| 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 | 35.1 | Very low | 39.7 | Very low | 249 Ų | 249 | 137 Ų | 137 | 100% | 1.227 | 72% | 0.718 | S | S | * | * | 0 | 112.3 | 0 | -75.1 | 165.3 | 138.7 | 0 | 0 | 108.2 | |||||
| 2 | T | 35.3 | Very low | 40.2 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 80% | 0.798 | 71% | 0.71 | S | S | * | * | trans | -79.8 | 125.4 | 172.7 | 27 | 0 | 0 | 0 | 0 | 109.4 | I4 | T2-I4 PolarHBondContact O-N 3.36Å; T2-I4 VanDerWaalsContact O-N 3.07Å | ||
| 3 | N | 34.4 | Very low | 40.4 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 86% | 0.856 | 69% | 0.686 | S | S | * | * | trans | -77 | 94.3 | 175.9 | -171.6 | -31.9 | 0 | 0 | 0 | 108.8 | S5 | N3-S5 PolarHBondContact O-N 3.49Š| ||
| 4 | I | 41.2 | Very low | 40.4 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | -73.7 | 109.6 | 176.7 | -60.5 | 175.2 | 0 | 0 | 0 | 107.9 | T2 T6 | T2-I4 PolarHBondContact O-N 3.36Å; T2-I4 VanDerWaalsContact O-N 3.07Å; I4-T6 PolarHBondContact O-N 2.87Å; I4-T6 VanDerWaalsContact O-N 3.07Å | ||
| 5 | S | 34.7 | Very low | 40.7 | Very low | 60 Ų | 60 | 127.2 Ų | 127.2 | 42% | 0.42 | 66% | 0.659 | S | S | . | * | trans | -58.9 | 112.5 | 174 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | N3 R7 S8 | N3-S5 PolarHBondContact O-N 3.49Å; S5-R7 PolarHBondContact O-N 3.24Å; S5-S8 PolarHBondContact O-N 3.44Å; S5-S8 PolarHBondContact O-OG 3.48Å | ||
| 6 | T | 43.2 | Very low | 40.6 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 89% | 0.89 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 12.1 | 178.4 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | I4 | I4-T6 PolarHBondContact O-N 2.87Å; I4-T6 VanDerWaalsContact O-N 3.07Å |
| 7 | R | 40 | Very low | 40.6 | Very low | 233 Ų | 233 | 132.5 Ų | 132.5 | 88% | 0.879 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -10.8 | 179.7 | -64.4 | -173.3 | 176.1 | -170.6 | 2.2 | 114.3 | S5 | S5-R7 PolarHBondContact O-N 3.24Š|
| 8 | S | 39.6 | Very low | 40.8 | Very low | 41 Ų | 41 | 135.6 Ų | 135.6 | 29% | 0.287 | 67% | 0.671 | S | S | . | * | trans | -102.2 | 112.8 | 174.5 | 49.8 | 0 | 0 | 0 | 0 | 110 | S5 P10 | S5-S8 PolarHBondContact O-N 3.44Å; S5-S8 PolarHBondContact O-OG 3.48Å; S8-P10 WeakPolarHBondContact O-CD 3.45Å | ||
| 9 | V | 43.1 | Very low | 40.5 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | trans | -70.9 | 115.8 | 167.3 | 179.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 10 | P | 43.7 | Very low | 40.1 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 52% | 0.519 | 67% | 0.669 | S | S | . | * | trans | -65.4 | 139.1 | 173 | 29.3 | -33.4 | 0 | 0 | 0 | 108.8 | S8 | S8-P10 WeakPolarHBondContact O-CD 3.45Š| ||
| 11 | R | 46.2 | Very low | 39.8 | Very low | 150 Ų | 150 | 136 Ų | 136 | 57% | 0.566 | 67% | 0.674 | S | S | * | * | trans | -69.7 | 153.8 | 174.3 | -75.3 | -168.7 | 166.8 | -164.9 | -7.4 | 111.5 | E13 Y14 | R11-E13 HydrophobicContact CB-CG 4.03Å; R11-E13 VanDerWaalsContact CB-OE2 3.31Å; R11-E13 WeakPolarHBondContact CB-OE2 3.36Å; R11-E13 WeakPolarHBondContact CD-OE1 3.12Å; R11-E13 WeakPolarHBondContact CD-OE2 3.3Å; R11-E13 IonicContact CZ-OE1 3.6Å; R11-E13 IonicContact NE-OE1 2.83Å; R11-E13 IonicContact NH1-OE1 2.86Å; R11-E13 PolarHBondContact NH1-OE1 2.78Å; R11-E13 PolarHBondContact O-N 3.26Å; R11-Y14 HydrophobicContact CB-CD2 3.93Å; R11-Y14 HydrophobicContact CB-CE2 4.12Å; R11-Y14 PolarHBondContact O-N 3.3Å | ||
| 12 | P | 45.6 | Very low | 39.7 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 62% | 0.623 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -53.3 | -37.7 | 178.8 | -27 | 36.1 | 0 | 0 | 0 | 114 | Y14 L15 | P12-Y14 PolarHBondContact O-N 2.65Å; P12-L15 PolarHBondContact O-N 2.66Å |
| 13 | E | 43.3 | Very low | 39.4 | Very low | 86 Ų | 86 | 127.4 Ų | 127.4 | 40% | 0.402 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -59.6 | -10 | 177.3 | 62.3 | -112.7 | -140 | 0 | 0 | 115.1 | R11 | R11-E13 HydrophobicContact CB-CG 4.03Å; R11-E13 VanDerWaalsContact CB-OE2 3.31Å; R11-E13 WeakPolarHBondContact CB-OE2 3.36Å; R11-E13 WeakPolarHBondContact CD-OE1 3.12Å; R11-E13 WeakPolarHBondContact CD-OE2 3.3Å; R11-E13 IonicContact CZ-OE1 3.6Å; R11-E13 IonicContact NE-OE1 2.83Å; R11-E13 IonicContact NH1-OE1 2.86Å; R11-E13 PolarHBondContact NH1-OE1 2.78Å; R11-E13 PolarHBondContact O-N 3.26Å |
| 14 | Y | 40.7 | Very low | 39.1 | Very low | 142 Ų | 142 | 125.2 Ų | 125.2 | 56% | 0.557 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -103.1 | -9.3 | 173.6 | -58.1 | -65.7 | 0 | 0 | 0 | 114 | R11 P12 Y18 | R11-Y14 HydrophobicContact CB-CD2 3.93Å; R11-Y14 HydrophobicContact CB-CE2 4.12Å; R11-Y14 PolarHBondContact O-N 3.3Å; P12-Y14 PolarHBondContact O-N 2.65Å; Y14-Y18 WeakPolarHBondContact O-CD2 3.33Å |
| 15 | L | 44.4 | Very low | 38.4 | Very low | 77 Ų | 77 | 125.3 Ų | 125.3 | 40% | 0.403 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | -28.6 | 178.9 | -71.7 | 170 | 0 | 0 | 0 | 112.5 | P12 Y17 Y18 F19 | P12-L15 PolarHBondContact O-N 2.66Å; L15-Y17 PolarHBondContact O-N 3.35Å; L15-Y17 VanDerWaalsContact O-N 3.16Å; L15-Y18 PolarHBondContact O-N 2.9Å; L15-F19 HydrophobicContact CD2-CE2 4.3Å; L15-F19 WeakPolarHBondContact O-CD2 3.34Å; L15-F19 PolarHBondContact O-N 3.16Å |
| 16 | E | 39.3 | Very low | 38.1 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 68% | 0.682 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -31.8 | 176.3 | -66.8 | 177.1 | 175.6 | 0 | 0 | 112.7 | Y18 | E16-Y18 VanDerWaalsContact C-N 3.29Å; E16-Y18 PolarHBondContact O-N 3.29Å |
| 17 | Y | 41.1 | Very low | 37.5 | Very low | 199 Ų | 199 | 129 Ų | 129 | 78% | 0.78 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -16.2 | 175 | -84.6 | -81.8 | 0 | 0 | 0 | 114.6 | L15 | L15-Y17 PolarHBondContact O-N 3.35Å; L15-Y17 VanDerWaalsContact O-N 3.16Å |
| 18 | Y | 43.1 | Very low | 37 | Very low | 187 Ų | 187 | 129.3 Ų | 129.3 | 73% | 0.733 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -22.1 | 179.9 | -75.5 | -83.4 | 0 | 0 | 0 | 113.9 | Y14 L15 E16 | Y14-Y18 WeakPolarHBondContact O-CD2 3.33Å; L15-Y18 PolarHBondContact O-N 2.9Å; E16-Y18 VanDerWaalsContact C-N 3.29Å; E16-Y18 PolarHBondContact O-N 3.29Å |
| 19 | F | 36 | Very low | 36.5 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 62% | 0.623 | 69% | 0.692 | S | S | * | * | trans | -106.6 | 35.6 | -172.1 | -75.1 | -83.4 | 0 | 0 | 0 | 114.7 | L15 L21 | L15-F19 HydrophobicContact CD2-CE2 4.3Å; L15-F19 WeakPolarHBondContact O-CD2 3.34Å; L15-F19 PolarHBondContact O-N 3.16Å; F19-L21 VanDerWaalsContact C-N 3.28Å; F19-L21 HydrophobicContact CD1-CD1 3.93Å; F19-L21 PolarHBondContact O-N 3.15Å | ||
| 20 | N | 31.5 | Very low | 36 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | trans | -77.9 | 76.6 | 166.6 | -92.7 | -67.5 | 0 | 0 | 0 | 111.2 | S22 | N20-S22 VanDerWaalsContact C-N 3.31Š| ||
| 21 | L | 34.7 | Very low | 35.5 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | trans | -79.5 | -5.8 | 177.6 | -85.4 | 134.2 | 0 | 0 | 0 | 114.3 | F19 A23 | F19-L21 VanDerWaalsContact C-N 3.28Å; F19-L21 HydrophobicContact CD1-CD1 3.93Å; F19-L21 PolarHBondContact O-N 3.15Å; L21-A23 PolarHBondContact O-N 3.17Å | ||
| 22 | S | 32.7 | Very low | 34.8 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | -88.4 | 17.8 | -169.5 | -45.6 | 0 | 0 | 0 | 0 | 115.7 | N20 | N20-S22 VanDerWaalsContact C-N 3.31Š| ||
| 23 | A | 29 | Very low | 34.5 | Very low | 83 Ų | 83 | 143 Ų | 143 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | trans | -118 | 108.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L21 | L21-A23 PolarHBondContact O-N 3.17Š| ||
| 24 | P | 28.1 | Very low | 33.8 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -71.2 | 134 | 176.1 | 29.1 | -33.6 | 0 | 0 | 0 | 111.6 | A26 | P24-A26 PolarHBondContact O-N 2.87Š| ||
| 25 | S | 27 | Very low | 33.5 | Very low | 126 Ų | 126 | 145 Ų | 145 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 32.1 | 78.1 | 157.2 | 64.1 | 0 | 0 | 0 | 0 | 117.4 | ||
| 26 | A | 28.7 | Very low | 33.2 | Very low | 80 Ų | 80 | 150.4 Ų | 150.4 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -136.4 | 120.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P24 R28 | P24-A26 PolarHBondContact O-N 2.87Å; A26-R28 PolarHBondContact O-N 2.92Å | ||
| 27 | H | 29.5 | Very low | 33.1 | Very low | 204 Ų | 204 | 152.8 Ų | 152.8 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | -58.2 | 95.9 | 173.6 | -68.8 | -83.9 | 0 | 0 | 0 | 110.8 | ||||
| 28 | R | 29.3 | Very low | 33 | Very low | 238 Ų | 238 | 149 Ų | 149 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -92.5 | 109.6 | 172.4 | -84.4 | -168.3 | 170.2 | -173.6 | -0 | 111.1 | A26 Q30 | A26-R28 PolarHBondContact O-N 2.92Å; R28-Q30 PolarHBondContact O-N 2.96Å | ||
| 29 | T | 30.2 | Very low | 32.7 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -54.4 | 122.4 | -179.4 | -30.9 | 0 | 0 | 0 | 0 | 111.6 | A31 | T29-A31 HydrophobicContact CG2-CB 4Å; T29-A31 PolarHBondContact O-N 3Å | ||
| 30 | Q | 32.6 | Very low | 33.3 | Very low | 209 Ų | 209 | 141.8 Ų | 141.8 | 98% | 0.977 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -78.2 | 41.7 | -172.7 | -156.3 | 175.5 | 29.6 | 0 | 0 | 113.1 | R28 | R28-Q30 PolarHBondContact O-N 2.96Š|
| 31 | A | 32.2 | Very low | 33.7 | Very low | 72 Ų | 72 | 141.3 Ų | 141.3 | 60% | 0.595 | 78% | 0.776 | S | S | * | * | trans | -125 | 12.4 | -156.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | T29 | T29-A31 HydrophobicContact CG2-CB 4Å; T29-A31 PolarHBondContact O-N 3Å | ||
| 32 | F | 32.4 | Very low | 34.2 | Very low | 202 Ų | 202 | 142.2 Ų | 142.2 | 89% | 0.886 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -129.4 | 18.7 | -171.4 | -116.1 | -82.7 | 0 | 0 | 0 | 116.5 | ||
| 33 | L | 37.7 | Very low | 34.2 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | trans | -125.5 | 66.1 | 178 | -67.4 | 175.6 | 0 | 0 | 0 | 112.1 | ||||
| 34 | S | 29.2 | Very low | 34.4 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -104.5 | 149.7 | 162.7 | -65.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 35 | D | 35.2 | Very low | 34.7 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 63.5 | 37.3 | 163.2 | -60.2 | -5.1 | 0 | 0 | 0 | 119.2 | ||
| 36 | K | 37 | Very low | 35 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | trans | -117.7 | 97.9 | 152.1 | -77.8 | -170.8 | 177 | -179.6 | 0 | 111.2 | V38 | K36-V38 PolarHBondContact O-N 3.41Å; K36-V38 VanDerWaalsContact O-N 3.07Å | ||
| 37 | E | 37 | Very low | 35.1 | Very low | 196 Ų | 196 | 145.1 Ų | 145.1 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -69.8 | 95.2 | 169.9 | -170.8 | 174 | -158.7 | 0 | 0 | 109.3 | N39 | E37-N39 PolarHBondContact O-N 3.21Š| ||
| 38 | V | 39.7 | Very low | 35.5 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -78 | 101.5 | -178.7 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | K36 T40 | K36-V38 PolarHBondContact O-N 3.41Å; K36-V38 VanDerWaalsContact O-N 3.07Å; V38-T40 PolarHBondContact O-N 3.33Å | ||
| 39 | N | 37.7 | Very low | 35.8 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 48% | 0.481 | 76% | 0.756 | S | S | . | * | trans | -67.6 | 117.2 | 175 | -179.8 | 9 | 0 | 0 | 0 | 111 | E37 N41 | E37-N39 PolarHBondContact O-N 3.21Å; N39-N41 WeakPolarHBondContact OD1-CB 3.34Å; N39-N41 PolarHBondContact OD1-N 2.82Å | ||
| 40 | T | 48 | Very low | 35.7 | Very low | 86 Ų | 86 | 143.6 Ų | 143.6 | 53% | 0.528 | 76% | 0.757 | S | S | . | * | trans | -91.5 | 7.9 | -179.2 | 47.4 | 0 | 0 | 0 | 0 | 114.4 | V38 | V38-T40 PolarHBondContact O-N 3.33Š| ||
| 41 | N | 40.4 | Very low | 35.7 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 64% | 0.642 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -96.7 | 131 | 175 | -74.8 | -59.4 | 0 | 0 | 0 | 112.3 | N39 A43 | N39-N41 WeakPolarHBondContact OD1-CB 3.34Å; N39-N41 PolarHBondContact OD1-N 2.82Å; N41-A43 PolarHBondContact O-N 2.72Å |
| 42 | N | 43.9 | Very low | 35.6 | Very low | 165 Ų | 165 | 144 Ų | 144 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | trans | -69.8 | 37 | 178.7 | -65.8 | -13.2 | 0 | 0 | 0 | 114.8 | ||||
| 43 | A | 33.5 | Very low | 35.4 | Very low | 59 Ų | 59 | 143.6 Ų | 143.6 | 49% | 0.488 | 75% | 0.754 | S | S | . | * | S | Bend | trans | -105 | 132.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | N41 V45 | N41-A43 PolarHBondContact O-N 2.72Å; A43-V45 VanDerWaalsContact C-N 3.34Å; A43-V45 PolarHBondContact O-N 2.91Å |
| 44 | P | 33.7 | Very low | 35.1 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -70.5 | 91.3 | 173.3 | 29.5 | -33.4 | 0 | 0 | 0 | 109.6 | F46 | P44-F46 PolarHBondContact O-N 3.4Š| ||
| 45 | V | 34.7 | Very low | 35.1 | Very low | 96 Ų | 96 | 140 Ų | 140 | 58% | 0.582 | 75% | 0.745 | S | S | * | * | trans | -80.7 | 108.7 | 172.1 | -176.7 | 0 | 0 | 0 | 0 | 108 | A43 C47 | A43-V45 VanDerWaalsContact C-N 3.34Å; A43-V45 PolarHBondContact O-N 2.91Å; V45-C47 PolarHBondContact O-N 2.86Å; V45-C47 VanDerWaalsContact O-N 3.1Å | ||
| 46 | F | 32.2 | Very low | 34.9 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | trans | -67 | 106.3 | 170.8 | -69.9 | -88.1 | 0 | 0 | 0 | 109.5 | P44 L48 | P44-F46 PolarHBondContact O-N 3.4Å; F46-L48 PolarHBondContact O-N 3.23Å | ||
| 47 | C | 31.8 | Very low | 34.6 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | -69.8 | 97.7 | 169.6 | -69.6 | 0 | 0 | 0 | 0 | 109.8 | V45 E49 | V45-C47 PolarHBondContact O-N 2.86Å; V45-C47 VanDerWaalsContact O-N 3.1Å; C47-E49 PolarHBondContact O-N 3.31Å | ||
| 48 | L | 36.7 | Very low | 34.3 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 90% | 0.895 | 74% | 0.735 | S | S | * | * | trans | -79.3 | 108.6 | 169 | -143.5 | 87.9 | 0 | 0 | 0 | 108.8 | F46 | F46-L48 PolarHBondContact O-N 3.23Š| ||
| 49 | E | 36.5 | Very low | 34.2 | Very low | 155 Ų | 155 | 137 Ų | 137 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | -65.7 | 136.6 | 178.2 | -84.6 | -161 | 110.3 | 0 | 0 | 112.8 | C47 | C47-E49 PolarHBondContact O-N 3.31Š| ||
| 50 | R | 28.6 | Very low | 33.8 | Very low | 208 Ų | 208 | 139.7 Ų | 139.7 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 18.3 | 117.3 | 154.5 | -60 | 179.9 | -175.2 | 129.1 | -5.5 | 118 | ||||
| 51 | K | 31.2 | Very low | 33.2 | Very low | 198 Ų | 198 | 140.8 Ų | 140.8 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | -168.6 | 126 | 115.3 | -104.9 | 154.7 | -174.2 | 174.3 | 0 | 114.4 | |||||
| 52 | S | 29.9 | Very low | 32.8 | Very low | 92 Ų | 92 | 142.5 Ų | 142.5 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | 49.9 | 120.1 | 143.9 | 56.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 53 | H | 28.2 | Very low | 32.4 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 89% | 0.889 | 76% | 0.759 | S | S | * | * | trans | 41.6 | 105.6 | 134.7 | -48.6 | -67.5 | 0 | 0 | 0 | 120 | ||||
| 54 | S | 31.6 | Very low | 32.6 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | -165.9 | 142.9 | 127.1 | -168 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 55 | S | 30.1 | Very low | 32.6 | Very low | 95 Ų | 95 | 151.7 Ų | 151.7 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | -82 | 149.4 | 166.8 | 53.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 56 | R | 29.8 | Very low | 32.8 | Very low | 218 Ų | 218 | 153 Ų | 153 | 82% | 0.823 | 79% | 0.787 | S | S | * | * | 165.8 | 129.2 | 128.8 | -90.1 | 161.2 | -170 | -132.8 | 1.3 | 114.3 | |||||
| 57 | L | 31.8 | Very low | 32.5 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | 67.8 | 114.9 | 136.7 | -58.3 | 168.9 | 0 | 0 | 0 | 120.1 | ||||
| 58 | S | 30.7 | Very low | 32.6 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -78.6 | 146.5 | 160.3 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 59 | P | 37.9 | Very low | 32.2 | Very low | 124 Ų | 124 | 145 Ų | 145 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | -105.8 | 111.4 | 158.4 | 33 | -22.6 | 0 | 0 | 0 | 111.5 | ||||
| 60 | E | 28.6 | Very low | 32.2 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -72.9 | 133.7 | 168.5 | -173.1 | -179.8 | 154.9 | 0 | 0 | 110.3 | K62 | E60-K62 WeakPolarHBondContact OE1-CE 3.33Å; E60-K62 IonicContact OE1-NZ 2.6Å; E60-K62 PolarHBondContact OE1-NZ 2.69Å | ||
| 61 | S | 35.1 | Very low | 32.3 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -142.1 | 110.2 | 170.3 | -156.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 62 | K | 32.3 | Very low | 32.5 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -92.4 | 128.3 | 178.6 | -69.7 | 158 | 167.4 | 151.3 | 0 | 110.5 | E60 | E60-K62 WeakPolarHBondContact OE1-CE 3.33Å; E60-K62 IonicContact OE1-NZ 2.6Å; E60-K62 PolarHBondContact OE1-NZ 2.69Å | ||
| 63 | R | 36.1 | Very low | 32.6 | Very low | 226 Ų | 226 | 136.7 Ų | 136.7 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -147.6 | 93.2 | 154.6 | -60.9 | -171.6 | -166.8 | -173.1 | 5 | 106.3 | ||||
| 64 | V | 37.6 | Very low | 32.8 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | 53.6 | 89.3 | 72.5 | -169.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 65 | H | 32.6 | Very low | 32.9 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 132.8 | 158.2 | -77.6 | -90.2 | 0 | 0 | 0 | 109 | ||
| 66 | P | 38.7 | Very low | 33.1 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 138 | 165.7 | 0.8 | 18.2 | 0 | 0 | 0 | 111.1 | ||
| 67 | C | 26.5 | Very low | 33 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 156.9 | 176.5 | -71.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 68 | S | 33.3 | Very low | 32.9 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | 59.3 | 101.8 | 139.5 | 61.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 69 | G | 29.1 | Very low | 33 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | 73.9 | 178.7 | 128.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 70 | P | 37.4 | Very low | 32.7 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -135.7 | -171.1 | -26.2 | 39.5 | -22.2 | 0 | 0 | 0 | 113.8 | ||||
| 71 | S | 30.4 | Very low | 33 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | 80.1 | 136.5 | 157.2 | -53.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 72 | G | 35.4 | Very low | 33 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 156.8 | 89.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 73 | D | 31.3 | Very low | 33.1 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | -57.8 | 147.9 | -179 | -57.8 | -71.5 | 0 | 0 | 0 | 115.1 | ||||
| 74 | R | 32.5 | Very low | 33.3 | Very low | 221 Ų | 221 | 132.3 Ų | 132.3 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | 174.9 | 127 | 110.8 | -94.8 | 174.9 | 172.3 | -158.5 | -2.7 | 115.7 | |||||
| 75 | L | 34.3 | Very low | 33.2 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | trans | 67.5 | 108.6 | 130.4 | -65 | 169.2 | 0 | 0 | 0 | 122.3 | ||||
| 76 | T | 34.1 | Very low | 33 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | 54.3 | 106.6 | 126.6 | 59.4 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 77 | N | 27.6 | Very low | 32.9 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | 68.1 | 140.6 | 114.5 | -154.1 | 19 | 0 | 0 | 0 | 121.9 | |||||
| 78 | S | 29.3 | Very low | 33.2 | Very low | 86 Ų | 86 | 137.4 Ų | 137.4 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | trans | 89.1 | 120.5 | 155.8 | 79.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 79 | N | 33.3 | Very low | 33 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | 78.1 | 109.7 | 132.4 | -63.2 | -4.9 | 0 | 0 | 0 | 122.8 | ||||
| 80 | N | 30.3 | Very low | 33.3 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | 84.6 | 156.8 | 125.7 | -61.3 | -17.1 | 0 | 0 | 0 | 121.6 | |||||
| 81 | L | 35.9 | Very low | 33.3 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | 79 | 140.1 | 169.9 | -50.4 | 174.8 | 0 | 0 | 0 | 114.4 | ||||
| 82 | L | 35.6 | Very low | 33.4 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | cis | -158.9 | 142.3 | 11.9 | -163.1 | 70 | 0 | 0 | 0 | 111.4 | ||||
| 83 | N | 34.1 | Very low | 33.5 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 36 | 151.2 | 151.9 | -52.7 | -12.7 | 0 | 0 | 0 | 120.9 | ||||
| 84 | I | 39.5 | Very low | 33.5 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | -162.9 | 109.6 | 51.3 | -71.7 | 171.5 | 0 | 0 | 0 | 106 | |||||
| 85 | L | 35.4 | Very low | 33.7 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | 106 | 143.1 | 95.1 | -159.1 | 72.2 | 0 | 0 | 0 | 113.6 | |||||
| 86 | W | 28.7 | Very low | 33.5 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -110.1 | -164.4 | -166.3 | -99.4 | 34.6 | 0 | 0 | 0 | 111.4 | R88 | W86-R88 HydrophobicContact CE3-CB 4.09Å; W86-R88 HydrophobicContact CZ3-CB 4.3Å; W86-R88 HydrophobicContact CZ3-CG 4.41Å | ||
| 87 | P | 37.9 | Very low | 33.5 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -130.6 | 171.8 | 2.7 | 44.5 | -27.3 | 0 | 0 | 0 | 114.1 | ||||
