| 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 | 67.6 | Low | 86.5 | Confident | 190 Ų | 190 | 118.8 Ų | 118.8 | 94% | 0.936 | 62% | 0.623 | S | S | * | * | 0 | -52.7 | 0 | -55.1 | -41.8 | -158.6 | 0 | 0 | 113.7 | I3 L4 V5 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.32Å; M1-L4 PolarHBondContact O-N 3.29Å; M1-V5 PolarHBondContact O-N 3.31Å | |||
| 2 | K | 81.8 | Confident | 86.5 | Confident | 185 Ų | 185 | 117.6 Ų | 117.6 | 80% | 0.804 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.9 | -34.3 | -175.2 | -63.2 | 178.4 | 178.6 | -179 | 0 | 115 | V5 A6 | K2-V5 PolarHBondContact O-N 3.34Å; K2-A6 PolarHBondContact O-N 2.95Å |
| 3 | I | 88.6 | Confident | 86.6 | Confident | 131 Ų | 131 | 115.3 Ų | 115.3 | 67% | 0.672 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.1 | -40.2 | 179.6 | -61.9 | 160.6 | 0 | 0 | 0 | 111.3 | M1 V5 A6 L7 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.32Å; I3-V5 VanDerWaalsContact C-N 3.32Å; I3-V5 PolarHBondContact O-N 3.35Å; I3-A6 PolarHBondContact O-N 3.49Å; I3-L7 HydrophobicContact CG2-CD1 4.23Å; I3-L7 WeakPolarHBondContact O-CG 3.47Å; I3-L7 PolarHBondContact O-N 2.96Å |
| 4 | L | 89.3 | Confident | 86.3 | Confident | 120 Ų | 120 | 110.5 Ų | 110.5 | 63% | 0.628 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.4 | -38.7 | 176.3 | -66.2 | 174.2 | 0 | 0 | 0 | 111.4 | M1 L7 A8 | M1-L4 PolarHBondContact O-N 3.29Å; L4-L7 PolarHBondContact O-N 3.47Å; L4-A8 WeakPolarHBondContact O-CB 3.32Å; L4-A8 PolarHBondContact O-N 2.96Å |
| 5 | V | 86.1 | Confident | 85.7 | Confident | 94 Ų | 94 | 107.8 Ų | 107.8 | 57% | 0.57 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.9 | -44 | 175.9 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | M1 K2 I3 L7 A8 V9 | M1-V5 PolarHBondContact O-N 3.31Å; K2-V5 PolarHBondContact O-N 3.34Å; I3-V5 VanDerWaalsContact C-N 3.32Å; I3-V5 PolarHBondContact O-N 3.35Å; V5-L7 VanDerWaalsContact C-N 3.35Å; V5-L7 PolarHBondContact O-N 2.98Å; V5-A8 PolarHBondContact O-N 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.37Å; V5-V9 PolarHBondContact O-N 3.36Å |
| 6 | A | 90.5 | Very high | 85.2 | Confident | 61 Ų | 61 | 109.1 Ų | 109.1 | 50% | 0.504 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.7 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K2 I3 V9 F10 | K2-A6 PolarHBondContact O-N 2.95Å; I3-A6 PolarHBondContact O-N 3.49Å; A6-V9 PolarHBondContact O-N 2.96Å; A6-F10 WeakPolarHBondContact O-CB 3.4Å; A6-F10 PolarHBondContact O-N 3.47Å |
| 7 | L | 89.7 | Confident | 84.5 | Confident | 99 Ų | 99 | 110.2 Ų | 110.2 | 52% | 0.518 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -41.6 | 175 | -76.1 | 171 | 0 | 0 | 0 | 112.2 | I3 L4 V5 F10 F11 | I3-L7 HydrophobicContact CG2-CD1 4.23Å; I3-L7 WeakPolarHBondContact O-CG 3.47Å; I3-L7 PolarHBondContact O-N 2.96Å; L4-L7 PolarHBondContact O-N 3.47Å; V5-L7 VanDerWaalsContact C-N 3.35Å; V5-L7 PolarHBondContact O-N 2.98Å; L7-F10 PolarHBondContact O-N 2.98Å; L7-F11 WeakPolarHBondContact O-CB 3.41Å; L7-F11 PolarHBondContact O-N 3.44Å |
| 8 | A | 89.1 | Confident | 83.4 | Confident | 53 Ų | 53 | 110.7 Ų | 110.7 | 44% | 0.438 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.3 | -41.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L4 V5 F11 L12 | L4-A8 WeakPolarHBondContact O-CB 3.32Å; L4-A8 PolarHBondContact O-N 2.96Å; V5-A8 PolarHBondContact O-N 3.29Å; A8-F11 PolarHBondContact O-N 3.47Å; A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 2.91Å |
| 9 | V | 91.1 | Very high | 82.4 | Confident | 83 Ų | 83 | 107.9 Ų | 107.9 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.9 | -42 | 175.9 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | V5 A6 L12 V13 | V5-V9 WeakPolarHBondContact O-CG2 3.37Å; V5-V9 PolarHBondContact O-N 3.36Å; A6-V9 PolarHBondContact O-N 2.96Å; V9-L12 PolarHBondContact O-N 3.06Å; V9-V13 WeakPolarHBondContact O-CG2 3.4Å; V9-V13 PolarHBondContact O-N 2.75Å |
| 10 | F | 90.8 | Very high | 81.3 | Confident | 143 Ų | 143 | 110.1 Ų | 110.1 | 63% | 0.627 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.2 | -48.2 | 175.5 | -174.9 | -98.8 | 0 | 0 | 0 | 111.3 | A6 L7 L12 V13 S14 | A6-F10 WeakPolarHBondContact O-CB 3.4Å; A6-F10 PolarHBondContact O-N 3.47Å; L7-F10 PolarHBondContact O-N 2.98Å; F10-L12 VanDerWaalsContact C-N 3.34Å; F10-L12 PolarHBondContact O-N 3.13Å; F10-V13 PolarHBondContact O-N 3.39Å; F10-S14 PolarHBondContact O-N 3.5Å; F10-S14 PolarHBondContact O-OG 2.92Å |
| 11 | F | 87.3 | Confident | 80.3 | Confident | 148 Ų | 148 | 112.2 Ų | 112.2 | 65% | 0.649 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.1 | -43.4 | 177.5 | -124.7 | -87.9 | 0 | 0 | 0 | 112.2 | L7 A8 V13 S14 T15 | L7-F11 WeakPolarHBondContact O-CB 3.41Å; L7-F11 PolarHBondContact O-N 3.44Å; A8-F11 PolarHBondContact O-N 3.47Å; F11-V13 PolarHBondContact O-N 2.85Å; F11-S14 PolarHBondContact O-N 3.27Å; F11-T15 HydrophobicContact CD1-CG2 4.22Å; F11-T15 VanDerWaalsContact O-CG2 3.26Å; F11-T15 WeakPolarHBondContact O-CG2 3.4Å; F11-T15 PolarHBondContact O-N 3.35Å; F11-T15 PolarHBondContact O-OG1 3.11Å; F11-T15 VanDerWaalsContact O-OG1 3.13Å |
| 12 | L | 86.9 | Confident | 79.8 | Confident | 104 Ų | 104 | 109.5 Ų | 109.5 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60 | -46.5 | 177.4 | -91.3 | 160.9 | 0 | 0 | 0 | 112.2 | A8 V9 F10 T15 Q16 | A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 2.91Å; V9-L12 PolarHBondContact O-N 3.06Å; F10-L12 VanDerWaalsContact C-N 3.34Å; F10-L12 PolarHBondContact O-N 3.13Å; L12-T15 WeakPolarHBondContact CA-OG1 3.42Å; L12-T15 PolarHBondContact O-N 2.91Å; L12-T15 PolarHBondContact O-OG1 3.07Å; L12-Q16 WeakPolarHBondContact O-CG 3.4Å; L12-Q16 PolarHBondContact O-N 3.5Å; L12-Q16 VanDerWaalsContact O-N 3.07Å |
| 13 | V | 87.4 | Confident | 78.4 | Confident | 88 Ų | 88 | 102.2 Ų | 102.2 | 53% | 0.533 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -41 | 178 | 175.7 | 0 | 0 | 0 | 0 | 111 | V9 F10 F11 T15 Q16 L17 | V9-V13 WeakPolarHBondContact O-CG2 3.4Å; V9-V13 PolarHBondContact O-N 2.75Å; F10-V13 PolarHBondContact O-N 3.39Å; F11-V13 PolarHBondContact O-N 2.85Å; V13-T15 PolarHBondContact O-N 3.44Å; V13-Q16 PolarHBondContact O-N 3.34Å; V13-L17 PolarHBondContact O-N 3.03Å; V13-L17 VanDerWaalsContact O-N 3.11Å |
| 14 | S | 82.9 | Confident | 76.7 | Confident | 48 Ų | 48 | 98.8 Ų | 98.8 | 34% | 0.336 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 175.6 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | F10 F11 Q16 L17 F18 | F10-S14 PolarHBondContact O-N 3.5Å; F10-S14 PolarHBondContact O-OG 2.92Å; F11-S14 PolarHBondContact O-N 3.27Å; S14-Q16 VanDerWaalsContact C-N 3.35Å; S14-Q16 PolarHBondContact O-N 3.35Å; S14-L17 PolarHBondContact O-N 2.98Å; S14-F18 WeakPolarHBondContact O-CB 3.26Å; S14-F18 PolarHBondContact O-N 3.32Å |
