| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.7 | Very low | 42.9 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 73% | 0.729 | 58% | 0.584 | S | S | * | * | 0 | 132.8 | 0 | -70.4 | -173.8 | 87.5 | 0 | 0 | 108 | Q5 Y9 | M1-Q5 HydrophobicContact CB-CB 4.42Å; M1-Q5 HydrophobicContact CE-CB 3.85Å; M1-Y9 HydrophobicContact CE-CD2 3.65Å; M1-Y9 HydrophobicContact CE-CE2 3.77Å | |||
| 2 | S | 52.6 | Low | 42.4 | Very low | 65 Ų | 65 | 119.8 Ų | 119.8 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | trans | -74.6 | 158 | 174.4 | 69.8 | 0 | 0 | 0 | 0 | 110.6 | R4 Q5 R6 | S2-R4 PolarHBondContact O-N 3.5Å; S2-Q5 VanDerWaalsContact N-OE1 3.15Å; S2-Q5 WeakPolarHBondContact O-CA 3.44Å; S2-Q5 WeakPolarHBondContact O-CB 3.49Å; S2-Q5 PolarHBondContact O-N 3.07Å; S2-R6 PolarHBondContact O-N 2.78Å | ||
| 3 | D | 45.2 | Very low | 42 | Very low | 107 Ų | 107 | 114.5 Ų | 114.5 | 57% | 0.572 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65 | -26.4 | -178.4 | -67.9 | -29.3 | 0 | 0 | 0 | 112.8 | Q5 R6 V7 | D3-Q5 VanDerWaalsContact C-N 3.33Å; D3-Q5 PolarHBondContact O-N 3.18Å; D3-R6 PolarHBondContact O-N 3.06Å; D3-R6 VanDerWaalsContact O-N 3.17Å; D3-R6 IonicContact OD1-CZ 3.82Å; D3-R6 IonicContact OD1-NE 3.19Å; D3-R6 PolarHBondContact OD1-NE 2.77Å; D3-R6 IonicContact OD1-NH2 3.35Å; D3-R6 PolarHBondContact OD1-NH2 2.87Å; D3-V7 PolarHBondContact O-N 3.26Å; D3-V7 VanDerWaalsContact O-N 3.13Å |
| 4 | R | 38.9 | Very low | 41.6 | Very low | 203 Ų | 203 | 115.5 Ų | 115.5 | 77% | 0.766 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.3 | -41.9 | 166.6 | -97.9 | -175.7 | 171.5 | 172.4 | -1.3 | 112.4 | S2 R6 Y8 | S2-R4 PolarHBondContact O-N 3.5Å; R4-R6 VanDerWaalsContact C-N 3.31Å; R4-R6 PolarHBondContact O-N 2.74Å; R4-Y8 PolarHBondContact O-N 2.97Å |
| 5 | Q | 41.3 | Very low | 41.2 | Very low | 96 Ų | 96 | 113.7 Ų | 113.7 | 45% | 0.449 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.6 | -31 | 177.3 | -65.1 | 173.4 | -23.5 | 0 | 0 | 112 | M1 S2 D3 Y8 Y9 | M1-Q5 HydrophobicContact CB-CB 4.42Å; M1-Q5 HydrophobicContact CE-CB 3.85Å; S2-Q5 VanDerWaalsContact N-OE1 3.15Å; S2-Q5 WeakPolarHBondContact O-CA 3.44Å; S2-Q5 WeakPolarHBondContact O-CB 3.49Å; S2-Q5 PolarHBondContact O-N 3.07Å; D3-Q5 VanDerWaalsContact C-N 3.33Å; D3-Q5 PolarHBondContact O-N 3.18Å; Q5-Y8 PolarHBondContact O-N 3.34Å; Q5-Y9 PolarHBondContact O-N 3.39Å |
| 6 | R | 38.7 | Very low | 40.8 | Very low | 148 Ų | 148 | 113.3 Ų | 113.3 | 56% | 0.558 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.6 | -43.9 | 175.9 | -88.6 | -168.6 | -92.9 | -156.1 | -4.6 | 112.7 | S2 D3 R4 Y8 Y9 L10 | S2-R6 PolarHBondContact O-N 2.78Å; D3-R6 PolarHBondContact O-N 3.06Å; D3-R6 VanDerWaalsContact O-N 3.17Å; D3-R6 IonicContact OD1-CZ 3.82Å; D3-R6 IonicContact OD1-NE 3.19Å; D3-R6 PolarHBondContact OD1-NE 2.77Å; D3-R6 IonicContact OD1-NH2 3.35Å; D3-R6 PolarHBondContact OD1-NH2 2.87Å; R4-R6 VanDerWaalsContact C-N 3.31Å; R4-R6 PolarHBondContact O-N 2.74Å; R6-Y8 VanDerWaalsContact C-N 3.31Å; R6-Y8 PolarHBondContact O-N 2.95Å; R6-Y9 PolarHBondContact O-N 2.76Å; R6-L10 PolarHBondContact O-N 3.09Å |
| 7 | V | 44.5 | Very low | 40.3 | Very low | 103 Ų | 103 | 114.2 Ų | 114.2 | 62% | 0.624 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.7 | -41.7 | 175.3 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | D3 Y9 L10 A11 | D3-V7 PolarHBondContact O-N 3.26Å; D3-V7 VanDerWaalsContact O-N 3.13Å; V7-Y9 PolarHBondContact O-N 3.34Å; V7-L10 PolarHBondContact O-N 2.77Å; V7-A11 WeakPolarHBondContact O-CB 3.48Å; V7-A11 PolarHBondContact O-N 2.78Å |
| 8 | Y | 41.7 | Very low | 39.8 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 60% | 0.596 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.7 | -43.3 | 176.2 | -166.3 | -92.3 | 0 | 0 | 0 | 112.5 | R4 Q5 R6 A11 Q12 | R4-Y8 PolarHBondContact O-N 2.97Å; Q5-Y8 PolarHBondContact O-N 3.34Å; R6-Y8 VanDerWaalsContact C-N 3.31Å; R6-Y8 PolarHBondContact O-N 2.95Å; Y8-A11 PolarHBondContact O-N 3.32Å; Y8-Q12 HydrophobicContact CE1-CG 4.09Å; Y8-Q12 PolarHBondContact O-N 3.37Å |
| 9 | Y | 37.1 | Very low | 39.2 | Very low | 148 Ų | 148 | 112.9 Ų | 112.9 | 58% | 0.58 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.2 | -39.8 | 177.1 | -111.2 | -87 | 0 | 0 | 0 | 113.1 | M1 Q5 R6 V7 A11 Q12 A13 | M1-Y9 HydrophobicContact CE-CD2 3.65Å; M1-Y9 HydrophobicContact CE-CE2 3.77Å; Q5-Y9 PolarHBondContact O-N 3.39Å; R6-Y9 PolarHBondContact O-N 2.76Å; V7-Y9 PolarHBondContact O-N 3.34Å; Y9-A11 VanDerWaalsContact C-N 3.31Å; Y9-Q12 PolarHBondContact O-N 2.95Å; Y9-A13 WeakPolarHBondContact O-CB 3.18Å; Y9-A13 PolarHBondContact O-N 2.67Å |
| 10 | L | 41.3 | Very low | 38.8 | Very low | 123 Ų | 123 | 111.8 Ų | 111.8 | 64% | 0.644 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.3 | -36.3 | 175.2 | -82.8 | 162.9 | 0 | 0 | 0 | 111.8 | R6 V7 | R6-L10 PolarHBondContact O-N 3.09Å; V7-L10 PolarHBondContact O-N 2.77Å |
| 11 | A | 41.7 | Very low | 38.4 | Very low | 55 Ų | 55 | 116 Ų | 116 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.8 | -47.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V7 Y8 Y9 A13 N14 V15 | V7-A11 WeakPolarHBondContact O-CB 3.48Å; V7-A11 PolarHBondContact O-N 2.78Å; Y8-A11 PolarHBondContact O-N 3.32Å; Y9-A11 VanDerWaalsContact C-N 3.31Å; A11-A13 PolarHBondContact O-N 3.4Å; A11-N14 PolarHBondContact O-N 3.27Å; A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3Å |
| 12 | Q | 37.2 | Very low | 37.4 | Very low | 89 Ų | 89 | 112 Ų | 112 | 42% | 0.416 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.9 | -39.1 | 178.2 | -96 | -166.9 | -5.8 | 0 | 0 | 113.6 | Y8 Y9 N14 V15 T16 | Y8-Q12 HydrophobicContact CE1-CG 4.09Å; Y8-Q12 PolarHBondContact O-N 3.37Å; Y9-Q12 PolarHBondContact O-N 2.95Å; Q12-N14 PolarHBondContact O-N 3.19Å; Q12-V15 PolarHBondContact O-N 3.06Å; Q12-T16 PolarHBondContact O-N 2.77Å; Q12-T16 VanDerWaalsContact O-N 3.12Å; Q12-T16 PolarHBondContact O-OG1 2.97Å |
| 13 | A | 37.8 | Very low | 36.4 | Very low | 51 Ų | 51 | 115.4 Ų | 115.4 | 42% | 0.421 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.6 | -24.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y9 A11 N17 | Y9-A13 WeakPolarHBondContact O-CB 3.18Å; Y9-A13 PolarHBondContact O-N 2.67Å; A11-A13 PolarHBondContact O-N 3.4Å; A13-N17 PolarHBondContact O-ND2 3.15Å |
| 14 | N | 35.8 | Very low | 35.8 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 69% | 0.69 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -85.4 | -22.5 | 173.2 | -74.6 | -27.1 | 0 | 0 | 0 | 113 | A11 Q12 | A11-N14 PolarHBondContact O-N 3.27Å; Q12-N14 PolarHBondContact O-N 3.19Å |
| 15 | V | 35.7 | Very low | 35.3 | Very low | 88 Ų | 88 | 115.1 Ų | 115.1 | 53% | 0.533 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -84.9 | -31.1 | -179 | -179.5 | 0 | 0 | 0 | 0 | 112.3 | A11 Q12 N17 S18 | A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3Å; Q12-V15 PolarHBondContact O-N 3.06Å; V15-N17 PolarHBondContact O-N 3.33Å; V15-N17 VanDerWaalsContact O-N 3.08Å; V15-S18 PolarHBondContact O-N 2.9Å; V15-S18 PolarHBondContact O-OG 2.77Å |
| 16 | T | 34 | Very low | 34.6 | Very low | 107 Ų | 107 | 112.5 Ų | 112.5 | 66% | 0.656 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -1.2 | 179 | 45.4 | 0 | 0 | 0 | 0 | 114.9 | Q12 | Q12-T16 PolarHBondContact O-N 2.77Å; Q12-T16 VanDerWaalsContact O-N 3.12Å; Q12-T16 PolarHBondContact O-OG1 2.97Å |
| 17 | N | 32.3 | Very low | 34.2 | Very low | 129 Ų | 129 | 110.6 Ų | 110.6 | 69% | 0.69 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 0.4 | 179.2 | -75.7 | -40.4 | 0 | 0 | 0 | 115 | A13 V15 | A13-N17 PolarHBondContact O-ND2 3.15Å; V15-N17 PolarHBondContact O-N 3.33Å; V15-N17 VanDerWaalsContact O-N 3.08Å |
| 18 | S | 31.4 | Very low | 33.2 | Very low | 102 Ų | 102 | 116.2 Ų | 116.2 | 71% | 0.713 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -97.4 | -0.4 | -177.1 | 53.2 | 0 | 0 | 0 | 0 | 115.3 | V15 | V15-S18 PolarHBondContact O-N 2.9Å; V15-S18 PolarHBondContact O-OG 2.77Å |
| 19 | S | 29.3 | Very low | 32.6 | Very low | 103 Ų | 103 | 117.4 Ų | 117.4 | 72% | 0.72 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -131.5 | 50.4 | -173.9 | 60.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 20 | A | 30 | Very low | 32 | Very low | 90 Ų | 90 | 116.4 Ų | 116.4 | 74% | 0.744 | 68% | 0.681 | S | S | * | * | trans | -156.9 | 119.3 | 157 | 0 | 0 | 0 | 0 | 0 | 111.4 | G22 | A20-G22 PolarHBondContact O-N 3.48Š| ||
| 21 | Q | 31.5 | Very low | 31.2 | Very low | 201 Ų | 201 | 117.7 Ų | 117.7 | 94% | 0.939 | 69% | 0.687 | S | S | * | * | trans | -50.3 | 134.4 | 158.4 | -70.9 | 171.1 | -35.5 | 0 | 0 | 109.7 | ||||
| 22 | G | 27.9 | Very low | 30.4 | Very low | 64 Ų | 64 | 118 Ų | 118 | 66% | 0.66 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 107.4 | 115.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A20 | A20-G22 PolarHBondContact O-N 3.48Š|
| 23 | V | 31.1 | Very low | 29.8 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | 69.4 | 98.8 | 161.6 | -159 | 0 | 0 | 0 | 0 | 114 | S25 | V23-S25 VanDerWaalsContact C-N 3.27Å; V23-S25 PolarHBondContact O-N 2.81Å | ||
| 24 | Q | 32.6 | Very low | 29.2 | Very low | 192 Ų | 192 | 130 Ų | 130 | 90% | 0.897 | 73% | 0.727 | S | S | * | * | trans | -53.9 | 89.4 | 166.2 | -72.3 | 177.2 | -13.5 | 0 | 0 | 110.6 | ||||
| 25 | S | 28.3 | Very low | 28.7 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | trans | -110.5 | 37.6 | 172.2 | 175.2 | 0 | 0 | 0 | 0 | 109.7 | V23 | V23-S25 VanDerWaalsContact C-N 3.27Å; V23-S25 PolarHBondContact O-N 2.81Å | ||
| 26 | G | 25.9 | Very low | 28.7 | Very low | 41 Ų | 41 | 129.9 Ų | 129.9 | 42% | 0.423 | 74% | 0.737 | S | S | . | * | S | Bend | trans | -74.8 | 152.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | R28 | G26-R28 PolarHBondContact O-N 3.26Š|
| 27 | P | 30.1 | Very low | 28.5 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | -55.6 | 105 | 176.1 | 22.7 | -31.3 | 0 | 0 | 0 | 109 | F29 | P27-F29 HydrophobicContact CB-CE2 4.42Å; P27-F29 HydrophobicContact CG-CE2 4.22Å; P27-F29 WeakPolarHBondContact O-CD2 3.41Å; P27-F29 PolarHBondContact O-N 2.93Å | ||
| 28 | R | 24.9 | Very low | 28.3 | Very low | 220 Ų | 220 | 128 Ų | 128 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | trans | -64.5 | 99.6 | 171.8 | -93.1 | -178.1 | 157 | 175.4 | -4.1 | 107 | G26 T30 | G26-R28 PolarHBondContact O-N 3.26Å; R28-T30 PolarHBondContact O-N 3.23Å | ||
| 29 | F | 27.8 | Very low | 27.9 | Very low | 178 Ų | 178 | 130.9 Ų | 130.9 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | trans | -68.9 | 86.8 | 159.9 | -64 | -79.9 | 0 | 0 | 0 | 107.2 | P27 I31 | P27-F29 HydrophobicContact CB-CE2 4.42Å; P27-F29 HydrophobicContact CG-CE2 4.22Å; P27-F29 WeakPolarHBondContact O-CD2 3.41Å; P27-F29 PolarHBondContact O-N 2.93Å; F29-I31 VanDerWaalsContact C-N 3.32Å; F29-I31 PolarHBondContact O-N 3.43Å | ||
| 30 | T | 24.4 | Very low | 27.9 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -63.1 | 102.7 | 158.8 | 19.2 | 0 | 0 | 0 | 0 | 106.5 | R28 A32 | R28-T30 PolarHBondContact O-N 3.23Å; T30-A32 PolarHBondContact O-N 2.99Å | ||
| 31 | I | 25 | Very low | 27.7 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | -62 | 94.8 | 160.8 | -58.2 | 170.6 | 0 | 0 | 0 | 104.4 | F29 R33 | F29-I31 VanDerWaalsContact C-N 3.32Å; F29-I31 PolarHBondContact O-N 3.43Å; I31-R33 PolarHBondContact O-N 3.49Å | ||
| 32 | A | 24.3 | Very low | 27.4 | Very low | 62 Ų | 62 | 128.7 Ų | 128.7 | 51% | 0.512 | 73% | 0.732 | S | S | . | * | trans | -58.5 | 100.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 105 | T30 H34 | T30-A32 PolarHBondContact O-N 2.99Å; A32-H34 PolarHBondContact O-CD2 2.88Å; A32-H34 PolarHBondContact O-N 3.48Å | ||
| 33 | R | 25.7 | Very low | 27.4 | Very low | 232 Ų | 232 | 130.8 Ų | 130.8 | 88% | 0.875 | 74% | 0.743 | S | S | * | * | trans | -63 | 91.8 | 159.9 | -72.5 | -175.1 | 176.2 | -171.7 | -2.2 | 103.6 | I31 S35 | I31-R33 PolarHBondContact O-N 3.49Å; R33-S35 PolarHBondContact O-N 2.92Å | ||
| 34 | H | 24.4 | Very low | 27.2 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | trans | -60.2 | 85.4 | 160 | -63.5 | -75.6 | 0 | 0 | 0 | 104.7 | A32 | A32-H34 PolarHBondContact O-CD2 2.88Å; A32-H34 PolarHBondContact O-N 3.48Å | ||
| 35 | S | 26.9 | Very low | 27 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | -48.9 | 129.6 | 148.3 | 50.5 | 0 | 0 | 0 | 0 | 104.5 | R33 T37 | R33-S35 PolarHBondContact O-N 2.92Å; S35-T37 PolarHBondContact O-N 3.38Å; S35-T37 PolarHBondContact O-OG1 3.47Å | ||
| 36 | P | 34.5 | Very low | 26.9 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | trans | -57.1 | 96 | -174.4 | 22.1 | -31.5 | 0 | 0 | 0 | 107.6 | A38 | P36-A38 PolarHBondContact O-N 3.23Š| ||
| 37 | T | 30.1 | Very low | 27 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 63% | 0.632 | 74% | 0.74 | S | S | * | * | trans | -63.5 | 115.6 | 175 | -28.4 | 0 | 0 | 0 | 0 | 102.6 | S35 H39 | S35-T37 PolarHBondContact O-N 3.38Å; S35-T37 PolarHBondContact O-OG1 3.47Å; T37-H39 PolarHBondContact O-N 3.32Å | ||
| 38 | A | 28.1 | Very low | 27 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -49.4 | 93.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | P36 P40 | P36-A38 PolarHBondContact O-N 3.23Å; A38-P40 WeakPolarHBondContact O-CD 3.45Å | ||
| 39 | H | 24.1 | Very low | 27 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -65.4 | 118.2 | 161.5 | -80.2 | -69.9 | 0 | 0 | 0 | 103.9 | T37 V41 | T37-H39 PolarHBondContact O-N 3.32Å; H39-V41 PolarHBondContact O-N 2.96Å | ||
| 40 | P | 27.6 | Very low | 27 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | trans | -63.2 | 96 | 166.9 | 26.6 | -30.3 | 0 | 0 | 0 | 105.7 | A38 P42 | A38-P40 WeakPolarHBondContact O-CD 3.45Å; P40-P42 WeakPolarHBondContact O-CD 3.39Å | ||
| 41 | V | 26.9 | Very low | 27.2 | Very low | 123 Ų | 123 | 126 Ų | 126 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | trans | -64.6 | 122.9 | 169.7 | 177.4 | 0 | 0 | 0 | 0 | 105.2 | H39 A43 | H39-V41 PolarHBondContact O-N 2.96Å; V41-A43 PolarHBondContact O-N 2.91Å; V41-A43 VanDerWaalsContact O-N 3.16Å | ||
| 42 | P | 25.9 | Very low | 27.4 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | trans | -55.6 | 124.7 | -179.8 | 19.6 | -29.8 | 0 | 0 | 0 | 109.5 | P40 S44 | P40-P42 WeakPolarHBondContact O-CD 3.39Å; P42-S44 VanDerWaalsContact C-N 3.25Å; P42-S44 PolarHBondContact O-N 3.44Å | ||
| 43 | A | 26.5 | Very low | 27.4 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 88% | 0.884 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -69.8 | 75.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V41 | V41-A43 PolarHBondContact O-N 2.91Å; V41-A43 VanDerWaalsContact O-N 3.16Å |
| 44 | S | 27.6 | Very low | 27.6 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -174.1 | 57 | 164.8 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | P42 | P42-S44 VanDerWaalsContact C-N 3.25Å; P42-S44 PolarHBondContact O-N 3.44Å | ||
| 45 | V | 28.5 | Very low | 27.7 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | trans | -137.4 | 88.2 | 156.7 | -167.7 | 0 | 0 | 0 | 0 | 107.6 | L48 | V45-L48 HydrophobicContact CG1-CD1 4.49Š| ||
| 46 | G | 26.9 | Very low | 27.7 | Very low | 59 Ų | 59 | 132.2 Ų | 132.2 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | trans | -60.7 | 142.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L48 | G46-L48 PolarHBondContact O-N 3.36Š| ||
| 47 | N | 26.9 | Very low | 27.3 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | 55.8 | 55.5 | 143.1 | -56 | -13.4 | 0 | 0 | 0 | 117.5 | Y49 | N47-Y49 VanDerWaalsContact C-N 3.31Š| ||
| 48 | L | 30.1 | Very low | 27.3 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -84 | -4.8 | 162.1 | -81.7 | 169.6 | 0 | 0 | 0 | 114.1 | V45 G46 | V45-L48 HydrophobicContact CG1-CD1 4.49Å; G46-L48 PolarHBondContact O-N 3.36Å |
| 49 | Y | 25.9 | Very low | 27.2 | Very low | 201 Ų | 201 | 139.1 Ų | 139.1 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -108.1 | 116.1 | 165.9 | -70.2 | -81.1 | 0 | 0 | 0 | 108.2 | N47 T51 | N47-Y49 VanDerWaalsContact C-N 3.31Å; Y49-T51 PolarHBondContact O-N 3.42Å |
| 50 | P | 27.4 | Very low | 27.5 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | -57.3 | 117.7 | 164.7 | 24 | -29.1 | 0 | 0 | 0 | 106.1 | L52 | P50-L52 VanDerWaalsContact C-N 3.33Å; P50-L52 PolarHBondContact O-N 3.07Å | ||
| 51 | T | 29 | Very low | 27.5 | Very low | 117 Ų | 117 | 138 Ų | 138 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -52.6 | 102.9 | 169.6 | 45.4 | 0 | 0 | 0 | 0 | 106.8 | Y49 N53 | Y49-T51 PolarHBondContact O-N 3.42Å; T51-N53 VanDerWaalsContact C-N 3.34Å; T51-N53 PolarHBondContact O-N 2.75Å | ||
| 52 | L | 28 | Very low | 27.7 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -56.1 | 105.3 | 167.2 | -92.8 | 152.2 | 0 | 0 | 0 | 105.6 | P50 Q54 | P50-L52 VanDerWaalsContact C-N 3.33Å; P50-L52 PolarHBondContact O-N 3.07Å; L52-Q54 PolarHBondContact O-N 3.12Å | ||
| 53 | N | 25.7 | Very low | 27.6 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -47 | 111.8 | 176.2 | -89.7 | -37.7 | 0 | 0 | 0 | 108.5 | T51 A55 | T51-N53 VanDerWaalsContact C-N 3.34Å; T51-N53 PolarHBondContact O-N 2.75Å; N53-A55 PolarHBondContact O-N 2.9Å | ||
| 54 | Q | 28.2 | Very low | 27.8 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -64.3 | 7.3 | 176.4 | -83.6 | -176.6 | -8.4 | 0 | 0 | 113.5 | L52 R56 | L52-Q54 PolarHBondContact O-N 3.12Å; Q54-R56 PolarHBondContact O-N 2.83Å |
| 55 | A | 27.4 | Very low | 27.9 | Very low | 90 Ų | 90 | 140.8 Ų | 140.8 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -92.9 | 16.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N53 | N53-A55 PolarHBondContact O-N 2.9Š|
| 56 | R | 26 | Very low | 27.8 | Very low | 230 Ų | 230 | 142.2 Ų | 142.2 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -141.3 | 17 | -175.4 | -113.6 | -174.3 | -158.3 | -172.9 | 5.8 | 118.9 | Q54 P58 | Q54-R56 PolarHBondContact O-N 2.83Å; R56-P58 WeakPolarHBondContact O-CD 3.48Å | ||
| 57 | F | 27.1 | Very low | 27.8 | Very low | 192 Ų | 192 | 144.3 Ų | 144.3 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | trans | -102.2 | 102.9 | 163.3 | -69.5 | -72.3 | 0 | 0 | 0 | 108.7 | N59 | F57-N59 PolarHBondContact O-N 3.34Š| ||
| 58 | P | 30 | Very low | 27.7 | Very low | 102 Ų | 102 | 143 Ų | 143 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | trans | -59.7 | 138.8 | 164.5 | 26.4 | -30.5 | 0 | 0 | 0 | 107.7 | R56 E60 | R56-P58 WeakPolarHBondContact O-CD 3.48Å; P58-E60 PolarHBondContact O-N 3.02Å | ||
| 59 | N | 26.7 | Very low | 27.4 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -58.1 | 78.7 | 174.9 | -71.6 | -36.1 | 0 | 0 | 0 | 110.3 | F57 S61 | F57-N59 PolarHBondContact O-N 3.34Å; N59-S61 PolarHBondContact O-N 3.15Å | ||
| 60 | E | 29.9 | Very low | 27.2 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | -87.9 | 105.5 | 163.6 | -81.5 | -174.5 | 165.6 | 0 | 0 | 107.5 | P58 H62 | P58-E60 PolarHBondContact O-N 3.02Å; E60-H62 VanDerWaalsContact C-N 3.31Å; E60-H62 PolarHBondContact O-N 3.48Å | ||
| 61 | S | 26.4 | Very low | 27 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -48 | 88.1 | 167.7 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | N59 | N59-S61 PolarHBondContact O-N 3.15Š| ||
| 62 | H | 31.4 | Very low | 26.8 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | trans | -110.3 | 121.9 | 161.3 | -71.1 | -39.9 | 0 | 0 | 0 | 107.6 | E60 | E60-H62 VanDerWaalsContact C-N 3.31Å; E60-H62 PolarHBondContact O-N 3.48Å | ||
| 63 | G | 25.2 | Very low | 26.6 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | -53.2 | 154.9 | -169 | 0 | 0 | 0 | 0 | 0 | 113.8 | N65 | G63-N65 PolarHBondContact O-N 3.49Š| ||
| 64 | P | 28.9 | Very low | 26.4 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -63.6 | 138.7 | 174.5 | 31.3 | -32.2 | 0 | 0 | 0 | 107.4 | ||
| 65 | N | 30.8 | Very low | 26.2 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | 127.2 | 35.2 | 165.4 | -58.9 | -23.3 | 0 | 0 | 0 | 116.3 | G63 P67 | G63-N65 PolarHBondContact O-N 3.49Å; N65-P67 WeakPolarHBondContact O-CD 3.33Å | ||
| 66 | I | 26.4 | Very low | 26.2 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -105.3 | 100.4 | 154 | -54.1 | 179.7 | 0 | 0 | 0 | 107.7 | V68 | I66-V68 PolarHBondContact O-N 2.72Š| ||
| 67 | P | 26.6 | Very low | 26.2 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | trans | -64.8 | 110.9 | 171.5 | 25.7 | -30.4 | 0 | 0 | 0 | 108.2 | N65 L69 | N65-P67 WeakPolarHBondContact O-CD 3.33Å; P67-L69 VanDerWaalsContact C-N 3.26Å; P67-L69 PolarHBondContact O-N 2.84Å | ||
| 68 | V | 24.8 | Very low | 26.2 | Very low | 125 Ų | 125 | 123 Ų | 123 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | trans | -66.5 | 93.4 | 165.9 | 179.5 | 0 | 0 | 0 | 0 | 106.4 | I66 T70 | I66-V68 PolarHBondContact O-N 2.72Å; V68-T70 PolarHBondContact O-N 2.68Å; V68-T70 PolarHBondContact O-OG1 2.91Å | ||
