| 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 | 52.1 | Low | 59.8 | Low | 213 Ų | 213 | 117.2 Ų | 117.2 | 100% | 1.049 | 59% | 0.593 | S | S | * | * | 0 | -47.6 | 0 | -66.4 | -176.5 | -176.8 | 0 | 0 | 113.9 | R3 F4 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.19Å; M1-F4 PolarHBondContact O-N 3.3Å | |||
| 2 | K | 55.5 | Low | 60.2 | Low | 195 Ų | 195 | 111.3 Ų | 111.3 | 85% | 0.848 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -54.6 | -36.4 | -176 | -62.2 | -179.7 | -178.7 | 178 | 0 | 115.8 | F4 A6 | K2-F4 VanDerWaalsContact C-N 3.34Å; K2-F4 PolarHBondContact O-N 2.9Å; K2-A6 PolarHBondContact O-N 3.41Å |
| 3 | R | 51.9 | Low | 60.7 | Low | 221 Ų | 221 | 111.5 Ų | 111.5 | 83% | 0.834 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.3 | -32.3 | -178.8 | -64.6 | -176.9 | -179.8 | 174.9 | -0.1 | 113.6 | M1 L7 | M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.19Å; R3-L7 WeakPolarHBondContact O-CG 3.37Å; R3-L7 PolarHBondContact O-N 3.36Å |
| 4 | F | 55.9 | Low | 60.8 | Low | 90 Ų | 90 | 108.9 Ų | 108.9 | 40% | 0.395 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.1 | -41.9 | -178.4 | -166.9 | -98.2 | 0 | 0 | 0 | 111.2 | M1 K2 A6 L7 T8 L85 Y88 | M1-F4 PolarHBondContact O-N 3.3Å; K2-F4 VanDerWaalsContact C-N 3.34Å; K2-F4 PolarHBondContact O-N 2.9Å; F4-A6 VanDerWaalsContact C-N 3.3Å; F4-A6 PolarHBondContact O-N 3.33Å; F4-L7 PolarHBondContact O-N 2.96Å; F4-T8 PolarHBondContact O-N 3.38Å; F4-T8 PolarHBondContact O-OG1 2.99Å; F4-L85 HydrophobicContact CE1-CD2 3.96Å; F4-L85 HydrophobicContact CZ-CD2 3.47Å; F4-L85 VanDerWaalsContact CZ-CD2 3.47Å; F4-Y88 HydrophobicContact CE2-CD1 4.2Å; F4-Y88 HydrophobicContact CE2-CE1 4.13Å; F4-Y88 HydrophobicContact CZ-CD1 4.11Å; F4-Y88 HydrophobicContact CZ-CE1 4.36Å |
| 5 | L | 57.5 | Low | 61 | Low | 139 Ų | 139 | 106.3 Ų | 106.3 | 73% | 0.728 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.1 | -38.5 | 177.6 | -145.7 | 103.7 | 0 | 0 | 0 | 112 | A9 | L5-A9 WeakPolarHBondContact O-CB 3.23Å; L5-A9 PolarHBondContact O-N 3.03Å |
| 6 | A | 58.6 | Low | 60.9 | Low | 51 Ų | 51 | 106.7 Ų | 106.7 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.7 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K2 F4 A9 I10 | K2-A6 PolarHBondContact O-N 3.41Å; F4-A6 VanDerWaalsContact C-N 3.3Å; F4-A6 PolarHBondContact O-N 3.33Å; A6-A9 PolarHBondContact O-N 3.21Å; A6-I10 WeakPolarHBondContact O-CD1 3.4Å; A6-I10 VanDerWaalsContact O-CG1 3.23Å; A6-I10 WeakPolarHBondContact O-CG1 3.44Å; A6-I10 PolarHBondContact O-N 3.26Å |
| 7 | L | 63.5 | Low | 60.6 | Low | 108 Ų | 108 | 103.8 Ų | 103.8 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 176.9 | -73.9 | 167.2 | 0 | 0 | 0 | 111.8 | R3 F4 A9 I10 V11 | R3-L7 WeakPolarHBondContact O-CG 3.37Å; R3-L7 PolarHBondContact O-N 3.36Å; F4-L7 PolarHBondContact O-N 2.96Å; L7-A9 VanDerWaalsContact C-N 3.32Å; L7-A9 PolarHBondContact O-N 3.43Å; L7-I10 PolarHBondContact O-N 3.18Å; L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 2.91Å |
| 8 | T | 64.6 | Low | 60.2 | Low | 65 Ų | 65 | 104.3 Ų | 104.3 | 40% | 0.399 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 174.9 | -49 | 0 | 0 | 0 | 0 | 111.6 | F4 V11 A12 | F4-T8 PolarHBondContact O-N 3.38Å; F4-T8 PolarHBondContact O-OG1 2.99Å; T8-V11 PolarHBondContact O-N 3.46Å; T8-A12 WeakPolarHBondContact O-CB 3.38Å; T8-A12 PolarHBondContact O-N 3.36Å |
| 9 | A | 65.5 | Low | 59.8 | Low | 49 Ų | 49 | 101.8 Ų | 101.8 | 41% | 0.405 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L5 A6 L7 V11 A12 I13 | L5-A9 WeakPolarHBondContact O-CB 3.23Å; L5-A9 PolarHBondContact O-N 3.03Å; A6-A9 PolarHBondContact O-N 3.21Å; L7-A9 VanDerWaalsContact C-N 3.32Å; L7-A9 PolarHBondContact O-N 3.43Å; A9-V11 PolarHBondContact O-N 3.18Å; A9-A12 PolarHBondContact O-N 3.18Å; A9-I13 WeakPolarHBondContact O-CB 3.37Å; A9-I13 WeakPolarHBondContact O-CD1 3.41Å; A9-I13 WeakPolarHBondContact O-CG1 3.47Å; A9-I13 PolarHBondContact O-N 2.96Å |
| 10 | I | 68.6 | Low | 59.2 | Low | 90 Ų | 90 | 103.8 Ų | 103.8 | 46% | 0.462 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 177 | -68.3 | 162.6 | 0 | 0 | 0 | 110.7 | A6 L7 I13 I14 | A6-I10 WeakPolarHBondContact O-CD1 3.4Å; A6-I10 VanDerWaalsContact O-CG1 3.23Å; A6-I10 WeakPolarHBondContact O-CG1 3.44Å; A6-I10 PolarHBondContact O-N 3.26Å; L7-I10 PolarHBondContact O-N 3.18Å; I10-I13 PolarHBondContact O-N 3.47Å; I10-I14 HydrophobicContact CG2-CD1 3.78Å; I10-I14 HydrophobicContact CG2-CG1 4.45Å; I10-I14 VanDerWaalsContact O-CG1 3.26Å; I10-I14 WeakPolarHBondContact O-CG1 3.38Å; I10-I14 PolarHBondContact O-N 2.85Å |
| 11 | V | 64.2 | Low | 58.5 | Low | 68 Ų | 68 | 102.3 Ų | 102.3 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 177.7 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | L7 T8 A9 I14 Q15 | L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 2.91Å; T8-V11 PolarHBondContact O-N 3.46Å; A9-V11 PolarHBondContact O-N 3.18Å; V11-I14 PolarHBondContact O-N 2.94Å; V11-Q15 WeakPolarHBondContact O-CB 3.34Å; V11-Q15 WeakPolarHBondContact O-CG 3.47Å; V11-Q15 PolarHBondContact O-N 3.49Å |
| 12 | A | 64.2 | Low | 58.1 | Low | 46 Ų | 46 | 95 Ų | 95 | 38% | 0.38 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T8 A9 Q15 V16 | T8-A12 WeakPolarHBondContact O-CB 3.38Å; T8-A12 PolarHBondContact O-N 3.36Å; A9-A12 PolarHBondContact O-N 3.18Å; A12-Q15 PolarHBondContact O-N 3.04Å; A12-V16 WeakPolarHBondContact O-CG2 3.33Å; A12-V16 PolarHBondContact O-N 3.23Å; A12-V16 VanDerWaalsContact O-N 3.09Å |
| 13 | I | 66.5 | Low | 57.4 | Low | 114 Ų | 114 | 93.1 Ų | 93.1 | 59% | 0.585 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -43.9 | 175.3 | -68.2 | 162.4 | 0 | 0 | 0 | 110.5 | A9 I10 Q15 V16 S17 | A9-I13 WeakPolarHBondContact O-CB 3.37Å; A9-I13 WeakPolarHBondContact O-CD1 3.41Å; A9-I13 WeakPolarHBondContact O-CG1 3.47Å; A9-I13 PolarHBondContact O-N 2.96Å; I10-I13 PolarHBondContact O-N 3.47Å; I13-Q15 PolarHBondContact O-N 3.1Å; I13-V16 PolarHBondContact O-N 3.38Å; I13-S17 PolarHBondContact O-N 2.9Å; I13-S17 PolarHBondContact O-OG 3.44Å |
| 14 | I | 62.5 | Low | 57 | Low | 76 Ų | 76 | 88.4 Ų | 88.4 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 178 | -69.1 | 167.2 | 0 | 0 | 0 | 110.5 | I10 V11 V16 S17 M18 | I10-I14 HydrophobicContact CG2-CD1 3.78Å; I10-I14 HydrophobicContact CG2-CG1 4.45Å; I10-I14 VanDerWaalsContact O-CG1 3.26Å; I10-I14 WeakPolarHBondContact O-CG1 3.38Å; I10-I14 PolarHBondContact O-N 2.85Å; V11-I14 PolarHBondContact O-N 2.94Å; I14-V16 VanDerWaalsContact C-N 3.28Å; I14-V16 PolarHBondContact O-N 3.29Å; I14-S17 WeakPolarHBondContact CA-OG 3.19Å; I14-S17 PolarHBondContact O-N 3.49Å; I14-S17 VanDerWaalsContact O-N 3.12Å; I14-S17 PolarHBondContact O-OG 3.01Å; I14-M18 HydrophobicContact CG2-CE 3.78Å; I14-M18 HydrophobicContact CG2-CG 3.85Å; I14-M18 WeakPolarHBondContact O-CB 3.5Å; I14-M18 WeakPolarHBondContact O-CG 3.26Å; I14-M18 PolarHBondContact O-N 2.98Å |