| 15 | T | 77.3 | Confident | 75.2 | Confident | 70 Ų | 70 | 98.7 Ų | 98.7 | 43% | 0.429 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.2 | -34.1 | 177.8 | 54 | 0 | 0 | 0 | 0 | 112.7 | F11 L12 V13 A19 | F11-T15 HydrophobicContact CD1-CG2 4.22Å; F11-T15 VanDerWaalsContact O-CG2 3.26Å; F11-T15 WeakPolarHBondContact O-CG2 3.4Å; F11-T15 PolarHBondContact O-N 3.35Å; F11-T15 PolarHBondContact O-OG1 3.11Å; F11-T15 VanDerWaalsContact O-OG1 3.13Å; L12-T15 WeakPolarHBondContact CA-OG1 3.42Å; L12-T15 PolarHBondContact O-N 2.91Å; L12-T15 PolarHBondContact O-OG1 3.07Å; V13-T15 PolarHBondContact O-N 3.44Å; T15-A19 WeakPolarHBondContact O-CB 3.47Å; T15-A19 PolarHBondContact O-N 3.43Å |
| 16 | Q | 76.4 | Confident | 73.8 | Confident | 129 Ų | 129 | 100.1 Ų | 100.1 | 60% | 0.603 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.4 | -44.3 | 175.6 | -73.5 | 177 | -4.2 | 0 | 0 | 111.5 | L12 V13 S14 F18 A19 E20 | L12-Q16 WeakPolarHBondContact O-CG 3.4Å; L12-Q16 PolarHBondContact O-N 3.5Å; L12-Q16 VanDerWaalsContact O-N 3.07Å; V13-Q16 PolarHBondContact O-N 3.34Å; S14-Q16 VanDerWaalsContact C-N 3.35Å; S14-Q16 PolarHBondContact O-N 3.35Å; Q16-F18 VanDerWaalsContact C-N 3.29Å; Q16-F18 PolarHBondContact O-N 3.12Å; Q16-A19 PolarHBondContact O-N 3.22Å; Q16-E20 WeakPolarHBondContact O-CB 3.2Å; Q16-E20 PolarHBondContact O-N 3.49Å |
| 17 | L | 74.2 | Confident | 72.2 | Confident | 128 Ų | 128 | 102.4 Ų | 102.4 | 67% | 0.67 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.1 | -39.4 | 176.5 | -163.8 | 80.5 | 0 | 0 | 0 | 111.7 | V13 S14 E21 | V13-L17 PolarHBondContact O-N 3.03Å; V13-L17 VanDerWaalsContact O-N 3.11Å; S14-L17 PolarHBondContact O-N 2.98Å; L17-E21 PolarHBondContact O-N 3.43Å |
| 18 | F | 64.3 | Low | 70.8 | Confident | 119 Ų | 119 | 103.9 Ų | 103.9 | 52% | 0.522 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -77.6 | -33.7 | 179.4 | -151.4 | -98.6 | 0 | 0 | 0 | 113 | S14 Q16 E20 E21 M22 | S14-F18 WeakPolarHBondContact O-CB 3.26Å; S14-F18 PolarHBondContact O-N 3.32Å; Q16-F18 VanDerWaalsContact C-N 3.29Å; Q16-F18 PolarHBondContact O-N 3.12Å; F18-E20 VanDerWaalsContact C-N 3.34Å; F18-E21 PolarHBondContact O-N 2.84Å; F18-M22 HydrophobicContact CD1-CE 4.48Å; F18-M22 HydrophobicContact CD1-CG 4.49Å; F18-M22 HydrophobicContact CD1-SD 3.98Å; F18-M22 HydrophobicContact CE1-CE 3.55Å; F18-M22 HydrophobicContact CE1-CG 4.38Å; F18-M22 HydrophobicContact CE1-SD 3.6Å; F18-M22 VanDerWaalsContact CE1-SD 3.6Å; F18-M22 HydrophobicContact CZ-CE 4.05Å; F18-M22 PolarHBondContact O-N 3.46Å; F18-M22 VanDerWaalsContact O-N 3.12Å |
| 19 | A | 63.8 | Low | 69.5 | Low | 58 Ų | 58 | 106.2 Ų | 106.2 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.4 | -30.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T15 Q16 E21 M22 G23 | T15-A19 WeakPolarHBondContact O-CB 3.47Å; T15-A19 PolarHBondContact O-N 3.43Å; Q16-A19 PolarHBondContact O-N 3.22Å; A19-E21 VanDerWaalsContact C-N 3.31Å; A19-M22 PolarHBondContact O-N 2.88Å; A19-G23 WeakPolarHBondContact O-CA 3.04Å; A19-G23 PolarHBondContact O-N 3.38Å |
| 20 | E | 61.5 | Low | 68 | Low | 151 Ų | 151 | 109.3 Ų | 109.3 | 71% | 0.706 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.8 | -33.2 | 172.9 | -166.5 | 170 | -175.4 | 0 | 0 | 111.6 | Q16 F18 | Q16-E20 WeakPolarHBondContact O-CB 3.2Å; Q16-E20 PolarHBondContact O-N 3.49Å; F18-E20 VanDerWaalsContact C-N 3.34Å |
| 21 | E | 59.3 | Low | 66.5 | Low | 155 Ų | 155 | 112.2 Ų | 112.2 | 72% | 0.724 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -75.3 | -30.3 | 176 | -162.1 | 172.9 | -175.7 | 0 | 0 | 113 | L17 F18 A19 | L17-E21 PolarHBondContact O-N 3.43Å; F18-E21 PolarHBondContact O-N 2.84Å; A19-E21 VanDerWaalsContact C-N 3.31Å |
| 22 | M | 56.7 | Low | 65.3 | Low | 133 Ų | 133 | 107.8 Ų | 107.8 | 66% | 0.655 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -99.8 | -28.8 | -178.9 | -75.6 | -170.2 | 161.8 | 0 | 0 | 115.8 | F18 A19 | F18-M22 HydrophobicContact CD1-CE 4.48Å; F18-M22 HydrophobicContact CD1-CG 4.49Å; F18-M22 HydrophobicContact CD1-SD 3.98Å; F18-M22 HydrophobicContact CE1-CE 3.55Å; F18-M22 HydrophobicContact CE1-CG 4.38Å; F18-M22 HydrophobicContact CE1-SD 3.6Å; F18-M22 VanDerWaalsContact CE1-SD 3.6Å; F18-M22 HydrophobicContact CZ-CE 4.05Å; F18-M22 PolarHBondContact O-N 3.46Å; F18-M22 VanDerWaalsContact O-N 3.12Å; A19-M22 PolarHBondContact O-N 2.88Å |
| 23 | G | 52.4 | Low | 64.2 | Low | 32 Ų | 32 | 108.7 Ų | 108.7 | 33% | 0.33 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -100.2 | -11.3 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | A19 | A19-G23 WeakPolarHBondContact O-CA 3.04Å; A19-G23 PolarHBondContact O-N 3.38Å |
| 24 | A | 54.9 | Low | 62.9 | Low | 59 Ų | 59 | 112.9 Ų | 112.9 | 49% | 0.488 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.1 | -24.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 25 | N | 56.2 | Low | 61.8 | Low | 117 Ų | 117 | 114.8 Ų | 114.8 | 63% | 0.626 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -35.6 | -168.9 | -69 | -60.7 | 0 | 0 | 0 | 114.6 | N29 | N25-N29 PolarHBondContact O-ND2 3.35Š|
| 26 | D | 58 | Low | 60.8 | Low | 124 Ų | 124 | 116.2 Ų | 116.2 | 66% | 0.663 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -92.6 | -41.8 | -173.5 | -78.5 | -9 | 0 | 0 | 0 | 113.2 | L28 N29 Y30 | D26-L28 PolarHBondContact O-N 3.49Å; D26-N29 PolarHBondContact O-N 3.4Å; D26-Y30 WeakPolarHBondContact O-CB 3.36Å; D26-Y30 PolarHBondContact O-N 3.12Å |
| 27 | D | 57.3 | Low | 59.9 | Low | 109 Ų | 109 | 111.3 Ų | 111.3 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.3 | -33.9 | -178.7 | -80.8 | -10.9 | 0 | 0 | 0 | 112.6 | N29 W31 | D27-N29 VanDerWaalsContact C-N 3.34Å; D27-W31 PolarHBondContact O-N 3.33Å |
| 28 | L | 60.3 | Low | 59.1 | Low | 130 Ų | 130 | 109.8 Ų | 109.8 | 68% | 0.681 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68 | -36.5 | 177 | -128.9 | 96.9 | 0 | 0 | 0 | 111.6 | D26 S32 | D26-L28 PolarHBondContact O-N 3.49Å; L28-S32 PolarHBondContact O-N 2.78Å; L28-S32 PolarHBondContact O-OG 3.46Å |
| 29 | N | 61.4 | Low | 58.6 | Low | 102 Ų | 102 | 111.1 Ų | 111.1 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -77.4 | -33.6 | 178.6 | -78.2 | -37.3 | 0 | 0 | 0 | 112.6 | N25 D26 D27 W31 S32 D33 | N25-N29 PolarHBondContact O-ND2 3.35Å; D26-N29 PolarHBondContact O-N 3.4Å; D27-N29 VanDerWaalsContact C-N 3.34Å; N29-W31 PolarHBondContact O-N 3.05Å; N29-S32 VanDerWaalsContact CA-OG 3.27Å; N29-S32 WeakPolarHBondContact CA-OG 3.46Å; N29-S32 PolarHBondContact O-N 2.95Å; N29-S32 PolarHBondContact O-OG 2.93Å; N29-S32 VanDerWaalsContact O-OG 3.05Å; N29-D33 WeakPolarHBondContact O-CB 3.1Å; N29-D33 PolarHBondContact O-N 3.34Å |