| 69 | L | 23.1 | Very low | 26.1 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | -63.8 | 86.4 | 171.7 | -83.9 | 156.9 | 0 | 0 | 0 | 108.3 | P67 A71 | P67-L69 VanDerWaalsContact C-N 3.26Å; P67-L69 PolarHBondContact O-N 2.84Å; L69-A71 PolarHBondContact O-N 3.02Å; L69-A71 VanDerWaalsContact O-N 3.12Å | ||
| 70 | T | 22.9 | Very low | 26.1 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | trans | -76.9 | 96 | 167.6 | -40.3 | 0 | 0 | 0 | 0 | 105.7 | V68 I72 | V68-T70 PolarHBondContact O-N 2.68Å; V68-T70 PolarHBondContact O-OG1 2.91Å; T70-I72 VanDerWaalsContact C-N 3.28Å; T70-I72 PolarHBondContact O-N 2.72Å | ||
| 71 | A | 22.7 | Very low | 25.9 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -67 | 90.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | L69 V73 | L69-A71 PolarHBondContact O-N 3.02Å; L69-A71 VanDerWaalsContact O-N 3.12Å; A71-V73 HydrophobicContact CB-CG2 4.43Å; A71-V73 PolarHBondContact O-N 3.14Å | ||
| 72 | I | 24 | Very low | 25.9 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 80% | 0.795 | 75% | 0.748 | S | S | * | * | trans | -74.6 | 80.9 | 166.5 | -56.1 | 172.1 | 0 | 0 | 0 | 106 | T70 G74 | T70-I72 VanDerWaalsContact C-N 3.28Å; T70-I72 PolarHBondContact O-N 2.72Å; I72-G74 PolarHBondContact O-N 3.5Å; I72-G74 VanDerWaalsContact O-N 3.1Å | ||
| 73 | V | 24.9 | Very low | 25.8 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | trans | -70.1 | 104.9 | 167.2 | 179.4 | 0 | 0 | 0 | 0 | 105.9 | A71 L75 | A71-V73 HydrophobicContact CB-CG2 4.43Å; A71-V73 PolarHBondContact O-N 3.14Å; V73-L75 PolarHBondContact O-N 3.33Å | ||
| 74 | G | 21.9 | Very low | 26 | Very low | 64 Ų | 64 | 127.8 Ų | 127.8 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | trans | -61.3 | 96 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | I72 P76 | I72-G74 PolarHBondContact O-N 3.5Å; I72-G74 VanDerWaalsContact O-N 3.1Å; G74-P76 WeakPolarHBondContact O-CD 3.3Å | ||
| 75 | L | 24.1 | Very low | 26 | Very low | 156 Ų | 156 | 125.5 Ų | 125.5 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | trans | -61.4 | 123.2 | 167.2 | -76.8 | 157.8 | 0 | 0 | 0 | 107.9 | V73 A77 | V73-L75 PolarHBondContact O-N 3.33Å; L75-A77 PolarHBondContact O-N 2.95Å | ||
| 76 | P | 26.1 | Very low | 25.8 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | trans | -58.8 | 132.6 | 161.3 | 24.4 | -30 | 0 | 0 | 0 | 107.3 | G74 V78 | G74-P76 WeakPolarHBondContact O-CD 3.3Å; P76-V78 HydrophobicContact CB-CG2 4.39Å; P76-V78 HydrophobicContact CG-CG2 4.33Å; P76-V78 PolarHBondContact O-N 3.39Å | ||
| 77 | A | 26.9 | Very low | 25.8 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | trans | -66.6 | 68.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | L75 K79 | L75-A77 PolarHBondContact O-N 2.95Å; A77-K79 PolarHBondContact O-N 3.4Å | ||
| 78 | V | 26.6 | Very low | 25.8 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | trans | -77 | 115 | 168.3 | -175.1 | 0 | 0 | 0 | 0 | 105.1 | P76 Q80 | P76-V78 HydrophobicContact CB-CG2 4.39Å; P76-V78 HydrophobicContact CG-CG2 4.33Å; P76-V78 PolarHBondContact O-N 3.39Å; V78-Q80 PolarHBondContact O-N 2.84Å | ||
| 79 | K | 26.9 | Very low | 25.8 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -42.4 | 101.2 | 172.9 | -72.3 | 172.5 | 176.1 | 175.6 | 0 | 108.8 | A77 I81 | A77-K79 PolarHBondContact O-N 3.4Å; K79-I81 PolarHBondContact O-N 2.93Å | ||
| 80 | Q | 27.5 | Very low | 26 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -67 | 92.9 | 167.2 | -80.9 | -175.9 | -13.8 | 0 | 0 | 106.4 | V78 L82 | V78-Q80 PolarHBondContact O-N 2.84Å; Q80-L82 PolarHBondContact O-N 3.35Å | ||
| 81 | I | 26.3 | Very low | 26.2 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -70.8 | 80.9 | 159.4 | -57.5 | 169.6 | 0 | 0 | 0 | 104.1 | K79 P83 | K79-I81 PolarHBondContact O-N 2.93Å; I81-P83 WeakPolarHBondContact O-CD 3.49Å | ||
| 82 | L | 26.1 | Very low | 26.2 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | -62.4 | 119.7 | 165.2 | -84.1 | 153.6 | 0 | 0 | 0 | 105.9 | Q80 S84 | Q80-L82 PolarHBondContact O-N 3.35Å; L82-S84 PolarHBondContact O-N 2.91Å; L82-S84 VanDerWaalsContact O-N 3.12Å | ||
| 83 | P | 29.3 | Very low | 26.2 | Very low | 97 Ų | 97 | 134 Ų | 134 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | trans | -56.6 | 123 | 176.3 | 19.8 | -28.6 | 0 | 0 | 0 | 108.6 | I81 G85 | I81-P83 WeakPolarHBondContact O-CD 3.49Å; P83-G85 PolarHBondContact O-N 3.46Å | ||
| 84 | S | 30.2 | Very low | 26.2 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 109.3 | 175.7 | 55.3 | 0 | 0 | 0 | 0 | 109 | L82 | L82-S84 PolarHBondContact O-N 2.91Å; L82-S84 VanDerWaalsContact O-N 3.12Å |
| 85 | G | 27.1 | Very low | 26.5 | Very low | 67 Ų | 67 | 138 Ų | 138 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.9 | -19.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | P83 T87 | P83-G85 PolarHBondContact O-N 3.46Å; G85-T87 PolarHBondContact O-N 3.45Å |
| 86 | V | 26.9 | Very low | 26.6 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -88.2 | 78.1 | -178.4 | -163.6 | 0 | 0 | 0 | 0 | 110.7 | R88 | V86-R88 PolarHBondContact O-N 3.37Š| ||
| 87 | T | 27.9 | Very low | 26.8 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -67.7 | 113.1 | 166.8 | 44.6 | 0 | 0 | 0 | 0 | 110.3 | G85 | G85-T87 PolarHBondContact O-N 3.45Š| ||
| 88 | R | 26.6 | Very low | 26.8 | Very low | 235 Ų | 235 | 141.4 Ų | 141.4 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | 47.8 | 91.2 | 155 | -60.8 | -173.7 | 178.9 | -162.2 | 0.1 | 115.9 | V86 K90 | V86-R88 PolarHBondContact O-N 3.37Å; R88-K90 PolarHBondContact O-N 3.26Å | ||
| 89 | L | 24.9 | Very low | 26.9 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -59.4 | 104.1 | 157.1 | -70.9 | 167.1 | 0 | 0 | 0 | 108.6 | ||||
| 90 | K | 26.8 | Very low | 27 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -64.3 | 132.6 | 168.4 | -82.3 | 178.1 | 177.5 | 172.9 | 0 | 108.1 | R88 L92 | R88-K90 PolarHBondContact O-N 3.26Å; K90-L92 PolarHBondContact O-N 2.93Å | ||
| 91 | P | 26.3 | Very low | 26.9 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -61 | 122.9 | 173.1 | 24 | -30.9 | 0 | 0 | 0 | 109.2 | V93 | P91-V93 PolarHBondContact O-N 2.68Š| ||
| 92 | L | 22.3 | Very low | 27 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -63.1 | 100.4 | 168.5 | -101.1 | 102 | 0 | 0 | 0 | 108 | K90 L94 | K90-L92 PolarHBondContact O-N 2.93Å; L92-L94 PolarHBondContact O-N 3.27Å | ||
| 93 | V | 24.6 | Very low | 27.2 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -80 | 101.1 | 167.3 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | P91 | P91-V93 PolarHBondContact O-N 2.68Š| ||
| 94 | L | 24.5 | Very low | 26.9 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 126 | 170.4 | -71.2 | 165.8 | 0 | 0 | 0 | 108.6 | L92 K96 | L92-L94 PolarHBondContact O-N 3.27Å; L94-K96 PolarHBondContact O-N 2.92Å |
| 95 | P | 28.4 | Very low | 27.1 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 126.2 | 177.7 | 24.4 | -30.6 | 0 | 0 | 0 | 109.4 | S97 | P95-S97 PolarHBondContact O-N 3.48Š|
| 96 | K | 27.1 | Very low | 27 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 124.1 | 169.9 | -79.4 | 177.4 | 175.7 | 176.1 | 0 | 108.5 | L94 S98 | L94-K96 PolarHBondContact O-N 2.92Å; K96-S98 PolarHBondContact O-N 3.43Å |
| 97 | S | 28.9 | Very low | 27 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -58.4 | 100.8 | 168.9 | 53.3 | 0 | 0 | 0 | 0 | 108.8 | P95 A99 | P95-S97 PolarHBondContact O-N 3.48Å; S97-A99 PolarHBondContact O-N 2.84Å | ||
| 98 | S | 28.2 | Very low | 26.9 | Very low | 116 Ų | 116 | 147 Ų | 147 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -63 | 125.2 | 167.3 | -115.2 | 0 | 0 | 0 | 0 | 108.1 | K96 L100 | K96-S98 PolarHBondContact O-N 3.43Å; S98-L100 PolarHBondContact O-N 3.33Å | ||
| 99 | A | 27.2 | Very low | 26.9 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -55.6 | 114.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | S97 | S97-A99 PolarHBondContact O-N 2.84Š| ||
| 100 | L | 30.3 | Very low | 26.9 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -136.4 | 59.7 | 158.1 | -102.4 | 145.7 | 0 | 0 | 0 | 107 | S98 | S98-L100 PolarHBondContact O-N 3.33Š| ||
| 101 | G | 25.7 | Very low | 26.8 | Very low | 66 Ų | 66 | 132.7 Ų | 132.7 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | -88.2 | 110.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 102 | Q | 28.2 | Very low | 26.8 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | 171.9 | 92.6 | 149.1 | -97.9 | -178 | 68.5 | 0 | 0 | 108.8 | ||||
| 103 | T | 28.9 | Very low | 26.9 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -170.1 | 88.6 | 141 | 38.7 | 0 | 0 | 0 | 0 | 107.3 | P105 | T103-P105 WeakPolarHBondContact O-CD 3.25Š| ||
| 104 | L | 24.5 | Very low | 27 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -66.8 | 128.8 | 159.1 | -85.1 | 95.1 | 0 | 0 | 0 | 107.9 | T106 | L104-T106 PolarHBondContact O-N 2.94Š| ||
| 105 | P | 33.7 | Very low | 27 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -86.5 | 103.4 | 159.2 | 8 | 11.2 | 0 | 0 | 0 | 107.9 | T103 | T103-P105 WeakPolarHBondContact O-CD 3.25Š| ||
| 106 | T | 25.8 | Very low | 26.9 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | trans | -74.8 | 116.5 | 159.9 | 45.8 | 0 | 0 | 0 | 0 | 108.2 | L104 | L104-T106 PolarHBondContact O-N 2.94Š| ||
| 107 | H | 27.2 | Very low | 26.9 | Very low | 174 Ų | 174 | 130 Ų | 130 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -145 | 97.2 | 160.6 | -147 | -68.7 | 0 | 0 | 0 | 109.3 | ||||
| 108 | D | 24.3 | Very low | 26.9 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -61.1 | 134.9 | 154.8 | -83.7 | -42.9 | 0 | 0 | 0 | 108.4 | ||||
| 109 | G | 27 | Very low | 26.8 | Very low | 61 Ų | 61 | 131.8 Ų | 131.8 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | trans | 173.8 | 72 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G111 | G109-G111 PolarHBondContact O-N 3.11Š| ||
| 110 | T | 25.4 | Very low | 27 | Very low | 154 Ų | 154 | 133 Ų | 133 | 95% | 0.945 | 80% | 0.797 | S | S | * | * | trans | -47.7 | 121.5 | 158.4 | 43.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 111 | G | 24.7 | Very low | 26.8 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 162.6 | 111.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | G109 | G109-G111 PolarHBondContact O-N 3.11Š| ||
| 112 | S | 24.9 | Very low | 26.9 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | 75.9 | 109 | 150.2 | 135.9 | 0 | 0 | 0 | 0 | 118 | V114 | S112-V114 PolarHBondContact O-N 3.29Š| ||
| 113 | S | 25.2 | Very low | 26.8 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -40.8 | 114.3 | 150.4 | 51.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 114 | V | 27.5 | Very low | 26.9 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -123.7 | 96.2 | 159.1 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | S112 | S112-V114 PolarHBondContact O-N 3.29Š| ||
| 115 | S | 23.3 | Very low | 27.1 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -63.9 | 125.3 | 157.4 | -72.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 116 | R | 26.9 | Very low | 26.8 | Very low | 225 Ų | 225 | 131 Ų | 131 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | trans | 164.8 | 106.4 | 137.2 | -89.9 | 161.8 | -177.3 | -156 | 0.5 | 110.8 | ||||
| 117 | T | 27.1 | Very low | 27.1 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | 30.4 | 106.2 | 129.7 | 59.2 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 118 | S | 28.9 | Very low | 27.3 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -145.5 | 110.5 | 138.4 | 51 | 0 | 0 | 0 | 0 | 108.9 | V120 | S118-V120 PolarHBondContact O-N 3.27Å; S118-V120 VanDerWaalsContact O-N 3.08Å | ||
| 119 | D | 27.1 | Very low | 27.4 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -58.3 | 101.4 | 164.4 | -68.1 | -57.2 | 0 | 0 | 0 | 108.6 | G121 | D119-G121 PolarHBondContact O-N 2.83Š| ||
| 120 | V | 29.6 | Very low | 27.7 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | -90.7 | 75.6 | 163.4 | -172 | 0 | 0 | 0 | 0 | 107 | S118 I122 | S118-V120 PolarHBondContact O-N 3.27Å; S118-V120 VanDerWaalsContact O-N 3.08Å; V120-I122 PolarHBondContact O-N 3.25Å | ||
| 121 | G | 26 | Very low | 27.8 | Very low | 62 Ų | 62 | 131.3 Ų | 131.3 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | -64.3 | 110.3 | 164 | 0 | 0 | 0 | 0 | 0 | 108.8 | D119 M123 | D119-G121 PolarHBondContact O-N 2.83Å; G121-M123 PolarHBondContact O-N 2.76Å; G121-M123 VanDerWaalsContact O-N 3.08Å | ||
| 122 | I | 28.4 | Very low | 27.9 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -75.7 | 97.5 | 169.7 | -57.7 | 173.9 | 0 | 0 | 0 | 106.5 | V120 L124 | V120-I122 PolarHBondContact O-N 3.25Å; I122-L124 PolarHBondContact O-N 3.46Å; I122-L124 VanDerWaalsContact O-N 3.11Å | ||
| 123 | M | 26.1 | Very low | 28 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -61.2 | 105 | 169.6 | -70.7 | 177.6 | 62.2 | 0 | 0 | 109.4 | G121 A125 | G121-M123 PolarHBondContact O-N 2.76Å; G121-M123 VanDerWaalsContact O-N 3.08Å; M123-A125 PolarHBondContact O-N 2.9Å | ||
| 124 | L | 30.7 | Very low | 28 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -83.4 | 110.2 | 164.3 | -84.6 | 160.3 | 0 | 0 | 0 | 108 | I122 | I122-L124 PolarHBondContact O-N 3.46Å; I122-L124 VanDerWaalsContact O-N 3.11Å | ||
| 125 | A | 29.8 | Very low | 28 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -56.9 | 132.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M123 K127 | M123-A125 PolarHBondContact O-N 2.9Å; A125-K127 PolarHBondContact O-N 3.44Å | ||
| 126 | D | 27.7 | Very low | 28 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -56 | 98.9 | 163.1 | -76.3 | -41.9 | 0 | 0 | 0 | 110.4 | ||||
| 127 | K | 31.2 | Very low | 27.9 | Very low | 199 Ų | 199 | 139.3 Ų | 139.3 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -97.8 | 78.7 | 158.9 | -83.4 | -175.6 | 176.2 | 179.5 | 0 | 108.8 | A125 T129 | A125-K127 PolarHBondContact O-N 3.44Å; K127-T129 PolarHBondContact O-N 2.91Å | ||
| 128 | S | 30.8 | Very low | 28 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -61.2 | 111.7 | 155.6 | 48.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 129 | T | 27.8 | Very low | 27.9 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | trans | 165.3 | 80.4 | 146.9 | 37.4 | 0 | 0 | 0 | 0 | 108.5 | K127 N131 | K127-T129 PolarHBondContact O-N 2.91Å; T129-N131 PolarHBondContact O-N 3.11Å; T129-N131 VanDerWaalsContact O-N 3.13Å | ||
| 130 | P | 32.2 | Very low | 28 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -67.9 | 109.6 | 156.9 | 29.1 | -27.2 | 0 | 0 | 0 | 106.1 | L132 | P130-L132 VanDerWaalsContact C-N 3.33Å; P130-L132 PolarHBondContact O-N 3.15Å | ||
| 131 | N | 28.2 | Very low | 27.9 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -54.6 | 102.4 | 168.2 | -85.8 | -38.8 | 0 | 0 | 0 | 107.8 | T129 C133 | T129-N131 PolarHBondContact O-N 3.11Å; T129-N131 VanDerWaalsContact O-N 3.13Å; N131-C133 PolarHBondContact O-N 2.83Å | ||
| 132 | L | 26.9 | Very low | 27.8 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -69 | 86.3 | 171.6 | -150.4 | 99.4 | 0 | 0 | 0 | 106 | P130 Q134 | P130-L132 VanDerWaalsContact C-N 3.33Å; P130-L132 PolarHBondContact O-N 3.15Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 3.34Å | ||
| 133 | C | 25.7 | Very low | 27.7 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -62.4 | 102.5 | 169.6 | -76.5 | 0 | 0 | 0 | 0 | 107.4 | N131 A135 | N131-C133 PolarHBondContact O-N 2.83Å; C133-A135 VanDerWaalsContact C-N 3.33Å; C133-A135 PolarHBondContact O-N 3.21Å | ||
| 134 | Q | 25.4 | Very low | 27.7 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -53.1 | 96 | 166.8 | -73.6 | 177.1 | -16.9 | 0 | 0 | 108.6 | L132 Q136 | L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 3.34Å; Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 3.35Å; Q134-Q136 VanDerWaalsContact O-N 3.08Å | ||
| 135 | A | 27.2 | Very low | 27.6 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -73.2 | 99.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | C133 Q137 | C133-A135 VanDerWaalsContact C-N 3.33Å; C133-A135 PolarHBondContact O-N 3.21Å; A135-Q137 PolarHBondContact O-N 3.3Å; A135-Q137 VanDerWaalsContact O-N 3.07Å | ||
| 136 | Q | 24.1 | Very low | 27.4 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -41.1 | 109 | 172.7 | -132.5 | 158.5 | -3.6 | 0 | 0 | 110 | Q134 | Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 3.35Å; Q134-Q136 VanDerWaalsContact O-N 3.08Å | ||
| 137 | Q | 24.5 | Very low | 27.3 | Very low | 172 Ų | 172 | 130.7 Ų | 130.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -68.4 | 125.8 | 169.2 | -69.2 | -126.4 | -37.2 | 0 | 0 | 107.8 | A135 I139 | A135-Q137 PolarHBondContact O-N 3.3Å; A135-Q137 VanDerWaalsContact O-N 3.07Å; Q137-I139 PolarHBondContact O-N 2.96Å | ||
| 138 | P | 28.8 | Very low | 27.3 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -67.9 | 107 | 170.8 | 27.3 | -29.4 | 0 | 0 | 0 | 107.8 | G140 | P138-G140 PolarHBondContact O-N 3.4Š| ||
| 139 | I | 27.2 | Very low | 27.1 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -67 | 111.1 | 160.9 | -62.5 | 164.8 | 0 | 0 | 0 | 105.3 | Q137 | Q137-I139 PolarHBondContact O-N 2.96Š| ||
| 140 | G | 29.7 | Very low | 27.1 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | -157 | 111.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | P138 | P138-G140 PolarHBondContact O-N 3.4Š| ||
| 141 | D | 27.3 | Very low | 26.8 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -63.4 | 150.5 | -162.1 | -63.4 | -60.6 | 0 | 0 | 0 | 115.4 | ||||
| 142 | S | 24.8 | Very low | 26.6 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -45.8 | 151.3 | 162.2 | 38.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 143 | S | 24.8 | Very low | 26.8 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | 89.5 | 92.3 | 163.2 | 74.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 144 | S | 27.7 | Very low | 26.8 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | -169.6 | 124.3 | 128.7 | 46.5 | 0 | 0 | 0 | 0 | 111.3 | G146 | S144-G146 PolarHBondContact O-N 2.98Š| |||
| 145 | S | 27.8 | Very low | 27.1 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -3.9 | 97.3 | 154.3 | 35.6 | 0 | 0 | 0 | 0 | 117.2 | S147 | S145-S147 VanDerWaalsContact C-N 3.31Å; S145-S147 PolarHBondContact O-N 2.84Å | ||
| 146 | G | 25.3 | Very low | 27.1 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | -70.7 | 84.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S144 V148 | S144-G146 PolarHBondContact O-N 2.98Å; G146-V148 PolarHBondContact O-N 2.9Å; G146-V148 VanDerWaalsContact O-N 3.08Å | ||
| 147 | S | 26.4 | Very low | 27.3 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -61 | 105.6 | 162.5 | 141.1 | 0 | 0 | 0 | 0 | 108.1 | S145 A149 | S145-S147 VanDerWaalsContact C-N 3.31Å; S145-S147 PolarHBondContact O-N 2.84Å; S147-A149 VanDerWaalsContact C-N 3.25Å; S147-A149 PolarHBondContact O-N 3.19Å | ||
| 148 | V | 29.9 | Very low | 27.4 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -70.5 | 87.7 | 171.7 | -175.6 | 0 | 0 | 0 | 0 | 107.7 | G146 T150 | G146-V148 PolarHBondContact O-N 2.9Å; G146-V148 VanDerWaalsContact O-N 3.08Å; V148-T150 PolarHBondContact O-N 2.87Å | ||
| 149 | A | 28.1 | Very low | 27.3 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | trans | -64.3 | 102 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | S147 A151 | S147-A149 VanDerWaalsContact C-N 3.25Å; S147-A149 PolarHBondContact O-N 3.19Å; A149-A151 VanDerWaalsContact C-N 3.32Å; A149-A151 PolarHBondContact O-N 2.8Å | ||
| 150 | T | 26.4 | Very low | 27.4 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -65.6 | 91.9 | 170.6 | 27.4 | 0 | 0 | 0 | 0 | 108.6 | V148 R152 | V148-T150 PolarHBondContact O-N 2.87Å; T150-R152 VanDerWaalsContact C-N 3.31Å; T150-R152 PolarHBondContact O-N 2.71Å | ||
| 151 | A | 26.9 | Very low | 27.3 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -66.8 | 90.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | A149 | A149-A151 VanDerWaalsContact C-N 3.32Å; A149-A151 PolarHBondContact O-N 2.8Å | ||
| 152 | R | 24.5 | Very low | 27.4 | Very low | 231 Ų | 231 | 134.9 Ų | 134.9 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 125.5 | 169 | -83.5 | -179.1 | 163.7 | 179.4 | -3.3 | 108.8 | T150 S154 | T150-R152 VanDerWaalsContact C-N 3.31Å; T150-R152 PolarHBondContact O-N 2.71Å; R152-S154 PolarHBondContact O-N 2.92Å | ||
| 153 | P | 29.3 | Very low | 27.6 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -66.7 | 109.6 | 176.8 | 24.7 | -30.8 | 0 | 0 | 0 | 109.6 | I155 | P153-I155 PolarHBondContact O-N 3.44Š| ||
| 154 | S | 26.9 | Very low | 27.8 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -76 | 113.3 | 173.2 | 63.9 | 0 | 0 | 0 | 0 | 109.5 | R152 L156 | R152-S154 PolarHBondContact O-N 2.92Å; S154-L156 PolarHBondContact O-N 3.28Å | ||
| 155 | I | 30.6 | Very low | 27.8 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -73.6 | 94.6 | 174.2 | -61.1 | 164.3 | 0 | 0 | 0 | 106.9 | P153 R157 | P153-I155 PolarHBondContact O-N 3.44Å; I155-R157 VanDerWaalsContact C-N 3.33Å; I155-R157 HydrophobicContact CG2-CG 4.48Å; I155-R157 PolarHBondContact O-N 3.41Å | ||
