ-CD1 3.77Å; F1029-Y1074 AromaticContact CZ-CE1 4Å; F1029-Y1074 HydrophobicContact CZ-CE1 4Å; F1029-Y1074 HydrophobicContact CZ-CG 4.46Å; G1032-Y1074 WeakPolarHBondContact CA-OH 3.34Å; Q1062-Y1074 CarbonylContact C-O 3.53Å; Q1062-Y1074 WeakPolarHBondContact CA-O 3.34Å; L1063-Y1074 PolarHBondContact N-O 3Å; L1063-Y1074 PolarHBondContact O-N 3.44Å; H1065-Y1074 HydrophobicContact CB-CE2 4.24Å; H1065-Y1074 AromaticContact CE1-CD2 3.82Å; H1065-Y1074 AromaticContact ND1-CD2 3.26Å; H1065-Y1074 VanDerWaalsContact ND1-CD2 3.26Å; H1065-Y1074 WeakPolarHBondContact ND1-CD2 3.48Å; H1065-Y1074 AromaticContact ND1-CE2 3.49Å; H1065-Y1074 WeakPolarHBondContact ND1-CE2 3.27Å; C1072-Y1074 HydrophobicContact CB-CE2 3.88Å |
| 1075 | A | 76.1 | Confident | 68.6 | Low | 13 Ų | 13 | 59.2 Ų | 59.2 | 11% | 0.107 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G818 F1047 Q1062 | G818-A1075 PolarHBondContact N-O 3.5Å; G818-A1075 PolarHBondContact O-N 3.42Å; F1047-A1075 HydrophobicContact CE1-CB 4.38Å; F1047-A1075 HydrophobicContact CZ-CB 4.45Å; Q1062-A1075 HydrophobicContact CG-CB 4.35Å |
| 1076 | L | 78.6 | Confident | 68.4 | Low | 32 Ų | 32 | 62 Ų | 62 | 17% | 0.168 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 111.7 | 175.6 | -60.5 | 172.5 | 0 | 0 | 0 | 108.6 | V817 F1027 F1029 G1060 V1061 L1063 | V817-L1076 HydrophobicContact CB-CD2 4.18Å; V817-L1076 HydrophobicContact CG1-CD2 3.79Å; V817-L1076 HydrophobicContact CG2-CD2 3.71Å; F1027-L1076 HydrophobicContact CD1-CD1 4.39Å; F1027-L1076 HydrophobicContact CD1-CD2 3.9Å; F1027-L1076 HydrophobicContact CE1-CD1 4.45Å; F1027-L1076 HydrophobicContact CE1-CD2 3.61Å; F1029-L1076 HydrophobicContact CB-CD1 4.07Å; G1060-L1076 CarbonylContact C-O 3.5Å; G1060-L1076 WeakPolarHBondContact CA-O 3.32Å; V1061-L1076 PolarHBondContact N-O 3.32Å; V1061-L1076 PolarHBondContact O-N 3.03Å; L1063-L1076 HydrophobicContact CD1-CD1 4.04Å |
| 1077 | A | 76.2 | Confident | 68.1 | Low | 11 Ų | 11 | 61.4 Ų | 61.4 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 151.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V815 L816 F1047 V1059 | V815-A1077 CarbonylContact C-O 3.5Å; V815-A1077 VanDerWaalsContact CA-O 3.25Å; V815-A1077 WeakPolarHBondContact CA-O 3.24Å; L816-A1077 HydrophobicContact CB-CB 4.21Å; L816-A1077 PolarHBondContact N-O 2.84Å; L816-A1077 PolarHBondContact O-N 3.28Å; F1047-A1077 HydrophobicContact CE2-CB 4.12Å; F1047-A1077 HydrophobicContact CZ-CB 3.7Å; V1059-A1077 CarbonylContact O-C 3.53Å; V1059-A1077 WeakPolarHBondContact O-CA 3.5Å |
| 1078 | V | 75.1 | Confident | 68.2 | Low | 56 Ų | 56 | 65.3 Ų | 65.3 | 34% | 0.339 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 140.2 | 171 | 173.7 | 0 | 0 | 0 | 0 | 108.3 | I814 V815 S1058 V1059 R1080 | I814-V1078 HydrophobicContact CG1-CG1 4.46Å; I814-V1078 HydrophobicContact CG2-CG1 4.4Å; I814-V1078 HydrophobicContact CG2-CG2 4.19Å; V815-V1078 HydrophobicContact CG2-CG2 4.21Å; S1058-V1078 WeakPolarHBondContact CA-O 3.4Å; V1059-V1078 PolarHBondContact N-O 3.07Å; V1059-V1078 PolarHBondContact O-N 3.41Å; V1078-R1080 PolarHBondContact O-N 2.94Å |
| 1079 | A | 70.6 | Confident | 68.5 | Low | 37 Ų | 37 | 58.4 Ų | 58.4 | 31% | 0.306 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 117.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109 | R813 L1051 | R813-A1079 HydrophobicContact CB-CB 4.09Å; L1051-A1079 HydrophobicContact CD1-CB 4.48Å |
| 1080 | R | 65.1 | Low | 68.7 | Low | 164 Ų | 164 | 58 Ų | 58 | 62% | 0.619 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.1 | 173.6 | -175.6 | 176.2 | 178.6 | 174.3 | 0.2 | 107.9 | E1056 A1057 V1059 V1078 V1082 | E1056-R1080 WeakPolarHBondContact CA-O 3.38Å; A1057-R1080 PolarHBondContact N-O 3.33Å; A1057-R1080 PolarHBondContact O-N 3.49Å; V1059-R1080 HydrophobicContact CG2-CB 3.85Å; V1059-R1080 HydrophobicContact CG2-CG 4.49Å; V1078-R1080 PolarHBondContact O-N 2.94Å; R1080-V1082 PolarHBondContact O-N 2.99Å |
| 1081 | S | 54.8 | Low | 68.9 | Low | 95 Ų | 95 | 60.2 Ų | 60.2 | 66% | 0.664 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 121.5 | 162.5 | -170.4 | 0 | 0 | 0 | 0 | 107.2 | ||
| 1082 | V | 41.3 | Very low | 68.9 | Low | 142 Ų | 142 | 52.5 Ų | 52.5 | 86% | 0.861 | 30% | 0.303 | S | S | * | . | trans | -79.3 | 0 | 175.9 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | N1055 A1057 R1080 | N1055-V1082 PolarHBondContact O-N 3.46Å; A1057-V1082 HydrophobicContact CB-CG2 3.45Å; A1057-V1082 VanDerWaalsContact CB-CG2 3.45Å; R1080-V1082 PolarHBondContact O-N 2.99Å |
Retrieved 1,082 of 1,082 residues in 362.8 ms
(Link to these results)