| 30 | Y | 58.3 | Low | 58.2 | Low | 149 Ų | 149 | 113.9 Ų | 113.9 | 58% | 0.584 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.4 | -40.2 | 176.3 | -176.7 | -101.5 | 0 | 0 | 0 | 112.7 | D26 W34 | D26-Y30 WeakPolarHBondContact O-CB 3.36Å; D26-Y30 PolarHBondContact O-N 3.12Å; Y30-W34 PolarHBondContact O-N 3.47Å |
| 31 | W | 59.2 | Low | 57.8 | Low | 203 Ų | 203 | 112.6 Ų | 112.6 | 77% | 0.769 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -75.9 | -32.6 | 178.7 | -84.8 | 74.3 | 0 | 0 | 0 | 113.5 | D27 N29 S35 | D27-W31 PolarHBondContact O-N 3.33Å; N29-W31 PolarHBondContact O-N 3.05Å; W31-S35 PolarHBondContact O-N 2.79Å |
| 32 | S | 62.6 | Low | 57.7 | Low | 56 Ų | 56 | 113.9 Ų | 113.9 | 39% | 0.392 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -73.1 | -35.7 | 176 | 44.6 | 0 | 0 | 0 | 0 | 112.3 | L28 N29 W34 S35 D36 | L28-S32 PolarHBondContact O-N 2.78Å; L28-S32 PolarHBondContact O-OG 3.46Å; N29-S32 VanDerWaalsContact CA-OG 3.27Å; N29-S32 WeakPolarHBondContact CA-OG 3.46Å; N29-S32 PolarHBondContact O-N 2.95Å; N29-S32 PolarHBondContact O-OG 2.93Å; N29-S32 VanDerWaalsContact O-OG 3.05Å; S32-W34 VanDerWaalsContact C-N 3.32Å; S32-W34 PolarHBondContact O-N 3.4Å; S32-S35 WeakPolarHBondContact O-CB 3.43Å; S32-S35 PolarHBondContact O-N 3.13Å; S32-S35 PolarHBondContact O-OG 3.37Å; S32-D36 PolarHBondContact O-N 3.16Å |
| 33 | D | 63.6 | Low | 57.6 | Low | 122 Ų | 122 | 116 Ų | 116 | 65% | 0.652 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.2 | -35 | 173.9 | -161.2 | 46.7 | 0 | 0 | 0 | 111.8 | N29 S35 D36 | N29-D33 WeakPolarHBondContact O-CB 3.1Å; N29-D33 PolarHBondContact O-N 3.34Å; D33-S35 VanDerWaalsContact C-N 3.29Å; D33-S35 PolarHBondContact O-N 3.16Å; D33-D36 PolarHBondContact O-N 3.46Å |
| 34 | W | 61.3 | Low | 57.9 | Low | 176 Ų | 176 | 117.4 Ų | 117.4 | 67% | 0.667 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.2 | -31.8 | 170.3 | -162.1 | -69 | 0 | 0 | 0 | 112.5 | Y30 S32 D36 S37 | Y30-W34 PolarHBondContact O-N 3.47Å; S32-W34 VanDerWaalsContact C-N 3.32Å; S32-W34 PolarHBondContact O-N 3.4Å; W34-D36 VanDerWaalsContact C-N 3.29Å; W34-D36 PolarHBondContact O-N 2.94Å; W34-S37 WeakPolarHBondContact O-CB 3.46Å; W34-S37 PolarHBondContact O-N 3.45Å; W34-S37 PolarHBondContact O-OG 3.24Å |
| 35 | S | 59.4 | Low | 58.2 | Low | 88 Ų | 88 | 118.1 Ų | 118.1 | 62% | 0.615 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.5 | -24.2 | 178.3 | 87.3 | 0 | 0 | 0 | 0 | 112.8 | W31 S32 D33 S37 | W31-S35 PolarHBondContact O-N 2.79Å; S32-S35 WeakPolarHBondContact O-CB 3.43Å; S32-S35 PolarHBondContact O-N 3.13Å; S32-S35 PolarHBondContact O-OG 3.37Å; D33-S35 VanDerWaalsContact C-N 3.29Å; D33-S35 PolarHBondContact O-N 3.16Å; S35-S37 PolarHBondContact O-N 2.87Å |
| 36 | D | 56 | Low | 58.4 | Low | 100 Ų | 100 | 119.6 Ų | 119.6 | 54% | 0.535 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.8 | 12 | 174.6 | -144.5 | 23.5 | 0 | 0 | 0 | 112.7 | S32 D33 W34 D38 Q39 | S32-D36 PolarHBondContact O-N 3.16Å; D33-D36 PolarHBondContact O-N 3.46Å; W34-D36 VanDerWaalsContact C-N 3.29Å; W34-D36 PolarHBondContact O-N 2.94Å; D36-D38 PolarHBondContact O-N 3.49Å; D36-Q39 PolarHBondContact O-N 3.39Å |
| 37 | S | 57.7 | Low | 58.5 | Low | 26 Ų | 26 | 118 Ų | 118 | 18% | 0.182 | 59% | 0.586 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -59.7 | 11.5 | 171.6 | 56.8 | 0 | 0 | 0 | 0 | 115.3 | W34 S35 Q39 I40 K41 | W34-S37 WeakPolarHBondContact O-CB 3.46Å; W34-S37 PolarHBondContact O-N 3.45Å; W34-S37 PolarHBondContact O-OG 3.24Å; S35-S37 PolarHBondContact O-N 2.87Å; S37-Q39 PolarHBondContact O-N 2.9Å; S37-I40 WeakPolarHBondContact O-CB 3.13Å; S37-I40 PolarHBondContact O-N 3.39Å; S37-I40 VanDerWaalsContact O-N 3.11Å; S37-K41 WeakPolarHBondContact O-CG 3.03Å; S37-K41 PolarHBondContact O-N 2.77Å; S37-K41 VanDerWaalsContact O-N 3.14Å |
| 38 | D | 57.1 | Low | 58.9 | Low | 97 Ų | 97 | 117.8 Ų | 117.8 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.2 | -29.9 | 164.9 | -75.1 | -18.4 | 0 | 0 | 0 | 111.4 | D36 K41 | D36-D38 PolarHBondContact O-N 3.49Å; D38-K41 PolarHBondContact O-N 2.82Å; D38-K41 IonicContact OD1-NZ 2.87Å; D38-K41 PolarHBondContact OD1-NZ 3.32Å |
| 39 | Q | 54.4 | Low | 59.2 | Low | 147 Ų | 147 | 116.8 Ų | 116.8 | 69% | 0.687 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.6 | -33.8 | 168.7 | -79.2 | 179.5 | 21.2 | 0 | 0 | 113 | D36 S37 K41 E42 | D36-Q39 PolarHBondContact O-N 3.39Å; S37-Q39 PolarHBondContact O-N 2.9Å; Q39-K41 VanDerWaalsContact C-N 3.27Å; Q39-K41 PolarHBondContact O-N 3.49Å; Q39-E42 PolarHBondContact O-N 2.81Å |
| 40 | I | 53.8 | Low | 59.4 | Low | 115 Ų | 115 | 117.3 Ų | 117.3 | 59% | 0.59 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.6 | -25.8 | 178.5 | -62.6 | 171.7 | 0 | 0 | 0 | 111 | S37 L44 | S37-I40 WeakPolarHBondContact O-CB 3.13Å; S37-I40 PolarHBondContact O-N 3.39Å; S37-I40 VanDerWaalsContact O-N 3.11Å; I40-L44 PolarHBondContact O-N 2.84Å |
| 41 | K | 54.2 | Low | 59.9 | Low | 125 Ų | 125 | 114 Ų | 114 | 54% | 0.543 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -72.2 | -30.1 | 174.4 | -67.7 | 172.9 | -166.6 | 158.7 | 0 | 112.6 | S37 D38 Q39 | S37-K41 WeakPolarHBondContact O-CG 3.03Å; S37-K41 PolarHBondContact O-N 2.77Å; S37-K41 VanDerWaalsContact O-N 3.14Å; D38-K41 PolarHBondContact O-N 2.82Å; D38-K41 IonicContact OD1-NZ 2.87Å; D38-K41 PolarHBondContact OD1-NZ 3.32Å; Q39-K41 VanDerWaalsContact C-N 3.27Å; Q39-K41 PolarHBondContact O-N 3.49Å |
| 42 | E | 56.3 | Low | 60.5 | Low | 181 Ų | 181 | 108.4 Ų | 108.4 | 85% | 0.846 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -74.6 | -23.4 | 179.2 | -75.7 | -171.4 | 159.5 | 0 | 0 | 113.6 | Q39 | Q39-E42 PolarHBondContact O-N 2.81Å |
| 43 | E | 56.1 | Low | 60.9 | Low | 179 Ų | 179 | 110 Ų | 110 | 84% | 0.836 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -101.7 | -0.1 | -179.4 | -117.4 | -173.9 | -175.3 | 0 | 0 | 114.1 | P45 | E43-P45 WeakPolarHBondContact O-CD 3.25Š|
| 44 | L | 58.3 | Low | 61.1 | Low | 60 Ų | 60 | 113.6 Ų | 113.6 | 31% | 0.314 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -72.7 | 118.8 | -178.1 | -159.2 | 70.5 | 0 | 0 | 0 | 108.8 | I40 E46 F48 L52 | I40-L44 PolarHBondContact O-N 2.84Å; L44-E46 PolarHBondContact O-N 2.96Å; L44-F48 HydrophobicContact CD1-CB 4.21Å; L44-F48 HydrophobicContact CD1-CG 4.39Å; L44-F48 HydrophobicContact CD2-CB 3.68Å; L44-F48 HydrophobicContact CD2-CG 4.43Å; L44-F48 HydrophobicContact CG-CB 3.65Å; L44-F48 HydrophobicContact CG-CG 4.35Å; L44-L52 HydrophobicContact CD2-CD1 3.97Å |