| 88 | R | 30.8 | Very low | 33.7 | Very low | 184 Ų | 184 | 145.8 Ų | 145.8 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | cis | 65.2 | 114.2 | 44.9 | -130.5 | -170.4 | -178.5 | -170.3 | 5.6 | 113.7 | W86 | W86-R88 HydrophobicContact CE3-CB 4.09Å; W86-R88 HydrophobicContact CZ3-CB 4.3Å; W86-R88 HydrophobicContact CZ3-CG 4.41Å | ||
| 89 | T | 30.5 | Very low | 33.8 | Very low | 119 Ų | 119 | 149 Ų | 149 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | 176.8 | 167.2 | 77.7 | 25.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 90 | S | 35.4 | Very low | 33.7 | Very low | 102 Ų | 102 | 154.1 Ų | 154.1 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | 80.2 | 143 | 165.4 | -72 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 91 | D | 36.6 | Very low | 33.6 | Very low | 142 Ų | 142 | 155.1 Ų | 155.1 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | cis | -157 | -164 | -12.7 | -129.8 | -71.8 | 0 | 0 | 0 | 116 | ||||
| 92 | R | 33.2 | Very low | 33.5 | Very low | 216 Ų | 216 | 153.1 Ų | 153.1 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -95 | -178.5 | -175.3 | -89.7 | 178.7 | 143.9 | -155.8 | -7 | 115.3 | ||||
| 93 | P | 36.8 | Very low | 33.4 | Very low | 91 Ų | 91 | 152.4 Ų | 152.4 | 59% | 0.591 | 79% | 0.786 | S | S | * | * | cis | -140.2 | -172.8 | -39.3 | 40.3 | -22.1 | 0 | 0 | 0 | 114.2 | ||||
| 94 | E | 32.1 | Very low | 33.7 | Very low | 170 Ų | 170 | 151.9 Ų | 151.9 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 49 | 120.7 | 146.8 | -74.9 | 163.1 | 177.5 | 0 | 0 | 122.2 | ||||
| 95 | F | 35.6 | Very low | 33.4 | Very low | 220 Ų | 220 | 149.5 Ų | 149.5 | 97% | 0.965 | 79% | 0.787 | S | S | * | * | -163.8 | 141.2 | 128 | -106.6 | -70.3 | 0 | 0 | 0 | 111.5 | |||||
| 96 | E | 30.4 | Very low | 33.3 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -88 | 137.7 | 177.9 | -59.2 | 173.9 | 119.4 | 0 | 0 | 112.4 | ||||
| 97 | A | 33.8 | Very low | 33.5 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -172.6 | 108 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 98 | V | 32.7 | Very low | 33.5 | Very low | 130 Ų | 130 | 149 Ų | 149 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | 76 | 107.5 | 93.2 | 169.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 99 | L | 31.6 | Very low | 33.8 | Very low | 154 Ų | 154 | 148 Ų | 148 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | 33.9 | 121.3 | 155.3 | -69.6 | 93 | 0 | 0 | 0 | 120.1 | ||||
| 100 | R | 31.1 | Very low | 34.1 | Very low | 240 Ų | 240 | 146.7 Ų | 146.7 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | -175.1 | 152.2 | 103.3 | -100.9 | 176 | -174.5 | -138.3 | 0.8 | 114.1 | |||||
| 101 | N | 27.5 | Very low | 34.2 | Very low | 157 Ų | 157 | 148 Ų | 148 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -47 | 139.2 | 175.9 | -51.2 | -12.7 | 0 | 0 | 0 | 113.6 | ||||
| 102 | S | 33.7 | Very low | 34.3 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -159.5 | 106.9 | 157 | -76.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 103 | S | 33.6 | Very low | 34.6 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -66.4 | 146.1 | 166.2 | -60 | 0 | 0 | 0 | 0 | 109.9 | S105 | S103-S105 PolarHBondContact O-N 2.94Š| ||
| 104 | P | 41.4 | Very low | 34.5 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -72.8 | 100.5 | 179.4 | 29.1 | -33.6 | 0 | 0 | 0 | 110.9 | L106 | P104-L106 PolarHBondContact O-N 2.82Š| ||
| 105 | S | 32.4 | Very low | 34.7 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -66.2 | 125 | 170.6 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | S103 S107 | S103-S105 PolarHBondContact O-N 2.94Å; S105-S107 VanDerWaalsContact C-N 3.31Å; S105-S107 PolarHBondContact O-N 3.44Å | ||
| 106 | L | 33.2 | Very low | 34.8 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -75.5 | 75.2 | 179.2 | -73 | 171.1 | 0 | 0 | 0 | 112.3 | P104 F108 | P104-L106 PolarHBondContact O-N 2.82Å; L106-F108 PolarHBondContact O-N 3.23Å | ||
| 107 | S | 33.6 | Very low | 35 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -88.9 | 76.7 | 171.3 | 60.4 | 0 | 0 | 0 | 0 | 111.5 | S105 | S105-S107 VanDerWaalsContact C-N 3.31Å; S105-S107 PolarHBondContact O-N 3.44Å | ||
| 108 | F | 37.4 | Very low | 35.3 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -108.7 | 52.9 | 170 | -85.1 | -77.6 | 0 | 0 | 0 | 112.2 | L106 S110 | L106-F108 PolarHBondContact O-N 3.23Å; F108-S110 PolarHBondContact O-N 3.39Å | ||
| 109 | L | 37.2 | Very low | 35.5 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -84.2 | 97.7 | 160.9 | -98.5 | 157 | 0 | 0 | 0 | 108.4 | T111 | L109-T111 VanDerWaalsContact C-N 3.34Å; L109-T111 PolarHBondContact O-N 3.14Å | ||
| 110 | S | 36.1 | Very low | 35.5 | Very low | 91 Ų | 91 | 144 Ų | 144 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | -75.4 | 83.4 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | F108 Y112 | F108-S110 PolarHBondContact O-N 3.39Å; S110-Y112 PolarHBondContact O-N 3.02Å; S110-Y112 VanDerWaalsContact O-N 3.11Å | ||
| 111 | T | 38.2 | Very low | 35.7 | Very low | 129 Ų | 129 | 138 Ų | 138 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -65.8 | 105.9 | 172.5 | -31 | 0 | 0 | 0 | 0 | 109.7 | L109 | L109-T111 VanDerWaalsContact C-N 3.34Å; L109-T111 PolarHBondContact O-N 3.14Å | ||
| 112 | Y | 38.9 | Very low | 36.1 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | -78.5 | 131.9 | 170.9 | -89.8 | -87.7 | 0 | 0 | 0 | 109.9 | S110 S114 | S110-Y112 PolarHBondContact O-N 3.02Å; S110-Y112 VanDerWaalsContact O-N 3.11Å; Y112-S114 PolarHBondContact O-N 3.09Å | ||
| 113 | P | 39 | Very low | 36.2 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | trans | -69.6 | 124.3 | 177.3 | 28.4 | -33.2 | 0 | 0 | 0 | 110.1 | ||||
| 114 | S | 34.3 | Very low | 36.4 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -98.6 | 77.9 | 173.2 | -70.7 | 0 | 0 | 0 | 0 | 110.4 | Y112 | Y112-S114 PolarHBondContact O-N 3.09Š| ||
| 115 | D | 37.8 | Very low | 36.2 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -123.8 | 142.4 | 167.8 | -74 | -51.8 | 0 | 0 | 0 | 108.4 | ||||
| 116 | S | 37.8 | Very low | 36.5 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | cis | -164.2 | 131.6 | -11.3 | 53.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 117 | K | 33.6 | Very low | 36.7 | Very low | 203 Ų | 203 | 143.6 Ų | 143.6 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -127.2 | 97.1 | 172.7 | -95.9 | -170.4 | 177.5 | 179.4 | 0 | 110.2 | ||||
| 118 | T | 39.4 | Very low | 36.8 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -168.5 | 119.9 | 159.6 | 9.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 119 | H | 37.5 | Very low | 36.9 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | 22 | 120.9 | 150.5 | -61.5 | -88.7 | 0 | 0 | 0 | 121.4 | ||||
| 120 | S | 32.5 | Very low | 37 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | -161.3 | 158.6 | 111.6 | -163.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 121 | C | 35.2 | Very low | 36.9 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | -87 | 146.2 | -173.3 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 122 | D | 34.5 | Very low | 36.9 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | -159.2 | 139.3 | 121.3 | -120.7 | -25.3 | 0 | 0 | 0 | 111.7 | |||||
| 123 | P | 36.4 | Very low | 36.7 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 60% | 0.604 | 79% | 0.788 | S | S | * | * | trans | -105.3 | 158.2 | -176.7 | 38.2 | -31.6 | 0 | 0 | 0 | 114.3 | ||||
| 124 | K | 39.1 | Very low | 36.8 | Very low | 206 Ų | 206 | 145.4 Ų | 145.4 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | 80.3 | 131 | -178.9 | -50 | 158.6 | -179.3 | 170.3 | 0 | 111.7 | ||||
| 125 | S | 35.8 | Very low | 36.9 | Very low | 87 Ų | 87 | 145.4 Ų | 145.4 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | cis | -170.6 | 159.9 | 49 | 60.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 126 | Y | 39.8 | Very low | 37 | Very low | 204 Ų | 204 | 144.5 Ų | 144.5 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | 59.1 | 98 | 164 | -49.4 | -64 | 0 | 0 | 0 | 117.3 | ||||
| 127 | L | 37.7 | Very low | 36.9 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | 81.5 | 130.9 | 76.6 | -84.5 | 172.7 | 0 | 0 | 0 | 115.7 | |||||
| 128 | N | 34 | Very low | 37 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | 79.1 | 93.8 | 159.6 | -57.2 | -17.9 | 0 | 0 | 0 | 120.2 | ||||
| 129 | A | 39.3 | Very low | 37 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | 177.2 | 75.8 | 128.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 130 | S | 39.3 | Very low | 37.4 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | 66.4 | 88.7 | 95.9 | -61.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 131 | Q | 35.1 | Very low | 38.1 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | 53.4 | 101 | 133.4 | -65 | 167.9 | -23.2 | 0 | 0 | 119.1 | ||||
| 132 | S | 37.7 | Very low | 38.9 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -138.1 | 104.2 | 131 | -164.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 133 | I | 34.8 | Very low | 40 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -79.8 | 118.4 | 175.9 | -65.5 | 164.7 | 0 | 0 | 0 | 107.1 | ||||
| 134 | R | 40.4 | Very low | 41 | Very low | 228 Ų | 228 | 139 Ų | 139 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -140.4 | 128 | 167 | -138.2 | 178.4 | -169.6 | -170.7 | 3.5 | 110.3 | ||||
| 135 | D | 36.4 | Very low | 42.1 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | trans | -48.9 | 126.9 | -159.5 | -57.4 | -85.6 | 0 | 0 | 0 | 117 | N137 | D135-N137 VanDerWaalsContact C-N 3.27Å; D135-N137 PolarHBondContact O-N 3.44Å | ||
| 136 | P | 40.1 | Very low | 43.6 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | -88.6 | 54.1 | 170.8 | 37.7 | -34.8 | 0 | 0 | 0 | 111.3 | ||||
| 137 | N | 36.1 | Very low | 45.7 | Very low | 117 Ų | 117 | 127 Ų | 127 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | trans | -110.7 | 101.5 | -173.3 | -76.1 | -43.4 | 0 | 0 | 0 | 113.8 | D135 | D135-N137 VanDerWaalsContact C-N 3.27Å; D135-N137 PolarHBondContact O-N 3.44Å | ||
| 138 | T | 35.1 | Very low | 48 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 83% | 0.834 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 55 | 72.5 | 142.9 | 54.1 | 0 | 0 | 0 | 0 | 119.5 | ||
| 139 | A | 39.5 | Very low | 50.3 | Low | 79 Ų | 79 | 121.2 Ų | 121.2 | 65% | 0.653 | 70% | 0.698 | S | S | * | * | trans | -162.9 | 169.7 | 146.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 140 | N | 46.9 | Very low | 52.5 | Low | 146 Ų | 146 | 118.6 Ų | 118.6 | 78% | 0.781 | 67% | 0.669 | S | S | * | * | trans | 84.5 | 2.1 | 161 | -51.1 | -22.5 | 0 | 0 | 0 | 120.9 | S143 | N140-S143 PolarHBondContact O-OG 3.14Š| ||
| 141 | S | 47.6 | Very low | 54.8 | Low | 117 Ų | 117 | 120.3 Ų | 120.3 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -7.1 | 173.8 | 48.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 142 | K | 51.8 | Low | 57.3 | Low | 204 Ų | 204 | 116.4 Ų | 116.4 | 89% | 0.887 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 0.2 | -177.1 | -91.6 | 178.5 | 174.3 | 176.3 | 0 | 116 | ||
| 143 | S | 56.8 | Low | 59.8 | Low | 76 Ų | 76 | 117.2 Ų | 117.2 | 53% | 0.531 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -96.3 | -21.3 | -178.4 | 54.5 | 0 | 0 | 0 | 0 | 114.9 | N140 H146 G147 | N140-S143 PolarHBondContact O-OG 3.14Å; S143-H146 PolarHBondContact O-N 2.88Å; S143-G147 PolarHBondContact O-N 3.49Å |
| 144 | H | 57.4 | Low | 62.4 | Low | 131 Ų | 131 | 117 Ų | 117 | 61% | 0.606 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.2 | -48 | -171.7 | -166.3 | -75.2 | 0 | 0 | 0 | 113.2 | H146 G147 Q148 | H144-H146 VanDerWaalsContact C-N 3.32Å; H144-H146 PolarHBondContact O-N 2.74Å; H144-G147 PolarHBondContact O-N 3.19Å; H144-Q148 PolarHBondContact CE1-NE2 3.14Å; H144-Q148 PolarHBondContact O-N 2.95Å |
| 145 | A | 62.9 | Low | 64.6 | Low | 72 Ų | 72 | 109 Ų | 109 | 60% | 0.595 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.5 | -36.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q148 A149 | A145-Q148 PolarHBondContact O-N 3.24Å; A145-A149 WeakPolarHBondContact O-CB 3.45Å; A145-A149 PolarHBondContact O-N 2.91Å |
| 146 | H | 66.9 | Low | 67.3 | Low | 135 Ų | 135 | 111.6 Ų | 111.6 | 63% | 0.625 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.9 | -39.2 | 174.9 | -174.1 | 61.1 | 0 | 0 | 0 | 111.7 | S143 H144 A149 E150 | S143-H146 PolarHBondContact O-N 2.88Å; H144-H146 VanDerWaalsContact C-N 3.32Å; H144-H146 PolarHBondContact O-N 2.74Å; H146-A149 PolarHBondContact O-N 3.25Å; H146-E150 VanDerWaalsContact O-CB 3.27Å; H146-E150 WeakPolarHBondContact O-CB 3.28Å; H146-E150 PolarHBondContact O-N 3.41Å |
| 147 | G | 83.3 | Confident | 69.6 | Low | 38 Ų | 38 | 108.7 Ų | 108.7 | 39% | 0.392 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61 | -43.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S143 H144 E150 Q151 | S143-G147 PolarHBondContact O-N 3.49Å; H144-G147 PolarHBondContact O-N 3.19Å; G147-E150 PolarHBondContact O-N 3.12Å; G147-Q151 VanDerWaalsContact O-CB 3.29Å; G147-Q151 WeakPolarHBondContact O-CB 3.09Å; G147-Q151 PolarHBondContact O-N 3.22Å |
| 148 | Q | 85.6 | Confident | 71.9 | Confident | 105 Ų | 105 | 106.1 Ų | 106.1 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.1 | -47 | 174.7 | -75.1 | -179.3 | -38 | 0 | 0 | 112.1 | H144 A145 E150 Q151 I152 | H144-Q148 PolarHBondContact CE1-NE2 3.14Å; H144-Q148 PolarHBondContact O-N 2.95Å; A145-Q148 PolarHBondContact O-N 3.24Å; Q148-E150 VanDerWaalsContact C-N 3.34Å; Q148-E150 PolarHBondContact O-N 2.95Å; Q148-Q151 PolarHBondContact O-N 3.05Å; Q148-I152 VanDerWaalsContact O-CG1 3.3Å; Q148-I152 WeakPolarHBondContact O-CG1 3.31Å; Q148-I152 PolarHBondContact O-N 3.15Å |
| 149 | A | 84 | Confident | 74.5 | Confident | 58 Ų | 58 | 104.5 Ų | 104.5 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.9 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A145 H146 I152 R153 | A145-A149 WeakPolarHBondContact O-CB 3.45Å; A145-A149 PolarHBondContact O-N 2.91Å; H146-A149 PolarHBondContact O-N 3.25Å; A149-I152 PolarHBondContact O-N 2.79Å; A149-R153 WeakPolarHBondContact O-CB 3.48Å; A149-R153 PolarHBondContact O-N 2.79Å |
| 150 | E | 83.8 | Confident | 76.8 | Confident | 40 Ų | 40 | 104.4 Ų | 104.4 | 19% | 0.187 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 175.7 | 176.2 | 62.7 | -177 | 0 | 0 | 112.3 | H146 G147 Q148 R153 R154 | H146-E150 VanDerWaalsContact O-CB 3.27Å; H146-E150 WeakPolarHBondContact O-CB 3.28Å; H146-E150 PolarHBondContact O-N 3.41Å; G147-E150 PolarHBondContact O-N 3.12Å; Q148-E150 VanDerWaalsContact C-N 3.34Å; Q148-E150 PolarHBondContact O-N 2.95Å; E150-R153 PolarHBondContact O-N 2.82Å; E150-R153 IonicContact OE1-CZ 2.63Å; E150-R153 IonicContact OE1-NH2 3.7Å; E150-R153 PolarHBondContact OE1-NH2 3Å; E150-R153 IonicContact OE2-CZ 2.72Å; E150-R153 IonicContact OE2-NE 3.63Å; E150-R153 PolarHBondContact OE2-NE 2.9Å; E150-R153 IonicContact OE2-NH2 2.71Å; E150-R153 PolarHBondContact OE2-NH2 3.34Å; E150-R154 WeakPolarHBondContact O-CB 3.46Å; E150-R154 VanDerWaalsContact O-CG 3.29Å; E150-R154 WeakPolarHBondContact O-CG 3.27Å; E150-R154 PolarHBondContact O-N 3.28Å; E150-R154 IonicContact OE1-CZ 3.19Å; E150-R154 IonicContact OE1-NE 2.74Å; E150-R154 PolarHBondContact OE1-NE 3.08Å; E150-R154 IonicContact OE1-NH2 2.78Å; E150-R154 PolarHBondContact OE1-NH2 3.3Å |
| 151 | Q | 88 | Confident | 78.8 | Confident | 140 Ų | 140 | 99.3 Ų | 99.3 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.6 | -44.3 | 174.1 | -176 | 175.5 | -1.8 | 0 | 0 | 111.3 | G147 Q148 R154 S155 | G147-Q151 VanDerWaalsContact O-CB 3.29Å; G147-Q151 WeakPolarHBondContact O-CB 3.09Å; G147-Q151 PolarHBondContact O-N 3.22Å; Q148-Q151 PolarHBondContact O-N 3.05Å; Q151-R154 PolarHBondContact O-N 3.27Å; Q151-S155 WeakPolarHBondContact O-CB 3.31Å; Q151-S155 PolarHBondContact O-N 2.87Å; Q151-S155 PolarHBondContact O-OG 3.37Å |
| 152 | I | 87.8 | Confident | 80.6 | Confident | 96 Ų | 96 | 97.1 Ų | 97.1 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 173.5 | -68.1 | 164.9 | 0 | 0 | 0 | 109.8 | Q148 A149 R154 S155 R156 | Q148-I152 VanDerWaalsContact O-CG1 3.3Å; Q148-I152 WeakPolarHBondContact O-CG1 3.31Å; Q148-I152 PolarHBondContact O-N 3.15Å; A149-I152 PolarHBondContact O-N 2.79Å; I152-R154 PolarHBondContact O-N 3.1Å; I152-S155 WeakPolarHBondContact CA-OG 3.46Å; I152-S155 PolarHBondContact O-N 2.94Å; I152-S155 PolarHBondContact O-OG 3.36Å; I152-R156 PolarHBondContact O-N 3.47Å |
| 153 | R | 90.3 | Very high | 82.4 | Confident | 136 Ų | 136 | 92.4 Ų | 92.4 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.8 | -47.2 | 176.8 | -168.8 | -178.7 | 72.3 | 82.9 | 1.4 | 112.1 | A149 E150 E157 | A149-R153 WeakPolarHBondContact O-CB 3.48Å; A149-R153 PolarHBondContact O-N 2.79Å; E150-R153 PolarHBondContact O-N 2.82Å; E150-R153 IonicContact OE1-CZ 2.63Å; E150-R153 IonicContact OE1-NH2 3.7Å; E150-R153 PolarHBondContact OE1-NH2 3Å; E150-R153 IonicContact OE2-CZ 2.72Å; E150-R153 IonicContact OE2-NE 3.63Å; E150-R153 PolarHBondContact OE2-NE 2.9Å; E150-R153 IonicContact OE2-NH2 2.71Å; E150-R153 PolarHBondContact OE2-NH2 3.34Å; R153-E157 IonicContact NH1-OE2 2.73Å; R153-E157 WeakPolarHBondContact O-CB 3.48Å; R153-E157 PolarHBondContact O-N 3.32Å |
| 154 | R | 88.7 | Confident | 83.9 | Confident | 154 Ų | 154 | 90.6 Ų | 90.6 | 58% | 0.581 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.5 | -37.5 | 177.1 | -72.4 | 175.9 | -170.8 | -170.8 | 6.9 | 112.8 | E150 Q151 I152 E157 S158 | E150-R154 WeakPolarHBondContact O-CB 3.46Å; E150-R154 VanDerWaalsContact O-CG 3.29Å; E150-R154 WeakPolarHBondContact O-CG 3.27Å; E150-R154 PolarHBondContact O-N 3.28Å; E150-R154 IonicContact OE1-CZ 3.19Å; E150-R154 IonicContact OE1-NE 2.74Å; E150-R154 PolarHBondContact OE1-NE 3.08Å; E150-R154 IonicContact OE1-NH2 2.78Å; E150-R154 PolarHBondContact OE1-NH2 3.3Å; Q151-R154 PolarHBondContact O-N 3.27Å; I152-R154 PolarHBondContact O-N 3.1Å; R154-E157 PolarHBondContact O-N 2.89Å; R154-S158 WeakPolarHBondContact O-CB 3.45Å; R154-S158 PolarHBondContact O-N 3.34Å |
| 155 | S | 88.5 | Confident | 85.3 | Confident | 58 Ų | 58 | 87.5 Ų | 87.5 | 41% | 0.406 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 176.9 | 73.1 | 0 | 0 | 0 | 0 | 111.5 | Q151 I152 E157 S158 I159 | Q151-S155 WeakPolarHBondContact O-CB 3.31Å; Q151-S155 PolarHBondContact O-N 2.87Å; Q151-S155 PolarHBondContact O-OG 3.37Å; I152-S155 WeakPolarHBondContact CA-OG 3.46Å; I152-S155 PolarHBondContact O-N 2.94Å; I152-S155 PolarHBondContact O-OG 3.36Å; S155-E157 PolarHBondContact O-N 3.34Å; S155-S158 WeakPolarHBondContact O-CB 3.25Å; S155-S158 PolarHBondContact O-N 2.97Å; S155-S158 VanDerWaalsContact O-N 3.15Å; S155-I159 WeakPolarHBondContact O-CG1 3.46Å; S155-I159 PolarHBondContact O-N 2.91Å |
| 156 | R | 91.7 | Very high | 86.4 | Confident | 178 Ų | 178 | 86.5 Ų | 86.5 | 67% | 0.672 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -56.8 | -49.8 | 172.5 | -78.7 | -177.2 | 158.7 | -174.3 | -7.4 | 111.1 | I152 S158 I159 T160 | I152-R156 PolarHBondContact O-N 3.47Å; R156-S158 VanDerWaalsContact C-N 3.28Å; R156-S158 PolarHBondContact O-N 2.88Å; R156-I159 PolarHBondContact O-N 3.21Å; R156-T160 PolarHBondContact O-N 3.48Å; R156-T160 PolarHBondContact O-OG1 2.89Å; R156-T160 VanDerWaalsContact O-OG1 3.05Å |
| 157 | E | 88.2 | Confident | 87.4 | Confident | 66 Ų | 66 | 85.6 Ų | 85.6 | 31% | 0.308 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.5 | -40.7 | 176.6 | -163.3 | -161.6 | 131.5 | 0 | 0 | 111.9 | R153 R154 S155 F161 K198 | R153-E157 IonicContact NH1-OE2 2.73Å; R153-E157 WeakPolarHBondContact O-CB 3.48Å; R153-E157 PolarHBondContact O-N 3.32Å; R154-E157 PolarHBondContact O-N 2.89Å; S155-E157 PolarHBondContact O-N 3.34Å; E157-F161 HydrophobicContact CG-CD2 3.89Å; E157-F161 HydrophobicContact CG-CE2 3.8Å; E157-F161 VanDerWaalsContact O-CD2 3.24Å; E157-F161 WeakPolarHBondContact O-CD2 3.47Å; E157-F161 PolarHBondContact O-N 3.37Å; E157-K198 IonicContact OE1-NZ 3.8Å; E157-K198 PolarHBondContact OE1-NZ 3.22Å |
| 158 | S | 85.9 | Confident | 87.7 | Confident | 64 Ų | 64 | 84 Ų | 84 | 45% | 0.448 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 177.4 | -160.3 | 0 | 0 | 0 | 0 | 112.7 | R154 S155 R156 S162 | R154-S158 WeakPolarHBondContact O-CB 3.45Å; R154-S158 PolarHBondContact O-N 3.34Å; S155-S158 WeakPolarHBondContact O-CB 3.25Å; S155-S158 PolarHBondContact O-N 2.97Å; S155-S158 VanDerWaalsContact O-N 3.15Å; R156-S158 VanDerWaalsContact C-N 3.28Å; R156-S158 PolarHBondContact O-N 2.88Å; S158-S162 WeakPolarHBondContact O-CB 3.48Å; S158-S162 PolarHBondContact O-N 3.18Å; S158-S162 PolarHBondContact O-OG 3.05Å |