| 156 | L | 27.8 | Very low | 27.8 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -62.6 | 92.4 | 170.5 | -91.5 | 127.6 | 0 | 0 | 0 | 109.8 | S154 R158 | S154-L156 PolarHBondContact O-N 3.28Å; L156-R158 PolarHBondContact O-N 3.41Å | ||
| 157 | R | 28 | Very low | 27.9 | Very low | 235 Ų | 235 | 137.6 Ų | 137.6 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -67.8 | 89.6 | 168.1 | -73 | -179.4 | 163.7 | 175.9 | -4.3 | 108.9 | I155 K159 | I155-R157 VanDerWaalsContact C-N 3.33Å; I155-R157 HydrophobicContact CG2-CG 4.48Å; I155-R157 PolarHBondContact O-N 3.41Å; R157-K159 PolarHBondContact O-N 2.91Å | ||
| 158 | R | 27.1 | Very low | 27.8 | Very low | 221 Ų | 221 | 141 Ų | 141 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -67.7 | 112.3 | 167.2 | -74.7 | -174.9 | -166.9 | 163 | 4.6 | 108.8 | L156 V160 | L156-R158 PolarHBondContact O-N 3.41Å; R158-V160 PolarHBondContact O-N 3.43Å; R158-V160 VanDerWaalsContact O-N 3.12Å | ||
| 159 | K | 27.6 | Very low | 27.8 | Very low | 213 Ų | 213 | 140.4 Ų | 140.4 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | -59.8 | 106 | 160.9 | -97 | 178.7 | 170.4 | 178.9 | 0 | 107.6 | R157 | R157-K159 PolarHBondContact O-N 2.91Š| ||
| 160 | V | 28.6 | Very low | 27.8 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -93.4 | 111.5 | 166.9 | -178.4 | 0 | 0 | 0 | 0 | 106.7 | R158 | R158-V160 PolarHBondContact O-N 3.43Å; R158-V160 VanDerWaalsContact O-N 3.12Å | ||
| 161 | A | 27.9 | Very low | 27.9 | Very low | 79 Ų | 79 | 146 Ų | 146 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | trans | -69.1 | 145.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S163 | A161-S163 PolarHBondContact O-N 3.43Š| ||
| 162 | P | 28.7 | Very low | 28 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -68.5 | 103.3 | 180 | 26.7 | -31.9 | 0 | 0 | 0 | 109.9 | ||||
| 163 | S | 29 | Very low | 28.1 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -75.9 | 128.6 | 170.4 | -176 | 0 | 0 | 0 | 0 | 109.4 | A161 | A161-S163 PolarHBondContact O-N 3.43Š| ||
| 164 | T | 30 | Very low | 28 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -60.6 | 157.2 | 179.3 | 37.7 | 0 | 0 | 0 | 0 | 113.7 | T166 | T164-T166 PolarHBondContact O-N 3.42Š| ||
| 165 | A | 27.5 | Very low | 28.1 | Very low | 100 Ų | 100 | 153.6 Ų | 153.6 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -49.9 | 111.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 166 | T | 27.5 | Very low | 27.8 | Very low | 119 Ų | 119 | 153.3 Ų | 153.3 | 73% | 0.73 | 82% | 0.815 | S | S | * | * | trans | -94.8 | 107.9 | 164.7 | 25 | 0 | 0 | 0 | 0 | 109.6 | T164 F168 | T164-T166 PolarHBondContact O-N 3.42Å; T166-F168 PolarHBondContact O-N 2.87Å | ||
| 167 | T | 26.3 | Very low | 27.7 | Very low | 136 Ų | 136 | 153.2 Ų | 153.2 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60 | 119.5 | 172.1 | -53.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 168 | F | 24.6 | Very low | 27.7 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 77% | 0.772 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 133 | 174 | -84.5 | -92.2 | 0 | 0 | 0 | 110.9 | T166 | T166-F168 PolarHBondContact O-N 2.87Š|
| 169 | P | 31.2 | Very low | 27.6 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 129.1 | 173.9 | 27.4 | -30.9 | 0 | 0 | 0 | 110.8 | ||
| 170 | F | 27.2 | Very low | 27.6 | Very low | 202 Ų | 202 | 141.7 Ų | 141.7 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 125.6 | 174.2 | -77.5 | -92 | 0 | 0 | 0 | 110.6 | S172 | F170-S172 PolarHBondContact O-N 2.92Š|
| 171 | P | 29.5 | Very low | 27.5 | Very low | 125 Ų | 125 | 142 Ų | 142 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 120.9 | 171.4 | 23.8 | -29.1 | 0 | 0 | 0 | 110.3 | ||
| 172 | S | 28.6 | Very low | 27.4 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 132.1 | 173 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | F170 R174 | F170-S172 PolarHBondContact O-N 2.92Å; S172-R174 PolarHBondContact O-N 3.39Å |
| 173 | R | 26.5 | Very low | 27.3 | Very low | 244 Ų | 244 | 148.5 Ų | 148.5 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 118.7 | 179.7 | -61.4 | 178.6 | -177.8 | -172 | 0.2 | 110.5 | ||
| 174 | R | 27.5 | Very low | 27.3 | Very low | 234 Ų | 234 | 147.8 Ų | 147.8 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 141.6 | 162.6 | -86.8 | -171.9 | 179.4 | -163.2 | 0.2 | 109.6 | S172 T176 | S172-R174 PolarHBondContact O-N 3.39Å; R174-T176 PolarHBondContact O-N 3.47Å |
| 175 | P | 28.6 | Very low | 27.3 | Very low | 117 Ų | 117 | 150.8 Ų | 150.8 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 129.8 | -177 | 26.3 | -32.3 | 0 | 0 | 0 | 111.4 | I177 | P175-I177 PolarHBondContact O-N 2.96Š|
| 176 | T | 24.8 | Very low | 27.2 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -64.3 | 112.4 | 172.8 | 26.9 | 0 | 0 | 0 | 0 | 110.8 | R174 | R174-T176 PolarHBondContact O-N 3.47Š| ||
| 177 | I | 25.2 | Very low | 27.2 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -84.9 | 137.7 | 162.4 | -60.9 | 175 | 0 | 0 | 0 | 106.9 | P175 V179 | P175-I177 PolarHBondContact O-N 2.96Å; I177-V179 PolarHBondContact O-N 2.88Å | ||
| 178 | P | 27.8 | Very low | 27.4 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -68 | 120.7 | -174.1 | 5.8 | 4.3 | 0 | 0 | 0 | 110 | E180 | P178-E180 PolarHBondContact O-N 3.43Š| ||
| 179 | V | 25.9 | Very low | 27.7 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -77.3 | 106.8 | 169.7 | 177.2 | 0 | 0 | 0 | 0 | 106.6 | I177 | I177-V179 PolarHBondContact O-N 2.88Š| ||
| 180 | E | 26.8 | Very low | 27.6 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -53.3 | 137.9 | 168.1 | -72.1 | -177.3 | 158.2 | 0 | 0 | 110.1 | P178 L182 | P178-E180 PolarHBondContact O-N 3.43Å; E180-L182 VanDerWaalsContact C-N 3.34Å; E180-L182 PolarHBondContact O-N 3.05Å | ||
| 181 | T | 26.8 | Very low | 27.8 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -63 | 82.5 | -173.7 | 45.5 | 0 | 0 | 0 | 0 | 111.8 | Q183 | T181-Q183 PolarHBondContact O-N 2.93Å; T181-Q183 VanDerWaalsContact O-N 3.15Å | ||
| 182 | L | 25.1 | Very low | 27.7 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -73.6 | 104.2 | 163.6 | -76.9 | 166.1 | 0 | 0 | 0 | 107.9 | E180 S184 | E180-L182 VanDerWaalsContact C-N 3.34Å; E180-L182 PolarHBondContact O-N 3.05Å; L182-S184 PolarHBondContact O-N 2.89Å | ||
| 183 | Q | 27.4 | Very low | 27.8 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -58.3 | 77.8 | 164.8 | -78.1 | 178.4 | -25.1 | 0 | 0 | 109.5 | T181 Q185 | T181-Q183 PolarHBondContact O-N 2.93Å; T181-Q183 VanDerWaalsContact O-N 3.15Å; Q183-Q185 VanDerWaalsContact C-N 3.3Å; Q183-Q185 PolarHBondContact O-N 3.39Å | ||
| 184 | S | 28.8 | Very low | 27.9 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | -77.2 | 88.2 | 167.9 | 62.6 | 0 | 0 | 0 | 0 | 107.8 | L182 T186 | L182-S184 PolarHBondContact O-N 2.89Å; S184-T186 PolarHBondContact O-N 3.01Å; S184-T186 PolarHBondContact O-OG1 3.36Å | ||
| 185 | Q | 29.3 | Very low | 28.2 | Very low | 185 Ų | 185 | 122.3 Ų | 122.3 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -67.7 | 79.9 | 160.2 | -75.6 | -167 | 12.8 | 0 | 0 | 108.3 | Q183 A187 | Q183-Q185 VanDerWaalsContact C-N 3.3Å; Q183-Q185 PolarHBondContact O-N 3.39Å; Q185-A187 PolarHBondContact O-N 3.29Å; Q185-A187 VanDerWaalsContact O-N 3.11Å | ||
| 186 | T | 26.5 | Very low | 28.8 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | trans | -74.5 | 97.2 | 165.4 | -12.6 | 0 | 0 | 0 | 0 | 106.3 | S184 | S184-T186 PolarHBondContact O-N 3.01Å; S184-T186 PolarHBondContact O-OG1 3.36Å | ||
| 187 | A | 27.2 | Very low | 29.7 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 127.8 | 176 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q185 | Q185-A187 PolarHBondContact O-N 3.29Å; Q185-A187 VanDerWaalsContact O-N 3.11Å |
| 188 | P | 30.6 | Very low | 30 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -68 | 148.2 | -176.9 | 25.5 | -31.6 | 0 | 0 | 0 | 111.8 | T190 | P188-T190 PolarHBondContact O-N 3.46Š|
| 189 | A | 29.7 | Very low | 30.1 | Very low | 95 Ų | 95 | 124.7 Ų | 124.7 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 124.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V191 | A189-V191 PolarHBondContact O-N 3.05Š|
| 190 | T | 30.8 | Very low | 30.3 | Very low | 95 Ų | 95 | 123 Ų | 123 | 58% | 0.583 | 71% | 0.705 | S | S | * | * | trans | -70.7 | 114.7 | 175.4 | -19.4 | 0 | 0 | 0 | 0 | 110.3 | P188 | P188-T190 PolarHBondContact O-N 3.46Š| ||
| 191 | V | 31 | Very low | 30.4 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 66% | 0.661 | 70% | 0.698 | S | S | * | * | trans | -85.8 | 116.5 | 171.8 | -179 | 0 | 0 | 0 | 0 | 108.6 | A189 T193 | A189-V191 PolarHBondContact O-N 3.05Å; V191-T193 HydrophobicContact CG1-CG2 4.49Å | ||
| 192 | V | 26.4 | Very low | 30.6 | Very low | 88 Ų | 88 | 119.6 Ų | 119.6 | 53% | 0.533 | 68% | 0.68 | S | S | . | * | trans | -93.6 | 105.4 | 178.7 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | L199 | V192-L199 HydrophobicContact CG1-CD2 3.5Å; V192-L199 VanDerWaalsContact CG1-CD2 3.5Å | ||
| 193 | T | 31 | Very low | 31 | Very low | 87 Ų | 87 | 118 Ų | 118 | 53% | 0.534 | 68% | 0.677 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 125.7 | 167.9 | 42.8 | 0 | 0 | 0 | 0 | 110.2 | V191 | V191-T193 HydrophobicContact CG1-CG2 4.49Å |
| 194 | V | 28.4 | Very low | 31.3 | Very low | 114 Ų | 114 | 116.4 Ų | 116.4 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.3 | 110 | 175.8 | -174.6 | 0 | 0 | 0 | 0 | 108 | ||
| 195 | A | 33.8 | Very low | 31.3 | Very low | 54 Ų | 54 | 113.8 Ų | 113.8 | 45% | 0.446 | 66% | 0.663 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | D197 K198 | A195-D197 PolarHBondContact O-N 3.02Å; A195-K198 PolarHBondContact O-N 3.45Å |
| 196 | N | 41.7 | Very low | 31.4 | Very low | 155 Ų | 155 | 110.8 Ų | 110.8 | 83% | 0.829 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.8 | 57.2 | 172.9 | -65.2 | -3.2 | 0 | 0 | 0 | 114.9 | K198 | N196-K198 PolarHBondContact O-N 3.33Š|
| 197 | D | 42.9 | Very low | 31.7 | Very low | 158 Ų | 158 | 113.4 Ų | 113.4 | 85% | 0.845 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56 | 16.3 | 174.1 | -62 | -25.3 | 0 | 0 | 0 | 115.9 | A195 | A195-D197 PolarHBondContact O-N 3.02Š|
| 198 | K | 31.9 | Very low | 31.9 | Very low | 156 Ų | 156 | 113.8 Ų | 113.8 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.9 | 173.7 | -66.7 | -176.9 | -177.9 | 179.4 | 0 | 110 | A195 N196 I200 | A195-K198 PolarHBondContact O-N 3.45Å; N196-K198 PolarHBondContact O-N 3.33Å; K198-I200 PolarHBondContact O-N 3.25Å |
| 199 | L | 30.4 | Very low | 31.8 | Very low | 104 Ų | 104 | 113.7 Ų | 113.7 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.3 | 110.8 | 167.6 | -76.5 | 160.6 | 0 | 0 | 0 | 108.1 | V192 Y201 | V192-L199 HydrophobicContact CG1-CD2 3.5Å; V192-L199 VanDerWaalsContact CG1-CD2 3.5Å; L199-Y201 HydrophobicContact CB-CE2 4.26Å |
| 200 | I | 30.6 | Very low | 31.7 | Very low | 102 Ų | 102 | 112.8 Ų | 112.8 | 52% | 0.523 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 115 | 172.1 | -57.7 | 177.3 | 0 | 0 | 0 | 107.2 | K198 C202 | K198-I200 PolarHBondContact O-N 3.25Å; I200-C202 PolarHBondContact O-N 3.34Å |
| 201 | Y | 27.9 | Very low | 31.5 | Very low | 166 Ų | 166 | 115.4 Ų | 115.4 | 65% | 0.651 | 67% | 0.671 | S | S | * | * | trans | -82.4 | 103.8 | 172.8 | -67.6 | -91.8 | 0 | 0 | 0 | 108.6 | L199 V203 | L199-Y201 HydrophobicContact CB-CE2 4.26Å; Y201-V203 PolarHBondContact O-N 2.94Å | ||
| 202 | C | 31.6 | Very low | 31.4 | Very low | 71 Ų | 71 | 118.5 Ų | 118.5 | 48% | 0.48 | 68% | 0.682 | S | S | . | * | trans | -81.9 | 103.5 | 169.1 | -64.1 | 0 | 0 | 0 | 0 | 108.2 | I200 | I200-C202 PolarHBondContact O-N 3.34Š| ||
| 203 | V | 32.7 | Very low | 31.5 | Very low | 125 Ų | 125 | 119 Ų | 119 | 76% | 0.758 | 69% | 0.689 | S | S | * | * | trans | -91.7 | 102.5 | 169.2 | -177.8 | 0 | 0 | 0 | 0 | 106.6 | Y201 G205 | Y201-V203 PolarHBondContact O-N 2.94Å; V203-G205 PolarHBondContact O-N 2.95Å | ||
| 204 | D | 33 | Very low | 31.4 | Very low | 154 Ų | 154 | 119.6 Ų | 119.6 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | trans | -73.3 | 69.8 | 168.1 | -76.1 | -22.9 | 0 | 0 | 0 | 108.5 | ||||
| 205 | G | 29.2 | Very low | 31.3 | Very low | 44 Ų | 44 | 122.5 Ų | 122.5 | 45% | 0.454 | 71% | 0.709 | S | S | . | * | trans | -67.4 | 134.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | V203 L207 | V203-G205 PolarHBondContact O-N 2.95Å; G205-L207 PolarHBondContact O-N 3.3Å; G205-L207 VanDerWaalsContact O-N 3.15Å | ||
| 206 | P | 32.7 | Very low | 31 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | trans | -56.4 | 126.8 | 171.3 | 23.6 | -30.9 | 0 | 0 | 0 | 107.9 | S208 | P206-S208 PolarHBondContact O-N 3.01Š| ||
| 207 | L | 31.5 | Very low | 30.6 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 92% | 0.916 | 73% | 0.733 | S | S | * | * | trans | -62.8 | 74.3 | 165.8 | -68.3 | 168.6 | 0 | 0 | 0 | 107.5 | G205 S209 | G205-L207 PolarHBondContact O-N 3.3Å; G205-L207 VanDerWaalsContact O-N 3.15Å; L207-S209 PolarHBondContact O-N 3.43Å | ||
| 208 | S | 31.3 | Very low | 30 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | -70.3 | 104.1 | 173.1 | -171.3 | 0 | 0 | 0 | 0 | 105.9 | P206 A210 | P206-S208 PolarHBondContact O-N 3.01Å; S208-A210 PolarHBondContact O-N 3.48Å | ||
| 209 | S | 28.1 | Very low | 29.7 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -66.2 | 66.9 | 164.7 | 27.6 | 0 | 0 | 0 | 0 | 108.1 | L207 N211 | L207-S209 PolarHBondContact O-N 3.43Å; S209-N211 PolarHBondContact O-N 3.47Å | ||
| 210 | A | 29.6 | Very low | 29.9 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | -81.1 | 107.1 | 171 | 0 | 0 | 0 | 0 | 0 | 107.1 | S208 I212 | S208-A210 PolarHBondContact O-N 3.48Å; A210-I212 PolarHBondContact O-N 3.28Å | ||
| 211 | N | 26.5 | Very low | 29.7 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -42.6 | 130.1 | 172 | -69.7 | -47.5 | 0 | 0 | 0 | 110.8 | S209 S213 | S209-N211 PolarHBondContact O-N 3.47Å; N211-S213 PolarHBondContact O-N 3.49Å | ||
| 212 | I | 27.8 | Very low | 30 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 89% | 0.892 | 78% | 0.775 | S | S | * | * | trans | -68 | 85.5 | 169.6 | -57.3 | 159.9 | 0 | 0 | 0 | 106.4 | A210 | A210-I212 PolarHBondContact O-N 3.28Š| ||
| 213 | S | 29.4 | Very low | 30 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -87.6 | 104 | 164.5 | 49.7 | 0 | 0 | 0 | 0 | 107.7 | N211 E215 | N211-S213 PolarHBondContact O-N 3.49Å; S213-E215 VanDerWaalsContact C-N 3.28Å; S213-E215 PolarHBondContact O-N 2.71Å | ||
| 214 | A | 27.4 | Very low | 29.8 | Very low | 100 Ų | 100 | 142 Ų | 142 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -68.5 | 84 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 215 | E | 28 | Very low | 29.6 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -92.3 | 102.7 | 171.6 | -137 | 168.9 | -164.2 | 0 | 0 | 108.6 | S213 L217 | S213-E215 VanDerWaalsContact C-N 3.28Å; S213-E215 PolarHBondContact O-N 2.71Å; E215-L217 PolarHBondContact O-N 2.73Å | ||
| 216 | K | 27.3 | Very low | 29.8 | Very low | 207 Ų | 207 | 146.4 Ų | 146.4 | 90% | 0.9 | 81% | 0.806 | S | S | * | * | trans | -57.2 | 109.9 | 163.6 | -86.7 | 175.6 | 167.4 | -179.2 | 0 | 107.6 | ||||
| 217 | L | 31.8 | Very low | 29.6 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -119.1 | 126.4 | 163.5 | -152.9 | 77 | 0 | 0 | 0 | 108.6 | E215 | E215-L217 PolarHBondContact O-N 2.73Š| ||
| 218 | E | 30.9 | Very low | 29.7 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -64.5 | 150.5 | -166.7 | -65.3 | 178.8 | 139.7 | 0 | 0 | 113.9 | P220 | E218-P220 WeakPolarHBondContact O-CD 3.34Š| ||
| 219 | E | 26.9 | Very low | 29.7 | Very low | 184 Ų | 184 | 150.4 Ų | 150.4 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -58.4 | 126.4 | 172.7 | -70.8 | 174.9 | 135.7 | 0 | 0 | 111.9 | Q221 | E219-Q221 PolarHBondContact O-N 2.93Š| ||
| 220 | P | 32.8 | Very low | 29.9 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -81 | 112.6 | 154.3 | 22.9 | -13.6 | 0 | 0 | 0 | 108.8 | E218 L222 | E218-P220 WeakPolarHBondContact O-CD 3.34Å; P220-L222 PolarHBondContact O-N 3.13Å; P220-L222 VanDerWaalsContact O-N 3.07Å | ||
| 221 | Q | 28.1 | Very low | 30.2 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -58.9 | 105.4 | 164 | -70.8 | -174.5 | -26.8 | 0 | 0 | 109 | E219 | E219-Q221 PolarHBondContact O-N 2.93Š| ||
| 222 | L | 34.3 | Very low | 30.6 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 82% | 0.817 | 81% | 0.808 | S | S | * | * | trans | -114.6 | 119.4 | 164.3 | -80.5 | 168.5 | 0 | 0 | 0 | 109.5 | P220 | P220-L222 PolarHBondContact O-N 3.13Å; P220-L222 VanDerWaalsContact O-N 3.07Å | ||
| 223 | T | 30.7 | Very low | 30.9 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -44.1 | 136 | 178 | 41.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 224 | E | 28.2 | Very low | 31.3 | Very low | 175 Ų | 175 | 155 Ų | 155 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -6.2 | 143.4 | 151.8 | -63.3 | 174.4 | 161.2 | 0 | 0 | 118.9 | ||
| 225 | N | 29.7 | Very low | 31.9 | Very low | 148 Ų | 148 | 159.7 Ų | 159.7 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | 87.4 | 82.5 | 165.9 | -56 | -33.5 | 0 | 0 | 0 | 116.3 | ||||
| 226 | D | 33.6 | Very low | 32.4 | Very low | 144 Ų | 144 | 162.4 Ų | 162.4 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | -154.8 | 121.8 | 127 | -93.4 | -34.2 | 0 | 0 | 0 | 110 | Y228 | D226-Y228 HydrophobicContact CB-CD2 4.2Å; D226-Y228 HydrophobicContact CB-CE2 4.34Å; D226-Y228 PolarHBondContact O-N 3.42Å | |||
| 227 | G | 28.9 | Very low | 33 | Very low | 78 Ų | 78 | 158.7 Ų | 158.7 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -70.5 | 60.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F229 | G227-F229 PolarHBondContact O-N 2.99Š| ||
| 228 | Y | 32.1 | Very low | 33.4 | Very low | 208 Ų | 208 | 161.8 Ų | 161.8 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | trans | -71.5 | 101.6 | 163.6 | -80.9 | -85.1 | 0 | 0 | 0 | 108.3 | D226 A230 | D226-Y228 HydrophobicContact CB-CD2 4.2Å; D226-Y228 HydrophobicContact CB-CE2 4.34Å; D226-Y228 PolarHBondContact O-N 3.42Å; Y228-A230 PolarHBondContact O-N 2.93Å | ||
| 229 | F | 31.4 | Very low | 33.9 | Very low | 192 Ų | 192 | 162.9 Ų | 162.9 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -50.6 | 93.7 | 159.4 | -90.1 | -96 | 0 | 0 | 0 | 108 | G227 S231 | G227-F229 PolarHBondContact O-N 2.99Å; F229-S231 PolarHBondContact O-N 3.31Å | ||
| 230 | A | 33.2 | Very low | 34.3 | Very low | 92 Ų | 92 | 162.7 Ų | 162.7 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -57.5 | 94.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | Y228 S232 | Y228-A230 PolarHBondContact O-N 2.93Å; A230-S232 PolarHBondContact O-N 3.01Å | ||
| 231 | S | 34.5 | Very low | 34.5 | Very low | 111 Ų | 111 | 166.5 Ų | 166.5 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -61.4 | 92.8 | 169 | -64.2 | 0 | 0 | 0 | 0 | 105 | F229 E233 | F229-S231 PolarHBondContact O-N 3.31Å; S231-E233 PolarHBondContact O-N 2.82Å | ||
| 232 | S | 35.5 | Very low | 35.1 | Very low | 95 Ų | 95 | 165.2 Ų | 165.2 | 66% | 0.664 | 82% | 0.823 | S | S | * | * | trans | -52.8 | 117 | -175.1 | 78.3 | 0 | 0 | 0 | 0 | 106.9 | A230 R234 | A230-S232 PolarHBondContact O-N 3.01Å; S232-R234 VanDerWaalsContact C-N 3.29Å; S232-R234 PolarHBondContact O-N 3.38Å | ||
| 233 | E | 34.8 | Very low | 35.1 | Very low | 183 Ų | 183 | 159.7 Ų | 159.7 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -51.4 | 103 | 167.5 | -71.8 | -173.6 | 146.6 | 0 | 0 | 106.6 | S231 K235 | S231-E233 PolarHBondContact O-N 2.82Å; E233-K235 VanDerWaalsContact C-N 3.26Å; E233-K235 PolarHBondContact O-N 3.41Å | ||
| 234 | R | 37.7 | Very low | 35.4 | Very low | 228 Ų | 228 | 161.1 Ų | 161.1 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -61.4 | 100.8 | 173.3 | -73.2 | -174.6 | -177.6 | -159.7 | 1 | 105.1 | S232 R236 | S232-R234 VanDerWaalsContact C-N 3.29Å; S232-R234 PolarHBondContact O-N 3.38Å; R234-R236 PolarHBondContact O-N 2.8Å | ||
| 235 | K | 39.1 | Very low | 35.7 | Very low | 199 Ų | 199 | 162.2 Ų | 162.2 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | -41.7 | 109.1 | 172.3 | -75.8 | -174.2 | 175.7 | 177.7 | 0 | 107.2 | E233 | E233-K235 VanDerWaalsContact C-N 3.26Å; E233-K235 PolarHBondContact O-N 3.41Å | ||
| 236 | R | 38.2 | Very low | 36 | Very low | 234 Ų | 234 | 159.4 Ų | 159.4 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -53.8 | 129.6 | 175.2 | -69 | 179.7 | 177.4 | 169 | -0.1 | 107 | R234 R238 | R234-R236 PolarHBondContact O-N 2.8Å; R236-R238 PolarHBondContact O-N 3.12Å; R236-R238 VanDerWaalsContact O-N 3.15Å | ||
| 237 | P | 40.7 | Very low | 36.4 | Very low | 128 Ų | 128 | 159 Ų | 159 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -54.6 | 126.8 | -178.6 | 18.9 | -28.9 | 0 | 0 | 0 | 108.8 | K239 | P237-K239 PolarHBondContact O-N 3.23Š| ||
