| 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 | 41.1 | Very low | 60.2 | Low | 246 Ų | 246 | 108.3 Ų | 108.3 | 100% | 1.212 | 64% | 0.635 | S | S | * | * | 0 | 110.8 | 0 | -67.1 | -177.7 | -85.2 | 0 | 0 | 107.8 | |||||
| 2 | G | 63.8 | Low | 60.1 | Low | 83 Ų | 83 | 107.9 Ų | 107.9 | 86% | 0.856 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 125.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | N4 | G2-N4 PolarHBondContact O-N 3.3Š|
| 3 | Q | 55.7 | Low | 59.2 | Low | 172 Ų | 172 | 104.9 Ų | 104.9 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 126 | 171.6 | -85.5 | 175.5 | -15.5 | 0 | 0 | 109.6 | P5 | Q3-P5 WeakPolarHBondContact O-CD 3.35Š|
| 4 | N | 71.8 | Confident | 58.3 | Low | 99 Ų | 99 | 104.9 Ų | 104.9 | 53% | 0.529 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 117.7 | 171.2 | -179.5 | -18.7 | 0 | 0 | 0 | 108.5 | G2 L6 A7 M8 | G2-N4 PolarHBondContact O-N 3.3Å; N4-L6 PolarHBondContact O-N 3.27Å; N4-L6 VanDerWaalsContact OD1-CB 3.25Å; N4-L6 WeakPolarHBondContact OD1-CB 3.45Å; N4-L6 PolarHBondContact OD1-N 2.96Å; N4-A7 HydrophobicContact CB-CB 4.16Å; N4-A7 PolarHBondContact O-N 3.22Å; N4-A7 VanDerWaalsContact O-N 3.13Å; N4-M8 PolarHBondContact O-N 3.32Å |
| 5 | P | 64.4 | Low | 57.2 | Low | 91 Ų | 91 | 112.3 Ų | 112.3 | 59% | 0.591 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.6 | -28.4 | -176.7 | 25.5 | -34.5 | 0 | 0 | 0 | 112.4 | Q3 M8 L9 | Q3-P5 WeakPolarHBondContact O-CD 3.35Å; P5-M8 PolarHBondContact O-N 3.23Å; P5-L9 PolarHBondContact O-N 2.83Å |
| 6 | L | 61.1 | Low | 56.5 | Low | 122 Ų | 122 | 114.9 Ų | 114.9 | 64% | 0.639 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.7 | -42.5 | 177 | -149.9 | 74.6 | 0 | 0 | 0 | 111.3 | N4 M8 L9 T10 | N4-L6 PolarHBondContact O-N 3.27Å; N4-L6 VanDerWaalsContact OD1-CB 3.25Å; N4-L6 WeakPolarHBondContact OD1-CB 3.45Å; N4-L6 PolarHBondContact OD1-N 2.96Å; L6-M8 VanDerWaalsContact C-N 3.32Å; L6-M8 PolarHBondContact O-N 3.21Å; L6-L9 WeakPolarHBondContact O-CB 3.32Å; L6-L9 PolarHBondContact O-N 3.11Å; L6-T10 PolarHBondContact O-N 3.17Å; L6-T10 PolarHBondContact O-OG1 3.47Å; L6-T10 VanDerWaalsContact O-OG1 3.09Å |
| 7 | A | 61.5 | Low | 55.4 | Low | 58 Ų | 58 | 112.6 Ų | 112.6 | 48% | 0.479 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.8 | -34.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N4 A11 | N4-A7 HydrophobicContact CB-CB 4.16Å; N4-A7 PolarHBondContact O-N 3.22Å; N4-A7 VanDerWaalsContact O-N 3.13Å; A7-A11 WeakPolarHBondContact O-CB 3.4Å; A7-A11 PolarHBondContact O-N 3.49Å |
| 8 | M | 65.8 | Low | 54.1 | Low | 94 Ų | 94 | 109.6 Ų | 109.6 | 46% | 0.463 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.2 | -42.7 | 173.2 | -172.2 | 179.8 | 70 | 0 | 0 | 111.5 | N4 P5 L6 A11 Q12 | N4-M8 PolarHBondContact O-N 3.32Å; P5-M8 PolarHBondContact O-N 3.23Å; L6-M8 VanDerWaalsContact C-N 3.32Å; L6-M8 PolarHBondContact O-N 3.21Å; M8-A11 PolarHBondContact O-N 3Å; M8-Q12 WeakPolarHBondContact O-CG 3.37Å; M8-Q12 PolarHBondContact O-N 2.97Å |
| 9 | L | 60.8 | Low | 53.1 | Low | 97 Ų | 97 | 109.8 Ų | 109.8 | 51% | 0.508 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.6 | -49.2 | 175.8 | -115.6 | 158.2 | 0 | 0 | 0 | 111.6 | P5 L6 A11 Q12 C13 | P5-L9 PolarHBondContact O-N 2.83Å; L6-L9 WeakPolarHBondContact O-CB 3.32Å; L6-L9 PolarHBondContact O-N 3.11Å; L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 3.21Å; L9-Q12 WeakPolarHBondContact O-CB 3.48Å; L9-Q12 PolarHBondContact O-N 3.16Å; L9-Q12 VanDerWaalsContact O-N 3.1Å; L9-C13 PolarHBondContact O-N 3.27Å; L9-C13 PolarHBondContact O-SG 3.32Å; L9-C13 VanDerWaalsContact O-SG 3.38Å |
| 10 | T | 63.5 | Low | 52.4 | Low | 75 Ų | 75 | 113.1 Ų | 113.1 | 46% | 0.46 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -59.5 | -39.9 | 176 | -53.5 | 0 | 0 | 0 | 0 | 112 | L6 Q12 C13 N14 | L6-T10 PolarHBondContact O-N 3.17Å; L6-T10 PolarHBondContact O-OG1 3.47Å; L6-T10 VanDerWaalsContact O-OG1 3.09Å; T10-Q12 PolarHBondContact O-N 2.71Å; T10-C13 PolarHBondContact O-N 3.48Å; T10-N14 WeakPolarHBondContact O-CB 3.16Å; T10-N14 VanDerWaalsContact O-CG 3.32Å; T10-N14 PolarHBondContact O-N 3.43Å |
| 11 | A | 52.8 | Low | 51.7 | Low | 54 Ų | 54 | 114.2 Ų | 114.2 | 45% | 0.446 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66.5 | -34.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | A7 M8 L9 R15 | A7-A11 WeakPolarHBondContact O-CB 3.4Å; A7-A11 PolarHBondContact O-N 3.49Å; M8-A11 PolarHBondContact O-N 3Å; L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 3.21Å; A11-R15 WeakPolarHBondContact O-CB 3.5Å; A11-R15 WeakPolarHBondContact O-CG 3.1Å; A11-R15 PolarHBondContact O-N 3.48Å; A11-R15 VanDerWaalsContact O-N 3.16Å |
| 12 | Q | 59.5 | Low | 51.3 | Low | 104 Ų | 104 | 106.8 Ų | 106.8 | 49% | 0.486 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69 | -46.7 | 172.9 | -73 | 175.3 | -0.5 | 0 | 0 | 111.3 | M8 L9 T10 N14 R15 L16 | M8-Q12 WeakPolarHBondContact O-CG 3.37Å; M8-Q12 PolarHBondContact O-N 2.97Å; L9-Q12 WeakPolarHBondContact O-CB 3.48Å; L9-Q12 PolarHBondContact O-N 3.16Å; L9-Q12 VanDerWaalsContact O-N 3.1Å; T10-Q12 PolarHBondContact O-N 2.71Å; Q12-N14 PolarHBondContact O-N 2.74Å; Q12-R15 PolarHBondContact O-N 2.97Å; Q12-L16 WeakPolarHBondContact O-CD1 3.25Å; Q12-L16 PolarHBondContact O-N 3.38Å; Q12-L16 VanDerWaalsContact O-N 3.12Å |
| 13 | C | 48.2 | Very low | 49.8 | Very low | 69 Ų | 69 | 107.9 Ų | 107.9 | 47% | 0.466 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.6 | -45.6 | 176.3 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | L9 T10 R15 L16 A17 | L9-C13 PolarHBondContact O-N 3.27Å; L9-C13 PolarHBondContact O-SG 3.32Å; L9-C13 VanDerWaalsContact O-SG 3.38Å; T10-C13 PolarHBondContact O-N 3.48Å; C13-R15 VanDerWaalsContact C-N 3.29Å; C13-R15 PolarHBondContact O-N 3.24Å; C13-L16 PolarHBondContact O-N 2.65Å; C13-A17 WeakPolarHBondContact O-CB 3.12Å; C13-A17 PolarHBondContact O-N 2.94Å |
| 14 | N | 46.8 | Very low | 48.6 | Very low | 105 Ų | 105 | 107.6 Ų | 107.6 | 56% | 0.561 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.9 | -31 | 177.6 | -73.1 | -6.7 | 0 | 0 | 0 | 112.6 | T10 Q12 L16 A17 A18 | T10-N14 WeakPolarHBondContact O-CB 3.16Å; T10-N14 VanDerWaalsContact O-CG 3.32Å; T10-N14 PolarHBondContact O-N 3.43Å; Q12-N14 PolarHBondContact O-N 2.74Å; N14-L16 VanDerWaalsContact C-N 3.34Å; N14-A17 PolarHBondContact O-N 3.07Å; N14-A18 WeakPolarHBondContact O-CB 3.39Å; N14-A18 PolarHBondContact O-N 2.86Å |
| 15 | R | 41.7 | Very low | 46.7 | Very low | 215 Ų | 215 | 107 Ų | 107 | 81% | 0.811 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.5 | -26.1 | 171.4 | -81.7 | -179 | 173.7 | -170 | -0.6 | 113.9 | A11 Q12 C13 | A11-R15 WeakPolarHBondContact O-CB 3.5Å; A11-R15 WeakPolarHBondContact O-CG 3.1Å; A11-R15 PolarHBondContact O-N 3.48Å; A11-R15 VanDerWaalsContact O-N 3.16Å; Q12-R15 PolarHBondContact O-N 2.97Å; C13-R15 VanDerWaalsContact C-N 3.29Å; C13-R15 PolarHBondContact O-N 3.24Å |
| 16 | L | 45.9 | Very low | 44.9 | Very low | 154 Ų | 154 | 108.2 Ų | 108.2 | 81% | 0.806 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.3 | -34.1 | 171.9 | -92.8 | 71.7 | 0 | 0 | 0 | 112 | Q12 C13 N14 | Q12-L16 WeakPolarHBondContact O-CD1 3.25Å; Q12-L16 PolarHBondContact O-N 3.38Å; Q12-L16 VanDerWaalsContact O-N 3.12Å; C13-L16 PolarHBondContact O-N 2.65Å; N14-L16 VanDerWaalsContact C-N 3.34Å |
| 17 | A | 37.6 | Very low | 43.4 | Very low | 77 Ų | 77 | 111.3 Ų | 111.3 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -81.3 | -25 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | C13 N14 P19 | C13-A17 WeakPolarHBondContact O-CB 3.12Å; C13-A17 PolarHBondContact O-N 2.94Å; N14-A17 PolarHBondContact O-N 3.07Å; A17-P19 WeakPolarHBondContact O-CD 3.25Å; A17-P19 VanDerWaalsContact O-N 3.16Å |
| 18 | A | 31.7 | Very low | 41.8 | Very low | 58 Ų | 58 | 112.6 Ų | 112.6 | 48% | 0.479 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -60.2 | 116.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | N14 K20 | N14-A18 WeakPolarHBondContact O-CB 3.39Å; N14-A18 PolarHBondContact O-N 2.86Å; A18-K20 PolarHBondContact O-N 3.1Å |
| 19 | P | 35.2 | Very low | 39.9 | Very low | 114 Ų | 114 | 113.2 Ų | 113.2 | 74% | 0.74 | 66% | 0.663 | S | S | * | * | trans | -66.3 | 104 | -171.3 | 25.3 | -33.7 | 0 | 0 | 0 | 109.8 | A17 T21 | A17-P19 WeakPolarHBondContact O-CD 3.25Å; A17-P19 VanDerWaalsContact O-N 3.16Å; P19-T21 PolarHBondContact O-N 3.3Å | ||
| 20 | K | 38.9 | Very low | 38.3 | Very low | 175 Ų | 175 | 112.6 Ų | 112.6 | 76% | 0.761 | 66% | 0.663 | S | S | * | * | trans | -69.3 | 99.4 | 177.3 | -167.1 | -178.3 | -179.9 | -175.1 | 0 | 108.6 | A18 T22 | A18-K20 PolarHBondContact O-N 3.1Å; K20-T22 PolarHBondContact O-N 3.05Å | ||
| 21 | T | 37.9 | Very low | 36.6 | Very low | 136 Ų | 136 | 110.3 Ų | 110.3 | 83% | 0.834 | 65% | 0.65 | S | S | * | * | trans | -68.8 | 74.9 | -179.5 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | P19 | P19-T21 PolarHBondContact O-N 3.3Š| ||
| 22 | T | 33.3 | Very low | 35.9 | Very low | 90 Ų | 90 | 111.7 Ų | 111.7 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | trans | -142.4 | 104.4 | 176.5 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | K20 | K20-T22 PolarHBondContact O-N 3.05Š| ||
