| 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 | 40.9 | Very low | 57.2 | Low | 245 Ų | 245 | 159.5 Ų | 159.5 | 100% | 1.207 | 85% | 0.846 | S | S | * | * | 0 | 117.2 | 0 | -82.7 | 151.3 | 162.1 | 0 | 0 | 107.7 | |||||
| 2 | T | 61.2 | Low | 56.2 | Low | 148 Ų | 148 | 151.6 Ų | 151.6 | 91% | 0.908 | 83% | 0.832 | S | S | * | * | trans | -78.5 | 122 | -168.8 | 43 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | R | 64.2 | Low | 55.4 | Low | 186 Ų | 186 | 157.1 Ų | 157.1 | 70% | 0.702 | 83% | 0.832 | S | S | * | * | trans | -119.6 | 109.1 | 163.3 | 171.1 | 173.9 | 157.1 | 81.7 | 1.4 | 106.4 | E5 | R3-E5 IonicContact CZ-OE1 3.36Å; R3-E5 IonicContact CZ-OE2 3.47Å; R3-E5 IonicContact NH1-OE2 2.76Å; R3-E5 PolarHBondContact NH1-OE2 2.97Å; R3-E5 IonicContact NH2-OE1 3.07Å; R3-E5 PolarHBondContact NH2-OE1 2.95Å; R3-E5 IonicContact NH2-OE2 2.74Å; R3-E5 PolarHBondContact NH2-OE2 2.92Å | ||
| 4 | V | 69 | Low | 55.2 | Low | 148 Ų | 148 | 154.5 Ų | 154.5 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | -127.7 | 122.4 | 156 | -97.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 5 | E | 60.6 | Low | 55.2 | Low | 128 Ų | 128 | 150.7 Ų | 150.7 | 60% | 0.598 | 81% | 0.814 | S | S | * | * | trans | -80 | 149.8 | -165.3 | -176.7 | 138.7 | 72.4 | 0 | 0 | 110.7 | R3 D7 | R3-E5 IonicContact CZ-OE1 3.36Å; R3-E5 IonicContact CZ-OE2 3.47Å; R3-E5 IonicContact NH1-OE2 2.76Å; R3-E5 PolarHBondContact NH1-OE2 2.97Å; R3-E5 IonicContact NH2-OE1 3.07Å; R3-E5 PolarHBondContact NH2-OE1 2.95Å; R3-E5 IonicContact NH2-OE2 2.74Å; R3-E5 PolarHBondContact NH2-OE2 2.92Å; E5-D7 PolarHBondContact O-N 3.34Å | ||
| 6 | S | 59.5 | Low | 54.9 | Low | 112 Ų | 112 | 156.6 Ų | 156.6 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | trans | -50.1 | 117.5 | -177.7 | -45.8 | 0 | 0 | 0 | 0 | 113.6 | E8 | S6-E8 PolarHBondContact O-N 3.16Š| ||
| 7 | D | 54.9 | Low | 54.8 | Low | 161 Ų | 161 | 159.9 Ų | 159.9 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | -70.8 | 96.1 | 158.2 | -86.9 | -63.9 | 0 | 0 | 0 | 108.4 | E5 Q9 | E5-D7 PolarHBondContact O-N 3.34Å; D7-Q9 PolarHBondContact O-N 2.92Å | ||
| 8 | E | 56.9 | Low | 54.8 | Low | 187 Ų | 187 | 158.1 Ų | 158.1 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -58.9 | 102.8 | 167.2 | -130 | -175.9 | 108.7 | 0 | 0 | 108.1 | S6 P10 | S6-E8 PolarHBondContact O-N 3.16Å; E8-P10 WeakPolarHBondContact O-CD 3.13Å | ||
| 9 | Q | 50.3 | Low | 54.7 | Low | 176 Ų | 176 | 153.3 Ų | 153.3 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -68.8 | 114 | 170.3 | -95 | -149.5 | -17.6 | 0 | 0 | 109.2 | D7 T11 | D7-Q9 PolarHBondContact O-N 2.92Å; Q9-T11 PolarHBondContact O-N 3.24Å; Q9-T11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | P | 56.6 | Low | 54.8 | Low | 119 Ų | 119 | 153.4 Ų | 153.4 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -67.1 | 115.5 | 171.2 | 27.5 | -32.3 | 0 | 0 | 0 | 108.7 | E8 G12 | E8-P10 WeakPolarHBondContact O-CD 3.13Å; P10-G12 PolarHBondContact O-N 3.26Å | ||
| 11 | T | 55.5 | Low | 54.8 | Low | 144 Ų | 144 | 152.9 Ų | 152.9 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -68.2 | 62.4 | 168.9 | 48.1 | 0 | 0 | 0 | 0 | 110.4 | Q9 R13 | Q9-T11 PolarHBondContact O-N 3.24Å; Q9-T11 VanDerWaalsContact O-N 3.1Å; T11-R13 PolarHBondContact O-N 2.89Å | ||
| 12 | G | 44.6 | Very low | 55.5 | Low | 65 Ų | 65 | 146 Ų | 146 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | -87.3 | 83.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P10 | P10-G12 PolarHBondContact O-N 3.26Š| ||
| 13 | R | 46.1 | Very low | 55.3 | Low | 223 Ų | 223 | 148.1 Ų | 148.1 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -44.1 | 121.2 | 166.9 | -167.7 | -178.7 | -151.7 | -154.3 | 7.2 | 109.5 | T11 T15 | T11-R13 PolarHBondContact O-N 2.89Å; R13-T15 VanDerWaalsContact C-N 3.28Å; R13-T15 PolarHBondContact O-N 3.27Å; R13-T15 PolarHBondContact O-OG1 2.99Å | ||
| 14 | P | 52.9 | Low | 54.8 | Low | 121 Ų | 121 | 142.5 Ų | 142.5 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -66.4 | 94 | 178.3 | 23.8 | -30.5 | 0 | 0 | 0 | 108.5 | R16 | P14-R16 PolarHBondContact O-N 2.93Š| ||
| 15 | T | 54.5 | Low | 54.1 | Low | 98 Ų | 98 | 139.6 Ų | 139.6 | 60% | 0.601 | 76% | 0.76 | S | S | * | * | trans | -66.2 | 109 | 177.5 | -57 | 0 | 0 | 0 | 0 | 106.4 | R13 R17 | R13-T15 VanDerWaalsContact C-N 3.28Å; R13-T15 PolarHBondContact O-N 3.27Å; R13-T15 PolarHBondContact O-OG1 2.99Å; T15-R17 VanDerWaalsContact C-N 3.26Å; T15-R17 HydrophobicContact CG2-CG 4.04Å; T15-R17 PolarHBondContact O-N 3.33Å | ||
| 16 | R | 50.4 | Low | 53.8 | Low | 245 Ų | 245 | 138.8 Ų | 138.8 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | trans | -54.3 | 86.2 | 170.9 | -80.5 | 179.6 | 165.5 | -164.8 | -2.9 | 109.7 | P14 | P14-R16 PolarHBondContact O-N 2.93Š| ||
| 17 | R | 53.6 | Low | 53.9 | Low | 213 Ų | 213 | 141 Ų | 141 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -131.5 | 16.3 | 173.8 | -84.4 | -176.3 | 177.7 | 177.1 | 0.2 | 113.3 | T15 | T15-R17 VanDerWaalsContact C-N 3.26Å; T15-R17 HydrophobicContact CG2-CG 4.04Å; T15-R17 PolarHBondContact O-N 3.33Å | ||
| 18 | T | 54.1 | Low | 54.2 | Low | 127 Ų | 127 | 136.9 Ų | 136.9 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -2.7 | 179.7 | 36.5 | 0 | 0 | 0 | 0 | 115 | ||
| 19 | G | 53.2 | Low | 55 | Low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -16.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 20 | L | 57.6 | Low | 56.5 | Low | 155 Ų | 155 | 130.2 Ų | 130.2 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -108.4 | -22.9 | -168.2 | -62 | -179.4 | 0 | 0 | 0 | 115.1 | ||
| 21 | L | 55 | Low | 57.7 | Low | 142 Ų | 142 | 126.6 Ų | 126.6 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -26.6 | -177 | -167.5 | 72.2 | 0 | 0 | 0 | 113.2 | K23 A24 | L21-K23 PolarHBondContact O-N 3.06Å; L21-A24 PolarHBondContact O-N 3.07Å |