| 45 | P | 60.8 | Low | 61.3 | Low | 74 Ų | 74 | 110.6 Ų | 110.6 | 48% | 0.481 | 55% | 0.549 | S | S | . | . | trans | -59.2 | 131 | -175.3 | 22 | -31.6 | 0 | 0 | 0 | 109.4 | E43 P47 F48 | E43-P45 WeakPolarHBondContact O-CD 3.25Å; P45-P47 HydrophobicContact CB-CG 3.9Å; P45-P47 HydrophobicContact CG-CG 4.37Å; P45-P47 WeakPolarHBondContact O-CD 3.46Å; P45-P47 WeakPolarHBondContact O-CG 3.45Å; P45-F48 PolarHBondContact O-N 2.79Å | ||
| 46 | E | 59.2 | Low | 61.8 | Low | 149 Ų | 149 | 110.3 Ų | 110.3 | 70% | 0.696 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -28 | -41.4 | 175.6 | -73.6 | -177.2 | 155.7 | 0 | 0 | 116.4 | L44 F48 E49 H50 | L44-E46 PolarHBondContact O-N 2.96Å; E46-F48 VanDerWaalsContact C-N 3.27Å; E46-F48 PolarHBondContact O-N 3.33Å; E46-E49 PolarHBondContact O-N 2.77Å; E46-H50 PolarHBondContact O-CD2 3.32Å; E46-H50 VanDerWaalsContact O-CD2 3.3Å; E46-H50 PolarHBondContact O-N 3.29Å |
| 47 | P | 62.1 | Low | 62.2 | Low | 90 Ų | 90 | 113.8 Ų | 113.8 | 58% | 0.584 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -54.9 | -35.1 | 173.8 | 19.7 | -36.8 | 0 | 0 | 0 | 115.5 | P45 L51 | P45-P47 HydrophobicContact CB-CG 3.9Å; P45-P47 HydrophobicContact CG-CG 4.37Å; P45-P47 WeakPolarHBondContact O-CD 3.46Å; P45-P47 WeakPolarHBondContact O-CG 3.45Å; P47-L51 WeakPolarHBondContact O-CB 3.19Å; P47-L51 PolarHBondContact O-N 3.26Å; P47-L51 VanDerWaalsContact O-N 3.07Å |
| 48 | F | 63.8 | Low | 62.2 | Low | 105 Ų | 105 | 123.3 Ų | 123.3 | 46% | 0.461 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -76.2 | -34.8 | -177.2 | -107.6 | -87 | 0 | 0 | 0 | 112.2 | L44 P45 E46 H50 L51 L52 | L44-F48 HydrophobicContact CD1-CB 4.21Å; L44-F48 HydrophobicContact CD1-CG 4.39Å; L44-F48 HydrophobicContact CD2-CB 3.68Å; L44-F48 HydrophobicContact CD2-CG 4.43Å; L44-F48 HydrophobicContact CG-CB 3.65Å; L44-F48 HydrophobicContact CG-CG 4.35Å; P45-F48 PolarHBondContact O-N 2.79Å; E46-F48 VanDerWaalsContact C-N 3.27Å; E46-F48 PolarHBondContact O-N 3.33Å; F48-H50 VanDerWaalsContact C-N 3.29Å; F48-H50 PolarHBondContact O-N 3.41Å; F48-L51 HydrophobicContact CD1-CD2 4.23Å; F48-L51 HydrophobicContact CE1-CD2 4.15Å; F48-L51 PolarHBondContact O-N 3.48Å; F48-L52 WeakPolarHBondContact O-CB 3.45Å; F48-L52 VanDerWaalsContact O-CG 3.28Å; F48-L52 WeakPolarHBondContact O-CG 3.46Å; F48-L52 PolarHBondContact O-N 3.47Å |
| 49 | E | 66.8 | Low | 62.3 | Low | 109 Ų | 109 | 124.2 Ų | 124.2 | 51% | 0.509 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.3 | -44.3 | 172.7 | -62.4 | -161.3 | 147.6 | 0 | 0 | 111 | E46 L51 L52 Q53 | E46-E49 PolarHBondContact O-N 2.77Å; E49-L51 PolarHBondContact O-N 3.04Å; E49-L52 PolarHBondContact O-N 3.04Å; E49-Q53 WeakPolarHBondContact O-CB 3.42Å; E49-Q53 PolarHBondContact O-N 3.24Å |
| 50 | H | 65.9 | Low | 62.4 | Low | 113 Ų | 113 | 126.2 Ų | 126.2 | 52% | 0.523 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.4 | -34.2 | 177.4 | -68.2 | -46.7 | 0 | 0 | 0 | 113.1 | E46 F48 R54 | E46-H50 PolarHBondContact O-CD2 3.32Å; E46-H50 VanDerWaalsContact O-CD2 3.3Å; E46-H50 PolarHBondContact O-N 3.29Å; F48-H50 VanDerWaalsContact C-N 3.29Å; F48-H50 PolarHBondContact O-N 3.41Å; H50-R54 VanDerWaalsContact O-CB 3.25Å; H50-R54 WeakPolarHBondContact O-CB 3.37Å; H50-R54 PolarHBondContact O-N 3.38Å |
| 51 | L | 70.2 | Confident | 62.5 | Low | 79 Ų | 79 | 126 Ų | 126 | 41% | 0.414 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.6 | -48.9 | 174.6 | -174.6 | 108.2 | 0 | 0 | 0 | 110.9 | P47 F48 E49 Q53 R54 I55 | P47-L51 WeakPolarHBondContact O-CB 3.19Å; P47-L51 PolarHBondContact O-N 3.26Å; P47-L51 VanDerWaalsContact O-N 3.07Å; F48-L51 HydrophobicContact CD1-CD2 4.23Å; F48-L51 HydrophobicContact CE1-CD2 4.15Å; F48-L51 PolarHBondContact O-N 3.48Å; E49-L51 PolarHBondContact O-N 3.04Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 3.05Å; L51-R54 CarbonylContact O-C 3.54Å; L51-R54 WeakPolarHBondContact O-CA 3.27Å; L51-R54 WeakPolarHBondContact O-CB 3.36Å; L51-R54 PolarHBondContact O-N 3.05Å; L51-R54 VanDerWaalsContact O-N 3.09Å; L51-I55 HydrophobicContact CD2-CD1 3.69Å; L51-I55 HydrophobicContact CG-CD1 3.89Å; L51-I55 VanDerWaalsContact O-CG1 3.28Å; L51-I55 WeakPolarHBondContact O-CG1 3.34Å; L51-I55 PolarHBondContact O-N 2.9Å |
| 52 | L | 71.6 | Confident | 62.7 | Low | 86 Ų | 86 | 127.2 Ų | 127.2 | 45% | 0.45 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.4 | -40.1 | 177.3 | -70 | 175.2 | 0 | 0 | 0 | 110.8 | L44 F48 E49 R54 I55 A56 | L44-L52 HydrophobicContact CD2-CD1 3.97Å; F48-L52 WeakPolarHBondContact O-CB 3.45Å; F48-L52 VanDerWaalsContact O-CG 3.28Å; F48-L52 WeakPolarHBondContact O-CG 3.46Å; F48-L52 PolarHBondContact O-N 3.47Å; E49-L52 PolarHBondContact O-N 3.04Å; L52-R54 VanDerWaalsContact C-N 3.29Å; L52-R54 PolarHBondContact O-N 3.03Å; L52-I55 PolarHBondContact O-N 2.97Å; L52-A56 WeakPolarHBondContact O-CB 3.23Å; L52-A56 PolarHBondContact O-N 2.97Å |
| 53 | Q | 71.2 | Confident | 62.9 | Low | 89 Ų | 89 | 126.1 Ų | 126.1 | 42% | 0.416 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.5 | -33.8 | 173.7 | -167.2 | 177 | 48.5 | 0 | 0 | 112 | E49 L51 R57 | E49-Q53 WeakPolarHBondContact O-CB 3.42Å; E49-Q53 PolarHBondContact O-N 3.24Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 3.05Å; Q53-R57 WeakPolarHBondContact O-CB 3.2Å; Q53-R57 WeakPolarHBondContact O-CG 3.49Å; Q53-R57 PolarHBondContact O-N 2.72Å |
| 54 | R | 65.9 | Low | 63.1 | Low | 198 Ų | 198 | 125.4 Ų | 125.4 | 75% | 0.747 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.9 | -31.6 | 173.2 | -176 | -177.4 | -69.2 | 174.4 | -0.5 | 112.7 | H50 L51 L52 R57 | H50-R54 VanDerWaalsContact O-CB 3.25Å; H50-R54 WeakPolarHBondContact O-CB 3.37Å; H50-R54 PolarHBondContact O-N 3.38Å; L51-R54 CarbonylContact O-C 3.54Å; L51-R54 WeakPolarHBondContact O-CA 3.27Å; L51-R54 WeakPolarHBondContact O-CB 3.36Å; L51-R54 PolarHBondContact O-N 3.05Å; L51-R54 VanDerWaalsContact O-N 3.09Å; L52-R54 VanDerWaalsContact C-N 3.29Å; L52-R54 PolarHBondContact O-N 3.03Å; R54-R57 VanDerWaalsContact O-O 3.05Å |
| 55 | I | 67.1 | Low | 63 | Low | 113 Ų | 113 | 131 Ų | 131 | 58% | 0.579 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -79.1 | -43.7 | 177.1 | -67.3 | 164.2 | 0 | 0 | 0 | 110.6 | L51 L52 | L51-I55 HydrophobicContact CD2-CD1 3.69Å; L51-I55 HydrophobicContact CG-CD1 3.89Å; L51-I55 VanDerWaalsContact O-CG1 3.28Å; L51-I55 WeakPolarHBondContact O-CG1 3.34Å; L51-I55 PolarHBondContact O-N 2.9Å; L52-I55 PolarHBondContact O-N 2.97Å |
| 56 | A | 68.4 | Low | 63 | Low | 82 Ų | 82 | 129.9 Ų | 129.9 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.5 | -32.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L52 R58 | L52-A56 WeakPolarHBondContact O-CB 3.23Å; L52-A56 PolarHBondContact O-N 2.97Å; A56-R58 PolarHBondContact O-N 2.73Å; A56-R58 VanDerWaalsContact O-N 3.07Å |