| 23 | S | 32 | Very low | 34.5 | Very low | 106 Ų | 106 | 111.3 Ų | 111.3 | 74% | 0.741 | 65% | 0.654 | S | S | * | * | trans | 19 | 112.7 | 144.8 | 56.6 | 0 | 0 | 0 | 0 | 117.3 | P25 | S23-P25 VanDerWaalsContact O-CD 3.22Å; S23-P25 WeakPolarHBondContact O-CD 3.35Å | ||
| 24 | I | 29.4 | Very low | 33.5 | Very low | 167 Ų | 167 | 110 Ų | 110 | 86% | 0.856 | 65% | 0.653 | S | S | * | * | trans | -57.1 | 115.7 | 169.5 | -58 | 167.8 | 0 | 0 | 0 | 109.1 | S26 | I24-S26 PolarHBondContact O-N 3.47Š| ||
| 25 | P | 32.7 | Very low | 32.7 | Very low | 86 Ų | 86 | 112.9 Ų | 112.9 | 56% | 0.558 | 67% | 0.668 | S | S | * | * | trans | -75 | 122.7 | 172.1 | -8.2 | 25.5 | 0 | 0 | 0 | 108.8 | S23 F27 | S23-P25 VanDerWaalsContact O-CD 3.22Å; S23-P25 WeakPolarHBondContact O-CD 3.35Å; P25-F27 HydrophobicContact CB-CE2 4.1Å; P25-F27 HydrophobicContact CB-CZ 4.33Å; P25-F27 HydrophobicContact CG-CE2 4.39Å; P25-F27 VanDerWaalsContact O-CD2 3.26Å; P25-F27 WeakPolarHBondContact O-CD2 3.09Å; P25-F27 PolarHBondContact O-N 3.18Å | ||
| 26 | S | 25.9 | Very low | 32 | Very low | 117 Ų | 117 | 105.9 Ų | 105.9 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | trans | -75.7 | 109.9 | 174 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | I24 A28 | I24-S26 PolarHBondContact O-N 3.47Å; S26-A28 PolarHBondContact O-N 3.22Å; S26-A28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | F | 31.3 | Very low | 31.2 | Very low | 187 Ų | 187 | 104.3 Ų | 104.3 | 82% | 0.82 | 65% | 0.653 | S | S | * | * | trans | -82.4 | 81.5 | 175.6 | -68.3 | -85.7 | 0 | 0 | 0 | 110.5 | P25 A29 | P25-F27 HydrophobicContact CB-CE2 4.1Å; P25-F27 HydrophobicContact CB-CZ 4.33Å; P25-F27 HydrophobicContact CG-CE2 4.39Å; P25-F27 VanDerWaalsContact O-CD2 3.26Å; P25-F27 WeakPolarHBondContact O-CD2 3.09Å; P25-F27 PolarHBondContact O-N 3.18Å; F27-A29 PolarHBondContact O-N 3.05Å | ||
| 28 | A | 26.6 | Very low | 31.1 | Very low | 84 Ų | 84 | 106.9 Ų | 106.9 | 69% | 0.694 | 66% | 0.655 | S | S | * | * | trans | -62.6 | 132 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110 | S26 T30 | S26-A28 PolarHBondContact O-N 3.22Å; S26-A28 VanDerWaalsContact O-N 3.08Å; A28-T30 PolarHBondContact O-N 2.88Å | ||
| 29 | A | 27.1 | Very low | 31.2 | Very low | 107 Ų | 107 | 108.5 Ų | 108.5 | 88% | 0.884 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -64.3 | 102.6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F27 | F27-A29 PolarHBondContact O-N 3.05Š|
| 30 | T | 26.3 | Very low | 31.1 | Very low | 84 Ų | 84 | 113.5 Ų | 113.5 | 52% | 0.515 | 68% | 0.679 | S | S | . | * | trans | -147.9 | 71.8 | 165.4 | 37.3 | 0 | 0 | 0 | 0 | 112.2 | A28 T69 | A28-T30 PolarHBondContact O-N 2.88Å; T30-T69 PolarHBondContact O-N 2.81Å | ||
| 31 | S | 27 | Very low | 30.8 | Very low | 27 Ų | 27 | 109.3 Ų | 109.3 | 19% | 0.189 | 67% | 0.672 | C | S | . | * | 86.5 | 175.5 | 128.1 | -30.3 | 0 | 0 | 0 | 0 | 125.6 | K49 T70 V71 | S31-K49 PolarHBondContact O-NZ 3.02Å; S31-T70 VanDerWaalsContact CB-N 3.32Å; S31-T70 VanDerWaalsContact OG-CA 3.22Å; S31-T70 WeakPolarHBondContact OG-CA 3.43Å; S31-V71 WeakPolarHBondContact OG-CG2 3.29Å; S31-V71 PolarHBondContact OG-N 3.33Å | |||
| 32 | P | 38.9 | Very low | 31.1 | Very low | 83 Ų | 83 | 109.3 Ų | 109.3 | 54% | 0.539 | 68% | 0.677 | S | S | . | * | trans | -141.3 | 146.2 | 154.1 | 39.1 | -22 | 0 | 0 | 0 | 116.9 | T70 | P32-T70 CarbonylContact C-O 3.5Š| ||
| 33 | M | 29.3 | Very low | 31.3 | Very low | 97 Ų | 97 | 108 Ų | 108 | 48% | 0.478 | 67% | 0.672 | S | S | . | * | trans | -143.7 | 153.5 | 165.8 | -130.5 | -165.1 | 130.4 | 0 | 0 | 110.4 | P52 L72 | M33-P52 HydrophobicContact CB-CB 4.19Å; M33-P52 HydrophobicContact CB-CG 4.1Å; M33-L72 HydrophobicContact CE-CD1 3.87Å; M33-L72 HydrophobicContact CG-CD1 3.46Å; M33-L72 VanDerWaalsContact CG-CD1 3.46Å; M33-L72 HydrophobicContact SD-CD1 3.33Å; M33-L72 WeakPolarHBondContact SD-CD1 3.4Å | ||
| 34 | G | 27 | Very low | 31.5 | Very low | 42 Ų | 42 | 112.2 Ų | 112.2 | 43% | 0.433 | 68% | 0.677 | S | S | . | * | trans | 98.4 | 128.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | C36 | G34-C36 PolarHBondContact O-N 3.49Š| ||
| 35 | N | 30.2 | Very low | 32 | Very low | 165 Ų | 165 | 108.1 Ų | 108.1 | 88% | 0.882 | 65% | 0.654 | S | S | * | * | trans | -65.6 | 121.2 | -179.4 | -62.3 | -10.3 | 0 | 0 | 0 | 111.7 | ||||
| 36 | C | 28.3 | Very low | 32.5 | Very low | 68 Ų | 68 | 109.3 Ų | 109.3 | 46% | 0.459 | 66% | 0.662 | S | S | . | * | trans | -97.3 | 112.7 | 177.9 | -173.5 | 0 | 0 | 0 | 0 | 112.7 | G34 C50 | G34-C36 PolarHBondContact O-N 3.49Å; C36-C50 HydrophobicContact CB-CB 3.51Å; C36-C50 WeakPolarHBondContact CB-SG 3.49Å; C36-C50 WeakPolarHBondContact SG-CB 3.48Å; C36-C50 CovalentContact SG-SG 2.02Å; C36-C50 PolarHBondContact SG-SG 3.28Å | ||
| 37 | S | 29.3 | Very low | 33.1 | Very low | 120 Ų | 120 | 113.3 Ų | 113.3 | 84% | 0.839 | 66% | 0.659 | S | S | * | * | trans | -102.9 | 96.9 | 161.9 | -170.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 38 | L | 35.7 | Very low | 33 | Very low | 131 Ų | 131 | 112 Ų | 112 | 69% | 0.686 | 65% | 0.654 | S | S | * | * | trans | -111.9 | 122.2 | 176.8 | -124.2 | 71.5 | 0 | 0 | 0 | 110.8 | ||||
| 39 | A | 33.7 | Very low | 33.6 | Very low | 93 Ų | 93 | 115.3 Ų | 115.3 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | trans | -59.7 | 154.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S41 | A39-S41 PolarHBondContact O-N 3.15Š| ||
| 40 | K | 32.1 | Very low | 33.7 | Very low | 219 Ų | 219 | 112.3 Ų | 112.3 | 95% | 0.952 | 62% | 0.624 | S | S | * | * | trans | -53.1 | 86.4 | -175.6 | -70.3 | 177.1 | 177.2 | 174.9 | 0 | 113.4 | ||||
| 41 | S | 33.4 | Very low | 34 | Very low | 86 Ų | 86 | 111.7 Ų | 111.7 | 60% | 0.601 | 62% | 0.623 | S | S | * | * | trans | -81.2 | 126.3 | 160.5 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | A39 S43 | A39-S41 PolarHBondContact O-N 3.15Å; S41-S43 PolarHBondContact O-N 3Å | ||
| 42 | S | 43.4 | Very low | 34.3 | Very low | 136 Ų | 136 | 112.5 Ų | 112.5 | 95% | 0.951 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -73.1 | 24.1 | -179.7 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 43 | S | 38.6 | Very low | 33.8 | Very low | 64 Ų | 64 | 116.1 Ų | 116.1 | 45% | 0.448 | 64% | 0.639 | S | S | . | * | trans | -128.3 | 90.4 | -177.7 | -166.4 | 0 | 0 | 0 | 0 | 109 | S41 Q45 | S41-S43 PolarHBondContact O-N 3Å; S43-Q45 VanDerWaalsContact C-N 3.32Å; S43-Q45 PolarHBondContact O-N 3.09Å; S43-Q45 WeakPolarHBondContact OG-CG 3.32Å | ||
| 44 | F | 36 | Very low | 33.8 | Very low | 193 Ų | 193 | 116.8 Ų | 116.8 | 85% | 0.846 | 65% | 0.651 | S | S | * | * | trans | -71.6 | 89.5 | 176.7 | -161.3 | -93 | 0 | 0 | 0 | 109.4 | P46 | F44-P46 WeakPolarHBondContact O-CD 3.36Š| ||
| 45 | Q | 39.2 | Very low | 34.1 | Very low | 81 Ų | 81 | 121.8 Ų | 121.8 | 38% | 0.379 | 67% | 0.673 | S | S | . | * | trans | -112.9 | 83.9 | -175.7 | -69.3 | -91.8 | -58.2 | 0 | 0 | 107.5 | S43 W47 K48 | S43-Q45 VanDerWaalsContact C-N 3.32Å; S43-Q45 PolarHBondContact O-N 3.09Å; S43-Q45 WeakPolarHBondContact OG-CG 3.32Å; Q45-W47 PolarHBondContact O-N 3.05Å; Q45-K48 HydrophobicContact CB-CB 4.46Å; Q45-K48 HydrophobicContact CB-CD 4.44Å; Q45-K48 HydrophobicContact CB-CG 4.2Å; Q45-K48 PolarHBondContact O-N 3.05Å | ||
| 46 | P | 43.2 | Very low | 33.9 | Very low | 111 Ų | 111 | 116.5 Ų | 116.5 | 72% | 0.721 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -22.4 | -167.9 | 23.2 | -34.4 | 0 | 0 | 0 | 114.4 | F44 | F44-P46 WeakPolarHBondContact O-CD 3.36Š|
| 47 | W | 37.6 | Very low | 34.4 | Very low | 201 Ų | 201 | 119.4 Ų | 119.4 | 76% | 0.761 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -14.3 | 171.8 | 58.6 | -9.9 | 0 | 0 | 0 | 116.1 | Q45 K49 | Q45-W47 PolarHBondContact O-N 3.05Å; W47-K49 PolarHBondContact O-N 3.24Å |
| 48 | K | 30.3 | Very low | 34.3 | Very low | 161 Ų | 161 | 120.8 Ų | 120.8 | 70% | 0.7 | 67% | 0.672 | S | S | * | * | trans | -78.8 | 75.6 | 174.2 | -77 | -162.8 | 174.1 | -169.9 | 0 | 110.1 | Q45 C50 | Q45-K48 HydrophobicContact CB-CB 4.46Å; Q45-K48 HydrophobicContact CB-CD 4.44Å; Q45-K48 HydrophobicContact CB-CG 4.2Å; Q45-K48 PolarHBondContact O-N 3.05Å; K48-C50 PolarHBondContact O-N 3Å | ||
| 49 | K | 38.8 | Very low | 33.9 | Very low | 153 Ų | 153 | 124 Ų | 124 | 67% | 0.665 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 131.9 | 163.8 | -79.4 | -178.1 | 172.9 | 175.8 | 0 | 109.1 | S31 W47 | S31-K49 PolarHBondContact O-NZ 3.02Å; W47-K49 PolarHBondContact O-N 3.24Å |
| 50 | C | 30 | Very low | 33.5 | Very low | 44 Ų | 44 | 122.8 Ų | 122.8 | 30% | 0.297 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -78.2 | 131.3 | 168.6 | -33.8 | 0 | 0 | 0 | 0 | 108 | C36 K48 | C36-C50 HydrophobicContact CB-CB 3.51Å; C36-C50 WeakPolarHBondContact CB-SG 3.49Å; C36-C50 WeakPolarHBondContact SG-CB 3.48Å; C36-C50 CovalentContact SG-SG 2.02Å; C36-C50 PolarHBondContact SG-SG 3.28Å; K48-C50 PolarHBondContact O-N 3Å |
| 51 | S | 32.1 | Very low | 33.3 | Very low | 70 Ų | 70 | 120.3 Ų | 120.3 | 49% | 0.49 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -72.6 | 146.6 | 175.2 | -60.6 | 0 | 0 | 0 | 0 | 111 | ||
| 52 | P | 33.6 | Very low | 33.1 | Very low | 44 Ų | 44 | 121.5 Ų | 121.5 | 29% | 0.286 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 142.9 | -179.7 | 21.1 | -32.1 | 0 | 0 | 0 | 112.8 | M33 | M33-P52 HydrophobicContact CB-CB 4.19Å; M33-P52 HydrophobicContact CB-CG 4.1Å |