| 22 | V | 55.6 | Low | 59.1 | Low | 100 Ų | 100 | 127.4 Ų | 127.4 | 61% | 0.606 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.5 | -21.9 | -176 | -170.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 23 | K | 55.8 | Low | 61.1 | Low | 194 Ų | 194 | 131.2 Ų | 131.2 | 84% | 0.843 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -86.4 | -9.7 | -176.5 | -148 | 132.2 | 81.2 | 162.7 | 0 | 114.3 | L21 | L21-K23 PolarHBondContact O-N 3.06Å |
| 24 | A | 53.8 | Low | 63.4 | Low | 67 Ų | 67 | 125.8 Ų | 125.8 | 55% | 0.554 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -100.8 | -31.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L21 | L21-A24 PolarHBondContact O-N 3.07Å |
| 25 | A | 54.4 | Low | 65.3 | Low | 87 Ų | 87 | 125.8 Ų | 125.8 | 72% | 0.719 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -81.8 | -26.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | K27 | A25-K27 PolarHBondContact O-N 2.97Å |
| 26 | N | 55.7 | Low | 67.1 | Low | 112 Ų | 112 | 124 Ų | 124 | 60% | 0.599 | 63% | 0.628 | S | S | * | * | trans | -97.9 | 57.8 | 177.5 | -70.7 | -52.8 | 0 | 0 | 0 | 110.8 | P28 | N26-P28 VanDerWaalsContact C-N 3.29Å; N26-P28 VanDerWaalsContact O-CA 3.24Å; N26-P28 WeakPolarHBondContact O-CA 2.93Å; N26-P28 WeakPolarHBondContact O-CD 3.36Å | ||
| 27 | K | 60.2 | Low | 69.3 | Low | 159 Ų | 159 | 120.5 Ų | 120.5 | 69% | 0.691 | 62% | 0.615 | S | S | * | * | trans | -54.2 | 105.5 | 161.1 | -74 | -172.9 | -178.6 | -169.1 | 0 | 105.4 | A25 | A25-K27 PolarHBondContact O-N 2.97Š| ||
| 28 | P | 61 | Low | 71.3 | Confident | 73 Ų | 73 | 113.7 Ų | 113.7 | 47% | 0.474 | 59% | 0.594 | S | S | . | * | trans | -65.9 | 153.1 | -145.2 | 21.3 | -32.6 | 0 | 0 | 0 | 108.3 | N26 M30 E31 | N26-P28 VanDerWaalsContact C-N 3.29Å; N26-P28 VanDerWaalsContact O-CA 3.24Å; N26-P28 WeakPolarHBondContact O-CA 2.93Å; N26-P28 WeakPolarHBondContact O-CD 3.36Å; P28-M30 HydrophobicContact CB-CB 4.11Å; P28-M30 HydrophobicContact CB-CG 4.29Å; P28-M30 HydrophobicContact CG-CB 4.11Å; P28-M30 CarbonylContact O-C 3.53Å; P28-M30 PolarHBondContact O-N 3Å; P28-E31 PolarHBondContact O-N 3.05Å | ||
| 29 | L | 73.6 | Confident | 73.2 | Confident | 110 Ų | 110 | 111 Ų | 111 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -38.6 | -32.6 | 166.4 | 179 | 62.4 | 0 | 0 | 0 | 112.4 | K32 R33 | L29-K32 PolarHBondContact O-N 2.75Å; L29-R33 WeakPolarHBondContact O-CG 3.27Å; L29-R33 PolarHBondContact O-N 3.21Å |
| 30 | M | 81.5 | Confident | 75.1 | Confident | 114 Ų | 114 | 114.2 Ų | 114.2 | 56% | 0.562 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -56.8 | -42.6 | 172.4 | -57.6 | -50.2 | -68.2 | 0 | 0 | 115.1 | P28 R33 R34 | P28-M30 HydrophobicContact CB-CB 4.11Å; P28-M30 HydrophobicContact CB-CG 4.29Å; P28-M30 HydrophobicContact CG-CB 4.11Å; P28-M30 CarbonylContact O-C 3.53Å; P28-M30 PolarHBondContact O-N 3Å; M30-R33 PolarHBondContact O-N 3.21Å; M30-R34 WeakPolarHBondContact O-CB 3.15Å; M30-R34 PolarHBondContact O-N 2.86Å |
| 31 | E | 83.6 | Confident | 76.9 | Confident | 43 Ų | 43 | 109.7 Ų | 109.7 | 20% | 0.201 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -70 | -38.2 | 178.3 | 177.5 | 58.8 | -168 | 0 | 0 | 111.3 | P28 R34 R35 | P28-E31 PolarHBondContact O-N 3.05Å; E31-R34 PolarHBondContact O-N 2.81Å; E31-R34 IonicContact OE1-CZ 3.84Å; E31-R34 IonicContact OE1-NE 2.94Å; E31-R34 IonicContact OE1-NH2 2.67Å; E31-R34 PolarHBondContact OE1-NH2 2.81Å; E31-R34 IonicContact OE2-CZ 3.6Å; E31-R34 IonicContact OE2-NE 3.64Å; E31-R34 PolarHBondContact OE2-NE 2.83Å; E31-R34 IonicContact OE2-NH2 2.73Å; E31-R34 PolarHBondContact OE2-NH2 3.41Å; E31-R35 VanDerWaalsContact CG-NH2 3.26Å; E31-R35 WeakPolarHBondContact O-CG 3.41Å; E31-R35 PolarHBondContact O-N 3.09Å; E31-R35 IonicContact OE1-CZ 3.17Å; E31-R35 IonicContact OE1-NE 2.8Å; E31-R35 PolarHBondContact OE1-NE 2.91Å; E31-R35 IonicContact OE1-NH2 2.85Å; E31-R35 PolarHBondContact OE1-NH2 3.49Å |
| 32 | K | 84.5 | Confident | 78.7 | Confident | 160 Ų | 160 | 103.6 Ų | 103.6 | 70% | 0.696 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 171.3 | -174.5 | 177.1 | -179.5 | 178.8 | 0 | 110.9 | L29 R35 A36 | L29-K32 PolarHBondContact O-N 2.75Å; K32-R35 PolarHBondContact O-N 2.74Å; K32-A36 PolarHBondContact O-N 3.36Å |
| 33 | R | 87.2 | Confident | 80.5 | Confident | 145 Ų | 145 | 104 Ų | 104 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -42 | 175.2 | -74.4 | 177.4 | 174.5 | 179.2 | -1.9 | 112.2 | L29 M30 R35 A36 R37 | L29-R33 WeakPolarHBondContact O-CG 3.27Å; L29-R33 PolarHBondContact O-N 3.21Å; M30-R33 PolarHBondContact O-N 3.21Å; R33-R35 PolarHBondContact O-N 3.39Å; R33-A36 WeakPolarHBondContact O-CB 3.21Å; R33-A36 PolarHBondContact O-N 3.38Å; R33-R37 WeakPolarHBondContact O-CG 3.48Å; R33-R37 PolarHBondContact O-N 3.16Å |
| 34 | R | 93.3 | Very high | 82.2 | Confident | 109 Ų | 109 | 99.4 Ų | 99.4 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 176.9 | -169.5 | -171.4 | 69.7 | 87.1 | 3.5 | 111.3 | M30 E31 A36 R37 I38 | M30-R34 WeakPolarHBondContact O-CB 3.15Å; M30-R34 PolarHBondContact O-N 2.86Å; E31-R34 PolarHBondContact O-N 2.81Å; E31-R34 IonicContact OE1-CZ 3.84Å; E31-R34 IonicContact OE1-NE 2.94Å; E31-R34 IonicContact OE1-NH2 2.67Å; E31-R34 PolarHBondContact OE1-NH2 2.81Å; E31-R34 IonicContact OE2-CZ 3.6Å; E31-R34 IonicContact OE2-NE 3.64Å; E31-R34 PolarHBondContact OE2-NE 2.83Å; E31-R34 IonicContact OE2-NH2 2.73Å; E31-R34 PolarHBondContact OE2-NH2 3.41Å; R34-A36 VanDerWaalsContact C-N 3.35Å; R34-A36 PolarHBondContact O-N 3.14Å; R34-R37 PolarHBondContact O-N 2.98Å; R34-I38 HydrophobicContact CG-CD1 4.22Å; R34-I38 WeakPolarHBondContact O-CG1 3.49Å; R34-I38 PolarHBondContact O-N 3.2Å |