| 159 | I | 89 | Confident | 87.7 | Confident | 102 Ų | 102 | 82.2 Ų | 82.2 | 52% | 0.523 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 174.9 | -67 | 163.3 | 0 | 0 | 0 | 109.5 | S155 R156 F161 S162 L163 | S155-I159 WeakPolarHBondContact O-CG1 3.46Å; S155-I159 PolarHBondContact O-N 2.91Å; R156-I159 PolarHBondContact O-N 3.21Å; I159-F161 PolarHBondContact O-N 2.81Å; I159-S162 WeakPolarHBondContact O-CB 3.14Å; I159-S162 PolarHBondContact O-N 3.36Å; I159-S162 VanDerWaalsContact O-N 3.08Å; I159-L163 HydrophobicContact CG2-CD1 4.04Å; I159-L163 HydrophobicContact CG2-CG 4.46Å; I159-L163 WeakPolarHBondContact O-CG 3.42Å; I159-L163 PolarHBondContact O-N 3.39Å |
| 160 | T | 88.6 | Confident | 87.8 | Confident | 76 Ų | 76 | 83.7 Ų | 83.7 | 47% | 0.466 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 178 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | R156 S162 L163 I164 | R156-T160 PolarHBondContact O-N 3.48Å; R156-T160 PolarHBondContact O-OG1 2.89Å; R156-T160 VanDerWaalsContact O-OG1 3.05Å; T160-S162 VanDerWaalsContact C-N 3.34Å; T160-S162 PolarHBondContact O-N 2.77Å; T160-L163 PolarHBondContact O-N 2.79Å; T160-I164 HydrophobicContact CG2-CD1 4.04Å; T160-I164 VanDerWaalsContact O-CG1 3.31Å; T160-I164 WeakPolarHBondContact O-CG1 3.49Å; T160-I164 PolarHBondContact O-N 3.22Å |
| 161 | F | 87.6 | Confident | 87.8 | Confident | 40 Ų | 40 | 85.9 Ų | 85.9 | 18% | 0.175 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -69.6 | -29.5 | 177.4 | -82.6 | -67.8 | 0 | 0 | 0 | 113.7 | E157 I159 I164 D165 K198 | E157-F161 HydrophobicContact CG-CD2 3.89Å; E157-F161 HydrophobicContact CG-CE2 3.8Å; E157-F161 VanDerWaalsContact O-CD2 3.24Å; E157-F161 WeakPolarHBondContact O-CD2 3.47Å; E157-F161 PolarHBondContact O-N 3.37Å; I159-F161 PolarHBondContact O-N 2.81Å; F161-I164 HydrophobicContact CD1-CD1 4.18Å; F161-I164 HydrophobicContact CE1-CD1 4.37Å; F161-D165 VanDerWaalsContact O-CB 3.28Å; F161-D165 WeakPolarHBondContact O-CB 3.25Å; F161-D165 PolarHBondContact O-N 3.06Å; F161-K198 HydrophobicContact CB-CG 4.31Å; F161-K198 HydrophobicContact CD1-CB 3.89Å; F161-K198 HydrophobicContact CD1-CD 4.47Å; F161-K198 HydrophobicContact CD1-CG 3.8Å; F161-K198 HydrophobicContact CD2-CB 4.3Å; F161-K198 HydrophobicContact CD2-CD 3.47Å; F161-K198 VanDerWaalsContact CD2-CD 3.47Å; F161-K198 HydrophobicContact CD2-CG 3.72Å; F161-K198 HydrophobicContact CE1-CB 3.62Å; F161-K198 HydrophobicContact CE1-CG 4.01Å; F161-K198 WeakPolarHBondContact CE1-O 3.48Å; F161-K198 HydrophobicContact CE2-CB 4.06Å; F161-K198 HydrophobicContact CE2-CD 3.6Å; F161-K198 HydrophobicContact CE2-CG 3.94Å; F161-K198 HydrophobicContact CG-CB 4.24Å; F161-K198 HydrophobicContact CG-CD 3.96Å; F161-K198 HydrophobicContact CG-CG 3.66Å; F161-K198 HydrophobicContact CZ-CB 3.72Å; F161-K198 HydrophobicContact CZ-CD 4.17Å; F161-K198 HydrophobicContact CZ-CG 4.08Å |
| 162 | S | 85.3 | Confident | 87.7 | Confident | 71 Ų | 71 | 83.3 Ų | 83.3 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.1 | -40 | 174.1 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | S158 I159 T160 D165 S166 | S158-S162 WeakPolarHBondContact O-CB 3.48Å; S158-S162 PolarHBondContact O-N 3.18Å; S158-S162 PolarHBondContact O-OG 3.05Å; I159-S162 WeakPolarHBondContact O-CB 3.14Å; I159-S162 PolarHBondContact O-N 3.36Å; I159-S162 VanDerWaalsContact O-N 3.08Å; T160-S162 VanDerWaalsContact C-N 3.34Å; T160-S162 PolarHBondContact O-N 2.77Å; S162-D165 PolarHBondContact O-N 2.85Å; S162-S166 PolarHBondContact O-N 3.41Å; S162-S166 PolarHBondContact O-OG 2.68Å |
| 163 | L | 90.1 | Very high | 87.6 | Confident | 105 Ų | 105 | 81 Ų | 81 | 55% | 0.55 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 172.7 | -68.3 | 171.8 | 0 | 0 | 0 | 111.5 | I159 T160 D165 S166 Q167 | I159-L163 HydrophobicContact CG2-CD1 4.04Å; I159-L163 HydrophobicContact CG2-CG 4.46Å; I159-L163 WeakPolarHBondContact O-CG 3.42Å; I159-L163 PolarHBondContact O-N 3.39Å; T160-L163 PolarHBondContact O-N 2.79Å; L163-D165 VanDerWaalsContact C-N 3.3Å; L163-D165 PolarHBondContact O-N 2.86Å; L163-S166 PolarHBondContact O-N 3.08Å; L163-S166 PolarHBondContact O-OG 3.31Å; L163-Q167 WeakPolarHBondContact O-CG 3.49Å; L163-Q167 PolarHBondContact O-N 3.38Å |
| 164 | I | 88.7 | Confident | 87.3 | Confident | 38 Ų | 38 | 76.5 Ų | 76.5 | 20% | 0.195 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 173.7 | -67.4 | 165.2 | 0 | 0 | 0 | 110.9 | T160 F161 Q167 L168 N201 V205 | T160-I164 HydrophobicContact CG2-CD1 4.04Å; T160-I164 VanDerWaalsContact O-CG1 3.31Å; T160-I164 WeakPolarHBondContact O-CG1 3.49Å; T160-I164 PolarHBondContact O-N 3.22Å; F161-I164 HydrophobicContact CD1-CD1 4.18Å; F161-I164 HydrophobicContact CE1-CD1 4.37Å; I164-Q167 PolarHBondContact O-N 3.02Å; I164-L168 HydrophobicContact CG2-CD1 3.84Å; I164-L168 HydrophobicContact CG2-CG 4.16Å; I164-L168 WeakPolarHBondContact O-CB 3.46Å; I164-L168 VanDerWaalsContact O-CG 3.29Å; I164-L168 WeakPolarHBondContact O-CG 3.29Å; I164-L168 PolarHBondContact O-N 3.13Å; I164-N201 HydrophobicContact CG2-CB 3.92Å; I164-V205 HydrophobicContact CG2-CG2 3.67Å |
| 165 | D | 87.1 | Confident | 87.2 | Confident | 65 Ų | 65 | 75 Ų | 75 | 35% | 0.348 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | -178 | -158.4 | 56.4 | 0 | 0 | 0 | 112.6 | F161 S162 L163 S169 R177 N201 | F161-D165 VanDerWaalsContact O-CB 3.28Å; F161-D165 WeakPolarHBondContact O-CB 3.25Å; F161-D165 PolarHBondContact O-N 3.06Å; S162-D165 PolarHBondContact O-N 2.85Å; L163-D165 VanDerWaalsContact C-N 3.3Å; L163-D165 PolarHBondContact O-N 2.86Å; D165-S169 PolarHBondContact O-N 3.29Å; D165-S169 VanDerWaalsContact O-N 3.12Å; D165-R177 PolarHBondContact O-NH1 2.74Å; D165-R177 IonicContact OD1-CZ 3.31Å; D165-R177 IonicContact OD1-NH1 3.01Å; D165-R177 PolarHBondContact OD1-NH1 3.34Å; D165-R177 IonicContact OD1-NH2 2.68Å; D165-R177 PolarHBondContact OD1-NH2 3.15Å; D165-N201 PolarHBondContact OD1-ND2 3.14Å |
| 166 | S | 86 | Confident | 86.9 | Confident | 51 Ų | 51 | 75.4 Ų | 75.4 | 36% | 0.357 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 173.7 | 63.2 | 0 | 0 | 0 | 0 | 112.8 | S162 L163 L168 S169 I170 | S162-S166 PolarHBondContact O-N 3.41Å; S162-S166 PolarHBondContact O-OG 2.68Å; L163-S166 PolarHBondContact O-N 3.08Å; L163-S166 PolarHBondContact O-OG 3.31Å; S166-L168 PolarHBondContact O-N 2.76Å; S166-S169 PolarHBondContact O-N 2.98Å; S166-S169 VanDerWaalsContact O-N 3.16Å; S166-S169 PolarHBondContact O-OG 3.29Å; S166-I170 WeakPolarHBondContact O-CG1 3.24Å |
| 167 | Q | 88.2 | Confident | 86.6 | Confident | 116 Ų | 116 | 68.8 Ų | 68.8 | 54% | 0.542 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 175.8 | -68.8 | -66.6 | -15.5 | 0 | 0 | 111.9 | L163 I164 S169 I170 | L163-Q167 WeakPolarHBondContact O-CG 3.49Å; L163-Q167 PolarHBondContact O-N 3.38Å; I164-Q167 PolarHBondContact O-N 3.02Å; Q167-S169 VanDerWaalsContact C-N 3.25Å; Q167-S169 PolarHBondContact O-N 2.96Å; Q167-I170 PolarHBondContact O-N 2.99Å |
| 168 | L | 88.3 | Confident | 86.3 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -6.3 | 175.1 | -68.6 | -177.1 | 0 | 0 | 0 | 114.4 | I164 S166 L173 N174 N201 V204 V205 I208 | I164-L168 HydrophobicContact CG2-CD1 3.84Å; I164-L168 HydrophobicContact CG2-CG 4.16Å; I164-L168 WeakPolarHBondContact O-CB 3.46Å; I164-L168 VanDerWaalsContact O-CG 3.29Å; I164-L168 WeakPolarHBondContact O-CG 3.29Å; I164-L168 PolarHBondContact O-N 3.13Å; S166-L168 PolarHBondContact O-N 2.76Å; L168-L173 HydrophobicContact CD2-CB 4.24Å; L168-L173 HydrophobicContact CD2-CD1 4.48Å; L168-N174 VanDerWaalsContact O-CA 3.26Å; L168-N174 WeakPolarHBondContact O-CA 3.41Å; L168-N174 PolarHBondContact O-N 3.48Å; L168-N201 HydrophobicContact CD1-CB 3.82Å; L168-V204 HydrophobicContact CD1-CB 4.18Å; L168-V204 HydrophobicContact CD1-CG1 4.08Å; L168-V204 HydrophobicContact CD2-CG1 3.74Å; L168-V205 HydrophobicContact CD1-CG2 4.17Å; L168-V205 HydrophobicContact CD2-CG2 4.29Å; L168-V205 HydrophobicContact CG-CG2 4.41Å; L168-I208 HydrophobicContact CD2-CD1 3.62Å |
| 169 | S | 85.5 | Confident | 86.1 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -9.3 | 174 | 73.3 | 0 | 0 | 0 | 0 | 113.2 | D165 S166 Q167 N174 | D165-S169 PolarHBondContact O-N 3.29Å; D165-S169 VanDerWaalsContact O-N 3.12Å; S166-S169 PolarHBondContact O-N 2.98Å; S166-S169 VanDerWaalsContact O-N 3.16Å; S166-S169 PolarHBondContact O-OG 3.29Å; Q167-S169 VanDerWaalsContact C-N 3.25Å; Q167-S169 PolarHBondContact O-N 2.96Å; S169-N174 WeakPolarHBondContact O-CB 3.47Å |
| 170 | I | 85.9 | Confident | 85.9 | Confident | 89 Ų | 89 | 68 Ų | 68 | 46% | 0.456 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -91.4 | 139.9 | 179.5 | -60.3 | 164.5 | 0 | 0 | 0 | 109.9 | S166 Q167 L173 N174 | S166-I170 WeakPolarHBondContact O-CG1 3.24Å; Q167-I170 PolarHBondContact O-N 2.99Å; I170-L173 PolarHBondContact O-N 3.17Å; I170-N174 PolarHBondContact O-N 2.93Å; I170-N174 VanDerWaalsContact O-N 3.09Å |
| 171 | P | 84.9 | Confident | 85.5 | Confident | 86 Ų | 86 | 66.5 Ų | 66.5 | 56% | 0.558 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 146.7 | 171.4 | -22 | 33 | 0 | 0 | 0 | 113.1 | N174 | P171-N174 VanDerWaalsContact CA-OD1 3.32Å; P171-N174 WeakPolarHBondContact CA-OD1 3.46Å |
| 172 | P | 85 | Confident | 85.2 | Confident | 87 Ų | 87 | 70.2 Ų | 70.2 | 57% | 0.565 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -83.6 | -3.8 | -0.8 | 34.3 | -36.1 | 0 | 0 | 0 | 113.9 | N174 Q175 | P172-N174 VanDerWaalsContact C-N 3.29Å; P172-N174 PolarHBondContact O-N 3.38Å; P172-Q175 WeakPolarHBondContact O-CB 3.4Å; P172-Q175 PolarHBondContact O-N 3.16Å; P172-Q175 VanDerWaalsContact O-N 3.15Å |
| 173 | L | 85.9 | Confident | 84.8 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 25% | 0.251 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.2 | -29.5 | -170.9 | -56.6 | -174.7 | 0 | 0 | 0 | 113.3 | L168 I170 Q175 I176 R177 I208 | L168-L173 HydrophobicContact CD2-CB 4.24Å; L168-L173 HydrophobicContact CD2-CD1 4.48Å; I170-L173 PolarHBondContact O-N 3.17Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 3.37Å; L173-I176 HydrophobicContact CD2-CD1 4.19Å; L173-I176 PolarHBondContact O-N 3.36Å; L173-R177 PolarHBondContact O-N 3.27Å; L173-I208 HydrophobicContact CD2-CD1 3.95Å; L173-I208 HydrophobicContact CD2-CG1 4.41Å; L173-I208 HydrophobicContact CD2-CG2 4.32Å |
| 174 | N | 85.3 | Confident | 83.9 | Confident | 40 Ų | 40 | 74.1 Ų | 74.1 | 21% | 0.214 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.3 | -37.6 | 173.6 | 68 | -14.5 | 0 | 0 | 0 | 113.1 | L168 S169 I170 P171 P172 I176 R177 D178 | L168-N174 VanDerWaalsContact O-CA 3.26Å; L168-N174 WeakPolarHBondContact O-CA 3.41Å; L168-N174 PolarHBondContact O-N 3.48Å; S169-N174 WeakPolarHBondContact O-CB 3.47Å; I170-N174 PolarHBondContact O-N 2.93Å; I170-N174 VanDerWaalsContact O-N 3.09Å; P171-N174 VanDerWaalsContact CA-OD1 3.32Å; P171-N174 WeakPolarHBondContact CA-OD1 3.46Å; P172-N174 VanDerWaalsContact C-N 3.29Å; P172-N174 PolarHBondContact O-N 3.38Å; N174-I176 PolarHBondContact O-N 3.07Å; N174-R177 WeakPolarHBondContact O-CB 3.19Å; N174-R177 PolarHBondContact O-N 2.99Å; N174-D178 WeakPolarHBondContact O-CB 3.48Å; N174-D178 VanDerWaalsContact O-CG 3.24Å; N174-D178 PolarHBondContact O-N 2.83Å |
| 175 | Q | 84.8 | Confident | 82.6 | Confident | 123 Ų | 123 | 76.6 Ų | 76.6 | 58% | 0.575 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 177 | -57.5 | 178.4 | 15.9 | 0 | 0 | 111 | P172 L173 R177 D178 I179 | P172-Q175 WeakPolarHBondContact O-CB 3.4Å; P172-Q175 PolarHBondContact O-N 3.16Å; P172-Q175 VanDerWaalsContact O-N 3.15Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 3.37Å; Q175-R177 VanDerWaalsContact C-N 3.34Å; Q175-R177 PolarHBondContact O-N 3.39Å; Q175-D178 PolarHBondContact O-N 3.38Å; Q175-I179 WeakPolarHBondContact O-CB 3.46Å; Q175-I179 WeakPolarHBondContact O-CD1 3.28Å; Q175-I179 WeakPolarHBondContact O-CG1 3.49Å; Q175-I179 PolarHBondContact O-N 3.41Å |
| 176 | I | 83.9 | Confident | 81.1 | Confident | 67 Ų | 67 | 79.4 Ų | 79.4 | 34% | 0.344 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63 | -43 | 176.6 | -54.8 | 175.5 | 0 | 0 | 0 | 110.3 | L173 N174 Y180 V204 I208 | L173-I176 HydrophobicContact CD2-CD1 4.19Å; L173-I176 PolarHBondContact O-N 3.36Å; N174-I176 PolarHBondContact O-N 3.07Å; I176-Y180 VanDerWaalsContact O-CB 3.3Å; I176-Y180 WeakPolarHBondContact O-CB 3.3Å; I176-Y180 PolarHBondContact O-N 3.43Å; I176-V204 HydrophobicContact CG2-CG1 4.31Å; I176-I208 HydrophobicContact CD1-CG1 4.01Å; I176-I208 HydrophobicContact CG2-CG1 4.2Å |
| 177 | R | 84 | Confident | 79.3 | Confident | 38 Ų | 38 | 82.6 Ų | 82.6 | 14% | 0.143 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 175.5 | -177.8 | -166.7 | -178.9 | 148.8 | 6.5 | 111.6 | D165 L173 N174 Q175 Y180 L181 N201 V204 | D165-R177 PolarHBondContact O-NH1 2.74Å; D165-R177 IonicContact OD1-CZ 3.31Å; D165-R177 IonicContact OD1-NH1 3.01Å; D165-R177 PolarHBondContact OD1-NH1 3.34Å; D165-R177 IonicContact OD1-NH2 2.68Å; D165-R177 PolarHBondContact OD1-NH2 3.15Å; L173-R177 PolarHBondContact O-N 3.27Å; N174-R177 WeakPolarHBondContact O-CB 3.19Å; N174-R177 PolarHBondContact O-N 2.99Å; Q175-R177 VanDerWaalsContact C-N 3.34Å; Q175-R177 PolarHBondContact O-N 3.39Å; R177-Y180 PolarHBondContact O-N 3.2Å; R177-L181 HydrophobicContact CG-CD1 4.12Å; R177-L181 WeakPolarHBondContact O-CB 3.39Å; R177-L181 WeakPolarHBondContact O-CG 3.29Å; R177-L181 PolarHBondContact O-N 3.02Å; R177-N201 PolarHBondContact NH2-OD1 2.73Å; R177-V204 HydrophobicContact CB-CG1 4.28Å |
| 178 | D | 81.9 | Confident | 77.4 | Confident | 76 Ų | 76 | 80.2 Ų | 80.2 | 41% | 0.406 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.6 | -43.4 | -177.4 | -72.4 | -16.6 | 0 | 0 | 0 | 111.3 | N174 Q175 Y180 L181 Q182 | N174-D178 WeakPolarHBondContact O-CB 3.48Å; N174-D178 VanDerWaalsContact O-CG 3.24Å; N174-D178 PolarHBondContact O-N 2.83Å; Q175-D178 PolarHBondContact O-N 3.38Å; D178-Y180 VanDerWaalsContact C-N 3.32Å; D178-Y180 PolarHBondContact O-N 3Å; D178-L181 PolarHBondContact O-N 3.42Å; D178-Q182 WeakPolarHBondContact O-CB 3.05Å; D178-Q182 WeakPolarHBondContact O-CG 3.5Å; D178-Q182 PolarHBondContact O-N 3.4Å |
| 179 | I | 83.2 | Confident | 75.4 | Confident | 99 Ų | 99 | 87.3 Ų | 87.3 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 172.2 | -68.7 | 163.7 | 0 | 0 | 0 | 110.6 | Q175 L181 Q182 T183 | Q175-I179 WeakPolarHBondContact O-CB 3.46Å; Q175-I179 WeakPolarHBondContact O-CD1 3.28Å; Q175-I179 WeakPolarHBondContact O-CG1 3.49Å; Q175-I179 PolarHBondContact O-N 3.41Å; I179-L181 PolarHBondContact O-N 3.49Å; I179-Q182 PolarHBondContact O-N 3.42Å; I179-T183 VanDerWaalsContact O-CB 3.31Å; I179-T183 WeakPolarHBondContact O-CB 3.47Å; I179-T183 PolarHBondContact O-N 3.23Å; I179-T183 PolarHBondContact O-OG1 3.38Å |
| 180 | Y | 83.3 | Confident | 73.3 | Confident | 42 Ų | 42 | 88.6 Ų | 88.6 | 17% | 0.165 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 178 | -174.6 | -88 | 0 | 0 | 0 | 112.7 | I176 R177 D178 R184 T200 S203 V204 | I176-Y180 VanDerWaalsContact O-CB 3.3Å; I176-Y180 WeakPolarHBondContact O-CB 3.3Å; I176-Y180 PolarHBondContact O-N 3.43Å; R177-Y180 PolarHBondContact O-N 3.2Å; D178-Y180 VanDerWaalsContact C-N 3.32Å; D178-Y180 PolarHBondContact O-N 3Å; Y180-R184 HydrophobicContact CE1-CG 4.49Å; Y180-R184 VanDerWaalsContact CE1-NE 3.3Å; Y180-R184 PolarHBondContact O-N 3.32Å; Y180-R184 PolarHBondContact OH-NE 2.93Å; Y180-R184 PolarHBondContact OH-NH2 3.47Å; Y180-T200 HydrophobicContact CD1-CG2 3.75Å; Y180-T200 HydrophobicContact CE1-CG2 3.86Å; Y180-S203 VanDerWaalsContact CZ-OG 3.3Å; Y180-S203 WeakPolarHBondContact OH-CB 3.22Å; Y180-S203 PolarHBondContact OH-OG 3.04Å; Y180-V204 HydrophobicContact CD1-CG2 3.61Å; Y180-V204 HydrophobicContact CD2-CG2 4.34Å; Y180-V204 HydrophobicContact CE1-CG2 4.3Å; Y180-V204 HydrophobicContact CG-CG2 3.65Å |
| 181 | L | 81.1 | Confident | 71.2 | Confident | 43 Ų | 43 | 91.9 Ų | 91.9 | 23% | 0.225 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -66.7 | -48.4 | 174.1 | -78.6 | 169.9 | 0 | 0 | 0 | 111.5 | R177 D178 I179 T183 R184 S185 T196 T200 | R177-L181 HydrophobicContact CG-CD1 4.12Å; R177-L181 WeakPolarHBondContact O-CB 3.39Å; R177-L181 WeakPolarHBondContact O-CG 3.29Å; R177-L181 PolarHBondContact O-N 3.02Å; D178-L181 PolarHBondContact O-N 3.42Å; I179-L181 PolarHBondContact O-N 3.49Å; L181-T183 PolarHBondContact O-N 3.31Å; L181-R184 CarbonylContact O-C 3.59Å; L181-R184 PolarHBondContact O-N 2.92Å; L181-R184 VanDerWaalsContact O-N 3.16Å; L181-S185 PolarHBondContact O-N 3.47Å; L181-S185 PolarHBondContact O-OG 2.89Å; L181-T196 HydrophobicContact CD2-CG2 3.98Å; L181-T200 HydrophobicContact CD2-CG2 3.69Å; L181-T200 HydrophobicContact CG-CG2 4.16Å |
| 182 | Q | 80.3 | Confident | 69.2 | Low | 118 Ų | 118 | 91 Ų | 91 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.7 | -49.2 | 177.4 | -72.5 | 168.1 | 20.8 | 0 | 0 | 111.4 | D178 I179 R184 S185 T186 | D178-Q182 WeakPolarHBondContact O-CB 3.05Å; D178-Q182 WeakPolarHBondContact O-CG 3.5Å; D178-Q182 PolarHBondContact O-N 3.4Å; I179-Q182 PolarHBondContact O-N 3.42Å; Q182-R184 PolarHBondContact O-N 3.35Å; Q182-R184 VanDerWaalsContact O-N 3.14Å; Q182-S185 PolarHBondContact O-N 3.34Å; Q182-S185 PolarHBondContact O-OG 3.02Å; Q182-T186 PolarHBondContact O-N 3.27Å; Q182-T186 PolarHBondContact O-OG1 3.01Å; Q182-T186 VanDerWaalsContact O-OG1 3.14Å |
| 183 | T | 77.4 | Confident | 67.4 | Low | 106 Ų | 106 | 93.4 Ų | 93.4 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.2 | -28.1 | 179.2 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | I179 L181 | I179-T183 VanDerWaalsContact O-CB 3.31Å; I179-T183 WeakPolarHBondContact O-CB 3.47Å; I179-T183 PolarHBondContact O-N 3.23Å; I179-T183 PolarHBondContact O-OG1 3.38Å; L181-T183 PolarHBondContact O-N 3.31Å |
| 184 | R | 70.8 | Confident | 65.4 | Low | 153 Ų | 153 | 95.8 Ų | 95.8 | 58% | 0.577 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -89.8 | -25.6 | 174.7 | -77.4 | -175.3 | 169.3 | -86.8 | -2.7 | 114.3 | Y180 L181 Q182 T186 | Y180-R184 HydrophobicContact CE1-CG 4.49Å; Y180-R184 VanDerWaalsContact CE1-NE 3.3Å; Y180-R184 PolarHBondContact O-N 3.32Å; Y180-R184 PolarHBondContact OH-NE 2.93Å; Y180-R184 PolarHBondContact OH-NH2 3.47Å; L181-R184 CarbonylContact O-C 3.59Å; L181-R184 PolarHBondContact O-N 2.92Å; L181-R184 VanDerWaalsContact O-N 3.16Å; Q182-R184 PolarHBondContact O-N 3.35Å; Q182-R184 VanDerWaalsContact O-N 3.14Å; R184-T186 VanDerWaalsContact C-N 3.32Å |
| 185 | S | 61.2 | Low | 63.6 | Low | 89 Ų | 89 | 103.3 Ų | 103.3 | 62% | 0.622 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -82 | -6.6 | -176.7 | 66.4 | 0 | 0 | 0 | 0 | 114.4 | L181 Q182 C187 | L181-S185 PolarHBondContact O-N 3.47Å; L181-S185 PolarHBondContact O-OG 2.89Å; Q182-S185 PolarHBondContact O-N 3.34Å; Q182-S185 PolarHBondContact O-OG 3.02Å; S185-C187 PolarHBondContact O-N 3.12Å |
| 186 | T | 57.2 | Low | 62.1 | Low | 124 Ų | 124 | 100.6 Ų | 100.6 | 76% | 0.761 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -5.9 | 179.1 | -34.6 | 0 | 0 | 0 | 0 | 114.1 | Q182 R184 | Q182-T186 PolarHBondContact O-N 3.27Å; Q182-T186 PolarHBondContact O-OG1 3.01Å; Q182-T186 VanDerWaalsContact O-OG1 3.14Å; R184-T186 VanDerWaalsContact C-N 3.32Å |
| 187 | C | 48.1 | Very low | 61.4 | Low | 119 Ų | 119 | 100.4 Ų | 100.4 | 80% | 0.804 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -131 | 92.8 | 178.3 | -160.8 | 0 | 0 | 0 | 0 | 112.5 | S185 | S185-C187 PolarHBondContact O-N 3.12Š|
| 188 | G | 48 | Very low | 61.1 | Low | 66 Ų | 66 | 102.7 Ų | 102.7 | 68% | 0.68 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 92.7 | 112 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 189 | N | 45.6 | Very low | 61.1 | Low | 153 Ų | 153 | 106.6 Ų | 106.6 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | trans | 51.7 | 102.9 | 148.2 | -62.1 | 14.8 | 0 | 0 | 0 | 119.5 | ||||
| 190 | S | 40.6 | Very low | 61.1 | Low | 95 Ų | 95 | 102.7 Ų | 102.7 | 66% | 0.664 | 58% | 0.581 | S | S | * | * | S | Bend | 20.2 | 133.1 | 127.6 | 55.9 | 0 | 0 | 0 | 0 | 120.2 | |||
| 191 | N | 43.2 | Very low | 61.2 | Low | 158 Ų | 158 | 101 Ų | 101 | 85% | 0.845 | 57% | 0.574 | S | S | * | * | trans | 98.9 | 44.8 | 159.5 | -48.8 | -20.1 | 0 | 0 | 0 | 118.5 | ||||
| 192 | S | 42 | Very low | 61.4 | Low | 66 Ų | 66 | 103.9 Ų | 103.9 | 46% | 0.462 | 59% | 0.589 | S | S | . | * | trans | -140.7 | 48.7 | 170.1 | -167.6 | 0 | 0 | 0 | 0 | 114.3 | A194 R195 T196 | S192-A194 VanDerWaalsContact C-N 3.31Å; S192-A194 PolarHBondContact O-N 3.27Å; S192-R195 PolarHBondContact O-N 3.18Å; S192-R195 WeakPolarHBondContact OG-CB 3.15Å; S192-T196 PolarHBondContact O-N 3.04Å; S192-T196 VanDerWaalsContact O-N 3.08Å; S192-T196 PolarHBondContact O-OG1 3.16Å | ||
| 193 | T | 47.5 | Very low | 61.7 | Low | 138 Ų | 138 | 99.9 Ų | 99.9 | 85% | 0.847 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -23.7 | -176.5 | 45.7 | 0 | 0 | 0 | 0 | 115.3 | T196 | T193-T196 PolarHBondContact O-OG1 3.46Š|
| 194 | A | 43.3 | Very low | 62.1 | Low | 99 Ų | 99 | 94.9 Ų | 94.9 | 82% | 0.818 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -8.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S192 | S192-A194 VanDerWaalsContact C-N 3.31Å; S192-A194 PolarHBondContact O-N 3.27Å |