| 53 | M | 28.3 | Very low | 32.2 | Very low | 159 Ų | 159 | 120.9 Ų | 120.9 | 78% | 0.783 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 129.7 | 168.6 | -74.1 | -177.4 | 174.3 | 0 | 0 | 110.2 | T55 | M53-T55 PolarHBondContact O-N 3.44Å; M53-T55 VanDerWaalsContact O-N 3.13Å |
| 54 | P | 30.1 | Very low | 31.6 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | trans | -69.3 | 108.5 | 170.3 | 27.6 | -32.1 | 0 | 0 | 0 | 109.9 | G56 | P54-G56 PolarHBondContact O-N 3.5Å; P54-G56 VanDerWaalsContact O-N 3.09Å | ||
| 55 | T | 31.6 | Very low | 31.1 | Very low | 147 Ų | 147 | 121.3 Ų | 121.3 | 90% | 0.902 | 69% | 0.692 | S | S | * | * | trans | -78.7 | 84.2 | 170.4 | 48.9 | 0 | 0 | 0 | 0 | 109.9 | M53 | M53-T55 PolarHBondContact O-N 3.44Å; M53-T55 VanDerWaalsContact O-N 3.13Å | ||
| 56 | G | 27.6 | Very low | 30.4 | Very low | 55 Ų | 55 | 123.4 Ų | 123.4 | 57% | 0.567 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 170.1 | 97.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P54 | P54-G56 PolarHBondContact O-N 3.5Å; P54-G56 VanDerWaalsContact O-N 3.09Å |
| 57 | T | 38.3 | Very low | 29.5 | Very low | 129 Ų | 129 | 120.6 Ų | 120.6 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | 49.5 | 136.5 | 154.6 | 47 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 58 | D | 27.2 | Very low | 28.9 | Very low | 148 Ų | 148 | 114.6 Ų | 114.6 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | 80.9 | 98.4 | 163.5 | -51.5 | -31.7 | 0 | 0 | 0 | 119.2 | ||||
| 59 | Q | 27 | Very low | 28.7 | Very low | 199 Ų | 199 | 110.1 Ų | 110.1 | 93% | 0.93 | 69% | 0.686 | S | S | * | * | trans | 28.1 | 94.5 | 134.9 | -65.5 | -79.2 | 8.3 | 0 | 0 | 118 | ||||
| 60 | G | 25 | Very low | 28.1 | Very low | 67 Ų | 67 | 106.2 Ų | 106.2 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | trans | 165.7 | 130.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P62 | G60-P62 WeakPolarHBondContact O-CD 3.36Š| ||
| 61 | L | 27.3 | Very low | 27.8 | Very low | 167 Ų | 167 | 108.7 Ų | 108.7 | 87% | 0.874 | 69% | 0.689 | S | S | * | * | trans | -66.7 | 122.5 | -179.5 | -69.3 | 98.6 | 0 | 0 | 0 | 110.7 | T63 | L61-T63 PolarHBondContact O-N 2.83Š| ||
| 62 | P | 31.1 | Very low | 27.5 | Very low | 111 Ų | 111 | 110.8 Ų | 110.8 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | trans | -74.1 | 96.7 | 174.7 | 29.1 | -32.7 | 0 | 0 | 0 | 110.2 | G60 | G60-P62 WeakPolarHBondContact O-CD 3.36Š| ||
| 63 | T | 24.4 | Very low | 27.2 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | -55.8 | 138.1 | 170 | -37.2 | 0 | 0 | 0 | 0 | 110.2 | L61 V65 | L61-T63 PolarHBondContact O-N 2.83Å; T63-V65 PolarHBondContact O-N 2.92Å | ||
| 64 | C | 24.8 | Very low | 27.1 | Very low | 135 Ų | 135 | 110.9 Ų | 110.9 | 91% | 0.912 | 71% | 0.714 | S | S | * | * | trans | -64.6 | 87.4 | -174.6 | -59.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 65 | V | 25.3 | Very low | 26.7 | Very low | 131 Ų | 131 | 111.9 Ų | 111.9 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | trans | -91.8 | 132.2 | 168.9 | -167.2 | 0 | 0 | 0 | 0 | 109.7 | T63 | T63-V65 PolarHBondContact O-N 2.92Š| ||
| 66 | S | 24.9 | Very low | 26.6 | Very low | 125 Ų | 125 | 113 Ų | 113 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -84.7 | 108.6 | -168.7 | 170.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 67 | G | 24.8 | Very low | 26.4 | Very low | 52 Ų | 52 | 115.1 Ų | 115.1 | 54% | 0.536 | 73% | 0.729 | S | S | . | * | trans | 153.1 | 143.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 68 | A | 24.5 | Very low | 25.7 | Very low | 76 Ų | 76 | 112.4 Ų | 112.4 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | trans | 70.7 | 162.1 | 147.8 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 69 | T | 25.9 | Very low | 25.5 | Very low | 66 Ų | 66 | 108.6 Ų | 108.6 | 41% | 0.405 | 72% | 0.723 | S | S | . | * | trans | 76.4 | 159.3 | 159 | 19 | 0 | 0 | 0 | 0 | 121.3 | T30 | T30-T69 PolarHBondContact O-N 2.81Š| ||
| 70 | T | 25.8 | Very low | 25.5 | Very low | 71 Ų | 71 | 104.2 Ų | 104.2 | 44% | 0.436 | 72% | 0.721 | S | S | . | * | cis | -142.7 | 140.1 | -2.9 | -36.6 | 0 | 0 | 0 | 0 | 111.9 | S31 P32 | S31-T70 VanDerWaalsContact CB-N 3.32Å; S31-T70 VanDerWaalsContact OG-CA 3.22Å; S31-T70 WeakPolarHBondContact OG-CA 3.43Å; P32-T70 CarbonylContact C-O 3.5Å | ||
| 71 | V | 24.4 | Very low | 25.4 | Very low | 97 Ų | 97 | 109.5 Ų | 109.5 | 59% | 0.588 | 73% | 0.728 | S | S | * | * | trans | -77.4 | 130.9 | -171.2 | 162.9 | 0 | 0 | 0 | 0 | 108.7 | S31 | S31-V71 WeakPolarHBondContact OG-CG2 3.29Å; S31-V71 PolarHBondContact OG-N 3.33Å | ||
| 72 | L | 26 | Very low | 25.3 | Very low | 114 Ų | 114 | 107 Ų | 107 | 60% | 0.597 | 72% | 0.724 | S | S | * | * | trans | -127 | 138.8 | 174.9 | -97.7 | 125.9 | 0 | 0 | 0 | 112.3 | M33 | M33-L72 HydrophobicContact CE-CD1 3.87Å; M33-L72 HydrophobicContact CG-CD1 3.46Å; M33-L72 VanDerWaalsContact CG-CD1 3.46Å; M33-L72 HydrophobicContact SD-CD1 3.33Å; M33-L72 WeakPolarHBondContact SD-CD1 3.4Å | ||
| 73 | P | 27.6 | Very low | 25.2 | Very low | 113 Ų | 113 | 107.8 Ų | 107.8 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -98 | 153.9 | -150.1 | -3.1 | 25.6 | 0 | 0 | 0 | 112.2 | ||||
| 74 | A | 26 | Very low | 25.2 | Very low | 91 Ų | 91 | 107.3 Ų | 107.3 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | -66.4 | 161 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 75 | T | 22.5 | Very low | 25.4 | Very low | 132 Ų | 132 | 104 Ų | 104 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | trans | 93.9 | 81.2 | 166.8 | -31.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 76 | I | 27.8 | Very low | 26 | Very low | 171 Ų | 171 | 103.6 Ų | 103.6 | 88% | 0.877 | 71% | 0.71 | S | S | * | * | trans | -125.1 | 118.6 | 132.6 | -61.5 | -176.8 | 0 | 0 | 0 | 107.1 | G78 | I76-G78 PolarHBondContact O-N 3.15Š| ||
| 77 | A | 24.1 | Very low | 26.5 | Very low | 99 Ų | 99 | 105.3 Ų | 105.3 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -74.2 | 119.8 | 175 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 78 | G | 23.3 | Very low | 26.7 | Very low | 72 Ų | 72 | 107.9 Ų | 107.9 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | 179.5 | 78.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | I76 | I76-G78 PolarHBondContact O-N 3.15Š| ||
| 79 | G | 22.5 | Very low | 27 | Very low | 68 Ų | 68 | 108.2 Ų | 108.2 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | 76.7 | 114.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q81 | G79-Q81 PolarHBondContact O-N 3.05Š| ||
| 80 | A | 27.3 | Very low | 27.1 | Very low | 108 Ų | 108 | 107.7 Ų | 107.7 | 89% | 0.893 | 73% | 0.732 | S | S | * | * | trans | -68.3 | 85.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | S82 | A80-S82 PolarHBondContact O-N 2.88Š| ||
| 81 | Q | 22.7 | Very low | 27.2 | Very low | 178 Ų | 178 | 109 Ų | 109 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | trans | -63.9 | 107.1 | 167 | -72.1 | -168.6 | -6.1 | 0 | 0 | 107.4 | G79 V83 | G79-Q81 PolarHBondContact O-N 3.05Å; Q81-V83 PolarHBondContact O-N 3.18Å | ||
| 82 | S | 25.7 | Very low | 27.7 | Very low | 113 Ų | 113 | 109.4 Ų | 109.4 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | -56 | 100.7 | 174 | -177 | 0 | 0 | 0 | 0 | 108.5 | A80 S84 | A80-S82 PolarHBondContact O-N 2.88Å; S82-S84 PolarHBondContact O-N 2.8Å | ||
| 83 | V | 28.8 | Very low | 28.1 | Very low | 129 Ų | 129 | 107.6 Ų | 107.6 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | trans | -70.1 | 102.1 | 172.7 | -174.7 | 0 | 0 | 0 | 0 | 105.7 | Q81 A85 | Q81-V83 PolarHBondContact O-N 3.18Å; V83-A85 PolarHBondContact O-N 2.9Å | ||
| 84 | S | 24.1 | Very low | 28.2 | Very low | 112 Ų | 112 | 107.5 Ų | 107.5 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | trans | -60.4 | 89.2 | 173.1 | 38.5 | 0 | 0 | 0 | 0 | 109.1 | S82 | S82-S84 PolarHBondContact O-N 2.8Š| ||
| 85 | A | 30.2 | Very low | 28.4 | Very low | 67 Ų | 67 | 109.4 Ų | 109.4 | 55% | 0.554 | 72% | 0.724 | S | S | * | * | trans | -60 | 144.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V83 F87 | V83-A85 PolarHBondContact O-N 2.9Å; A85-F87 PolarHBondContact O-N 2.7Å | ||
| 86 | P | 38.2 | Very low | 28.9 | Very low | 121 Ų | 121 | 110.6 Ų | 110.6 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -72.1 | 20.1 | -172.4 | 30.1 | -37.1 | 0 | 0 | 0 | 114.9 | ||
| 87 | F | 33.8 | Very low | 28.8 | Very low | 161 Ų | 161 | 110.6 Ų | 110.6 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | -117.6 | 67.8 | 179.9 | -63 | -72 | 0 | 0 | 0 | 111 | A85 G89 | A85-F87 PolarHBondContact O-N 2.7Å; F87-G89 PolarHBondContact O-N 3.01Å; F87-G89 VanDerWaalsContact O-N 3.16Å | ||
| 88 | A | 30.4 | Very low | 29.2 | Very low | 107 Ų | 107 | 111.4 Ų | 111.4 | 88% | 0.884 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 113.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 89 | G | 30.2 | Very low | 29.5 | Very low | 82 Ų | 82 | 112.7 Ų | 112.7 | 85% | 0.845 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.7 | -1.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | F87 D91 | F87-G89 PolarHBondContact O-N 3.01Å; F87-G89 VanDerWaalsContact O-N 3.16Å; G89-D91 VanDerWaalsContact C-N 3.34Å; G89-D91 PolarHBondContact O-N 3.21Å; G89-D91 VanDerWaalsContact O-N 3.16Å |