| 35 | R | 93 | Very high | 84 | Confident | 121 Ų | 121 | 98.6 Ų | 98.6 | 46% | 0.457 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 176.2 | -70.4 | 165.7 | -171.2 | 170.2 | 1 | 112.2 | E31 K32 R33 R37 I38 N39 | E31-R35 VanDerWaalsContact CG-NH2 3.26Å; E31-R35 WeakPolarHBondContact O-CG 3.41Å; E31-R35 PolarHBondContact O-N 3.09Å; E31-R35 IonicContact OE1-CZ 3.17Å; E31-R35 IonicContact OE1-NE 2.8Å; E31-R35 PolarHBondContact OE1-NE 2.91Å; E31-R35 IonicContact OE1-NH2 2.85Å; E31-R35 PolarHBondContact OE1-NH2 3.49Å; K32-R35 PolarHBondContact O-N 2.74Å; R33-R35 PolarHBondContact O-N 3.39Å; R35-R37 VanDerWaalsContact C-N 3.34Å; R35-R37 PolarHBondContact O-N 3.2Å; R35-I38 PolarHBondContact O-N 3.4Å; R35-N39 WeakPolarHBondContact O-CB 3.47Å; R35-N39 PolarHBondContact O-N 3.47Å |
| 36 | A | 92.9 | Very high | 85.6 | Confident | 61 Ų | 61 | 97.4 Ų | 97.4 | 50% | 0.504 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K32 R33 R34 N39 K40 | K32-A36 PolarHBondContact O-N 3.36Å; R33-A36 WeakPolarHBondContact O-CB 3.21Å; R33-A36 PolarHBondContact O-N 3.38Å; R34-A36 VanDerWaalsContact C-N 3.35Å; R34-A36 PolarHBondContact O-N 3.14Å; A36-N39 PolarHBondContact O-N 3.42Å; A36-K40 VanDerWaalsContact O-CB 3.3Å; A36-K40 WeakPolarHBondContact O-CB 3.19Å; A36-K40 PolarHBondContact O-N 2.8Å |
| 37 | R | 96.5 | Very high | 87.1 | Confident | 172 Ų | 172 | 95.1 Ų | 95.1 | 65% | 0.649 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.2 | -45.2 | 174.9 | -67.9 | -168.2 | -59.5 | -153.7 | 4 | 112.2 | R33 R34 R35 K40 S41 | R33-R37 WeakPolarHBondContact O-CG 3.48Å; R33-R37 PolarHBondContact O-N 3.16Å; R34-R37 PolarHBondContact O-N 2.98Å; R35-R37 VanDerWaalsContact C-N 3.34Å; R35-R37 PolarHBondContact O-N 3.2Å; R37-K40 PolarHBondContact O-N 2.95Å; R37-S41 PolarHBondContact O-N 3.34Å; R37-S41 PolarHBondContact O-OG 3.38Å |
| 38 | I | 94.5 | Very high | 88.3 | Confident | 70 Ų | 70 | 92.4 Ų | 92.4 | 36% | 0.359 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 178.8 | -68.9 | 167.8 | 0 | 0 | 0 | 111.1 | R34 R35 K40 S41 L42 | R34-I38 HydrophobicContact CG-CD1 4.22Å; R34-I38 WeakPolarHBondContact O-CG1 3.49Å; R34-I38 PolarHBondContact O-N 3.2Å; R35-I38 PolarHBondContact O-N 3.4Å; I38-K40 VanDerWaalsContact C-N 3.35Å; I38-S41 PolarHBondContact O-N 3.43Å; I38-L42 HydrophobicContact CG2-CD1 4.14Å; I38-L42 HydrophobicContact CG2-CG 4.45Å; I38-L42 WeakPolarHBondContact O-CG 2.89Å; I38-L42 PolarHBondContact O-N 2.81Å |
| 39 | N | 93.6 | Very high | 89.4 | Confident | 71 Ų | 71 | 89.1 Ų | 89.1 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 179.4 | -71 | -7.5 | 0 | 0 | 0 | 111.1 | R35 A36 S41 L42 D43 | R35-N39 WeakPolarHBondContact O-CB 3.47Å; R35-N39 PolarHBondContact O-N 3.47Å; A36-N39 PolarHBondContact O-N 3.42Å; N39-S41 VanDerWaalsContact C-N 3.33Å; N39-S41 PolarHBondContact O-N 3.41Å; N39-L42 WeakPolarHBondContact O-CB 3.34Å; N39-L42 PolarHBondContact O-N 3.36Å; N39-L42 VanDerWaalsContact O-N 3.11Å; N39-D43 PolarHBondContact O-N 3.4Å |
| 40 | K | 94.9 | Very high | 89.8 | Confident | 133 Ų | 133 | 87.7 Ų | 87.7 | 58% | 0.578 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -55.5 | -48.3 | 173.6 | 178.7 | 176 | 173.6 | 176.5 | 0 | 111.4 | A36 R37 I38 L42 D43 E44 | A36-K40 VanDerWaalsContact O-CB 3.3Å; A36-K40 WeakPolarHBondContact O-CB 3.19Å; A36-K40 PolarHBondContact O-N 2.8Å; R37-K40 PolarHBondContact O-N 2.95Å; I38-K40 VanDerWaalsContact C-N 3.35Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-L42 PolarHBondContact O-N 3.46Å; K40-D43 PolarHBondContact O-N 2.91Å; K40-E44 WeakPolarHBondContact CE-OE1 3.48Å; K40-E44 IonicContact NZ-OE1 3.99Å; K40-E44 WeakPolarHBondContact O-CG 3.1Å; K40-E44 PolarHBondContact O-N 2.7Å |
| 41 | S | 94 | Very high | 89.7 | Confident | 60 Ų | 60 | 84.5 Ų | 84.5 | 42% | 0.42 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 176.8 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | R37 I38 N39 E44 L45 | R37-S41 PolarHBondContact O-N 3.34Å; R37-S41 PolarHBondContact O-OG 3.38Å; I38-S41 PolarHBondContact O-N 3.43Å; N39-S41 VanDerWaalsContact C-N 3.33Å; N39-S41 PolarHBondContact O-N 3.41Å; S41-E44 PolarHBondContact O-N 3.03Å; S41-L45 WeakPolarHBondContact O-CB 3.23Å; S41-L45 WeakPolarHBondContact O-CG 3.44Å; S41-L45 PolarHBondContact O-N 2.98Å |
| 42 | L | 93.9 | Very high | 89.2 | Confident | 15 Ų | 15 | 85 Ų | 85 | 8% | 0.079 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 175.3 | -72.6 | 174.1 | 0 | 0 | 0 | 112.3 | I38 N39 K40 L45 K46 K65 I68 L69 | I38-L42 HydrophobicContact CG2-CD1 4.14Å; I38-L42 HydrophobicContact CG2-CG 4.45Å; I38-L42 WeakPolarHBondContact O-CG 2.89Å; I38-L42 PolarHBondContact O-N 2.81Å; N39-L42 WeakPolarHBondContact O-CB 3.34Å; N39-L42 PolarHBondContact O-N 3.36Å; N39-L42 VanDerWaalsContact O-N 3.11Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-L42 PolarHBondContact O-N 3.46Å; L42-L45 PolarHBondContact O-N 3.38Å; L42-K46 WeakPolarHBondContact O-CB 3.28Å; L42-K46 PolarHBondContact O-N 3.5Å; L42-K65 HydrophobicContact CD1-CD 3.98Å; L42-K65 HydrophobicContact CD1-CG 4.07Å; L42-I68 HydrophobicContact CD2-CB 4.49Å; L42-I68 HydrophobicContact CD2-CG2 4.03Å; L42-L69 HydrophobicContact CD2-CD2 4.13Å; L42-L69 HydrophobicContact CD2-CG 4.4Å |
| 43 | D | 91.5 | Very high | 88.4 | Confident | 109 Ų | 109 | 79.7 Ų | 79.7 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.5 | -43 | 177.4 | -67.1 | -27.8 | 0 | 0 | 0 | 111.2 | N39 K40 K46 A47 | N39-D43 PolarHBondContact O-N 3.4Å; K40-D43 PolarHBondContact O-N 2.91Å; D43-K46 PolarHBondContact O-N 3.37Å; D43-A47 PolarHBondContact O-N 2.91Å |