| 195 | R | 47.6 | Very low | 63.1 | Low | 197 Ų | 197 | 89.8 Ų | 89.8 | 74% | 0.743 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 8.6 | 178.8 | -105.9 | -175.8 | -178.3 | 175.9 | 1.9 | 113.2 | S192 T197 | S192-R195 PolarHBondContact O-N 3.18Å; S192-R195 WeakPolarHBondContact OG-CB 3.15Å; R195-T197 VanDerWaalsContact C-N 3.26Å; R195-T197 HydrophobicContact CB-CG2 4.47Å; R195-T197 HydrophobicContact CG-CG2 4.2Å; R195-T197 WeakPolarHBondContact O-CA 3.31Å; R195-T197 WeakPolarHBondContact O-CB 3.24Å; R195-T197 VanDerWaalsContact O-CG2 3.25Å; R195-T197 WeakPolarHBondContact O-CG2 3.37Å; R195-T197 PolarHBondContact O-N 3.18Å; R195-T197 PolarHBondContact O-OG1 3.13Å |
| 196 | T | 53.9 | Low | 64.3 | Low | 67 Ų | 67 | 91 Ų | 91 | 41% | 0.411 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -63.4 | 91.3 | 151.1 | 32.2 | 0 | 0 | 0 | 0 | 107.8 | L181 S192 T193 | L181-T196 HydrophobicContact CD2-CG2 3.98Å; S192-T196 PolarHBondContact O-N 3.04Å; S192-T196 VanDerWaalsContact O-N 3.08Å; S192-T196 PolarHBondContact O-OG1 3.16Å; T193-T196 PolarHBondContact O-OG1 3.46Å |
| 197 | T | 69.6 | Low | 65.6 | Low | 62 Ų | 62 | 87 Ų | 87 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | trans | -97.4 | 174.7 | -134.7 | 2.6 | 0 | 0 | 0 | 0 | 113.8 | R195 K199 T200 N201 | R195-T197 VanDerWaalsContact C-N 3.26Å; R195-T197 HydrophobicContact CB-CG2 4.47Å; R195-T197 HydrophobicContact CG-CG2 4.2Å; R195-T197 WeakPolarHBondContact O-CA 3.31Å; R195-T197 WeakPolarHBondContact O-CB 3.24Å; R195-T197 VanDerWaalsContact O-CG2 3.25Å; R195-T197 WeakPolarHBondContact O-CG2 3.37Å; R195-T197 PolarHBondContact O-N 3.18Å; R195-T197 PolarHBondContact O-OG1 3.13Å; T197-K199 CarbonylContact O-C 3.6Å; T197-K199 PolarHBondContact O-N 3Å; T197-T200 PolarHBondContact N-OG1 2.68Å; T197-T200 WeakPolarHBondContact O-CA 3.33Å; T197-T200 VanDerWaalsContact O-CB 3.31Å; T197-T200 WeakPolarHBondContact O-CB 3.46Å; T197-T200 PolarHBondContact O-N 2.99Å; T197-N201 PolarHBondContact O-N 2.94Å | ||
| 198 | K | 78.1 | Confident | 67.5 | Low | 87 Ų | 87 | 83.1 Ų | 83.1 | 38% | 0.378 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -32.1 | -40.3 | 156.4 | -67.1 | -177.5 | 165.7 | -173.8 | 0 | 114.2 | E157 F161 N201 L202 | E157-K198 IonicContact OE1-NZ 3.8Å; E157-K198 PolarHBondContact OE1-NZ 3.22Å; F161-K198 HydrophobicContact CB-CG 4.31Å; F161-K198 HydrophobicContact CD1-CB 3.89Å; F161-K198 HydrophobicContact CD1-CD 4.47Å; F161-K198 HydrophobicContact CD1-CG 3.8Å; F161-K198 HydrophobicContact CD2-CB 4.3Å; F161-K198 HydrophobicContact CD2-CD 3.47Å; F161-K198 VanDerWaalsContact CD2-CD 3.47Å; F161-K198 HydrophobicContact CD2-CG 3.72Å; F161-K198 HydrophobicContact CE1-CB 3.62Å; F161-K198 HydrophobicContact CE1-CG 4.01Å; F161-K198 WeakPolarHBondContact CE1-O 3.48Å; F161-K198 HydrophobicContact CE2-CB 4.06Å; F161-K198 HydrophobicContact CE2-CD 3.6Å; F161-K198 HydrophobicContact CE2-CG 3.94Å; F161-K198 HydrophobicContact CG-CB 4.24Å; F161-K198 HydrophobicContact CG-CD 3.96Å; F161-K198 HydrophobicContact CG-CG 3.66Å; F161-K198 HydrophobicContact CZ-CB 3.72Å; F161-K198 HydrophobicContact CZ-CD 4.17Å; F161-K198 HydrophobicContact CZ-CG 4.08Å; K198-N201 PolarHBondContact O-N 3.11Å; K198-L202 VanDerWaalsContact O-CB 3.25Å; K198-L202 WeakPolarHBondContact O-CB 3.44Å; K198-L202 PolarHBondContact O-N 3.28Å |
| 199 | K | 81.3 | Confident | 69.4 | Low | 157 Ų | 157 | 83.5 Ų | 83.5 | 68% | 0.683 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.7 | -39.8 | 175.5 | -175.2 | 177.1 | -179.1 | 178.8 | 0 | 114.3 | T197 S203 | T197-K199 CarbonylContact O-C 3.6Å; T197-K199 PolarHBondContact O-N 3Å; K199-S203 WeakPolarHBondContact O-CB 3.38Å; K199-S203 PolarHBondContact O-N 3.08Å |
| 200 | T | 82.9 | Confident | 71.2 | Confident | 18 Ų | 18 | 81.7 Ų | 81.7 | 11% | 0.11 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -63.1 | -54.1 | 172.5 | -56.9 | 0 | 0 | 0 | 0 | 109.4 | Y180 L181 T197 L202 S203 V204 | Y180-T200 HydrophobicContact CD1-CG2 3.75Å; Y180-T200 HydrophobicContact CE1-CG2 3.86Å; L181-T200 HydrophobicContact CD2-CG2 3.69Å; L181-T200 HydrophobicContact CG-CG2 4.16Å; T197-T200 PolarHBondContact N-OG1 2.68Å; T197-T200 WeakPolarHBondContact O-CA 3.33Å; T197-T200 VanDerWaalsContact O-CB 3.31Å; T197-T200 WeakPolarHBondContact O-CB 3.46Å; T197-T200 PolarHBondContact O-N 2.99Å; T200-L202 VanDerWaalsContact C-N 3.34Å; T200-L202 PolarHBondContact O-N 2.75Å; T200-S203 CarbonylContact O-C 3.52Å; T200-S203 PolarHBondContact O-N 3.1Å; T200-V204 HydrophobicContact CG2-CG2 4.36Å; T200-V204 WeakPolarHBondContact O-CG2 3.32Å; T200-V204 PolarHBondContact O-N 2.72Å |
| 201 | N | 85.1 | Confident | 73.2 | Confident | 6 Ų | 6 | 83.4 Ų | 83.4 | 3% | 0.032 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57.5 | -46.5 | -179.6 | -71.1 | 16.6 | 0 | 0 | 0 | 111.4 | I164 D165 L168 R177 T197 K198 S203 V204 V205 | I164-N201 HydrophobicContact CG2-CB 3.92Å; D165-N201 PolarHBondContact OD1-ND2 3.14Å; L168-N201 HydrophobicContact CD1-CB 3.82Å; R177-N201 PolarHBondContact NH2-OD1 2.73Å; T197-N201 PolarHBondContact O-N 2.94Å; K198-N201 PolarHBondContact O-N 3.11Å; N201-S203 VanDerWaalsContact C-N 3.32Å; N201-S203 PolarHBondContact O-N 3.01Å; N201-V204 PolarHBondContact O-N 3.41Å; N201-V205 WeakPolarHBondContact O-CG2 3.14Å; N201-V205 PolarHBondContact O-N 2.99Å |
| 202 | L | 86.7 | Confident | 75.2 | Confident | 103 Ų | 103 | 80.6 Ų | 80.6 | 54% | 0.539 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 175.4 | -173.7 | 66.6 | 0 | 0 | 0 | 112.6 | K198 T200 H206 | K198-L202 VanDerWaalsContact O-CB 3.25Å; K198-L202 WeakPolarHBondContact O-CB 3.44Å; K198-L202 PolarHBondContact O-N 3.28Å; T200-L202 VanDerWaalsContact C-N 3.34Å; T200-L202 PolarHBondContact O-N 2.75Å; L202-H206 VanDerWaalsContact O-CB 3.25Å; L202-H206 WeakPolarHBondContact O-CB 3.39Å; L202-H206 PolarHBondContact O-N 3.48Å |
| 203 | S | 85.2 | Confident | 77.1 | Confident | 35 Ų | 35 | 81.4 Ų | 81.4 | 25% | 0.245 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -72.8 | -32.7 | 177 | -169.3 | 0 | 0 | 0 | 0 | 113.1 | Y180 K199 T200 N201 T207 | Y180-S203 VanDerWaalsContact CZ-OG 3.3Å; Y180-S203 WeakPolarHBondContact OH-CB 3.22Å; Y180-S203 PolarHBondContact OH-OG 3.04Å; K199-S203 WeakPolarHBondContact O-CB 3.38Å; K199-S203 PolarHBondContact O-N 3.08Å; T200-S203 CarbonylContact O-C 3.52Å; T200-S203 PolarHBondContact O-N 3.1Å; N201-S203 VanDerWaalsContact C-N 3.32Å; N201-S203 PolarHBondContact O-N 3.01Å; S203-T207 WeakPolarHBondContact O-CB 3.44Å; S203-T207 PolarHBondContact O-N 3.32Å; S203-T207 PolarHBondContact O-OG1 3.24Å |
| 204 | V | 87.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.1 | -48.6 | 174 | 172.5 | 0 | 0 | 0 | 0 | 109.2 | L168 I176 R177 Y180 T200 N201 H206 T207 I208 | L168-V204 HydrophobicContact CD1-CB 4.18Å; L168-V204 HydrophobicContact CD1-CG1 4.08Å; L168-V204 HydrophobicContact CD2-CG1 3.74Å; I176-V204 HydrophobicContact CG2-CG1 4.31Å; R177-V204 HydrophobicContact CB-CG1 4.28Å; Y180-V204 HydrophobicContact CD1-CG2 3.61Å; Y180-V204 HydrophobicContact CD2-CG2 4.34Å; Y180-V204 HydrophobicContact CE1-CG2 4.3Å; Y180-V204 HydrophobicContact CG-CG2 3.65Å; T200-V204 HydrophobicContact CG2-CG2 4.36Å; T200-V204 WeakPolarHBondContact O-CG2 3.32Å; T200-V204 PolarHBondContact O-N 2.72Å; N201-V204 PolarHBondContact O-N 3.41Å; V204-H206 PolarHBondContact O-N 2.92Å; V204-T207 WeakPolarHBondContact O-CB 3.38Å; V204-T207 PolarHBondContact O-N 2.86Å; V204-T207 VanDerWaalsContact O-N 3.1Å; V204-I208 HydrophobicContact CG1-CD1 3.68Å; V204-I208 HydrophobicContact CG1-CG1 4.45Å; V204-I208 WeakPolarHBondContact O-CG1 3.46Å; V204-I208 PolarHBondContact O-N 3.15Å |
| 205 | V | 90.2 | Very high | 80.5 | Confident | 46 Ų | 46 | 76 Ų | 76 | 28% | 0.279 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.4 | -49.9 | 172.6 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | I164 L168 N201 T207 I208 V209 | I164-V205 HydrophobicContact CG2-CG2 3.67Å; L168-V205 HydrophobicContact CD1-CG2 4.17Å; L168-V205 HydrophobicContact CD2-CG2 4.29Å; L168-V205 HydrophobicContact CG-CG2 4.41Å; N201-V205 WeakPolarHBondContact O-CG2 3.14Å; N201-V205 PolarHBondContact O-N 2.99Å; V205-T207 PolarHBondContact O-N 3.08Å; V205-I208 PolarHBondContact O-N 3.4Å; V205-V209 HydrophobicContact CG1-CG2 4.17Å; V205-V209 WeakPolarHBondContact O-CB 3.38Å; V205-V209 WeakPolarHBondContact O-CG2 3.41Å; V205-V209 PolarHBondContact O-N 3.21Å |
| 206 | H | 86.8 | Confident | 82.2 | Confident | 115 Ų | 115 | 71.9 Ų | 71.9 | 53% | 0.532 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.2 | -37.7 | 177.6 | 176.8 | -81.4 | 0 | 0 | 0 | 112.3 | L202 V204 R210 | L202-H206 VanDerWaalsContact O-CB 3.25Å; L202-H206 WeakPolarHBondContact O-CB 3.39Å; L202-H206 PolarHBondContact O-N 3.48Å; V204-H206 PolarHBondContact O-N 2.92Å; H206-R210 VanDerWaalsContact O-CB 3.3Å; H206-R210 WeakPolarHBondContact O-CB 3.45Å; H206-R210 PolarHBondContact O-N 2.71Å |
| 207 | T | 84.9 | Confident | 83.5 | Confident | 41 Ų | 41 | 71.6 Ų | 71.6 | 25% | 0.252 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68 | -47.8 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 111 | S203 V204 V205 R210 F211 | S203-T207 WeakPolarHBondContact O-CB 3.44Å; S203-T207 PolarHBondContact O-N 3.32Å; S203-T207 PolarHBondContact O-OG1 3.24Å; V204-T207 WeakPolarHBondContact O-CB 3.38Å; V204-T207 PolarHBondContact O-N 2.86Å; V204-T207 VanDerWaalsContact O-N 3.1Å; V205-T207 PolarHBondContact O-N 3.08Å; T207-R210 PolarHBondContact O-N 3.24Å; T207-F211 HydrophobicContact CG2-CD2 3.73Å; T207-F211 HydrophobicContact CG2-CE2 3.54Å; T207-F211 WeakPolarHBondContact O-CD2 3.26Å; T207-F211 PolarHBondContact O-N 3.48Å |
| 208 | I | 87 | Confident | 83.9 | Confident | 37 Ų | 37 | 72 Ų | 72 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 176 | -66.6 | 157.7 | 0 | 0 | 0 | 110.8 | L168 L173 I176 V204 V205 R210 F211 R212 | L168-I208 HydrophobicContact CD2-CD1 3.62Å; L173-I208 HydrophobicContact CD2-CD1 3.95Å; L173-I208 HydrophobicContact CD2-CG1 4.41Å; L173-I208 HydrophobicContact CD2-CG2 4.32Å; I176-I208 HydrophobicContact CD1-CG1 4.01Å; I176-I208 HydrophobicContact CG2-CG1 4.2Å; V204-I208 HydrophobicContact CG1-CD1 3.68Å; V204-I208 HydrophobicContact CG1-CG1 4.45Å; V204-I208 WeakPolarHBondContact O-CG1 3.46Å; V204-I208 PolarHBondContact O-N 3.15Å; V205-I208 PolarHBondContact O-N 3.4Å; I208-R210 VanDerWaalsContact C-N 3.34Å; I208-R210 PolarHBondContact O-N 3.3Å; I208-F211 PolarHBondContact O-N 3.07Å; I208-F211 VanDerWaalsContact O-N 3.17Å; I208-R212 PolarHBondContact O-N 3.32Å |
| 209 | V | 88.6 | Confident | 84.3 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 44% | 0.442 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 178.1 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | V205 F211 R212 I213 | V205-V209 HydrophobicContact CG1-CG2 4.17Å; V205-V209 WeakPolarHBondContact O-CB 3.38Å; V205-V209 WeakPolarHBondContact O-CG2 3.41Å; V205-V209 PolarHBondContact O-N 3.21Å; V209-F211 VanDerWaalsContact C-N 3.34Å; V209-F211 PolarHBondContact O-N 3.26Å; V209-R212 PolarHBondContact O-N 3.48Å; V209-I213 HydrophobicContact CG1-CD1 3.72Å; V209-I213 HydrophobicContact CG1-CG1 4.4Å; V209-I213 WeakPolarHBondContact O-CB 3.47Å; V209-I213 VanDerWaalsContact O-CG1 3.27Å; V209-I213 WeakPolarHBondContact O-CG1 3.43Å; V209-I213 PolarHBondContact O-N 2.63Å |
| 210 | R | 83.4 | Confident | 84.5 | Confident | 115 Ų | 115 | 67.6 Ų | 67.6 | 43% | 0.434 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 176.3 | -173.6 | 177.5 | -179.1 | -173.1 | -1.3 | 112.3 | H206 T207 I208 K214 F265 | H206-R210 VanDerWaalsContact O-CB 3.3Å; H206-R210 WeakPolarHBondContact O-CB 3.45Å; H206-R210 PolarHBondContact O-N 2.71Å; T207-R210 PolarHBondContact O-N 3.24Å; I208-R210 VanDerWaalsContact C-N 3.34Å; I208-R210 PolarHBondContact O-N 3.3Å; R210-K214 WeakPolarHBondContact O-CG 3.21Å; R210-K214 PolarHBondContact O-N 3.29Å; R210-F265 HydrophobicContact CG-CE2 4.35Å |
| 211 | F | 82.8 | Confident | 84.5 | Confident | 131 Ų | 131 | 68.5 Ų | 68.5 | 58% | 0.575 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.3 | -45.9 | 174.4 | -82.9 | -66.1 | 0 | 0 | 0 | 111.9 | T207 I208 V209 I213 K214 E215 | T207-F211 HydrophobicContact CG2-CD2 3.73Å; T207-F211 HydrophobicContact CG2-CE2 3.54Å; T207-F211 WeakPolarHBondContact O-CD2 3.26Å; T207-F211 PolarHBondContact O-N 3.48Å; I208-F211 PolarHBondContact O-N 3.07Å; I208-F211 VanDerWaalsContact O-N 3.17Å; V209-F211 VanDerWaalsContact C-N 3.34Å; V209-F211 PolarHBondContact O-N 3.26Å; F211-I213 VanDerWaalsContact C-N 3.34Å; F211-I213 PolarHBondContact O-N 3.2Å; F211-K214 WeakPolarHBondContact O-CB 3.42Å; F211-K214 PolarHBondContact O-N 2.9Å; F211-K214 VanDerWaalsContact O-N 3.07Å; F211-E215 PolarHBondContact O-N 3.1Å |
| 212 | R | 84.8 | Confident | 84.5 | Confident | 99 Ų | 99 | 72.3 Ų | 72.3 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 180 | -171.5 | 59.3 | -177.9 | 166.9 | 12.7 | 112.8 | I208 V209 E215 Y216 | I208-R212 PolarHBondContact O-N 3.32Å; V209-R212 PolarHBondContact O-N 3.48Å; R212-E215 WeakPolarHBondContact CD-OE2 3.41Å; R212-E215 IonicContact CZ-OE2 3.41Å; R212-E215 IonicContact NE-OE2 3.16Å; R212-E215 IonicContact NH1-OE1 2.65Å; R212-E215 PolarHBondContact NH1-OE1 2.71Å; R212-E215 IonicContact NH1-OE2 3.21Å; R212-E215 PolarHBondContact NH1-OE2 2.75Å; R212-E215 PolarHBondContact O-N 3Å; R212-Y216 WeakPolarHBondContact O-CB 3.36Å; R212-Y216 PolarHBondContact O-N 2.93Å |
| 213 | I | 81.3 | Confident | 84.6 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 43% | 0.431 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 172.2 | -68.5 | 167.2 | 0 | 0 | 0 | 111 | V209 F211 L217 F265 | V209-I213 HydrophobicContact CG1-CD1 3.72Å; V209-I213 HydrophobicContact CG1-CG1 4.4Å; V209-I213 WeakPolarHBondContact O-CB 3.47Å; V209-I213 VanDerWaalsContact O-CG1 3.27Å; V209-I213 WeakPolarHBondContact O-CG1 3.43Å; V209-I213 PolarHBondContact O-N 2.63Å; F211-I213 VanDerWaalsContact C-N 3.34Å; F211-I213 PolarHBondContact O-N 3.2Å; I213-L217 HydrophobicContact CG2-CD1 3.83Å; I213-L217 WeakPolarHBondContact O-CB 3.47Å; I213-L217 WeakPolarHBondContact O-CD1 3.48Å; I213-L217 VanDerWaalsContact O-CG 3.26Å; I213-L217 WeakPolarHBondContact O-CG 3.42Å; I213-L217 PolarHBondContact O-N 3.14Å; I213-L217 VanDerWaalsContact O-N 3.08Å; I213-F265 HydrophobicContact CG2-CZ 4.02Å |
| 214 | K | 80 | Confident | 84.7 | Confident | 34 Ų | 34 | 73.6 Ų | 73.6 | 15% | 0.148 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 176 | -77.9 | -178.6 | 166 | -168.6 | 0 | 112.2 | R210 F211 L217 I218 F265 D268 L269 | R210-K214 WeakPolarHBondContact O-CG 3.21Å; R210-K214 PolarHBondContact O-N 3.29Å; F211-K214 WeakPolarHBondContact O-CB 3.42Å; F211-K214 PolarHBondContact O-N 2.9Å; F211-K214 VanDerWaalsContact O-N 3.07Å; K214-L217 PolarHBondContact O-N 3.4Å; K214-I218 WeakPolarHBondContact O-CG1 3.42Å; K214-I218 PolarHBondContact O-N 3.09Å; K214-F265 HydrophobicContact CG-CE1 3.93Å; K214-F265 HydrophobicContact CG-CE2 4.23Å; K214-F265 HydrophobicContact CG-CZ 3.54Å; K214-D268 VanDerWaalsContact NZ-CB 3.31Å; K214-D268 VanDerWaalsContact NZ-CG 3.3Å; K214-D268 IonicContact NZ-OD2 3.84Å; K214-D268 PolarHBondContact NZ-OD2 3.37Å; K214-L269 HydrophobicContact CB-CD2 3.93Å; K214-L269 HydrophobicContact CG-CD2 4.01Å; K214-L269 WeakPolarHBondContact O-CD2 3.22Å |
| 215 | E | 82.4 | Confident | 84.7 | Confident | 90 Ų | 90 | 74.6 Ų | 74.6 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.1 | -51.7 | 177.1 | -174.2 | -179.7 | -157.8 | 0 | 0 | 111.1 | F211 R212 L217 I218 E219 | F211-E215 PolarHBondContact O-N 3.1Å; R212-E215 WeakPolarHBondContact CD-OE2 3.41Å; R212-E215 IonicContact CZ-OE2 3.41Å; R212-E215 IonicContact NE-OE2 3.16Å; R212-E215 IonicContact NH1-OE1 2.65Å; R212-E215 PolarHBondContact NH1-OE1 2.71Å; R212-E215 IonicContact NH1-OE2 3.21Å; R212-E215 PolarHBondContact NH1-OE2 2.75Å; R212-E215 PolarHBondContact O-N 3Å; E215-L217 VanDerWaalsContact C-N 3.28Å; E215-L217 PolarHBondContact O-N 3.35Å; E215-I218 WeakPolarHBondContact O-CB 3.27Å; E215-I218 PolarHBondContact O-N 3.35Å; E215-E219 PolarHBondContact O-N 3.12Å |
| 216 | Y | 83.3 | Confident | 84.7 | Confident | 110 Ų | 110 | 78.9 Ų | 78.9 | 43% | 0.431 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.1 | -38.6 | 175.8 | 179.6 | -101.8 | 0 | 0 | 0 | 113.2 | R212 E219 L220 | R212-Y216 WeakPolarHBondContact O-CB 3.36Å; R212-Y216 PolarHBondContact O-N 2.93Å; Y216-E219 PolarHBondContact O-N 2.94Å; Y216-L220 HydrophobicContact CE1-CD2 4.43Å; Y216-L220 VanDerWaalsContact O-CB 3.24Å; Y216-L220 WeakPolarHBondContact O-CB 3.38Å; Y216-L220 PolarHBondContact O-N 2.83Å |
| 217 | L | 81.8 | Confident | 84.9 | Confident | 61 Ų | 61 | 76.2 Ų | 76.2 | 32% | 0.319 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.1 | -25.9 | 177.5 | -71.9 | 167.2 | 0 | 0 | 0 | 113.1 | I213 K214 E215 L220 R221 F265 L269 | I213-L217 HydrophobicContact CG2-CD1 3.83Å; I213-L217 WeakPolarHBondContact O-CB 3.47Å; I213-L217 WeakPolarHBondContact O-CD1 3.48Å; I213-L217 VanDerWaalsContact O-CG 3.26Å; I213-L217 WeakPolarHBondContact O-CG 3.42Å; I213-L217 PolarHBondContact O-N 3.14Å; I213-L217 VanDerWaalsContact O-N 3.08Å; K214-L217 PolarHBondContact O-N 3.4Å; E215-L217 VanDerWaalsContact C-N 3.28Å; E215-L217 PolarHBondContact O-N 3.35Å; L217-L220 HydrophobicContact CD2-CD2 4.41Å; L217-R221 WeakPolarHBondContact O-CB 3.33Å; L217-R221 PolarHBondContact O-N 3.42Å; L217-F265 HydrophobicContact CD1-CE1 3.65Å; L217-F265 HydrophobicContact CD1-CZ 4.36Å; L217-L269 HydrophobicContact CB-CD1 4.02Å; L217-L269 HydrophobicContact CB-CD2 4.21Å; L217-L269 HydrophobicContact CD1-CD1 4.22Å |
| 218 | I | 79.1 | Confident | 85.3 | Confident | 70 Ų | 70 | 75 Ų | 75 | 36% | 0.359 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.5 | -50.2 | 169.7 | -66.8 | 162.8 | 0 | 0 | 0 | 109.5 | K214 E215 L220 R221 E222 L269 | K214-I218 WeakPolarHBondContact O-CG1 3.42Å; K214-I218 PolarHBondContact O-N 3.09Å; E215-I218 WeakPolarHBondContact O-CB 3.27Å; E215-I218 PolarHBondContact O-N 3.35Å; I218-L220 PolarHBondContact O-N 3.27Å; I218-R221 WeakPolarHBondContact O-CB 3.49Å; I218-R221 PolarHBondContact O-N 3.16Å; I218-R221 VanDerWaalsContact O-N 3.12Å; I218-E222 WeakPolarHBondContact O-CG 3.22Å; I218-E222 PolarHBondContact O-N 2.84Å; I218-L269 HydrophobicContact CD1-CD2 4.33Å; I218-L269 HydrophobicContact CG1-CD2 3.94Å |
| 219 | E | 84.5 | Confident | 85.5 | Confident | 84 Ų | 84 | 74.9 Ų | 74.9 | 39% | 0.393 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -55.7 | -48 | 177.2 | -69.6 | 174.8 | 165 | 0 | 0 | 111.9 | E215 Y216 R221 E222 H223 | E215-E219 PolarHBondContact O-N 3.12Å; Y216-E219 PolarHBondContact O-N 2.94Å; E219-R221 VanDerWaalsContact C-N 3.32Å; E219-R221 PolarHBondContact O-N 3.4Å; E219-E222 PolarHBondContact O-N 3.44Å; E219-H223 WeakPolarHBondContact O-CB 3.3Å; E219-H223 PolarHBondContact O-N 3.42Å |
| 220 | L | 86.3 | Confident | 85.6 | Confident | 68 Ų | 68 | 75.4 Ų | 75.4 | 36% | 0.356 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 176.9 | 179.4 | 62.6 | 0 | 0 | 0 | 111.8 | Y216 L217 I218 H223 I224 | Y216-L220 HydrophobicContact CE1-CD2 4.43Å; Y216-L220 VanDerWaalsContact O-CB 3.24Å; Y216-L220 WeakPolarHBondContact O-CB 3.38Å; Y216-L220 PolarHBondContact O-N 2.83Å; L217-L220 HydrophobicContact CD2-CD2 4.41Å; I218-L220 PolarHBondContact O-N 3.27Å; L220-H223 PolarHBondContact O-N 3.2Å; L220-I224 HydrophobicContact CD1-CD1 4.43Å; L220-I224 HydrophobicContact CG-CD1 4.18Å; L220-I224 VanDerWaalsContact O-CG1 3.31Å; L220-I224 WeakPolarHBondContact O-CG1 3.26Å; L220-I224 PolarHBondContact O-N 2.98Å |
| 221 | R | 82.9 | Confident | 86 | Confident | 36 Ų | 36 | 72.3 Ų | 72.3 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 178.2 | -179.7 | 175.2 | -175.8 | -92.5 | -6 | 112 | L217 I218 E219 H223 I224 H225 E274 | L217-R221 WeakPolarHBondContact O-CB 3.33Å; L217-R221 PolarHBondContact O-N 3.42Å; I218-R221 WeakPolarHBondContact O-CB 3.49Å; I218-R221 PolarHBondContact O-N 3.16Å; I218-R221 VanDerWaalsContact O-N 3.12Å; E219-R221 VanDerWaalsContact C-N 3.32Å; E219-R221 PolarHBondContact O-N 3.4Å; R221-H223 VanDerWaalsContact C-N 3.3Å; R221-H223 PolarHBondContact O-N 2.88Å; R221-I224 PolarHBondContact O-N 2.89Å; R221-H225 PolarHBondContact NH2-CE1 3.15Å; R221-H225 WeakPolarHBondContact O-CB 3.46Å; R221-H225 PolarHBondContact O-CD2 2.98Å; R221-H225 PolarHBondContact O-N 3.32Å; R221-E274 IonicContact CZ-OE1 2.82Å; R221-E274 IonicContact CZ-OE2 3.25Å; R221-E274 IonicContact NH1-OE1 3.67Å; R221-E274 PolarHBondContact NH1-OE1 2.84Å; R221-E274 IonicContact NH1-OE2 3.14Å; R221-E274 PolarHBondContact NH1-OE2 2.66Å; R221-E274 IonicContact NH2-OE1 2.77Å; R221-E274 PolarHBondContact NH2-OE1 2.89Å; R221-E274 IonicContact NH2-OE2 2.66Å; R221-E274 PolarHBondContact NH2-OE2 3.13Å |