| 238 | R | 39.9 | Very low | 36.7 | Very low | 234 Ų | 234 | 166.2 Ų | 166.2 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -44.9 | 133.5 | 173.3 | -89.5 | 178 | 166.3 | 136.1 | -5.1 | 108.3 | R236 Q240 | R236-R238 PolarHBondContact O-N 3.12Å; R236-R238 VanDerWaalsContact O-N 3.15Å; R238-Q240 VanDerWaalsContact C-N 3.35Å; R238-Q240 PolarHBondContact O-N 3.3Å | ||
| 239 | K | 40.7 | Very low | 36.9 | Very low | 204 Ų | 204 | 162.5 Ų | 162.5 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -35.7 | 98.4 | 169 | -71.7 | 177.2 | 175.8 | 179.6 | 0 | 109 | P237 Q241 | P237-K239 PolarHBondContact O-N 3.23Å; K239-Q241 PolarHBondContact O-N 3.33Å; K239-Q241 VanDerWaalsContact O-N 3.12Å | ||
| 240 | Q | 37 | Very low | 37.4 | Very low | 181 Ų | 181 | 160 Ų | 160 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -62.1 | 118.5 | 163.9 | -93.6 | 179.1 | -20.4 | 0 | 0 | 104.5 | R238 L242 | R238-Q240 VanDerWaalsContact C-N 3.35Å; R238-Q240 PolarHBondContact O-N 3.3Å; Q240-L242 VanDerWaalsContact C-N 3.31Å; Q240-L242 PolarHBondContact O-N 3.01Å | ||
| 241 | Q | 35.5 | Very low | 37.3 | Very low | 190 Ų | 190 | 166.5 Ų | 166.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -51.7 | 104.1 | 164.3 | -70.1 | 173.1 | -24.1 | 0 | 0 | 105.7 | K239 G243 | K239-Q241 PolarHBondContact O-N 3.33Å; K239-Q241 VanDerWaalsContact O-N 3.12Å; Q241-G243 PolarHBondContact O-N 3.49Å | ||
| 242 | L | 41.1 | Very low | 37.4 | Very low | 161 Ų | 161 | 167 Ų | 167 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -67.3 | 84.9 | 161.9 | -93 | 146.7 | 0 | 0 | 0 | 104.7 | Q240 D244 | Q240-L242 VanDerWaalsContact C-N 3.31Å; Q240-L242 PolarHBondContact O-N 3.01Å; L242-D244 PolarHBondContact O-N 3.35Å | ||
| 243 | G | 33.6 | Very low | 37.5 | Very low | 40 Ų | 40 | 168.6 Ų | 168.6 | 41% | 0.412 | 81% | 0.808 | S | S | . | * | trans | -58.6 | 122.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q241 F245 | Q241-G243 PolarHBondContact O-N 3.49Å; G243-F245 PolarHBondContact O-N 2.92Å | ||
| 244 | D | 37.1 | Very low | 37.5 | Very low | 159 Ų | 159 | 165.2 Ų | 165.2 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | 33.7 | 61.6 | 131.9 | -51.9 | -25.3 | 0 | 0 | 0 | 115.5 | L242 S246 | L242-D244 PolarHBondContact O-N 3.35Å; D244-S246 PolarHBondContact O-N 3.46Å; D244-S246 VanDerWaalsContact O-N 3.11Å | ||
| 245 | F | 36.1 | Very low | 37.3 | Very low | 198 Ų | 198 | 160.8 Ų | 160.8 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -81.1 | 68.4 | 151.2 | -77 | -79.3 | 0 | 0 | 0 | 108 | G243 | G243-F245 PolarHBondContact O-N 2.92Š| ||
| 246 | S | 36.4 | Very low | 37.2 | Very low | 88 Ų | 88 | 161.1 Ų | 161.1 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | trans | -69.9 | 148.4 | 151.9 | -166.5 | 0 | 0 | 0 | 0 | 107.8 | D244 | D244-S246 PolarHBondContact O-N 3.46Å; D244-S246 VanDerWaalsContact O-N 3.11Å | ||
| 247 | D | 41.7 | Very low | 36.9 | Very low | 135 Ų | 135 | 158.2 Ų | 158.2 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | 84.9 | 54.2 | 163.1 | -48.2 | -12.3 | 0 | 0 | 0 | 118 | ||||
| 248 | R | 33.7 | Very low | 36.5 | Very low | 230 Ų | 230 | 163.9 Ų | 163.9 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -118.6 | 80.9 | 142.6 | -77.2 | -167.5 | 175.3 | 174.6 | -1.9 | 111 | D250 | R248-D250 PolarHBondContact O-N 2.82Š| ||
| 249 | T | 37.5 | Very low | 36 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -63.7 | 78.6 | 156.7 | 40.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 250 | D | 41.1 | Very low | 35.6 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | -116.5 | 38.9 | 160.4 | -72.1 | -36.8 | 0 | 0 | 0 | 109.6 | R248 P252 | R248-D250 PolarHBondContact O-N 2.82Å; D250-P252 VanDerWaalsContact O-CD 3.27Å; D250-P252 WeakPolarHBondContact O-CD 3.41Å | ||
| 251 | R | 31.8 | Very low | 35.4 | Very low | 229 Ų | 229 | 147.8 Ų | 147.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -75.2 | 112.6 | 163.4 | -162.3 | 173.5 | -167.1 | 162.5 | 2.5 | 105.5 | T253 | R251-T253 PolarHBondContact O-N 2.84Š| ||
| 252 | P | 36.9 | Very low | 35.2 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -60.9 | 110.5 | 177.8 | 24.3 | -30.8 | 0 | 0 | 0 | 107.1 | D250 S254 | D250-P252 VanDerWaalsContact O-CD 3.27Å; D250-P252 WeakPolarHBondContact O-CD 3.41Å; P252-S254 PolarHBondContact O-N 3.17Å | ||
| 253 | T | 37.5 | Very low | 34.7 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -60.6 | 122.1 | 171 | 44.6 | 0 | 0 | 0 | 0 | 107 | R251 D255 | R251-T253 PolarHBondContact O-N 2.84Å; T253-D255 PolarHBondContact O-N 3.37Å | ||
| 254 | S | 34.9 | Very low | 34.5 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -55 | 97 | 172.2 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | P252 | P252-S254 PolarHBondContact O-N 3.17Š|
| 255 | D | 32.8 | Very low | 34.2 | Very low | 136 Ų | 136 | 150 Ų | 150 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -172 | 59.3 | 160.1 | -98.2 | -27.6 | 0 | 0 | 0 | 111.7 | T253 | T253-D255 PolarHBondContact O-N 3.37Š| ||
| 256 | E | 36.1 | Very low | 34 | Very low | 205 Ų | 205 | 145.4 Ų | 145.4 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | trans | -110.5 | 74.5 | 153.6 | -89.8 | -170.4 | 152.3 | 0 | 0 | 109.6 | R258 | E256-R258 PolarHBondContact O-N 3.47Š| ||
| 257 | K | 33 | Very low | 33.6 | Very low | 173 Ų | 173 | 146 Ų | 146 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -62.6 | 120.7 | 145.4 | -75.3 | 176.2 | 177.2 | 167.5 | 0 | 108 | ||||
| 258 | R | 32.1 | Very low | 33.3 | Very low | 247 Ų | 247 | 151.6 Ų | 151.6 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | 134.7 | 120 | 138.5 | -76.1 | 167.6 | -177.9 | -149.8 | 0.8 | 111.7 | E256 | E256-R258 PolarHBondContact O-N 3.47Š| ||
| 259 | G | 28.9 | Very low | 33.1 | Very low | 73 Ų | 73 | 147.3 Ų | 147.3 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | 141.3 | 127.2 | 132.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 260 | S | 32.3 | Very low | 33 | Very low | 122 Ų | 122 | 148 Ų | 148 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | 75.7 | 92.9 | 159 | -63 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 261 | A | 33.9 | Very low | 32.4 | Very low | 86 Ų | 86 | 150.9 Ų | 150.9 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | 75.6 | 126 | 66.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 262 | N | 31.4 | Very low | 32.5 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | 86.2 | 68.4 | 156.2 | -59.7 | -15.6 | 0 | 0 | 0 | 119.1 | ||||
| 263 | G | 30.7 | Very low | 32.3 | Very low | 87 Ų | 87 | 143.7 Ų | 143.7 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -118.7 | 85.3 | 142.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 264 | R | 27.8 | Very low | 32.1 | Very low | 213 Ų | 213 | 147.4 Ų | 147.4 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -95.2 | 110.2 | -170.8 | 176.5 | -173.3 | -173.3 | -178.4 | 3.1 | 110.5 | V266 | R264-V266 HydrophobicContact CG-CG2 4.1Š| ||
| 265 | V | 32.5 | Very low | 32 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -149.1 | 85.3 | 152.9 | -161.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 266 | V | 31.3 | Very low | 31.8 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 62% | 0.624 | 83% | 0.829 | S | S | * | * | 55.1 | 91.7 | 93.3 | -174 | 0 | 0 | 0 | 0 | 113.8 | R264 | R264-V266 HydrophobicContact CG-CG2 4.1Š| |||
| 267 | S | 28.5 | Very low | 31.6 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 82% | 0.821 | S | S | * | * | 65.7 | 111.8 | 124.5 | -43.8 | 0 | 0 | 0 | 0 | 120 | |||||
| 268 | R | 33.8 | Very low | 31.5 | Very low | 253 Ų | 253 | 142.5 Ų | 142.5 | 96% | 0.955 | 82% | 0.819 | S | S | * | * | -171.6 | 92.6 | 114 | -96.4 | 170.8 | -158.9 | -157.3 | 6.3 | 109.4 | |||||
| 269 | T | 30.1 | Very low | 31.7 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 127.8 | 159.4 | 43.2 | 0 | 0 | 0 | 0 | 108.7 | ||
| 270 | V | 34.9 | Very low | 31.9 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 129.8 | 162.5 | 175.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 271 | K | 29.8 | Very low | 31.8 | Very low | 199 Ų | 199 | 141.2 Ų | 141.2 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 141.4 | 173.7 | -72.5 | 169.6 | 169.4 | 175.9 | 0 | 111.1 | ||
| 272 | A | 33.7 | Very low | 31.7 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | 168.1 | 94.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 273 | A | 31.6 | Very low | 31.8 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | 65.7 | 91.7 | 88.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 274 | K | 34.7 | Very low | 31.6 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -122.7 | 126.4 | 151.8 | -102.4 | 178 | 178.4 | 175.5 | 0 | 108 | ||||
| 275 | A | 33.2 | Very low | 31.8 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -72.4 | 134.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 276 | V | 27.6 | Very low | 31.5 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 76% | 0.758 | 80% | 0.799 | S | S | * | * | trans | -73.7 | 125.8 | 167.4 | 170.6 | 0 | 0 | 0 | 0 | 108 | V278 | V276-V278 HydrophobicContact CG1-CG2 3.49Å; V276-V278 VanDerWaalsContact CG1-CG2 3.49Å | ||
| 277 | H | 31.8 | Very low | 31.5 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -124.8 | 97.3 | 159.5 | -164.6 | -63.2 | 0 | 0 | 0 | 108.3 | S279 | H277-S279 PolarHBondContact O-N 2.98Š| ||
| 278 | V | 31.3 | Very low | 31.5 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -85.5 | 107.7 | 169.3 | -167.5 | 0 | 0 | 0 | 0 | 106.2 | V276 | V276-V278 HydrophobicContact CG1-CG2 3.49Å; V276-V278 VanDerWaalsContact CG1-CG2 3.49Å | ||
| 279 | S | 36.4 | Very low | 31.1 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | -92.1 | 111.7 | 167.1 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | H277 | H277-S279 PolarHBondContact O-N 2.98Š| ||
| 280 | S | 31.9 | Very low | 31.2 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -82.7 | 117.9 | 168.8 | 40.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 281 | R | 31.1 | Very low | 31.1 | Very low | 206 Ų | 206 | 137 Ų | 137 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | -131 | 111.8 | 159.3 | -164.5 | 168.8 | 179.8 | 158.4 | -2.2 | 109.3 | E283 | R281-E283 IonicContact CZ-OE1 3.35Å; R281-E283 IonicContact NE-OE1 3.06Å; R281-E283 PolarHBondContact NE-OE1 3.19Å; R281-E283 IonicContact NH2-OE1 2.76Å; R281-E283 PolarHBondContact NH2-OE1 3.38Å | ||
| 282 | A | 30.8 | Very low | 31.3 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -93.2 | 117.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 283 | E | 34.3 | Very low | 31.2 | Very low | 144 Ų | 144 | 143 Ų | 143 | 67% | 0.673 | 80% | 0.804 | S | S | * | * | trans | -147.6 | 113.8 | 157 | -69 | 179.2 | -160.6 | 0 | 0 | 103 | R281 | R281-E283 IonicContact CZ-OE1 3.35Å; R281-E283 IonicContact NE-OE1 3.06Å; R281-E283 PolarHBondContact NE-OE1 3.19Å; R281-E283 IonicContact NH2-OE1 2.76Å; R281-E283 PolarHBondContact NH2-OE1 3.38Å | ||
| 284 | G | 26.6 | Very low | 31.5 | Very low | 75 Ų | 75 | 144.8 Ų | 144.8 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | cis | 91.3 | 60.9 | 25.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 285 | T | 32.1 | Very low | 31.4 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -145.8 | 111.1 | 153.9 | 46.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 286 | S | 25.1 | Very low | 31.2 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -74.3 | 142.9 | 159.7 | 54 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 287 | S | 32.7 | Very low | 31.6 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -138.8 | 117.1 | 158.3 | -178.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 288 | E | 27.1 | Very low | 31.4 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 77% | 0.771 | 81% | 0.807 | S | S | * | * | trans | -75.1 | 172.1 | 178.3 | -70.6 | 175.7 | 120.4 | 0 | 0 | 113 | ||||
| 289 | E | 25.9 | Very low | 31.4 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | 71.8 | 112.8 | 146.6 | -86.4 | -173.8 | 139.8 | 0 | 0 | 119.9 | ||||
| 290 | S | 33.7 | Very low | 31.2 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | -173.6 | 104.4 | 105.4 | 29.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 291 | E | 31.7 | Very low | 31 | Very low | 180 Ų | 180 | 155 Ų | 155 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -75.4 | 118.4 | 163 | -72.1 | -172.9 | 152.7 | 0 | 0 | 109.4 | ||||
| 292 | K | 34.7 | Very low | 31.1 | Very low | 192 Ų | 192 | 151.3 Ų | 151.3 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -108.4 | 99.2 | 165.3 | -84.3 | -177.8 | 177.2 | 175.7 | 0 | 109.7 | ||||
| 293 | R | 31.5 | Very low | 30.8 | Very low | 229 Ų | 229 | 155.7 Ų | 155.7 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -67.8 | 125.6 | 159.9 | -73.2 | 179.3 | -178.9 | 179.8 | 0.7 | 108.5 | ||||
| 294 | V | 37.2 | Very low | 30.8 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -120.9 | 129.6 | 165.6 | 178 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 295 | E | 32.5 | Very low | 30.8 | Very low | 182 Ų | 182 | 158.7 Ų | 158.7 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -68.6 | 154.9 | -167.2 | -68.2 | 171.1 | 131.8 | 0 | 0 | 115.3 | ||||
| 296 | E | 29.5 | Very low | 30.4 | Very low | 172 Ų | 172 | 161.4 Ų | 161.4 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -51.9 | 133.6 | 170.1 | -60.2 | 178.9 | 132.1 | 0 | 0 | 113.3 | ||||
| 297 | K | 35 | Very low | 30.7 | Very low | 212 Ų | 212 | 160.6 Ų | 160.6 | 92% | 0.922 | 83% | 0.829 | S | S | * | * | trans | -111.3 | 108.7 | 158.4 | -87.4 | -176.8 | 175.4 | 176.9 | 0 | 109.9 | ||||
| 298 | K | 27.8 | Very low | 30.4 | Very low | 190 Ų | 190 | 162.6 Ų | 162.6 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | -78.1 | 125 | 165 | -79.3 | 174.9 | 177.4 | 166.2 | 0 | 110.1 | ||||
| 299 | A | 31.9 | Very low | 30.7 | Very low | 100 Ų | 100 | 159.3 Ų | 159.3 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | -170.2 | 146.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 300 | A | 32.4 | Very low | 30.8 | Very low | 87 Ų | 87 | 160.5 Ų | 160.5 | 72% | 0.719 | 83% | 0.83 | S | S | * | * | cis | -155.7 | 143.5 | -17.8 | 0 | 0 | 0 | 0 | 0 | 103.8 | V302 | A300-V302 PolarHBondContact O-N 3.5Š| ||
| 301 | K | 28 | Very low | 30.9 | Very low | 212 Ų | 212 | 160.9 Ų | 160.9 | 92% | 0.922 | 83% | 0.828 | S | S | * | * | trans | -60.2 | 117.6 | 172.9 | -93.9 | 176.8 | 167.7 | -179.8 | 0 | 108.8 | ||||
| 302 | V | 32 | Very low | 31 | Very low | 128 Ų | 128 | 156.5 Ų | 156.5 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -114 | 108.9 | 160 | 177.9 | 0 | 0 | 0 | 0 | 106.5 | A300 | A300-V302 PolarHBondContact O-N 3.5Š| ||
| 303 | E | 26.2 | Very low | 30.9 | Very low | 191 Ų | 191 | 158.5 Ų | 158.5 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | trans | -90.3 | 109.4 | 177.7 | -159.8 | 168.1 | -149.5 | 0 | 0 | 106.3 | ||||
| 304 | S | 32.7 | Very low | 30.9 | Very low | 105 Ų | 105 | 158.1 Ų | 158.1 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | -125.7 | 116.5 | 173.9 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 305 | H | 26.6 | Very low | 30.7 | Very low | 178 Ų | 178 | 159.1 Ų | 159.1 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -6.5 | 127.3 | 163.7 | -65.7 | -78.7 | 0 | 0 | 0 | 121.3 | ||||
| 306 | K | 24.4 | Very low | 30.7 | Very low | 201 Ų | 201 | 158 Ų | 158 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | 14.9 | 114.8 | 131.4 | -72.7 | 179.4 | 173.8 | 179.8 | 0 | 117.7 | ||||
| 307 | A | 31.5 | Very low | 30.7 | Very low | 98 Ų | 98 | 156.9 Ų | 156.9 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -149.4 | 110.7 | 141.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | S309 | A307-S309 PolarHBondContact O-N 3.32Š| ||
| 308 | D | 26.7 | Very low | 30.4 | Very low | 165 Ų | 165 | 155.3 Ų | 155.3 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | -60.8 | 117.4 | 170.9 | -67.2 | -55.6 | 0 | 0 | 0 | 110.3 | ||||
| 309 | S | 32.9 | Very low | 30.7 | Very low | 96 Ų | 96 | 153.5 Ų | 153.5 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | trans | -149.7 | 118.8 | 149 | 62.4 | 0 | 0 | 0 | 0 | 109.6 | A307 T311 | A307-S309 PolarHBondContact O-N 3.32Å; S309-T311 PolarHBondContact O-N 3.43Å; S309-T311 PolarHBondContact O-OG1 3.43Å | ||
| 310 | H | 28.9 | Very low | 30.7 | Very low | 201 Ų | 201 | 153 Ų | 153 | 93% | 0.931 | 80% | 0.797 | S | S | * | * | trans | -64.3 | 72.4 | 172.4 | -77.9 | -79.3 | 0 | 0 | 0 | 110.1 | A312 | H310-A312 PolarHBondContact O-N 3.25Š| ||
| 311 | T | 34.2 | Very low | 30.9 | Very low | 119 Ų | 119 | 154.9 Ų | 154.9 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | -83.3 | 105.2 | 172.3 | -8.3 | 0 | 0 | 0 | 0 | 108.1 | S309 R313 | S309-T311 PolarHBondContact O-N 3.43Å; S309-T311 PolarHBondContact O-OG1 3.43Å; T311-R313 PolarHBondContact O-N 2.93Å | ||
| 312 | A | 34.2 | Very low | 31 | Very low | 88 Ų | 88 | 154.6 Ų | 154.6 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 8.7 | 103.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H310 R314 | H310-A312 PolarHBondContact O-N 3.25Å; A312-R314 PolarHBondContact O-N 3.06Å | ||
| 313 | R | 32.6 | Very low | 31.1 | Very low | 234 Ų | 234 | 155.2 Ų | 155.2 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -52.5 | 86.6 | 174.7 | -164.3 | 177.9 | -173.4 | 179.6 | 1.9 | 109.7 | T311 Q315 | T311-R313 PolarHBondContact O-N 2.93Å; R313-Q315 VanDerWaalsContact C-N 3.32Å; R313-Q315 PolarHBondContact O-N 2.87Å | ||
| 314 | R | 31.1 | Very low | 31.6 | Very low | 221 Ų | 221 | 150.9 Ų | 150.9 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -66.9 | 95.7 | 174.8 | -163.9 | 178.3 | -179.4 | -158.8 | -0.7 | 105.2 | A312 Q316 | A312-R314 PolarHBondContact O-N 3.06Å; R314-Q316 PolarHBondContact O-N 3.07Å | ||
| 315 | Q | 34.2 | Very low | 31.8 | Very low | 161 Ų | 161 | 155.6 Ų | 155.6 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -61.9 | 95.2 | 174.3 | -67.5 | -173.7 | 3.7 | 0 | 0 | 106.9 | R313 L317 | R313-Q315 VanDerWaalsContact C-N 3.32Å; R313-Q315 PolarHBondContact O-N 2.87Å; Q315-L317 PolarHBondContact O-N 3.26Å | ||
| 316 | Q | 32.6 | Very low | 32.3 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -64.8 | 107.3 | 163.2 | -76.1 | -174.5 | -22.6 | 0 | 0 | 105 | R314 H318 | R314-Q316 PolarHBondContact O-N 3.07Å; Q316-H318 VanDerWaalsContact C-N 3.26Å; Q316-H318 PolarHBondContact O-N 3.08Å | ||
| 317 | L | 29.7 | Very low | 32.7 | Very low | 150 Ų | 150 | 146 Ų | 146 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -59 | 99.8 | 165.9 | -69.1 | 169.3 | 0 | 0 | 0 | 106 | Q315 L319 | Q315-L317 PolarHBondContact O-N 3.26Å; L317-L319 PolarHBondContact O-N 3.3Å | ||
| 318 | H | 28.4 | Very low | 32.9 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | -65.7 | 91 | 165.2 | -121.2 | -83 | 0 | 0 | 0 | 105 | Q316 S320 | Q316-H318 VanDerWaalsContact C-N 3.26Å; Q316-H318 PolarHBondContact O-N 3.08Å; H318-S320 PolarHBondContact O-N 3.32Å | ||
| 319 | L | 33.8 | Very low | 33.2 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -59.6 | 99 | 162.6 | -75.7 | 160.3 | 0 | 0 | 0 | 104.4 | L317 V321 | L317-L319 PolarHBondContact O-N 3.3Å; L319-V321 VanDerWaalsContact C-N 3.27Å; L319-V321 PolarHBondContact O-N 3.23Å | ||
| 320 | S | 31.9 | Very low | 33.4 | Very low | 91 Ų | 91 | 151 Ų | 151 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | -57.3 | 104.4 | 166.7 | 56.6 | 0 | 0 | 0 | 0 | 104.8 | H318 R322 | H318-S320 PolarHBondContact O-N 3.32Å; S320-R322 PolarHBondContact O-N 2.76Å | ||
| 321 | V | 36.7 | Very low | 33.9 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 76% | 0.758 | 73% | 0.733 | S | S | * | * | trans | -63.6 | 80 | 162.9 | -176.9 | 0 | 0 | 0 | 0 | 103.7 | L319 D323 | L319-V321 VanDerWaalsContact C-N 3.27Å; L319-V321 PolarHBondContact O-N 3.23Å; V321-D323 PolarHBondContact O-N 3.37Å; V321-D323 VanDerWaalsContact O-N 3.11Å | ||
| 322 | R | 29.8 | Very low | 33.9 | Very low | 206 Ų | 206 | 145.5 Ų | 145.5 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | trans | -59.6 | 119.1 | 162.8 | -94.6 | -177.7 | 169.8 | 149.2 | -1.3 | 102.9 | S320 T324 | S320-R322 PolarHBondContact O-N 2.76Å; R322-T324 HydrophobicContact CB-CG2 4.43Å; R322-T324 PolarHBondContact O-N 2.69Å | ||
| 323 | D | 35.2 | Very low | 34.3 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | trans | -57.5 | 71.6 | 168.9 | -66.4 | -43.4 | 0 | 0 | 0 | 108.7 | V321 K325 | V321-D323 PolarHBondContact O-N 3.37Å; V321-D323 VanDerWaalsContact O-N 3.11Å; D323-K325 PolarHBondContact O-N 3.07Å | ||
| 324 | T | 36.3 | Very low | 34.5 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 62% | 0.62 | 70% | 0.699 | S | S | * | * | trans | -72.3 | 86 | 164.4 | 55.7 | 0 | 0 | 0 | 0 | 103.9 | R322 S326 | R322-T324 HydrophobicContact CB-CG2 4.43Å; R322-T324 PolarHBondContact O-N 2.69Å; T324-S326 WeakPolarHBondContact CB-OG 3.43Å; T324-S326 PolarHBondContact O-N 2.92Å; T324-S326 PolarHBondContact O-OG 2.8Å | ||