| 15 | Q | 63.3 | Low | 56.6 | Low | 70 Ų | 70 | 89.8 Ų | 89.8 | 33% | 0.327 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -31.2 | 177.1 | -75.8 | -179.7 | -16.5 | 0 | 0 | 113.3 | V11 A12 I13 P19 | V11-Q15 WeakPolarHBondContact O-CB 3.34Å; V11-Q15 WeakPolarHBondContact O-CG 3.47Å; V11-Q15 PolarHBondContact O-N 3.49Å; A12-Q15 PolarHBondContact O-N 3.04Å; I13-Q15 PolarHBondContact O-N 3.1Å; Q15-P19 WeakPolarHBondContact O-CD 3.48Å |
| 16 | V | 59.7 | Low | 55.9 | Low | 112 Ų | 112 | 89 Ų | 89 | 68% | 0.679 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -78.5 | -29.1 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 111.9 | A12 I13 I14 P19 | A12-V16 WeakPolarHBondContact O-CG2 3.33Å; A12-V16 PolarHBondContact O-N 3.23Å; A12-V16 VanDerWaalsContact O-N 3.09Å; I13-V16 PolarHBondContact O-N 3.38Å; I14-V16 VanDerWaalsContact C-N 3.28Å; I14-V16 PolarHBondContact O-N 3.29Å; V16-P19 WeakPolarHBondContact O-CD 3.35Å; V16-P19 WeakPolarHBondContact O-CG 3.37Å |
| 17 | S | 55.8 | Low | 55.1 | Low | 57 Ų | 57 | 94.8 Ų | 94.8 | 40% | 0.399 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -85.4 | -25.7 | 179.2 | 64.3 | 0 | 0 | 0 | 0 | 115.3 | I13 I14 T21 | I13-S17 PolarHBondContact O-N 2.9Å; I13-S17 PolarHBondContact O-OG 3.44Å; I14-S17 WeakPolarHBondContact CA-OG 3.19Å; I14-S17 PolarHBondContact O-N 3.49Å; I14-S17 VanDerWaalsContact O-N 3.12Å; I14-S17 PolarHBondContact O-OG 3.01Å; S17-T21 PolarHBondContact O-OG1 3.44Å |
| 18 | M | 53.5 | Low | 53.9 | Low | 114 Ų | 114 | 93.9 Ų | 93.9 | 56% | 0.562 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.3 | -31.2 | -179.3 | -73.4 | -83.1 | 171.1 | 0 | 0 | 116.4 | I14 Q20 T21 | I14-M18 HydrophobicContact CG2-CE 3.78Å; I14-M18 HydrophobicContact CG2-CG 3.85Å; I14-M18 WeakPolarHBondContact O-CB 3.5Å; I14-M18 WeakPolarHBondContact O-CG 3.26Å; I14-M18 PolarHBondContact O-N 2.98Å; M18-Q20 PolarHBondContact O-N 3.31Å; M18-T21 PolarHBondContact O-OG1 2.89Å |
| 19 | P | 52.3 | Low | 52.8 | Low | 57 Ų | 57 | 97.2 Ų | 97.2 | 37% | 0.37 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.2 | -19.2 | 179.1 | 24.2 | -32.7 | 0 | 0 | 0 | 113.4 | Q15 V16 W70 | Q15-P19 WeakPolarHBondContact O-CD 3.48Å; V16-P19 WeakPolarHBondContact O-CD 3.35Å; V16-P19 WeakPolarHBondContact O-CG 3.37Å; P19-W70 HydrophobicContact CB-CH2 3.91Å; P19-W70 HydrophobicContact CB-CZ2 4.03Å |
| 20 | Q | 47.8 | Very low | 51.6 | Low | 140 Ų | 140 | 97.3 Ų | 97.3 | 65% | 0.654 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -95.2 | -24.1 | -178.8 | -66.2 | -170.1 | -11 | 0 | 0 | 113.1 | M18 M23 | M18-Q20 PolarHBondContact O-N 3.31Å; Q20-M23 PolarHBondContact O-N 3.33Å |
| 21 | T | 45.9 | Very low | 50.5 | Low | 74 Ų | 74 | 101.4 Ų | 101.4 | 45% | 0.454 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -75.7 | -22.4 | 177.4 | 37.5 | 0 | 0 | 0 | 0 | 113.8 | S17 M18 M23 I24 V25 | S17-T21 PolarHBondContact O-OG1 3.44Å; M18-T21 PolarHBondContact O-OG1 2.89Å; T21-M23 VanDerWaalsContact C-N 3.29Å; T21-I24 PolarHBondContact O-N 2.94Å; T21-V25 VanDerWaalsContact O-CG2 3.25Å; T21-V25 WeakPolarHBondContact O-CG2 3.43Å; T21-V25 PolarHBondContact O-N 3.45Å |
| 22 | A | 42.3 | Very low | 49.6 | Very low | 60 Ų | 60 | 103.1 Ų | 103.1 | 50% | 0.496 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.3 | -25.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I24 | A22-I24 VanDerWaalsContact C-N 3.34Å |
| 23 | M | 40.9 | Very low | 48.7 | Very low | 155 Ų | 155 | 104.6 Ų | 104.6 | 76% | 0.764 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -80 | -17.1 | 178.3 | -158.5 | 175.9 | -146.4 | 0 | 0 | 112.8 | Q20 T21 | Q20-M23 PolarHBondContact O-N 3.33Å; T21-M23 VanDerWaalsContact C-N 3.29Å |
| 24 | I | 44.9 | Very low | 47.6 | Very low | 122 Ų | 122 | 109 Ų | 109 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -105.7 | -11.7 | -176.8 | -59.1 | 168.8 | 0 | 0 | 0 | 111.6 | T21 A22 | T21-I24 PolarHBondContact O-N 2.94Å; A22-I24 VanDerWaalsContact C-N 3.34Å |
| 25 | V | 46.3 | Very low | 47 | Very low | 118 Ų | 118 | 114.3 Ų | 114.3 | 72% | 0.715 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -99.6 | -0.9 | 179.3 | 179.6 | 0 | 0 | 0 | 0 | 113.1 | T21 | T21-V25 VanDerWaalsContact O-CG2 3.25Å; T21-V25 WeakPolarHBondContact O-CG2 3.43Å; T21-V25 PolarHBondContact O-N 3.45Å |
| 26 | T | 43.1 | Very low | 46.1 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -88.6 | -2.3 | 167.9 | 39 | 0 | 0 | 0 | 0 | 114.1 | ||
| 27 | E | 42.3 | Very low | 45.5 | Very low | 173 Ų | 173 | 121.3 Ų | 121.3 | 81% | 0.808 | 70% | 0.697 | S | S | * | * | trans | -108.8 | 66.3 | 168.1 | -75.9 | -170.9 | 145.8 | 0 | 0 | 110.7 | ||||
| 28 | S | 38.4 | Very low | 45.2 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | trans | -142.8 | 100.4 | 155.8 | -173.6 | 0 | 0 | 0 | 0 | 108 | G30 | S28-G30 PolarHBondContact O-N 3.02Š| ||
| 29 | P | 41.8 | Very low | 45.1 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | trans | -73.5 | 113.3 | -178.5 | 31 | -30.2 | 0 | 0 | 0 | 107.7 | ||||
| 30 | G | 40.2 | Very low | 45.2 | Very low | 51 Ų | 51 | 135.2 Ų | 135.2 | 53% | 0.526 | 75% | 0.748 | S | S | . | * | S | Bend | trans | 111.5 | 144.1 | 170 | 0 | 0 | 0 | 0 | 0 | 112.9 | S28 | S28-G30 PolarHBondContact O-N 3.02Š|
| 31 | I | 45 | Very low | 45.3 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 90% | 0.903 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 87.4 | 87.7 | 178.5 | -41.8 | 155 | 0 | 0 | 0 | 112.5 | ||
| 32 | A | 45.3 | Very low | 45.4 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | 134.4 | 76.5 | 140.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 33 | G | 44.7 | Very low | 45.9 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -154.3 | 80.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | E35 | G33-E35 PolarHBondContact O-N 2.98Š| ||
| 34 | K | 43.7 | Very low | 46.3 | Very low | 206 Ų | 206 | 135 Ų | 135 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | trans | -65.7 | 92.9 | -178.4 | -74.6 | 177.8 | 173.3 | -179.4 | 0 | 110.8 | ||||