| 90 | A | 28.8 | Very low | 29.6 | Very low | 56 Ų | 56 | 114.2 Ų | 114.2 | 46% | 0.463 | 70% | 0.698 | S | S | . | * | trans | -85.5 | 77.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | L92 | A90-L92 PolarHBondContact O-N 3.17Š| ||
| 91 | D | 27.2 | Very low | 29.7 | Very low | 99 Ų | 99 | 113 Ų | 113 | 53% | 0.529 | 69% | 0.688 | S | S | . | * | trans | -68.3 | 93.9 | 177.4 | -167.5 | -15.6 | 0 | 0 | 0 | 110.6 | G89 S93 T94 | G89-D91 VanDerWaalsContact C-N 3.34Å; G89-D91 PolarHBondContact O-N 3.21Å; G89-D91 VanDerWaalsContact O-N 3.16Å; D91-S93 PolarHBondContact O-N 2.99Å; D91-S93 VanDerWaalsContact OD1-CB 3.25Å; D91-S93 WeakPolarHBondContact OD1-CB 3.22Å; D91-S93 PolarHBondContact OD1-N 3.13Å; D91-S93 VanDerWaalsContact OD1-N 3.11Å; D91-S93 PolarHBondContact OD1-OG 2.96Å; D91-S93 PolarHBondContact OD2-OG 3.25Å; D91-T94 PolarHBondContact O-N 3.22Å; D91-T94 VanDerWaalsContact O-N 3.1Å; D91-T94 PolarHBondContact O-OG1 2.88Å | ||
| 92 | L | 34.8 | Very low | 29.9 | Very low | 105 Ų | 105 | 108.8 Ų | 108.8 | 55% | 0.55 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -58.4 | -20.6 | -178.2 | -54.4 | -178.8 | 0 | 0 | 0 | 112.4 | A90 T94 M95 F96 | A90-L92 PolarHBondContact O-N 3.17Å; L92-T94 PolarHBondContact O-N 3.4Å; L92-M95 HydrophobicContact CD2-CE 3.26Å; L92-M95 HydrophobicContact CG-CE 4.47Å; L92-M95 PolarHBondContact O-N 3.1Å; L92-M95 VanDerWaalsContact O-N 3.16Å; L92-F96 PolarHBondContact O-N 3.14Å |
| 93 | S | 33.4 | Very low | 29.9 | Very low | 76 Ų | 76 | 106.6 Ų | 106.6 | 53% | 0.531 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -64.2 | -23.7 | 177.7 | 74.1 | 0 | 0 | 0 | 0 | 113.2 | D91 F96 | D91-S93 PolarHBondContact O-N 2.99Å; D91-S93 VanDerWaalsContact OD1-CB 3.25Å; D91-S93 WeakPolarHBondContact OD1-CB 3.22Å; D91-S93 PolarHBondContact OD1-N 3.13Å; D91-S93 VanDerWaalsContact OD1-N 3.11Å; D91-S93 PolarHBondContact OD1-OG 2.96Å; D91-S93 PolarHBondContact OD2-OG 3.25Å; S93-F96 VanDerWaalsContact O-O 3.06Å |
| 94 | T | 31.1 | Very low | 30.1 | Very low | 111 Ų | 111 | 105.4 Ų | 105.4 | 68% | 0.681 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -84 | -21.6 | 175.8 | 62.9 | 0 | 0 | 0 | 0 | 113.6 | D91 L92 | D91-T94 PolarHBondContact O-N 3.22Å; D91-T94 VanDerWaalsContact O-N 3.1Å; D91-T94 PolarHBondContact O-OG1 2.88Å; L92-T94 PolarHBondContact O-N 3.4Å |
| 95 | M | 29.2 | Very low | 30.1 | Very low | 130 Ų | 130 | 108.7 Ų | 108.7 | 64% | 0.64 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -28.1 | 175.8 | -73.5 | -164.8 | -71.4 | 0 | 0 | 112.7 | L92 | L92-M95 HydrophobicContact CD2-CE 3.26Å; L92-M95 HydrophobicContact CG-CE 4.47Å; L92-M95 PolarHBondContact O-N 3.1Å; L92-M95 VanDerWaalsContact O-N 3.16Å |
| 96 | F | 34.5 | Very low | 29.8 | Very low | 157 Ų | 157 | 108.1 Ų | 108.1 | 69% | 0.689 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -105.1 | 84.6 | 169.8 | -60.2 | -75.8 | 0 | 0 | 0 | 108.4 | L92 S93 T98 | L92-F96 PolarHBondContact O-N 3.14Å; S93-F96 VanDerWaalsContact O-O 3.06Å; F96-T98 VanDerWaalsContact C-N 3.33Å; F96-T98 PolarHBondContact O-N 2.6Å |
| 97 | Q | 25.6 | Very low | 29.2 | Very low | 172 Ų | 172 | 108 Ų | 108 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | trans | -58.6 | 100.5 | 171 | -169.9 | 176.1 | 84.9 | 0 | 0 | 108 | V99 | Q97-V99 PolarHBondContact O-N 3.28Š| ||
| 98 | T | 31.2 | Very low | 29.2 | Very low | 116 Ų | 116 | 105.1 Ų | 105.1 | 71% | 0.712 | 66% | 0.661 | S | S | * | * | trans | -62 | 103.5 | -179.6 | -56.5 | 0 | 0 | 0 | 0 | 107.4 | F96 T100 | F96-T98 VanDerWaalsContact C-N 3.33Å; F96-T98 PolarHBondContact O-N 2.6Å; T98-T100 VanDerWaalsContact C-N 3.27Å; T98-T100 PolarHBondContact O-N 3.06Å; T98-T100 PolarHBondContact O-OG1 3.09Å | ||
| 99 | V | 29.1 | Very low | 29.2 | Very low | 98 Ų | 98 | 104.3 Ų | 104.3 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | trans | -65.8 | 93.8 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 106.9 | Q97 A101 L104 | Q97-V99 PolarHBondContact O-N 3.28Å; V99-A101 PolarHBondContact O-N 3.11Å; V99-L104 HydrophobicContact CG1-CD1 4Å; V99-L104 HydrophobicContact CG1-CG 4.2Å | ||
| 100 | T | 25.8 | Very low | 29 | Very low | 101 Ų | 101 | 104.8 Ų | 104.8 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | trans | -56.9 | 125.3 | 177 | -38.5 | 0 | 0 | 0 | 0 | 107.4 | T98 S102 G103 | T98-T100 VanDerWaalsContact C-N 3.27Å; T98-T100 PolarHBondContact O-N 3.06Å; T98-T100 PolarHBondContact O-OG1 3.09Å; T100-S102 PolarHBondContact O-N 3.16Å; T100-G103 PolarHBondContact O-N 3.39Å | ||
| 101 | A | 30 | Very low | 28.9 | Very low | 81 Ų | 81 | 106.4 Ų | 106.4 | 67% | 0.669 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -53.9 | -21.2 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V99 G103 L104 | V99-A101 PolarHBondContact O-N 3.11Å; A101-G103 PolarHBondContact O-N 3.04Å; A101-L104 PolarHBondContact O-N 3.31Å |
| 102 | S | 26.8 | Very low | 29.1 | Very low | 90 Ų | 90 | 108.5 Ų | 108.5 | 63% | 0.629 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -48.5 | -33.8 | 169.1 | -28.8 | 0 | 0 | 0 | 0 | 114.5 | T100 L104 | T100-S102 PolarHBondContact O-N 3.16Å; S102-L104 VanDerWaalsContact C-N 3.3Å; S102-L104 PolarHBondContact O-N 3.38Å |
| 103 | G | 25.1 | Very low | 28.6 | Very low | 68 Ų | 68 | 109.8 Ų | 109.8 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -76 | -13.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T100 A101 | T100-G103 PolarHBondContact O-N 3.39Å; A101-G103 PolarHBondContact O-N 3.04Å |
| 104 | L | 31.7 | Very low | 28.7 | Very low | 104 Ų | 104 | 111.8 Ų | 111.8 | 55% | 0.545 | 70% | 0.698 | S | S | . | * | G | 310 helix | trans | -106 | 30.6 | -176.5 | -73.3 | 166.6 | 0 | 0 | 0 | 112.7 | V99 A101 S102 G106 | V99-L104 HydrophobicContact CG1-CD1 4Å; V99-L104 HydrophobicContact CG1-CG 4.2Å; A101-L104 PolarHBondContact O-N 3.31Å; S102-L104 VanDerWaalsContact C-N 3.3Å; S102-L104 PolarHBondContact O-N 3.38Å; L104-G106 PolarHBondContact O-N 3.3Å |
| 105 | Q | 25.2 | Very low | 28.6 | Very low | 180 Ų | 180 | 112.1 Ų | 112.1 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | trans | -67.5 | -9.1 | 170.6 | -72.2 | -169 | -3.7 | 0 | 0 | 113.6 | ||||
| 106 | G | 24.8 | Very low | 28.7 | Very low | 56 Ų | 56 | 112.5 Ų | 112.5 | 58% | 0.577 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -84.1 | 112.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L104 P108 | L104-G106 PolarHBondContact O-N 3.3Å; G106-P108 WeakPolarHBondContact O-CD 3.11Å |
| 107 | T | 25.5 | Very low | 28.4 | Very low | 117 Ų | 117 | 115 Ų | 115 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | trans | -52 | 118.5 | 177.7 | 13.5 | 0 | 0 | 0 | 0 | 111.5 | A109 | T107-A109 PolarHBondContact O-N 3.17Š| ||
| 108 | P | 33 | Very low | 28.7 | Very low | 102 Ų | 102 | 111.3 Ų | 111.3 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 7.9 | -173.2 | 27.5 | -35.2 | 0 | 0 | 0 | 114.8 | G106 | G106-P108 WeakPolarHBondContact O-CD 3.11Š|
| 109 | A | 30.5 | Very low | 29 | Very low | 90 Ų | 90 | 110 Ų | 110 | 74% | 0.744 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -23 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T107 | T107-A109 PolarHBondContact O-N 3.17Š|
| 110 | A | 26.5 | Very low | 29 | Very low | 92 Ų | 92 | 111 Ų | 111 | 76% | 0.76 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -84 | -23.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 111 | A | 26.1 | Very low | 29.5 | Very low | 90 Ų | 90 | 110.7 Ų | 110.7 | 74% | 0.744 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -94.3 | -0.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 112 | L | 30.3 | Very low | 29.9 | Very low | 143 Ų | 143 | 111.8 Ų | 111.8 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | trans | -116.7 | 70.5 | -177.4 | -65.8 | 176.3 | 0 | 0 | 0 | 110.8 | P114 | L112-P114 WeakPolarHBondContact O-CD 3.37Š| ||
| 113 | T | 25.2 | Very low | 30.2 | Very low | 132 Ų | 132 | 110.7 Ų | 110.7 | 81% | 0.81 | 70% | 0.699 | S | S | * | * | trans | -61.6 | 107.7 | 167.8 | 26.1 | 0 | 0 | 0 | 0 | 110.1 | S115 | T113-S115 PolarHBondContact O-N 3.29Å; T113-S115 VanDerWaalsContact O-N 3.15Å | ||
| 114 | P | 35.8 | Very low | 30.4 | Very low | 118 Ų | 118 | 109.6 Ų | 109.6 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | trans | -93.5 | 83.7 | -164.3 | 35.1 | -30 | 0 | 0 | 0 | 110.9 | L112 | L112-P114 WeakPolarHBondContact O-CD 3.37Š| ||
| 115 | S | 28.5 | Very low | 30.5 | Very low | 117 Ų | 117 | 111 Ų | 111 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | -140 | -3.7 | 174 | -156.2 | 0 | 0 | 0 | 0 | 115.1 | T113 | T113-S115 PolarHBondContact O-N 3.29Å; T113-S115 VanDerWaalsContact O-N 3.15Å | ||
| 116 | I | 31.5 | Very low | 30.9 | Very low | 138 Ų | 138 | 110 Ų | 110 | 71% | 0.708 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -108.3 | 99.6 | 175.5 | -54.1 | 178.1 | 0 | 0 | 0 | 108.4 | N118 | I116-N118 PolarHBondContact O-N 3.2Š|
| 117 | Y | 28.3 | Very low | 31.2 | Very low | 211 Ų | 211 | 113.7 Ų | 113.7 | 83% | 0.827 | 69% | 0.687 | S | S | * | * | trans | 43 | 74 | 163.3 | -151.8 | -92.9 | 0 | 0 | 0 | 115 | P119 | Y117-P119 WeakPolarHBondContact O-CD 3.46Š| ||