| 325 | K | 36.2 | Very low | 34.9 | Very low | 203 Ų | 203 | 137.5 Ų | 137.5 | 88% | 0.883 | 69% | 0.687 | S | S | * | * | trans | -57.4 | 26.7 | 146.2 | -60.9 | -176 | 179.2 | -178.4 | 0 | 111.2 | D323 S327 | D323-K325 PolarHBondContact O-N 3.07Å; K325-S327 PolarHBondContact O-N 2.86Å; K325-S327 VanDerWaalsContact O-N 3.13Å | ||
| 326 | S | 36.4 | Very low | 35.4 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 48% | 0.483 | 68% | 0.68 | S | S | . | * | trans | -61.2 | 117.2 | 161.8 | 56.8 | 0 | 0 | 0 | 0 | 104.6 | T324 V328 | T324-S326 WeakPolarHBondContact CB-OG 3.43Å; T324-S326 PolarHBondContact O-N 2.92Å; T324-S326 PolarHBondContact O-OG 2.8Å; S326-V328 PolarHBondContact O-N 2.84Å | ||
| 327 | S | 33.2 | Very low | 36 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | trans | -61.9 | 62.3 | 168 | 67.3 | 0 | 0 | 0 | 0 | 109.8 | K325 R329 | K325-S327 PolarHBondContact O-N 2.86Å; K325-S327 VanDerWaalsContact O-N 3.13Å; S327-R329 PolarHBondContact O-N 2.71Å | ||
| 328 | V | 36.6 | Very low | 36.9 | Very low | 108 Ų | 108 | 134 Ų | 134 | 66% | 0.655 | 68% | 0.675 | S | S | * | * | trans | -59.4 | 94.8 | 144 | -177.7 | 0 | 0 | 0 | 0 | 101 | S326 Q330 | S326-V328 PolarHBondContact O-N 2.84Å; V328-Q330 PolarHBondContact O-N 2.86Å | ||
| 329 | R | 31.8 | Very low | 37.7 | Very low | 209 Ų | 209 | 126.4 Ų | 126.4 | 79% | 0.789 | 64% | 0.643 | S | S | * | * | trans | -50.9 | 92.3 | 155.3 | -72 | 178.5 | 169.1 | -174.8 | -4.7 | 102.4 | S327 N331 | S327-R329 PolarHBondContact O-N 2.71Å; R329-N331 PolarHBondContact O-N 3.5Å | ||
| 330 | Q | 38.6 | Very low | 38 | Very low | 148 Ų | 148 | 121.9 Ų | 121.9 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | trans | -54.7 | 95.9 | 155.4 | -75.3 | -179.2 | -21.9 | 0 | 0 | 100.2 | V328 H332 | V328-Q330 PolarHBondContact O-N 2.86Å; Q330-H332 PolarHBondContact O-CD2 2.94Å; Q330-H332 PolarHBondContact O-N 3.28Å | ||
| 331 | N | 38.3 | Very low | 38.9 | Very low | 98 Ų | 98 | 123 Ų | 123 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | trans | -57.6 | 98.5 | 165.5 | -74.3 | -19.4 | 0 | 0 | 0 | 101.2 | R329 F333 | R329-N331 PolarHBondContact O-N 3.5Å; N331-F333 VanDerWaalsContact C-N 3.32Å; N331-F333 PolarHBondContact O-N 3.35Å | ||
| 332 | H | 35.5 | Very low | 39.5 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 49% | 0.491 | 65% | 0.651 | S | S | . | * | trans | -51.9 | 109.4 | 178.9 | -75.6 | -100.6 | 0 | 0 | 0 | 103.1 | Q330 L334 E338 | Q330-H332 PolarHBondContact O-CD2 2.94Å; Q330-H332 PolarHBondContact O-N 3.28Å; H332-L334 HydrophobicContact CB-CD1 3.75Å; H332-L334 PolarHBondContact O-N 3.23Å; H332-E338 IonicContact ND1-OE2 2.63Å | ||
| 333 | F | 40.8 | Very low | 40.3 | Very low | 147 Ų | 147 | 120.6 Ų | 120.6 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | trans | -57.2 | 95.4 | 144.6 | -86.6 | -89.4 | 0 | 0 | 0 | 101.9 | N331 F335 | N331-F333 VanDerWaalsContact C-N 3.32Å; N331-F333 PolarHBondContact O-N 3.35Å; F333-F335 WeakPolarHBondContact O-CD2 3.37Å; F333-F335 PolarHBondContact O-N 3.39Å | ||
| 334 | L | 36.8 | Very low | 41 | Very low | 93 Ų | 93 | 118.2 Ų | 118.2 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | trans | -59.2 | 101.5 | 170.8 | -100.1 | 85.4 | 0 | 0 | 0 | 103.3 | H332 A339 | H332-L334 HydrophobicContact CB-CD1 3.75Å; H332-L334 PolarHBondContact O-N 3.23Å; L334-A339 HydrophobicContact CD2-CB 4.03Å | ||
| 335 | F | 39.9 | Very low | 41.7 | Very low | 135 Ų | 135 | 117.7 Ų | 117.7 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | trans | -55.9 | 138.7 | 165.3 | -70.7 | -82.6 | 0 | 0 | 0 | 105.3 | F333 E337 E338 A339 | F333-F335 WeakPolarHBondContact O-CD2 3.37Å; F333-F335 PolarHBondContact O-N 3.39Å; F335-E337 PolarHBondContact O-N 2.88Å; F335-E338 PolarHBondContact O-N 3.46Å; F335-A339 PolarHBondContact O-N 2.86Å | ||
| 336 | P | 45.6 | Very low | 42.6 | Very low | 93 Ų | 93 | 119 Ų | 119 | 60% | 0.604 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | -21.3 | 179.8 | -28 | 34.2 | 0 | 0 | 0 | 113.6 | A339 | P336-A339 PolarHBondContact O-N 2.93Š|
| 337 | E | 45.5 | Very low | 43.7 | Very low | 183 Ų | 183 | 119.4 Ų | 119.4 | 86% | 0.855 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -33.7 | 173 | -64.9 | -169 | 166.9 | 0 | 0 | 113.9 | F335 | F335-E337 PolarHBondContact O-N 2.88Š|
| 338 | E | 47.1 | Very low | 44.8 | Very low | 121 Ų | 121 | 116.6 Ų | 116.6 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -23.5 | 175.1 | -69.8 | -176.6 | 168.6 | 0 | 0 | 112.3 | H332 F335 G340 | H332-E338 IonicContact ND1-OE2 2.63Å; F335-E338 PolarHBondContact O-N 3.46Å; E338-G340 PolarHBondContact O-N 2.95Å |
| 339 | A | 45.7 | Very low | 45.7 | Very low | 19 Ų | 19 | 115 Ų | 115 | 16% | 0.157 | 59% | 0.587 | C | S | . | * | S | Bend | trans | -79.3 | 66 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L334 F335 P336 A341 F343 | L334-A339 HydrophobicContact CD2-CB 4.03Å; F335-A339 PolarHBondContact O-N 2.86Å; P336-A339 PolarHBondContact O-N 2.93Å; A339-A341 PolarHBondContact O-N 3.42Å; A339-A341 VanDerWaalsContact O-N 3.15Å; A339-F343 HydrophobicContact CB-CB 3.54Å; A339-F343 HydrophobicContact CB-CD2 4.03Å; A339-F343 HydrophobicContact CB-CG 3.86Å |
| 340 | G | 40.9 | Very low | 46.9 | Very low | 55 Ų | 55 | 110 Ų | 110 | 57% | 0.567 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.4 | 116.7 | -162.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E338 K342 | E338-G340 PolarHBondContact O-N 2.95Å; G340-K342 PolarHBondContact O-N 3.36Å |
| 341 | A | 50.9 | Low | 47.7 | Very low | 114 Ų | 114 | 108 Ų | 108 | 94% | 0.942 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 41.4 | -5.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | A339 | A339-A341 PolarHBondContact O-N 3.42Å; A339-A341 VanDerWaalsContact O-N 3.15Å |
| 342 | K | 48.3 | Very low | 48.5 | Very low | 191 Ų | 191 | 107.4 Ų | 107.4 | 83% | 0.83 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | 8.5 | -174 | -70.8 | -171.6 | 178.8 | -178 | 0 | 112.2 | G340 D344 | G340-K342 PolarHBondContact O-N 3.36Å; K342-D344 VanDerWaalsContact C-N 3.35Å; K342-D344 PolarHBondContact O-N 2.9Å |
| 343 | F | 46.3 | Very low | 49.5 | Very low | 91 Ų | 91 | 105.7 Ų | 105.7 | 40% | 0.399 | 55% | 0.554 | S | S | . | * | trans | -71.7 | 96.7 | 168.7 | -173.9 | -100.4 | 0 | 0 | 0 | 108.8 | A339 P345 I348 | A339-F343 HydrophobicContact CB-CB 3.54Å; A339-F343 HydrophobicContact CB-CD2 4.03Å; A339-F343 HydrophobicContact CB-CG 3.86Å; F343-P345 HydrophobicContact CE1-CB 4.11Å; F343-P345 VanDerWaalsContact O-CD 3.3Å; F343-P345 WeakPolarHBondContact O-CD 3.48Å; F343-I348 HydrophobicContact CE2-CD1 4.29Å; F343-I348 HydrophobicContact CZ-CB 4.27Å; F343-I348 HydrophobicContact CZ-CD1 4Å | ||
| 344 | D | 51.5 | Low | 50 | Low | 90 Ų | 90 | 102 Ų | 102 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | trans | -82.4 | 111.2 | 169 | -158.1 | -19.1 | 0 | 0 | 0 | 107 | K342 R346 S347 | K342-D344 VanDerWaalsContact C-N 3.35Å; K342-D344 PolarHBondContact O-N 2.9Å; D344-R346 PolarHBondContact O-N 3.16Å; D344-S347 PolarHBondContact O-N 3.5Å; D344-S347 PolarHBondContact O-OG 3.18Å | ||
| 345 | P | 50.5 | Low | 50.8 | Low | 91 Ų | 91 | 104.1 Ų | 104.1 | 59% | 0.591 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13 | -179 | 24.8 | -34.1 | 0 | 0 | 0 | 112.6 | F343 I348 | F343-P345 HydrophobicContact CE1-CB 4.11Å; F343-P345 VanDerWaalsContact O-CD 3.3Å; F343-P345 WeakPolarHBondContact O-CD 3.48Å; P345-I348 WeakPolarHBondContact O-CG2 3.34Å |
| 346 | R | 54.5 | Low | 51.3 | Low | 229 Ų | 229 | 103.6 Ų | 103.6 | 86% | 0.864 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -17 | 172.2 | -64.1 | 179.8 | 176.5 | -174.5 | -0.9 | 113.7 | D344 | D344-R346 PolarHBondContact O-N 3.16Š|
| 347 | S | 58.9 | Low | 51.5 | Low | 78 Ų | 78 | 100.8 Ų | 100.8 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -91.6 | -10.1 | -179.4 | 76.4 | 0 | 0 | 0 | 0 | 113.6 | D344 T349 | D344-S347 PolarHBondContact O-N 3.5Å; D344-S347 PolarHBondContact O-OG 3.18Å; S347-T349 PolarHBondContact O-N 3.45Å |
| 348 | I | 56 | Low | 52.2 | Low | 50 Ų | 50 | 95.2 Ų | 95.2 | 26% | 0.256 | 50% | 0.503 | S | S | . | . | trans | -68.4 | 122.3 | 175.9 | -159.6 | 168.2 | 0 | 0 | 0 | 108.2 | F343 P345 E352 I353 | F343-I348 HydrophobicContact CE2-CD1 4.29Å; F343-I348 HydrophobicContact CZ-CB 4.27Å; F343-I348 HydrophobicContact CZ-CD1 4Å; P345-I348 WeakPolarHBondContact O-CG2 3.34Å; I348-E352 HydrophobicContact CD1-CB 4.47Å; I348-E352 HydrophobicContact CG1-CB 3.84Å; I348-I353 HydrophobicContact CB-CG1 4.48Å; I348-I353 HydrophobicContact CD1-CG1 3.73Å; I348-I353 HydrophobicContact CG1-CG1 3.86Å; I348-I353 HydrophobicContact CG2-CD1 3.74Å; I348-I353 HydrophobicContact CG2-CG1 3.83Å | ||
| 349 | T | 56.6 | Low | 52.9 | Low | 73 Ų | 73 | 94.1 Ų | 94.1 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | trans | -74.3 | 149.8 | 175.4 | 56.7 | 0 | 0 | 0 | 0 | 109.3 | S347 E351 E352 I353 | S347-T349 PolarHBondContact O-N 3.45Å; T349-E351 PolarHBondContact O-N 2.63Å; T349-E352 PolarHBondContact N-OE2 3.13Å; T349-E352 PolarHBondContact O-N 3.07Å; T349-E352 VanDerWaalsContact OG1-CG 3.29Å; T349-E352 WeakPolarHBondContact OG1-CG 3.42Å; T349-E352 PolarHBondContact OG1-N 3.45Å; T349-E352 PolarHBondContact OG1-OE2 3.05Å; T349-I353 PolarHBondContact O-N 3.22Å; T349-I353 VanDerWaalsContact O-N 3.11Å | ||
| 350 | D | 56.8 | Low | 53.7 | Low | 104 Ų | 104 | 98.5 Ų | 98.5 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -54.5 | -37.5 | 175.2 | -68.9 | -30.8 | 0 | 0 | 0 | 110.5 | E352 I353 F354 | D350-E352 PolarHBondContact O-N 3.43Å; D350-I353 WeakPolarHBondContact O-CB 3.48Å; D350-I353 PolarHBondContact O-N 3.27Å; D350-F354 HydrophobicContact CB-CD2 4.22Å; D350-F354 HydrophobicContact CB-CE2 3.81Å; D350-F354 WeakPolarHBondContact O-CD2 3.34Å; D350-F354 VanDerWaalsContact O-CG 3.3Å; D350-F354 WeakPolarHBondContact O-CG 3.42Å; D350-F354 PolarHBondContact O-N 2.91Å |
| 351 | E | 54.6 | Low | 55.1 | Low | 106 Ų | 106 | 99.8 Ų | 99.8 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 177 | -156.3 | 68.2 | -147 | 0 | 0 | 113.2 | T349 F354 Q355 R360 | T349-E351 PolarHBondContact O-N 2.63Å; E351-F354 PolarHBondContact O-N 2.9Å; E351-Q355 WeakPolarHBondContact O-CG 3.43Å; E351-Q355 PolarHBondContact O-N 3.41Å; E351-R360 IonicContact OE1-NH1 3.07Å; E351-R360 PolarHBondContact OE1-NH1 3.26Å |
| 352 | E | 56.3 | Low | 56 | Low | 87 Ų | 87 | 97.9 Ų | 97.9 | 41% | 0.407 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 174.1 | -76 | 167.3 | 152.1 | 0 | 0 | 111 | I348 T349 D350 F354 Q355 Y356 | I348-E352 HydrophobicContact CD1-CB 4.47Å; I348-E352 HydrophobicContact CG1-CB 3.84Å; T349-E352 PolarHBondContact N-OE2 3.13Å; T349-E352 PolarHBondContact O-N 3.07Å; T349-E352 VanDerWaalsContact OG1-CG 3.29Å; T349-E352 WeakPolarHBondContact OG1-CG 3.42Å; T349-E352 PolarHBondContact OG1-N 3.45Å; T349-E352 PolarHBondContact OG1-OE2 3.05Å; D350-E352 PolarHBondContact O-N 3.43Å; E352-F354 PolarHBondContact O-N 3.27Å; E352-Q355 PolarHBondContact O-N 2.85Å; E352-Q355 VanDerWaalsContact O-N 3.15Å; E352-Y356 WeakPolarHBondContact O-CD2 3.27Å; E352-Y356 PolarHBondContact O-N 3.1Å; E352-Y356 VanDerWaalsContact O-N 3.12Å |
| 353 | I | 55.9 | Low | 57.2 | Low | 69 Ų | 69 | 89.7 Ų | 89.7 | 35% | 0.354 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -53.9 | -43.1 | 173 | -61.9 | 173.5 | 0 | 0 | 0 | 109.6 | I348 T349 D350 Y356 C357 | I348-I353 HydrophobicContact CB-CG1 4.48Å; I348-I353 HydrophobicContact CD1-CG1 3.73Å; I348-I353 HydrophobicContact CG1-CG1 3.86Å; I348-I353 HydrophobicContact CG2-CD1 3.74Å; I348-I353 HydrophobicContact CG2-CG1 3.83Å; T349-I353 PolarHBondContact O-N 3.22Å; T349-I353 VanDerWaalsContact O-N 3.11Å; D350-I353 WeakPolarHBondContact O-CB 3.48Å; D350-I353 PolarHBondContact O-N 3.27Å; I353-Y356 PolarHBondContact O-N 2.95Å; I353-C357 WeakPolarHBondContact O-CB 3.35Å; I353-C357 PolarHBondContact O-N 2.84Å |
| 354 | F | 52.6 | Low | 58.5 | Low | 70 Ų | 70 | 90.3 Ų | 90.3 | 31% | 0.307 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.1 | -36.2 | 180 | -70.1 | -55.7 | 0 | 0 | 0 | 113.8 | D350 E351 E352 Y356 C357 | D350-F354 HydrophobicContact CB-CD2 4.22Å; D350-F354 HydrophobicContact CB-CE2 3.81Å; D350-F354 WeakPolarHBondContact O-CD2 3.34Å; D350-F354 VanDerWaalsContact O-CG 3.3Å; D350-F354 WeakPolarHBondContact O-CG 3.42Å; D350-F354 PolarHBondContact O-N 2.91Å; E351-F354 PolarHBondContact O-N 2.9Å; E352-F354 PolarHBondContact O-N 3.27Å; F354-Y356 VanDerWaalsContact C-N 3.28Å; F354-Y356 PolarHBondContact O-N 2.96Å; F354-C357 PolarHBondContact O-N 3.11Å |
| 355 | Q | 53.6 | Low | 59.7 | Low | 138 Ų | 138 | 93.6 Ų | 93.6 | 65% | 0.645 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64 | -34.6 | 174 | -77.4 | -178.5 | 19.5 | 0 | 0 | 112.1 | E351 E352 | E351-Q355 WeakPolarHBondContact O-CG 3.43Å; E351-Q355 PolarHBondContact O-N 3.41Å; E352-Q355 PolarHBondContact O-N 2.85Å; E352-Q355 VanDerWaalsContact O-N 3.15Å |
| 356 | Y | 48.6 | Very low | 61 | Low | 124 Ų | 124 | 91.3 Ų | 91.3 | 49% | 0.486 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -85.5 | -6.6 | 176.4 | -70.2 | -73 | 0 | 0 | 0 | 113.6 | E352 I353 F354 P358 | E352-Y356 WeakPolarHBondContact O-CD2 3.27Å; E352-Y356 PolarHBondContact O-N 3.1Å; E352-Y356 VanDerWaalsContact O-N 3.12Å; I353-Y356 PolarHBondContact O-N 2.95Å; F354-Y356 VanDerWaalsContact C-N 3.28Å; F354-Y356 PolarHBondContact O-N 2.96Å; Y356-P358 VanDerWaalsContact O-CD 3.28Å; Y356-P358 WeakPolarHBondContact O-CD 3.45Å |
| 357 | C | 51.1 | Low | 62.2 | Low | 34 Ų | 34 | 84.5 Ų | 84.5 | 23% | 0.23 | 42% | 0.419 | C | S | . | . | trans | -85.6 | 115.9 | -174.9 | -157.1 | 0 | 0 | 0 | 0 | 111.4 | I353 F354 L359 R360 | I353-C357 WeakPolarHBondContact O-CB 3.35Å; I353-C357 PolarHBondContact O-N 2.84Å; F354-C357 PolarHBondContact O-N 3.11Å; C357-L359 PolarHBondContact O-N 2.63Å; C357-L359 VanDerWaalsContact SG-CD1 3.56Å; C357-L359 VanDerWaalsContact SG-CG 3.51Å; C357-R360 PolarHBondContact O-N 2.81Å | ||
| 358 | P | 58.8 | Low | 63.3 | Low | 66 Ų | 66 | 85.9 Ų | 85.9 | 43% | 0.429 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.3 | -14.8 | 175.1 | -20.3 | 32.4 | 0 | 0 | 0 | 113.4 | Y356 N362 | Y356-P358 VanDerWaalsContact O-CD 3.28Å; Y356-P358 WeakPolarHBondContact O-CD 3.45Å; P358-N362 WeakPolarHBondContact O-CB 3.49Å; P358-N362 PolarHBondContact O-N 3.48Å; P358-N362 PolarHBondContact O-ND2 3.02Å; P358-N362 VanDerWaalsContact O-ND2 3.07Å |
| 359 | L | 62.7 | Low | 64.5 | Low | 97 Ų | 97 | 87.2 Ų | 87.2 | 51% | 0.508 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 179.8 | -63 | 177 | 0 | 0 | 0 | 112.3 | C357 N362 V363 Y445 | C357-L359 PolarHBondContact O-N 2.63Å; C357-L359 VanDerWaalsContact SG-CD1 3.56Å; C357-L359 VanDerWaalsContact SG-CG 3.51Å; L359-N362 PolarHBondContact O-N 3.27Å; L359-V363 VanDerWaalsContact O-CG2 3.25Å; L359-V363 WeakPolarHBondContact O-CG2 3.42Å; L359-V363 PolarHBondContact O-N 2.81Å; L359-Y445 HydrophobicContact CB-CE2 3.93Å |
| 360 | R | 63.4 | Low | 65.8 | Low | 111 Ų | 111 | 86.1 Ų | 86.1 | 42% | 0.419 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | -179.5 | -171.6 | 176.1 | 179.1 | 157.2 | -0.5 | 111.4 | E351 C357 N362 V363 Q364 | E351-R360 IonicContact OE1-NH1 3.07Å; E351-R360 PolarHBondContact OE1-NH1 3.26Å; C357-R360 PolarHBondContact O-N 2.81Å; R360-N362 VanDerWaalsContact C-N 3.34Å; R360-V363 PolarHBondContact O-N 3.13Å; R360-Q364 PolarHBondContact O-N 3.35Å |
| 361 | D | 69 | Low | 67 | Low | 82 Ų | 82 | 84.4 Ų | 84.4 | 44% | 0.439 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 174.9 | -73 | -9.4 | 0 | 0 | 0 | 111.5 | V363 Q364 R365 | D361-V363 VanDerWaalsContact C-N 3.33Å; D361-V363 PolarHBondContact O-N 3.01Å; D361-Q364 PolarHBondContact O-N 3.38Å; D361-R365 VanDerWaalsContact O-CG 3.28Å; D361-R365 WeakPolarHBondContact O-CG 2.86Å; D361-R365 PolarHBondContact O-N 2.93Å |
| 362 | N | 69.6 | Low | 68.4 | Low | 75 Ų | 75 | 86 Ų | 86 | 40% | 0.401 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 176.9 | -72.8 | -30.3 | 0 | 0 | 0 | 112 | P358 L359 R360 R365 L366 | P358-N362 WeakPolarHBondContact O-CB 3.49Å; P358-N362 PolarHBondContact O-N 3.48Å; P358-N362 PolarHBondContact O-ND2 3.02Å; P358-N362 VanDerWaalsContact O-ND2 3.07Å; L359-N362 PolarHBondContact O-N 3.27Å; R360-N362 VanDerWaalsContact C-N 3.34Å; N362-R365 WeakPolarHBondContact O-CB 3.37Å; N362-R365 PolarHBondContact O-N 3.48Å; N362-L366 VanDerWaalsContact O-CG 3.31Å; N362-L366 WeakPolarHBondContact O-CG 3.28Å; N362-L366 PolarHBondContact O-N 2.95Å |
| 363 | V | 73.3 | Confident | 69.8 | Low | 19 Ų | 19 | 82.5 Ų | 82.5 | 12% | 0.115 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.2 | -42.3 | 176.8 | 168 | 0 | 0 | 0 | 0 | 111.6 | L359 R360 D361 R365 L366 L367 L442 Y445 | L359-V363 VanDerWaalsContact O-CG2 3.25Å; L359-V363 WeakPolarHBondContact O-CG2 3.42Å; L359-V363 PolarHBondContact O-N 2.81Å; R360-V363 PolarHBondContact O-N 3.13Å; D361-V363 VanDerWaalsContact C-N 3.33Å; D361-V363 PolarHBondContact O-N 3.01Å; V363-R365 VanDerWaalsContact C-N 3.27Å; V363-R365 PolarHBondContact O-N 3.12Å; V363-L366 PolarHBondContact O-N 3.04Å; V363-L366 VanDerWaalsContact O-N 3.16Å; V363-L367 HydrophobicContact CG1-CD1 4.34Å; V363-L367 WeakPolarHBondContact O-CG 3.42Å; V363-L367 PolarHBondContact O-N 3.27Å; V363-L442 HydrophobicContact CG1-CD2 3.82Å; V363-Y445 HydrophobicContact CB-CD1 4.25Å; V363-Y445 HydrophobicContact CB-CE1 4.03Å; V363-Y445 HydrophobicContact CG1-CD1 3.93Å; V363-Y445 HydrophobicContact CG1-CE1 3.8Å; V363-Y445 HydrophobicContact CG2-CD1 3.46Å; V363-Y445 VanDerWaalsContact CG2-CD1 3.46Å; V363-Y445 HydrophobicContact CG2-CD2 3.59Å; V363-Y445 HydrophobicContact CG2-CE1 3.56Å; V363-Y445 HydrophobicContact CG2-CE2 3.71Å; V363-Y445 HydrophobicContact CG2-CG 3.45Å; V363-Y445 VanDerWaalsContact CG2-CG 3.45Å |
| 364 | Q | 74.8 | Confident | 71.1 | Confident | 104 Ų | 104 | 83.5 Ų | 83.5 | 49% | 0.486 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.6 | -40.2 | 171.9 | -72 | -177.9 | -2.5 | 0 | 0 | 111.6 | R360 D361 L367 L368 | R360-Q364 PolarHBondContact O-N 3.35Å; D361-Q364 PolarHBondContact O-N 3.38Å; Q364-L367 PolarHBondContact O-N 2.97Å; Q364-L368 WeakPolarHBondContact O-CG 3.41Å; Q364-L368 PolarHBondContact O-N 3.26Å |
| 365 | R | 76.2 | Confident | 72.6 | Confident | 158 Ų | 158 | 86.3 Ų | 86.3 | 60% | 0.596 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.1 | -40.9 | 174 | -71.7 | 170.9 | 178.4 | -171.8 | 0.3 | 112.3 | D361 N362 V363 L368 I369 | D361-R365 VanDerWaalsContact O-CG 3.28Å; D361-R365 WeakPolarHBondContact O-CG 2.86Å; D361-R365 PolarHBondContact O-N 2.93Å; N362-R365 WeakPolarHBondContact O-CB 3.37Å; N362-R365 PolarHBondContact O-N 3.48Å; V363-R365 VanDerWaalsContact C-N 3.27Å; V363-R365 PolarHBondContact O-N 3.12Å; R365-L368 PolarHBondContact O-N 3.48Å; R365-I369 VanDerWaalsContact O-CG1 3.28Å; R365-I369 WeakPolarHBondContact O-CG1 3.4Å; R365-I369 PolarHBondContact O-N 3.16Å |
| 366 | L | 77.9 | Confident | 74 | Confident | 44 Ų | 44 | 86.5 Ų | 86.5 | 23% | 0.23 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.7 | -71.5 | 171.3 | 0 | 0 | 0 | 111.3 | N362 V363 L368 I369 Q370 L438 L441 L442 | N362-L366 VanDerWaalsContact O-CG 3.31Å; N362-L366 WeakPolarHBondContact O-CG 3.28Å; N362-L366 PolarHBondContact O-N 2.95Å; V363-L366 PolarHBondContact O-N 3.04Å; V363-L366 VanDerWaalsContact O-N 3.16Å; L366-L368 VanDerWaalsContact C-N 3.34Å; L366-L368 PolarHBondContact O-N 2.87Å; L366-I369 WeakPolarHBondContact O-CB 3.42Å; L366-I369 PolarHBondContact O-N 3.28Å; L366-I369 VanDerWaalsContact O-N 3.12Å; L366-Q370 PolarHBondContact O-N 2.96Å; L366-L438 HydrophobicContact CB-CD1 4.04Å; L366-L438 HydrophobicContact CB-CG 4.33Å; L366-L438 HydrophobicContact CD2-CD1 3.53Å; L366-L438 HydrophobicContact CD2-CG 4.28Å; L366-L438 HydrophobicContact CG-CD1 4.37Å; L366-L441 HydrophobicContact CD1-CB 4.47Å; L366-L442 HydrophobicContact CB-CD2 4.15Å |
| 367 | L | 80.4 | Confident | 75.7 | Confident | 86 Ų | 86 | 83.2 Ų | 83.2 | 45% | 0.45 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 174.7 | -71.1 | 170.2 | 0 | 0 | 0 | 112.2 | V363 Q364 I369 Q370 D371 L442 | V363-L367 HydrophobicContact CG1-CD1 4.34Å; V363-L367 WeakPolarHBondContact O-CG 3.42Å; V363-L367 PolarHBondContact O-N 3.27Å; Q364-L367 PolarHBondContact O-N 2.97Å; L367-I369 VanDerWaalsContact C-N 3.32Å; L367-I369 PolarHBondContact O-N 3.08Å; L367-Q370 VanDerWaalsContact O-CB 3.28Å; L367-Q370 WeakPolarHBondContact O-CB 3.45Å; L367-Q370 PolarHBondContact O-N 3.08Å; L367-D371 PolarHBondContact O-N 3.16Å; L367-D371 VanDerWaalsContact O-N 3.08Å; L367-L442 HydrophobicContact CD2-CD1 3.83Å; L367-L442 HydrophobicContact CD2-CD2 4.3Å; L367-L442 HydrophobicContact CG-CD2 4.28Å |
| 368 | L | 80.7 | Confident | 77.2 | Confident | 107 Ų | 107 | 85.4 Ų | 85.4 | 56% | 0.56 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.4 | -35.4 | 173.6 | -72.2 | 170 | 0 | 0 | 0 | 112.5 | Q364 R365 L366 R372 | Q364-L368 WeakPolarHBondContact O-CG 3.41Å; Q364-L368 PolarHBondContact O-N 3.26Å; R365-L368 PolarHBondContact O-N 3.48Å; L366-L368 VanDerWaalsContact C-N 3.34Å; L366-L368 PolarHBondContact O-N 2.87Å; L368-R372 VanDerWaalsContact O-CG 3.31Å; L368-R372 WeakPolarHBondContact O-CG 3.37Å; L368-R372 PolarHBondContact O-N 3.22Å; L368-R372 VanDerWaalsContact O-N 3.16Å |