| 35 | E | 50.7 | Low | 46.8 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -134.6 | 88 | 144.3 | -76.1 | -160.6 | 151.4 | 0 | 0 | 108.4 | G33 K37 | G33-E35 PolarHBondContact O-N 2.98Å; E35-K37 PolarHBondContact O-N 3.3Å | ||
| 36 | T | 43.9 | Very low | 46.9 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -67.5 | 86.8 | 174.6 | 36.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 37 | K | 48 | Very low | 47.3 | Very low | 185 Ų | 185 | 134 Ų | 134 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -129.1 | 73.1 | 146.3 | -147.8 | -175.9 | -175.3 | -164.7 | 0 | 108.5 | E35 E39 | E35-K37 PolarHBondContact O-N 3.3Å; K37-E39 VanDerWaalsContact C-N 3.28Å; K37-E39 PolarHBondContact O-N 2.85Å | ||
| 38 | R | 49.4 | Very low | 47.6 | Very low | 227 Ų | 227 | 130.8 Ų | 130.8 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | -70.7 | 84.4 | 171.1 | -166.5 | -179.8 | -166.7 | 158.2 | 2.5 | 107.2 | V40 | R38-V40 PolarHBondContact O-N 3.25Å; R38-V40 VanDerWaalsContact O-N 3.14Å | ||
| 39 | E | 50.4 | Low | 48.4 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -68.5 | 106.7 | 157.4 | -96.3 | -174 | 175.4 | 0 | 0 | 106.6 | K37 G41 | K37-E39 VanDerWaalsContact C-N 3.28Å; K37-E39 PolarHBondContact O-N 2.85Å; E39-G41 PolarHBondContact O-N 2.92Å | ||
| 40 | V | 53.3 | Low | 49 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -63.4 | 115.1 | 177.3 | -167.2 | 0 | 0 | 0 | 0 | 106.2 | R38 N42 | R38-V40 PolarHBondContact O-N 3.25Å; R38-V40 VanDerWaalsContact O-N 3.14Å; V40-N42 PolarHBondContact O-N 3.43Å | ||
| 41 | G | 51.8 | Low | 49.8 | Very low | 70 Ų | 70 | 139.8 Ų | 139.8 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -50.4 | 116.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | E39 A43 | E39-G41 PolarHBondContact O-N 2.92Å; G41-A43 PolarHBondContact O-N 2.92Å | ||
| 42 | N | 46.1 | Very low | 50.4 | Low | 146 Ų | 146 | 137.2 Ų | 137.2 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -71.7 | 110.6 | 174.2 | -167.7 | 19.5 | 0 | 0 | 0 | 106.9 | V40 T44 | V40-N42 PolarHBondContact O-N 3.43Å; N42-T44 PolarHBondContact O-N 3.35Å | ||
| 43 | A | 52.8 | Low | 50.8 | Low | 91 Ų | 91 | 137.2 Ų | 137.2 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -62.1 | 97.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | G41 S45 | G41-A43 PolarHBondContact O-N 2.92Å; A43-S45 PolarHBondContact O-N 3.39Å | ||
| 44 | T | 50.9 | Low | 51.3 | Low | 117 Ų | 117 | 140.8 Ų | 140.8 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | -64.8 | 121.4 | 170.4 | 38.6 | 0 | 0 | 0 | 0 | 108.6 | N42 D46 | N42-T44 PolarHBondContact O-N 3.35Å; T44-D46 PolarHBondContact O-N 2.9Å | ||
| 45 | S | 54 | Low | 51.8 | Low | 121 Ų | 121 | 134.8 Ų | 134.8 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -66.1 | 33.1 | -176.2 | -178.6 | 0 | 0 | 0 | 0 | 114.7 | A43 | A43-S45 PolarHBondContact O-N 3.39Š|
| 46 | D | 49.5 | Very low | 52.1 | Low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -134.2 | 78.7 | -179.7 | -86.9 | -48 | 0 | 0 | 0 | 110.4 | T44 T48 | T44-D46 PolarHBondContact O-N 2.9Å; D46-T48 PolarHBondContact O-N 3.37Å; D46-T48 PolarHBondContact O-OG1 2.81Å; D46-T48 VanDerWaalsContact O-OG1 3.06Å |
| 47 | G | 50.6 | Low | 52.6 | Low | 87 Ų | 87 | 136.9 Ų | 136.9 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | trans | 42.3 | 21.7 | 135.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 48 | T | 49.8 | Very low | 52.6 | Low | 106 Ų | 106 | 136 Ų | 136 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | trans | -131.6 | 101 | 179.2 | 46.3 | 0 | 0 | 0 | 0 | 110 | D46 Q50 | D46-T48 PolarHBondContact O-N 3.37Å; D46-T48 PolarHBondContact O-OG1 2.81Å; D46-T48 VanDerWaalsContact O-OG1 3.06Å; T48-Q50 PolarHBondContact O-N 3.35Å | ||
| 49 | L | 53.5 | Low | 52.9 | Low | 167 Ų | 167 | 134.1 Ų | 134.1 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -65.3 | 91.8 | 162.2 | -137.7 | 115.4 | 0 | 0 | 0 | 105 | D51 | L49-D51 PolarHBondContact O-N 3.36Š| ||
| 50 | Q | 54.7 | Low | 52.9 | Low | 144 Ų | 144 | 137.3 Ų | 137.3 | 67% | 0.673 | 75% | 0.752 | S | S | * | * | trans | -65.5 | 107.8 | 165.9 | -78.9 | 179.2 | 33.7 | 0 | 0 | 105.4 | T48 D52 | T48-Q50 PolarHBondContact O-N 3.35Å; Q50-D52 PolarHBondContact O-N 2.91Å | ||
| 51 | D | 56.9 | Low | 52.9 | Low | 153 Ų | 153 | 135.4 Ų | 135.4 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -57.8 | 78.5 | 154.1 | -86.2 | -61.5 | 0 | 0 | 0 | 106.5 | L49 D53 | L49-D51 PolarHBondContact O-N 3.36Å; D51-D53 VanDerWaalsContact C-N 3.34Å; D51-D53 PolarHBondContact O-N 3.35Å | ||
| 52 | D | 58.7 | Low | 53.2 | Low | 123 Ų | 123 | 138 Ų | 138 | 66% | 0.658 | 74% | 0.741 | S | S | * | * | trans | -62.9 | 105.6 | 169.7 | -102.4 | -32.3 | 0 | 0 | 0 | 106.2 | Q50 L54 | Q50-D52 PolarHBondContact O-N 2.91Å; D52-L54 PolarHBondContact O-N 2.95Å | ||
| 53 | D | 53.6 | Low | 53.9 | Low | 104 Ų | 104 | 136.6 Ų | 136.6 | 56% | 0.556 | 73% | 0.734 | S | S | * | * | trans | -44.7 | 91.1 | -179.5 | -151.6 | -13.9 | 0 | 0 | 0 | 110.9 | D51 S55 K56 | D51-D53 VanDerWaalsContact C-N 3.34Å; D51-D53 PolarHBondContact O-N 3.35Å; D53-S55 VanDerWaalsContact CG-OG 3.24Å; D53-S55 PolarHBondContact O-N 3.34Å; D53-S55 WeakPolarHBondContact OD1-CB 3.34Å; D53-S55 PolarHBondContact OD1-OG 3.09Å; D53-K56 PolarHBondContact O-N 3.12Å | ||
| 54 | L | 55.2 | Low | 54.5 | Low | 153 Ų | 153 | 135.4 Ų | 135.4 | 80% | 0.801 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -57.4 | -16.2 | 176.1 | -92.7 | 155.1 | 0 | 0 | 0 | 112.1 | D52 K56 Y57 | D52-L54 PolarHBondContact O-N 2.95Å; L54-K56 PolarHBondContact O-N 3.34Å; L54-Y57 PolarHBondContact O-N 3.21Å |
| 55 | S | 54.9 | Low | 55.5 | Low | 79 Ų | 79 | 131.2 Ų | 131.2 | 55% | 0.552 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -65.3 | -19.7 | 174.2 | 76.3 | 0 | 0 | 0 | 0 | 113.4 | D53 | D53-S55 VanDerWaalsContact CG-OG 3.24Å; D53-S55 PolarHBondContact O-N 3.34Å; D53-S55 WeakPolarHBondContact OD1-CB 3.34Å; D53-S55 PolarHBondContact OD1-OG 3.09Å |
| 56 | K | 55.3 | Low | 56.3 | Low | 179 Ų | 179 | 130 Ų | 130 | 78% | 0.778 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -90.1 | -11.4 | -176.4 | -137.6 | 177.9 | -174.8 | -179.3 | 0 | 114.5 | D53 L54 | D53-K56 PolarHBondContact O-N 3.12Å; L54-K56 PolarHBondContact O-N 3.34Å |
| 57 | Y | 54.1 | Low | 57.5 | Low | 197 Ų | 197 | 131.7 Ų | 131.7 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -104.6 | 4.7 | 176.9 | -71.6 | -80.9 | 0 | 0 | 0 | 113.7 | L54 K59 | L54-Y57 PolarHBondContact O-N 3.21Å; Y57-K59 PolarHBondContact O-N 3.39Å |