| 44 | E | 92.3 | Very high | 87.1 | Confident | 97 Ų | 97 | 81.3 Ų | 81.3 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 174.2 | -72.6 | 172.3 | -168 | 0 | 0 | 111.9 | K40 S41 K46 A47 M48 | K40-E44 WeakPolarHBondContact CE-OE1 3.48Å; K40-E44 IonicContact NZ-OE1 3.99Å; K40-E44 WeakPolarHBondContact O-CG 3.1Å; K40-E44 PolarHBondContact O-N 2.7Å; S41-E44 PolarHBondContact O-N 3.03Å; E44-K46 PolarHBondContact O-N 3.23Å; E44-A47 PolarHBondContact O-N 3.31Å; E44-M48 WeakPolarHBondContact O-CG 3.34Å; E44-M48 PolarHBondContact O-N 3.01Å |
| 45 | L | 91.3 | Very high | 85.4 | Confident | 50 Ų | 50 | 87.5 Ų | 87.5 | 26% | 0.262 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 175.9 | -72.9 | 172.4 | 0 | 0 | 0 | 111.3 | S41 L42 A47 M48 L49 I68 | S41-L45 WeakPolarHBondContact O-CB 3.23Å; S41-L45 WeakPolarHBondContact O-CG 3.44Å; S41-L45 PolarHBondContact O-N 2.98Å; L42-L45 PolarHBondContact O-N 3.38Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 3.35Å; L45-M48 HydrophobicContact CD2-CE 3.82Å; L45-M48 HydrophobicContact CG-CE 4.49Å; L45-M48 PolarHBondContact O-N 2.88Å; L45-L49 WeakPolarHBondContact O-CB 3.32Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.14Å; L45-I68 HydrophobicContact CB-CG2 3.83Å; L45-I68 HydrophobicContact CD1-CG2 4.48Å |
| 46 | K | 88.3 | Confident | 83.5 | Confident | 61 Ų | 61 | 85.1 Ų | 85.1 | 27% | 0.265 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 177.4 | -174.5 | -179.9 | 177.6 | -177.8 | 0 | 111.5 | L42 D43 E44 L49 M50 W63 I68 | L42-K46 WeakPolarHBondContact O-CB 3.28Å; L42-K46 PolarHBondContact O-N 3.5Å; D43-K46 PolarHBondContact O-N 3.37Å; E44-K46 PolarHBondContact O-N 3.23Å; K46-L49 PolarHBondContact O-N 3.27Å; K46-M50 HydrophobicContact CD-SD 4.48Å; K46-M50 HydrophobicContact CG-CG 4.39Å; K46-M50 HydrophobicContact CG-SD 3.97Å; K46-M50 WeakPolarHBondContact O-CB 3.19Å; K46-M50 VanDerWaalsContact O-CG 3.23Å; K46-M50 WeakPolarHBondContact O-CG 3.24Å; K46-M50 PolarHBondContact O-N 2.91Å; K46-W63 HydrophobicContact CD-CB 4.24Å; K46-W63 HydrophobicContact CD-CG 4.46Å; K46-W63 HydrophobicContact CG-CG 4.42Å; K46-I68 HydrophobicContact CB-CD1 4.36Å; K46-I68 HydrophobicContact CD-CD1 4.46Å |
| 47 | A | 87 | Confident | 81.7 | Confident | 64 Ų | 64 | 84.3 Ų | 84.3 | 53% | 0.529 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D43 E44 L45 L49 M50 G51 | D43-A47 PolarHBondContact O-N 2.91Å; E44-A47 PolarHBondContact O-N 3.31Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 3.35Å; A47-L49 PolarHBondContact O-N 3.25Å; A47-M50 PolarHBondContact O-N 2.9Å; A47-G51 PolarHBondContact O-N 3.01Å; A47-G51 VanDerWaalsContact O-N 3.09Å |
| 48 | M | 85.5 | Confident | 79.6 | Confident | 103 Ų | 103 | 82.3 Ų | 82.3 | 51% | 0.507 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 176.7 | -71.2 | -174.1 | -72.1 | 0 | 0 | 112.3 | E44 L45 G51 S52 | E44-M48 WeakPolarHBondContact O-CG 3.34Å; E44-M48 PolarHBondContact O-N 3.01Å; L45-M48 HydrophobicContact CD2-CE 3.82Å; L45-M48 HydrophobicContact CG-CE 4.49Å; L45-M48 PolarHBondContact O-N 2.88Å; M48-G51 PolarHBondContact O-N 2.98Å; M48-S52 PolarHBondContact O-N 3.29Å; M48-S52 VanDerWaalsContact O-N 3.16Å; M48-S52 PolarHBondContact O-OG 3.05Å; M48-S52 VanDerWaalsContact O-OG 3.14Å |
| 49 | L | 84.8 | Confident | 77.8 | Confident | 4 Ų | 4 | 82.7 Ų | 82.7 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.1 | -42.2 | 178.3 | -69.9 | 172.8 | 0 | 0 | 0 | 112.4 | L45 K46 A47 G51 S52 M53 W63 M71 Y75 | L45-L49 WeakPolarHBondContact O-CB 3.32Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.14Å; K46-L49 PolarHBondContact O-N 3.27Å; A47-L49 PolarHBondContact O-N 3.25Å; L49-G51 VanDerWaalsContact C-N 3.27Å; L49-G51 PolarHBondContact O-N 3.4Å; L49-S52 PolarHBondContact O-N 3.37Å; L49-S52 PolarHBondContact O-OG 3.28Å; L49-M53 WeakPolarHBondContact O-CB 3.31Å; L49-M53 PolarHBondContact O-N 3.49Å; L49-W63 HydrophobicContact CB-CH2 4.01Å; L49-W63 HydrophobicContact CB-CZ3 4.34Å; L49-W63 HydrophobicContact CD1-CE3 4.48Å; L49-W63 HydrophobicContact CD1-CH2 4.08Å; L49-W63 HydrophobicContact CD1-CZ3 3.64Å; L49-M71 HydrophobicContact CD1-CB 3.69Å; L49-M71 HydrophobicContact CD2-CB 4.15Å; L49-M71 WeakPolarHBondContact CD2-O 3.21Å; L49-Y75 HydrophobicContact CD2-CD1 4.35Å; L49-Y75 HydrophobicContact CD2-CG 3.98Å |
| 50 | M | 82.2 | Confident | 76.2 | Confident | 79 Ų | 79 | 82.3 Ų | 82.3 | 39% | 0.389 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.5 | -35.1 | 175.1 | -71.9 | 179.7 | 63.2 | 0 | 0 | 112.1 | K46 A47 H60 | K46-M50 HydrophobicContact CD-SD 4.48Å; K46-M50 HydrophobicContact CG-CG 4.39Å; K46-M50 HydrophobicContact CG-SD 3.97Å; K46-M50 WeakPolarHBondContact O-CB 3.19Å; K46-M50 VanDerWaalsContact O-CG 3.23Å; K46-M50 WeakPolarHBondContact O-CG 3.24Å; K46-M50 PolarHBondContact O-N 2.91Å; A47-M50 PolarHBondContact O-N 2.9Å; M50-H60 HydrophobicContact CE-CB 4.42Å |
| 51 | G | 78.2 | Confident | 74.6 | Confident | 47 Ų | 47 | 81.4 Ų | 81.4 | 49% | 0.485 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.3 | -40.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | A47 M48 L49 | A47-G51 PolarHBondContact O-N 3.01Å; A47-G51 VanDerWaalsContact O-N 3.09Å; M48-G51 PolarHBondContact O-N 2.98Å; L49-G51 VanDerWaalsContact C-N 3.27Å; L49-G51 PolarHBondContact O-N 3.4Å |
| 52 | S | 73.4 | Confident | 73.6 | Confident | 53 Ų | 53 | 86.2 Ų | 86.2 | 37% | 0.371 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -87.6 | -35.5 | -175.9 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | M48 L49 K54 Y75 | M48-S52 PolarHBondContact O-N 3.29Å; M48-S52 VanDerWaalsContact O-N 3.16Å; M48-S52 PolarHBondContact O-OG 3.05Å; M48-S52 VanDerWaalsContact O-OG 3.14Å; L49-S52 PolarHBondContact O-N 3.37Å; L49-S52 PolarHBondContact O-OG 3.28Å; S52-K54 VanDerWaalsContact C-N 3.32Å; S52-K54 PolarHBondContact O-N 2.94Å; S52-Y75 VanDerWaalsContact CB-CE2 3.43Å; S52-Y75 VanDerWaalsContact OG-CE2 3.28Å; S52-Y75 WeakPolarHBondContact OG-CE2 3.47Å |