| 222 | E | 86.3 | Confident | 86.5 | Confident | 86 Ų | 86 | 66.1 Ų | 66.1 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 173.9 | -68.3 | -174.1 | 173.7 | 0 | 0 | 111.9 | I218 E219 H225 R226 | I218-E222 WeakPolarHBondContact O-CG 3.22Å; I218-E222 PolarHBondContact O-N 2.84Å; E219-E222 PolarHBondContact O-N 3.44Å; E222-H225 PolarHBondContact O-N 3.17Å; E222-R226 VanDerWaalsContact CB-NH1 3.32Å; E222-R226 VanDerWaalsContact O-CG 3.28Å; E222-R226 WeakPolarHBondContact O-CG 3.3Å; E222-R226 PolarHBondContact O-N 3.13Å; E222-R226 IonicContact OE2-CZ 3.43Å; E222-R226 IonicContact OE2-NH1 3.34Å; E222-R226 PolarHBondContact OE2-NH1 3.16Å; E222-R226 IonicContact OE2-NH2 2.69Å; E222-R226 PolarHBondContact OE2-NH2 2.9Å |
| 223 | H | 87.1 | Confident | 86.8 | Confident | 86 Ų | 86 | 67.1 Ų | 67.1 | 40% | 0.398 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 174.2 | 178 | 77.8 | 0 | 0 | 0 | 111.6 | E219 L220 R221 H225 R226 T227 | E219-H223 WeakPolarHBondContact O-CB 3.3Å; E219-H223 PolarHBondContact O-N 3.42Å; L220-H223 PolarHBondContact O-N 3.2Å; R221-H223 VanDerWaalsContact C-N 3.3Å; R221-H223 PolarHBondContact O-N 2.88Å; H223-H225 VanDerWaalsContact C-N 3.28Å; H223-H225 PolarHBondContact O-N 2.94Å; H223-R226 PolarHBondContact O-N 3.36Å; H223-T227 WeakPolarHBondContact O-CB 3.39Å; H223-T227 PolarHBondContact O-N 3.27Å; H223-T227 PolarHBondContact O-OG1 2.81Å; H223-T227 VanDerWaalsContact O-OG1 3.1Å |
| 224 | I | 87.1 | Confident | 87.2 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.5 | -44.8 | 173.5 | -69.2 | 163.3 | 0 | 0 | 0 | 110.5 | L220 R221 T227 L228 | L220-I224 HydrophobicContact CD1-CD1 4.43Å; L220-I224 HydrophobicContact CG-CD1 4.18Å; L220-I224 VanDerWaalsContact O-CG1 3.31Å; L220-I224 WeakPolarHBondContact O-CG1 3.26Å; L220-I224 PolarHBondContact O-N 2.98Å; R221-I224 PolarHBondContact O-N 2.89Å; I224-T227 PolarHBondContact O-N 3.5Å; I224-L228 HydrophobicContact CG2-CD1 3.84Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 WeakPolarHBondContact O-CB 3.36Å; I224-L228 VanDerWaalsContact O-CG 3.29Å; I224-L228 WeakPolarHBondContact O-CG 3.38Å; I224-L228 PolarHBondContact O-N 3.49Å |
| 225 | H | 89.1 | Confident | 87.7 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 10% | 0.102 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 177.7 | -77.7 | -161.9 | 0 | 0 | 0 | 112.7 | R221 E222 H223 T227 L228 D229 R244 E274 | R221-H225 PolarHBondContact NH2-CE1 3.15Å; R221-H225 WeakPolarHBondContact O-CB 3.46Å; R221-H225 PolarHBondContact O-CD2 2.98Å; R221-H225 PolarHBondContact O-N 3.32Å; E222-H225 PolarHBondContact O-N 3.17Å; H223-H225 VanDerWaalsContact C-N 3.28Å; H223-H225 PolarHBondContact O-N 2.94Å; H225-T227 VanDerWaalsContact C-N 3.31Å; H225-T227 PolarHBondContact O-N 3Å; H225-L228 PolarHBondContact O-N 2.71Å; H225-D229 WeakPolarHBondContact O-CB 3.19Å; H225-D229 PolarHBondContact O-N 3.22Å; H225-R244 PolarHBondContact CE1-NH2 2.71Å; H225-R244 VanDerWaalsContact ND1-CZ 3.28Å; H225-R244 PolarHBondContact ND1-NE 3.44Å; H225-R244 PolarHBondContact ND1-NH2 3.02Å; H225-R244 VanDerWaalsContact ND1-NH2 3.14Å; H225-E274 IonicContact CE1-OE1 3.92Å |
| 226 | R | 90.2 | Very high | 87.9 | Confident | 136 Ų | 136 | 69.4 Ų | 69.4 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 176.3 | -70.5 | 169.2 | -172.2 | 116.9 | 7.2 | 111.9 | E222 H223 T230 | E222-R226 VanDerWaalsContact CB-NH1 3.32Å; E222-R226 VanDerWaalsContact O-CG 3.28Å; E222-R226 WeakPolarHBondContact O-CG 3.3Å; E222-R226 PolarHBondContact O-N 3.13Å; E222-R226 IonicContact OE2-CZ 3.43Å; E222-R226 IonicContact OE2-NH1 3.34Å; E222-R226 PolarHBondContact OE2-NH1 3.16Å; E222-R226 IonicContact OE2-NH2 2.69Å; E222-R226 PolarHBondContact OE2-NH2 2.9Å; H223-R226 PolarHBondContact O-N 3.36Å; R226-T230 WeakPolarHBondContact O-CB 3.37Å; R226-T230 PolarHBondContact O-N 3.15Å; R226-T230 PolarHBondContact O-OG1 3.44Å |
| 227 | T | 91.1 | Very high | 88.1 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 36% | 0.362 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 177.6 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | H223 I224 H225 L231 | H223-T227 WeakPolarHBondContact O-CB 3.39Å; H223-T227 PolarHBondContact O-N 3.27Å; H223-T227 PolarHBondContact O-OG1 2.81Å; H223-T227 VanDerWaalsContact O-OG1 3.1Å; I224-T227 PolarHBondContact O-N 3.5Å; H225-T227 VanDerWaalsContact C-N 3.31Å; H225-T227 PolarHBondContact O-N 3Å; T227-L231 WeakPolarHBondContact O-CB 3.27Å; T227-L231 PolarHBondContact O-N 3.43Å |
| 228 | L | 91.9 | Very high | 88.4 | Confident | 15 Ų | 15 | 76.9 Ų | 76.9 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 174 | -71.8 | 172.2 | 0 | 0 | 0 | 112.3 | I224 H225 T230 L231 F232 R244 A248 L252 L254 | I224-L228 HydrophobicContact CG2-CD1 3.84Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 WeakPolarHBondContact O-CB 3.36Å; I224-L228 VanDerWaalsContact O-CG 3.29Å; I224-L228 WeakPolarHBondContact O-CG 3.38Å; I224-L228 PolarHBondContact O-N 3.49Å; H225-L228 PolarHBondContact O-N 2.71Å; L228-T230 VanDerWaalsContact C-N 3.31Å; L228-T230 PolarHBondContact O-N 3.14Å; L228-L231 PolarHBondContact O-N 3.03Å; L228-F232 HydrophobicContact CB-CD2 4.28Å; L228-F232 HydrophobicContact CB-CE2 3.95Å; L228-F232 HydrophobicContact CD2-CE2 4Å; L228-F232 HydrophobicContact CD2-CZ 4Å; L228-F232 HydrophobicContact CG-CE2 4.48Å; L228-F232 WeakPolarHBondContact O-CB 3.35Å; L228-F232 WeakPolarHBondContact O-CD2 3.35Å; L228-F232 VanDerWaalsContact O-CG 3.31Å; L228-F232 WeakPolarHBondContact O-CG 3.29Å; L228-F232 PolarHBondContact O-N 3.14Å; L228-R244 HydrophobicContact CB-CG 3.87Å; L228-R244 HydrophobicContact CD1-CG 4.06Å; L228-A248 HydrophobicContact CD1-CB 4.03Å; L228-A248 HydrophobicContact CD2-CB 4.33Å; L228-L252 HydrophobicContact CD2-CD1 3.43Å; L228-L252 VanDerWaalsContact CD2-CD1 3.43Å; L228-L254 HydrophobicContact CD2-CD1 4.37Å |
| 229 | D | 91.8 | Very high | 89 | Confident | 34 Ų | 34 | 74.3 Ų | 74.3 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 176.3 | -65.2 | -16.1 | 0 | 0 | 0 | 110 | H225 F232 H233 Y239 R244 | H225-D229 WeakPolarHBondContact O-CB 3.19Å; H225-D229 PolarHBondContact O-N 3.22Å; D229-F232 PolarHBondContact O-N 3.3Å; D229-H233 WeakPolarHBondContact O-CB 3.35Å; D229-H233 PolarHBondContact O-CD2 2.86Å; D229-H233 PolarHBondContact O-N 3.42Å; D229-Y239 HydrophobicContact CB-CE1 4.28Å; D229-Y239 PolarHBondContact OD1-OH 2.7Å; D229-R244 VanDerWaalsContact OD1-CD 3.27Å; D229-R244 WeakPolarHBondContact OD1-CD 3.44Å; D229-R244 IonicContact OD1-CZ 3.63Å; D229-R244 IonicContact OD1-NE 3.84Å; D229-R244 IonicContact OD1-NH1 2.74Å; D229-R244 PolarHBondContact OD1-NH1 2.88Å; D229-R244 IonicContact OD2-NH1 2.88Å; D229-R244 PolarHBondContact OD2-NH1 2.85Å |
| 230 | T | 90.9 | Very high | 89.2 | Confident | 84 Ų | 84 | 74.8 Ų | 74.8 | 52% | 0.515 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 175.8 | -56 | 0 | 0 | 0 | 0 | 111.6 | R226 L228 N234 | R226-T230 WeakPolarHBondContact O-CB 3.37Å; R226-T230 PolarHBondContact O-N 3.15Å; R226-T230 PolarHBondContact O-OG1 3.44Å; L228-T230 VanDerWaalsContact C-N 3.31Å; L228-T230 PolarHBondContact O-N 3.14Å; T230-N234 PolarHBondContact O-N 3.4Å; T230-N234 PolarHBondContact O-ND2 2.99Å |
| 231 | L | 92 | Very high | 89.3 | Confident | 51 Ų | 51 | 73.8 Ų | 73.8 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 177.5 | -179.5 | 66.2 | 0 | 0 | 0 | 111.3 | T227 L228 N234 L235 L252 L359 | T227-L231 WeakPolarHBondContact O-CB 3.27Å; T227-L231 PolarHBondContact O-N 3.43Å; L228-L231 PolarHBondContact O-N 3.03Å; L231-N234 PolarHBondContact O-N 2.98Å; L231-L235 HydrophobicContact CD1-CD1 3.88Å; L231-L235 HydrophobicContact CD1-CG 4.45Å; L231-L235 HydrophobicContact CG-CD1 3.85Å; L231-L235 WeakPolarHBondContact O-CG 3.31Å; L231-L235 PolarHBondContact O-N 3.32Å; L231-L235 VanDerWaalsContact O-N 3.16Å; L231-L252 HydrophobicContact CD2-CD1 4.15Å; L231-L252 HydrophobicContact CD2-CD2 4.49Å; L231-L359 HydrophobicContact CD1-CD2 4.48Å |
| 232 | F | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -76.1 | -33.3 | -176.2 | -60.9 | -42.2 | 0 | 0 | 0 | 113.5 | L228 D229 N234 L235 I236 Y239 R244 L247 A248 I251 L252 | L228-F232 HydrophobicContact CB-CD2 4.28Å; L228-F232 HydrophobicContact CB-CE2 3.95Å; L228-F232 HydrophobicContact CD2-CE2 4Å; L228-F232 HydrophobicContact CD2-CZ 4Å; L228-F232 HydrophobicContact CG-CE2 4.48Å; L228-F232 WeakPolarHBondContact O-CB 3.35Å; L228-F232 WeakPolarHBondContact O-CD2 3.35Å; L228-F232 VanDerWaalsContact O-CG 3.31Å; L228-F232 WeakPolarHBondContact O-CG 3.29Å; L228-F232 PolarHBondContact O-N 3.14Å; D229-F232 PolarHBondContact O-N 3.3Å; F232-N234 PolarHBondContact O-N 3.39Å; F232-L235 PolarHBondContact O-N 3.36Å; F232-L235 VanDerWaalsContact O-N 3.15Å; F232-I236 HydrophobicContact CD1-CD1 4.43Å; F232-I236 PolarHBondContact O-N 2.88Å; F232-Y239 HydrophobicContact CB-CD1 4.13Å; F232-Y239 HydrophobicContact CB-CD2 3.42Å; F232-Y239 VanDerWaalsContact CB-CD2 3.42Å; F232-Y239 HydrophobicContact CB-CE1 4.07Å; F232-Y239 HydrophobicContact CB-CE2 3.34Å; F232-Y239 HydrophobicContact CB-CG 3.82Å; F232-Y239 AromaticContact CD2-CE2 3.74Å; F232-Y239 HydrophobicContact CD2-CE2 3.74Å; F232-Y239 AromaticContact CD2-CZ 3.93Å; F232-Y239 HydrophobicContact CG-CD2 4.33Å; F232-Y239 AromaticContact CG-CE2 3.9Å; F232-Y239 HydrophobicContact CG-CE2 3.9Å; F232-R244 HydrophobicContact CE2-CG 4.3Å; F232-L247 HydrophobicContact CD1-CB 4.36Å; F232-L247 HydrophobicContact CD2-CB 4.19Å; F232-L247 HydrophobicContact CE1-CB 4.05Å; F232-L247 HydrophobicContact CE2-CB 3.83Å; F232-L247 HydrophobicContact CG-CB 4.46Å; F232-L247 HydrophobicContact CG-CD1 4.49Å; F232-L247 HydrophobicContact CZ-CB 3.77Å; F232-A248 HydrophobicContact CE2-CB 4.36Å; F232-A248 HydrophobicContact CZ-CB 4.29Å; F232-I251 HydrophobicContact CD1-CD1 4.27Å; F232-I251 HydrophobicContact CE1-CD1 3.89Å; F232-L252 HydrophobicContact CZ-CD1 4.35Å |
| 233 | H | 91.4 | Very high | 89.5 | Confident | 121 Ų | 121 | 77.8 Ų | 77.8 | 56% | 0.56 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.2 | -32.1 | 168.6 | -88 | -62.6 | 0 | 0 | 0 | 112.7 | D229 Y239 | D229-H233 WeakPolarHBondContact O-CB 3.35Å; D229-H233 PolarHBondContact O-CD2 2.86Å; D229-H233 PolarHBondContact O-N 3.42Å; H233-Y239 HydrophobicContact CB-CD1 4.44Å; H233-Y239 AromaticContact CD2-CD1 3.66Å; H233-Y239 AromaticContact CD2-CE1 3.94Å; H233-Y239 AromaticContact CE1-CD1 3.69Å; H233-Y239 AromaticContact CG-CD1 3.68Å; H233-Y239 AromaticContact ND1-CD1 3.71Å; H233-Y239 AromaticContact NE2-CD1 3.66Å; H233-Y239 AromaticContact NE2-CE1 3.98Å |
| 234 | N | 89.7 | Confident | 89.6 | Confident | 127 Ų | 127 | 75.2 Ų | 75.2 | 68% | 0.679 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -84.9 | -18.7 | 177.2 | -73.3 | -55.1 | 0 | 0 | 0 | 113.9 | T230 L231 F232 | T230-N234 PolarHBondContact O-N 3.4Å; T230-N234 PolarHBondContact O-ND2 2.99Å; L231-N234 PolarHBondContact O-N 2.98Å; F232-N234 PolarHBondContact O-N 3.39Å |
| 235 | L | 88.7 | Confident | 89.4 | Confident | 74 Ų | 74 | 74 Ų | 74 | 39% | 0.387 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -102.3 | -26.2 | -177 | -72.5 | 175.1 | 0 | 0 | 0 | 114.2 | L231 F232 | L231-L235 HydrophobicContact CD1-CD1 3.88Å; L231-L235 HydrophobicContact CD1-CG 4.45Å; L231-L235 HydrophobicContact CG-CD1 3.85Å; L231-L235 WeakPolarHBondContact O-CG 3.31Å; L231-L235 PolarHBondContact O-N 3.32Å; L231-L235 VanDerWaalsContact O-N 3.16Å; F232-L235 PolarHBondContact O-N 3.36Å; F232-L235 VanDerWaalsContact O-N 3.15Å |
| 236 | I | 87.7 | Confident | 89.2 | Confident | 54 Ų | 54 | 76.5 Ų | 76.5 | 28% | 0.277 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -131 | 115.5 | -167.6 | -59.7 | 169.3 | 0 | 0 | 0 | 110.1 | F232 N238 Y239 L247 I251 | F232-I236 HydrophobicContact CD1-CD1 4.43Å; F232-I236 PolarHBondContact O-N 2.88Å; I236-N238 PolarHBondContact O-N 3.47Å; I236-Y239 WeakPolarHBondContact O-CB 3.32Å; I236-Y239 PolarHBondContact O-N 3.36Å; I236-L247 HydrophobicContact CD1-CD1 3.66Å; I236-L247 HydrophobicContact CD1-CD2 3.72Å; I236-L247 HydrophobicContact CD1-CG 4.27Å; I236-I251 HydrophobicContact CD1-CD1 4.2Å |
| 237 | E | 87.4 | Confident | 89 | Confident | 180 Ų | 180 | 71.4 Ų | 71.4 | 84% | 0.841 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 131.7 | 169.2 | -65.4 | -179.6 | -173.6 | 0 | 0 | 110.3 | Y239 | E237-Y239 VanDerWaalsContact C-N 3.34Š|
| 238 | N | 87.6 | Confident | 88.8 | Confident | 149 Ų | 149 | 68.8 Ų | 68.8 | 80% | 0.797 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 31.7 | -175.3 | -42.5 | -76.7 | 0 | 0 | 0 | 114.6 | I236 E240 | I236-N238 PolarHBondContact O-N 3.47Å; N238-E240 PolarHBondContact O-N 2.97Å |
| 239 | Y | 91.5 | Very high | 88.5 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 6% | 0.063 | 37% | 0.369 | C | S | . | . | trans | -56.7 | 135.5 | 169.4 | 174.5 | -105.4 | 0 | 0 | 0 | 112.6 | D229 F232 H233 I236 E237 R244 L247 | D229-Y239 HydrophobicContact CB-CE1 4.28Å; D229-Y239 PolarHBondContact OD1-OH 2.7Å; F232-Y239 HydrophobicContact CB-CD1 4.13Å; F232-Y239 HydrophobicContact CB-CD2 3.42Å; F232-Y239 VanDerWaalsContact CB-CD2 3.42Å; F232-Y239 HydrophobicContact CB-CE1 4.07Å; F232-Y239 HydrophobicContact CB-CE2 3.34Å; F232-Y239 HydrophobicContact CB-CG 3.82Å; F232-Y239 AromaticContact CD2-CE2 3.74Å; F232-Y239 HydrophobicContact CD2-CE2 3.74Å; F232-Y239 AromaticContact CD2-CZ 3.93Å; F232-Y239 HydrophobicContact CG-CD2 4.33Å; F232-Y239 AromaticContact CG-CE2 3.9Å; F232-Y239 HydrophobicContact CG-CE2 3.9Å; H233-Y239 HydrophobicContact CB-CD1 4.44Å; H233-Y239 AromaticContact CD2-CD1 3.66Å; H233-Y239 AromaticContact CD2-CE1 3.94Å; H233-Y239 AromaticContact CE1-CD1 3.69Å; H233-Y239 AromaticContact CG-CD1 3.68Å; H233-Y239 AromaticContact ND1-CD1 3.71Å; H233-Y239 AromaticContact NE2-CD1 3.66Å; H233-Y239 AromaticContact NE2-CE1 3.98Å; I236-Y239 WeakPolarHBondContact O-CB 3.32Å; I236-Y239 PolarHBondContact O-N 3.36Å; E237-Y239 VanDerWaalsContact C-N 3.34Å; Y239-R244 WeakPolarHBondContact OH-CA 3.19Å; Y239-R244 VanDerWaalsContact OH-CB 3.25Å; Y239-R244 WeakPolarHBondContact OH-CB 3.41Å; Y239-L247 HydrophobicContact CD2-CD1 3.75Å; Y239-L247 HydrophobicContact CE2-CD1 3.66Å | ||
| 240 | E | 89.9 | Confident | 88 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | trans | -125.2 | 137.2 | 170.3 | -67 | -176.1 | -115.3 | 0 | 0 | 110.4 | N238 K242 F243 | N238-E240 PolarHBondContact O-N 2.97Å; E240-K242 HydrophobicContact CB-CD 4.42Å; E240-K242 HydrophobicContact CB-CG 4.05Å; E240-K242 VanDerWaalsContact CD-CE 3.42Å; E240-K242 PolarHBondContact O-N 2.92Å; E240-K242 VanDerWaalsContact OE1-CE 3.3Å; E240-K242 WeakPolarHBondContact OE1-CE 3.45Å; E240-K242 IonicContact OE1-NZ 2.66Å; E240-K242 PolarHBondContact OE1-NZ 2.82Å; E240-K242 WeakPolarHBondContact OE2-CD 3.49Å; E240-K242 WeakPolarHBondContact OE2-CE 3.25Å; E240-K242 IonicContact OE2-NZ 2.65Å; E240-K242 PolarHBondContact OE2-NZ 2.87Å; E240-F243 HydrophobicContact CB-CD2 3.89Å; E240-F243 HydrophobicContact CB-CE2 4.07Å; E240-F243 HydrophobicContact CG-CE2 4.46Å; E240-F243 PolarHBondContact O-N 3.42Å | ||
| 241 | A | 88.4 | Confident | 87.7 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 40% | 0.397 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -55.6 | -22.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F243 R244 | A241-F243 PolarHBondContact O-N 2.66Å; A241-R244 VanDerWaalsContact O-CB 3.31Å; A241-R244 WeakPolarHBondContact O-CB 3.43Å; A241-R244 PolarHBondContact O-N 3.47Å; A241-R244 VanDerWaalsContact O-N 3.12Å |
| 242 | K | 88.1 | Confident | 87.3 | Confident | 108 Ų | 108 | 77.2 Ų | 77.2 | 47% | 0.47 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -60.8 | -23.6 | 174.2 | 75.6 | -169.9 | -179.8 | -152.4 | 0 | 113.4 | E240 | E240-K242 HydrophobicContact CB-CD 4.42Å; E240-K242 HydrophobicContact CB-CG 4.05Å; E240-K242 VanDerWaalsContact CD-CE 3.42Å; E240-K242 PolarHBondContact O-N 2.92Å; E240-K242 VanDerWaalsContact OE1-CE 3.3Å; E240-K242 WeakPolarHBondContact OE1-CE 3.45Å; E240-K242 IonicContact OE1-NZ 2.66Å; E240-K242 PolarHBondContact OE1-NZ 2.82Å; E240-K242 WeakPolarHBondContact OE2-CD 3.49Å; E240-K242 WeakPolarHBondContact OE2-CE 3.25Å; E240-K242 IonicContact OE2-NZ 2.65Å; E240-K242 PolarHBondContact OE2-NZ 2.87Å |
| 243 | F | 84.7 | Confident | 86.6 | Confident | 97 Ų | 97 | 80.3 Ų | 80.3 | 43% | 0.425 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -93.7 | -7.1 | 178.5 | -57.6 | -60.2 | 0 | 0 | 0 | 113.7 | E240 A241 D245 S246 L247 | E240-F243 HydrophobicContact CB-CD2 3.89Å; E240-F243 HydrophobicContact CB-CE2 4.07Å; E240-F243 HydrophobicContact CG-CE2 4.46Å; E240-F243 PolarHBondContact O-N 3.42Å; A241-F243 PolarHBondContact O-N 2.66Å; F243-D245 PolarHBondContact O-N 3.38Å; F243-S246 WeakPolarHBondContact O-CB 3.39Å; F243-S246 PolarHBondContact O-N 3.23Å; F243-S246 VanDerWaalsContact O-N 3.14Å; F243-L247 HydrophobicContact CB-CD1 3.71Å; F243-L247 HydrophobicContact CB-CG 4.23Å; F243-L247 WeakPolarHBondContact O-CG 3.32Å; F243-L247 PolarHBondContact O-N 3.27Å |
| 244 | R | 89.4 | Confident | 85.7 | Confident | 32 Ų | 32 | 78.4 Ų | 78.4 | 12% | 0.121 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -44.4 | -57.4 | -175.8 | -179.7 | -178.8 | 38 | -118.3 | -2.7 | 112.5 | H225 L228 D229 F232 Y239 A241 S246 L247 A248 | H225-R244 PolarHBondContact CE1-NH2 2.71Å; H225-R244 VanDerWaalsContact ND1-CZ 3.28Å; H225-R244 PolarHBondContact ND1-NE 3.44Å; H225-R244 PolarHBondContact ND1-NH2 3.02Å; H225-R244 VanDerWaalsContact ND1-NH2 3.14Å; L228-R244 HydrophobicContact CB-CG 3.87Å; L228-R244 HydrophobicContact CD1-CG 4.06Å; D229-R244 VanDerWaalsContact OD1-CD 3.27Å; D229-R244 WeakPolarHBondContact OD1-CD 3.44Å; D229-R244 IonicContact OD1-CZ 3.63Å; D229-R244 IonicContact OD1-NE 3.84Å; D229-R244 IonicContact OD1-NH1 2.74Å; D229-R244 PolarHBondContact OD1-NH1 2.88Å; D229-R244 IonicContact OD2-NH1 2.88Å; D229-R244 PolarHBondContact OD2-NH1 2.85Å; F232-R244 HydrophobicContact CE2-CG 4.3Å; Y239-R244 WeakPolarHBondContact OH-CA 3.19Å; Y239-R244 VanDerWaalsContact OH-CB 3.25Å; Y239-R244 WeakPolarHBondContact OH-CB 3.41Å; A241-R244 VanDerWaalsContact O-CB 3.31Å; A241-R244 WeakPolarHBondContact O-CB 3.43Å; A241-R244 PolarHBondContact O-N 3.47Å; A241-R244 VanDerWaalsContact O-N 3.12Å; R244-S246 VanDerWaalsContact C-N 3.3Å; R244-S246 PolarHBondContact O-N 3.1Å; R244-L247 PolarHBondContact O-N 2.89Å; R244-A248 VanDerWaalsContact O-CB 3.24Å; R244-A248 WeakPolarHBondContact O-CB 3.31Å; R244-A248 PolarHBondContact O-N 3.06Å |
| 245 | D | 83.5 | Confident | 84.7 | Confident | 55 Ų | 55 | 76.6 Ų | 76.6 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.9 | -30.9 | -169.8 | -51.3 | -13.3 | 0 | 0 | 0 | 111.2 | F243 T249 | F243-D245 PolarHBondContact O-N 3.38Å; D245-T249 WeakPolarHBondContact O-CB 3.44Å; D245-T249 PolarHBondContact O-N 3.15Å; D245-T249 PolarHBondContact O-OG1 3.06Å |
| 246 | S | 83.1 | Confident | 83.4 | Confident | 74 Ų | 74 | 76.6 Ų | 76.6 | 52% | 0.517 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.1 | -46.3 | 173 | -167.7 | 0 | 0 | 0 | 0 | 111.3 | F243 R244 T249 E250 | F243-S246 WeakPolarHBondContact O-CB 3.39Å; F243-S246 PolarHBondContact O-N 3.23Å; F243-S246 VanDerWaalsContact O-N 3.14Å; R244-S246 VanDerWaalsContact C-N 3.3Å; R244-S246 PolarHBondContact O-N 3.1Å; S246-T249 WeakPolarHBondContact O-CB 3.25Å; S246-T249 PolarHBondContact O-N 2.97Å; S246-E250 WeakPolarHBondContact O-CB 3.28Å; S246-E250 PolarHBondContact O-N 3.21Å |
| 247 | L | 86.8 | Confident | 82.1 | Confident | 28 Ų | 28 | 78 Ų | 78 | 15% | 0.147 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70 | -35.4 | 178.9 | -70.7 | 165.6 | 0 | 0 | 0 | 112 | F232 I236 Y239 F243 R244 T249 E250 I251 | F232-L247 HydrophobicContact CD1-CB 4.36Å; F232-L247 HydrophobicContact CD2-CB 4.19Å; F232-L247 HydrophobicContact CE1-CB 4.05Å; F232-L247 HydrophobicContact CE2-CB 3.83Å; F232-L247 HydrophobicContact CG-CB 4.46Å; F232-L247 HydrophobicContact CG-CD1 4.49Å; F232-L247 HydrophobicContact CZ-CB 3.77Å; I236-L247 HydrophobicContact CD1-CD1 3.66Å; I236-L247 HydrophobicContact CD1-CD2 3.72Å; I236-L247 HydrophobicContact CD1-CG 4.27Å; Y239-L247 HydrophobicContact CD2-CD1 3.75Å; Y239-L247 HydrophobicContact CE2-CD1 3.66Å; F243-L247 HydrophobicContact CB-CD1 3.71Å; F243-L247 HydrophobicContact CB-CG 4.23Å; F243-L247 WeakPolarHBondContact O-CG 3.32Å; F243-L247 PolarHBondContact O-N 3.27Å; R244-L247 PolarHBondContact O-N 2.89Å; L247-T249 VanDerWaalsContact C-N 3.3Å; L247-T249 PolarHBondContact O-N 3.16Å; L247-E250 PolarHBondContact O-N 3.43Å; L247-I251 HydrophobicContact CB-CD1 4.34Å; L247-I251 HydrophobicContact CD2-CD1 4Å; L247-I251 VanDerWaalsContact O-CB 3.25Å; L247-I251 WeakPolarHBondContact O-CB 3.41Å; L247-I251 WeakPolarHBondContact O-CG1 3.41Å; L247-I251 PolarHBondContact O-N 3.33Å |