| 58 | E | 49.5 | Very low | 58.7 | Low | 165 Ų | 165 | 132.3 Ų | 132.3 | 77% | 0.771 | 67% | 0.67 | S | S | * | * | trans | -72.7 | 62.7 | 166.7 | -145.3 | -172 | 157.4 | 0 | 0 | 109.7 | R60 | E58-R60 VanDerWaalsContact C-N 3.27Å; E58-R60 PolarHBondContact O-N 3.46Å | ||
| 59 | K | 54.3 | Low | 60.2 | Low | 189 Ų | 189 | 133.1 Ų | 133.1 | 82% | 0.822 | 67% | 0.669 | S | S | * | * | trans | -61.1 | 102.7 | 158.1 | -112.1 | -176.7 | 179.5 | 179.9 | 0 | 104.7 | Y57 S61 | Y57-K59 PolarHBondContact O-N 3.39Å; K59-S61 WeakPolarHBondContact O-CA 3.49Å; K59-S61 WeakPolarHBondContact O-CB 3.39Å; K59-S61 PolarHBondContact O-N 2.9Å | ||
| 60 | R | 51.6 | Low | 61.3 | Low | 238 Ų | 238 | 130.7 Ų | 130.7 | 90% | 0.898 | 65% | 0.648 | S | S | * | * | trans | -52.9 | 80.7 | 164.5 | -148.3 | 178.6 | -165.3 | 172.9 | 4.9 | 107.5 | E58 D62 | E58-R60 VanDerWaalsContact C-N 3.27Å; E58-R60 PolarHBondContact O-N 3.46Å; R60-D62 PolarHBondContact O-N 2.9Å | ||
| 61 | S | 53.2 | Low | 62.5 | Low | 81 Ų | 81 | 127.7 Ų | 127.7 | 57% | 0.566 | 64% | 0.637 | S | S | * | * | trans | -78.7 | 100.7 | -167 | 149.4 | 0 | 0 | 0 | 0 | 107 | K59 D63 | K59-S61 WeakPolarHBondContact O-CA 3.49Å; K59-S61 WeakPolarHBondContact O-CB 3.39Å; K59-S61 PolarHBondContact O-N 2.9Å; S61-D63 PolarHBondContact O-N 2.92Å | ||
| 62 | D | 57.7 | Low | 63.7 | Low | 126 Ų | 126 | 125.4 Ų | 125.4 | 67% | 0.674 | 63% | 0.628 | S | S | * | * | trans | 36.9 | 32.9 | 150.7 | -75.4 | -34.9 | 0 | 0 | 0 | 118.7 | R60 A64 G65 V66 | R60-D62 PolarHBondContact O-N 2.9Å; D62-A64 PolarHBondContact O-N 2.87Å; D62-A64 VanDerWaalsContact O-N 3.14Å; D62-G65 WeakPolarHBondContact O-CA 3.49Å; D62-G65 PolarHBondContact O-N 3.3Å; D62-V66 PolarHBondContact O-N 3.19Å | ||
| 63 | D | 61.1 | Low | 64.7 | Low | 115 Ų | 115 | 122.2 Ų | 122.2 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -59.7 | -31.3 | 177 | -78.1 | -35.9 | 0 | 0 | 0 | 111 | S61 R67 | S61-D63 PolarHBondContact O-N 2.92Å; D63-R67 WeakPolarHBondContact O-CB 3.34Å; D63-R67 PolarHBondContact O-N 3.02Å |
| 64 | A | 64.9 | Low | 66 | Low | 67 Ų | 67 | 121.4 Ų | 121.4 | 55% | 0.554 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67 | -39.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | D62 N68 | D62-A64 PolarHBondContact O-N 2.87Å; D62-A64 VanDerWaalsContact O-N 3.14Å; A64-N68 VanDerWaalsContact O-CB 3.27Å; A64-N68 WeakPolarHBondContact O-CB 3.49Å; A64-N68 PolarHBondContact O-N 2.93Å; A64-N68 PolarHBondContact O-ND2 3.27Å |
| 65 | G | 71.7 | Confident | 67.3 | Low | 28 Ų | 28 | 118.5 Ų | 118.5 | 29% | 0.289 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.8 | -49.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D62 R67 N68 I69 | D62-G65 WeakPolarHBondContact O-CA 3.49Å; D62-G65 PolarHBondContact O-N 3.3Å; G65-R67 PolarHBondContact O-N 3.45Å; G65-N68 PolarHBondContact O-N 3.33Å; G65-I69 VanDerWaalsContact O-CG1 3.29Å; G65-I69 WeakPolarHBondContact O-CG1 3.15Å; G65-I69 PolarHBondContact O-N 3.35Å |
| 66 | V | 71.8 | Confident | 68.6 | Low | 96 Ų | 96 | 117.3 Ų | 117.3 | 58% | 0.582 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.4 | -42.9 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | D62 N68 I69 W70 | D62-V66 PolarHBondContact O-N 3.19Å; V66-N68 PolarHBondContact O-N 2.86Å; V66-I69 PolarHBondContact O-N 3.5Å; V66-W70 WeakPolarHBondContact O-CB 3.45Å; V66-W70 PolarHBondContact O-N 3Å |
| 67 | R | 74.1 | Confident | 70 | Confident | 169 Ų | 169 | 111.7 Ų | 111.7 | 64% | 0.638 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.9 | -41.9 | 176.5 | -171.3 | -177.5 | -59.7 | -162.3 | 0.3 | 112 | D63 G65 W70 L71 | D63-R67 WeakPolarHBondContact O-CB 3.34Å; D63-R67 PolarHBondContact O-N 3.02Å; G65-R67 PolarHBondContact O-N 3.45Å; R67-W70 PolarHBondContact O-N 3.3Å; R67-L71 HydrophobicContact CG-CD1 4.38Å; R67-L71 WeakPolarHBondContact O-CG 3.42Å; R67-L71 PolarHBondContact O-N 3.4Å |
| 68 | N | 75.2 | Confident | 71.3 | Confident | 99 Ų | 99 | 104.8 Ų | 104.8 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.3 | -44.5 | 177.5 | -75.7 | -18.4 | 0 | 0 | 0 | 111.8 | A64 G65 V66 W70 L71 V72 | A64-N68 VanDerWaalsContact O-CB 3.27Å; A64-N68 WeakPolarHBondContact O-CB 3.49Å; A64-N68 PolarHBondContact O-N 2.93Å; A64-N68 PolarHBondContact O-ND2 3.27Å; G65-N68 PolarHBondContact O-N 3.33Å; V66-N68 PolarHBondContact O-N 2.86Å; N68-W70 VanDerWaalsContact C-N 3.29Å; N68-W70 PolarHBondContact O-N 3.24Å; N68-L71 PolarHBondContact O-N 3.01Å; N68-V72 VanDerWaalsContact O-CG2 3.28Å; N68-V72 WeakPolarHBondContact O-CG2 3.37Å; N68-V72 PolarHBondContact O-N 3.49Å |
| 69 | I | 81.3 | Confident | 72.9 | Confident | 124 Ų | 124 | 100.1 Ų | 100.1 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.1 | -42.3 | 176.3 | -66.7 | 164.7 | 0 | 0 | 0 | 110.4 | G65 V66 V72 A73 | G65-I69 VanDerWaalsContact O-CG1 3.29Å; G65-I69 WeakPolarHBondContact O-CG1 3.15Å; G65-I69 PolarHBondContact O-N 3.35Å; V66-I69 PolarHBondContact O-N 3.5Å; I69-V72 PolarHBondContact O-N 3.41Å; I69-A73 WeakPolarHBondContact O-CB 3.39Å; I69-A73 PolarHBondContact O-N 3.31Å |
| 70 | W | 77.6 | Confident | 74.3 | Confident | 115 Ų | 115 | 93.7 Ų | 93.7 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 178.2 | -172.7 | 83.3 | 0 | 0 | 0 | 112.4 | P19 V66 R67 N68 V72 A73 F74 | P19-W70 HydrophobicContact CB-CH2 3.91Å; P19-W70 HydrophobicContact CB-CZ2 4.03Å; V66-W70 WeakPolarHBondContact O-CB 3.45Å; V66-W70 PolarHBondContact O-N 3Å; R67-W70 PolarHBondContact O-N 3.3Å; N68-W70 VanDerWaalsContact C-N 3.29Å; N68-W70 PolarHBondContact O-N 3.24Å; W70-V72 PolarHBondContact O-N 2.86Å; W70-A73 PolarHBondContact O-N 3.03Å; W70-F74 HydrophobicContact CH2-CD2 4.46Å; W70-F74 WeakPolarHBondContact O-CB 3.4Å; W70-F74 PolarHBondContact O-N 3.23Å |
| 71 | L | 80.5 | Confident | 75.5 | Confident | 82 Ų | 82 | 86.5 Ų | 86.5 | 43% | 0.429 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 175.5 | -72.9 | 173.4 | 0 | 0 | 0 | 112 | R67 N68 F74 V75 | R67-L71 HydrophobicContact CG-CD1 4.38Å; R67-L71 WeakPolarHBondContact O-CG 3.42Å; R67-L71 PolarHBondContact O-N 3.4Å; N68-L71 PolarHBondContact O-N 3.01Å; L71-F74 PolarHBondContact O-N 3.26Å; L71-V75 VanDerWaalsContact O-CG2 3.29Å; L71-V75 WeakPolarHBondContact O-CG2 3.37Å; L71-V75 PolarHBondContact O-N 3.05Å |