| 118 | N | 31 | Very low | 31.7 | Very low | 94 Ų | 94 | 112.4 Ų | 112.4 | 50% | 0.503 | 69% | 0.689 | S | S | . | * | trans | -86.3 | 103.7 | 171.2 | -172.2 | 5.4 | 0 | 0 | 0 | 109.7 | I116 Y120 | I116-N118 PolarHBondContact O-N 3.2Å; N118-Y120 PolarHBondContact ND2-O 2.76Å; N118-Y120 PolarHBondContact O-N 3.04Å; N118-Y120 WeakPolarHBondContact OD1-CB 3.34Å; N118-Y120 PolarHBondContact OD1-N 3.45Å; N118-Y120 VanDerWaalsContact OD1-N 3.15Å; N118-Y120 PolarHBondContact OD1-O 3.03Å; N118-Y120 VanDerWaalsContact OD1-O 3.05Å | ||
| 119 | P | 37.9 | Very low | 31.6 | Very low | 88 Ų | 88 | 112.2 Ų | 112.2 | 57% | 0.571 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -68.9 | -9.7 | 177.6 | 31.2 | -37.2 | 0 | 0 | 0 | 112.6 | Y117 | Y117-P119 WeakPolarHBondContact O-CD 3.46Š|
| 120 | Y | 30.4 | Very low | 31.6 | Very low | 119 Ų | 119 | 112 Ų | 112 | 47% | 0.467 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -101.1 | 106.5 | 173.7 | -53.8 | -67.3 | 0 | 0 | 0 | 108.8 | N118 A122 W125 | N118-Y120 PolarHBondContact ND2-O 2.76Å; N118-Y120 PolarHBondContact O-N 3.04Å; N118-Y120 WeakPolarHBondContact OD1-CB 3.34Å; N118-Y120 PolarHBondContact OD1-N 3.45Å; N118-Y120 VanDerWaalsContact OD1-N 3.15Å; N118-Y120 PolarHBondContact OD1-O 3.03Å; N118-Y120 VanDerWaalsContact OD1-O 3.05Å; Y120-A122 PolarHBondContact O-N 2.84Å; Y120-A122 VanDerWaalsContact O-N 3.14Å; Y120-W125 HydrophobicContact CD1-CB 4.24Å; Y120-W125 AromaticContact CD1-CD2 3.6Å; Y120-W125 HydrophobicContact CD1-CD2 3.6Å; Y120-W125 AromaticContact CD1-CE3 3.45Å; Y120-W125 HydrophobicContact CD1-CE3 3.45Å; Y120-W125 VanDerWaalsContact CD1-CE3 3.45Å; Y120-W125 AromaticContact CD1-CG 3.98Å; Y120-W125 HydrophobicContact CD1-CG 3.98Å; Y120-W125 AromaticContact CD1-CZ3 3.98Å; Y120-W125 HydrophobicContact CD1-CZ3 3.98Å; Y120-W125 HydrophobicContact CE1-CD2 4.05Å; Y120-W125 AromaticContact CE1-CE3 3.41Å; Y120-W125 HydrophobicContact CE1-CE3 3.41Å; Y120-W125 VanDerWaalsContact CE1-CE3 3.41Å; Y120-W125 HydrophobicContact CE1-CH2 4.25Å; Y120-W125 AromaticContact CE1-CZ3 3.54Å; Y120-W125 HydrophobicContact CE1-CZ3 3.54Å |
| 121 | P | 34.7 | Very low | 31.9 | Very low | 95 Ų | 95 | 111.5 Ų | 111.5 | 62% | 0.617 | 68% | 0.679 | S | S | * | * | trans | -54.1 | 127.2 | 175.8 | 21.5 | -31.8 | 0 | 0 | 0 | 109.7 | G123 | P121-G123 PolarHBondContact O-N 3.36Š| ||
| 122 | A | 39.2 | Very low | 32.3 | Very low | 103 Ų | 103 | 112.2 Ų | 112.2 | 85% | 0.851 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 106.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y120 | Y120-A122 PolarHBondContact O-N 2.84Å; Y120-A122 VanDerWaalsContact O-N 3.14Å |
| 123 | G | 32.6 | Very low | 32.3 | Very low | 68 Ų | 68 | 112 Ų | 112 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.3 | 5.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | P121 | P121-G123 PolarHBondContact O-N 3.36Š|
| 124 | G | 30.4 | Very low | 32.7 | Very low | 44 Ų | 44 | 110.4 Ų | 110.4 | 45% | 0.454 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -155.4 | -19.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||
| 125 | W | 34 | Very low | 32.5 | Very low | 133 Ų | 133 | 106.2 Ų | 106.2 | 50% | 0.504 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -86.5 | -32.7 | -171.2 | -90.7 | 59 | 0 | 0 | 0 | 115.7 | Y120 W151 I158 | Y120-W125 HydrophobicContact CD1-CB 4.24Å; Y120-W125 AromaticContact CD1-CD2 3.6Å; Y120-W125 HydrophobicContact CD1-CD2 3.6Å; Y120-W125 AromaticContact CD1-CE3 3.45Å; Y120-W125 HydrophobicContact CD1-CE3 3.45Å; Y120-W125 VanDerWaalsContact CD1-CE3 3.45Å; Y120-W125 AromaticContact CD1-CG 3.98Å; Y120-W125 HydrophobicContact CD1-CG 3.98Å; Y120-W125 AromaticContact CD1-CZ3 3.98Å; Y120-W125 HydrophobicContact CD1-CZ3 3.98Å; Y120-W125 HydrophobicContact CE1-CD2 4.05Å; Y120-W125 AromaticContact CE1-CE3 3.41Å; Y120-W125 HydrophobicContact CE1-CE3 3.41Å; Y120-W125 VanDerWaalsContact CE1-CE3 3.41Å; Y120-W125 HydrophobicContact CE1-CH2 4.25Å; Y120-W125 AromaticContact CE1-CZ3 3.54Å; Y120-W125 HydrophobicContact CE1-CZ3 3.54Å; W125-W151 HydrophobicContact CZ2-CB 4.28Å; W125-I158 HydrophobicContact CZ2-CD1 4.41Å |
| 126 | L | 33.3 | Very low | 33 | Very low | 161 Ų | 161 | 107.6 Ų | 107.6 | 84% | 0.843 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -117.2 | 1.8 | -177.8 | -66.9 | 178.3 | 0 | 0 | 0 | 113.5 | A128 | L126-A128 PolarHBondContact O-N 3.16Š|
| 127 | Q | 30.1 | Very low | 33.2 | Very low | 132 Ų | 132 | 103.4 Ų | 103.4 | 62% | 0.617 | 64% | 0.637 | S | S | * | * | trans | -71.5 | 103.3 | 165.3 | -157.1 | 172.8 | -1.3 | 0 | 0 | 106.3 | S129 | Q127-S129 PolarHBondContact O-N 3.16Å; Q127-S129 PolarHBondContact O-OG 3.43Å | ||
| 128 | A | 35.8 | Very low | 34 | Very low | 91 Ų | 91 | 95.3 Ų | 95.3 | 75% | 0.752 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -66.8 | 17.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L126 | L126-A128 PolarHBondContact O-N 3.16Š|
| 129 | S | 30.6 | Very low | 34.7 | Very low | 98 Ų | 98 | 97.7 Ų | 97.7 | 69% | 0.685 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -85.5 | -2.6 | -176.8 | 44.1 | 0 | 0 | 0 | 0 | 114.6 | Q127 | Q127-S129 PolarHBondContact O-N 3.16Å; Q127-S129 PolarHBondContact O-OG 3.43Å |
| 130 | S | 32.2 | Very low | 34.9 | Very low | 86 Ų | 86 | 95.6 Ų | 95.6 | 60% | 0.601 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -119.4 | 40.9 | 164.3 | 56.2 | 0 | 0 | 0 | 0 | 112 | H132 | S130-H132 PolarHBondContact O-N 3.37Š|
| 131 | A | 32.4 | Very low | 35.6 | Very low | 80 Ų | 80 | 98 Ų | 98 | 66% | 0.661 | 62% | 0.622 | S | S | * | * | trans | -53 | 94.3 | 140.6 | 0 | 0 | 0 | 0 | 0 | 107 | T133 | A131-T133 PolarHBondContact O-N 2.9Š| ||
| 132 | H | 33.5 | Very low | 36 | Very low | 106 Ų | 106 | 100.2 Ų | 100.2 | 49% | 0.491 | 62% | 0.618 | S | S | . | * | trans | -59.3 | 113.1 | 177.9 | 36.8 | -87.1 | 0 | 0 | 0 | 106.5 | S130 V134 L144 | S130-H132 PolarHBondContact O-N 3.37Å; H132-V134 PolarHBondContact O-N 3.23Å; H132-L144 PolarHBondContact NE2-O 3.44Å | ||
| 133 | T | 31.9 | Very low | 36.2 | Very low | 138 Ų | 138 | 100.3 Ų | 100.3 | 85% | 0.847 | 60% | 0.601 | S | S | * | * | trans | -52 | 113.1 | 175.9 | -51.1 | 0 | 0 | 0 | 0 | 106.9 | A131 G135 | A131-T133 PolarHBondContact O-N 2.9Å; T133-G135 PolarHBondContact O-N 3.03Å | ||
| 134 | V | 33.3 | Very low | 36.8 | Very low | 98 Ų | 98 | 99.4 Ų | 99.4 | 59% | 0.594 | 58% | 0.58 | S | S | * | * | trans | -70.7 | 79.7 | 175.4 | -178.2 | 0 | 0 | 0 | 0 | 106.3 | H132 L144 | H132-V134 PolarHBondContact O-N 3.23Å; V134-L144 HydrophobicContact CG1-CD2 4.07Å; V134-L144 HydrophobicContact CG2-CD2 4.19Å | ||
| 135 | G | 30.6 | Very low | 37.5 | Very low | 31 Ų | 31 | 101 Ų | 101 | 32% | 0.32 | 58% | 0.575 | S | S | . | * | trans | -60.1 | 140.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | T133 G137 A138 | T133-G135 PolarHBondContact O-N 3.03Å; G135-G137 PolarHBondContact O-N 3.35Å; G135-A138 PolarHBondContact O-N 2.99Å; G135-A138 VanDerWaalsContact O-N 3.14Å | ||
| 136 | P | 39.4 | Very low | 38 | Very low | 145 Ų | 145 | 94.9 Ų | 94.9 | 94% | 0.942 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 15.7 | -172.8 | 27.1 | -35.7 | 0 | 0 | 0 | 115.2 | ||
| 137 | G | 36 | Very low | 38.5 | Very low | 51 Ų | 51 | 89.9 Ų | 89.9 | 53% | 0.526 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | -0.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G135 N139 | G135-G137 PolarHBondContact O-N 3.35Å; G137-N139 PolarHBondContact O-N 2.92Å; G137-N139 PolarHBondContact O-ND2 3.4Å |
| 138 | A | 44.7 | Very low | 39.1 | Very low | 40 Ų | 40 | 89.8 Ų | 89.8 | 33% | 0.331 | 55% | 0.549 | S | S | . | . | trans | -78.5 | 110.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | G135 E143 L144 | G135-A138 PolarHBondContact O-N 2.99Å; G135-A138 VanDerWaalsContact O-N 3.14Å; A138-E143 HydrophobicContact CB-CB 4.42Å; A138-L144 HydrophobicContact CB-CD2 3.85Å; A138-L144 HydrophobicContact CB-CG 4.4Å | ||
| 139 | N | 45.3 | Very low | 39.5 | Very low | 144 Ų | 144 | 86.7 Ų | 86.7 | 77% | 0.77 | 52% | 0.522 | S | S | * | . | trans | -106.9 | -6.8 | -168.2 | -67.9 | -57.4 | 0 | 0 | 0 | 113.6 | G137 E143 | G137-N139 PolarHBondContact O-N 2.92Å; G137-N139 PolarHBondContact O-ND2 3.4Å; N139-E143 PolarHBondContact N-OE2 2.93Å | ||
| 140 | S | 43.4 | Very low | 40.1 | Very low | 45 Ų | 45 | 86.4 Ų | 86.4 | 32% | 0.315 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -129.4 | 145.7 | -177.8 | 70 | 0 | 0 | 0 | 0 | 112.8 | W142 E143 L144 | S140-W142 PolarHBondContact O-N 2.89Å; S140-W142 VanDerWaalsContact O-N 3.12Å; S140-E143 WeakPolarHBondContact CB-OE2 3.43Å; S140-E143 PolarHBondContact N-OE2 3.1Å; S140-E143 PolarHBondContact O-N 3.38Å; S140-E143 VanDerWaalsContact OG-CG 3.26Å; S140-E143 WeakPolarHBondContact OG-CG 3.46Å; S140-E143 PolarHBondContact OG-N 3.41Å; S140-E143 VanDerWaalsContact OG-N 3.12Å; S140-E143 PolarHBondContact OG-OE2 3.11Å; S140-L144 PolarHBondContact O-N 3.23Å |
| 141 | W | 44.7 | Very low | 40.5 | Very low | 168 Ų | 168 | 87.8 Ų | 87.8 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -53.7 | -29.4 | 169.4 | -175.5 | 90.5 | 0 | 0 | 0 | 112.1 | L144 H145 | W141-L144 PolarHBondContact O-N 3Å; W141-H145 AromaticContact CD1-CD2 3.32Å; W141-H145 AromaticContact CD1-NE2 3.78Å; W141-H145 HydrophobicContact CD2-CB 4.35Å; W141-H145 AromaticContact CD2-CD2 3.8Å; W141-H145 AromaticContact CE2-CD2 3.49Å; W141-H145 VanDerWaalsContact CE2-CD2 3.49Å; W141-H145 AromaticContact CE2-CG 4Å; W141-H145 AromaticContact CG-CD2 3.7Å; W141-H145 HydrophobicContact CH2-CB 4.23Å; W141-H145 HydrophobicContact CZ2-CB 4.05Å; W141-H145 HydrophobicContact CZ3-CB 4.47Å; W141-H145 AromaticContact NE1-CD2 3.17Å; W141-H145 PolarHBondContact NE1-CD2 2.79Å; W141-H145 AromaticContact NE1-NE2 3.67Å; W141-H145 WeakPolarHBondContact O-CB 3.35Å; W141-H145 PolarHBondContact O-CD2 2.97Å; W141-H145 VanDerWaalsContact O-CD2 3.27Å; W141-H145 PolarHBondContact O-N 2.88Å |