| 248 | A | 86.9 | Confident | 80.9 | Confident | 5 Ų | 5 | 74.3 Ų | 74.3 | 4% | 0.041 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L228 F232 R244 L252 G253 L254 | L228-A248 HydrophobicContact CD1-CB 4.03Å; L228-A248 HydrophobicContact CD2-CB 4.33Å; F232-A248 HydrophobicContact CE2-CB 4.36Å; F232-A248 HydrophobicContact CZ-CB 4.29Å; R244-A248 VanDerWaalsContact O-CB 3.24Å; R244-A248 WeakPolarHBondContact O-CB 3.31Å; R244-A248 PolarHBondContact O-N 3.06Å; A248-L252 CarbonylContact O-C 3.6Å; A248-L252 WeakPolarHBondContact O-CA 3.14Å; A248-L252 WeakPolarHBondContact O-CB 3.37Å; A248-L252 PolarHBondContact O-N 3.45Å; A248-G253 PolarHBondContact O-N 3.38Å; A248-L254 HydrophobicContact CB-CB 4.31Å; A248-L254 HydrophobicContact CB-CD1 4.08Å; A248-L254 PolarHBondContact O-N 3.35Å |
| 249 | T | 84.8 | Confident | 79.8 | Confident | 53 Ų | 53 | 69 Ų | 69 | 33% | 0.325 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.5 | -41.7 | 174.8 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | D245 S246 L247 G253 L254 S256 | D245-T249 WeakPolarHBondContact O-CB 3.44Å; D245-T249 PolarHBondContact O-N 3.15Å; D245-T249 PolarHBondContact O-OG1 3.06Å; S246-T249 WeakPolarHBondContact O-CB 3.25Å; S246-T249 PolarHBondContact O-N 2.97Å; L247-T249 VanDerWaalsContact C-N 3.3Å; L247-T249 PolarHBondContact O-N 3.16Å; T249-G253 WeakPolarHBondContact O-CA 3.49Å; T249-G253 PolarHBondContact O-N 3.5Å; T249-L254 WeakPolarHBondContact CA-O 3.33Å; T249-L254 WeakPolarHBondContact CB-O 3.46Å; T249-L254 PolarHBondContact OG1-O 2.9Å; T249-L254 VanDerWaalsContact OG1-O 3.08Å; T249-S256 WeakPolarHBondContact OG1-CB 3.31Å; T249-S256 PolarHBondContact OG1-N 2.98Å |
| 250 | E | 82.2 | Confident | 78.4 | Confident | 151 Ų | 151 | 76.5 Ų | 76.5 | 71% | 0.706 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -77.3 | -45.3 | -175.4 | -174.9 | 170.7 | -170.8 | 0 | 0 | 113.3 | S246 L247 | S246-E250 WeakPolarHBondContact O-CB 3.28Å; S246-E250 PolarHBondContact O-N 3.21Å; L247-E250 PolarHBondContact O-N 3.43Å |
| 251 | I | 84.4 | Confident | 76.9 | Confident | 76 Ų | 76 | 76.4 Ų | 76.4 | 39% | 0.39 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -88.7 | -42 | -173.4 | -59.4 | 174.3 | 0 | 0 | 0 | 111.5 | F232 I236 L247 | F232-I251 HydrophobicContact CD1-CD1 4.27Å; F232-I251 HydrophobicContact CE1-CD1 3.89Å; I236-I251 HydrophobicContact CD1-CD1 4.2Å; L247-I251 HydrophobicContact CB-CD1 4.34Å; L247-I251 HydrophobicContact CD2-CD1 4Å; L247-I251 VanDerWaalsContact O-CB 3.25Å; L247-I251 WeakPolarHBondContact O-CB 3.41Å; L247-I251 WeakPolarHBondContact O-CG1 3.41Å; L247-I251 PolarHBondContact O-N 3.33Å |
| 252 | L | 83.5 | Confident | 75.5 | Confident | 81 Ų | 81 | 81.1 Ų | 81.1 | 42% | 0.424 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -104.8 | -3.4 | -172.9 | -55.5 | 174.6 | 0 | 0 | 0 | 113.3 | L228 L231 F232 A248 L254 | L228-L252 HydrophobicContact CD2-CD1 3.43Å; L228-L252 VanDerWaalsContact CD2-CD1 3.43Å; L231-L252 HydrophobicContact CD2-CD1 4.15Å; L231-L252 HydrophobicContact CD2-CD2 4.49Å; F232-L252 HydrophobicContact CZ-CD1 4.35Å; A248-L252 CarbonylContact O-C 3.6Å; A248-L252 WeakPolarHBondContact O-CA 3.14Å; A248-L252 WeakPolarHBondContact O-CB 3.37Å; A248-L252 PolarHBondContact O-N 3.45Å; L252-L254 HydrophobicContact CB-CD1 4.1Å; L252-L254 HydrophobicContact CB-CG 3.9Å; L252-L254 HydrophobicContact CD1-CD1 4.01Å; L252-L254 PolarHBondContact O-N 3.37Å |
| 253 | G | 78 | Confident | 74.5 | Confident | 65 Ų | 65 | 77.6 Ų | 77.6 | 67% | 0.67 | 43% | 0.433 | S | S | * | . | trans | 66.2 | 14.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A248 T249 | A248-G253 PolarHBondContact O-N 3.38Å; T249-G253 WeakPolarHBondContact O-CA 3.49Å; T249-G253 PolarHBondContact O-N 3.5Å | ||
| 254 | L | 73.8 | Confident | 73.6 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 42% | 0.424 | 45% | 0.448 | S | S | . | . | trans | -68.8 | 137.9 | -178.7 | -66.1 | 175.4 | 0 | 0 | 0 | 110.4 | L228 A248 T249 L252 S256 | L228-L254 HydrophobicContact CD2-CD1 4.37Å; A248-L254 HydrophobicContact CB-CB 4.31Å; A248-L254 HydrophobicContact CB-CD1 4.08Å; A248-L254 PolarHBondContact O-N 3.35Å; T249-L254 WeakPolarHBondContact CA-O 3.33Å; T249-L254 WeakPolarHBondContact CB-O 3.46Å; T249-L254 PolarHBondContact OG1-O 2.9Å; T249-L254 VanDerWaalsContact OG1-O 3.08Å; L252-L254 HydrophobicContact CB-CD1 4.1Å; L252-L254 HydrophobicContact CB-CG 3.9Å; L252-L254 HydrophobicContact CD1-CD1 4.01Å; L252-L254 PolarHBondContact O-N 3.37Å; L254-S256 PolarHBondContact O-N 3.38Å; L254-S256 VanDerWaalsContact O-N 3.16Å | ||
| 255 | S | 68.9 | Low | 72.3 | Confident | 88 Ų | 88 | 80.9 Ų | 80.9 | 62% | 0.615 | 46% | 0.455 | S | S | * | . | trans | -63.9 | 119.9 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | R257 | S255-R257 WeakPolarHBondContact CB-O 3.24Å; S255-R257 CarbonylContact O-C 3.52Å; S255-R257 PolarHBondContact O-N 3.29Å; S255-R257 PolarHBondContact OG-N 3.16Å; S255-R257 PolarHBondContact OG-O 3.02Å | ||
| 256 | S | 61.3 | Low | 71.4 | Confident | 75 Ų | 75 | 79.4 Ų | 79.4 | 52% | 0.524 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -55.1 | -19.6 | 169 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | T249 L254 | T249-S256 WeakPolarHBondContact OG1-CB 3.31Å; T249-S256 PolarHBondContact OG1-N 2.98Å; L254-S256 PolarHBondContact O-N 3.38Å; L254-S256 VanDerWaalsContact O-N 3.16Å |
| 257 | R | 60.2 | Low | 70.4 | Confident | 82 Ų | 82 | 78.6 Ų | 78.6 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | trans | -95.5 | 124.2 | 167 | -55.7 | -171.7 | -165.2 | -130 | -8.5 | 110.4 | S255 C259 D282 | S255-R257 WeakPolarHBondContact CB-O 3.24Å; S255-R257 CarbonylContact O-C 3.52Å; S255-R257 PolarHBondContact O-N 3.29Å; S255-R257 PolarHBondContact OG-N 3.16Å; S255-R257 PolarHBondContact OG-O 3.02Å; R257-C259 WeakPolarHBondContact CB-O 3.35Å; R257-C259 PolarHBondContact O-N 3.3Å; R257-D282 IonicContact CZ-OD1 3.6Å; R257-D282 IonicContact CZ-OD2 3.94Å; R257-D282 VanDerWaalsContact CZ-OD2 3.25Å; R257-D282 IonicContact NH1-OD1 2.68Å; R257-D282 IonicContact NH1-OD2 2.76Å; R257-D282 PolarHBondContact NH1-OD2 2.92Å; R257-D282 IonicContact NH2-OD1 3.44Å; R257-D282 PolarHBondContact NH2-OD1 3.38Å; R257-D282 IonicContact NH2-OD2 2.85Å; R257-D282 PolarHBondContact NH2-OD2 3.4Å | ||
| 258 | L | 61.5 | Low | 69.1 | Low | 104 Ų | 104 | 81.1 Ų | 81.1 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -66.7 | -14.3 | 170.4 | -63.3 | 154 | 0 | 0 | 0 | 112.9 | L270 | L258-L270 HydrophobicContact CD1-CD2 3.95Š|
| 259 | C | 64.1 | Low | 67.8 | Low | 37 Ų | 37 | 82 Ų | 82 | 25% | 0.25 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -157.7 | 170.1 | -176 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | R257 C263 C266 | R257-C259 WeakPolarHBondContact CB-O 3.35Å; R257-C259 PolarHBondContact O-N 3.3Å; C259-C263 HydrophobicContact CB-CB 3.64Å; C259-C266 HydrophobicContact CB-CB 3.72Å; C259-C266 VanDerWaalsContact CB-SG 3.58Å; C259-C266 WeakPolarHBondContact SG-CB 3.2Å |
| 260 | F | 63.3 | Low | 66.6 | Low | 174 Ų | 174 | 80.6 Ų | 80.6 | 76% | 0.763 | 45% | 0.451 | S | S | * | . | trans | -62.2 | 149.8 | 162.1 | -68.2 | -79.4 | 0 | 0 | 0 | 110.8 | D262 C263 | F260-D262 PolarHBondContact O-N 2.89Å; F260-D262 VanDerWaalsContact O-N 3.16Å; F260-C263 VanDerWaalsContact O-CB 3.27Å; F260-C263 WeakPolarHBondContact O-CB 3.25Å; F260-C263 PolarHBondContact O-N 2.94Å; F260-C263 VanDerWaalsContact O-N 3.13Å | ||
| 261 | P | 56.9 | Low | 65.5 | Low | 90 Ų | 90 | 77.2 Ų | 77.2 | 58% | 0.584 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30 | -174.7 | 22.5 | -33.8 | 0 | 0 | 0 | 114 | C263 | P261-C263 VanDerWaalsContact C-N 3.28Å; P261-C263 PolarHBondContact O-N 3.48Å |
| 262 | D | 60.1 | Low | 63.9 | Low | 147 Ų | 147 | 82.8 Ų | 82.8 | 79% | 0.786 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 20.6 | -179 | -50.2 | -51.2 | 0 | 0 | 0 | 113.5 | F260 D264 | F260-D262 PolarHBondContact O-N 2.89Å; F260-D262 VanDerWaalsContact O-N 3.16Å; D262-D264 PolarHBondContact O-N 2.89Å; D262-D264 VanDerWaalsContact O-N 3.15Å |
| 263 | C | 67.8 | Low | 62.3 | Low | 34 Ų | 34 | 84 Ų | 84 | 23% | 0.23 | 46% | 0.464 | C | S | . | . | trans | -84.1 | 89.3 | -177.6 | -167.3 | 0 | 0 | 0 | 0 | 112.5 | C259 F260 P261 F265 C266 S267 | C259-C263 HydrophobicContact CB-CB 3.64Å; F260-C263 VanDerWaalsContact O-CB 3.27Å; F260-C263 WeakPolarHBondContact O-CB 3.25Å; F260-C263 PolarHBondContact O-N 2.94Å; F260-C263 VanDerWaalsContact O-N 3.13Å; P261-C263 VanDerWaalsContact C-N 3.28Å; P261-C263 PolarHBondContact O-N 3.48Å; C263-F265 PolarHBondContact O-N 2.99Å; C263-C266 HydrophobicContact CB-CB 4.22Å; C263-C266 PolarHBondContact O-N 2.87Å; C263-C266 VanDerWaalsContact O-N 3.1Å; C263-S267 PolarHBondContact O-N 2.76Å; C263-S267 PolarHBondContact O-OG 3.34Å | ||
| 264 | D | 64.7 | Low | 61.2 | Low | 139 Ų | 139 | 82.3 Ų | 82.3 | 74% | 0.743 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -46.1 | -33.7 | 171.2 | -70.6 | -24 | 0 | 0 | 0 | 113.5 | D262 | D262-D264 PolarHBondContact O-N 2.89Å; D262-D264 VanDerWaalsContact O-N 3.15Å |
| 265 | F | 62.1 | Low | 60.1 | Low | 60 Ų | 60 | 83.7 Ų | 83.7 | 26% | 0.263 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -74.4 | -38.9 | -176.4 | -162 | -84.3 | 0 | 0 | 0 | 113 | R210 I213 K214 L217 C263 L269 | R210-F265 HydrophobicContact CG-CE2 4.35Å; I213-F265 HydrophobicContact CG2-CZ 4.02Å; K214-F265 HydrophobicContact CG-CE1 3.93Å; K214-F265 HydrophobicContact CG-CE2 4.23Å; K214-F265 HydrophobicContact CG-CZ 3.54Å; L217-F265 HydrophobicContact CD1-CE1 3.65Å; L217-F265 HydrophobicContact CD1-CZ 4.36Å; C263-F265 PolarHBondContact O-N 2.99Å; F265-L269 HydrophobicContact CD1-CD1 3.91Å; F265-L269 HydrophobicContact CD1-CG 4.37Å; F265-L269 HydrophobicContact CE1-CD1 3.96Å; F265-L269 HydrophobicContact CE1-CD2 4.4Å; F265-L269 HydrophobicContact CE1-CG 4.35Å |
| 266 | C | 64.3 | Low | 59 | Low | 23 Ų | 23 | 85.4 Ų | 85.4 | 16% | 0.155 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -82.7 | -24.8 | -176.3 | -66.9 | 0 | 0 | 0 | 0 | 112.8 | C259 C263 D268 L269 L270 | C259-C266 HydrophobicContact CB-CB 3.72Å; C259-C266 VanDerWaalsContact CB-SG 3.58Å; C259-C266 WeakPolarHBondContact SG-CB 3.2Å; C263-C266 HydrophobicContact CB-CB 4.22Å; C263-C266 PolarHBondContact O-N 2.87Å; C263-C266 VanDerWaalsContact O-N 3.1Å; C266-D268 PolarHBondContact O-N 3.5Å; C266-L269 PolarHBondContact O-N 3.32Å; C266-L270 PolarHBondContact O-N 3.32Å; C266-L270 VanDerWaalsContact O-N 3.11Å |
| 267 | S | 62.8 | Low | 58.4 | Low | 58 Ų | 58 | 87.3 Ų | 87.3 | 41% | 0.406 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -53.5 | -33.1 | 168.7 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | C263 R275 | C263-S267 PolarHBondContact O-N 2.76Å; C263-S267 PolarHBondContact O-OG 3.34Å; S267-R275 PolarHBondContact O-NE 2.88Å; S267-R275 PolarHBondContact O-NH2 3.36Å; S267-R275 VanDerWaalsContact O-NH2 3.1Å |
| 268 | D | 58.9 | Low | 57.9 | Low | 80 Ų | 80 | 85.6 Ų | 85.6 | 43% | 0.428 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -23.6 | 176 | -76.1 | -22.2 | 0 | 0 | 0 | 114 | K214 C266 | K214-D268 VanDerWaalsContact NZ-CB 3.31Å; K214-D268 VanDerWaalsContact NZ-CG 3.3Å; K214-D268 IonicContact NZ-OD2 3.84Å; K214-D268 PolarHBondContact NZ-OD2 3.37Å; C266-D268 PolarHBondContact O-N 3.5Å |
| 269 | L | 59.5 | Low | 57.4 | Low | 25 Ų | 25 | 87 Ų | 87 | 13% | 0.131 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -24.6 | -179.6 | -62.8 | 174.9 | 0 | 0 | 0 | 112.7 | K214 L217 I218 F265 C266 T271 | K214-L269 HydrophobicContact CB-CD2 3.93Å; K214-L269 HydrophobicContact CG-CD2 4.01Å; K214-L269 WeakPolarHBondContact O-CD2 3.22Å; L217-L269 HydrophobicContact CB-CD1 4.02Å; L217-L269 HydrophobicContact CB-CD2 4.21Å; L217-L269 HydrophobicContact CD1-CD1 4.22Å; I218-L269 HydrophobicContact CD1-CD2 4.33Å; I218-L269 HydrophobicContact CG1-CD2 3.94Å; F265-L269 HydrophobicContact CD1-CD1 3.91Å; F265-L269 HydrophobicContact CD1-CG 4.37Å; F265-L269 HydrophobicContact CE1-CD1 3.96Å; F265-L269 HydrophobicContact CE1-CD2 4.4Å; F265-L269 HydrophobicContact CE1-CG 4.35Å; C266-L269 PolarHBondContact O-N 3.32Å; L269-T271 PolarHBondContact O-N 3.16Å |
| 270 | L | 60.5 | Low | 56.5 | Low | 23 Ų | 23 | 89.4 Ų | 89.4 | 12% | 0.12 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -69.6 | 125.6 | 174.6 | -71.4 | 164.9 | 0 | 0 | 0 | 110.2 | L258 C266 E274 R275 | L258-L270 HydrophobicContact CD1-CD2 3.95Å; C266-L270 PolarHBondContact O-N 3.32Å; C266-L270 VanDerWaalsContact O-N 3.11Å; L270-E274 HydrophobicContact CB-CB 4.49Å; L270-E274 HydrophobicContact CD2-CB 3.87Å; L270-R275 HydrophobicContact CB-CG 3.66Å; L270-R275 HydrophobicContact CD1-CG 4.4Å; L270-R275 PolarHBondContact O-NE 3.08Å; L270-R275 PolarHBondContact O-NH2 3.47Å; L270-R275 VanDerWaalsContact O-NH2 3.13Å |
| 271 | T | 58.5 | Low | 55.8 | Low | 80 Ų | 80 | 87.7 Ų | 87.7 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | trans | -61.1 | 155.2 | 168.1 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | L269 D273 E274 R275 | L269-T271 PolarHBondContact O-N 3.16Å; T271-D273 PolarHBondContact O-N 3.22Å; T271-D273 VanDerWaalsContact O-N 3.13Å; T271-E274 PolarHBondContact N-OE2 3.05Å; T271-E274 VanDerWaalsContact N-OE2 3.14Å; T271-E274 PolarHBondContact O-N 2.98Å; T271-E274 VanDerWaalsContact OG1-CG 3.29Å; T271-E274 WeakPolarHBondContact OG1-CG 3.43Å; T271-E274 PolarHBondContact OG1-OE2 2.9Å; T271-R275 PolarHBondContact O-N 2.92Å | ||
| 272 | R | 50.5 | Low | 55.3 | Low | 193 Ų | 193 | 87.8 Ų | 87.8 | 73% | 0.728 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -55.8 | -36.7 | -171.8 | -171.2 | 177.9 | 178.8 | 176.5 | -0.9 | 112.6 | Y276 | R272-Y276 HydrophobicContact CG-CE2 4.18Å; R272-Y276 WeakPolarHBondContact O-CD2 3.46Å; R272-Y276 WeakPolarHBondContact O-CE2 3.43Å |
| 273 | D | 50.4 | Low | 54.5 | Low | 106 Ų | 106 | 87.4 Ų | 87.4 | 57% | 0.567 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.1 | -38.8 | 178.5 | -166.8 | 25 | 0 | 0 | 0 | 112.6 | T271 Y276 | T271-D273 PolarHBondContact O-N 3.22Å; T271-D273 VanDerWaalsContact O-N 3.13Å; D273-Y276 PolarHBondContact O-N 2.75Å |
| 274 | E | 54.4 | Low | 53 | Low | 30 Ų | 30 | 90.4 Ų | 90.4 | 14% | 0.14 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -73.8 | -31.3 | -177.6 | -65 | 169.1 | 142 | 0 | 0 | 112.8 | R221 H225 L270 T271 Y276 R277 T278 | R221-E274 IonicContact CZ-OE1 2.82Å; R221-E274 IonicContact CZ-OE2 3.25Å; R221-E274 IonicContact NH1-OE1 3.67Å; R221-E274 PolarHBondContact NH1-OE1 2.84Å; R221-E274 IonicContact NH1-OE2 3.14Å; R221-E274 PolarHBondContact NH1-OE2 2.66Å; R221-E274 IonicContact NH2-OE1 2.77Å; R221-E274 PolarHBondContact NH2-OE1 2.89Å; R221-E274 IonicContact NH2-OE2 2.66Å; R221-E274 PolarHBondContact NH2-OE2 3.13Å; H225-E274 IonicContact CE1-OE1 3.92Å; L270-E274 HydrophobicContact CB-CB 4.49Å; L270-E274 HydrophobicContact CD2-CB 3.87Å; T271-E274 PolarHBondContact N-OE2 3.05Å; T271-E274 VanDerWaalsContact N-OE2 3.14Å; T271-E274 PolarHBondContact O-N 2.98Å; T271-E274 VanDerWaalsContact OG1-CG 3.29Å; T271-E274 WeakPolarHBondContact OG1-CG 3.43Å; T271-E274 PolarHBondContact OG1-OE2 2.9Å; E274-Y276 PolarHBondContact O-N 2.99Å; E274-R277 WeakPolarHBondContact O-CA 3.25Å; E274-R277 WeakPolarHBondContact O-CB 3.42Å; E274-R277 PolarHBondContact O-N 3.07Å; E274-T278 PolarHBondContact O-N 3.4Å; E274-T278 PolarHBondContact O-OG1 3.49Å |
| 275 | R | 51.4 | Low | 51.7 | Low | 109 Ų | 109 | 91.2 Ų | 91.2 | 41% | 0.411 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58 | -36.7 | 175.7 | -61.9 | 179.1 | -163.5 | -161.5 | -0.7 | 112 | S267 L270 T271 Q279 | S267-R275 PolarHBondContact O-NE 2.88Å; S267-R275 PolarHBondContact O-NH2 3.36Å; S267-R275 VanDerWaalsContact O-NH2 3.1Å; L270-R275 HydrophobicContact CB-CG 3.66Å; L270-R275 HydrophobicContact CD1-CG 4.4Å; L270-R275 PolarHBondContact O-NE 3.08Å; L270-R275 PolarHBondContact O-NH2 3.47Å; L270-R275 VanDerWaalsContact O-NH2 3.13Å; T271-R275 PolarHBondContact O-N 2.92Å; R275-Q279 PolarHBondContact O-N 3.29Å |
| 276 | Y | 46.6 | Very low | 50.4 | Low | 124 Ų | 124 | 92.7 Ų | 92.7 | 49% | 0.486 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.9 | -36.9 | 174.1 | -65.8 | -72.1 | 0 | 0 | 0 | 111.5 | R272 D273 E274 N280 | R272-Y276 HydrophobicContact CG-CE2 4.18Å; R272-Y276 WeakPolarHBondContact O-CD2 3.46Å; R272-Y276 WeakPolarHBondContact O-CE2 3.43Å; D273-Y276 PolarHBondContact O-N 2.75Å; E274-Y276 PolarHBondContact O-N 2.99Å; Y276-N280 VanDerWaalsContact O-CB 3.28Å; Y276-N280 WeakPolarHBondContact O-CB 2.93Å; Y276-N280 VanDerWaalsContact O-CG 3.26Å; Y276-N280 PolarHBondContact O-N 2.93Å; Y276-N280 PolarHBondContact O-ND2 3.32Å |
| 277 | R | 48.6 | Very low | 49 | Very low | 115 Ų | 115 | 100.1 Ų | 100.1 | 43% | 0.434 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.8 | -43.1 | 176.9 | -66 | -168.9 | -175.9 | -165.8 | 3.3 | 112.8 | E274 N280 H281 | E274-R277 WeakPolarHBondContact O-CA 3.25Å; E274-R277 WeakPolarHBondContact O-CB 3.42Å; E274-R277 PolarHBondContact O-N 3.07Å; R277-N280 PolarHBondContact O-N 3.44Å; R277-H281 WeakPolarHBondContact O-CB 3.31Å; R277-H281 PolarHBondContact O-N 2.91Å |
| 278 | T | 50 | Low | 47.6 | Very low | 47 Ų | 47 | 101.4 Ų | 101.4 | 29% | 0.288 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 178.8 | 2.7 | 0 | 0 | 0 | 0 | 112.2 | E274 | E274-T278 PolarHBondContact O-N 3.4Å; E274-T278 PolarHBondContact O-OG1 3.49Å |
| 279 | Q | 49.7 | Very low | 46.2 | Very low | 132 Ų | 132 | 105.2 Ų | 105.2 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.7 | -41.9 | 174.5 | -72.8 | -173.5 | -7.5 | 0 | 0 | 112.5 | R275 H281 D282 L283 | R275-Q279 PolarHBondContact O-N 3.29Å; Q279-H281 PolarHBondContact O-N 3.21Å; Q279-D282 PolarHBondContact O-N 3.36Å; Q279-L283 PolarHBondContact O-N 3.08Å |
| 280 | N | 46.2 | Very low | 44.8 | Very low | 88 Ų | 88 | 109 Ų | 109 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69 | -31.4 | 178.8 | -75 | -39.7 | 0 | 0 | 0 | 112.8 | Y276 R277 D282 L283 C284 | Y276-N280 VanDerWaalsContact O-CB 3.28Å; Y276-N280 WeakPolarHBondContact O-CB 2.93Å; Y276-N280 VanDerWaalsContact O-CG 3.26Å; Y276-N280 PolarHBondContact O-N 2.93Å; Y276-N280 PolarHBondContact O-ND2 3.32Å; R277-N280 PolarHBondContact O-N 3.44Å; N280-D282 VanDerWaalsContact C-N 3.27Å; N280-D282 PolarHBondContact O-N 3.19Å; N280-L283 PolarHBondContact O-N 3.05Å; N280-L283 VanDerWaalsContact O-N 3.16Å; N280-C284 VanDerWaalsContact O-CB 3.3Å; N280-C284 WeakPolarHBondContact O-CB 3.38Å; N280-C284 PolarHBondContact O-N 2.89Å |
| 281 | H | 47.9 | Very low | 43.4 | Very low | 138 Ų | 138 | 113.1 Ų | 113.1 | 64% | 0.639 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.4 | -25.6 | 174.3 | -100.3 | -66.5 | 0 | 0 | 0 | 113.9 | R277 Q279 | R277-H281 WeakPolarHBondContact O-CB 3.31Å; R277-H281 PolarHBondContact O-N 2.91Å; Q279-H281 PolarHBondContact O-N 3.21Å |
| 282 | D | 46.4 | Very low | 42.1 | Very low | 92 Ų | 92 | 118.9 Ų | 118.9 | 49% | 0.492 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75.2 | -30.6 | 171.3 | -102 | -42 | 0 | 0 | 0 | 112.7 | R257 Q279 N280 | R257-D282 IonicContact CZ-OD1 3.6Å; R257-D282 IonicContact CZ-OD2 3.94Å; R257-D282 VanDerWaalsContact CZ-OD2 3.25Å; R257-D282 IonicContact NH1-OD1 2.68Å; R257-D282 IonicContact NH1-OD2 2.76Å; R257-D282 PolarHBondContact NH1-OD2 2.92Å; R257-D282 IonicContact NH2-OD1 3.44Å; R257-D282 PolarHBondContact NH2-OD1 3.38Å; R257-D282 IonicContact NH2-OD2 2.85Å; R257-D282 PolarHBondContact NH2-OD2 3.4Å; Q279-D282 PolarHBondContact O-N 3.36Å; N280-D282 VanDerWaalsContact C-N 3.27Å; N280-D282 PolarHBondContact O-N 3.19Å |
| 283 | L | 42.9 | Very low | 41.3 | Very low | 140 Ų | 140 | 117.7 Ų | 117.7 | 73% | 0.733 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -90.2 | -28 | -177.9 | -68.2 | 165.7 | 0 | 0 | 0 | 113.5 | Q279 N280 | Q279-L283 PolarHBondContact O-N 3.08Å; N280-L283 PolarHBondContact O-N 3.05Å; N280-L283 VanDerWaalsContact O-N 3.16Å |
| 284 | C | 37 | Very low | 40.6 | Very low | 97 Ų | 97 | 119.5 Ų | 119.5 | 66% | 0.655 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -96.6 | 10.8 | -177.9 | -67.6 | 0 | 0 | 0 | 0 | 114.4 | N280 P286 | N280-C284 VanDerWaalsContact O-CB 3.3Å; N280-C284 WeakPolarHBondContact O-CB 3.38Å; N280-C284 PolarHBondContact O-N 2.89Å; C284-P286 WeakPolarHBondContact O-CD 3.36Å |
| 285 | R | 37.7 | Very low | 39.4 | Very low | 155 Ų | 155 | 122.1 Ų | 122.1 | 59% | 0.585 | 63% | 0.625 | S | S | * | * | trans | -85.6 | 101.8 | 168.1 | -160.4 | -177.2 | -158.7 | -174.1 | 7 | 108.9 | Y289 | R285-Y289 VanDerWaalsContact CZ-CE2 3.45Å; R285-Y289 PolarHBondContact NH2-OH 2.7Å | ||
| 286 | P | 35 | Very low | 38.4 | Very low | 92 Ų | 92 | 124.7 Ų | 124.7 | 60% | 0.597 | 64% | 0.642 | S | S | * | * | trans | -57.5 | 145.4 | 169.9 | 24.9 | -33.7 | 0 | 0 | 0 | 109.6 | C284 S288 | C284-P286 WeakPolarHBondContact O-CD 3.36Å; P286-S288 PolarHBondContact O-N 2.94Å; P286-S288 PolarHBondContact O-OG 3.16Å | ||