| 57 | R | 64.6 | Low | 63.2 | Low | 172 Ų | 172 | 131.6 Ų | 131.6 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -74.9 | 97.8 | 165.3 | -69.7 | 177.3 | -179.3 | -171.1 | 2.9 | 107.6 | Q53 R54 | Q53-R57 WeakPolarHBondContact O-CB 3.2Å; Q53-R57 WeakPolarHBondContact O-CG 3.49Å; Q53-R57 PolarHBondContact O-N 2.72Å; R54-R57 VanDerWaalsContact O-O 3.05Å |
| 58 | R | 57.7 | Low | 62.8 | Low | 226 Ų | 226 | 134.8 Ų | 134.8 | 85% | 0.853 | 66% | 0.656 | S | S | * | * | trans | -32.7 | 132 | 176.3 | -65.8 | -142.2 | -177.9 | -163.4 | 1.9 | 111.4 | A56 K60 | A56-R58 PolarHBondContact O-N 2.73Å; A56-R58 VanDerWaalsContact O-N 3.07Å; R58-K60 PolarHBondContact O-N 2.65Å | ||
| 59 | P | 59.8 | Low | 62.7 | Low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 66% | 0.66 | S | S | * | * | trans | -53.9 | 117.7 | 174.4 | 22.9 | -31.7 | 0 | 0 | 0 | 107.2 | P61 | P59-P61 VanDerWaalsContact O-N 3.16Š| ||
| 60 | K | 55.9 | Low | 62.4 | Low | 189 Ų | 189 | 135.1 Ų | 135.1 | 82% | 0.822 | 67% | 0.671 | S | S | * | * | trans | -44.5 | 125.7 | 177.9 | -159.6 | 174.1 | -170.7 | 175.5 | 0 | 106 | R58 Q62 | R58-K60 PolarHBondContact O-N 2.65Å; K60-Q62 VanDerWaalsContact C-N 3.33Å; K60-Q62 WeakPolarHBondContact O-CA 3.17Å; K60-Q62 PolarHBondContact O-N 2.73Å | ||
| 61 | P | 57.2 | Low | 62.3 | Low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 69% | 0.685 | S | S | * | * | trans | -49.1 | 108.1 | -175.4 | 19.4 | -31.5 | 0 | 0 | 0 | 105.9 | P59 Q63 | P59-P61 VanDerWaalsContact O-N 3.16Å; P61-Q63 PolarHBondContact O-N 2.72Å | ||
| 62 | Q | 56.8 | Low | 61.6 | Low | 150 Ų | 150 | 141.3 Ų | 141.3 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | trans | -63.3 | 102.2 | -174.9 | -157.7 | 171 | -2.8 | 0 | 0 | 101.4 | K60 F64 | K60-Q62 VanDerWaalsContact C-N 3.33Å; K60-Q62 WeakPolarHBondContact O-CA 3.17Å; K60-Q62 PolarHBondContact O-N 2.73Å; Q62-F64 HydrophobicContact CB-CD2 4.39Å; Q62-F64 HydrophobicContact CB-CE2 4Å; Q62-F64 HydrophobicContact CB-CZ 4.25Å; Q62-F64 HydrophobicContact CG-CZ 4.32Å; Q62-F64 WeakPolarHBondContact O-CD2 3.21Å; Q62-F64 PolarHBondContact O-N 2.93Å | ||
| 63 | Q | 62.1 | Low | 60.7 | Low | 157 Ų | 157 | 140.7 Ų | 140.7 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | -65.1 | 83.9 | 173.8 | -73.1 | 177.5 | -34.5 | 0 | 0 | 102.8 | P61 F65 | P61-Q63 PolarHBondContact O-N 2.72Å; Q63-F65 HydrophobicContact CB-CD2 4.23Å; Q63-F65 HydrophobicContact CB-CE2 4.25Å; Q63-F65 PolarHBondContact O-N 3.07Å | ||
| 64 | F | 59.2 | Low | 59.9 | Low | 165 Ų | 165 | 143.1 Ų | 143.1 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | trans | -56.8 | 90.8 | 153.6 | -61.8 | -76.6 | 0 | 0 | 0 | 101.8 | Q62 G66 | Q62-F64 HydrophobicContact CB-CD2 4.39Å; Q62-F64 HydrophobicContact CB-CE2 4Å; Q62-F64 HydrophobicContact CB-CZ 4.25Å; Q62-F64 HydrophobicContact CG-CZ 4.32Å; Q62-F64 WeakPolarHBondContact O-CD2 3.21Å; Q62-F64 PolarHBondContact O-N 2.93Å; F64-G66 PolarHBondContact O-N 2.75Å | ||
| 65 | F | 57.3 | Low | 59.6 | Low | 176 Ų | 176 | 135.6 Ų | 135.6 | 77% | 0.772 | 69% | 0.693 | S | S | * | * | trans | -57.1 | 92.9 | 155.6 | -88.3 | -85.9 | 0 | 0 | 0 | 102.5 | Q63 L67 | Q63-F65 HydrophobicContact CB-CD2 4.23Å; Q63-F65 HydrophobicContact CB-CE2 4.25Å; Q63-F65 PolarHBondContact O-N 3.07Å; F65-L67 PolarHBondContact O-N 3.01Å | ||
| 66 | G | 60.5 | Low | 59.2 | Low | 52 Ų | 52 | 134.7 Ų | 134.7 | 54% | 0.536 | 70% | 0.697 | S | S | . | * | trans | -51.8 | 119.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | F64 M68 | F64-G66 PolarHBondContact O-N 2.75Å; G66-M68 PolarHBondContact O-N 2.64Å | ||
| 67 | L | 62.1 | Low | 58.9 | Low | 185 Ų | 185 | 136.5 Ų | 136.5 | 97% | 0.969 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -58.3 | 3 | 154.1 | -77 | 165.5 | 0 | 0 | 0 | 111.2 | F65 G69 | F65-L67 PolarHBondContact O-N 3.01Å; L67-G69 PolarHBondContact O-N 2.72Å |
| 68 | M | 55.8 | Low | 58.8 | Low | 156 Ų | 156 | 134.3 Ų | 134.3 | 77% | 0.768 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -75.6 | 85.9 | 161.7 | -149.3 | 159 | 100.4 | 0 | 0 | 107.9 | G66 | G66-M68 PolarHBondContact O-N 2.64Š|
| 69 | G | 60.9 | Low | 59 | Low | 53 Ų | 53 | 129.6 Ų | 129.6 | 55% | 0.546 | 68% | 0.677 | S | S | . | * | trans | -42.9 | 142.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L67 R71 | L67-G69 PolarHBondContact O-N 2.72Å; G69-R71 PolarHBondContact O-N 3.3Å | ||
| 70 | K | 60.6 | Low | 59.2 | Low | 169 Ų | 169 | 130.9 Ų | 130.9 | 74% | 0.735 | 67% | 0.672 | S | S | * | * | trans | -41.5 | 97.8 | 172.3 | -158.3 | -172.2 | -177.5 | -127.9 | 0 | 109.9 | D72 | K70-D72 VanDerWaalsContact C-N 3.26Å; K70-D72 WeakPolarHBondContact CE-OD1 3.08Å; K70-D72 WeakPolarHBondContact CG-OD1 3.17Å; K70-D72 IonicContact NZ-OD1 2.77Å; K70-D72 PolarHBondContact NZ-OD1 3.28Å; K70-D72 IonicContact NZ-OD2 2.72Å; K70-D72 PolarHBondContact NZ-OD2 2.8Å; K70-D72 PolarHBondContact O-N 3.49Å; K70-D72 VanDerWaalsContact O-N 3.16Å | ||
| 71 | R | 63.8 | Low | 59.8 | Low | 214 Ų | 214 | 126 Ų | 126 | 81% | 0.808 | 66% | 0.658 | S | S | * | * | trans | -82.4 | 85.3 | 166.3 | -80.8 | -177.5 | 154.1 | 111.3 | -3.6 | 105.2 | G69 A73 | G69-R71 PolarHBondContact O-N 3.3Å; R71-A73 PolarHBondContact O-N 3.36Å; R71-A73 VanDerWaalsContact O-N 3.13Å | ||
| 72 | D | 54.3 | Low | 60.2 | Low | 108 Ų | 108 | 123.4 Ų | 123.4 | 58% | 0.578 | 65% | 0.646 | S | S | * | * | trans | -61.8 | 116.7 | 165.7 | -71 | -35.1 | 0 | 0 | 0 | 106.9 | K70 | K70-D72 VanDerWaalsContact C-N 3.26Å; K70-D72 WeakPolarHBondContact CE-OD1 3.08Å; K70-D72 WeakPolarHBondContact CG-OD1 3.17Å; K70-D72 IonicContact NZ-OD1 2.77Å; K70-D72 PolarHBondContact NZ-OD1 3.28Å; K70-D72 IonicContact NZ-OD2 2.72Å; K70-D72 PolarHBondContact NZ-OD2 2.8Å; K70-D72 PolarHBondContact O-N 3.49Å; K70-D72 VanDerWaalsContact O-N 3.16Å | ||
| 73 | A | 53.8 | Low | 60.7 | Low | 72 Ų | 72 | 121.9 Ų | 121.9 | 60% | 0.595 | 64% | 0.642 | S | S | * | * | trans | -72.6 | 133.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | R71 S75 | R71-A73 PolarHBondContact O-N 3.36Å; R71-A73 VanDerWaalsContact O-N 3.13Å; A73-S75 PolarHBondContact O-N 3.01Å | ||
| 74 | D | 54.3 | Low | 61.1 | Low | 141 Ų | 141 | 119.2 Ų | 119.2 | 75% | 0.754 | 63% | 0.633 | S | S | * | * | trans | 41.9 | 74.8 | 137.5 | -51.5 | -26.1 | 0 | 0 | 0 | 118.7 | ||||
| 75 | S | 58.8 | Low | 61.6 | Low | 40 Ų | 40 | 119.1 Ų | 119.1 | 28% | 0.28 | 63% | 0.632 | S | S | . | * | trans | -141.3 | 125.1 | 133.8 | 77.1 | 0 | 0 | 0 | 0 | 109.3 | A73 I77 E78 K79 | A73-S75 PolarHBondContact O-N 3.01Å; S75-I77 PolarHBondContact O-N 3.46Å; S75-I77 VanDerWaalsContact O-N 3.12Å; S75-E78 PolarHBondContact O-N 3.29Å; S75-E78 WeakPolarHBondContact OG-CB 3.28Å; S75-E78 WeakPolarHBondContact OG-CG 3.39Å; S75-E78 PolarHBondContact OG-N 2.86Å; S75-E78 PolarHBondContact OG-OE2 3.18Å; S75-K79 PolarHBondContact O-N 3.18Å | ||