| 72 | V | 80.5 | Confident | 76.8 | Confident | 104 Ų | 104 | 84.4 Ų | 84.4 | 63% | 0.63 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.1 | -45.4 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | N68 I69 W70 F74 V75 A76 | N68-V72 VanDerWaalsContact O-CG2 3.28Å; N68-V72 WeakPolarHBondContact O-CG2 3.37Å; N68-V72 PolarHBondContact O-N 3.49Å; I69-V72 PolarHBondContact O-N 3.41Å; W70-V72 PolarHBondContact O-N 2.86Å; V72-F74 VanDerWaalsContact C-N 3.33Å; V72-F74 PolarHBondContact O-N 2.82Å; V72-V75 PolarHBondContact O-N 3.03Å; V72-A76 WeakPolarHBondContact O-CB 3.42Å; V72-A76 PolarHBondContact O-N 2.97Å |
| 73 | A | 80.5 | Confident | 77.9 | Confident | 57 Ų | 57 | 83.1 Ų | 83.1 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | I69 W70 A76 C77 | I69-A73 WeakPolarHBondContact O-CB 3.39Å; I69-A73 PolarHBondContact O-N 3.31Å; W70-A73 PolarHBondContact O-N 3.03Å; A73-A76 PolarHBondContact O-N 3.31Å; A73-C77 WeakPolarHBondContact O-CB 3.31Å; A73-C77 PolarHBondContact O-N 3.47Å |
| 74 | F | 81.2 | Confident | 79 | Confident | 86 Ų | 86 | 82.3 Ų | 82.3 | 38% | 0.377 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 177.7 | -174.2 | -94.4 | 0 | 0 | 0 | 112.1 | W70 L71 V72 C77 T78 | W70-F74 HydrophobicContact CH2-CD2 4.46Å; W70-F74 WeakPolarHBondContact O-CB 3.4Å; W70-F74 PolarHBondContact O-N 3.23Å; L71-F74 PolarHBondContact O-N 3.26Å; V72-F74 VanDerWaalsContact C-N 3.33Å; V72-F74 PolarHBondContact O-N 2.82Å; F74-C77 PolarHBondContact O-N 3.1Å; F74-T78 HydrophobicContact CD1-CG2 4.2Å; F74-T78 HydrophobicContact CE1-CG2 3.79Å; F74-T78 HydrophobicContact CE2-CG2 4.39Å; F74-T78 HydrophobicContact CZ-CG2 3.89Å; F74-T78 WeakPolarHBondContact O-CB 3.49Å; F74-T78 WeakPolarHBondContact O-CG2 3.29Å; F74-T78 PolarHBondContact O-N 2.75Å; F74-T78 PolarHBondContact O-OG1 3.4Å |
| 75 | V | 81.6 | Confident | 79.8 | Confident | 92 Ų | 92 | 83 Ų | 83 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.9 | -40.3 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L71 V72 T78 S79 | L71-V75 VanDerWaalsContact O-CG2 3.29Å; L71-V75 WeakPolarHBondContact O-CG2 3.37Å; L71-V75 PolarHBondContact O-N 3.05Å; V72-V75 PolarHBondContact O-N 3.03Å; V75-T78 WeakPolarHBondContact CA-OG1 3.35Å; V75-T78 PolarHBondContact O-OG1 2.93Å; V75-T78 VanDerWaalsContact O-OG1 3.1Å; V75-S79 VanDerWaalsContact O-CB 3.27Å; V75-S79 WeakPolarHBondContact O-CB 3.25Å; V75-S79 PolarHBondContact O-N 3.34Å; V75-S79 PolarHBondContact O-OG 3.4Å |
| 76 | A | 83.6 | Confident | 80.3 | Confident | 54 Ų | 54 | 88.3 Ų | 88.3 | 45% | 0.446 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V72 A73 S79 S80 | V72-A76 WeakPolarHBondContact O-CB 3.42Å; V72-A76 PolarHBondContact O-N 2.97Å; A73-A76 PolarHBondContact O-N 3.31Å; A76-S79 WeakPolarHBondContact CA-OG 3.38Å; A76-S79 PolarHBondContact O-OG 2.92Å; A76-S80 WeakPolarHBondContact O-CB 3.12Å; A76-S80 PolarHBondContact O-N 2.94Å; A76-S80 PolarHBondContact O-OG 3.49Å |
| 77 | C | 83.8 | Confident | 80.8 | Confident | 62 Ų | 62 | 86.2 Ų | 86.2 | 42% | 0.419 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.2 | -45.3 | 178.3 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | A73 F74 S80 M81 | A73-C77 WeakPolarHBondContact O-CB 3.31Å; A73-C77 PolarHBondContact O-N 3.47Å; F74-C77 PolarHBondContact O-N 3.1Å; C77-S80 WeakPolarHBondContact CA-OG 3.45Å; C77-S80 PolarHBondContact O-N 2.83Å; C77-S80 PolarHBondContact O-OG 3.05Å; C77-M81 WeakPolarHBondContact O-CB 3.27Å; C77-M81 VanDerWaalsContact O-CG 3.31Å; C77-M81 WeakPolarHBondContact O-CG 3.49Å; C77-M81 PolarHBondContact O-N 3.18Å |
| 78 | T | 81.5 | Confident | 81.3 | Confident | 52 Ų | 52 | 84.5 Ų | 84.5 | 32% | 0.319 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 178.9 | 48.1 | 0 | 0 | 0 | 0 | 112.3 | F74 V75 M81 G82 | F74-T78 HydrophobicContact CD1-CG2 4.2Å; F74-T78 HydrophobicContact CE1-CG2 3.79Å; F74-T78 HydrophobicContact CE2-CG2 4.39Å; F74-T78 HydrophobicContact CZ-CG2 3.89Å; F74-T78 WeakPolarHBondContact O-CB 3.49Å; F74-T78 WeakPolarHBondContact O-CG2 3.29Å; F74-T78 PolarHBondContact O-N 2.75Å; F74-T78 PolarHBondContact O-OG1 3.4Å; V75-T78 WeakPolarHBondContact CA-OG1 3.35Å; V75-T78 PolarHBondContact O-OG1 2.93Å; V75-T78 VanDerWaalsContact O-OG1 3.1Å; T78-M81 PolarHBondContact O-N 3.22Å; T78-G82 PolarHBondContact O-N 3.47Å |
| 79 | S | 82.8 | Confident | 81.5 | Confident | 67 Ų | 67 | 82.3 Ų | 82.3 | 47% | 0.469 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 175.9 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | V75 A76 M81 G82 V83 | V75-S79 VanDerWaalsContact O-CB 3.27Å; V75-S79 WeakPolarHBondContact O-CB 3.25Å; V75-S79 PolarHBondContact O-N 3.34Å; V75-S79 PolarHBondContact O-OG 3.4Å; A76-S79 WeakPolarHBondContact CA-OG 3.38Å; A76-S79 PolarHBondContact O-OG 2.92Å; S79-M81 PolarHBondContact O-N 3.46Å; S79-G82 PolarHBondContact O-N 2.86Å; S79-V83 WeakPolarHBondContact O-CG2 3.32Å; S79-V83 PolarHBondContact O-N 3.38Å |
| 80 | S | 83.7 | Confident | 81.6 | Confident | 54 Ų | 54 | 80.5 Ų | 80.5 | 38% | 0.378 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 177 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | A76 C77 G82 V83 I84 | A76-S80 WeakPolarHBondContact O-CB 3.12Å; A76-S80 PolarHBondContact O-N 2.94Å; A76-S80 PolarHBondContact O-OG 3.49Å; C77-S80 WeakPolarHBondContact CA-OG 3.45Å; C77-S80 PolarHBondContact O-N 2.83Å; C77-S80 PolarHBondContact O-OG 3.05Å; S80-G82 PolarHBondContact O-N 2.92Å; S80-V83 PolarHBondContact O-N 3.48Å; S80-I84 VanDerWaalsContact O-CG1 3.29Å; S80-I84 WeakPolarHBondContact O-CG1 3.34Å; S80-I84 PolarHBondContact O-N 3.48Å |
| 81 | M | 76.4 | Confident | 81.8 | Confident | 86 Ų | 86 | 80.1 Ų | 80.1 | 42% | 0.424 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 173.4 | -72.6 | -65.8 | 136.2 | 0 | 0 | 112.3 | C77 T78 S79 V83 I84 L85 | C77-M81 WeakPolarHBondContact O-CB 3.27Å; C77-M81 VanDerWaalsContact O-CG 3.31Å; C77-M81 WeakPolarHBondContact O-CG 3.49Å; C77-M81 PolarHBondContact O-N 3.18Å; T78-M81 PolarHBondContact O-N 3.22Å; S79-M81 PolarHBondContact O-N 3.46Å; M81-V83 VanDerWaalsContact C-N 3.34Å; M81-V83 PolarHBondContact O-N 2.99Å; M81-I84 HydrophobicContact CE-CD1 4.02Å; M81-I84 PolarHBondContact O-N 3.38Å; M81-I84 HydrophobicContact SD-CD1 4.36Å; M81-L85 WeakPolarHBondContact O-CG 3.5Å; M81-L85 PolarHBondContact O-N 2.92Å |
| 82 | G | 81 | Confident | 81.6 | Confident | 38 Ų | 38 | 78.3 Ų | 78.3 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T78 S79 S80 L85 F86 | T78-G82 PolarHBondContact O-N 3.47Å; S79-G82 PolarHBondContact O-N 2.86Å; S80-G82 PolarHBondContact O-N 2.92Å; G82-L85 PolarHBondContact O-N 3.3Å; G82-F86 WeakPolarHBondContact O-CB 3.37Å; G82-F86 PolarHBondContact O-N 2.94Å |