| 287 | N | 35.1 | Very low | 37.7 | Very low | 178 Ų | 178 | 126.8 Ų | 126.8 | 95% | 0.952 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -71.3 | 60.4 | 176.6 | -84.7 | -41.4 | 0 | 0 | 0 | 111.6 | ||
| 288 | S | 31.6 | Very low | 37 | Very low | 85 Ų | 85 | 126.8 Ų | 126.8 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | trans | -119.1 | 34.6 | -178.1 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | P286 | P286-S288 PolarHBondContact O-N 2.94Å; P286-S288 PolarHBondContact O-OG 3.16Å | ||
| 289 | Y | 29.7 | Very low | 36.1 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 63% | 0.631 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -88.6 | 118.8 | 149.3 | -80 | -98.7 | 0 | 0 | 0 | 108.2 | R285 S291 | R285-Y289 VanDerWaalsContact CZ-CE2 3.45Å; R285-Y289 PolarHBondContact NH2-OH 2.7Å; Y289-S291 VanDerWaalsContact C-N 3.34Å; Y289-S291 PolarHBondContact O-N 2.99Å |
| 290 | P | 30.6 | Very low | 35.4 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | trans | -72.1 | 93 | 170.3 | 29.8 | -32.1 | 0 | 0 | 0 | 108.7 | R292 | P290-R292 PolarHBondContact O-N 3.02Š| ||
| 291 | S | 32.3 | Very low | 34.7 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 47.3 | 169.4 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | Y289 | Y289-S291 VanDerWaalsContact C-N 3.34Å; Y289-S291 PolarHBondContact O-N 2.99Å |
| 292 | R | 30.6 | Very low | 33.9 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 8.7 | -170.6 | -85.4 | -163.6 | 171.1 | -154.3 | -0.3 | 115 | P290 | P290-R292 PolarHBondContact O-N 3.02Š|
| 293 | L | 34.2 | Very low | 33.3 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 88% | 0.88 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -93.1 | -0.6 | 175.2 | -83.6 | 167.1 | 0 | 0 | 0 | 115 | ||
| 294 | V | 34 | Very low | 33 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -135.3 | 43.8 | 178.5 | -161.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 295 | S | 30 | Very low | 32.9 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -171.5 | 71.2 | 163.7 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 296 | Q | 31.5 | Very low | 32.9 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -170 | 96.5 | 152.7 | -107.8 | 153.1 | 48.6 | 0 | 0 | 108.8 | P298 | Q296-P298 WeakPolarHBondContact O-CD 3.3Š| ||
| 297 | I | 31.6 | Very low | 33 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -93.1 | 103 | 160.7 | -63.5 | 167.9 | 0 | 0 | 0 | 105.1 | S299 | I297-S299 PolarHBondContact O-N 3.32Å; I297-S299 VanDerWaalsContact O-N 3.15Å | ||
| 298 | P | 32.8 | Very low | 33.1 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | -80.7 | 93.7 | 166.6 | 11.3 | 8.1 | 0 | 0 | 0 | 106.5 | Q296 N300 | Q296-P298 WeakPolarHBondContact O-CD 3.3Å; P298-N300 PolarHBondContact O-N 2.86Å | ||
| 299 | S | 31.1 | Very low | 33.3 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -55.6 | 109.5 | 157.8 | 155 | 0 | 0 | 0 | 0 | 108.1 | I297 | I297-S299 PolarHBondContact O-N 3.32Å; I297-S299 VanDerWaalsContact O-N 3.15Å | ||
| 300 | N | 35.3 | Very low | 33.6 | Very low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | -166.7 | 133.8 | 147.4 | -92.1 | -23.4 | 0 | 0 | 0 | 110.8 | P298 | P298-N300 PolarHBondContact O-N 2.86Š| ||
| 301 | C | 31.4 | Very low | 33.7 | Very low | 124 Ų | 124 | 135 Ų | 135 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -72.7 | 156.3 | -170 | -66.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 302 | P | 31.8 | Very low | 34 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | trans | -76.9 | 144.6 | 174.3 | 32.7 | -34.8 | 0 | 0 | 0 | 112 | ||||
| 303 | S | 33.6 | Very low | 34.1 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -135.3 | 129.6 | 163.8 | -175.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 304 | P | 35.4 | Very low | 34.4 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 63% | 0.63 | 78% | 0.777 | S | S | * | * | trans | -88.2 | 149.9 | -177.8 | 35.1 | -34 | 0 | 0 | 0 | 112.3 | ||||
| 305 | F | 36.2 | Very low | 34.8 | Very low | 202 Ų | 202 | 132 Ų | 132 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | trans | 156.2 | 127 | 138 | -82 | -59.6 | 0 | 0 | 0 | 111.8 | ||||
| 306 | P | 36.7 | Very low | 34.9 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -107.6 | -163 | 173.3 | 43.8 | -36 | 0 | 0 | 0 | 111 | ||||
| 307 | P | 38 | Very low | 35.3 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -122.7 | -167.9 | -25.2 | 37.3 | -20.1 | 0 | 0 | 0 | 112 | ||||
| 308 | Q | 37.9 | Very low | 35.5 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 169.7 | 129.6 | 132.8 | -93.9 | -177.5 | 18.9 | 0 | 0 | 116.1 | ||||
| 309 | I | 34.9 | Very low | 35.6 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | 58.7 | 125.5 | 138.3 | -42.7 | 159.8 | 0 | 0 | 0 | 117.3 | ||||
| 310 | S | 36.5 | Very low | 35.8 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -157.6 | 148.6 | 44.2 | -50.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 311 | T | 31.2 | Very low | 35.6 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -26.5 | 152.6 | 154.2 | 48.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 312 | S | 39.3 | Very low | 35.8 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | -160.4 | 179.1 | 65.9 | 53.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 313 | F | 32.7 | Very low | 35.7 | Very low | 203 Ų | 203 | 137.8 Ų | 137.8 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -125.8 | -172.6 | -151.8 | -105.2 | -53.9 | 0 | 0 | 0 | 113.4 | ||||
| 314 | P | 41.6 | Very low | 35.8 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -114.8 | -172.2 | -145.5 | 44.7 | -31 | 0 | 0 | 0 | 115.2 | ||||
| 315 | S | 40.7 | Very low | 35.8 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -152.8 | 147 | 157.9 | -161 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 316 | N | 33.5 | Very low | 35.8 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -90.6 | 157.4 | 172.4 | -71.1 | -39.7 | 0 | 0 | 0 | 111.2 | ||||
| 317 | D | 39.7 | Very low | 35.6 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -170.9 | 118.5 | 130.7 | -109.9 | -38.6 | 0 | 0 | 0 | 116.4 | ||||
| 318 | T | 35.2 | Very low | 35.5 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | 48.9 | 102.3 | 124.9 | -48 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 319 | A | 34.6 | Very low | 35.3 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | 52.3 | 127.6 | 132.4 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 320 | R | 36.3 | Very low | 35.2 | Very low | 257 Ų | 257 | 134.6 Ų | 134.6 | 97% | 0.97 | 79% | 0.79 | S | S | * | * | -166.7 | 152.7 | 119.2 | -111.4 | 172.5 | 179.8 | 159 | 0.9 | 114.3 | |||||
| 321 | S | 30.2 | Very low | 35.1 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -94.7 | 156.2 | -179.5 | 171.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 322 | L | 36.5 | Very low | 35.3 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -161 | 145.8 | 148.6 | -105.8 | 146.7 | 0 | 0 | 0 | 111.9 | ||||
| 323 | T | 29.8 | Very low | 35.2 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | trans | -118.9 | 155.1 | -169.2 | 46.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 324 | S | 35 | Very low | 35.1 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -165.5 | 117.6 | 158.2 | -71.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 325 | D | 35.9 | Very low | 34.7 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | 70.2 | 136.7 | 88 | -75.3 | -17.3 | 0 | 0 | 0 | 114.3 | |||||
| 326 | A | 35.1 | Very low | 34.4 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 65% | 0.653 | 79% | 0.785 | S | S | * | * | cis | -168.8 | 174.6 | -8.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 327 | S | 33.5 | Very low | 34.6 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | 75.3 | 149 | 161.1 | 80.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 328 | Y | 34.4 | Very low | 34.1 | Very low | 199 Ų | 199 | 135.9 Ų | 135.9 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | cis | -167.7 | 128 | -16.6 | 172.1 | -92.4 | 0 | 0 | 0 | 112.6 | ||||
| 329 | I | 34.1 | Very low | 34 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | trans | 52.8 | 130.9 | 154.6 | -59.4 | -165.9 | 0 | 0 | 0 | 123 | ||||
| 330 | G | 34.4 | Very low | 34.2 | Very low | 77 Ų | 77 | 140.8 Ų | 140.8 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -174.8 | 80.1 | 159 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 331 | V | 33.6 | Very low | 34.1 | Very low | 123 Ų | 123 | 135 Ų | 135 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | trans | -83.2 | 148.9 | -175.9 | -176.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 332 | V | 36 | Very low | 34.3 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | 179.5 | 129.8 | 97 | 161.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 333 | N | 36 | Very low | 34.3 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | 52 | 114.5 | 158.3 | -54.9 | -11 | 0 | 0 | 0 | 120.6 | ||||
| 334 | N | 29.9 | Very low | 34.4 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | 61.8 | 102.1 | 64 | -70.9 | -14.1 | 0 | 0 | 0 | 116.1 | |||||
| 335 | V | 34.5 | Very low | 34.2 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | -159 | 122.4 | 117.3 | 176.3 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 336 | F | 33.1 | Very low | 34 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -116.7 | 174.3 | 158.4 | -104.5 | -88.9 | 0 | 0 | 0 | 105.6 | ||||
| 337 | P | 38.3 | Very low | 33.7 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | cis | -153 | 174.3 | 34 | 47.7 | -26.8 | 0 | 0 | 0 | 120.6 | ||||
| 338 | D | 29.8 | Very low | 33.5 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 73.6 | 118.3 | 139.9 | -140 | -9 | 0 | 0 | 0 | 123.3 | S340 | D338-S340 PolarHBondContact OD1-N 2.67Š| ||
| 339 | R | 33.1 | Very low | 33.3 | Very low | 231 Ų | 231 | 141.3 Ų | 141.3 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | -159.6 | 118.5 | 114.2 | -123.8 | -178.9 | -178.1 | -173.3 | -0.2 | 115.4 | |||||
| 340 | S | 37.6 | Very low | 33.2 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | trans | 54.2 | 93.6 | 143.3 | 59.2 | 0 | 0 | 0 | 0 | 119.4 | D338 | D338-S340 PolarHBondContact OD1-N 2.67Š| ||
| 341 | T | 34.3 | Very low | 33.2 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | 96.5 | 124.3 | 84.2 | 45.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 342 | P | 34.3 | Very low | 33.1 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -97.3 | 165.4 | -175.7 | 39 | -36.1 | 0 | 0 | 0 | 114.3 | ||||
| 343 | V | 38.6 | Very low | 32.8 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | trans | -133.7 | 119.4 | 163.2 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 344 | D | 30.5 | Very low | 32.7 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -60.3 | 144.6 | 169.8 | -85.7 | -59.8 | 0 | 0 | 0 | 112.8 | ||||
| 345 | R | 32 | Very low | 33.3 | Very low | 228 Ų | 228 | 146.8 Ų | 146.8 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | -176.6 | 123.3 | 114.7 | -98.7 | 165.1 | -170.4 | -162.1 | 3.1 | 114.1 | |||||
| 346 | C | 31 | Very low | 33.5 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | trans | 60.1 | 109.2 | 137.4 | -59.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 347 | N | 28.5 | Very low | 33.4 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | 63.6 | 142.6 | 123.9 | -91.6 | 51 | 0 | 0 | 0 | 123.1 | |||||
| 348 | D | 29.8 | Very low | 33.4 | Very low | 129 Ų | 129 | 140 Ų | 140 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | trans | 86.2 | 105.4 | 153.1 | -54.6 | -15.4 | 0 | 0 | 0 | 119 | ||||
| 349 | H | 29.6 | Very low | 34.1 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | 26.5 | 100.4 | 147.5 | -62.7 | -49.8 | 0 | 0 | 0 | 119.4 | ||||
| 350 | N | 33 | Very low | 34.3 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -153.9 | 119.8 | 138.5 | -98.4 | -41.1 | 0 | 0 | 0 | 112.2 | T352 | N350-T352 PolarHBondContact O-N 3.18Å; N350-T352 VanDerWaalsContact O-N 3.14Å | ||
| 351 | K | 34.1 | Very low | 34.4 | Very low | 216 Ų | 216 | 139.9 Ų | 139.9 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | trans | -83 | 57.5 | 170.5 | -82.4 | -174 | 164.8 | -171.1 | 0 | 110.6 | ||||
| 352 | T | 31.7 | Very low | 34.7 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -154.3 | 48.6 | -175.7 | 33.1 | 0 | 0 | 0 | 0 | 113.2 | N350 | N350-T352 PolarHBondContact O-N 3.18Å; N350-T352 VanDerWaalsContact O-N 3.14Å | ||
| 353 | A | 29.8 | Very low | 34.9 | Very low | 92 Ų | 92 | 144 Ų | 144 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -157.1 | 137.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 354 | I | 32.9 | Very low | 35 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | cis | -141.3 | 119.9 | 31.7 | -64.2 | 146.1 | 0 | 0 | 0 | 108 | ||||
| 355 | I | 42.2 | Very low | 35.6 | Very low | 131 Ų | 131 | 144 Ų | 144 | 67% | 0.672 | 76% | 0.758 | S | S | * | * | trans | -109.8 | 112.7 | 161.9 | -61 | 179.9 | 0 | 0 | 0 | 106.4 | ||||
| 356 | N | 38.4 | Very low | 35.8 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -62.7 | 137.6 | -173.1 | -82.2 | -35.9 | 0 | 0 | 0 | 111.7 | G358 | N356-G358 PolarHBondContact O-N 3.26Š| ||
| 357 | S | 32.9 | Very low | 36.4 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 94% | 0.937 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -76.9 | 56.3 | -171.1 | -45.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 358 | G | 38.5 | Very low | 36.8 | Very low | 41 Ų | 41 | 133 Ų | 133 | 42% | 0.423 | 72% | 0.719 | S | S | . | * | trans | -105.5 | -10.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | N356 N360 | N356-G358 PolarHBondContact O-N 3.26Å; G358-N360 VanDerWaalsContact C-N 3.28Å; G358-N360 PolarHBondContact O-N 2.82Å | ||
| 359 | L | 42.8 | Very low | 37.3 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 51% | 0.508 | 72% | 0.722 | S | S | . | * | G | 310 helix | trans | -71.4 | -12.7 | -168.7 | -76.4 | 165.3 | 0 | 0 | 0 | 115.5 | L231 Q361 | L231-L359 HydrophobicContact CD1-CD2 4.48Å; L359-Q361 VanDerWaalsContact C-N 3.29Å; L359-Q361 PolarHBondContact O-N 3.21Å |
| 360 | N | 38.6 | Very low | 38.2 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 91% | 0.909 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -82.4 | 6.9 | -178.4 | -75.2 | -9.2 | 0 | 0 | 0 | 114.8 | G358 | G358-N360 VanDerWaalsContact C-N 3.28Å; G358-N360 PolarHBondContact O-N 2.82Å |
| 361 | Q | 38.9 | Very low | 38.6 | Very low | 177 Ų | 177 | 131.5 Ų | 131.5 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -117.5 | -2.4 | -179.7 | -66.7 | -174 | 12.4 | 0 | 0 | 114.5 | L359 L363 | L359-Q361 VanDerWaalsContact C-N 3.29Å; L359-Q361 PolarHBondContact O-N 3.21Å; Q361-L363 PolarHBondContact O-N 3.07Å |
| 362 | Y | 40 | Very low | 39 | Very low | 174 Ų | 174 | 129.5 Ų | 129.5 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | trans | -93.7 | 95.6 | 176.8 | -70.2 | -80.2 | 0 | 0 | 0 | 110.5 | F364 | Y362-F364 PolarHBondContact O-N 2.79Å; Y362-F364 VanDerWaalsContact O-N 3.15Å | ||
| 363 | L | 39.1 | Very low | 39.5 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 90% | 0.895 | 70% | 0.703 | S | S | * | * | trans | -58.1 | 113.5 | 160.8 | -81.1 | 130.4 | 0 | 0 | 0 | 108.3 | Q361 | Q361-L363 PolarHBondContact O-N 3.07Š| ||
| 364 | F | 41.7 | Very low | 39.9 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 75% | 0.746 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 138.1 | 165.3 | -76.6 | -93.3 | 0 | 0 | 0 | 108.8 | Y362 D366 | Y362-F364 PolarHBondContact O-N 2.79Å; Y362-F364 VanDerWaalsContact O-N 3.15Å; F364-D366 PolarHBondContact O-N 2.95Å |
| 365 | P | 42.9 | Very low | 40.2 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 129 | 168.3 | -22.8 | 33.5 | 0 | 0 | 0 | 109.2 | ||
| 366 | D | 36.4 | Very low | 40 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 53% | 0.529 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -59 | 120.4 | -173.5 | -173.3 | 10.9 | 0 | 0 | 0 | 110.3 | F364 S368 Y369 | F364-D366 PolarHBondContact O-N 2.95Å; D366-S368 PolarHBondContact O-N 3.49Å; D366-S368 PolarHBondContact OD1-OG 3.42Å; D366-S368 PolarHBondContact OD2-OG 2.93Å; D366-Y369 HydrophobicContact CB-CD2 4.49Å; D366-Y369 PolarHBondContact O-N 3.15Å; D366-Y369 VanDerWaalsContact O-N 3.15Å |
| 367 | P | 42.7 | Very low | 39.8 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 60% | 0.597 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -13.2 | -174.1 | 23 | -34.8 | 0 | 0 | 0 | 114.1 | Y369 V370 | P367-Y369 VanDerWaalsContact C-N 3.25Å; P367-Y369 PolarHBondContact O-N 3.48Å; P367-V370 PolarHBondContact O-N 2.87Å |
| 368 | S | 37.6 | Very low | 39.9 | Very low | 55 Ų | 55 | 131.7 Ų | 131.7 | 39% | 0.385 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -53 | -37.6 | 170.3 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | D366 V370 | D366-S368 PolarHBondContact O-N 3.49Å; D366-S368 PolarHBondContact OD1-OG 3.42Å; D366-S368 PolarHBondContact OD2-OG 2.93Å; S368-V370 VanDerWaalsContact C-N 3.33Å; S368-V370 PolarHBondContact O-N 3.19Å |
| 369 | Y | 40.6 | Very low | 39.7 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -75.8 | -12.4 | -174.2 | -85.9 | -91.7 | 0 | 0 | 0 | 115.5 | D366 P367 | D366-Y369 HydrophobicContact CB-CD2 4.49Å; D366-Y369 PolarHBondContact O-N 3.15Å; D366-Y369 VanDerWaalsContact O-N 3.15Å; P367-Y369 VanDerWaalsContact C-N 3.25Å; P367-Y369 PolarHBondContact O-N 3.48Å |
| 370 | V | 47.1 | Very low | 39.3 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 58% | 0.582 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -92.8 | -23.4 | -174.3 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | P367 S368 | P367-V370 PolarHBondContact O-N 2.87Å; S368-V370 VanDerWaalsContact C-N 3.33Å; S368-V370 PolarHBondContact O-N 3.19Å |
| 371 | L | 42.9 | Very low | 38.9 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -99.2 | -17.6 | -172.3 | -74.7 | 167.2 | 0 | 0 | 0 | 115.1 | ||
| 372 | E | 41.9 | Very low | 38.8 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -91.6 | -6.7 | -177.8 | -71.1 | -159.8 | 140.1 | 0 | 0 | 115 | P374 | E372-P374 WeakPolarHBondContact O-CD 3.48Š|
| 373 | K | 41.2 | Very low | 38.5 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | -75.8 | 111.2 | -176.8 | -155.9 | 164.8 | -169.4 | 169.5 | 0 | 110.1 | L375 | K373-L375 PolarHBondContact O-N 2.93Š| ||
| 374 | P | 38.1 | Very low | 38 | Very low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | trans | -62.3 | 140.7 | 177.6 | 27 | -34.2 | 0 | 0 | 0 | 109.5 | E372 | E372-P374 WeakPolarHBondContact O-CD 3.48Š| ||
| 375 | L | 41 | Very low | 37.8 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 61% | 0.607 | 69% | 0.689 | S | S | * | * | trans | -52.6 | 140.4 | 177.6 | -69.9 | 169.7 | 0 | 0 | 0 | 110.3 | K373 S377 | K373-L375 PolarHBondContact O-N 2.93Å; L375-S377 PolarHBondContact O-N 3.5Å | ||
| 376 | P | 37.9 | Very low | 37.4 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 66% | 0.662 | 69% | 0.691 | S | S | * | * | trans | -55.6 | 109.2 | 172.9 | -24.1 | 33.8 | 0 | 0 | 0 | 110.2 | Y378 | P376-Y378 HydrophobicContact CB-CE2 4.32Å; P376-Y378 WeakPolarHBondContact O-CD2 3.37Å; P376-Y378 PolarHBondContact O-N 2.9Å | ||
| 377 | S | 33.5 | Very low | 37.5 | Very low | 94 Ų | 94 | 139 Ų | 139 | 66% | 0.657 | 71% | 0.709 | S | S | * | * | trans | -69.6 | 101.6 | 170.8 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | L375 H379 | L375-S377 PolarHBondContact O-N 3.5Å; S377-H379 PolarHBondContact O-N 2.77Å; S377-H379 PolarHBondContact OG-CD2 2.65Å | ||
| 378 | Y | 33.9 | Very low | 37.1 | Very low | 199 Ų | 199 | 143.1 Ų | 143.1 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | trans | -69.2 | 75.1 | 167.9 | -76.3 | -87 | 0 | 0 | 0 | 109.3 | P376 N380 | P376-Y378 HydrophobicContact CB-CE2 4.32Å; P376-Y378 WeakPolarHBondContact O-CD2 3.37Å; P376-Y378 PolarHBondContact O-N 2.9Å; Y378-N380 PolarHBondContact O-N 3.31Å | ||
| 379 | H | 34.8 | Very low | 37 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | trans | -64.1 | 93 | 159.3 | -102.3 | -81.5 | 0 | 0 | 0 | 107.9 | S377 N381 | S377-H379 PolarHBondContact O-N 2.77Å; S377-H379 PolarHBondContact OG-CD2 2.65Å; H379-N381 PolarHBondContact O-N 2.99Å | ||
| 380 | N | 35 | Very low | 36.7 | Very low | 133 Ų | 133 | 150 Ų | 150 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | -63.2 | 89.6 | 165.3 | -85.1 | -12.2 | 0 | 0 | 0 | 108.4 | Y378 V382 | Y378-N380 PolarHBondContact O-N 3.31Å; N380-V382 HydrophobicContact CB-CG2 4.2Å; N380-V382 PolarHBondContact O-N 3.46Å | ||
| 381 | N | 30.4 | Very low | 36.2 | Very low | 135 Ų | 135 | 151.1 Ų | 151.1 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | -68.6 | 63.5 | 166.6 | -74.8 | -19.5 | 0 | 0 | 0 | 109.8 | H379 F383 | H379-N381 PolarHBondContact O-N 2.99Å; N381-F383 PolarHBondContact O-N 2.74Å | ||