| 76 | S | 59.9 | Low | 61.9 | Low | 93 Ų | 93 | 114.1 Ų | 114.1 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.7 | -22.5 | -177.2 | 68.7 | 0 | 0 | 0 | 0 | 112.6 | Q80 | S76-Q80 PolarHBondContact O-N 3.09Å |
| 77 | I | 61.9 | Low | 62.1 | Low | 120 Ų | 120 | 118.4 Ų | 118.4 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.9 | -43.7 | 179.5 | -57.3 | 174.4 | 0 | 0 | 0 | 110.4 | S75 K79 Q80 V81 | S75-I77 PolarHBondContact O-N 3.46Å; S75-I77 VanDerWaalsContact O-N 3.12Å; I77-K79 VanDerWaalsContact C-N 3.27Å; I77-K79 PolarHBondContact O-N 2.94Å; I77-Q80 PolarHBondContact O-N 3.47Å; I77-Q80 VanDerWaalsContact O-N 3.16Å; I77-V81 WeakPolarHBondContact O-CG2 3.28Å; I77-V81 PolarHBondContact O-N 3.14Å |
| 78 | E | 61.5 | Low | 62 | Low | 126 Ų | 126 | 119 Ų | 119 | 59% | 0.589 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.9 | -28.7 | 178 | -73 | 169.5 | 167.7 | 0 | 0 | 112.4 | S75 V81 A82 | S75-E78 PolarHBondContact O-N 3.29Å; S75-E78 WeakPolarHBondContact OG-CB 3.28Å; S75-E78 WeakPolarHBondContact OG-CG 3.39Å; S75-E78 PolarHBondContact OG-N 2.86Å; S75-E78 PolarHBondContact OG-OE2 3.18Å; E78-V81 PolarHBondContact O-N 3.43Å; E78-A82 WeakPolarHBondContact O-CB 3.25Å; E78-A82 PolarHBondContact O-N 3.4Å |
| 79 | K | 63 | Low | 62 | Low | 128 Ų | 128 | 113.7 Ų | 113.7 | 56% | 0.557 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.7 | -39.2 | 172.4 | -68.1 | -178.9 | -176.8 | 173.4 | 0 | 112.3 | S75 I77 L83 | S75-K79 PolarHBondContact O-N 3.18Å; I77-K79 VanDerWaalsContact C-N 3.27Å; I77-K79 PolarHBondContact O-N 2.94Å; K79-L83 WeakPolarHBondContact O-CB 3.47Å; K79-L83 WeakPolarHBondContact O-CG 3.5Å; K79-L83 PolarHBondContact O-N 2.81Å |
| 80 | Q | 64.3 | Low | 61.6 | Low | 143 Ų | 143 | 120.2 Ų | 120.2 | 67% | 0.668 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.4 | -40.8 | 176.6 | -69.2 | -173.7 | -8.9 | 0 | 0 | 111.5 | S76 I77 L83 L84 | S76-Q80 PolarHBondContact O-N 3.09Å; I77-Q80 PolarHBondContact O-N 3.47Å; I77-Q80 VanDerWaalsContact O-N 3.16Å; Q80-L83 PolarHBondContact O-N 2.82Å; Q80-L84 WeakPolarHBondContact O-CB 3.13Å; Q80-L84 PolarHBondContact O-N 3.49Å |
| 81 | V | 67.5 | Low | 61.5 | Low | 87 Ų | 87 | 114.5 Ų | 114.5 | 53% | 0.527 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.6 | -38.3 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | I77 E78 L84 K85 | I77-V81 WeakPolarHBondContact O-CG2 3.28Å; I77-V81 PolarHBondContact O-N 3.14Å; E78-V81 PolarHBondContact O-N 3.43Å; V81-L84 PolarHBondContact O-N 3.48Å; V81-K85 WeakPolarHBondContact O-CB 3.49Å; V81-K85 PolarHBondContact O-N 2.95Å |
| 82 | A | 66.5 | Low | 61.1 | Low | 57 Ų | 57 | 113.1 Ų | 113.1 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.6 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E78 K85 A86 | E78-A82 WeakPolarHBondContact O-CB 3.25Å; E78-A82 PolarHBondContact O-N 3.4Å; A82-K85 PolarHBondContact O-N 3.37Å; A82-A86 VanDerWaalsContact O-CB 3.25Å; A82-A86 WeakPolarHBondContact O-CB 3.36Å; A82-A86 PolarHBondContact O-N 3.49Å |
| 83 | L | 66.6 | Low | 61 | Low | 117 Ų | 117 | 116 Ų | 116 | 61% | 0.613 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.1 | -43.9 | 173.6 | -83.9 | 172.1 | 0 | 0 | 0 | 112 | K79 Q80 K85 A86 L87 | K79-L83 WeakPolarHBondContact O-CB 3.47Å; K79-L83 WeakPolarHBondContact O-CG 3.5Å; K79-L83 PolarHBondContact O-N 2.81Å; Q80-L83 PolarHBondContact O-N 2.82Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 3.11Å; L83-A86 PolarHBondContact O-N 3.45Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 WeakPolarHBondContact O-CG 3.46Å; L83-L87 PolarHBondContact O-N 3.3Å |
| 84 | L | 71.6 | Confident | 61.2 | Low | 102 Ų | 102 | 116 Ų | 116 | 53% | 0.534 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.2 | -44.6 | 174.1 | -166.6 | 75.1 | 0 | 0 | 0 | 110.6 | Q80 V81 A86 L87 Y88 | Q80-L84 WeakPolarHBondContact O-CB 3.13Å; Q80-L84 PolarHBondContact O-N 3.49Å; V81-L84 PolarHBondContact O-N 3.48Å; L84-A86 VanDerWaalsContact C-N 3.29Å; L84-A86 PolarHBondContact O-N 3.22Å; L84-L87 PolarHBondContact O-N 3.07Å; L84-Y88 HydrophobicContact CD1-CD2 4.12Å; L84-Y88 HydrophobicContact CD1-CE2 3.79Å; L84-Y88 HydrophobicContact CG-CD2 4.16Å; L84-Y88 HydrophobicContact CG-CE2 4.28Å; L84-Y88 WeakPolarHBondContact O-CD2 3.34Å; L84-Y88 PolarHBondContact O-N 3.42Å |
| 85 | K | 68.7 | Low | 61.3 | Low | 163 Ų | 163 | 116.8 Ų | 116.8 | 71% | 0.709 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.6 | -29.1 | 177.4 | -164.2 | 168.9 | -174.2 | 174.1 | 0 | 112.8 | V81 A82 L83 G89 | V81-K85 WeakPolarHBondContact O-CB 3.49Å; V81-K85 PolarHBondContact O-N 2.95Å; A82-K85 PolarHBondContact O-N 3.37Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 3.11Å; K85-G89 VanDerWaalsContact O-CA 3.23Å; K85-G89 WeakPolarHBondContact O-CA 3.12Å; K85-G89 PolarHBondContact O-N 3.42Å |
| 86 | A | 64.4 | Low | 61.2 | Low | 70 Ų | 70 | 124.9 Ų | 124.9 | 58% | 0.579 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.2 | -35 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A82 L83 L84 | A82-A86 VanDerWaalsContact O-CB 3.25Å; A82-A86 WeakPolarHBondContact O-CB 3.36Å; A82-A86 PolarHBondContact O-N 3.49Å; L83-A86 PolarHBondContact O-N 3.45Å; L84-A86 VanDerWaalsContact C-N 3.29Å; L84-A86 PolarHBondContact O-N 3.22Å |
| 87 | L | 64 | Low | 61.1 | Low | 142 Ų | 142 | 130.4 Ų | 130.4 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.9 | -35.7 | 176.9 | -78.2 | 160.7 | 0 | 0 | 0 | 112.4 | L83 L84 | L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 WeakPolarHBondContact O-CG 3.46Å; L83-L87 PolarHBondContact O-N 3.3Å; L84-L87 PolarHBondContact O-N 3.07Å |
| 88 | Y | 61.1 | Low | 60.8 | Low | 198 Ų | 198 | 131.2 Ų | 131.2 | 78% | 0.776 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -93.5 | -15.9 | 177.2 | -75.8 | -88 | 0 | 0 | 0 | 113.8 | L84 H90 | L84-Y88 HydrophobicContact CD1-CD2 4.12Å; L84-Y88 HydrophobicContact CD1-CE2 3.79Å; L84-Y88 HydrophobicContact CG-CD2 4.16Å; L84-Y88 HydrophobicContact CG-CE2 4.28Å; L84-Y88 WeakPolarHBondContact O-CD2 3.34Å; L84-Y88 PolarHBondContact O-N 3.42Å; Y88-H90 PolarHBondContact O-N 3.27Å |
| 89 | G | 54.8 | Low | 60.6 | Low | 44 Ų | 44 | 133.9 Ų | 133.9 | 45% | 0.454 | 67% | 0.672 | S | S | . | * | trans | -93.4 | 75.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K85 G91 | K85-G89 VanDerWaalsContact O-CA 3.23Å; K85-G89 WeakPolarHBondContact O-CA 3.12Å; K85-G89 PolarHBondContact O-N 3.42Å; G89-G91 PolarHBondContact O-N 3.37Å | ||