| 83 | V | 82.1 | Confident | 81.2 | Confident | 98 Ų | 98 | 77 Ų | 77 | 59% | 0.594 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 176.2 | 175 | 0 | 0 | 0 | 0 | 111.4 | S79 S80 M81 F86 A87 | S79-V83 WeakPolarHBondContact O-CG2 3.32Å; S79-V83 PolarHBondContact O-N 3.38Å; S80-V83 PolarHBondContact O-N 3.48Å; M81-V83 VanDerWaalsContact C-N 3.34Å; M81-V83 PolarHBondContact O-N 2.99Å; V83-F86 PolarHBondContact O-N 3.35Å; V83-A87 WeakPolarHBondContact O-CB 3.32Å; V83-A87 PolarHBondContact O-N 3.34Å |
| 84 | I | 82.4 | Confident | 80.7 | Confident | 99 Ų | 99 | 77.8 Ų | 77.8 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 178.1 | -66.2 | 162.7 | 0 | 0 | 0 | 110.8 | S80 M81 A87 Y88 | S80-I84 VanDerWaalsContact O-CG1 3.29Å; S80-I84 WeakPolarHBondContact O-CG1 3.34Å; S80-I84 PolarHBondContact O-N 3.48Å; M81-I84 HydrophobicContact CE-CD1 4.02Å; M81-I84 PolarHBondContact O-N 3.38Å; M81-I84 HydrophobicContact SD-CD1 4.36Å; I84-A87 PolarHBondContact O-N 3.42Å; I84-Y88 WeakPolarHBondContact O-CB 3.29Å; I84-Y88 PolarHBondContact O-N 2.92Å |
| 85 | L | 82.5 | Confident | 79.6 | Confident | 81 Ų | 81 | 76.9 Ų | 76.9 | 42% | 0.424 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177 | -68.3 | 177.6 | 0 | 0 | 0 | 111.8 | F4 M81 G82 Y88 A89 | F4-L85 HydrophobicContact CE1-CD2 3.96Å; F4-L85 HydrophobicContact CZ-CD2 3.47Å; F4-L85 VanDerWaalsContact CZ-CD2 3.47Å; M81-L85 WeakPolarHBondContact O-CG 3.5Å; M81-L85 PolarHBondContact O-N 2.92Å; G82-L85 PolarHBondContact O-N 3.3Å; L85-Y88 PolarHBondContact O-N 3.5Å; L85-A89 WeakPolarHBondContact O-CB 3.04Å; L85-A89 PolarHBondContact O-N 2.95Å |
| 86 | F | 82.6 | Confident | 78.5 | Confident | 139 Ų | 139 | 78.9 Ų | 78.9 | 61% | 0.61 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.2 | -45.2 | 176.8 | -176.1 | -105.2 | 0 | 0 | 0 | 111.8 | G82 V83 Y88 A89 L90 | G82-F86 WeakPolarHBondContact O-CB 3.37Å; G82-F86 PolarHBondContact O-N 2.94Å; V83-F86 PolarHBondContact O-N 3.35Å; F86-Y88 VanDerWaalsContact C-N 3.32Å; F86-Y88 PolarHBondContact O-N 2.96Å; F86-A89 PolarHBondContact O-N 3.2Å; F86-L90 HydrophobicContact CD1-CD1 3.89Å; F86-L90 HydrophobicContact CD1-CG 4.38Å; F86-L90 HydrophobicContact CE1-CD1 3.4Å; F86-L90 VanDerWaalsContact CE1-CD1 3.4Å; F86-L90 HydrophobicContact CE1-CG 4.06Å; F86-L90 HydrophobicContact CZ-CD1 3.89Å; F86-L90 HydrophobicContact CZ-CD2 4.32Å; F86-L90 HydrophobicContact CZ-CG 4.18Å; F86-L90 WeakPolarHBondContact O-CG 3.37Å; F86-L90 PolarHBondContact O-N 3.33Å |
| 87 | A | 81.9 | Confident | 77.1 | Confident | 52 Ų | 52 | 85.1 Ų | 85.1 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | V83 I84 L90 L91 | V83-A87 WeakPolarHBondContact O-CB 3.32Å; V83-A87 PolarHBondContact O-N 3.34Å; I84-A87 PolarHBondContact O-N 3.42Å; A87-L90 PolarHBondContact O-N 2.99Å; A87-L91 WeakPolarHBondContact O-CB 3.39Å; A87-L91 PolarHBondContact O-N 2.96Å |
| 88 | Y | 83.7 | Confident | 75.6 | Confident | 134 Ų | 134 | 90.8 Ų | 90.8 | 53% | 0.525 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 175.9 | -171.3 | -100.5 | 0 | 0 | 0 | 112.3 | F4 I84 L85 F86 L91 A92 | F4-Y88 HydrophobicContact CE2-CD1 4.2Å; F4-Y88 HydrophobicContact CE2-CE1 4.13Å; F4-Y88 HydrophobicContact CZ-CD1 4.11Å; F4-Y88 HydrophobicContact CZ-CE1 4.36Å; I84-Y88 WeakPolarHBondContact O-CB 3.29Å; I84-Y88 PolarHBondContact O-N 2.92Å; L85-Y88 PolarHBondContact O-N 3.5Å; F86-Y88 VanDerWaalsContact C-N 3.32Å; F86-Y88 PolarHBondContact O-N 2.96Å; Y88-L91 PolarHBondContact O-N 3.47Å; Y88-A92 WeakPolarHBondContact O-CB 3.27Å; Y88-A92 PolarHBondContact O-N 3.28Å |
| 89 | A | 79.8 | Confident | 74.2 | Confident | 52 Ų | 52 | 93.8 Ų | 93.8 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L85 F86 A92 T93 | L85-A89 WeakPolarHBondContact O-CB 3.04Å; L85-A89 PolarHBondContact O-N 2.95Å; F86-A89 PolarHBondContact O-N 3.2Å; A89-A92 PolarHBondContact O-N 3.14Å; A89-T93 WeakPolarHBondContact O-CG2 3.29Å; A89-T93 PolarHBondContact O-N 2.9Å; A89-T93 PolarHBondContact O-OG1 2.67Å |
| 90 | L | 83 | Confident | 72.1 | Confident | 86 Ų | 86 | 93.7 Ų | 93.7 | 45% | 0.45 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 173.8 | -71.3 | -178.9 | 0 | 0 | 0 | 111.6 | F86 A87 A92 T93 V94 | F86-L90 HydrophobicContact CD1-CD1 3.89Å; F86-L90 HydrophobicContact CD1-CG 4.38Å; F86-L90 HydrophobicContact CE1-CD1 3.4Å; F86-L90 VanDerWaalsContact CE1-CD1 3.4Å; F86-L90 HydrophobicContact CE1-CG 4.06Å; F86-L90 HydrophobicContact CZ-CD1 3.89Å; F86-L90 HydrophobicContact CZ-CD2 4.32Å; F86-L90 HydrophobicContact CZ-CG 4.18Å; F86-L90 WeakPolarHBondContact O-CG 3.37Å; F86-L90 PolarHBondContact O-N 3.33Å; A87-L90 PolarHBondContact O-N 2.99Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 2.89Å; L90-T93 WeakPolarHBondContact CA-OG1 3.34Å; L90-T93 PolarHBondContact O-N 2.65Å; L90-T93 PolarHBondContact O-OG1 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.42Å; L90-V94 PolarHBondContact O-N 2.97Å |
| 91 | L | 82.6 | Confident | 70.3 | Confident | 107 Ų | 107 | 96.9 Ų | 96.9 | 56% | 0.56 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.3 | -42.1 | 176.8 | -169.1 | 68.1 | 0 | 0 | 0 | 111.3 | A87 Y88 T93 V94 C95 | A87-L91 WeakPolarHBondContact O-CB 3.39Å; A87-L91 PolarHBondContact O-N 2.96Å; Y88-L91 PolarHBondContact O-N 3.47Å; L91-T93 PolarHBondContact O-N 3.2Å; L91-V94 PolarHBondContact O-N 2.82Å; L91-C95 WeakPolarHBondContact O-CB 3.28Å; L91-C95 PolarHBondContact O-N 3.01Å; L91-C95 PolarHBondContact O-SG 3.01Å |
| 92 | A | 76.3 | Confident | 68.8 | Low | 45 Ų | 45 | 100.1 Ų | 100.1 | 37% | 0.372 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.6 | -42.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y88 A89 L90 C95 Q96 | Y88-A92 WeakPolarHBondContact O-CB 3.27Å; Y88-A92 PolarHBondContact O-N 3.28Å; A89-A92 PolarHBondContact O-N 3.14Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 2.89Å; A92-C95 PolarHBondContact O-N 2.98Å; A92-Q96 WeakPolarHBondContact O-CG 3.38Å; A92-Q96 PolarHBondContact O-N 2.76Å |
| 93 | T | 73.2 | Confident | 67.1 | Low | 76 Ų | 76 | 102.1 Ų | 102.1 | 47% | 0.466 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.3 | -36.3 | 177.4 | 59.2 | 0 | 0 | 0 | 0 | 113 | A89 L90 L91 Q96 K97 | A89-T93 WeakPolarHBondContact O-CG2 3.29Å; A89-T93 PolarHBondContact O-N 2.9Å; A89-T93 PolarHBondContact O-OG1 2.67Å; L90-T93 WeakPolarHBondContact CA-OG1 3.34Å; L90-T93 PolarHBondContact O-N 2.65Å; L90-T93 PolarHBondContact O-OG1 3.28Å; L91-T93 PolarHBondContact O-N 3.2Å; T93-Q96 PolarHBondContact O-N 2.94Å; T93-K97 WeakPolarHBondContact O-CG 3.46Å; T93-K97 PolarHBondContact O-N 2.62Å |