| 382 | V | 35.9 | Very low | 35.6 | Very low | 126 Ų | 126 | 154.9 Ų | 154.9 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | -92.7 | 86.4 | 172.4 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | N380 | N380-V382 HydrophobicContact CB-CG2 4.2Å; N380-V382 PolarHBondContact O-N 3.46Å | ||
| 383 | F | 33.2 | Very low | 35.4 | Very low | 180 Ų | 180 | 154.3 Ų | 154.3 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | trans | 9.5 | 125.6 | 152.9 | -79.6 | -96.9 | 0 | 0 | 0 | 118.5 | N381 S385 | N381-F383 PolarHBondContact O-N 2.74Å; F383-S385 PolarHBondContact O-N 2.87Å; F383-S385 VanDerWaalsContact O-N 3.09Å | ||
| 384 | D | 29.9 | Very low | 34.9 | Very low | 137 Ų | 137 | 152.4 Ų | 152.4 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -45.9 | 111.9 | 153.1 | -179.7 | 13.1 | 0 | 0 | 0 | 110.5 | ||||
| 385 | S | 37.9 | Very low | 34.4 | Very low | 103 Ų | 103 | 152.3 Ų | 152.3 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -155.1 | 98.2 | 172.6 | -81.1 | 0 | 0 | 0 | 0 | 109.7 | F383 H387 | F383-S385 PolarHBondContact O-N 2.87Å; F383-S385 VanDerWaalsContact O-N 3.09Å; S385-H387 PolarHBondContact O-N 3.47Å | ||
| 386 | R | 34.2 | Very low | 33.9 | Very low | 216 Ų | 216 | 153.2 Ų | 153.2 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | -61.2 | 101.4 | 174.7 | -54.7 | 169.4 | -168.3 | 178 | 1.9 | 110 | ||||
| 387 | H | 38.4 | Very low | 33.5 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 90% | 0.903 | 77% | 0.774 | S | S | * | * | trans | -165.4 | 107.2 | 147.3 | -95.1 | -60.9 | 0 | 0 | 0 | 110.5 | S385 | S385-H387 PolarHBondContact O-N 3.47Š| ||
| 388 | H | 34.1 | Very low | 33.3 | Very low | 179 Ų | 179 | 157 Ų | 157 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -82.6 | 118.5 | 168.6 | -80.1 | -52.6 | 0 | 0 | 0 | 110.4 | ||||
| 389 | E | 35.3 | Very low | 33.2 | Very low | 180 Ų | 180 | 156.1 Ų | 156.1 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -124.4 | 117.5 | 151.6 | -168.2 | 162.4 | -157.8 | 0 | 0 | 109 | V391 | E389-V391 PolarHBondContact O-N 3.35Š| ||
| 390 | R | 34.8 | Very low | 33 | Very low | 216 Ų | 216 | 157.8 Ų | 157.8 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | -88.6 | 92.8 | -175.9 | -73.4 | 179.3 | 174.6 | 140.5 | -2.7 | 109.8 | R392 | R390-R392 PolarHBondContact O-N 2.88Š| ||
| 391 | V | 35 | Very low | 33 | Very low | 119 Ų | 119 | 156.7 Ų | 156.7 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -69.7 | 109.5 | 166.7 | -178 | 0 | 0 | 0 | 0 | 108.7 | E389 L393 | E389-V391 PolarHBondContact O-N 3.35Å; V391-L393 HydrophobicContact CG1-CG 4.41Å | ||
| 392 | R | 31.4 | Very low | 33.1 | Very low | 210 Ų | 210 | 159.2 Ų | 159.2 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -77.7 | 119.5 | 164.9 | -69.3 | 175 | 107.7 | 107.4 | -3.2 | 107.7 | R390 | R390-R392 PolarHBondContact O-N 2.88Š| ||
| 393 | L | 37.2 | Very low | 32.8 | Very low | 163 Ų | 163 | 160 Ų | 160 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -97 | 107.7 | 159.3 | -71.4 | 173.4 | 0 | 0 | 0 | 107.3 | V391 | V391-L393 HydrophobicContact CG1-CG 4.41Š| ||
| 394 | D | 30.5 | Very low | 32.9 | Very low | 142 Ų | 142 | 159.3 Ų | 159.3 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | -73.1 | 155 | 174.9 | -78.4 | -43.1 | 0 | 0 | 0 | 111.3 | ||||
| 395 | S | 29.1 | Very low | 32.9 | Very low | 107 Ų | 107 | 159.5 Ų | 159.5 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -65.8 | 164.3 | -169.3 | -52.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 396 | T | 28.8 | Very low | 32.5 | Very low | 135 Ų | 135 | 165.4 Ų | 165.4 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | 83.9 | 80.5 | 164 | 71.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 397 | S | 30 | Very low | 32.6 | Very low | 114 Ų | 114 | 158.9 Ų | 158.9 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 173.1 | 89.2 | 135.2 | 38 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 398 | L | 30.1 | Very low | 32.2 | Very low | 161 Ų | 161 | 156 Ų | 156 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -122.3 | 78.6 | 157.4 | -80.8 | 173.4 | 0 | 0 | 0 | 108.4 | F400 | L398-F400 PolarHBondContact O-N 3.4Š| ||
| 399 | H | 30.8 | Very low | 32.2 | Very low | 180 Ų | 180 | 153.2 Ų | 153.2 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | -63.2 | 118.7 | 149.7 | -96.2 | -86.5 | 0 | 0 | 0 | 106.5 | P401 | H399-P401 WeakPolarHBondContact O-CD 3.29Š| ||
| 400 | F | 32 | Very low | 31.8 | Very low | 183 Ų | 183 | 150.4 Ų | 150.4 | 80% | 0.803 | 79% | 0.79 | S | S | * | * | trans | -64.9 | 126.4 | 163.6 | -71.9 | -85.6 | 0 | 0 | 0 | 107.5 | L398 E402 | L398-F400 PolarHBondContact O-N 3.4Å; F400-E402 PolarHBondContact O-N 3.41Å; F400-E402 VanDerWaalsContact O-N 3.08Å | ||
| 401 | P | 33.1 | Very low | 31.8 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | trans | -70 | 106.1 | 171.8 | 27.7 | -31.2 | 0 | 0 | 0 | 108.8 | H399 D403 | H399-P401 WeakPolarHBondContact O-CD 3.29Å; P401-D403 PolarHBondContact O-N 2.9Å | ||
| 402 | E | 32.5 | Very low | 31.7 | Very low | 188 Ų | 188 | 145.5 Ų | 145.5 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -65.3 | 84.2 | 149 | -68.6 | 177.6 | 130.5 | 0 | 0 | 106.8 | F400 | F400-E402 PolarHBondContact O-N 3.41Å; F400-E402 VanDerWaalsContact O-N 3.08Å |
| 403 | D | 30.8 | Very low | 31.7 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | 177.8 | 82.5 | 162.8 | -91.2 | -22.7 | 0 | 0 | 0 | 109.4 | P401 | P401-D403 PolarHBondContact O-N 2.9Š| ||
| 404 | L | 35.9 | Very low | 31.6 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -140.9 | 60.6 | 161.2 | -100.7 | 172.7 | 0 | 0 | 0 | 108.6 | ||||
| 405 | D | 30.1 | Very low | 31.7 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -66.1 | 144.9 | 160.9 | -104.7 | -30.2 | 0 | 0 | 0 | 110 | ||||
| 406 | Y | 29.3 | Very low | 31.9 | Very low | 228 Ų | 228 | 144.5 Ų | 144.5 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | 48.6 | 84.3 | 159.8 | -98.7 | -97.2 | 0 | 0 | 0 | 117.8 | ||||
| 407 | A | 35.5 | Very low | 32 | Very low | 79 Ų | 79 | 142.7 Ų | 142.7 | 65% | 0.653 | 78% | 0.779 | S | S | * | * | trans | -125.6 | 106.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110 | C409 | A407-C409 PolarHBondContact O-N 2.86Š| ||
| 408 | D | 29.2 | Very low | 32.2 | Very low | 134 Ų | 134 | 143 Ų | 143 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | -73.8 | 103.1 | 178.2 | -171.7 | -10.2 | 0 | 0 | 0 | 109.9 | T410 | D408-T410 PolarHBondContact OD1-OG1 2.83Š| ||
| 409 | C | 34.3 | Very low | 32.6 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -106.5 | 61.5 | 179 | -73.5 | 0 | 0 | 0 | 0 | 111.3 | A407 A411 | A407-C409 PolarHBondContact O-N 2.86Å; C409-A411 PolarHBondContact O-N 2.73Å | ||
| 410 | T | 27.8 | Very low | 32.9 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -90.6 | 88.3 | 167.8 | 40.6 | 0 | 0 | 0 | 0 | 111.3 | D408 | D408-T410 PolarHBondContact OD1-OG1 2.83Š| ||
| 411 | A | 34.7 | Very low | 33.1 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -151.8 | 101.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | C409 | C409-A411 PolarHBondContact O-N 2.73Š| ||
| 412 | N | 31.8 | Very low | 33.2 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | 43.7 | 127.6 | 75.8 | -79.1 | 13 | 0 | 0 | 0 | 114.9 | |||||
| 413 | D | 31.8 | Very low | 33.6 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 69.1 | 77.8 | 158.5 | -50.7 | -34.6 | 0 | 0 | 0 | 119.3 | ||||
| 414 | I | 35.5 | Very low | 34 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | trans | -131.6 | 107.2 | 146.3 | -51.3 | 178.6 | 0 | 0 | 0 | 109.9 | F416 | I414-F416 HydrophobicContact CG2-CD2 3.8Å; I414-F416 HydrophobicContact CG2-CE2 3.46Å; I414-F416 VanDerWaalsContact CG2-CE2 3.46Å; I414-F416 HydrophobicContact CG2-CZ 4.26Å | ||
| 415 | P | 31.8 | Very low | 34.2 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | -90.4 | 117.9 | 175.2 | 33.1 | -29.8 | 0 | 0 | 0 | 111.2 | ||||
| 416 | F | 34.9 | Very low | 34.8 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -103.7 | 113 | 166.7 | -82 | -74.6 | 0 | 0 | 0 | 110.7 | I414 | I414-F416 HydrophobicContact CG2-CD2 3.8Å; I414-F416 HydrophobicContact CG2-CE2 3.46Å; I414-F416 VanDerWaalsContact CG2-CE2 3.46Å; I414-F416 HydrophobicContact CG2-CZ 4.26Å | ||
| 417 | S | 30.8 | Very low | 35.6 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | -86.2 | 147 | 179.1 | -154.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 418 | P | 33.5 | Very low | 36.2 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -81.7 | 136.4 | -175 | 32.8 | -33.8 | 0 | 0 | 0 | 112.1 | ||||
| 419 | F | 38.5 | Very low | 36.8 | Very low | 201 Ų | 201 | 131.5 Ų | 131.5 | 88% | 0.882 | 74% | 0.738 | S | S | * | * | trans | -136 | 133.5 | 174.7 | -92.6 | -83.8 | 0 | 0 | 0 | 111.7 | ||||
| 420 | G | 36.9 | Very low | 37.4 | Very low | 79 Ų | 79 | 130.2 Ų | 130.2 | 81% | 0.814 | 73% | 0.727 | S | S | * | * | trans | 92.3 | 76 | 155.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 421 | E | 35.7 | Very low | 38.1 | Very low | 195 Ų | 195 | 131.2 Ų | 131.2 | 91% | 0.911 | 72% | 0.721 | S | S | * | * | trans | -76.2 | 118.3 | 159.7 | -65.3 | 175.9 | 162.4 | 0 | 0 | 109.8 | ||||
| 422 | E | 36.8 | Very low | 38.3 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | -130.1 | 106.6 | 158.1 | -171.2 | 168.2 | -163.8 | 0 | 0 | 108.2 | V424 | E422-V424 PolarHBondContact O-N 2.78Š| ||
| 423 | L | 39.2 | Very low | 38.6 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 91% | 0.906 | 72% | 0.723 | S | S | * | * | trans | -78.2 | 87.3 | -177 | -74.3 | 164.8 | 0 | 0 | 0 | 110.2 | D425 | L423-D425 PolarHBondContact O-N 2.8Š| ||
| 424 | V | 40.8 | Very low | 38.9 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 61% | 0.606 | 72% | 0.716 | S | S | * | * | trans | -74.7 | 109.2 | 166.4 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | E422 L426 L429 | E422-V424 PolarHBondContact O-N 2.78Å; V424-L426 PolarHBondContact O-N 2.74Å; V424-L429 HydrophobicContact CG1-CD1 3.89Å | ||
| 425 | D | 39.1 | Very low | 38.9 | Very low | 90 Ų | 90 | 129 Ų | 129 | 48% | 0.481 | 71% | 0.713 | S | S | . | * | trans | -65.3 | 114.4 | 175.7 | 175.3 | 17 | 0 | 0 | 0 | 110.8 | L423 H427 S428 | L423-D425 PolarHBondContact O-N 2.8Å; D425-H427 PolarHBondContact O-N 3.02Å; D425-H427 WeakPolarHBondContact OD1-CB 3.46Å; D425-H427 IonicContact OD1-CD2 3.77Å; D425-H427 IonicContact OD1-CG 3.89Å; D425-H427 PolarHBondContact OD1-N 3.17Å; D425-S428 PolarHBondContact O-N 3.07Å | ||
| 426 | L | 44 | Very low | 39.2 | Very low | 126 Ų | 126 | 131 Ų | 131 | 66% | 0.66 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -22.7 | -176.5 | -155.7 | 72 | 0 | 0 | 0 | 112.5 | V424 S428 L429 | V424-L426 PolarHBondContact O-N 2.74Å; L426-S428 VanDerWaalsContact C-N 3.28Å; L426-S428 PolarHBondContact O-N 3.11Å; L426-L429 PolarHBondContact O-N 2.87Å |
| 427 | H | 44.2 | Very low | 39.3 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 63% | 0.63 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -67.4 | -28 | 174.8 | -74.1 | -76 | 0 | 0 | 0 | 112.9 | D425 L429 F431 | D425-H427 PolarHBondContact O-N 3.02Å; D425-H427 WeakPolarHBondContact OD1-CB 3.46Å; D425-H427 IonicContact OD1-CD2 3.77Å; D425-H427 IonicContact OD1-CG 3.89Å; D425-H427 PolarHBondContact OD1-N 3.17Å; H427-L429 VanDerWaalsContact C-N 3.29Å; H427-L429 PolarHBondContact O-N 3.23Å; H427-F431 WeakPolarHBondContact O-CD2 3.49Å |
| 428 | S | 48.5 | Very low | 39.7 | Very low | 78 Ų | 78 | 129.8 Ų | 129.8 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -72.7 | -20.7 | 178.6 | -65.3 | 0 | 0 | 0 | 0 | 113.3 | D425 L426 | D425-S428 PolarHBondContact O-N 3.07Å; L426-S428 VanDerWaalsContact C-N 3.28Å; L426-S428 PolarHBondContact O-N 3.11Å |
| 429 | L | 42.7 | Very low | 39.7 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 60% | 0.602 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -92.3 | -11.6 | -177.8 | -74.6 | 168.2 | 0 | 0 | 0 | 114.5 | V424 L426 H427 | V424-L429 HydrophobicContact CG1-CD1 3.89Å; L426-L429 PolarHBondContact O-N 2.87Å; H427-L429 VanDerWaalsContact C-N 3.29Å; H427-L429 PolarHBondContact O-N 3.23Å |
| 430 | V | 47.1 | Very low | 39.7 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 57% | 0.57 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -90.5 | -21.4 | -177 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 431 | F | 42.7 | Very low | 39.9 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 62% | 0.623 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -90.4 | -26.4 | -177.7 | -73 | -73.7 | 0 | 0 | 0 | 115 | H427 S433 I434 | H427-F431 WeakPolarHBondContact O-CD2 3.49Å; F431-S433 PolarHBondContact O-N 3.48Å; F431-S433 VanDerWaalsContact O-N 3.08Å; F431-I434 PolarHBondContact O-N 3.42Å; F431-I434 VanDerWaalsContact O-N 3.14Å |
| 432 | D | 37.8 | Very low | 39.9 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 0.7 | -175.8 | -83.6 | -3.1 | 0 | 0 | 0 | 115 | ||
| 433 | S | 38.9 | Very low | 40.2 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 7.3 | 171.9 | -64.4 | 0 | 0 | 0 | 0 | 114 | F431 | F431-S433 PolarHBondContact O-N 3.48Å; F431-S433 VanDerWaalsContact O-N 3.08Å |
| 434 | I | 37 | Very low | 40.3 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 62% | 0.615 | 70% | 0.695 | S | S | * | * | trans | -110.7 | 68.5 | -179.4 | -46.4 | 179.7 | 0 | 0 | 0 | 110 | F431 | F431-I434 PolarHBondContact O-N 3.42Å; F431-I434 VanDerWaalsContact O-N 3.14Å | ||
| 435 | S | 37 | Very low | 40.3 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | trans | -113.7 | 143.3 | 161 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 436 | D | 36.7 | Very low | 40 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 87% | 0.872 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 74.5 | 36.2 | 174.7 | -55.8 | -18.5 | 0 | 0 | 0 | 119 | ||
| 437 | I | 38.2 | Very low | 39.8 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | -126.5 | 120.7 | 159.8 | -55.7 | -178.8 | 0 | 0 | 0 | 110.5 | ||||
| 438 | P | 38.1 | Very low | 39.8 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | trans | -70.2 | 134.4 | -179.7 | 28 | -33.7 | 0 | 0 | 0 | 111.9 | N440 | P438-N440 PolarHBondContact O-N 2.91Š| ||
| 439 | S | 33.7 | Very low | 39.7 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -63.1 | 111 | 179.9 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 440 | N | 38.2 | Very low | 39.6 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | trans | -165.1 | 69.7 | 155.6 | -93.4 | -29.4 | 0 | 0 | 0 | 108.3 | P438 D442 | P438-N440 PolarHBondContact O-N 2.91Å; N440-D442 PolarHBondContact O-N 3.43Å | ||
| 441 | V | 42.1 | Very low | 39.2 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | -87.9 | 102.2 | 165 | -179.9 | 0 | 0 | 0 | 0 | 106.6 | E443 | V441-E443 PolarHBondContact O-N 2.96Š| ||
| 442 | D | 35.4 | Very low | 39.3 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | trans | -73.6 | 112.6 | 175 | -158.1 | -30.8 | 0 | 0 | 0 | 107.8 | N440 T444 | N440-D442 PolarHBondContact O-N 3.43Å; D442-T444 VanDerWaalsContact CG-OG1 3.28Å; D442-T444 PolarHBondContact O-N 2.97Å; D442-T444 VanDerWaalsContact OD1-CG2 3.25Å; D442-T444 WeakPolarHBondContact OD1-CG2 3.29Å; D442-T444 PolarHBondContact OD1-OG1 3.44Å | ||
| 443 | E | 41.8 | Very low | 39.8 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 86% | 0.855 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 25.4 | -172.9 | -63.2 | -157.4 | 131.7 | 0 | 0 | 113.9 | V441 | V441-E443 PolarHBondContact O-N 2.96Š|
| 444 | T | 43.1 | Very low | 40.4 | Very low | 110 Ų | 110 | 128 Ų | 128 | 68% | 0.675 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 9.2 | -170 | 49.6 | 0 | 0 | 0 | 0 | 114 | D442 | D442-T444 VanDerWaalsContact CG-OG1 3.28Å; D442-T444 PolarHBondContact O-N 2.97Å; D442-T444 VanDerWaalsContact OD1-CG2 3.25Å; D442-T444 WeakPolarHBondContact OD1-CG2 3.29Å; D442-T444 PolarHBondContact OD1-OG1 3.44Å |
| 445 | S | 40.2 | Very low | 41 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | trans | -91.7 | 14.9 | -178.9 | 70 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 446 | F | 33.2 | Very low | 41.5 | Very low | 181 Ų | 181 | 130.2 Ų | 130.2 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -83.4 | 120.8 | 166.4 | -93.4 | -88.7 | 0 | 0 | 0 | 110.3 | P448 | F446-P448 WeakPolarHBondContact O-CD 3.44Š|
| 447 | D | 39.7 | Very low | 42.1 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 68% | 0.684 | 71% | 0.708 | S | S | * | * | trans | -68.1 | 116.2 | 176.2 | -170.5 | -16.3 | 0 | 0 | 0 | 109.4 | A449 | D447-A449 PolarHBondContact O-N 3.35Š| ||
| 448 | P | 43 | Very low | 42.5 | Very low | 128 Ų | 128 | 130 Ų | 130 | 83% | 0.831 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 13.4 | -170.5 | 32.3 | -37.8 | 0 | 0 | 0 | 114.1 | F446 Y450 | F446-P448 WeakPolarHBondContact O-CD 3.44Å; P448-Y450 VanDerWaalsContact C-N 3.31Å; P448-Y450 PolarHBondContact O-N 2.88Å |
| 449 | A | 47.8 | Very low | 42.7 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 56% | 0.562 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -9.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D447 | D447-A449 PolarHBondContact O-N 3.35Š|
| 450 | Y | 40.5 | Very low | 43 | Very low | 207 Ų | 207 | 135.2 Ų | 135.2 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | trans | -138.1 | 105.4 | 178.2 | -75.3 | -85.4 | 0 | 0 | 0 | 110.9 | P448 | P448-Y450 VanDerWaalsContact C-N 3.31Å; P448-Y450 PolarHBondContact O-N 2.88Å | ||
| 451 | D | 38.7 | Very low | 43.2 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 51% | 0.508 | 73% | 0.726 | S | S | . | * | trans | -73.4 | 128.1 | 165.6 | -165.7 | -30.2 | 0 | 0 | 0 | 108.6 | S453 D454 | D451-S453 PolarHBondContact O-N 3.37Å; D451-S453 VanDerWaalsContact O-N 3.13Å; D451-S453 WeakPolarHBondContact OD1-CB 3.27Å; D451-S453 PolarHBondContact OD1-N 3.24Å; D451-S453 PolarHBondContact OD1-OG 2.88Å; D451-D454 PolarHBondContact O-N 3.49Å | ||
| 452 | I | 43.9 | Very low | 43.3 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -59.5 | -25.1 | 177 | -63.4 | 170.5 | 0 | 0 | 0 | 110.3 | D454 L455 M456 | I452-D454 PolarHBondContact O-N 3.44Å; I452-L455 PolarHBondContact O-N 3.31Å; I452-M456 WeakPolarHBondContact O-CG 2.99Å; I452-M456 PolarHBondContact O-N 3.1Å |
| 453 | S | 48.9 | Very low | 43.7 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 46% | 0.455 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -63.6 | -34.7 | 174.9 | -46.2 | 0 | 0 | 0 | 0 | 113.6 | D451 M456 Q457 | D451-S453 PolarHBondContact O-N 3.37Å; D451-S453 VanDerWaalsContact O-N 3.13Å; D451-S453 WeakPolarHBondContact OD1-CB 3.27Å; D451-S453 PolarHBondContact OD1-N 3.24Å; D451-S453 PolarHBondContact OD1-OG 2.88Å; S453-M456 PolarHBondContact O-N 3.04Å; S453-Q457 PolarHBondContact O-N 3.18Å |
| 454 | D | 51.8 | Low | 43.8 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -72.8 | -32.5 | 178.8 | -82.8 | -15.4 | 0 | 0 | 0 | 111.4 | D451 I452 M456 | D451-D454 PolarHBondContact O-N 3.49Å; I452-D454 PolarHBondContact O-N 3.44Å; D454-M456 VanDerWaalsContact C-N 3.28Å; D454-M456 PolarHBondContact O-N 3.44Å |
| 455 | L | 49.9 | Very low | 43.8 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 67% | 0.665 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -70.4 | -26.9 | 175.5 | -159.1 | 71.5 | 0 | 0 | 0 | 112.2 | I452 | I452-L455 PolarHBondContact O-N 3.31Å |
| 456 | M | 46.8 | Very low | 44.1 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 66% | 0.655 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -78.8 | -26.3 | 178.8 | -74.2 | -79.7 | -65.9 | 0 | 0 | 113.6 | I452 S453 D454 H458 F459 | I452-M456 WeakPolarHBondContact O-CG 2.99Å; I452-M456 PolarHBondContact O-N 3.1Å; S453-M456 PolarHBondContact O-N 3.04Å; D454-M456 VanDerWaalsContact C-N 3.28Å; D454-M456 PolarHBondContact O-N 3.44Å; M456-H458 PolarHBondContact O-N 3.38Å; M456-H458 VanDerWaalsContact O-N 3.16Å; M456-F459 PolarHBondContact O-N 2.6Å |
| 457 | Q | 48.5 | Very low | 44.9 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -10 | -178.4 | -76.9 | -171.7 | 22.5 | 0 | 0 | 114.5 | S453 | S453-Q457 PolarHBondContact O-N 3.18Š|
| 458 | H | 48.3 | Very low | 45.3 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 3.1 | 177.5 | -66.1 | -29.8 | 0 | 0 | 0 | 114.4 | M456 | M456-H458 PolarHBondContact O-N 3.38Å; M456-H458 VanDerWaalsContact O-N 3.16Å |
| 459 | F | 41.8 | Very low | 45.5 | Very low | 181 Ų | 181 | 131.2 Ų | 131.2 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | trans | -126.9 | 16.6 | -176.4 | -65.5 | -78.4 | 0 | 0 | 0 | 114.7 | M456 | M456-F459 PolarHBondContact O-N 2.6Š| ||
| 460 | A | 38.7 | Very low | 45.2 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 100% | 1.331 | 71% | 0.714 | S | S | * | * | trans | -107.3 | 0 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 |
Retrieved 460 of 460 residues in 114.8 ms
(Link to these results)