| 90 | H | 53.2 | Low | 60.3 | Low | 190 Ų | 190 | 131.7 Ų | 131.7 | 88% | 0.88 | 67% | 0.669 | S | S | * | * | trans | -51.3 | 108.7 | 165.4 | -172.7 | 71.9 | 0 | 0 | 0 | 110.5 | Y88 | Y88-H90 PolarHBondContact O-N 3.27Š| ||
| 91 | G | 58.1 | Low | 59.8 | Low | 50 Ų | 50 | 130.1 Ų | 130.1 | 52% | 0.515 | 67% | 0.666 | S | S | . | * | trans | 67.8 | 53.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | G89 | G89-G91 PolarHBondContact O-N 3.37Š| ||
| 92 | Q | 56 | Low | 59.2 | Low | 185 Ų | 185 | 129.9 Ų | 129.9 | 86% | 0.864 | 67% | 0.668 | S | S | * | * | trans | -103.8 | 38.5 | 153.8 | -67.8 | -137.5 | -24.3 | 0 | 0 | 113.1 | S94 | Q92-S94 PolarHBondContact O-N 2.8Š| ||
| 93 | I | 51.8 | Low | 58.6 | Low | 168 Ų | 168 | 134.5 Ų | 134.5 | 86% | 0.862 | 68% | 0.677 | S | S | * | * | trans | -80.9 | 46.8 | 142.4 | -60.1 | 135.5 | 0 | 0 | 0 | 107.4 | H95 | I93-H95 PolarHBondContact O-N 3.3Š| ||
| 94 | S | 56.7 | Low | 58.1 | Low | 71 Ų | 71 | 132.7 Ų | 132.7 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | trans | -103.2 | 62.5 | -178.9 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | Q92 | Q92-S94 PolarHBondContact O-N 2.8Š| ||
| 95 | H | 57.8 | Low | 57.4 | Low | 158 Ų | 158 | 131.5 Ų | 131.5 | 73% | 0.731 | 68% | 0.683 | S | S | * | * | trans | -145.2 | 54.7 | 148.2 | -79 | -59.9 | 0 | 0 | 0 | 109.9 | I93 R97 | I93-H95 PolarHBondContact O-N 3.3Å; H95-R97 PolarHBondContact O-N 3.24Å | ||
| 96 | K | 56.7 | Low | 57 | Low | 211 Ų | 211 | 131.5 Ų | 131.5 | 92% | 0.917 | 69% | 0.69 | S | S | * | * | trans | -69.1 | 61.7 | 140.7 | -85.7 | -164.3 | 177.4 | -170.5 | 0 | 108.4 | ||||
| 97 | R | 56.1 | Low | 56.6 | Low | 209 Ų | 209 | 135 Ų | 135 | 79% | 0.789 | 70% | 0.697 | S | S | * | * | trans | -91.3 | 104.8 | 169.2 | -96.4 | -168.2 | 173.3 | -145.4 | -1.4 | 107.8 | H95 | H95-R97 PolarHBondContact O-N 3.24Š| ||
| 98 | H | 56.6 | Low | 56.3 | Low | 136 Ų | 136 | 131 Ų | 131 | 63% | 0.63 | 69% | 0.689 | S | S | * | * | trans | 45.4 | 81.4 | 152 | -132.7 | -82.9 | 0 | 0 | 0 | 117.1 | T100 | H98-T100 PolarHBondContact CE1-OG1 3.03Å; H98-T100 PolarHBondContact ND1-OG1 3.43Å; H98-T100 PolarHBondContact O-N 2.66Å | ||
| 99 | K | 57.8 | Low | 56.2 | Low | 182 Ų | 182 | 130.6 Ų | 130.6 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 19.3 | 174.9 | -133.7 | 179.2 | -167.8 | -168.5 | 0 | 114.2 | S102 | K99-S102 PolarHBondContact O-OG 3.09Š|
| 100 | T | 55.8 | Low | 56.2 | Low | 82 Ų | 82 | 139.1 Ų | 139.1 | 50% | 0.503 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | -23.5 | 174.7 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | H98 | H98-T100 PolarHBondContact CE1-OG1 3.03Å; H98-T100 PolarHBondContact ND1-OG1 3.43Å; H98-T100 PolarHBondContact O-N 2.66Å |
| 101 | D | 53.8 | Low | 56.3 | Low | 111 Ų | 111 | 133 Ų | 133 | 59% | 0.594 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -97.3 | -10.7 | -173.5 | -71 | 0.9 | 0 | 0 | 0 | 112.9 | F103 V104 | D101-F103 PolarHBondContact O-N 3.19Å; D101-V104 HydrophobicContact CB-CG2 4.4Å; D101-V104 WeakPolarHBondContact O-CB 3.44Å; D101-V104 PolarHBondContact O-N 3.33Å; D101-V104 VanDerWaalsContact O-N 3.09Å |
| 102 | S | 56.1 | Low | 56.1 | Low | 81 Ų | 81 | 139 Ų | 139 | 57% | 0.566 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -66.7 | -12 | 172.4 | 31.5 | 0 | 0 | 0 | 0 | 113.9 | K99 | K99-S102 PolarHBondContact O-OG 3.09Š|
| 103 | F | 53.4 | Low | 55.9 | Low | 155 Ų | 155 | 135.6 Ų | 135.6 | 68% | 0.68 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -100.3 | -2.6 | 172.3 | -67.6 | -75.2 | 0 | 0 | 0 | 113.8 | D101 G105 | D101-F103 PolarHBondContact O-N 3.19Å; F103-G105 PolarHBondContact O-N 3.5Å |
| 104 | V | 56.3 | Low | 56 | Low | 78 Ų | 78 | 131.6 Ų | 131.6 | 47% | 0.473 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.9 | -9.1 | 179.7 | -178.6 | 0 | 0 | 0 | 0 | 112 | D101 | D101-V104 HydrophobicContact CB-CG2 4.4Å; D101-V104 WeakPolarHBondContact O-CB 3.44Å; D101-V104 PolarHBondContact O-N 3.33Å; D101-V104 VanDerWaalsContact O-N 3.09Å |
| 105 | G | 56.9 | Low | 56 | Low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -17.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F103 | F103-G105 PolarHBondContact O-N 3.5Š|
| 106 | L | 60.5 | Low | 55.9 | Low | 164 Ų | 164 | 128.6 Ų | 128.6 | 86% | 0.859 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -28 | -173.8 | -145.7 | 148 | 0 | 0 | 0 | 112.6 | G108 | L106-G108 PolarHBondContact O-N 3.48Š|
| 107 | M | 56.3 | Low | 56 | Low | 144 Ų | 144 | 127.4 Ų | 127.4 | 71% | 0.709 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -95.3 | 97.1 | 169 | -154.8 | 180 | -75.5 | 0 | 0 | 107.6 | K109 | M107-K109 PolarHBondContact O-N 2.95Š|
| 108 | G | 56.7 | Low | 56.2 | Low | 57 Ų | 57 | 124 Ų | 124 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | trans | -41.7 | 137.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L106 R110 | L106-G108 PolarHBondContact O-N 3.48Å; G108-R110 VanDerWaalsContact C-N 3.31Å; G108-R110 PolarHBondContact O-N 2.73Å | ||
| 109 | K | 58.4 | Low | 56.3 | Low | 190 Ų | 190 | 126.4 Ų | 126.4 | 83% | 0.826 | 67% | 0.67 | S | S | * | * | trans | -53.5 | 91.4 | 177.5 | -65.1 | -163.2 | -179.1 | -170.2 | 0 | 110.5 | M107 A111 | M107-K109 PolarHBondContact O-N 2.95Å; K109-A111 PolarHBondContact O-N 3.48Å | ||
| 110 | R | 55.8 | Low | 56.4 | Low | 222 Ų | 222 | 120 Ų | 120 | 84% | 0.838 | 65% | 0.648 | S | S | * | * | trans | -78.3 | 86.8 | 157.6 | -73.6 | -171.9 | -81.7 | -173.2 | -3.8 | 105.7 | G108 L112 | G108-R110 VanDerWaalsContact C-N 3.31Å; G108-R110 PolarHBondContact O-N 2.73Å; R110-L112 PolarHBondContact O-N 3.06Å | ||
| 111 | A | 54.1 | Low | 57 | Low | 63 Ų | 63 | 118.5 Ų | 118.5 | 52% | 0.521 | 64% | 0.644 | S | S | . | * | trans | -54.5 | 137.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | K109 N113 | K109-A111 PolarHBondContact O-N 3.48Å; A111-N113 PolarHBondContact O-N 2.77Å | ||
| 112 | L | 54.7 | Low | 57.7 | Low | 176 Ų | 176 | 120 Ų | 120 | 92% | 0.921 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 23 | 174.4 | -67 | 167.9 | 0 | 0 | 0 | 113.6 | R110 | R110-L112 PolarHBondContact O-N 3.06Š|
| 113 | N | 52.9 | Low | 58.3 | Low | 113 Ų | 113 | 122.5 Ų | 122.5 | 60% | 0.604 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 13.7 | -176.7 | -65.4 | -23.5 | 0 | 0 | 0 | 112.5 | A111 V115 A116 Y117 | A111-N113 PolarHBondContact O-N 2.77Å; N113-V115 PolarHBondContact O-N 3.21Å; N113-A116 WeakPolarHBondContact O-CB 3.46Å; N113-A116 PolarHBondContact O-N 3.01Å; N113-Y117 PolarHBondContact O-N 3.24Å |