| 369 | I | 80.9 | Confident | 78.4 | Confident | 78 Ų | 78 | 86.1 Ų | 86.1 | 40% | 0.4 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 174.1 | -69.5 | 163.6 | 0 | 0 | 0 | 110 | R365 L366 L367 R372 I373 L438 | R365-I369 VanDerWaalsContact O-CG1 3.28Å; R365-I369 WeakPolarHBondContact O-CG1 3.4Å; R365-I369 PolarHBondContact O-N 3.16Å; L366-I369 WeakPolarHBondContact O-CB 3.42Å; L366-I369 PolarHBondContact O-N 3.28Å; L366-I369 VanDerWaalsContact O-N 3.12Å; L367-I369 VanDerWaalsContact C-N 3.32Å; L367-I369 PolarHBondContact O-N 3.08Å; I369-R372 PolarHBondContact O-N 3.1Å; I369-I373 HydrophobicContact CG2-CD1 3.75Å; I369-I373 HydrophobicContact CG2-CG1 4.37Å; I369-I373 WeakPolarHBondContact O-CG1 3.46Å; I369-I373 PolarHBondContact O-N 2.84Å; I369-L438 HydrophobicContact CB-CD1 4.21Å; I369-L438 HydrophobicContact CG2-CD1 3.95Å |
| 370 | Q | 84.1 | Confident | 79.4 | Confident | 49 Ų | 49 | 82.6 Ų | 82.6 | 23% | 0.229 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -55.1 | -55.1 | 175.6 | -161.3 | -177 | -36.1 | 0 | 0 | 111.6 | L366 L367 R372 I373 E374 M435 L438 | L366-Q370 PolarHBondContact O-N 2.96Å; L367-Q370 VanDerWaalsContact O-CB 3.28Å; L367-Q370 WeakPolarHBondContact O-CB 3.45Å; L367-Q370 PolarHBondContact O-N 3.08Å; Q370-R372 VanDerWaalsContact C-N 3.26Å; Q370-R372 PolarHBondContact O-N 3.01Å; Q370-I373 PolarHBondContact O-N 2.73Å; Q370-E374 PolarHBondContact NE2-OE1 2.74Å; Q370-E374 VanDerWaalsContact NE2-OE1 3.1Å; Q370-E374 PolarHBondContact O-N 2.97Å; Q370-M435 HydrophobicContact CB-SD 4.49Å; Q370-M435 HydrophobicContact CG-CE 3.37Å; Q370-M435 HydrophobicContact CG-SD 3.63Å; Q370-L438 HydrophobicContact CB-CD2 3.48Å; Q370-L438 VanDerWaalsContact CB-CD2 3.48Å; Q370-L438 HydrophobicContact CG-CD2 3.74Å |
| 371 | D | 82.6 | Confident | 80.3 | Confident | 69 Ų | 69 | 80.8 Ų | 80.8 | 37% | 0.369 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.9 | -35.7 | 179.9 | 170 | 80.1 | 0 | 0 | 0 | 112.2 | L367 R375 | L367-D371 PolarHBondContact O-N 3.16Å; L367-D371 VanDerWaalsContact O-N 3.08Å; D371-R375 WeakPolarHBondContact O-CG 3.28Å; D371-R375 PolarHBondContact O-N 3.28Å; D371-R375 VanDerWaalsContact O-N 3.13Å; D371-R375 PolarHBondContact O-NE 3.22Å; D371-R375 IonicContact OD2-CZ 2.8Å; D371-R375 IonicContact OD2-NE 3.11Å; D371-R375 PolarHBondContact OD2-NE 3.39Å; D371-R375 IonicContact OD2-NH2 2.71Å; D371-R375 PolarHBondContact OD2-NH2 3.15Å |
| 372 | R | 84.8 | Confident | 81.1 | Confident | 140 Ų | 140 | 82.6 Ų | 82.6 | 53% | 0.528 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 173.3 | -74.8 | 175.9 | 179.8 | -162.4 | -1.9 | 112.3 | L368 I369 Q370 E374 R375 Y376 | L368-R372 VanDerWaalsContact O-CG 3.31Å; L368-R372 WeakPolarHBondContact O-CG 3.37Å; L368-R372 PolarHBondContact O-N 3.22Å; L368-R372 VanDerWaalsContact O-N 3.16Å; I369-R372 PolarHBondContact O-N 3.1Å; Q370-R372 VanDerWaalsContact C-N 3.26Å; Q370-R372 PolarHBondContact O-N 3.01Å; R372-E374 VanDerWaalsContact C-N 3.35Å; R372-R375 PolarHBondContact O-N 2.65Å; R372-Y376 HydrophobicContact CB-CE2 4.27Å; R372-Y376 WeakPolarHBondContact O-CD2 3.47Å; R372-Y376 PolarHBondContact O-N 2.78Å |
| 373 | I | 84 | Confident | 81.7 | Confident | 13 Ų | 13 | 82.7 Ų | 82.7 | 7% | 0.067 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 178.4 | -68.9 | 163.7 | 0 | 0 | 0 | 110.7 | I369 Q370 R375 Y376 S377 L431 I434 M435 | I369-I373 HydrophobicContact CG2-CD1 3.75Å; I369-I373 HydrophobicContact CG2-CG1 4.37Å; I369-I373 WeakPolarHBondContact O-CG1 3.46Å; I369-I373 PolarHBondContact O-N 2.84Å; Q370-I373 PolarHBondContact O-N 2.73Å; I373-R375 VanDerWaalsContact C-N 3.33Å; I373-R375 PolarHBondContact O-N 2.88Å; I373-Y376 PolarHBondContact O-N 3.22Å; I373-S377 PolarHBondContact O-N 3.15Å; I373-L431 HydrophobicContact CG1-CD2 4.43Å; I373-L431 HydrophobicContact CG2-CB 3.95Å; I373-L431 HydrophobicContact CG2-CD2 3.92Å; I373-L431 HydrophobicContact CG2-CG 4.41Å; I373-I434 HydrophobicContact CD1-CB 4.22Å; I373-I434 HydrophobicContact CD1-CG2 3.47Å; I373-I434 VanDerWaalsContact CD1-CG2 3.47Å; I373-M435 HydrophobicContact CB-CG 4.24Å; I373-M435 HydrophobicContact CB-SD 3.76Å; I373-M435 HydrophobicContact CD1-CG 4.49Å; I373-M435 HydrophobicContact CD1-SD 4.12Å; I373-M435 HydrophobicContact CG2-CG 3.4Å; I373-M435 VanDerWaalsContact CG2-CG 3.4Å; I373-M435 HydrophobicContact CG2-SD 3.6Å; I373-M435 VanDerWaalsContact CG2-SD 3.6Å |
| 374 | E | 84.5 | Confident | 82.3 | Confident | 90 Ų | 90 | 83.4 Ų | 83.4 | 42% | 0.421 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 176 | -71.9 | 175.9 | -166.5 | 0 | 0 | 111.3 | Q370 R372 Y376 S377 T378 M435 | Q370-E374 PolarHBondContact NE2-OE1 2.74Å; Q370-E374 VanDerWaalsContact NE2-OE1 3.1Å; Q370-E374 PolarHBondContact O-N 2.97Å; R372-E374 VanDerWaalsContact C-N 3.35Å; E374-Y376 PolarHBondContact O-N 3.5Å; E374-S377 WeakPolarHBondContact O-CB 3.23Å; E374-S377 PolarHBondContact O-N 2.83Å; E374-S377 VanDerWaalsContact O-N 3.16Å; E374-T378 PolarHBondContact O-N 2.99Å; E374-M435 HydrophobicContact CG-CE 4.04Å; E374-M435 HydrophobicContact CG-SD 4.5Å |
| 375 | R | 83.1 | Confident | 82.9 | Confident | 129 Ų | 129 | 79.7 Ų | 79.7 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 173.9 | -72.9 | -174 | -79.2 | 175.7 | -6 | 113.3 | D371 R372 I373 S377 T378 N379 | D371-R375 WeakPolarHBondContact O-CG 3.28Å; D371-R375 PolarHBondContact O-N 3.28Å; D371-R375 VanDerWaalsContact O-N 3.13Å; D371-R375 PolarHBondContact O-NE 3.22Å; D371-R375 IonicContact OD2-CZ 2.8Å; D371-R375 IonicContact OD2-NE 3.11Å; D371-R375 PolarHBondContact OD2-NE 3.39Å; D371-R375 IonicContact OD2-NH2 2.71Å; D371-R375 PolarHBondContact OD2-NH2 3.15Å; R372-R375 PolarHBondContact O-N 2.65Å; I373-R375 VanDerWaalsContact C-N 3.33Å; I373-R375 PolarHBondContact O-N 2.88Å; R375-S377 VanDerWaalsContact C-N 3.31Å; R375-S377 PolarHBondContact O-N 2.67Å; R375-T378 PolarHBondContact O-OG1 2.91Å; R375-N379 WeakPolarHBondContact O-CB 3.45Å; R375-N379 PolarHBondContact O-N 3.44Å; R375-N379 PolarHBondContact O-ND2 2.85Å; R375-N379 PolarHBondContact O-OD1 3.16Å |
| 376 | Y | 82.9 | Confident | 83.4 | Confident | 141 Ų | 141 | 75.8 Ų | 75.8 | 55% | 0.553 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66 | -35.7 | 174.8 | -69.1 | -47.3 | 0 | 0 | 0 | 112.2 | R372 I373 E374 N379 L380 | R372-Y376 HydrophobicContact CB-CE2 4.27Å; R372-Y376 WeakPolarHBondContact O-CD2 3.47Å; R372-Y376 PolarHBondContact O-N 2.78Å; I373-Y376 PolarHBondContact O-N 3.22Å; E374-Y376 PolarHBondContact O-N 3.5Å; Y376-N379 PolarHBondContact O-N 3.44Å; Y376-L380 WeakPolarHBondContact O-CB 3.48Å; Y376-L380 PolarHBondContact O-N 2.89Å |
| 377 | S | 84.4 | Confident | 83.8 | Confident | 55 Ų | 55 | 76.5 Ų | 76.5 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 176.5 | -171.8 | 0 | 0 | 0 | 0 | 112 | I373 E374 R375 L380 S381 | I373-S377 PolarHBondContact O-N 3.15Å; E374-S377 WeakPolarHBondContact O-CB 3.23Å; E374-S377 PolarHBondContact O-N 2.83Å; E374-S377 VanDerWaalsContact O-N 3.16Å; R375-S377 VanDerWaalsContact C-N 3.31Å; R375-S377 PolarHBondContact O-N 2.67Å; S377-L380 PolarHBondContact O-N 3.32Å; S377-S381 PolarHBondContact O-N 3.01Å |
| 378 | T | 83.5 | Confident | 84.1 | Confident | 81 Ų | 81 | 74 Ų | 74 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 176.4 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | E374 R375 L380 S381 E382 | E374-T378 PolarHBondContact O-N 2.99Å; R375-T378 PolarHBondContact O-OG1 2.91Å; T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L380 PolarHBondContact O-N 3.44Å; T378-S381 PolarHBondContact O-N 3.38Å; T378-S381 PolarHBondContact O-OG 3.4Å; T378-E382 PolarHBondContact O-N 2.9Å; T378-E382 VanDerWaalsContact O-N 3.07Å |
| 379 | N | 84.3 | Confident | 84.5 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 177.2 | -68.2 | -12.9 | 0 | 0 | 0 | 111.4 | R375 Y376 E382 V383 | R375-N379 WeakPolarHBondContact O-CB 3.45Å; R375-N379 PolarHBondContact O-N 3.44Å; R375-N379 PolarHBondContact O-ND2 2.85Å; R375-N379 PolarHBondContact O-OD1 3.16Å; Y376-N379 PolarHBondContact O-N 3.44Å; N379-E382 PolarHBondContact O-N 2.67Å; N379-V383 WeakPolarHBondContact O-CB 3.48Å; N379-V383 VanDerWaalsContact O-CG2 3.23Å; N379-V383 WeakPolarHBondContact O-CG2 3.34Å; N379-V383 PolarHBondContact O-N 3.11Å |
| 380 | L | 82.2 | Confident | 84.6 | Confident | 23 Ų | 23 | 78.4 Ų | 78.4 | 12% | 0.12 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.6 | -42 | 177.9 | -177.2 | 148.4 | 0 | 0 | 0 | 112 | Y376 S377 T378 V383 L384 C424 L427 A428 | Y376-L380 WeakPolarHBondContact O-CB 3.48Å; Y376-L380 PolarHBondContact O-N 2.89Å; S377-L380 PolarHBondContact O-N 3.32Å; T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L380 PolarHBondContact O-N 3.44Å; L380-V383 PolarHBondContact O-N 2.82Å; L380-L384 HydrophobicContact CD2-CD1 3.97Å; L380-L384 WeakPolarHBondContact O-CB 3.48Å; L380-L384 PolarHBondContact O-N 3.4Å; L380-C424 HydrophobicContact CD1-CB 4.37Å; L380-C424 HydrophobicContact CD2-CB 3.89Å; L380-C424 HydrophobicContact CG-CB 4.16Å; L380-L427 HydrophobicContact CD1-CB 3.79Å; L380-L427 HydrophobicContact CD1-CD2 3.53Å; L380-L427 HydrophobicContact CD1-CG 3.6Å; L380-A428 HydrophobicContact CD2-CB 4.25Å |
| 381 | S | 83.6 | Confident | 84.7 | Confident | 73 Ų | 73 | 77.7 Ų | 77.7 | 51% | 0.51 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 176.2 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | S377 T378 L384 G385 | S377-S381 PolarHBondContact O-N 3.01Å; T378-S381 PolarHBondContact O-N 3.38Å; T378-S381 PolarHBondContact O-OG 3.4Å; S381-L384 PolarHBondContact O-N 2.69Å; S381-G385 PolarHBondContact O-N 3.32Å |
| 382 | E | 85.4 | Confident | 84.8 | Confident | 119 Ų | 119 | 80 Ų | 80 | 56% | 0.556 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64 | -47.4 | 174.2 | -171.5 | -176.5 | 171.1 | 0 | 0 | 112 | T378 N379 L384 G385 N386 | T378-E382 PolarHBondContact O-N 2.9Å; T378-E382 VanDerWaalsContact O-N 3.07Å; N379-E382 PolarHBondContact O-N 2.67Å; E382-L384 VanDerWaalsContact C-N 3.33Å; E382-L384 PolarHBondContact O-N 2.81Å; E382-G385 PolarHBondContact O-N 3.45Å; E382-G385 VanDerWaalsContact O-N 3.13Å; E382-N386 PolarHBondContact O-N 2.68Å; E382-N386 PolarHBondContact O-ND2 3.07Å |
| 383 | V | 82.7 | Confident | 84.9 | Confident | 77 Ų | 77 | 76 Ų | 76 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 177.2 | 169 | 0 | 0 | 0 | 0 | 110.8 | N379 L380 G385 N386 I387 | N379-V383 WeakPolarHBondContact O-CB 3.48Å; N379-V383 VanDerWaalsContact O-CG2 3.23Å; N379-V383 WeakPolarHBondContact O-CG2 3.34Å; N379-V383 PolarHBondContact O-N 3.11Å; L380-V383 PolarHBondContact O-N 2.82Å; V383-G385 VanDerWaalsContact C-N 3.34Å; V383-G385 PolarHBondContact O-N 3.48Å; V383-N386 PolarHBondContact O-N 3.38Å; V383-I387 HydrophobicContact CG1-CD1 3.77Å; V383-I387 HydrophobicContact CG1-CG1 4.42Å; V383-I387 VanDerWaalsContact O-CG1 3.28Å; V383-I387 WeakPolarHBondContact O-CG1 3.31Å; V383-I387 PolarHBondContact O-N 3.28Å |
| 384 | L | 85.6 | Confident | 84.8 | Confident | 34 Ų | 34 | 77.3 Ų | 77.3 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 174 | -83.5 | -180 | 0 | 0 | 0 | 112.5 | L380 S381 E382 N386 I387 T388 V421 C424 | L380-L384 HydrophobicContact CD2-CD1 3.97Å; L380-L384 WeakPolarHBondContact O-CB 3.48Å; L380-L384 PolarHBondContact O-N 3.4Å; S381-L384 PolarHBondContact O-N 2.69Å; E382-L384 VanDerWaalsContact C-N 3.33Å; E382-L384 PolarHBondContact O-N 2.81Å; L384-N386 VanDerWaalsContact C-N 3.34Å; L384-N386 PolarHBondContact O-N 2.77Å; L384-I387 PolarHBondContact O-N 3.49Å; L384-T388 WeakPolarHBondContact O-CB 3.43Å; L384-T388 PolarHBondContact O-N 2.73Å; L384-T388 PolarHBondContact O-OG1 2.83Å; L384-V421 HydrophobicContact CD2-CG2 4.27Å; L384-C424 HydrophobicContact CD1-CB 3.48Å; L384-C424 VanDerWaalsContact CD1-CB 3.48Å; L384-C424 HydrophobicContact CD2-CB 3.6Å; L384-C424 VanDerWaalsContact CD2-SG 3.5Å; L384-C424 HydrophobicContact CG-CB 3.62Å |
| 385 | G | 87 | Confident | 84.5 | Confident | 27 Ų | 27 | 75.7 Ų | 75.7 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S381 E382 V383 T388 R389 | S381-G385 PolarHBondContact O-N 3.32Å; E382-G385 PolarHBondContact O-N 3.45Å; E382-G385 VanDerWaalsContact O-N 3.13Å; V383-G385 VanDerWaalsContact C-N 3.34Å; V383-G385 PolarHBondContact O-N 3.48Å; G385-T388 PolarHBondContact O-N 3.37Å; G385-R389 WeakPolarHBondContact O-CG 3.44Å; G385-R389 PolarHBondContact O-N 3.34Å |
| 386 | N | 87.7 | Confident | 84.5 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 41% | 0.406 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 178.2 | -70.7 | -24.4 | 0 | 0 | 0 | 112.3 | E382 V383 L384 T388 R389 L390 | E382-N386 PolarHBondContact O-N 2.68Å; E382-N386 PolarHBondContact O-ND2 3.07Å; V383-N386 PolarHBondContact O-N 3.38Å; L384-N386 VanDerWaalsContact C-N 3.34Å; L384-N386 PolarHBondContact O-N 2.77Å; N386-T388 VanDerWaalsContact C-N 3.3Å; N386-T388 PolarHBondContact O-N 3.45Å; N386-R389 PolarHBondContact O-N 3.27Å; N386-L390 WeakPolarHBondContact O-CB 3.27Å; N386-L390 PolarHBondContact O-N 3.33Å |
| 387 | I | 84.8 | Confident | 84.3 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 30% | 0.297 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 174.7 | -69.7 | 168.7 | 0 | 0 | 0 | 110.6 | V383 L384 L390 K391 Y417 | V383-I387 HydrophobicContact CG1-CD1 3.77Å; V383-I387 HydrophobicContact CG1-CG1 4.42Å; V383-I387 VanDerWaalsContact O-CG1 3.28Å; V383-I387 WeakPolarHBondContact O-CG1 3.31Å; V383-I387 PolarHBondContact O-N 3.28Å; L384-I387 PolarHBondContact O-N 3.49Å; I387-L390 PolarHBondContact O-N 3.05Å; I387-K391 WeakPolarHBondContact O-CB 3.33Å; I387-K391 PolarHBondContact O-N 2.72Å; I387-Y417 HydrophobicContact CG2-CD2 3.67Å; I387-Y417 HydrophobicContact CG2-CE2 3.93Å |
| 388 | T | 87.8 | Confident | 83.9 | Confident | 33 Ų | 33 | 70.3 Ų | 70.3 | 20% | 0.202 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 178.8 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | L384 G385 N386 L390 K391 E392 Y417 | L384-T388 WeakPolarHBondContact O-CB 3.43Å; L384-T388 PolarHBondContact O-N 2.73Å; L384-T388 PolarHBondContact O-OG1 2.83Å; G385-T388 PolarHBondContact O-N 3.37Å; N386-T388 VanDerWaalsContact C-N 3.3Å; N386-T388 PolarHBondContact O-N 3.45Å; T388-L390 VanDerWaalsContact C-N 3.33Å; T388-L390 PolarHBondContact O-N 2.96Å; T388-K391 WeakPolarHBondContact O-CB 3.44Å; T388-K391 PolarHBondContact O-N 3.27Å; T388-E392 WeakPolarHBondContact O-CG 3.38Å; T388-E392 PolarHBondContact O-N 3.47Å; T388-Y417 HydrophobicContact CG2-CE2 4.4Å; T388-Y417 WeakPolarHBondContact CG2-OH 3.34Å; T388-Y417 WeakPolarHBondContact OG1-CE2 3.45Å; T388-Y417 PolarHBondContact OG1-OH 3.18Å |
| 389 | R | 88.6 | Confident | 83.3 | Confident | 175 Ų | 175 | 70.8 Ų | 70.8 | 66% | 0.66 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.8 | -41.7 | 174.8 | -71.1 | 174.4 | -173.9 | 169.5 | 1.7 | 112.1 | G385 N386 E392 S393 | G385-R389 WeakPolarHBondContact O-CG 3.44Å; G385-R389 PolarHBondContact O-N 3.34Å; N386-R389 PolarHBondContact O-N 3.27Å; R389-E392 PolarHBondContact O-N 2.9Å; R389-S393 WeakPolarHBondContact O-CB 3.47Å; R389-S393 PolarHBondContact O-N 3.27Å; R389-S393 PolarHBondContact O-OG 3.43Å |
| 390 | L | 83.9 | Confident | 82.8 | Confident | 104 Ų | 104 | 75.5 Ų | 75.5 | 55% | 0.545 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 176.8 | -179.7 | 61.9 | 0 | 0 | 0 | 110.8 | N386 I387 T388 E392 S393 I394 | N386-L390 WeakPolarHBondContact O-CB 3.27Å; N386-L390 PolarHBondContact O-N 3.33Å; I387-L390 PolarHBondContact O-N 3.05Å; T388-L390 VanDerWaalsContact C-N 3.33Å; T388-L390 PolarHBondContact O-N 2.96Å; L390-E392 PolarHBondContact O-N 3.29Å; L390-S393 WeakPolarHBondContact CA-OG 3.42Å; L390-S393 PolarHBondContact O-N 2.75Å; L390-S393 PolarHBondContact O-OG 3.18Å; L390-I394 HydrophobicContact CD1-CD1 4.04Å; L390-I394 HydrophobicContact CD1-CG1 4.37Å; L390-I394 HydrophobicContact CG-CD1 3.94Å; L390-I394 VanDerWaalsContact O-CG1 3.3Å; L390-I394 WeakPolarHBondContact O-CG1 3.38Å; L390-I394 PolarHBondContact O-N 2.88Å |
| 391 | K | 85.4 | Confident | 82.4 | Confident | 33 Ų | 33 | 82.2 Ų | 82.2 | 14% | 0.143 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -55.5 | -50.9 | 174.3 | 170.4 | -167.3 | 170.5 | 179.3 | 0 | 111.6 | I387 T388 S393 I394 L395 E414 Y417 | I387-K391 WeakPolarHBondContact O-CB 3.33Å; I387-K391 PolarHBondContact O-N 2.72Å; T388-K391 WeakPolarHBondContact O-CB 3.44Å; T388-K391 PolarHBondContact O-N 3.27Å; K391-S393 VanDerWaalsContact C-N 3.32Å; K391-S393 PolarHBondContact O-N 3.05Å; K391-I394 PolarHBondContact O-N 3.01Å; K391-L395 HydrophobicContact CD-CD1 4.46Å; K391-L395 HydrophobicContact CG-CD1 3.83Å; K391-L395 HydrophobicContact CG-CG 4.4Å; K391-L395 WeakPolarHBondContact O-CB 3.08Å; K391-L395 WeakPolarHBondContact O-CG 3.35Å; K391-L395 PolarHBondContact O-N 3Å; K391-E414 WeakPolarHBondContact CE-OE2 3.31Å; K391-E414 IonicContact NZ-OE1 3.4Å; K391-E414 PolarHBondContact NZ-OE1 3.41Å; K391-E414 IonicContact NZ-OE2 3.37Å; K391-E414 PolarHBondContact NZ-OE2 2.97Å; K391-Y417 HydrophobicContact CB-CD2 4.31Å; K391-Y417 HydrophobicContact CD-CD1 3.76Å; K391-Y417 HydrophobicContact CD-CD2 3.64Å; K391-Y417 HydrophobicContact CD-CE1 4.08Å; K391-Y417 HydrophobicContact CD-CE2 3.99Å; K391-Y417 HydrophobicContact CD-CG 3.53Å; K391-Y417 VanDerWaalsContact NZ-CD1 3.32Å |
| 392 | E | 85.5 | Confident | 81.7 | Confident | 117 Ų | 117 | 80.4 Ų | 80.4 | 55% | 0.547 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 179.6 | -72.8 | 172.4 | -179.7 | 0 | 0 | 111.8 | T388 R389 L390 I394 L395 S396 | T388-E392 WeakPolarHBondContact O-CG 3.38Å; T388-E392 PolarHBondContact O-N 3.47Å; R389-E392 PolarHBondContact O-N 2.9Å; L390-E392 PolarHBondContact O-N 3.29Å; E392-I394 VanDerWaalsContact C-N 3.33Å; E392-I394 PolarHBondContact O-N 3Å; E392-L395 PolarHBondContact O-N 2.91Å; E392-S396 VanDerWaalsContact O-CB 3.25Å; E392-S396 WeakPolarHBondContact O-CB 3.34Å; E392-S396 PolarHBondContact O-N 3.37Å; E392-S396 PolarHBondContact O-OG 2.8Å |
| 393 | S | 85.2 | Confident | 80.8 | Confident | 56 Ų | 56 | 79.9 Ų | 79.9 | 39% | 0.392 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.8 | 75.9 | 0 | 0 | 0 | 0 | 111.8 | R389 L390 K391 S396 L397 | R389-S393 WeakPolarHBondContact O-CB 3.47Å; R389-S393 PolarHBondContact O-N 3.27Å; R389-S393 PolarHBondContact O-OG 3.43Å; L390-S393 WeakPolarHBondContact CA-OG 3.42Å; L390-S393 PolarHBondContact O-N 2.75Å; L390-S393 PolarHBondContact O-OG 3.18Å; K391-S393 VanDerWaalsContact C-N 3.32Å; K391-S393 PolarHBondContact O-N 3.05Å; S393-S396 WeakPolarHBondContact CA-OG 3.33Å; S393-S396 PolarHBondContact O-OG 2.92Å; S393-S396 VanDerWaalsContact O-OG 3.07Å; S393-L397 WeakPolarHBondContact O-CG 3.33Å; S393-L397 PolarHBondContact O-N 3.39Å |
| 394 | I | 81.7 | Confident | 80.3 | Confident | 41 Ų | 41 | 83.8 Ų | 83.8 | 21% | 0.21 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -70 | -43.7 | 178.2 | -67.1 | 166.2 | 0 | 0 | 0 | 110.9 | L390 K391 E392 S396 L397 L405 L413 | L390-I394 HydrophobicContact CD1-CD1 4.04Å; L390-I394 HydrophobicContact CD1-CG1 4.37Å; L390-I394 HydrophobicContact CG-CD1 3.94Å; L390-I394 VanDerWaalsContact O-CG1 3.3Å; L390-I394 WeakPolarHBondContact O-CG1 3.38Å; L390-I394 PolarHBondContact O-N 2.88Å; K391-I394 PolarHBondContact O-N 3.01Å; E392-I394 VanDerWaalsContact C-N 3.33Å; E392-I394 PolarHBondContact O-N 3Å; I394-S396 VanDerWaalsContact C-N 3.32Å; I394-S396 PolarHBondContact O-N 3.26Å; I394-L397 WeakPolarHBondContact O-CB 3.28Å; I394-L397 PolarHBondContact O-N 2.88Å; I394-L405 HydrophobicContact CG2-CD1 3.41Å; I394-L405 VanDerWaalsContact CG2-CD1 3.41Å; I394-L405 HydrophobicContact CG2-CD2 4.31Å; I394-L405 WeakPolarHBondContact O-CD2 3.37Å; I394-L413 HydrophobicContact CB-CD2 4.13Å; I394-L413 HydrophobicContact CD1-CD2 4.25Å; I394-L413 HydrophobicContact CG2-CD2 3.78Å |
| 395 | L | 79.5 | Confident | 79.6 | Confident | 56 Ų | 56 | 83 Ų | 83 | 29% | 0.293 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.6 | -24.7 | -178.1 | -68 | 178.6 | 0 | 0 | 0 | 113.4 | K391 E392 R410 L413 | K391-L395 HydrophobicContact CD-CD1 4.46Å; K391-L395 HydrophobicContact CG-CD1 3.83Å; K391-L395 HydrophobicContact CG-CG 4.4Å; K391-L395 WeakPolarHBondContact O-CB 3.08Å; K391-L395 WeakPolarHBondContact O-CG 3.35Å; K391-L395 PolarHBondContact O-N 3Å; E392-L395 PolarHBondContact O-N 2.91Å; L395-R410 HydrophobicContact CD2-CB 4.03Å; L395-R410 HydrophobicContact CD2-CG 3.82Å; L395-L413 HydrophobicContact CD2-CD2 4.48Å |
| 396 | S | 82.8 | Confident | 79.1 | Confident | 92 Ų | 92 | 85 Ų | 85 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -7.6 | 175.2 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | E392 S393 I394 | E392-S396 VanDerWaalsContact O-CB 3.25Å; E392-S396 WeakPolarHBondContact O-CB 3.34Å; E392-S396 PolarHBondContact O-N 3.37Å; E392-S396 PolarHBondContact O-OG 2.8Å; S393-S396 WeakPolarHBondContact CA-OG 3.33Å; S393-S396 PolarHBondContact O-OG 2.92Å; S393-S396 VanDerWaalsContact O-OG 3.07Å; I394-S396 VanDerWaalsContact C-N 3.32Å; I394-S396 PolarHBondContact O-N 3.26Å |