| 53 | M | 67.4 | Low | 73 | Confident | 50 Ų | 50 | 86.4 Ų | 86.4 | 25% | 0.246 | 47% | 0.467 | C | S | . | . | trans | -92.7 | 42.6 | -175.4 | -158.4 | 69.6 | -99.1 | 0 | 0 | 112.3 | L49 R55 S56 V57 M71 | L49-M53 WeakPolarHBondContact O-CB 3.31Å; L49-M53 PolarHBondContact O-N 3.49Å; M53-R55 HydrophobicContact CE-CB 4.41Å; M53-R55 PolarHBondContact O-N 3.47Å; M53-S56 VanDerWaalsContact CE-CB 3.41Å; M53-S56 WeakPolarHBondContact CE-OG 3.25Å; M53-S56 WeakPolarHBondContact CG-OG 3.48Å; M53-S56 PolarHBondContact SD-OG 2.62Å; M53-V57 HydrophobicContact CG-CG2 4.13Å; M53-M71 HydrophobicContact CG-CE 3.99Å; M53-M71 HydrophobicContact SD-CE 4.21Å | ||
| 54 | K | 60.5 | Low | 72.8 | Confident | 179 Ų | 179 | 86.7 Ų | 86.7 | 78% | 0.778 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -7.4 | 175.7 | -72.1 | -178.2 | 178.6 | 171.5 | 0 | 114.4 | S52 | S52-K54 VanDerWaalsContact C-N 3.32Å; S52-K54 PolarHBondContact O-N 2.94Å |
| 55 | R | 57 | Low | 72.6 | Confident | 239 Ų | 239 | 88.2 Ų | 88.2 | 90% | 0.902 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -11 | -167.5 | -81.1 | -168.5 | -95.1 | -157.8 | -5 | 117.3 | M53 | M53-R55 HydrophobicContact CE-CB 4.41Å; M53-R55 PolarHBondContact O-N 3.47Å |
| 56 | S | 54.5 | Low | 72.6 | Confident | 70 Ų | 70 | 89.1 Ų | 89.1 | 49% | 0.49 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | -2.1 | -167.9 | 79 | 0 | 0 | 0 | 0 | 119 | M53 | M53-S56 VanDerWaalsContact CE-CB 3.41Å; M53-S56 WeakPolarHBondContact CE-OG 3.25Å; M53-S56 WeakPolarHBondContact CG-OG 3.48Å; M53-S56 PolarHBondContact SD-OG 2.62Å |
| 57 | V | 54.6 | Low | 72.5 | Confident | 45 Ų | 45 | 89.1 Ų | 89.1 | 27% | 0.273 | 49% | 0.487 | S | S | . | . | trans | -126.9 | 93.3 | -176.6 | -166.1 | 0 | 0 | 0 | 0 | 111.7 | M53 S59 M71 | M53-V57 HydrophobicContact CG-CG2 4.13Å; V57-S59 VanDerWaalsContact C-N 3.28Å; V57-S59 PolarHBondContact O-N 2.95Å; V57-M71 HydrophobicContact CG2-CE 4.23Å | ||
| 58 | P | 51.8 | Low | 72.7 | Confident | 130 Ų | 130 | 86.6 Ų | 86.6 | 84% | 0.844 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -77.7 | 81.1 | 173.1 | 32.6 | -30.3 | 0 | 0 | 0 | 108.9 | ||
| 59 | S | 56.3 | Low | 73.1 | Confident | 78 Ų | 78 | 86.1 Ų | 86.1 | 55% | 0.545 | 46% | 0.464 | S | S | . | . | trans | 160.4 | 71.1 | 154.4 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | V57 S61 | V57-S59 VanDerWaalsContact C-N 3.28Å; V57-S59 PolarHBondContact O-N 2.95Å; S59-S61 PolarHBondContact O-N 3.22Å | ||
| 60 | H | 60.4 | Low | 73.3 | Confident | 63 Ų | 63 | 91.8 Ų | 91.8 | 29% | 0.292 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -64.4 | -5.6 | 173.3 | -72.1 | -80.5 | 0 | 0 | 0 | 113.7 | M50 K62 W63 | M50-H60 HydrophobicContact CE-CB 4.42Å; H60-K62 PolarHBondContact O-N 3.11Å; H60-W63 AromaticContact CG-NE1 3.94Å; H60-W63 AromaticContact ND1-CE2 3.9Å; H60-W63 AromaticContact ND1-NE1 3.24Å; H60-W63 PolarHBondContact ND1-NE1 3Å |
| 61 | S | 61.3 | Low | 73.6 | Confident | 113 Ų | 113 | 89 Ų | 89 | 79% | 0.79 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -65.3 | -22.8 | -172.2 | -55.9 | 0 | 0 | 0 | 0 | 113.3 | S59 | S59-S61 PolarHBondContact O-N 3.22Š|
| 62 | K | 73.5 | Confident | 74.1 | Confident | 161 Ų | 161 | 87.4 Ų | 87.4 | 70% | 0.7 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -148.7 | 74.7 | -178 | -163.5 | 178.6 | 174.2 | -179 | 0 | 113.2 | H60 E64 | H60-K62 PolarHBondContact O-N 3.11Å; K62-E64 PolarHBondContact O-N 3.3Å |
| 63 | W | 80.4 | Confident | 74.9 | Confident | 20 Ų | 20 | 88 Ų | 88 | 8% | 0.076 | 46% | 0.459 | C | S | . | . | trans | -69.6 | 112.4 | 166.4 | -77.3 | 65.2 | 0 | 0 | 0 | 109.5 | K46 L49 H60 I68 M71 | K46-W63 HydrophobicContact CD-CB 4.24Å; K46-W63 HydrophobicContact CD-CG 4.46Å; K46-W63 HydrophobicContact CG-CG 4.42Å; L49-W63 HydrophobicContact CB-CH2 4.01Å; L49-W63 HydrophobicContact CB-CZ3 4.34Å; L49-W63 HydrophobicContact CD1-CE3 4.48Å; L49-W63 HydrophobicContact CD1-CH2 4.08Å; L49-W63 HydrophobicContact CD1-CZ3 3.64Å; H60-W63 AromaticContact CG-NE1 3.94Å; H60-W63 AromaticContact ND1-CE2 3.9Å; H60-W63 AromaticContact ND1-NE1 3.24Å; H60-W63 PolarHBondContact ND1-NE1 3Å; W63-I68 HydrophobicContact CB-CD1 4.14Å; W63-I68 HydrophobicContact CB-CG1 3.8Å; W63-I68 HydrophobicContact CD2-CG1 4.4Å; W63-I68 HydrophobicContact CE3-CB 4.36Å; W63-I68 HydrophobicContact CE3-CG1 3.72Å; W63-I68 HydrophobicContact CG-CG1 4.49Å; W63-M71 HydrophobicContact CH2-CB 3.87Å; W63-M71 HydrophobicContact CH2-CE 4.08Å; W63-M71 HydrophobicContact CH2-CG 3.67Å; W63-M71 HydrophobicContact CZ3-CB 3.54Å; W63-M71 HydrophobicContact CZ3-CG 3.48Å; W63-M71 VanDerWaalsContact CZ3-CG 3.48Å | ||
| 64 | E | 87.5 | Confident | 75.8 | Confident | 115 Ų | 115 | 90.4 Ų | 90.4 | 54% | 0.537 | 47% | 0.47 | S | S | . | . | trans | -74.7 | 156.5 | 171.4 | -60.2 | -163.6 | 143 | 0 | 0 | 110.2 | K62 A66 D67 I68 | K62-E64 PolarHBondContact O-N 3.3Å; E64-A66 PolarHBondContact O-N 3.15Å; E64-D67 HydrophobicContact CB-CB 4.38Å; E64-D67 WeakPolarHBondContact O-CB 3.27Å; E64-D67 PolarHBondContact O-N 3.41Å; E64-D67 VanDerWaalsContact O-N 3.11Å; E64-I68 WeakPolarHBondContact O-CG1 3.48Å; E64-I68 PolarHBondContact O-N 2.9Å | ||
| 65 | K | 89.2 | Confident | 77 | Confident | 128 Ų | 128 | 85.7 Ų | 85.7 | 56% | 0.557 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -58.2 | -36.8 | -179.6 | -68.1 | -171.4 | 174.5 | -173.9 | 0 | 112.4 | L42 L69 | L42-K65 HydrophobicContact CD1-CD 3.98Å; L42-K65 HydrophobicContact CD1-CG 4.07Å; K65-L69 VanDerWaalsContact O-CG 3.28Å; K65-L69 WeakPolarHBondContact O-CG 3.38Å; K65-L69 PolarHBondContact O-N 3.11Å |