| 94 | V | 68.2 | Low | 65.1 | Low | 74 Ų | 74 | 109 Ų | 109 | 45% | 0.448 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.5 | -40.8 | 175.1 | 174.2 | 0 | 0 | 0 | 0 | 111 | L90 L91 K97 K98 | L90-V94 WeakPolarHBondContact O-CG2 3.42Å; L90-V94 PolarHBondContact O-N 2.97Å; L91-V94 PolarHBondContact O-N 2.82Å; V94-K97 PolarHBondContact O-N 2.9Å; V94-K98 PolarHBondContact O-N 3.06Å |
| 95 | C | 59.9 | Low | 63 | Low | 66 Ų | 66 | 113.3 Ų | 113.3 | 45% | 0.446 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.5 | -42.3 | 173 | -73.2 | 0 | 0 | 0 | 0 | 111.1 | L91 A92 K97 K98 T99 | L91-C95 WeakPolarHBondContact O-CB 3.28Å; L91-C95 PolarHBondContact O-N 3.01Å; L91-C95 PolarHBondContact O-SG 3.01Å; A92-C95 PolarHBondContact O-N 2.98Å; C95-K97 VanDerWaalsContact C-N 3.32Å; C95-K97 PolarHBondContact O-N 2.7Å; C95-K98 CarbonylContact O-C 3.57Å; C95-K98 PolarHBondContact O-N 2.81Å; C95-K98 VanDerWaalsContact O-N 3.1Å; C95-T99 WeakPolarHBondContact O-CB 3.42Å; C95-T99 PolarHBondContact O-N 3.28Å; C95-T99 PolarHBondContact O-OG1 2.91Å |
| 96 | Q | 56.7 | Low | 61.3 | Low | 135 Ų | 135 | 115.4 Ų | 115.4 | 63% | 0.631 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.6 | -35.6 | 174.1 | -73.2 | -159.5 | 4.8 | 0 | 0 | 113.1 | A92 T93 K98 T99 A100 | A92-Q96 WeakPolarHBondContact O-CG 3.38Å; A92-Q96 PolarHBondContact O-N 2.76Å; T93-Q96 PolarHBondContact O-N 2.94Å; Q96-K98 VanDerWaalsContact C-N 3.28Å; Q96-K98 PolarHBondContact O-N 3.06Å; Q96-T99 PolarHBondContact O-N 2.76Å; Q96-A100 PolarHBondContact O-N 3.21Å |
| 97 | K | 54.9 | Low | 59.6 | Low | 184 Ų | 184 | 115.9 Ų | 115.9 | 80% | 0.8 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.9 | -22.8 | 173.8 | -75 | -175 | 178.6 | -175.3 | 0 | 113.9 | T93 V94 C95 | T93-K97 WeakPolarHBondContact O-CG 3.46Å; T93-K97 PolarHBondContact O-N 2.62Å; V94-K97 PolarHBondContact O-N 2.9Å; C95-K97 VanDerWaalsContact C-N 3.32Å; C95-K97 PolarHBondContact O-N 2.7Å |
| 98 | K | 53.2 | Low | 57.4 | Low | 181 Ų | 181 | 120.2 Ų | 120.2 | 79% | 0.787 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -93.5 | -14.1 | 173.8 | -70.8 | -170.4 | 177.2 | -174.2 | 0 | 113.6 | V94 C95 Q96 | V94-K98 PolarHBondContact O-N 3.06Å; C95-K98 CarbonylContact O-C 3.57Å; C95-K98 PolarHBondContact O-N 2.81Å; C95-K98 VanDerWaalsContact O-N 3.1Å; Q96-K98 VanDerWaalsContact C-N 3.28Å; Q96-K98 PolarHBondContact O-N 3.06Å |
| 99 | T | 51 | Low | 55.6 | Low | 116 Ų | 116 | 120.5 Ų | 120.5 | 71% | 0.712 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -129.2 | 15.9 | -170.8 | -29.3 | 0 | 0 | 0 | 0 | 114.2 | C95 Q96 | C95-T99 WeakPolarHBondContact O-CB 3.42Å; C95-T99 PolarHBondContact O-N 3.28Å; C95-T99 PolarHBondContact O-OG1 2.91Å; Q96-T99 PolarHBondContact O-N 2.76Å |
| 100 | A | 40 | Very low | 53.9 | Low | 65 Ų | 65 | 124.3 Ų | 124.3 | 54% | 0.537 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -144 | 131.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q96 | Q96-A100 PolarHBondContact O-N 3.21Š|
| 101 | P | 44.5 | Very low | 51.8 | Low | 120 Ų | 120 | 127.6 Ų | 127.6 | 78% | 0.779 | 69% | 0.688 | S | S | * | * | S | Bend | cis | -124 | 92.2 | 12.3 | 36.2 | -16.5 | 0 | 0 | 0 | 112.4 | A103 | P101-A103 VanDerWaalsContact C-N 3.3Š|
| 102 | V | 44.8 | Very low | 49.9 | Very low | 154 Ų | 154 | 131 Ų | 131 | 93% | 0.933 | 70% | 0.699 | S | S | * | * | trans | -101.5 | 58 | 158.6 | -171.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 103 | A | 45.4 | Very low | 48.4 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -147.9 | 105.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | P101 | P101-A103 VanDerWaalsContact C-N 3.3Š|
| 104 | R | 39.8 | Very low | 46.8 | Very low | 244 Ų | 244 | 136.2 Ų | 136.2 | 92% | 0.921 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 95.6 | 49.1 | -175.5 | -45 | -138.7 | -177.2 | -172.1 | 0.9 | 116.8 | ||
| 105 | M | 39.9 | Very low | 45.6 | Very low | 189 Ų | 189 | 137.7 Ų | 137.7 | 93% | 0.931 | 75% | 0.747 | S | S | * | * | trans | -144.1 | 68.4 | 149.9 | -83 | -161.1 | 179.2 | 0 | 0 | 109.3 | ||||
| 106 | T | 46 | Very low | 44.5 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | trans | -145.1 | 93.9 | 167.5 | 24.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 107 | E | 46.3 | Very low | 43.7 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | 58.7 | 76.5 | 107.1 | -97.1 | -163.4 | 144.7 | 0 | 0 | 112.4 | K109 | E107-K109 HydrophobicContact CG-CG 4.49Å; E107-K109 PolarHBondContact O-N 3.06Å; E107-K109 WeakPolarHBondContact OE1-CE 3.46Å | |||
| 108 | V | 36.6 | Very low | 43 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -73.9 | 91.3 | 139.4 | 178.9 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 109 | K | 45.3 | Very low | 42.3 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 61% | 0.613 | 78% | 0.776 | S | S | * | * | trans | -55.1 | 145.5 | 159.8 | -81.4 | 173.1 | 174.4 | 169.5 | 0 | 108.4 | E107 | E107-K109 HydrophobicContact CG-CG 4.49Å; E107-K109 PolarHBondContact O-N 3.06Å; E107-K109 WeakPolarHBondContact OE1-CE 3.46Å | ||
| 110 | T | 43.7 | Very low | 41.7 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 64 | 108.9 | 166.1 | 44.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 111 | E | 40.2 | Very low | 42 | Very low | 155 Ų | 155 | 151.6 Ų | 151.6 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | S | Bend | cis | -168.7 | 132.2 | 48.5 | -171.8 | -174.3 | 135.4 | 0 | 0 | 108.1 | ||
| 112 | K | 42.9 | Very low | 41.7 | Very low | 179 Ų | 179 | 154.3 Ų | 154.3 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 69.4 | 90.3 | 170.1 | -68.9 | 160.8 | -176.8 | 146.4 | 0 | 119 | ||
| 113 | A | 43.3 | Very low | 41.3 | Very low | 93 Ų | 93 | 153.9 Ų | 153.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 61.1 | 85.4 | 137 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 114 | T | 40.7 | Very low | 41.1 | Very low | 137 Ų | 137 | 158 Ų | 158 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | 32.2 | 142.1 | 128.5 | -30.2 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 115 | P | 42.5 | Very low | 41 | Very low | 105 Ų | 105 | 154.5 Ų | 154.5 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | cis | -134.8 | 149.7 | -26.5 | 36.5 | -17.9 | 0 | 0 | 0 | 117.2 | ||||
| 116 | L | 35.7 | Very low | 40.6 | Very low | 173 Ų | 173 | 150.7 Ų | 150.7 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | trans | 57.3 | 98.9 | 139.5 | -74.3 | 151.1 | 0 | 0 | 0 | 122.7 | ||||
| 117 | K | 41.7 | Very low | 40.5 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -128.2 | 137 | 149.6 | -85.3 | -173.7 | 174.7 | 179.5 | 0 | 106.4 | ||||