| 397 | L | 79.4 | Confident | 78.6 | Confident | 66 Ų | 66 | 86.3 Ų | 86.3 | 35% | 0.346 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -62.6 | 129.9 | 174.1 | -73.9 | 169.2 | 0 | 0 | 0 | 110.1 | S393 I394 C402 | S393-L397 WeakPolarHBondContact O-CG 3.33Å; S393-L397 PolarHBondContact O-N 3.39Å; I394-L397 WeakPolarHBondContact O-CB 3.28Å; I394-L397 PolarHBondContact O-N 2.88Å; L397-C402 HydrophobicContact CD1-CB 4.48Å |
| 398 | P | 75.1 | Confident | 78.3 | Confident | 55 Ų | 55 | 88.3 Ų | 88.3 | 36% | 0.357 | 47% | 0.47 | S | S | . | . | trans | -62.6 | 145.4 | 174.4 | 25.6 | -32.5 | 0 | 0 | 0 | 109.8 | E400 K401 | P398-E400 PolarHBondContact O-N 2.84Å; P398-E400 VanDerWaalsContact O-N 3.09Å; P398-K401 HydrophobicContact CG-CB 4.15Å; P398-K401 HydrophobicContact CG-CD 3.78Å; P398-K401 HydrophobicContact CG-CG 3.85Å; P398-K401 PolarHBondContact O-N 2.91Å | ||
| 399 | P | 70.5 | Confident | 78 | Confident | 91 Ų | 91 | 90.4 Ų | 90.4 | 59% | 0.591 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.1 | -176.7 | 23.8 | -33.5 | 0 | 0 | 0 | 112.6 | K401 C402 | P399-K401 VanDerWaalsContact C-N 3.3Å; P399-K401 PolarHBondContact O-N 3.01Å; P399-C402 CarbonylContact O-C 3.29Å; P399-C402 VanDerWaalsContact O-C 3.29Å; P399-C402 PolarHBondContact O-N 3.03Å |
| 400 | E | 74.7 | Confident | 77.7 | Confident | 179 Ų | 179 | 86.3 Ų | 86.3 | 84% | 0.836 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -33.6 | 175.6 | -62.3 | 178.1 | 178.9 | 0 | 0 | 113.4 | P398 | P398-E400 PolarHBondContact O-N 2.84Å; P398-E400 VanDerWaalsContact O-N 3.09Å |
| 401 | K | 73.5 | Confident | 77.7 | Confident | 164 Ų | 164 | 88.1 Ų | 88.1 | 71% | 0.713 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -20.2 | -179 | -72.6 | -174.4 | -178 | -178 | 0 | 113 | P398 P399 | P398-K401 HydrophobicContact CG-CB 4.15Å; P398-K401 HydrophobicContact CG-CD 3.78Å; P398-K401 HydrophobicContact CG-CG 3.85Å; P398-K401 PolarHBondContact O-N 2.91Å; P399-K401 VanDerWaalsContact C-N 3.3Å; P399-K401 PolarHBondContact O-N 3.01Å |
| 402 | C | 69.4 | Low | 77.7 | Confident | 35 Ų | 35 | 94 Ų | 94 | 24% | 0.236 | 49% | 0.491 | C | S | . | . | trans | -144.6 | 74.8 | -177.8 | -156.3 | 0 | 0 | 0 | 0 | 109.6 | L397 P399 E404 L405 | L397-C402 HydrophobicContact CD1-CB 4.48Å; P399-C402 CarbonylContact O-C 3.29Å; P399-C402 VanDerWaalsContact O-C 3.29Å; P399-C402 PolarHBondContact O-N 3.03Å; C402-E404 PolarHBondContact O-N 3.21Å; C402-L405 HydrophobicContact CB-CB 3.95Å; C402-L405 WeakPolarHBondContact O-CB 3.43Å; C402-L405 PolarHBondContact O-N 2.92Å | ||
| 403 | P | 66.5 | Low | 77.6 | Confident | 108 Ų | 108 | 90.6 Ų | 90.6 | 70% | 0.701 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -26 | -179.1 | 25.1 | -33.6 | 0 | 0 | 0 | 112.2 | L405 | P403-L405 PolarHBondContact O-N 2.73Š|
| 404 | E | 71.7 | Confident | 77.7 | Confident | 159 Ų | 159 | 91.8 Ų | 91.8 | 74% | 0.743 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.1 | 173.5 | -62.9 | -177.6 | 177.5 | 0 | 0 | 113.3 | C402 T406 L409 | C402-E404 PolarHBondContact O-N 3.21Å; E404-T406 PolarHBondContact O-N 2.84Å; E404-L409 WeakPolarHBondContact O-CD2 3.38Å |
| 405 | L | 71.2 | Confident | 77.9 | Confident | 17 Ų | 17 | 95.4 Ų | 95.4 | 9% | 0.089 | 49% | 0.49 | C | S | . | . | trans | -75.9 | 56.2 | 176.8 | -153.4 | 89.3 | 0 | 0 | 0 | 111.5 | I394 C402 P403 L409 R410 | I394-L405 HydrophobicContact CG2-CD1 3.41Å; I394-L405 VanDerWaalsContact CG2-CD1 3.41Å; I394-L405 HydrophobicContact CG2-CD2 4.31Å; I394-L405 WeakPolarHBondContact O-CD2 3.37Å; C402-L405 HydrophobicContact CB-CB 3.95Å; C402-L405 WeakPolarHBondContact O-CB 3.43Å; C402-L405 PolarHBondContact O-N 2.92Å; P403-L405 PolarHBondContact O-N 2.73Å; L405-L409 HydrophobicContact CD1-CD2 4.26Å; L405-R410 HydrophobicContact CD2-CG 4Å; L405-R410 HydrophobicContact CG-CG 3.97Å; L405-R410 PolarHBondContact O-NE 3.44Å | ||
| 406 | T | 75.9 | Confident | 78.1 | Confident | 71 Ų | 71 | 95.7 Ų | 95.7 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | trans | -59.3 | 158.5 | 176.3 | 63.2 | 0 | 0 | 0 | 0 | 110.7 | E404 E408 L409 R410 | E404-T406 PolarHBondContact O-N 2.84Å; T406-E408 PolarHBondContact O-N 2.81Å; T406-L409 PolarHBondContact O-N 3.26Å; T406-L409 PolarHBondContact OG1-N 3.06Å; T406-R410 WeakPolarHBondContact O-CG 3.4Å; T406-R410 PolarHBondContact O-N 2.93Å | ||
| 407 | S | 76.8 | Confident | 78.4 | Confident | 103 Ų | 103 | 93.3 Ų | 93.3 | 72% | 0.72 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -53.9 | -35.4 | 174 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | R410 Q411 | S407-R410 PolarHBondContact O-N 3.42Å; S407-Q411 WeakPolarHBondContact O-CB 3.28Å; S407-Q411 PolarHBondContact O-N 3.44Å |
| 408 | E | 79.5 | Confident | 78.8 | Confident | 100 Ų | 100 | 92.5 Ų | 92.5 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 175.9 | -168 | -177.1 | 169.9 | 0 | 0 | 112 | T406 R410 Q411 R412 | T406-E408 PolarHBondContact O-N 2.81Å; E408-R410 PolarHBondContact O-N 3.28Å; E408-Q411 PolarHBondContact O-N 3.03Å; E408-R412 WeakPolarHBondContact O-CG 3.43Å; E408-R412 PolarHBondContact O-N 3.01Å; E408-R412 IonicContact OE1-CZ 2.72Å; E408-R412 IonicContact OE1-NE 3.03Å; E408-R412 PolarHBondContact OE1-NE 3.22Å; E408-R412 IonicContact OE1-NH2 2.67Å; E408-R412 PolarHBondContact OE1-NH2 3.35Å |
| 409 | L | 82.4 | Confident | 79.4 | Confident | 77 Ų | 77 | 97.5 Ų | 97.5 | 40% | 0.403 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 178 | -169.6 | 64.4 | 0 | 0 | 0 | 111.5 | E404 L405 T406 Q411 R412 L413 | E404-L409 WeakPolarHBondContact O-CD2 3.38Å; L405-L409 HydrophobicContact CD1-CD2 4.26Å; T406-L409 PolarHBondContact O-N 3.26Å; T406-L409 PolarHBondContact OG1-N 3.06Å; L409-Q411 VanDerWaalsContact C-N 3.31Å; L409-Q411 PolarHBondContact O-N 3.29Å; L409-R412 PolarHBondContact O-N 3.31Å; L409-L413 WeakPolarHBondContact O-CB 3.33Å; L409-L413 PolarHBondContact O-N 2.97Å |
| 410 | R | 82.1 | Confident | 80 | Confident | 88 Ų | 88 | 94.6 Ų | 94.6 | 33% | 0.332 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 173 | -66.1 | 179.4 | -176.2 | -153.2 | -8.3 | 111.5 | L395 L405 T406 S407 E408 L413 E414 | L395-R410 HydrophobicContact CD2-CB 4.03Å; L395-R410 HydrophobicContact CD2-CG 3.82Å; L405-R410 HydrophobicContact CD2-CG 4Å; L405-R410 HydrophobicContact CG-CG 3.97Å; L405-R410 PolarHBondContact O-NE 3.44Å; T406-R410 WeakPolarHBondContact O-CG 3.4Å; T406-R410 PolarHBondContact O-N 2.93Å; S407-R410 PolarHBondContact O-N 3.42Å; E408-R410 PolarHBondContact O-N 3.28Å; R410-L413 PolarHBondContact O-N 3.12Å; R410-E414 PolarHBondContact O-N 3.35Å |
| 411 | Q | 83.9 | Confident | 80.6 | Confident | 142 Ų | 142 | 87.6 Ų | 87.6 | 66% | 0.664 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.3 | -40 | 177.7 | -168.5 | -177.5 | 16.8 | 0 | 0 | 112.1 | S407 E408 L409 E414 K415 | S407-Q411 WeakPolarHBondContact O-CB 3.28Å; S407-Q411 PolarHBondContact O-N 3.44Å; E408-Q411 PolarHBondContact O-N 3.03Å; L409-Q411 VanDerWaalsContact C-N 3.31Å; L409-Q411 PolarHBondContact O-N 3.29Å; Q411-E414 PolarHBondContact O-N 2.73Å; Q411-K415 WeakPolarHBondContact O-CB 3.38Å; Q411-K415 PolarHBondContact O-N 2.81Å |
| 412 | R | 83.7 | Confident | 81.3 | Confident | 157 Ų | 157 | 84.3 Ų | 84.3 | 59% | 0.592 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 174.3 | -70.6 | 177.8 | -175.4 | -162.4 | 2.1 | 111.4 | E408 L409 K415 S416 | E408-R412 WeakPolarHBondContact O-CG 3.43Å; E408-R412 PolarHBondContact O-N 3.01Å; E408-R412 IonicContact OE1-CZ 2.72Å; E408-R412 IonicContact OE1-NE 3.03Å; E408-R412 PolarHBondContact OE1-NE 3.22Å; E408-R412 IonicContact OE1-NH2 2.67Å; E408-R412 PolarHBondContact OE1-NH2 3.35Å; L409-R412 PolarHBondContact O-N 3.31Å; R412-K415 PolarHBondContact O-N 3.46Å; R412-S416 PolarHBondContact O-N 2.76Å |
| 413 | L | 84.4 | Confident | 82 | Confident | 46 Ų | 46 | 85.3 Ų | 85.3 | 24% | 0.241 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 175.5 | -172.1 | 68.6 | 0 | 0 | 0 | 110.8 | I394 L395 L409 R410 K415 S416 Y417 | I394-L413 HydrophobicContact CB-CD2 4.13Å; I394-L413 HydrophobicContact CD1-CD2 4.25Å; I394-L413 HydrophobicContact CG2-CD2 3.78Å; L395-L413 HydrophobicContact CD2-CD2 4.48Å; L409-L413 WeakPolarHBondContact O-CB 3.33Å; L409-L413 PolarHBondContact O-N 2.97Å; R410-L413 PolarHBondContact O-N 3.12Å; L413-K415 VanDerWaalsContact C-N 3.33Å; L413-K415 PolarHBondContact O-N 3.46Å; L413-S416 PolarHBondContact O-N 2.9Å; L413-S416 VanDerWaalsContact O-N 3.14Å; L413-S416 PolarHBondContact O-OG 3.4Å; L413-Y417 WeakPolarHBondContact O-CB 3.31Å; L413-Y417 PolarHBondContact O-N 3.1Å |
| 414 | E | 86.5 | Confident | 82.8 | Confident | 80 Ų | 80 | 81.1 Ų | 81.1 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 176.4 | -168.3 | 61.3 | -138.4 | 0 | 0 | 112.3 | K391 R410 Q411 S416 Y417 S418 | K391-E414 WeakPolarHBondContact CE-OE2 3.31Å; K391-E414 IonicContact NZ-OE1 3.4Å; K391-E414 PolarHBondContact NZ-OE1 3.41Å; K391-E414 IonicContact NZ-OE2 3.37Å; K391-E414 PolarHBondContact NZ-OE2 2.97Å; R410-E414 PolarHBondContact O-N 3.35Å; Q411-E414 PolarHBondContact O-N 2.73Å; E414-S416 VanDerWaalsContact C-N 3.35Å; E414-S416 PolarHBondContact O-N 2.83Å; E414-Y417 PolarHBondContact O-N 3.39Å; E414-S418 WeakPolarHBondContact O-CB 3.32Å; E414-S418 PolarHBondContact O-N 3.03Å; E414-S418 PolarHBondContact O-OG 3.12Å |
| 415 | K | 86.7 | Confident | 83.4 | Confident | 117 Ų | 117 | 79.5 Ų | 79.5 | 51% | 0.509 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 176.3 | -169.4 | 178.3 | -178.9 | -177.8 | 0 | 112 | Q411 R412 L413 S418 R419 | Q411-K415 WeakPolarHBondContact O-CB 3.38Å; Q411-K415 PolarHBondContact O-N 2.81Å; R412-K415 PolarHBondContact O-N 3.46Å; L413-K415 VanDerWaalsContact C-N 3.33Å; L413-K415 PolarHBondContact O-N 3.46Å; K415-S418 WeakPolarHBondContact CA-OG 3.45Å; K415-S418 PolarHBondContact O-OG 3.12Å; K415-R419 VanDerWaalsContact O-CG 3.27Å; K415-R419 WeakPolarHBondContact O-CG 3.25Å; K415-R419 PolarHBondContact O-N 3.15Å |
| 416 | S | 83.4 | Confident | 84.1 | Confident | 63 Ų | 63 | 85.1 Ų | 85.1 | 44% | 0.441 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.4 | -40.6 | 175.9 | 72.8 | 0 | 0 | 0 | 0 | 112 | R412 L413 E414 R419 A420 | R412-S416 PolarHBondContact O-N 2.76Å; L413-S416 PolarHBondContact O-N 2.9Å; L413-S416 VanDerWaalsContact O-N 3.14Å; L413-S416 PolarHBondContact O-OG 3.4Å; E414-S416 VanDerWaalsContact C-N 3.35Å; E414-S416 PolarHBondContact O-N 2.83Å; S416-R419 PolarHBondContact O-N 2.9Å; S416-A420 PolarHBondContact O-N 3.13Å |
| 417 | Y | 88.2 | Confident | 84.4 | Confident | 41 Ų | 41 | 86.2 Ų | 86.2 | 16% | 0.161 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.8 | -51.5 | 175.8 | 175.9 | -99.3 | 0 | 0 | 0 | 111.6 | I387 T388 K391 L413 E414 R419 A420 V421 | I387-Y417 HydrophobicContact CG2-CD2 3.67Å; I387-Y417 HydrophobicContact CG2-CE2 3.93Å; T388-Y417 HydrophobicContact CG2-CE2 4.4Å; T388-Y417 WeakPolarHBondContact CG2-OH 3.34Å; T388-Y417 WeakPolarHBondContact OG1-CE2 3.45Å; T388-Y417 PolarHBondContact OG1-OH 3.18Å; K391-Y417 HydrophobicContact CB-CD2 4.31Å; K391-Y417 HydrophobicContact CD-CD1 3.76Å; K391-Y417 HydrophobicContact CD-CD2 3.64Å; K391-Y417 HydrophobicContact CD-CE1 4.08Å; K391-Y417 HydrophobicContact CD-CE2 3.99Å; K391-Y417 HydrophobicContact CD-CG 3.53Å; K391-Y417 VanDerWaalsContact NZ-CD1 3.32Å; L413-Y417 WeakPolarHBondContact O-CB 3.31Å; L413-Y417 PolarHBondContact O-N 3.1Å; E414-Y417 PolarHBondContact O-N 3.39Å; Y417-R419 VanDerWaalsContact C-N 3.26Å; Y417-R419 PolarHBondContact O-N 3.24Å; Y417-A420 WeakPolarHBondContact O-CA 3.28Å; Y417-A420 WeakPolarHBondContact O-CB 3.33Å; Y417-A420 PolarHBondContact O-N 3.33Å; Y417-V421 HydrophobicContact CD1-CG2 4.08Å; Y417-V421 HydrophobicContact CE1-CG2 3.61Å; Y417-V421 HydrophobicContact CE2-CG2 4.08Å; Y417-V421 HydrophobicContact CG-CG2 4.5Å; Y417-V421 WeakPolarHBondContact O-CG2 3.18Å; Y417-V421 PolarHBondContact O-N 3.07Å |
| 418 | S | 88.4 | Confident | 84.7 | Confident | 49 Ų | 49 | 83 Ų | 83 | 34% | 0.343 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.1 | -38.4 | 177.3 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | E414 K415 V421 I422 | E414-S418 WeakPolarHBondContact O-CB 3.32Å; E414-S418 PolarHBondContact O-N 3.03Å; E414-S418 PolarHBondContact O-OG 3.12Å; K415-S418 WeakPolarHBondContact CA-OG 3.45Å; K415-S418 PolarHBondContact O-OG 3.12Å; S418-V421 PolarHBondContact O-N 3.37Å; S418-I422 WeakPolarHBondContact O-CD1 3.34Å; S418-I422 VanDerWaalsContact O-CG1 3.28Å; S418-I422 WeakPolarHBondContact O-CG1 3.35Å; S418-I422 PolarHBondContact O-N 3.11Å |
| 419 | R | 87.7 | Confident | 84.9 | Confident | 161 Ų | 161 | 79.7 Ų | 79.7 | 61% | 0.608 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 172.1 | -75.2 | 173.1 | 174.9 | -175.2 | -3.9 | 112.7 | K415 S416 Y417 I422 A423 | K415-R419 VanDerWaalsContact O-CG 3.27Å; K415-R419 WeakPolarHBondContact O-CG 3.25Å; K415-R419 PolarHBondContact O-N 3.15Å; S416-R419 PolarHBondContact O-N 2.9Å; Y417-R419 VanDerWaalsContact C-N 3.26Å; Y417-R419 PolarHBondContact O-N 3.24Å; R419-I422 PolarHBondContact O-N 3.22Å; R419-A423 WeakPolarHBondContact O-CB 3.42Å; R419-A423 PolarHBondContact O-N 3.35Å |
| 420 | A | 83 | Confident | 84.8 | Confident | 30 Ų | 30 | 78.3 Ų | 78.3 | 25% | 0.248 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S416 Y417 A423 C424 | S416-A420 PolarHBondContact O-N 3.13Å; Y417-A420 WeakPolarHBondContact O-CA 3.28Å; Y417-A420 WeakPolarHBondContact O-CB 3.33Å; Y417-A420 PolarHBondContact O-N 3.33Å; A420-A423 PolarHBondContact O-N 3.03Å; A420-C424 WeakPolarHBondContact O-CB 3.49Å; A420-C424 PolarHBondContact O-N 2.88Å; A420-C424 PolarHBondContact O-SG 3.12Å; A420-C424 VanDerWaalsContact O-SG 3.34Å |
| 421 | V | 87.8 | Confident | 85 | Confident | 32 Ų | 32 | 75.1 Ų | 75.1 | 19% | 0.194 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 175.2 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | L384 Y417 S418 A423 C424 E425 | L384-V421 HydrophobicContact CD2-CG2 4.27Å; Y417-V421 HydrophobicContact CD1-CG2 4.08Å; Y417-V421 HydrophobicContact CE1-CG2 3.61Å; Y417-V421 HydrophobicContact CE2-CG2 4.08Å; Y417-V421 HydrophobicContact CG-CG2 4.5Å; Y417-V421 WeakPolarHBondContact O-CG2 3.18Å; Y417-V421 PolarHBondContact O-N 3.07Å; S418-V421 PolarHBondContact O-N 3.37Å; V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 3.48Å; V421-C424 PolarHBondContact O-N 3.36Å; V421-C424 VanDerWaalsContact O-N 3.17Å; V421-E425 HydrophobicContact CG1-CG 4.36Å; V421-E425 WeakPolarHBondContact O-CG 3.36Å; V421-E425 PolarHBondContact O-N 2.98Å |
| 422 | I | 88.2 | Confident | 85.1 | Confident | 94 Ų | 94 | 76.6 Ų | 76.6 | 48% | 0.482 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 178.1 | -66.8 | 163.7 | 0 | 0 | 0 | 111.2 | S418 R419 C424 E425 M426 | S418-I422 WeakPolarHBondContact O-CD1 3.34Å; S418-I422 VanDerWaalsContact O-CG1 3.28Å; S418-I422 WeakPolarHBondContact O-CG1 3.35Å; S418-I422 PolarHBondContact O-N 3.11Å; R419-I422 PolarHBondContact O-N 3.22Å; I422-C424 VanDerWaalsContact C-N 3.33Å; I422-C424 PolarHBondContact O-N 3.4Å; I422-E425 PolarHBondContact O-N 3.16Å; I422-M426 HydrophobicContact CG2-CG 4.5Å; I422-M426 HydrophobicContact CG2-SD 4.34Å; I422-M426 WeakPolarHBondContact O-CB 3.47Å; I422-M426 WeakPolarHBondContact O-CG 2.99Å; I422-M426 PolarHBondContact O-N 3.32Å |
| 423 | A | 83.5 | Confident | 85.2 | Confident | 57 Ų | 57 | 73 Ų | 73 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | R419 A420 V421 M426 L427 | R419-A423 WeakPolarHBondContact O-CB 3.42Å; R419-A423 PolarHBondContact O-N 3.35Å; A420-A423 PolarHBondContact O-N 3.03Å; V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 3.48Å; A423-M426 PolarHBondContact O-N 3.08Å; A423-L427 WeakPolarHBondContact O-CB 3.41Å; A423-L427 PolarHBondContact O-N 3.21Å |
| 424 | C | 83.9 | Confident | 85.1 | Confident | 20 Ų | 20 | 74.9 Ų | 74.9 | 14% | 0.135 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.2 | -38.9 | 176.3 | -71 | 0 | 0 | 0 | 0 | 112.5 | L380 L384 A420 V421 I422 L427 A428 | L380-C424 HydrophobicContact CD1-CB 4.37Å; L380-C424 HydrophobicContact CD2-CB 3.89Å; L380-C424 HydrophobicContact CG-CB 4.16Å; L384-C424 HydrophobicContact CD1-CB 3.48Å; L384-C424 VanDerWaalsContact CD1-CB 3.48Å; L384-C424 HydrophobicContact CD2-CB 3.6Å; L384-C424 VanDerWaalsContact CD2-SG 3.5Å; L384-C424 HydrophobicContact CG-CB 3.62Å; A420-C424 WeakPolarHBondContact O-CB 3.49Å; A420-C424 PolarHBondContact O-N 2.88Å; A420-C424 PolarHBondContact O-SG 3.12Å; A420-C424 VanDerWaalsContact O-SG 3.34Å; V421-C424 PolarHBondContact O-N 3.36Å; V421-C424 VanDerWaalsContact O-N 3.17Å; I422-C424 VanDerWaalsContact C-N 3.33Å; I422-C424 PolarHBondContact O-N 3.4Å; C424-L427 PolarHBondContact O-N 3.43Å; C424-A428 VanDerWaalsContact O-CB 3.31Å; C424-A428 WeakPolarHBondContact O-CB 3.28Å; C424-A428 PolarHBondContact O-N 3.16Å |
| 425 | E | 84.3 | Confident | 85 | Confident | 125 Ų | 125 | 72.8 Ų | 72.8 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 173.4 | -74.6 | 179.4 | 171.2 | 0 | 0 | 111.8 | V421 I422 A428 G429 | V421-E425 HydrophobicContact CG1-CG 4.36Å; V421-E425 WeakPolarHBondContact O-CG 3.36Å; V421-E425 PolarHBondContact O-N 2.98Å; I422-E425 PolarHBondContact O-N 3.16Å; E425-A428 PolarHBondContact O-N 2.9Å; E425-G429 PolarHBondContact O-N 2.98Å |
| 426 | M | 85 | Confident | 84.9 | Confident | 135 Ų | 135 | 71.6 Ų | 71.6 | 67% | 0.665 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | 174.5 | -76.4 | -176.1 | 58.2 | 0 | 0 | 111.8 | I422 A423 G429 A430 | I422-M426 HydrophobicContact CG2-CG 4.5Å; I422-M426 HydrophobicContact CG2-SD 4.34Å; I422-M426 WeakPolarHBondContact O-CB 3.47Å; I422-M426 WeakPolarHBondContact O-CG 2.99Å; I422-M426 PolarHBondContact O-N 3.32Å; A423-M426 PolarHBondContact O-N 3.08Å; M426-G429 PolarHBondContact O-N 3.2Å; M426-A430 PolarHBondContact O-N 2.92Å |
| 427 | L | 83 | Confident | 84.8 | Confident | 94 Ų | 94 | 73.7 Ų | 73.7 | 49% | 0.492 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 178.5 | -179.9 | 56.9 | 0 | 0 | 0 | 111.4 | L380 A423 C424 G429 A430 L431 | L380-L427 HydrophobicContact CD1-CB 3.79Å; L380-L427 HydrophobicContact CD1-CD2 3.53Å; L380-L427 HydrophobicContact CD1-CG 3.6Å; A423-L427 WeakPolarHBondContact O-CB 3.41Å; A423-L427 PolarHBondContact O-N 3.21Å; C424-L427 PolarHBondContact O-N 3.43Å; L427-G429 VanDerWaalsContact C-N 3.33Å; L427-G429 PolarHBondContact O-N 3.36Å; L427-A430 PolarHBondContact O-N 2.97Å; L427-L431 HydrophobicContact CD1-CG 4.36Å; L427-L431 HydrophobicContact CG-CD1 4.41Å; L427-L431 WeakPolarHBondContact O-CG 3.33Å; L427-L431 PolarHBondContact O-N 3.33Å |
| 428 | A | 82.5 | Confident | 84.4 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 30% | 0.298 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L380 C424 E425 A430 L431 R432 | L380-A428 HydrophobicContact CD2-CB 4.25Å; C424-A428 VanDerWaalsContact O-CB 3.31Å; C424-A428 WeakPolarHBondContact O-CB 3.28Å; C424-A428 PolarHBondContact O-N 3.16Å; E425-A428 PolarHBondContact O-N 2.9Å; A428-A430 PolarHBondContact O-N 3.33Å; A428-L431 PolarHBondContact O-N 3.49Å; A428-R432 WeakPolarHBondContact O-CB 3.44Å; A428-R432 PolarHBondContact O-N 3.37Å |
| 429 | G | 83.7 | Confident | 84.1 | Confident | 30 Ų | 30 | 72.3 Ų | 72.3 | 31% | 0.309 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E425 M426 L427 N433 | E425-G429 PolarHBondContact O-N 2.98Å; M426-G429 PolarHBondContact O-N 3.2Å; L427-G429 VanDerWaalsContact C-N 3.33Å; L427-G429 PolarHBondContact O-N 3.36Å; G429-N433 WeakPolarHBondContact O-CB 3Å; G429-N433 PolarHBondContact O-N 2.9Å |
| 430 | A | 81.7 | Confident | 83.7 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 39% | 0.388 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M426 L427 A428 R432 N433 I434 | M426-A430 PolarHBondContact O-N 2.92Å; L427-A430 PolarHBondContact O-N 2.97Å; A428-A430 PolarHBondContact O-N 3.33Å; A430-R432 PolarHBondContact O-N 3.48Å; A430-N433 PolarHBondContact O-N 3.13Å; A430-I434 WeakPolarHBondContact O-CG1 3.14Å; A430-I434 PolarHBondContact O-N 2.88Å |
| 431 | L | 84.7 | Confident | 83.4 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 11% | 0.11 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.1 | -44 | 176.6 | -70.6 | 175.5 | 0 | 0 | 0 | 111.3 | I373 L427 A428 N433 I434 M435 | I373-L431 HydrophobicContact CG1-CD2 4.43Å; I373-L431 HydrophobicContact CG2-CB 3.95Å; I373-L431 HydrophobicContact CG2-CD2 3.92Å; I373-L431 HydrophobicContact CG2-CG 4.41Å; L427-L431 HydrophobicContact CD1-CG 4.36Å; L427-L431 HydrophobicContact CG-CD1 4.41Å; L427-L431 WeakPolarHBondContact O-CG 3.33Å; L427-L431 PolarHBondContact O-N 3.33Å; A428-L431 PolarHBondContact O-N 3.49Å; L431-N433 PolarHBondContact O-N 2.88Å; L431-I434 PolarHBondContact O-N 2.88Å; L431-M435 WeakPolarHBondContact O-CG 3.39Å; L431-M435 PolarHBondContact O-N 3.08Å |