| 66 | A | 90.3 | Very high | 78.5 | Confident | 69 Ų | 69 | 78.8 Ų | 78.8 | 57% | 0.57 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.7 | -44.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E64 I68 L69 E70 | E64-A66 PolarHBondContact O-N 3.15Å; A66-I68 PolarHBondContact O-N 3.45Å; A66-L69 PolarHBondContact O-N 2.91Å; A66-L69 VanDerWaalsContact O-N 3.15Å; A66-E70 PolarHBondContact O-N 3.4Å |
| 67 | D | 87.8 | Confident | 80 | Confident | 61 Ų | 61 | 84 Ų | 84 | 33% | 0.326 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 178.9 | -174.2 | 39.5 | 0 | 0 | 0 | 112 | E64 L69 E70 M71 | E64-D67 HydrophobicContact CB-CB 4.38Å; E64-D67 WeakPolarHBondContact O-CB 3.27Å; E64-D67 PolarHBondContact O-N 3.41Å; E64-D67 VanDerWaalsContact O-N 3.11Å; D67-L69 PolarHBondContact O-N 3.02Å; D67-E70 PolarHBondContact O-N 3.47Å; D67-M71 VanDerWaalsContact O-CB 3.27Å; D67-M71 WeakPolarHBondContact O-CB 3.49Å; D67-M71 VanDerWaalsContact O-CG 3.25Å; D67-M71 WeakPolarHBondContact O-CG 3.36Å; D67-M71 PolarHBondContact O-N 3.29Å |
| 68 | I | 89.9 | Confident | 81.3 | Confident | 11 Ų | 11 | 84.9 Ų | 84.9 | 6% | 0.056 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -54.9 | -44.4 | 173.9 | -63.3 | 168.8 | 0 | 0 | 0 | 110.7 | L42 L45 K46 W63 E64 A66 S72 | L42-I68 HydrophobicContact CD2-CB 4.49Å; L42-I68 HydrophobicContact CD2-CG2 4.03Å; L45-I68 HydrophobicContact CB-CG2 3.83Å; L45-I68 HydrophobicContact CD1-CG2 4.48Å; K46-I68 HydrophobicContact CB-CD1 4.36Å; K46-I68 HydrophobicContact CD-CD1 4.46Å; W63-I68 HydrophobicContact CB-CD1 4.14Å; W63-I68 HydrophobicContact CB-CG1 3.8Å; W63-I68 HydrophobicContact CD2-CG1 4.4Å; W63-I68 HydrophobicContact CE3-CB 4.36Å; W63-I68 HydrophobicContact CE3-CG1 3.72Å; W63-I68 HydrophobicContact CG-CG1 4.49Å; E64-I68 WeakPolarHBondContact O-CG1 3.48Å; E64-I68 PolarHBondContact O-N 2.9Å; A66-I68 PolarHBondContact O-N 3.45Å; I68-S72 VanDerWaalsContact O-CB 3.26Å; I68-S72 WeakPolarHBondContact O-CB 3.39Å; I68-S72 PolarHBondContact O-N 2.92Å; I68-S72 PolarHBondContact O-OG 2.87Å |
| 69 | L | 93.3 | Very high | 82.8 | Confident | 94 Ų | 94 | 82 Ų | 82 | 49% | 0.492 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.7 | -45.6 | -178 | -67.2 | 171.9 | 0 | 0 | 0 | 111.9 | L42 K65 A66 D67 S72 V73 | L42-L69 HydrophobicContact CD2-CD2 4.13Å; L42-L69 HydrophobicContact CD2-CG 4.4Å; K65-L69 VanDerWaalsContact O-CG 3.28Å; K65-L69 WeakPolarHBondContact O-CG 3.38Å; K65-L69 PolarHBondContact O-N 3.11Å; A66-L69 PolarHBondContact O-N 2.91Å; A66-L69 VanDerWaalsContact O-N 3.15Å; D67-L69 PolarHBondContact O-N 3.02Å; L69-S72 WeakPolarHBondContact O-CB 3.43Å; L69-S72 PolarHBondContact O-N 3.19Å; L69-V73 WeakPolarHBondContact O-CG2 3.48Å; L69-V73 PolarHBondContact O-N 3.29Å |
| 70 | E | 90.1 | Very high | 84 | Confident | 123 Ų | 123 | 87.7 Ų | 87.7 | 58% | 0.575 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.6 | -49.3 | 179.7 | -171.6 | 59.4 | -140.5 | 0 | 0 | 110.9 | A66 D67 S72 V73 Q74 | A66-E70 PolarHBondContact O-N 3.4Å; D67-E70 PolarHBondContact O-N 3.47Å; E70-S72 VanDerWaalsContact C-N 3.29Å; E70-S72 PolarHBondContact O-N 3.49Å; E70-V73 PolarHBondContact O-N 3.09Å; E70-V73 VanDerWaalsContact O-N 3.14Å; E70-Q74 PolarHBondContact O-N 3Å |
| 71 | M | 87.9 | Confident | 84.5 | Confident | 20 Ų | 20 | 86.3 Ų | 86.3 | 10% | 0.099 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.4 | -34.6 | 177.2 | -69.8 | -64.9 | -63.4 | 0 | 0 | 112.1 | L49 M53 V57 W63 D67 Q74 Y75 | L49-M71 HydrophobicContact CD1-CB 3.69Å; L49-M71 HydrophobicContact CD2-CB 4.15Å; L49-M71 WeakPolarHBondContact CD2-O 3.21Å; M53-M71 HydrophobicContact CG-CE 3.99Å; M53-M71 HydrophobicContact SD-CE 4.21Å; V57-M71 HydrophobicContact CG2-CE 4.23Å; W63-M71 HydrophobicContact CH2-CB 3.87Å; W63-M71 HydrophobicContact CH2-CE 4.08Å; W63-M71 HydrophobicContact CH2-CG 3.67Å; W63-M71 HydrophobicContact CZ3-CB 3.54Å; W63-M71 HydrophobicContact CZ3-CG 3.48Å; W63-M71 VanDerWaalsContact CZ3-CG 3.48Å; D67-M71 VanDerWaalsContact O-CB 3.27Å; D67-M71 WeakPolarHBondContact O-CB 3.49Å; D67-M71 VanDerWaalsContact O-CG 3.25Å; D67-M71 WeakPolarHBondContact O-CG 3.36Å; D67-M71 PolarHBondContact O-N 3.29Å; M71-Q74 PolarHBondContact O-N 3.28Å; M71-Q74 PolarHBondContact SD-OE1 3.25Å; M71-Q74 VanDerWaalsContact SD-OE1 3.41Å; M71-Y75 WeakPolarHBondContact O-CB 3.43Å; M71-Y75 PolarHBondContact O-N 3.4Å |
| 72 | S | 89.4 | Confident | 84.4 | Confident | 13 Ų | 13 | 86.6 Ų | 86.6 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 173.6 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | I68 L69 E70 Y75 V76 | I68-S72 VanDerWaalsContact O-CB 3.26Å; I68-S72 WeakPolarHBondContact O-CB 3.39Å; I68-S72 PolarHBondContact O-N 2.92Å; I68-S72 PolarHBondContact O-OG 2.87Å; L69-S72 WeakPolarHBondContact O-CB 3.43Å; L69-S72 PolarHBondContact O-N 3.19Å; E70-S72 VanDerWaalsContact C-N 3.29Å; E70-S72 PolarHBondContact O-N 3.49Å; S72-Y75 PolarHBondContact O-N 3.02Å; S72-V76 VanDerWaalsContact O-CG2 3.31Å; S72-V76 WeakPolarHBondContact O-CG2 3.26Å; S72-V76 PolarHBondContact O-N 3.28Å |
| 73 | V | 90.6 | Very high | 83.5 | Confident | 67 Ų | 67 | 84.4 Ų | 84.4 | 41% | 0.406 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | L69 E70 Y75 V76 R77 | L69-V73 WeakPolarHBondContact O-CG2 3.48Å; L69-V73 PolarHBondContact O-N 3.29Å; E70-V73 PolarHBondContact O-N 3.09Å; E70-V73 VanDerWaalsContact O-N 3.14Å; V73-Y75 VanDerWaalsContact C-N 3.33Å; V73-Y75 PolarHBondContact O-N 3.48Å; V73-V76 PolarHBondContact O-N 3.38Å; V73-R77 WeakPolarHBondContact O-CB 3.28Å; V73-R77 WeakPolarHBondContact O-CG 3.41Å; V73-R77 PolarHBondContact O-N 3.02Å |