| 142 | W | 41.8 | Very low | 41 | Very low | 142 Ų | 142 | 85.9 Ų | 85.9 | 54% | 0.538 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.7 | -34.3 | 177.4 | -167.9 | -106.6 | 0 | 0 | 0 | 113.5 | S140 L144 G146 G147 L152 | S140-W142 PolarHBondContact O-N 2.89Å; S140-W142 VanDerWaalsContact O-N 3.12Å; W142-L144 VanDerWaalsContact C-N 3.33Å; W142-G146 CarbonylContact O-C 3.41Å; W142-G146 WeakPolarHBondContact O-CA 3.41Å; W142-G146 PolarHBondContact O-N 2.95Å; W142-G147 PolarHBondContact O-N 3.45Å; W142-L152 HydrophobicContact CH2-CD1 3.37Å; W142-L152 HydrophobicContact CH2-CD2 4.11Å; W142-L152 HydrophobicContact CH2-CG 4.37Å; W142-L152 HydrophobicContact CZ2-CD1 3.99Å; W142-L152 HydrophobicContact CZ3-CD1 3.95Å |
| 143 | E | 45.2 | Very low | 41.5 | Very low | 105 Ų | 105 | 84.5 Ų | 84.5 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.6 | -37.2 | 170.5 | -71.9 | 154.1 | 148.6 | 0 | 0 | 111.2 | A138 N139 S140 | A138-E143 HydrophobicContact CB-CB 4.42Å; N139-E143 PolarHBondContact N-OE2 2.93Å; S140-E143 WeakPolarHBondContact CB-OE2 3.43Å; S140-E143 PolarHBondContact N-OE2 3.1Å; S140-E143 PolarHBondContact O-N 3.38Å; S140-E143 VanDerWaalsContact OG-CG 3.26Å; S140-E143 WeakPolarHBondContact OG-CG 3.46Å; S140-E143 PolarHBondContact OG-N 3.41Å; S140-E143 VanDerWaalsContact OG-N 3.12Å; S140-E143 PolarHBondContact OG-OE2 3.11Å |
| 144 | L | 44.5 | Very low | 42.1 | Very low | 49 Ų | 49 | 82.8 Ų | 82.8 | 26% | 0.257 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -73.5 | -33 | 179.9 | -64.1 | 170.4 | 0 | 0 | 0 | 113.7 | H132 V134 A138 S140 W141 W142 | H132-L144 PolarHBondContact NE2-O 3.44Å; V134-L144 HydrophobicContact CG1-CD2 4.07Å; V134-L144 HydrophobicContact CG2-CD2 4.19Å; A138-L144 HydrophobicContact CB-CD2 3.85Å; A138-L144 HydrophobicContact CB-CG 4.4Å; S140-L144 PolarHBondContact O-N 3.23Å; W141-L144 PolarHBondContact O-N 3Å; W142-L144 VanDerWaalsContact C-N 3.33Å |
| 145 | H | 45.2 | Very low | 42.4 | Very low | 78 Ų | 78 | 82.5 Ų | 82.5 | 36% | 0.361 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -130.1 | -11.5 | -169.8 | -56.5 | -66.4 | 0 | 0 | 0 | 115.5 | W141 S149 | W141-H145 AromaticContact CD1-CD2 3.32Å; W141-H145 AromaticContact CD1-NE2 3.78Å; W141-H145 HydrophobicContact CD2-CB 4.35Å; W141-H145 AromaticContact CD2-CD2 3.8Å; W141-H145 AromaticContact CE2-CD2 3.49Å; W141-H145 VanDerWaalsContact CE2-CD2 3.49Å; W141-H145 AromaticContact CE2-CG 4Å; W141-H145 AromaticContact CG-CD2 3.7Å; W141-H145 HydrophobicContact CH2-CB 4.23Å; W141-H145 HydrophobicContact CZ2-CB 4.05Å; W141-H145 HydrophobicContact CZ3-CB 4.47Å; W141-H145 AromaticContact NE1-CD2 3.17Å; W141-H145 PolarHBondContact NE1-CD2 2.79Å; W141-H145 AromaticContact NE1-NE2 3.67Å; W141-H145 WeakPolarHBondContact O-CB 3.35Å; W141-H145 PolarHBondContact O-CD2 2.97Å; W141-H145 VanDerWaalsContact O-CD2 3.27Å; W141-H145 PolarHBondContact O-N 2.88Å; H145-S149 WeakPolarHBondContact O-CB 3.35Å; H145-S149 PolarHBondContact O-OG 3.07Å |
| 146 | G | 44.7 | Very low | 42.7 | Very low | 4 Ų | 4 | 81.5 Ų | 81.5 | 4% | 0.041 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -40.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | W142 T148 L152 | W142-G146 CarbonylContact O-C 3.41Å; W142-G146 WeakPolarHBondContact O-CA 3.41Å; W142-G146 PolarHBondContact O-N 2.95Å; G146-T148 PolarHBondContact O-N 2.94Å; G146-L152 VanDerWaalsContact O-CD1 3.23Å; G146-L152 WeakPolarHBondContact O-CD1 3.34Å |
| 147 | G | 42.6 | Very low | 42.9 | Very low | 56 Ų | 56 | 79.2 Ų | 79.2 | 58% | 0.577 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -64.4 | -38.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | W142 | W142-G147 PolarHBondContact O-N 3.45Š|
| 148 | T | 42.9 | Very low | 43 | Very low | 131 Ų | 131 | 81.1 Ų | 81.1 | 80% | 0.804 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -123.6 | 9.8 | -176.4 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | G146 P150 | G146-T148 PolarHBondContact O-N 2.94Å; T148-P150 VanDerWaalsContact O-CD 3.29Å; T148-P150 WeakPolarHBondContact O-CD 3.23Å |
| 149 | S | 44.1 | Very low | 42.4 | Very low | 25 Ų | 25 | 84.9 Ų | 84.9 | 18% | 0.175 | 46% | 0.457 | C | S | . | . | trans | -63.4 | 116.3 | -178 | -105.4 | 0 | 0 | 0 | 0 | 111.1 | H145 W151 L152 | H145-S149 WeakPolarHBondContact O-CB 3.35Å; H145-S149 PolarHBondContact O-OG 3.07Å; S149-W151 PolarHBondContact O-N 3.45Å; S149-W151 PolarHBondContact OG-NE1 2.65Å; S149-L152 PolarHBondContact O-N 3.41Å | ||
| 150 | P | 44.2 | Very low | 42 | Very low | 93 Ų | 93 | 79.8 Ų | 79.8 | 60% | 0.604 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -10.1 | -173.1 | -25.1 | 35.2 | 0 | 0 | 0 | 115.7 | T148 S156 | T148-P150 VanDerWaalsContact O-CD 3.29Å; T148-P150 WeakPolarHBondContact O-CD 3.23Å; P150-S156 WeakPolarHBondContact O-CB 3.15Å; P150-S156 PolarHBondContact O-OG 3.47Å |
| 151 | W | 41.2 | Very low | 41.8 | Very low | 114 Ų | 114 | 80.3 Ų | 80.3 | 43% | 0.432 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -13.7 | 174.2 | 60.3 | -87 | 0 | 0 | 0 | 113.4 | W125 S149 I158 | W125-W151 HydrophobicContact CZ2-CB 4.28Å; S149-W151 PolarHBondContact O-N 3.45Å; S149-W151 PolarHBondContact OG-NE1 2.65Å; W151-I158 HydrophobicContact CB-CD1 3.91Å |
| 152 | L | 42.5 | Very low | 41.3 | Very low | 41 Ų | 41 | 75 Ų | 75 | 22% | 0.215 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -25.8 | 176.6 | -77.7 | 167.2 | 0 | 0 | 0 | 113.6 | W142 G146 S149 S154 R159 | W142-L152 HydrophobicContact CH2-CD1 3.37Å; W142-L152 HydrophobicContact CH2-CD2 4.11Å; W142-L152 HydrophobicContact CH2-CG 4.37Å; W142-L152 HydrophobicContact CZ2-CD1 3.99Å; W142-L152 HydrophobicContact CZ3-CD1 3.95Å; G146-L152 VanDerWaalsContact O-CD1 3.23Å; G146-L152 WeakPolarHBondContact O-CD1 3.34Å; S149-L152 PolarHBondContact O-N 3.41Å; L152-S154 PolarHBondContact O-N 3.16Å; L152-R159 PolarHBondContact O-NH2 2.89Å; L152-R159 VanDerWaalsContact O-NH2 3.08Å |
| 153 | D | 43.8 | Very low | 41 | Very low | 76 Ų | 76 | 74.4 Ų | 74.4 | 41% | 0.406 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -48.3 | 136.3 | 174.2 | -173.3 | -5.5 | 0 | 0 | 0 | 110.7 | S155 S156 | D153-S155 PolarHBondContact O-N 2.81Å; D153-S155 PolarHBondContact OD1-N 3.49Å; D153-S155 PolarHBondContact OD1-OG 3.04Å; D153-S155 PolarHBondContact OD2-OG 3.12Å; D153-S156 WeakPolarHBondContact O-CB 3.2Å; D153-S156 PolarHBondContact O-N 3.35Å; D153-S156 VanDerWaalsContact O-N 3.07Å |
| 154 | S | 43.5 | Very low | 40.4 | Very low | 103 Ų | 103 | 77 Ų | 77 | 72% | 0.72 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.4 | 175 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | L152 S156 | L152-S154 PolarHBondContact O-N 3.16Å; S154-S156 PolarHBondContact O-N 3.23Å |
| 155 | S | 40.4 | Very low | 39.9 | Very low | 92 Ų | 92 | 81.9 Ų | 81.9 | 64% | 0.643 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -15 | 171.9 | 85.2 | 0 | 0 | 0 | 0 | 113.5 | D153 | D153-S155 PolarHBondContact O-N 2.81Å; D153-S155 PolarHBondContact OD1-N 3.49Å; D153-S155 PolarHBondContact OD1-OG 3.04Å; D153-S155 PolarHBondContact OD2-OG 3.12Å |
| 156 | S | 37.4 | Very low | 39.3 | Very low | 10 Ų | 10 | 86 Ų | 86 | 7% | 0.07 | 49% | 0.488 | C | S | . | . | trans | -66.6 | 127.5 | -172 | -161.8 | 0 | 0 | 0 | 0 | 111.7 | P150 D153 S154 I158 R159 A160 | P150-S156 WeakPolarHBondContact O-CB 3.15Å; P150-S156 PolarHBondContact O-OG 3.47Å; D153-S156 WeakPolarHBondContact O-CB 3.2Å; D153-S156 PolarHBondContact O-N 3.35Å; D153-S156 VanDerWaalsContact O-N 3.07Å; S154-S156 PolarHBondContact O-N 3.23Å; S156-I158 PolarHBondContact O-N 3.41Å; S156-R159 PolarHBondContact O-N 2.66Å; S156-A160 PolarHBondContact O-N 2.97Å | ||
| 157 | P | 41.9 | Very low | 38.4 | Very low | 97 Ų | 97 | 93.2 Ų | 93.2 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -17.1 | 178.9 | 25.8 | -34.6 | 0 | 0 | 0 | 112.7 | R159 A160 A161 | P157-R159 VanDerWaalsContact C-N 3.34Å; P157-A160 PolarHBondContact O-N 3.5Å; P157-A161 WeakPolarHBondContact O-CB 3.04Å; P157-A161 PolarHBondContact O-N 2.89Å |
| 158 | I | 38.1 | Very low | 37.7 | Very low | 90 Ų | 90 | 101 Ų | 101 | 46% | 0.462 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 172.1 | -59.7 | 173.3 | 0 | 0 | 0 | 110.8 | W125 W151 S156 A162 | W125-I158 HydrophobicContact CZ2-CD1 4.41Å; W151-I158 HydrophobicContact CB-CD1 3.91Å; S156-I158 PolarHBondContact O-N 3.41Å; I158-A162 PolarHBondContact O-N 2.9Å |
| 159 | R | 32.8 | Very low | 37.3 | Very low | 119 Ų | 119 | 100.3 Ų | 100.3 | 45% | 0.449 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72.7 | -36.3 | 176.7 | -169.1 | -179 | -71.2 | -98.6 | 6.6 | 111.4 | L152 S156 P157 A162 Q163 | L152-R159 PolarHBondContact O-NH2 2.89Å; L152-R159 VanDerWaalsContact O-NH2 3.08Å; S156-R159 PolarHBondContact O-N 2.66Å; P157-R159 VanDerWaalsContact C-N 3.34Å; R159-A162 PolarHBondContact O-N 3.08Å; R159-Q163 WeakPolarHBondContact O-CG 3.42Å; R159-Q163 PolarHBondContact O-N 3.02Å; R159-Q163 VanDerWaalsContact O-N 3.11Å |