| 432 | R | 86.7 | Confident | 83 | Confident | 174 Ų | 174 | 70 Ų | 70 | 66% | 0.657 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.7 | -44.6 | 175.3 | -176.5 | 173.5 | 61.6 | 172.8 | -1 | 111.9 | A428 A430 I434 M435 D436 | A428-R432 WeakPolarHBondContact O-CB 3.44Å; A428-R432 PolarHBondContact O-N 3.37Å; A430-R432 PolarHBondContact O-N 3.48Å; R432-I434 VanDerWaalsContact C-N 3.31Å; R432-I434 PolarHBondContact O-N 3.15Å; R432-M435 WeakPolarHBondContact O-CB 3.38Å; R432-M435 PolarHBondContact O-N 3.43Å; R432-M435 VanDerWaalsContact O-N 3.15Å; R432-D436 VanDerWaalsContact O-CG 3.3Å; R432-D436 PolarHBondContact O-N 2.82Å |
| 433 | N | 85.8 | Confident | 82.5 | Confident | 82 Ų | 82 | 68.7 Ų | 68.7 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 177.6 | -168.1 | 22.9 | 0 | 0 | 0 | 111.9 | G429 A430 L431 D436 H437 | G429-N433 WeakPolarHBondContact O-CB 3Å; G429-N433 PolarHBondContact O-N 2.9Å; A430-N433 PolarHBondContact O-N 3.13Å; L431-N433 PolarHBondContact O-N 2.88Å; N433-D436 PolarHBondContact O-N 3.28Å; N433-H437 PolarHBondContact O-N 3.03Å; N433-H437 VanDerWaalsContact O-N 3.15Å; N433-H437 PolarHBondContact O-ND1 3.05Å; N433-H437 PolarHBondContact OD1-CE1 3.12Å; N433-H437 PolarHBondContact OD1-ND1 3.27Å |
| 434 | I | 82 | Confident | 82 | Confident | 84 Ų | 84 | 71 Ų | 71 | 43% | 0.431 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 175.6 | -63.5 | 165 | 0 | 0 | 0 | 110.6 | I373 A430 L431 R432 H437 L438 | I373-I434 HydrophobicContact CD1-CB 4.22Å; I373-I434 HydrophobicContact CD1-CG2 3.47Å; I373-I434 VanDerWaalsContact CD1-CG2 3.47Å; A430-I434 WeakPolarHBondContact O-CG1 3.14Å; A430-I434 PolarHBondContact O-N 2.88Å; L431-I434 PolarHBondContact O-N 2.88Å; R432-I434 VanDerWaalsContact C-N 3.31Å; R432-I434 PolarHBondContact O-N 3.15Å; I434-H437 PolarHBondContact O-N 3.13Å; I434-L438 WeakPolarHBondContact O-CB 3.37Å; I434-L438 PolarHBondContact O-N 3.18Å |
| 435 | M | 85.3 | Confident | 81.3 | Confident | 36 Ų | 36 | 71.8 Ų | 71.8 | 18% | 0.177 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 175.6 | -74.6 | -68.7 | -61.9 | 0 | 0 | 112.3 | Q370 I373 E374 L431 R432 H437 L438 A439 | Q370-M435 HydrophobicContact CB-SD 4.49Å; Q370-M435 HydrophobicContact CG-CE 3.37Å; Q370-M435 HydrophobicContact CG-SD 3.63Å; I373-M435 HydrophobicContact CB-CG 4.24Å; I373-M435 HydrophobicContact CB-SD 3.76Å; I373-M435 HydrophobicContact CD1-CG 4.49Å; I373-M435 HydrophobicContact CD1-SD 4.12Å; I373-M435 HydrophobicContact CG2-CG 3.4Å; I373-M435 VanDerWaalsContact CG2-CG 3.4Å; I373-M435 HydrophobicContact CG2-SD 3.6Å; I373-M435 VanDerWaalsContact CG2-SD 3.6Å; E374-M435 HydrophobicContact CG-CE 4.04Å; E374-M435 HydrophobicContact CG-SD 4.5Å; L431-M435 WeakPolarHBondContact O-CG 3.39Å; L431-M435 PolarHBondContact O-N 3.08Å; R432-M435 WeakPolarHBondContact O-CB 3.38Å; R432-M435 PolarHBondContact O-N 3.43Å; R432-M435 VanDerWaalsContact O-N 3.15Å; M435-H437 PolarHBondContact O-N 3.16Å; M435-L438 PolarHBondContact O-N 2.98Å; M435-A439 WeakPolarHBondContact O-CB 2.84Å; M435-A439 PolarHBondContact O-N 3.33Å |
| 436 | D | 85 | Confident | 80.6 | Confident | 92 Ų | 92 | 70.8 Ų | 70.8 | 49% | 0.492 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 178.8 | -66.6 | -24 | 0 | 0 | 0 | 110.9 | R432 N433 L438 A439 T440 | R432-D436 VanDerWaalsContact O-CG 3.3Å; R432-D436 PolarHBondContact O-N 2.82Å; N433-D436 PolarHBondContact O-N 3.28Å; D436-L438 VanDerWaalsContact C-N 3.32Å; D436-L438 PolarHBondContact O-N 2.87Å; D436-A439 PolarHBondContact O-N 3.18Å; D436-T440 PolarHBondContact O-N 2.97Å; D436-T440 PolarHBondContact O-OG1 2.91Å |
| 437 | H | 81.2 | Confident | 79.5 | Confident | 107 Ų | 107 | 70.4 Ų | 70.4 | 50% | 0.495 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 175.4 | -70.9 | 107.4 | 0 | 0 | 0 | 112.7 | N433 I434 M435 T440 L441 | N433-H437 PolarHBondContact O-N 3.03Å; N433-H437 VanDerWaalsContact O-N 3.15Å; N433-H437 PolarHBondContact O-ND1 3.05Å; N433-H437 PolarHBondContact OD1-CE1 3.12Å; N433-H437 PolarHBondContact OD1-ND1 3.27Å; I434-H437 PolarHBondContact O-N 3.13Å; M435-H437 PolarHBondContact O-N 3.16Å; H437-T440 VanDerWaalsContact C-OG1 3.31Å; H437-T440 WeakPolarHBondContact CA-OG1 3.47Å; H437-T440 PolarHBondContact O-N 3.17Å; H437-T440 PolarHBondContact O-OG1 3.26Å; H437-L441 VanDerWaalsContact O-CG 3.32Å; H437-L441 WeakPolarHBondContact O-CG 3.29Å; H437-L441 PolarHBondContact O-N 2.72Å |
| 438 | L | 79.5 | Confident | 78.3 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.047 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.4 | -39.8 | 178 | -166.1 | 121.4 | 0 | 0 | 0 | 111.1 | L366 I369 Q370 I434 M435 D436 L441 L442 | L366-L438 HydrophobicContact CB-CD1 4.04Å; L366-L438 HydrophobicContact CB-CG 4.33Å; L366-L438 HydrophobicContact CD2-CD1 3.53Å; L366-L438 HydrophobicContact CD2-CG 4.28Å; L366-L438 HydrophobicContact CG-CD1 4.37Å; I369-L438 HydrophobicContact CB-CD1 4.21Å; I369-L438 HydrophobicContact CG2-CD1 3.95Å; Q370-L438 HydrophobicContact CB-CD2 3.48Å; Q370-L438 VanDerWaalsContact CB-CD2 3.48Å; Q370-L438 HydrophobicContact CG-CD2 3.74Å; I434-L438 WeakPolarHBondContact O-CB 3.37Å; I434-L438 PolarHBondContact O-N 3.18Å; M435-L438 PolarHBondContact O-N 2.98Å; D436-L438 VanDerWaalsContact C-N 3.32Å; D436-L438 PolarHBondContact O-N 2.87Å; L438-L441 PolarHBondContact O-N 3.03Å; L438-L442 HydrophobicContact CD2-CD1 3.68Å; L438-L442 HydrophobicContact CD2-CG 4.47Å; L438-L442 HydrophobicContact CG-CD1 4.38Å; L438-L442 WeakPolarHBondContact O-CB 3.38Å; L438-L442 WeakPolarHBondContact O-CG 3.4Å; L438-L442 PolarHBondContact O-N 3.44Å |
| 439 | A | 81.6 | Confident | 77.1 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 44% | 0.438 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M435 D436 L441 L442 S443 | M435-A439 WeakPolarHBondContact O-CB 2.84Å; M435-A439 PolarHBondContact O-N 3.33Å; D436-A439 PolarHBondContact O-N 3.18Å; A439-L441 PolarHBondContact O-N 3.07Å; A439-L442 PolarHBondContact O-N 2.62Å; A439-S443 WeakPolarHBondContact O-CB 3.3Å; A439-S443 PolarHBondContact O-N 3.01Å; A439-S443 PolarHBondContact O-OG 3.4Å |
| 440 | T | 79.2 | Confident | 75.7 | Confident | 68 Ų | 68 | 83 Ų | 83 | 42% | 0.417 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 174 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | D436 H437 L442 S443 E444 | D436-T440 PolarHBondContact O-N 2.97Å; D436-T440 PolarHBondContact O-OG1 2.91Å; H437-T440 VanDerWaalsContact C-OG1 3.31Å; H437-T440 WeakPolarHBondContact CA-OG1 3.47Å; H437-T440 PolarHBondContact O-N 3.17Å; H437-T440 PolarHBondContact O-OG1 3.26Å; T440-L442 PolarHBondContact O-N 3.49Å; T440-S443 PolarHBondContact O-N 3.24Å; T440-S443 PolarHBondContact O-OG 3.47Å; T440-E444 WeakPolarHBondContact O-CG 3.47Å; T440-E444 PolarHBondContact O-N 3.17Å |
| 441 | L | 77.3 | Confident | 74.2 | Confident | 87 Ų | 87 | 85.8 Ų | 85.8 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 178.4 | -73.4 | 169.2 | 0 | 0 | 0 | 112.5 | L366 H437 L438 A439 Y445 | L366-L441 HydrophobicContact CD1-CB 4.47Å; H437-L441 VanDerWaalsContact O-CG 3.32Å; H437-L441 WeakPolarHBondContact O-CG 3.29Å; H437-L441 PolarHBondContact O-N 2.72Å; L438-L441 PolarHBondContact O-N 3.03Å; A439-L441 PolarHBondContact O-N 3.07Å; L441-Y445 WeakPolarHBondContact O-CB 3.47Å; L441-Y445 PolarHBondContact O-N 2.84Å |
| 442 | L | 78.6 | Confident | 72.8 | Confident | 18 Ų | 18 | 90.8 Ų | 90.8 | 9% | 0.094 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -67.7 | -37.1 | 176.5 | -71.3 | 172 | 0 | 0 | 0 | 111.7 | V363 L366 L367 L438 A439 T440 Y445 N446 | V363-L442 HydrophobicContact CG1-CD2 3.82Å; L366-L442 HydrophobicContact CB-CD2 4.15Å; L367-L442 HydrophobicContact CD2-CD1 3.83Å; L367-L442 HydrophobicContact CD2-CD2 4.3Å; L367-L442 HydrophobicContact CG-CD2 4.28Å; L438-L442 HydrophobicContact CD2-CD1 3.68Å; L438-L442 HydrophobicContact CD2-CG 4.47Å; L438-L442 HydrophobicContact CG-CD1 4.38Å; L438-L442 WeakPolarHBondContact O-CB 3.38Å; L438-L442 WeakPolarHBondContact O-CG 3.4Å; L438-L442 PolarHBondContact O-N 3.44Å; A439-L442 PolarHBondContact O-N 2.62Å; T440-L442 PolarHBondContact O-N 3.49Å; L442-Y445 PolarHBondContact O-N 2.95Å; L442-N446 VanDerWaalsContact O-CG 3.27Å; L442-N446 PolarHBondContact O-N 2.85Å; L442-N446 PolarHBondContact O-ND2 2.99Å |
| 443 | S | 78.3 | Confident | 71.1 | Confident | 67 Ų | 67 | 90 Ų | 90 | 47% | 0.469 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 176.7 | 76.4 | 0 | 0 | 0 | 0 | 112.4 | A439 T440 Y445 N446 L447 | A439-S443 WeakPolarHBondContact O-CB 3.3Å; A439-S443 PolarHBondContact O-N 3.01Å; A439-S443 PolarHBondContact O-OG 3.4Å; T440-S443 PolarHBondContact O-N 3.24Å; T440-S443 PolarHBondContact O-OG 3.47Å; S443-Y445 VanDerWaalsContact C-N 3.35Å; S443-N446 PolarHBondContact O-N 3.33Å; S443-L447 PolarHBondContact O-N 2.93Å |
| 444 | E | 73.2 | Confident | 69.3 | Low | 107 Ų | 107 | 92 Ų | 92 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 174.9 | -73.7 | 179.7 | -179 | 0 | 0 | 110 | T440 N446 L447 Y448 | T440-E444 WeakPolarHBondContact O-CG 3.47Å; T440-E444 PolarHBondContact O-N 3.17Å; E444-N446 PolarHBondContact O-N 3.06Å; E444-L447 WeakPolarHBondContact O-CB 3.48Å; E444-L447 PolarHBondContact O-N 2.9Å; E444-L447 VanDerWaalsContact O-N 3.12Å; E444-Y448 HydrophobicContact CB-CE2 4.41Å; E444-Y448 WeakPolarHBondContact O-CD2 3.37Å; E444-Y448 PolarHBondContact O-N 3.09Å |
| 445 | Y | 69.2 | Low | 67.4 | Low | 35 Ų | 35 | 94 Ų | 94 | 14% | 0.137 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 174.8 | 177.1 | -102 | 0 | 0 | 0 | 112.9 | L359 V363 L441 L442 S443 L447 Y448 N449 | L359-Y445 HydrophobicContact CB-CE2 3.93Å; V363-Y445 HydrophobicContact CB-CD1 4.25Å; V363-Y445 HydrophobicContact CB-CE1 4.03Å; V363-Y445 HydrophobicContact CG1-CD1 3.93Å; V363-Y445 HydrophobicContact CG1-CE1 3.8Å; V363-Y445 HydrophobicContact CG2-CD1 3.46Å; V363-Y445 VanDerWaalsContact CG2-CD1 3.46Å; V363-Y445 HydrophobicContact CG2-CD2 3.59Å; V363-Y445 HydrophobicContact CG2-CE1 3.56Å; V363-Y445 HydrophobicContact CG2-CE2 3.71Å; V363-Y445 HydrophobicContact CG2-CG 3.45Å; V363-Y445 VanDerWaalsContact CG2-CG 3.45Å; L441-Y445 WeakPolarHBondContact O-CB 3.47Å; L441-Y445 PolarHBondContact O-N 2.84Å; L442-Y445 PolarHBondContact O-N 2.95Å; S443-Y445 VanDerWaalsContact C-N 3.35Å; Y445-L447 VanDerWaalsContact C-N 3.26Å; Y445-L447 PolarHBondContact O-N 3.02Å; Y445-Y448 PolarHBondContact O-N 2.93Å; Y445-N449 WeakPolarHBondContact CE1-ND2 3.49Å; Y445-N449 PolarHBondContact O-N 2.76Å; Y445-N449 PolarHBondContact OH-ND2 2.94Å; Y445-N449 VanDerWaalsContact OH-ND2 3.1Å |
| 446 | N | 68.4 | Low | 65.7 | Low | 104 Ų | 104 | 98.5 Ų | 98.5 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.2 | -32 | 176.7 | -71.9 | -26.2 | 0 | 0 | 0 | 112.4 | L442 S443 E444 N449 R450 | L442-N446 VanDerWaalsContact O-CG 3.27Å; L442-N446 PolarHBondContact O-N 2.85Å; L442-N446 PolarHBondContact O-ND2 2.99Å; S443-N446 PolarHBondContact O-N 3.33Å; E444-N446 PolarHBondContact O-N 3.06Å; N446-N449 PolarHBondContact O-N 3.06Å; N446-R450 PolarHBondContact O-N 2.86Å; N446-R450 VanDerWaalsContact O-N 3.16Å |
| 447 | L | 62.2 | Low | 63.8 | Low | 127 Ų | 127 | 101 Ų | 101 | 67% | 0.665 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68 | -40.2 | 173.8 | -164.3 | 72.6 | 0 | 0 | 0 | 111.5 | S443 E444 Y445 N449 R450 | S443-L447 PolarHBondContact O-N 2.93Å; E444-L447 WeakPolarHBondContact O-CB 3.48Å; E444-L447 PolarHBondContact O-N 2.9Å; E444-L447 VanDerWaalsContact O-N 3.12Å; Y445-L447 VanDerWaalsContact C-N 3.26Å; Y445-L447 PolarHBondContact O-N 3.02Å; L447-N449 VanDerWaalsContact C-N 3.25Å; L447-N449 PolarHBondContact O-N 3.5Å; L447-R450 PolarHBondContact O-N 3.3Å |
| 448 | Y | 57.9 | Low | 62.1 | Low | 193 Ų | 193 | 103.9 Ų | 103.9 | 76% | 0.757 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.6 | -27.3 | 174.5 | -73.5 | -69.7 | 0 | 0 | 0 | 113.3 | E444 Y445 | E444-Y448 HydrophobicContact CB-CE2 4.41Å; E444-Y448 WeakPolarHBondContact O-CD2 3.37Å; E444-Y448 PolarHBondContact O-N 3.09Å; Y445-Y448 PolarHBondContact O-N 2.93Å |
| 449 | N | 57.8 | Low | 60.2 | Low | 62 Ų | 62 | 107.3 Ų | 107.3 | 33% | 0.332 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.2 | -5.1 | 177.2 | -77.2 | -9.4 | 0 | 0 | 0 | 114.3 | Y445 N446 L447 P451 | Y445-N449 WeakPolarHBondContact CE1-ND2 3.49Å; Y445-N449 PolarHBondContact O-N 2.76Å; Y445-N449 PolarHBondContact OH-ND2 2.94Å; Y445-N449 VanDerWaalsContact OH-ND2 3.1Å; N446-N449 PolarHBondContact O-N 3.06Å; L447-N449 VanDerWaalsContact C-N 3.25Å; L447-N449 PolarHBondContact O-N 3.5Å; N449-P451 WeakPolarHBondContact O-CD 3.3Å |
| 450 | R | 53.9 | Low | 58.4 | Low | 170 Ų | 170 | 109.7 Ų | 109.7 | 64% | 0.642 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -69 | 124.8 | 176 | -155.9 | 176.8 | -166.6 | -176.8 | 1.8 | 107.3 | N446 L447 V452 | N446-R450 PolarHBondContact O-N 2.86Å; N446-R450 VanDerWaalsContact O-N 3.16Å; L447-R450 PolarHBondContact O-N 3.3Å; R450-V452 PolarHBondContact O-N 2.97Å; R450-V452 VanDerWaalsContact O-N 3.13Å |
| 451 | P | 51.5 | Low | 56.5 | Low | 105 Ų | 105 | 115.8 Ų | 115.8 | 68% | 0.682 | 61% | 0.607 | S | S | * | * | trans | -54.2 | 127 | 174.6 | 21 | -30.3 | 0 | 0 | 0 | 107.6 | N449 E453 | N449-P451 WeakPolarHBondContact O-CD 3.3Å; P451-E453 PolarHBondContact O-N 3.08Å | ||
| 452 | V | 53.3 | Low | 55 | Low | 126 Ų | 126 | 118.5 Ų | 118.5 | 76% | 0.764 | 62% | 0.622 | S | S | * | * | trans | -62.6 | 107.3 | 171.6 | 177.3 | 0 | 0 | 0 | 0 | 105.2 | R450 I454 | R450-V452 PolarHBondContact O-N 2.97Å; R450-V452 VanDerWaalsContact O-N 3.13Å; V452-I454 HydrophobicContact CG1-CG1 4.14Å; V452-I454 PolarHBondContact O-N 2.86Å | ||
| 453 | E | 50.9 | Low | 53.5 | Low | 158 Ų | 158 | 126 Ų | 126 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | trans | -63.6 | 92.9 | 166.3 | -70.2 | 172.5 | -167.4 | 0 | 0 | 105.9 | P451 N455 | P451-E453 PolarHBondContact O-N 3.08Å; E453-N455 PolarHBondContact O-N 2.95Å; E453-N455 VanDerWaalsContact O-N 3.09Å | ||
| 454 | I | 49.2 | Very low | 51.8 | Low | 125 Ų | 125 | 132.1 Ų | 132.1 | 64% | 0.641 | 68% | 0.678 | S | S | * | * | trans | -69.4 | 105.9 | 168.2 | -58.6 | 173.5 | 0 | 0 | 0 | 104 | V452 D456 | V452-I454 HydrophobicContact CG1-CG1 4.14Å; V452-I454 PolarHBondContact O-N 2.86Å; I454-D456 VanDerWaalsContact C-N 3.3Å; I454-D456 PolarHBondContact O-N 3.02Å | ||
| 455 | N | 42.5 | Very low | 50.2 | Low | 125 Ų | 125 | 136.1 Ų | 136.1 | 67% | 0.668 | 70% | 0.697 | S | S | * | * | trans | -62.8 | 100.1 | 165.4 | -94.8 | -17.8 | 0 | 0 | 0 | 106.7 | E453 N457 | E453-N455 PolarHBondContact O-N 2.95Å; E453-N455 VanDerWaalsContact O-N 3.09Å; N455-N457 PolarHBondContact O-N 3.22Å | ||
| 456 | D | 48.9 | Very low | 48.9 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | trans | -66.1 | 3 | 172.7 | -71.2 | -29.6 | 0 | 0 | 0 | 112.5 | I454 L458 A459 | I454-D456 VanDerWaalsContact C-N 3.3Å; I454-D456 PolarHBondContact O-N 3.02Å; D456-L458 PolarHBondContact O-N 3.28Å; D456-A459 PolarHBondContact O-N 2.99Å | ||
| 457 | N | 45.5 | Very low | 47.5 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 12.5 | 173.3 | -78.3 | 31.1 | 0 | 0 | 0 | 114.6 | N455 | N455-N457 PolarHBondContact O-N 3.22Š|
| 458 | L | 44.7 | Very low | 46.5 | Very low | 168 Ų | 168 | 147 Ų | 147 | 88% | 0.88 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 4.3 | 167.6 | -77.8 | 166.8 | 0 | 0 | 0 | 113.2 | D456 | D456-L458 PolarHBondContact O-N 3.28Š|
| 459 | A | 40 | Very low | 45.5 | Very low | 81 Ų | 81 | 143.3 Ų | 143.3 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | -78.1 | 118.7 | 151.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | D456 | D456-A459 PolarHBondContact O-N 2.99Š| ||
| 460 | S | 42.7 | Very low | 44.5 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | cis | -165.5 | 104.1 | 21.3 | 45 | 0 | 0 | 0 | 0 | 106 | D462 | S460-D462 VanDerWaalsContact C-N 3.28Š| ||
| 461 | E | 40.8 | Very low | 44 | Very low | 196 Ų | 196 | 146.5 Ų | 146.5 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -101.8 | 49 | 159.4 | -69.3 | -171.8 | 175.4 | 0 | 0 | 107.9 | ||||
| 462 | D | 44.6 | Very low | 43.4 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -109.3 | 98.8 | 169.8 | -83.8 | -22.3 | 0 | 0 | 0 | 107.5 | S460 | S460-D462 VanDerWaalsContact C-N 3.28Š| ||
| 463 | E | 47.8 | Very low | 42.6 | Very low | 175 Ų | 175 | 152.7 Ų | 152.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 56.7 | 110.9 | 136.6 | -54.1 | -166.1 | 167.7 | 0 | 0 | 117.5 | E465 | E463-E465 PolarHBondContact O-N 2.98Å; E463-E465 VanDerWaalsContact O-N 3.15Å | ||
| 464 | E | 41.7 | Very low | 42 | Very low | 195 Ų | 195 | 151.7 Ų | 151.7 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -42 | 117.7 | 165.3 | -58.9 | -167.1 | 164.7 | 0 | 0 | 110.5 | E466 | E464-E466 PolarHBondContact O-N 3.15Š| ||
| 465 | E | 40.1 | Very low | 41.2 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -56.6 | 100.6 | 172.2 | -64.7 | 177.6 | 156.5 | 0 | 0 | 108.8 | E463 E467 | E463-E465 PolarHBondContact O-N 2.98Å; E463-E465 VanDerWaalsContact O-N 3.15Å; E465-E467 PolarHBondContact O-N 2.84Å; E465-E467 VanDerWaalsContact O-N 3.09Å | ||
| 466 | E | 41.9 | Very low | 41.1 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -68.1 | 106.5 | 161.2 | -74.9 | -132.6 | 165.6 | 0 | 0 | 107.8 | E464 S468 | E464-E466 PolarHBondContact O-N 3.15Å; E466-S468 PolarHBondContact O-N 3.09Å | ||
| 467 | E | 38.8 | Very low | 40.6 | Very low | 197 Ų | 197 | 148 Ų | 148 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -44.3 | 90.8 | 170.4 | -77.3 | 172.3 | 133.2 | 0 | 0 | 111.5 | E465 S469 | E465-E467 PolarHBondContact O-N 2.84Å; E465-E467 VanDerWaalsContact O-N 3.09Å; E467-S469 PolarHBondContact O-N 3.24Å | ||
| 468 | S | 41.6 | Very low | 40 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | -83.2 | 105.5 | 164.6 | 76.6 | 0 | 0 | 0 | 0 | 108.2 | E466 D470 | E466-S468 PolarHBondContact O-N 3.09Å; S468-D470 PolarHBondContact O-N 3.26Å | ||
| 469 | S | 37.5 | Very low | 39.6 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -31.2 | 114.3 | 173.6 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | E467 | E467-S469 PolarHBondContact O-N 3.24Š| ||
| 470 | D | 35.8 | Very low | 39.2 | Very low | 148 Ų | 148 | 156.8 Ų | 156.8 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | trans | -56.8 | 167.6 | 160.6 | -82 | -47.5 | 0 | 0 | 0 | 112.8 | S468 | S468-D470 PolarHBondContact O-N 3.26Š| ||
| 471 | D | 44.6 | Very low | 38.8 | Very low | 151 Ų | 151 | 167.4 Ų | 167.4 | 81% | 0.807 | 85% | 0.854 | S | S | * | * | trans | 93.6 | 66.3 | 161.7 | -63 | -27.3 | 0 | 0 | 0 | 117.6 | ||||
| 472 | E | 38.4 | Very low | 38.7 | Very low | 189 Ų | 189 | 166 Ų | 166 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -154.9 | 107.5 | 134.2 | -116.5 | 173.5 | -170 | 0 | 0 | 113 | ||
| 473 | Q | 36.5 | Very low | 38.4 | Very low | 172 Ų | 172 | 167.1 Ų | 167.1 | 80% | 0.804 | 86% | 0.855 | S | S | * | * | trans | 126.2 | 106.4 | 142.7 | -62.5 | -149.8 | -24.6 | 0 | 0 | 115.4 | G475 | Q473-G475 PolarHBondContact O-N 3.33Š| ||
| 474 | P | 38.2 | Very low | 37.9 | Very low | 138 Ų | 138 | 166.7 Ų | 166.7 | 90% | 0.896 | 86% | 0.858 | S | S | * | * | trans | -76.5 | 92.1 | 169.4 | 31.7 | -29.4 | 0 | 0 | 0 | 109.3 | ||||
| 475 | G | 33.3 | Very low | 37.7 | Very low | 64 Ų | 64 | 165 Ų | 165 | 66% | 0.66 | 85% | 0.854 | S | S | * | * | trans | -78.8 | 138.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q473 | Q473-G475 PolarHBondContact O-N 3.33Š| ||
| 476 | P | 39.4 | Very low | 37.5 | Very low | 126 Ų | 126 | 163.4 Ų | 163.4 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | trans | -77.7 | 144.5 | -152.1 | 30.2 | -34.7 | 0 | 0 | 0 | 114.3 | R478 | P476-R478 PolarHBondContact O-N 3.03Š| ||
| 477 | S | 39.1 | Very low | 37.2 | Very low | 113 Ų | 113 | 161.7 Ų | 161.7 | 79% | 0.79 | 85% | 0.85 | S | S | * | * | trans | -45.3 | 114.3 | 166.3 | 40.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 478 | R | 31.6 | Very low | 37.1 | Very low | 247 Ų | 247 | 159.1 Ų | 159.1 | 93% | 0.932 | 85% | 0.845 | S | S | * | * | 37.5 | 92.6 | 123.3 | -155 | -177.4 | -161.7 | -164.9 | 6.5 | 115.9 | P476 | P476-R478 PolarHBondContact O-N 3.03Š| |||
| 479 | A | 36.3 | Very low | 36.8 | Very low | 90 Ų | 90 | 163.1 Ų | 163.1 | 74% | 0.744 | 85% | 0.852 | S | S | * | * | trans | -158.2 | 120.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 480 | R | 31.8 | Very low | 36.7 | Very low | 241 Ų | 241 | 167 Ų | 167 | 91% | 0.909 | 86% | 0.855 | S | S | * | * | trans | 55.7 | 105.1 | 146 | -73.6 | 177.2 | 163.3 | -174.7 | -4.1 | 118.8 | ||||
| 481 | R | 35.4 | Very low | 36.8 | Very low | 325 Ų | 325 | 168.7 Ų | 168.7 | 100% | 1.226 | 86% | 0.861 | S | S | * | * | -174.9 | 0 | 97.2 | -102.5 | 178.5 | -179.4 | 177.6 | 1.2 | 111.7 |
Retrieved 481 of 481 residues in 134.1 ms
(Link to these results)