| 114 | S | 53.5 | Low | 59.2 | Low | 83 Ų | 83 | 119.1 Ų | 119.1 | 58% | 0.58 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -57.2 | -36.3 | -179.1 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | A116 Y117 E118 | S114-A116 VanDerWaalsContact C-N 3.31Å; S114-A116 PolarHBondContact O-N 3.5Å; S114-Y117 PolarHBondContact O-N 3.48Å; S114-E118 PolarHBondContact O-N 3.14Å; S114-E118 VanDerWaalsContact O-N 3.1Å |
| 115 | V | 55.7 | Low | 60 | Low | 105 Ų | 105 | 123.7 Ų | 123.7 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.5 | -33.1 | 176.9 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | N113 R119 | N113-V115 PolarHBondContact O-N 3.21Å; V115-R119 WeakPolarHBondContact O-CB 3.38Å; V115-R119 PolarHBondContact O-N 3.37Å; V115-R119 VanDerWaalsContact O-N 3.14Å |
| 116 | A | 56.4 | Low | 60.6 | Low | 61 Ų | 61 | 127.2 Ų | 127.2 | 50% | 0.504 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -71.3 | -40.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | N113 S114 R119 S120 | N113-A116 WeakPolarHBondContact O-CB 3.46Å; N113-A116 PolarHBondContact O-N 3.01Å; S114-A116 VanDerWaalsContact C-N 3.31Å; S114-A116 PolarHBondContact O-N 3.5Å; A116-R119 PolarHBondContact O-N 3.43Å; A116-S120 PolarHBondContact O-N 2.94Å; A116-S120 VanDerWaalsContact O-N 3.08Å; A116-S120 PolarHBondContact O-OG 2.98Å |
| 117 | Y | 58.5 | Low | 60.9 | Low | 186 Ų | 186 | 129.6 Ų | 129.6 | 73% | 0.729 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.7 | -44.9 | 177.6 | -171.6 | -99 | 0 | 0 | 0 | 111.7 | N113 S114 R119 S120 A121 | N113-Y117 PolarHBondContact O-N 3.24Å; S114-Y117 PolarHBondContact O-N 3.48Å; Y117-R119 PolarHBondContact O-N 3.1Å; Y117-S120 WeakPolarHBondContact CA-OG 3.36Å; Y117-S120 PolarHBondContact O-N 2.81Å; Y117-S120 PolarHBondContact O-OG 3.25Å; Y117-A121 WeakPolarHBondContact O-CB 3.43Å; Y117-A121 PolarHBondContact O-N 2.9Å |
| 118 | E | 59.3 | Low | 61.4 | Low | 139 Ų | 139 | 133.4 Ų | 133.4 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.1 | -42.4 | 179.1 | -158.7 | 174.6 | -159.6 | 0 | 0 | 111.8 | S114 S120 A121 M122 | S114-E118 PolarHBondContact O-N 3.14Å; S114-E118 VanDerWaalsContact O-N 3.1Å; E118-S120 PolarHBondContact O-N 3.08Å; E118-A121 PolarHBondContact O-N 2.8Å; E118-M122 PolarHBondContact O-N 3.36Å |
| 119 | R | 59.2 | Low | 61.3 | Low | 186 Ų | 186 | 143.7 Ų | 143.7 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -65 | -39.5 | 177.2 | -151.4 | 177.9 | -163.8 | 177.5 | 3.7 | 112.6 | V115 A116 Y117 Q123 | V115-R119 WeakPolarHBondContact O-CB 3.38Å; V115-R119 PolarHBondContact O-N 3.37Å; V115-R119 VanDerWaalsContact O-N 3.14Å; A116-R119 PolarHBondContact O-N 3.43Å; Y117-R119 PolarHBondContact O-N 3.1Å; R119-Q123 WeakPolarHBondContact O-CG 3.42Å; R119-Q123 PolarHBondContact O-N 3.22Å; R119-Q123 VanDerWaalsContact O-N 3.14Å |
| 120 | S | 60.9 | Low | 61.4 | Low | 48 Ų | 48 | 141.4 Ų | 141.4 | 34% | 0.336 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -70.2 | -34.2 | 174.5 | 48.9 | 0 | 0 | 0 | 0 | 113 | A116 Y117 E118 N124 | A116-S120 PolarHBondContact O-N 2.94Å; A116-S120 VanDerWaalsContact O-N 3.08Å; A116-S120 PolarHBondContact O-OG 2.98Å; Y117-S120 WeakPolarHBondContact CA-OG 3.36Å; Y117-S120 PolarHBondContact O-N 2.81Å; Y117-S120 PolarHBondContact O-OG 3.25Å; E118-S120 PolarHBondContact O-N 3.08Å; S120-N124 PolarHBondContact O-N 3.47Å; S120-N124 PolarHBondContact O-ND2 3.32Å |
| 121 | A | 67.2 | Low | 61.7 | Low | 50 Ų | 50 | 137.2 Ų | 137.2 | 41% | 0.413 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.5 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y117 E118 N124 Y125 | Y117-A121 WeakPolarHBondContact O-CB 3.43Å; Y117-A121 PolarHBondContact O-N 2.9Å; E118-A121 PolarHBondContact O-N 2.8Å; A121-N124 PolarHBondContact O-N 3.2Å; A121-Y125 PolarHBondContact O-N 3.19Å |
| 122 | M | 69.3 | Low | 62.2 | Low | 141 Ų | 141 | 141.3 Ų | 141.3 | 70% | 0.695 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67 | -41.9 | -179.9 | -146.4 | 173.9 | -173 | 0 | 0 | 112.3 | E118 N124 Y125 E126 | E118-M122 PolarHBondContact O-N 3.36Å; M122-N124 VanDerWaalsContact C-N 3.34Å; M122-N124 PolarHBondContact O-N 3.26Å; M122-Y125 PolarHBondContact O-N 3.14Å; M122-E126 PolarHBondContact O-N 3.25Å |
| 123 | Q | 67.9 | Low | 62.6 | Low | 135 Ų | 135 | 139.2 Ų | 139.2 | 63% | 0.631 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.1 | -36.5 | 175.1 | -77.9 | -178.3 | -20 | 0 | 0 | 113.3 | R119 Y125 R127 | R119-Q123 WeakPolarHBondContact O-CG 3.42Å; R119-Q123 PolarHBondContact O-N 3.22Å; R119-Q123 VanDerWaalsContact O-N 3.14Å; Q123-Y125 VanDerWaalsContact C-N 3.31Å; Q123-R127 PolarHBondContact O-N 3.43Å |
| 124 | N | 72.3 | Confident | 63.2 | Low | 83 Ų | 83 | 140.9 Ų | 140.9 | 44% | 0.444 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -71.7 | -26.5 | 177.3 | -80.4 | -59 | 0 | 0 | 0 | 112.8 | S120 A121 M122 R128 | S120-N124 PolarHBondContact O-N 3.47Å; S120-N124 PolarHBondContact O-ND2 3.32Å; A121-N124 PolarHBondContact O-N 3.2Å; M122-N124 VanDerWaalsContact C-N 3.34Å; M122-N124 PolarHBondContact O-N 3.26Å; N124-R128 WeakPolarHBondContact O-CG 3.42Å |
| 125 | Y | 74.6 | Confident | 63.9 | Low | 175 Ų | 175 | 144.7 Ų | 144.7 | 69% | 0.686 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.3 | -45.3 | 176.2 | -171.2 | -97 | 0 | 0 | 0 | 111.7 | A121 M122 Q123 R127 R128 | A121-Y125 PolarHBondContact O-N 3.19Å; M122-Y125 PolarHBondContact O-N 3.14Å; Q123-Y125 VanDerWaalsContact C-N 3.31Å; Y125-R127 VanDerWaalsContact C-N 3.31Å; Y125-R127 PolarHBondContact O-N 3.21Å; Y125-R128 PolarHBondContact O-N 3.34Å |
| 126 | E | 67.9 | Low | 64.5 | Low | 150 Ų | 150 | 147.6 Ų | 147.6 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.6 | -32 | 178.3 | -70.4 | -159.8 | 158.3 | 0 | 0 | 113.3 | M122 R128 R129 | M122-E126 PolarHBondContact O-N 3.25Å; E126-R128 PolarHBondContact O-N 3.4Å; E126-R129 PolarHBondContact O-N 3.39Å |
| 127 | R | 67.1 | Low | 65.1 | Low | 215 Ų | 215 | 154.2 Ų | 154.2 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -16.4 | 178 | -154.5 | -175.2 | -125.8 | 167.4 | 0.3 | 113.6 | Q123 Y125 | Q123-R127 PolarHBondContact O-N 3.43Å; Y125-R127 VanDerWaalsContact C-N 3.31Å; Y125-R127 PolarHBondContact O-N 3.21Å |
| 128 | R | 66.6 | Low | 65.6 | Low | 223 Ų | 223 | 151.6 Ų | 151.6 | 84% | 0.842 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -0.7 | -178 | -69.9 | -174 | -172.8 | -153.7 | 3.3 | 113.4 | N124 Y125 E126 | N124-R128 WeakPolarHBondContact O-CG 3.42Å; Y125-R128 PolarHBondContact O-N 3.34Å; E126-R128 PolarHBondContact O-N 3.4Å |
| 129 | R | 55.3 | Low | 66.2 | Low | 274 Ų | 274 | 152.7 Ų | 152.7 | 100% | 1.034 | 66% | 0.663 | S | S | * | * | trans | -100.9 | 0 | 175.1 | -159.9 | -179.3 | -169.5 | -173.6 | 3 | 110 | E126 | E126-R129 PolarHBondContact O-N 3.39Š|
Retrieved 129 of 129 residues in 116.1 ms
(Link to these results)