| 160 | A | 37 | Very low | 36.5 | Very low | 37 Ų | 37 | 107 Ų | 107 | 31% | 0.306 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.3 | -46.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | S156 P157 A162 Q163 F164 | S156-A160 PolarHBondContact O-N 2.97Å; P157-A160 PolarHBondContact O-N 3.5Å; A160-A162 VanDerWaalsContact C-N 3.26Å; A160-A162 PolarHBondContact O-N 2.83Å; A160-Q163 WeakPolarHBondContact O-CB 3.26Å; A160-Q163 PolarHBondContact O-N 3.49Å; A160-F164 WeakPolarHBondContact O-CD2 2.97Å; A160-F164 PolarHBondContact O-N 3.36Å |
| 161 | A | 38.5 | Very low | 35.7 | Very low | 56 Ų | 56 | 109.2 Ų | 109.2 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.2 | -31.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P157 H165 | P157-A161 WeakPolarHBondContact O-CB 3.04Å; P157-A161 PolarHBondContact O-N 2.89Å; A161-H165 PolarHBondContact O-ND1 2.77Å |
| 162 | A | 34.8 | Very low | 35 | Very low | 57 Ų | 57 | 112.7 Ų | 112.7 | 47% | 0.471 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.2 | -29.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I158 R159 A160 | I158-A162 PolarHBondContact O-N 2.9Å; R159-A162 PolarHBondContact O-N 3.08Å; A160-A162 VanDerWaalsContact C-N 3.26Å; A160-A162 PolarHBondContact O-N 2.83Å |
| 163 | Q | 35.3 | Very low | 34.6 | Very low | 129 Ų | 129 | 114.2 Ų | 114.2 | 60% | 0.603 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.1 | -33.2 | 175.2 | -70.7 | 170.6 | -15 | 0 | 0 | 112.6 | R159 A160 H165 | R159-Q163 WeakPolarHBondContact O-CG 3.42Å; R159-Q163 PolarHBondContact O-N 3.02Å; R159-Q163 VanDerWaalsContact O-N 3.11Å; A160-Q163 WeakPolarHBondContact O-CB 3.26Å; A160-Q163 PolarHBondContact O-N 3.49Å; Q163-H165 PolarHBondContact O-N 2.92Å |
| 164 | F | 33.9 | Very low | 33.7 | Very low | 161 Ų | 161 | 118.1 Ų | 118.1 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -71.6 | -10.7 | 178.2 | -69.8 | -67.7 | 0 | 0 | 0 | 114.5 | A160 H166 | A160-F164 WeakPolarHBondContact O-CD2 2.97Å; A160-F164 PolarHBondContact O-N 3.36Å; F164-H166 PolarHBondContact O-N 2.99Å |
| 165 | H | 33.5 | Very low | 33 | Very low | 151 Ų | 151 | 119.6 Ų | 119.6 | 70% | 0.699 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -69 | -7.9 | 177.7 | -98.6 | 88 | 0 | 0 | 0 | 115.3 | A161 Q163 | A161-H165 PolarHBondContact O-ND1 2.77Å; Q163-H165 PolarHBondContact O-N 2.92Å |
| 166 | H | 32.2 | Very low | 32.5 | Very low | 165 Ų | 165 | 123.1 Ų | 123.1 | 76% | 0.764 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -114.7 | 19.9 | -173 | -78.2 | -69.3 | 0 | 0 | 0 | 115.9 | F164 | F164-H166 PolarHBondContact O-N 2.99Š|
| 167 | H | 26.6 | Very low | 31.9 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 72% | 0.718 | 68% | 0.676 | S | S | * | * | trans | -130.6 | 73 | 173.2 | -64.6 | 94.9 | 0 | 0 | 0 | 112.4 | P169 | H167-P169 WeakPolarHBondContact O-CD 3.26Š| ||
| 168 | Y | 28 | Very low | 31.4 | Very low | 219 Ų | 219 | 135.9 Ų | 135.9 | 86% | 0.859 | 68% | 0.684 | S | S | * | * | trans | -87.1 | 98.3 | 149.5 | -85.4 | -83.2 | 0 | 0 | 0 | 108 | H170 | Y168-H170 PolarHBondContact O-N 2.89Š| ||
| 169 | P | 34 | Very low | 30.9 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 69% | 0.686 | S | S | * | * | trans | -64.1 | 122.1 | 169.2 | 26.8 | -32.7 | 0 | 0 | 0 | 108.9 | H167 H171 | H167-P169 WeakPolarHBondContact O-CD 3.26Å; P169-H171 PolarHBondContact O-N 3.17Å | ||
| 170 | H | 26.3 | Very low | 30.9 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | trans | -57.9 | 127.9 | 173.7 | -100.6 | -87.8 | 0 | 0 | 0 | 110.2 | Y168 | Y168-H170 PolarHBondContact O-N 2.89Š| ||
| 171 | H | 27 | Very low | 30.7 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 64% | 0.644 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 45.5 | 118 | 160.9 | -50.7 | -71.8 | 0 | 0 | 0 | 118.5 | P169 | P169-H171 PolarHBondContact O-N 3.17Š|
| 172 | H | 28 | Very low | 30.4 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | 141.5 | 110.3 | 123.5 | -71.3 | -65.9 | 0 | 0 | 0 | 111.4 | |||||
| 173 | G | 33.6 | Very low | 30.1 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 72% | 0.716 | S | S | * | * | trans | 61.2 | 62.2 | 144.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 174 | N | 24.9 | Very low | 29.9 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 84% | 0.84 | 71% | 0.709 | S | S | * | * | -155.1 | 126.8 | 127.6 | -108 | -23.1 | 0 | 0 | 0 | 111.2 | M176 | N174-M176 VanDerWaalsContact C-N 3.32Å; N174-M176 PolarHBondContact O-N 3.27Å | |||
| 175 | V | 27.8 | Very low | 30 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -71.7 | 95.4 | 166.8 | 178.2 | 0 | 0 | 0 | 0 | 105.9 | E177 | V175-E177 PolarHBondContact O-N 2.92Š| ||
| 176 | M | 30.3 | Very low | 29.9 | Very low | 165 Ų | 165 | 124.2 Ų | 124.2 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | trans | -64.6 | 92.5 | 158.4 | -78.5 | -75.1 | -77.1 | 0 | 0 | 106.1 | N174 Y178 | N174-M176 VanDerWaalsContact C-N 3.32Å; N174-M176 PolarHBondContact O-N 3.27Å; M176-Y178 PolarHBondContact O-N 3.43Å | ||
| 177 | E | 24.4 | Very low | 29.8 | Very low | 170 Ų | 170 | 120.8 Ų | 120.8 | 79% | 0.794 | 69% | 0.689 | S | S | * | * | trans | -48.8 | 113 | 177.4 | -171.6 | 172.2 | -170.1 | 0 | 0 | 108.5 | V175 G179 | V175-E177 PolarHBondContact O-N 2.92Å; E177-G179 PolarHBondContact O-N 2.95Å | ||
| 178 | Y | 31.9 | Very low | 29.9 | Very low | 205 Ų | 205 | 120 Ų | 120 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | -68.6 | 79 | 172.6 | -80.2 | -91.2 | 0 | 0 | 0 | 107.8 | M176 S180 | M176-Y178 PolarHBondContact O-N 3.43Å; Y178-S180 PolarHBondContact O-N 2.87Å | ||
| 179 | G | 27.4 | Very low | 30.2 | Very low | 50 Ų | 50 | 113.1 Ų | 113.1 | 52% | 0.515 | 67% | 0.667 | S | S | . | * | trans | -51.1 | 106.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E177 A181 | E177-G179 PolarHBondContact O-N 2.95Å; G179-A181 PolarHBondContact O-N 3.4Å | ||
| 180 | S | 32.8 | Very low | 30.2 | Very low | 101 Ų | 101 | 112.6 Ų | 112.6 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 50.5 | -28.8 | 169.3 | 58.8 | 0 | 0 | 0 | 0 | 120.3 | Y178 A184 | Y178-S180 PolarHBondContact O-N 2.87Å; S180-A184 WeakPolarHBondContact O-CB 3.22Å; S180-A184 PolarHBondContact O-N 2.79Å |
| 181 | A | 32.8 | Very low | 30.6 | Very low | 68 Ų | 68 | 109.1 Ų | 109.1 | 56% | 0.562 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.2 | -43.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G179 A184 V185 | G179-A181 PolarHBondContact O-N 3.4Å; A181-A184 PolarHBondContact O-N 2.71Å; A181-V185 WeakPolarHBondContact O-CG2 3.43Å; A181-V185 PolarHBondContact O-N 2.74Å |
| 182 | A | 32.3 | Very low | 31 | Very low | 56 Ų | 56 | 107.6 Ų | 107.6 | 46% | 0.463 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.4 | -38.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V185 A186 | A182-V185 PolarHBondContact O-N 2.89Å; A182-A186 WeakPolarHBondContact O-CB 3.33Å; A182-A186 PolarHBondContact O-N 3Å |
| 183 | A | 30.2 | Very low | 31.3 | Very low | 71 Ų | 71 | 106.1 Ų | 106.1 | 59% | 0.587 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.7 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V185 S187 | A183-V185 VanDerWaalsContact C-N 3.34Å; A183-S187 PolarHBondContact O-N 2.87Å |
| 184 | A | 31.1 | Very low | 31.2 | Very low | 55 Ų | 55 | 107 Ų | 107 | 46% | 0.455 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -70.4 | -27.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S180 A181 S187 N188 | S180-A184 WeakPolarHBondContact O-CB 3.22Å; S180-A184 PolarHBondContact O-N 2.79Å; A181-A184 PolarHBondContact O-N 2.71Å; A184-S187 PolarHBondContact O-OG 2.9Å; A184-N188 PolarHBondContact O-ND2 2.9Å |
| 185 | V | 35.6 | Very low | 31.6 | Very low | 89 Ų | 89 | 106.6 Ų | 106.6 | 54% | 0.539 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -81.9 | -40.4 | 174.3 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | A181 A182 A183 S187 N188 L189 | A181-V185 WeakPolarHBondContact O-CG2 3.43Å; A181-V185 PolarHBondContact O-N 2.74Å; A182-V185 PolarHBondContact O-N 2.89Å; A183-V185 VanDerWaalsContact C-N 3.34Å; V185-S187 VanDerWaalsContact C-N 3.26Å; V185-S187 PolarHBondContact O-N 2.84Å; V185-N188 PolarHBondContact O-N 3.05Å; V185-N188 VanDerWaalsContact O-N 3.11Å; V185-L189 HydrophobicContact CG1-CD1 4.14Å; V185-L189 HydrophobicContact CG1-CG 4.42Å; V185-L189 PolarHBondContact O-N 3.17Å |
| 186 | A | 30.4 | Very low | 31.9 | Very low | 65 Ų | 65 | 104.1 Ų | 104.1 | 54% | 0.537 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.1 | -30.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A182 | A182-A186 WeakPolarHBondContact O-CB 3.33Å; A182-A186 PolarHBondContact O-N 3Å |
| 187 | S | 29.9 | Very low | 32.1 | Very low | 94 Ų | 94 | 103.9 Ų | 103.9 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -20 | 176.4 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | A183 A184 V185 | A183-S187 PolarHBondContact O-N 2.87Å; A184-S187 PolarHBondContact O-OG 2.9Å; V185-S187 VanDerWaalsContact C-N 3.26Å; V185-S187 PolarHBondContact O-N 2.84Å |