| 74 | Q | 85.4 | Confident | 82 | Confident | 100 Ų | 100 | 85 Ų | 85 | 47% | 0.467 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.4 | -167.6 | -170.4 | 21.2 | 0 | 0 | 111.7 | E70 M71 R77 T78 | E70-Q74 PolarHBondContact O-N 3Å; M71-Q74 PolarHBondContact O-N 3.28Å; M71-Q74 PolarHBondContact SD-OE1 3.25Å; M71-Q74 VanDerWaalsContact SD-OE1 3.41Å; Q74-R77 PolarHBondContact O-N 3.23Å; Q74-T78 WeakPolarHBondContact O-CB 3.48Å; Q74-T78 PolarHBondContact O-N 3.5Å; Q74-T78 PolarHBondContact O-OG1 2.57Å |
| 75 | Y | 85.9 | Confident | 80 | Confident | 80 Ų | 80 | 83.5 Ų | 83.5 | 31% | 0.314 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 176.6 | 179.1 | -116.3 | 0 | 0 | 0 | 111.1 | L49 S52 M71 S72 V73 R77 T78 L79 | L49-Y75 HydrophobicContact CD2-CD1 4.35Å; L49-Y75 HydrophobicContact CD2-CG 3.98Å; S52-Y75 VanDerWaalsContact CB-CE2 3.43Å; S52-Y75 VanDerWaalsContact OG-CE2 3.28Å; S52-Y75 WeakPolarHBondContact OG-CE2 3.47Å; M71-Y75 WeakPolarHBondContact O-CB 3.43Å; M71-Y75 PolarHBondContact O-N 3.4Å; S72-Y75 PolarHBondContact O-N 3.02Å; V73-Y75 VanDerWaalsContact C-N 3.33Å; V73-Y75 PolarHBondContact O-N 3.48Å; Y75-R77 PolarHBondContact O-N 2.99Å; Y75-T78 WeakPolarHBondContact O-CB 3.37Å; Y75-T78 PolarHBondContact O-N 2.98Å; Y75-L79 HydrophobicContact CD1-CD1 3.86Å; Y75-L79 HydrophobicContact CD1-CG 4.48Å; Y75-L79 HydrophobicContact CD2-CG 4.42Å; Y75-L79 HydrophobicContact CE1-CD1 3.41Å; Y75-L79 VanDerWaalsContact CE1-CD1 3.41Å; Y75-L79 HydrophobicContact CE1-CG 4.19Å; Y75-L79 HydrophobicContact CE2-CD1 4.2Å; Y75-L79 HydrophobicContact CE2-CD2 4.18Å; Y75-L79 HydrophobicContact CE2-CG 4.08Å; Y75-L79 HydrophobicContact CG-CD1 4.43Å; Y75-L79 WeakPolarHBondContact O-CG 3.3Å; Y75-L79 PolarHBondContact O-N 3.49Å |
| 76 | V | 88 | Confident | 78.2 | Confident | 93 Ų | 93 | 86.3 Ų | 86.3 | 56% | 0.564 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | 177 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | S72 V73 L79 R80 | S72-V76 VanDerWaalsContact O-CG2 3.31Å; S72-V76 WeakPolarHBondContact O-CG2 3.26Å; S72-V76 PolarHBondContact O-N 3.28Å; V73-V76 PolarHBondContact O-N 3.38Å; V76-L79 PolarHBondContact O-N 3.27Å; V76-R80 WeakPolarHBondContact O-CB 3.41Å; V76-R80 PolarHBondContact O-N 2.73Å |
| 77 | R | 86.2 | Confident | 76 | Confident | 180 Ų | 180 | 91.9 Ų | 91.9 | 68% | 0.679 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 174 | -76.3 | -179.4 | 175.6 | 175.2 | 1.1 | 111.7 | V73 Q74 Y75 R80 G81 | V73-R77 WeakPolarHBondContact O-CB 3.28Å; V73-R77 WeakPolarHBondContact O-CG 3.41Å; V73-R77 PolarHBondContact O-N 3.02Å; Q74-R77 PolarHBondContact O-N 3.23Å; Y75-R77 PolarHBondContact O-N 2.99Å; R77-R80 PolarHBondContact O-N 3.36Å; R77-G81 PolarHBondContact O-N 2.91Å |
| 78 | T | 82.5 | Confident | 73.6 | Confident | 64 Ų | 64 | 94.9 Ų | 94.9 | 39% | 0.393 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.3 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | Q74 Y75 G81 Q82 | Q74-T78 WeakPolarHBondContact O-CB 3.48Å; Q74-T78 PolarHBondContact O-N 3.5Å; Q74-T78 PolarHBondContact O-OG1 2.57Å; Y75-T78 WeakPolarHBondContact O-CB 3.37Å; Y75-T78 PolarHBondContact O-N 2.98Å; T78-G81 CarbonylContact O-C 3.48Å; T78-G81 WeakPolarHBondContact O-CA 2.92Å; T78-G81 PolarHBondContact O-N 2.8Å; T78-Q82 HydrophobicContact CG2-CG 4.29Å; T78-Q82 VanDerWaalsContact CG2-NE2 3.3Å; T78-Q82 WeakPolarHBondContact O-CB 3.21Å; T78-Q82 VanDerWaalsContact O-CG 3.27Å; T78-Q82 WeakPolarHBondContact O-CG 3.5Å; T78-Q82 PolarHBondContact O-N 3.33Å |
| 79 | L | 83.9 | Confident | 71.7 | Confident | 68 Ų | 68 | 99.3 Ų | 99.3 | 36% | 0.356 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 175.3 | -73.9 | 176.9 | 0 | 0 | 0 | 111.9 | Y75 V76 G81 Q82 V83 | Y75-L79 HydrophobicContact CD1-CD1 3.86Å; Y75-L79 HydrophobicContact CD1-CG 4.48Å; Y75-L79 HydrophobicContact CD2-CG 4.42Å; Y75-L79 HydrophobicContact CE1-CD1 3.41Å; Y75-L79 VanDerWaalsContact CE1-CD1 3.41Å; Y75-L79 HydrophobicContact CE1-CG 4.19Å; Y75-L79 HydrophobicContact CE2-CD1 4.2Å; Y75-L79 HydrophobicContact CE2-CD2 4.18Å; Y75-L79 HydrophobicContact CE2-CG 4.08Å; Y75-L79 HydrophobicContact CG-CD1 4.43Å; Y75-L79 WeakPolarHBondContact O-CG 3.3Å; Y75-L79 PolarHBondContact O-N 3.49Å; V76-L79 PolarHBondContact O-N 3.27Å; L79-G81 VanDerWaalsContact C-N 3.27Å; L79-G81 PolarHBondContact O-N 2.85Å; L79-Q82 PolarHBondContact O-N 2.8Å; L79-V83 VanDerWaalsContact O-CG2 3.32Å; L79-V83 WeakPolarHBondContact O-CG2 3.49Å; L79-V83 PolarHBondContact O-N 2.81Å |
| 80 | R | 80.9 | Confident | 69.8 | Low | 198 Ų | 198 | 100.1 Ų | 100.1 | 75% | 0.747 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.6 | -38.8 | 175.7 | -175.6 | 177.1 | 179 | -171.8 | 0.2 | 111.5 | V76 R77 S84 | V76-R80 WeakPolarHBondContact O-CB 3.41Å; V76-R80 PolarHBondContact O-N 2.73Å; R77-R80 PolarHBondContact O-N 3.36Å; R80-S84 WeakPolarHBondContact O-CB 3.38Å; R80-S84 PolarHBondContact O-N 3.37Å; R80-S84 PolarHBondContact O-OG 2.74Å |
| 81 | G | 70 | Confident | 68.1 | Low | 34 Ų | 34 | 101.9 Ų | 101.9 | 35% | 0.351 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R77 T78 L79 S84 S85 | R77-G81 PolarHBondContact O-N 2.91Å; T78-G81 CarbonylContact O-C 3.48Å; T78-G81 WeakPolarHBondContact O-CA 2.92Å; T78-G81 PolarHBondContact O-N 2.8Å; L79-G81 VanDerWaalsContact C-N 3.27Å; L79-G81 PolarHBondContact O-N 2.85Å; G81-S84 CarbonylContact O-C 3.38Å; G81-S84 WeakPolarHBondContact O-CA 3.43Å; G81-S84 WeakPolarHBondContact O-CB 3.42Å; G81-S84 PolarHBondContact O-N 2.72Å; G81-S85 WeakPolarHBondContact O-CA 3.33Å; G81-S85 WeakPolarHBondContact O-CB 3.37Å; G81-S85 PolarHBondContact O-N 3.41Å |
| 82 | Q | 58.8 | Low | 66.2 | Low | 120 Ų | 120 | 108.2 Ų | 108.2 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -76 | -40.6 | 176.7 | -74.9 | 179.5 | 16.5 | 0 | 0 | 111.8 | T78 L79 S84 S85 R86 | T78-Q82 HydrophobicContact CG2-CG 4.29Å; T78-Q82 VanDerWaalsContact CG2-NE2 3.3Å; T78-Q82 WeakPolarHBondContact O-CB 3.21Å; T78-Q82 VanDerWaalsContact O-CG 3.27Å; T78-Q82 WeakPolarHBondContact O-CG 3.5Å; T78-Q82 PolarHBondContact O-N 3.33Å; L79-Q82 PolarHBondContact O-N 2.8Å; Q82-S84 PolarHBondContact O-N 3.37Å; Q82-S85 CarbonylContact O-C 3.53Å; Q82-S85 PolarHBondContact O-N 2.95Å; Q82-R86 PolarHBondContact O-N 3.35Å |