| 118 | Q | 39.9 | Very low | 40.3 | Very low | 168 Ų | 168 | 152 Ų | 152 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | 161.1 | 126.9 | 89.7 | -111.8 | 154 | -28.7 | 0 | 0 | 104.8 | |||||
| 119 | K | 38.8 | Very low | 40.7 | Very low | 176 Ų | 176 | 151.2 Ų | 151.2 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | 52.2 | 134.7 | 74.9 | -90.8 | -167.3 | 175 | -170.4 | 0 | 115.3 | |||||
| 120 | Q | 37.9 | Very low | 40.6 | Very low | 156 Ų | 156 | 152.3 Ų | 152.3 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | trans | 75.2 | 135.4 | 155.1 | -70.3 | 161.5 | -35.5 | 0 | 0 | 114.5 | ||||
| 121 | E | 45.5 | Very low | 40.4 | Very low | 176 Ų | 176 | 153.2 Ų | 153.2 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | cis | -164.8 | 131.2 | 27.6 | -102.9 | 147.8 | 120 | 0 | 0 | 104.3 | ||||
| 122 | E | 39.2 | Very low | 40.8 | Very low | 177 Ų | 177 | 153.2 Ų | 153.2 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | 41.9 | 118.8 | 69.4 | -144.8 | 171.1 | 164.1 | 0 | 0 | 117.3 | |||||
| 123 | E | 36.2 | Very low | 40.9 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | 95.7 | 132.4 | 150.8 | -128.2 | -172.2 | 111 | 0 | 0 | 121.3 | ||||
| 124 | K | 41.9 | Very low | 40.8 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 73% | 0.726 | 79% | 0.793 | S | S | * | * | trans | 79 | 139.8 | 163.4 | -55.6 | -176.1 | -174.7 | -175.8 | 0 | 116.5 | ||||
| 125 | Q | 36.4 | Very low | 41.1 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | cis | 179 | 126 | -3.7 | 176 | 168.4 | 0.8 | 0 | 0 | 104.4 | ||||
| 126 | S | 32.1 | Very low | 41.6 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 11.5 | 168.3 | 152.7 | -143.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 127 | P | 44.2 | Very low | 42.4 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | -130.8 | 153.3 | -68.4 | 39.2 | -23.4 | 0 | 0 | 0 | 112.1 | |||||
| 128 | E | 42.7 | Very low | 42.8 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | trans | -158.8 | 138.3 | 152.7 | -133 | 170.9 | 128.9 | 0 | 0 | 112.3 | ||||
| 129 | T | 43.7 | Very low | 43.3 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -65.1 | 135 | 177.4 | 16.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 130 | D | 44.4 | Very low | 43.7 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -150 | 131.1 | 149.8 | -94.2 | -38.9 | 0 | 0 | 0 | 111 | ||||
| 131 | D | 37.9 | Very low | 44.1 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -62.1 | 121.7 | 179.8 | -72.4 | -59.7 | 0 | 0 | 0 | 112.8 | ||||
| 132 | I | 49.7 | Very low | 44.5 | Very low | 156 Ų | 156 | 139 Ų | 139 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | -141.4 | 91.2 | 152.2 | -51.5 | 178.5 | 0 | 0 | 0 | 110.3 | C134 | I132-C134 PolarHBondContact O-N 3.21Š| ||
| 133 | T | 44.9 | Very low | 45.1 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -45.4 | 114 | 151 | -51.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 134 | C | 40 | Very low | 45.7 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | trans | -131.6 | 83.4 | 167.9 | -141.6 | 0 | 0 | 0 | 0 | 111.2 | I132 | I132-C134 PolarHBondContact O-N 3.21Š| ||
| 135 | S | 46.9 | Very low | 46 | Very low | 89 Ų | 89 | 135 Ų | 135 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | trans | 25.1 | 115.2 | 141.3 | -151.6 | 0 | 0 | 0 | 0 | 119.2 | A137 | S135-A137 PolarHBondContact O-N 3.14Š| ||
| 136 | T | 55 | Low | 46.6 | Very low | 135 Ų | 135 | 131 Ų | 131 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 32 | 168.3 | 39.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 137 | A | 52.2 | Low | 47.2 | Very low | 64 Ų | 64 | 130 Ų | 130 | 53% | 0.529 | 76% | 0.756 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.9 | -17.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S135 | S135-A137 PolarHBondContact O-N 3.14Š|
| 138 | E | 49.9 | Very low | 47.6 | Very low | 168 Ų | 168 | 130 Ų | 130 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -92.3 | -11.9 | -174.6 | -64.2 | -156.9 | 137 | 0 | 0 | 115 | Y140 | E138-Y140 VanDerWaalsContact C-N 3.34Å; E138-Y140 PolarHBondContact O-N 3.01Å |
| 139 | L | 50.2 | Low | 48 | Very low | 153 Ų | 153 | 127 Ų | 127 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -11.1 | 179.5 | -77.5 | 163.4 | 0 | 0 | 0 | 114.3 | ||
| 140 | Y | 47.8 | Very low | 48 | Very low | 185 Ų | 185 | 130.1 Ų | 130.1 | 73% | 0.725 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -14.9 | 173.9 | -90.7 | -87.4 | 0 | 0 | 0 | 114 | E138 | E138-Y140 VanDerWaalsContact C-N 3.34Å; E138-Y140 PolarHBondContact O-N 3.01Å |
| 141 | S | 45.9 | Very low | 47.9 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -27.4 | 179.9 | -168.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 142 | S | 52.9 | Low | 48.4 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -4.3 | 178.5 | -45 | 0 | 0 | 0 | 0 | 114.5 | ||
| 143 | A | 52.3 | Low | 48.4 | Very low | 69 Ų | 69 | 133.3 Ų | 133.3 | 57% | 0.57 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -96.4 | -6.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 144 | Q | 48.6 | Very low | 48.6 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -103.4 | -6.9 | 179.3 | -71.3 | -164.7 | 0.1 | 0 | 0 | 114.9 | ||
| 145 | L | 49.2 | Very low | 49.1 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -95.1 | 6.5 | 177.7 | -142 | 81.8 | 0 | 0 | 0 | 114.2 | ||
| 146 | A | 48.3 | Very low | 49.2 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -104 | 58 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 147 | A | 43.6 | Very low | 48.8 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 135.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 148 | P | 53.4 | Low | 48.6 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 158 | -166.6 | 29.6 | -36.3 | 0 | 0 | 0 | 113 | Q150 | P148-Q150 PolarHBondContact O-N 2.96Š|
| 149 | P | 51.4 | Low | 48.5 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 119.2 | 173.4 | 28.4 | -31.6 | 0 | 0 | 0 | 109.4 | ||
| 150 | Q | 43.4 | Very low | 48.3 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 122.3 | 163.1 | -83.7 | -169.7 | -41.7 | 0 | 0 | 108.7 | P148 | P148-Q150 PolarHBondContact O-N 2.96Š|
| 151 | E | 43.1 | Very low | 48.4 | Very low | 269 Ų | 269 | 134.6 Ų | 134.6 | 100% | 1.257 | 80% | 0.799 | S | S | * | * | trans | -63.3 | 0 | 149.2 | -85.5 | -174.6 | 117.9 | 0 | 0 | 111.1 |
Retrieved 151 of 151 residues in 32.2 ms
(Link to these results)