| 188 | N | 29.4 | Very low | 32.5 | Very low | 139 Ų | 139 | 103.8 Ų | 103.8 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -15.3 | 177.7 | -78.9 | -76.7 | 0 | 0 | 0 | 113.3 | A184 V185 N190 | A184-N188 PolarHBondContact O-ND2 2.9Å; V185-N188 PolarHBondContact O-N 3.05Å; V185-N188 VanDerWaalsContact O-N 3.11Å; N188-N190 PolarHBondContact O-N 3.05Å |
| 189 | L | 34.4 | Very low | 32.7 | Very low | 74 Ų | 74 | 99.3 Ų | 99.3 | 39% | 0.387 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -77.3 | 106.4 | 172.6 | -69.6 | 171.9 | 0 | 0 | 0 | 109.3 | V185 S191 | V185-L189 HydrophobicContact CG1-CD1 4.14Å; V185-L189 HydrophobicContact CG1-CG 4.42Å; V185-L189 PolarHBondContact O-N 3.17Å; L189-S191 PolarHBondContact O-N 2.82Å |
| 190 | N | 34.5 | Very low | 33 | Very low | 105 Ų | 105 | 104.8 Ų | 104.8 | 56% | 0.561 | 64% | 0.642 | S | S | * | * | trans | -43 | 128.6 | 168.2 | -180 | -13.1 | 0 | 0 | 0 | 109.7 | N188 N192 F193 | N188-N190 PolarHBondContact O-N 3.05Å; N190-N192 PolarHBondContact O-N 2.74Å; N190-N192 PolarHBondContact OD1-ND2 3.37Å; N190-F193 PolarHBondContact O-N 3.12Å | ||
| 191 | S | 35.1 | Very low | 33 | Very low | 93 Ų | 93 | 104.4 Ų | 104.4 | 65% | 0.65 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -53.8 | -17.4 | -167.3 | 48.7 | 0 | 0 | 0 | 0 | 115.2 | L189 F193 A194 | L189-S191 PolarHBondContact O-N 2.82Å; S191-F193 PolarHBondContact O-N 2.81Å; S191-A194 PolarHBondContact O-N 3.14Å |
| 192 | N | 34.3 | Very low | 33.5 | Very low | 107 Ų | 107 | 107.8 Ų | 107.8 | 57% | 0.572 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -59.1 | -27.8 | 171 | -63.1 | -35.5 | 0 | 0 | 0 | 114.1 | N190 A194 Q195 | N190-N192 PolarHBondContact O-N 2.74Å; N190-N192 PolarHBondContact OD1-ND2 3.37Å; N192-A194 VanDerWaalsContact C-N 3.29Å; N192-A194 PolarHBondContact O-N 2.94Å; N192-Q195 PolarHBondContact O-N 2.72Å |
| 193 | F | 33.4 | Very low | 33.8 | Very low | 156 Ų | 156 | 108.2 Ų | 108.2 | 68% | 0.684 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -75.2 | -13.6 | 177.6 | -91.8 | -82.2 | 0 | 0 | 0 | 114.4 | N190 S191 Q195 | N190-F193 PolarHBondContact O-N 3.12Å; S191-F193 PolarHBondContact O-N 2.81Å; F193-Q195 VanDerWaalsContact C-N 3.27Å; F193-Q195 PolarHBondContact O-N 3.12Å |
| 194 | A | 32.3 | Very low | 34.1 | Very low | 92 Ų | 92 | 108.7 Ų | 108.7 | 76% | 0.76 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -80.5 | -6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S191 N192 | S191-A194 PolarHBondContact O-N 3.14Å; N192-A194 VanDerWaalsContact C-N 3.29Å; N192-A194 PolarHBondContact O-N 2.94Å |
| 195 | Q | 34.2 | Very low | 34.3 | Very low | 149 Ų | 149 | 113.7 Ų | 113.7 | 70% | 0.696 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -87.9 | 119.6 | 175.9 | -66.6 | -167.4 | -5.5 | 0 | 0 | 111 | N192 F193 | N192-Q195 PolarHBondContact O-N 2.72Å; F193-Q195 VanDerWaalsContact C-N 3.27Å; F193-Q195 PolarHBondContact O-N 3.12Å |
| 196 | A | 34 | Very low | 34.4 | Very low | 83 Ų | 83 | 115.8 Ų | 115.8 | 69% | 0.686 | 69% | 0.685 | S | S | * | * | trans | -63 | 166 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 197 | N | 33.2 | Very low | 34.6 | Very low | 159 Ų | 159 | 118.9 Ų | 118.9 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | trans | 83.9 | 44.2 | 165.3 | -56 | -43.9 | 0 | 0 | 0 | 118.8 | S199 | N197-S199 PolarHBondContact O-N 3.37Š| ||
| 198 | F | 34.2 | Very low | 34.7 | Very low | 169 Ų | 169 | 119.1 Ų | 119.1 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | trans | -85.1 | 99.8 | 156.3 | -68 | -75.8 | 0 | 0 | 0 | 110.9 | ||||
| 199 | S | 35.6 | Very low | 35.3 | Very low | 111 Ų | 111 | 118 Ų | 118 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -86.5 | 107.7 | 171.3 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | N197 I201 | N197-S199 PolarHBondContact O-N 3.37Å; S199-I201 PolarHBondContact O-N 2.02Å; S199-I201 VanDerWaalsContact O-N 3.17Å | ||
| 200 | L | 34.2 | Very low | 35.4 | Very low | 164 Ų | 164 | 119 Ų | 119 | 86% | 0.859 | 70% | 0.698 | S | S | * | * | trans | -78 | 93.8 | 176.8 | -70.7 | 163.8 | 0 | 0 | 0 | 110.1 | ||||
| 201 | I | 32.4 | Very low | 35.6 | Very low | 94 Ų | 94 | 123 Ų | 123 | 48% | 0.482 | 71% | 0.711 | S | S | . | * | trans | -69.5 | 134.3 | 163.4 | -56.8 | -179.9 | 0 | 0 | 0 | 107.3 | S199 S203 I207 | S199-I201 PolarHBondContact O-N 2.02Å; S199-I201 VanDerWaalsContact O-N 3.17Å; I201-S203 CarbonylContact O-C 3.43Å; I201-S203 PolarHBondContact O-N 3.42Å; I201-I207 HydrophobicContact CD1-CD1 4.11Å | ||
| 202 | P | 43.1 | Very low | 35.6 | Very low | 138 Ų | 138 | 122.7 Ų | 122.7 | 90% | 0.896 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -63.2 | -14.2 | -169.5 | -27.6 | 36.4 | 0 | 0 | 0 | 116.7 | ||
| 203 | S | 39 | Very low | 36 | Very low | 66 Ų | 66 | 125.2 Ų | 125.2 | 46% | 0.462 | 73% | 0.727 | S | S | . | * | S | Bend | trans | -83.9 | 114.5 | 160.4 | 53.2 | 0 | 0 | 0 | 0 | 108.5 | I201 Q205 | I201-S203 CarbonylContact O-C 3.43Å; I201-S203 PolarHBondContact O-N 3.42Å; S203-Q205 PolarHBondContact O-N 2.91Å |
| 204 | G | 36.2 | Very low | 36.1 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | trans | -63.8 | 27.8 | -175 | 0 | 0 | 0 | 0 | 0 | 117.4 | V206 | G204-V206 PolarHBondContact O-N 3.46Š| ||
| 205 | Q | 35.2 | Very low | 36.3 | Very low | 159 Ų | 159 | 124 Ų | 124 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | -72.9 | 105 | 168.6 | -66.3 | -177 | -9.3 | 0 | 0 | 109.4 | S203 I207 | S203-Q205 PolarHBondContact O-N 2.91Å; Q205-I207 PolarHBondContact O-N 3.27Å | ||
| 206 | V | 37.1 | Very low | 36.3 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | -66.2 | 100.7 | 172.7 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | G204 N208 | G204-V206 PolarHBondContact O-N 3.46Å; V206-N208 PolarHBondContact O-N 2.83Å | ||
| 207 | I | 34 | Very low | 36.3 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 67% | 0.667 | 74% | 0.743 | S | S | * | * | trans | -72.5 | 97.6 | 169.2 | -57.2 | 178.3 | 0 | 0 | 0 | 107.5 | I201 Q205 P209 | I201-I207 HydrophobicContact CD1-CD1 4.11Å; Q205-I207 PolarHBondContact O-N 3.27Å; I207-P209 VanDerWaalsContact O-CD 3.32Å; I207-P209 WeakPolarHBondContact O-CD 3.22Å | ||
| 208 | N | 32.5 | Very low | 36.8 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 53% | 0.529 | 76% | 0.76 | S | S | . | * | trans | -68.4 | 115.9 | 173 | -177.6 | -18.9 | 0 | 0 | 0 | 109.4 | V206 S210 K211 | V206-N208 PolarHBondContact O-N 2.83Å; N208-S210 PolarHBondContact ND2-OG 3.45Å; N208-S210 PolarHBondContact O-N 3.03Å; N208-S210 VanDerWaalsContact O-N 3.1Å; N208-S210 WeakPolarHBondContact OD1-CB 3.33Å; N208-S210 PolarHBondContact OD1-N 3.48Å; N208-S210 PolarHBondContact OD1-OG 2.8Å; N208-K211 PolarHBondContact O-N 3.42Å | ||
| 209 | P | 42 | Very low | 36.9 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -7.8 | -174.9 | 29 | -35.8 | 0 | 0 | 0 | 113.9 | I207 K211 | I207-P209 VanDerWaalsContact O-CD 3.32Å; I207-P209 WeakPolarHBondContact O-CD 3.22Å; P209-K211 CarbonylContact O-C 3.34Å; P209-K211 PolarHBondContact O-N 2.97Å |
| 210 | S | 37.6 | Very low | 37 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -14.5 | 174.8 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | N208 A212 | N208-S210 PolarHBondContact ND2-OG 3.45Å; N208-S210 PolarHBondContact O-N 3.03Å; N208-S210 VanDerWaalsContact O-N 3.1Å; N208-S210 WeakPolarHBondContact OD1-CB 3.33Å; N208-S210 PolarHBondContact OD1-N 3.48Å; N208-S210 PolarHBondContact OD1-OG 2.8Å; S210-A212 PolarHBondContact O-N 3.08Å |
| 211 | K | 37.5 | Very low | 37.1 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -75.5 | 80 | 156.9 | -77.7 | -170.4 | 177.2 | -179.5 | 0 | 109 | N208 P209 L213 | N208-K211 PolarHBondContact O-N 3.42Å; P209-K211 CarbonylContact O-C 3.34Å; P209-K211 PolarHBondContact O-N 2.97Å; K211-L213 PolarHBondContact O-N 2.99Å |
| 212 | A | 35.2 | Very low | 37.4 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 124.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S210 | S210-A212 PolarHBondContact O-N 3.08Š|
| 213 | L | 42.3 | Very low | 37 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 137.8 | 169.5 | -70.9 | 163.9 | 0 | 0 | 0 | 108.7 | K211 S215 | K211-L213 PolarHBondContact O-N 2.99Å; L213-S215 PolarHBondContact O-N 3.13Å |
| 214 | P | 37.2 | Very low | 36.9 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 118.3 | -179.3 | -26.2 | 34.5 | 0 | 0 | 0 | 111 | V216 | P214-V216 PolarHBondContact O-N 2.82Š|
| 215 | S | 35.7 | Very low | 36.9 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -66.7 | 108.4 | 176.7 | 50.2 | 0 | 0 | 0 | 0 | 109.5 | L213 K217 | L213-S215 PolarHBondContact O-N 3.13Å; S215-K217 PolarHBondContact O-N 3.09Å; S215-K217 VanDerWaalsContact O-N 3.09Å | ||
| 216 | V | 33.3 | Very low | 37.1 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | trans | -64.5 | 111.6 | 169.5 | -178.1 | 0 | 0 | 0 | 0 | 107 | P214 | P214-V216 PolarHBondContact O-N 2.82Š| ||
| 217 | K | 35.2 | Very low | 37.1 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -83.4 | 119.1 | -176.5 | -83.6 | -174.4 | 176.6 | 177 | 0 | 111.4 | S215 | S215-K217 PolarHBondContact O-N 3.09Å; S215-K217 VanDerWaalsContact O-N 3.09Å | ||
| 218 | R | 42.3 | Very low | 37.3 | Very low | 320 Ų | 320 | 146.7 Ų | 146.7 | 100% | 1.208 | 79% | 0.789 | S | S | * | * | trans | 67.9 | 0 | 163.6 | -64.7 | -172.9 | 176.2 | 179.3 | -1.1 | 116 |
Retrieved 218 of 218 residues in 129.2 ms
(Link to these results)