| 83 | V | 55.1 | Low | 64.2 | Low | 115 Ų | 115 | 118.5 Ų | 118.5 | 70% | 0.697 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.1 | -35.2 | 169 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | L79 | L79-V83 VanDerWaalsContact O-CG2 3.32Å; L79-V83 WeakPolarHBondContact O-CG2 3.49Å; L79-V83 PolarHBondContact O-N 2.81Å |
| 84 | S | 49.8 | Very low | 62.5 | Low | 33 Ų | 33 | 120.1 Ų | 120.1 | 23% | 0.231 | 60% | 0.601 | C | S | . | * | H | α-helix | trans | -76.1 | -23.7 | 175 | -73.6 | 0 | 0 | 0 | 0 | 115.8 | R80 G81 Q82 K92 | R80-S84 WeakPolarHBondContact O-CB 3.38Å; R80-S84 PolarHBondContact O-N 3.37Å; R80-S84 PolarHBondContact O-OG 2.74Å; G81-S84 CarbonylContact O-C 3.38Å; G81-S84 WeakPolarHBondContact O-CA 3.43Å; G81-S84 WeakPolarHBondContact O-CB 3.42Å; G81-S84 PolarHBondContact O-N 2.72Å; Q82-S84 PolarHBondContact O-N 3.37Å; S84-K92 VanDerWaalsContact CA-CE 3.45Å; S84-K92 WeakPolarHBondContact OG-CE 3.14Å; S84-K92 PolarHBondContact OG-NZ 2.73Å |
| 85 | S | 45.9 | Very low | 60.4 | Low | 83 Ų | 83 | 124.7 Ų | 124.7 | 58% | 0.58 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -107.7 | 11.7 | -174.9 | -159.1 | 0 | 0 | 0 | 0 | 112.7 | G81 Q82 K87 | G81-S85 WeakPolarHBondContact O-CA 3.33Å; G81-S85 WeakPolarHBondContact O-CB 3.37Å; G81-S85 PolarHBondContact O-N 3.41Å; Q82-S85 CarbonylContact O-C 3.53Å; Q82-S85 PolarHBondContact O-N 2.95Å; S85-K87 PolarHBondContact O-N 3.28Å |
| 86 | R | 50.2 | Low | 59 | Low | 186 Ų | 186 | 128.3 Ų | 128.3 | 70% | 0.702 | 64% | 0.642 | S | S | * | * | trans | -67.7 | 60 | 138.9 | -65.9 | -167.1 | -178.5 | 176.3 | 1.1 | 109.4 | Q82 C88 N89 | Q82-R86 PolarHBondContact O-N 3.35Å; R86-C88 CarbonylContact O-C 3.15Å; R86-C88 PolarHBondContact O-N 3.05Å; R86-N89 WeakPolarHBondContact O-CB 3.39Å; R86-N89 PolarHBondContact O-N 3.24Å; R86-N89 PolarHBondContact O-ND2 3.3Å | ||
| 87 | K | 43.4 | Very low | 57.1 | Low | 187 Ų | 187 | 131.8 Ų | 131.8 | 81% | 0.813 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -69.8 | 104.8 | 150.8 | -67.4 | 179.2 | 178.7 | 175.6 | 0 | 103.1 | S85 | S85-K87 PolarHBondContact O-N 3.28Š|
| 88 | C | 37.7 | Very low | 55.4 | Low | 124 Ų | 124 | 131.5 Ų | 131.5 | 84% | 0.838 | 65% | 0.654 | S | S | * | * | S | Bend | cis | -93.6 | 92.9 | 37.9 | 49.3 | 0 | 0 | 0 | 0 | 116.7 | R86 | R86-C88 CarbonylContact O-C 3.15Å; R86-C88 PolarHBondContact O-N 3.05Å |
| 89 | N | 50.5 | Low | 53.9 | Low | 103 Ų | 103 | 133.2 Ų | 133.2 | 55% | 0.551 | 66% | 0.661 | S | S | * | * | trans | -144.8 | 99.2 | 165.5 | -85.7 | -81.9 | 0 | 0 | 0 | 110.9 | R86 F91 | R86-N89 WeakPolarHBondContact O-CB 3.39Å; R86-N89 PolarHBondContact O-N 3.24Å; R86-N89 PolarHBondContact O-ND2 3.3Å; N89-F91 PolarHBondContact O-N 2.75Å | ||
| 90 | A | 53.6 | Low | 52.5 | Low | 112 Ų | 112 | 134.3 Ų | 134.3 | 93% | 0.926 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 20.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 91 | F | 54 | Low | 51.2 | Low | 159 Ų | 159 | 129.4 Ų | 129.4 | 70% | 0.697 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 13.9 | -169.8 | -136.2 | -95.8 | 0 | 0 | 0 | 115.3 | N89 R93 V94 | N89-F91 PolarHBondContact O-N 2.75Å; F91-R93 PolarHBondContact O-N 3.38Å; F91-V94 HydrophobicContact CE1-CB 4.27Å; F91-V94 HydrophobicContact CE1-CG2 4.23Å; F91-V94 HydrophobicContact CZ-CG2 4.47Å |
| 92 | K | 48.2 | Very low | 50.1 | Low | 154 Ų | 154 | 138.8 Ų | 138.8 | 67% | 0.67 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 12.5 | 177.2 | -88.4 | -169.5 | 172.9 | -151.2 | 0 | 116.3 | S84 | S84-K92 VanDerWaalsContact CA-CE 3.45Å; S84-K92 WeakPolarHBondContact OG-CE 3.14Å; S84-K92 PolarHBondContact OG-NZ 2.73Å |
| 93 | R | 48.1 | Very low | 49.4 | Very low | 229 Ų | 229 | 142.2 Ų | 142.2 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -3.8 | -176.6 | -145.4 | -175.5 | 175.3 | 144.8 | 0.8 | 116.1 | F91 | F91-R93 PolarHBondContact O-N 3.38Š|
| 94 | V | 54.8 | Low | 49 | Very low | 101 Ų | 101 | 145.3 Ų | 145.3 | 61% | 0.612 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -113.6 | -14.1 | -169.4 | -174 | 0 | 0 | 0 | 0 | 115.3 | F91 I96 | F91-V94 HydrophobicContact CE1-CB 4.27Å; F91-V94 HydrophobicContact CE1-CG2 4.23Å; F91-V94 HydrophobicContact CZ-CG2 4.47Å; V94-I96 PolarHBondContact O-N 3.22Å |
| 95 | F | 41.4 | Very low | 48.8 | Very low | 196 Ų | 196 | 152.7 Ų | 152.7 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -88 | 39.6 | -174.6 | -139.5 | -95.4 | 0 | 0 | 0 | 115.2 | F97 | F95-F97 PolarHBondContact O-N 2.78Š| ||
| 96 | I | 55.7 | Low | 49 | Very low | 155 Ų | 155 | 154.6 Ų | 154.6 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | trans | -91.9 | 36.8 | 165.8 | -35.5 | -164.7 | 0 | 0 | 0 | 109.3 | V94 F98 | V94-I96 PolarHBondContact O-N 3.22Å; I96-F98 PolarHBondContact O-N 2.67Å; I96-F98 VanDerWaalsContact O-N 3.09Å | ||
| 97 | F | 48.5 | Very low | 49.3 | Very low | 167 Ų | 167 | 155.3 Ų | 155.3 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | -86.9 | 60.4 | 175 | -151 | -91.5 | 0 | 0 | 0 | 109.2 | F95 | F95-F97 PolarHBondContact O-N 2.78Š| ||
| 98 | F | 50.7 | Low | 49.7 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | trans | -95.9 | 89.6 | 160.8 | -178.5 | -100 | 0 | 0 | 0 | 105.1 | I96 P100 | I96-F98 PolarHBondContact O-N 2.67Å; I96-F98 VanDerWaalsContact O-N 3.09Å; F98-P100 HydrophobicContact CD1-CG 4.24Å; F98-P100 HydrophobicContact CE1-CB 4.29Å; F98-P100 HydrophobicContact CE1-CG 4.42Å; F98-P100 WeakPolarHBondContact O-CD 3.24Å | ||
| 99 | D | 50.7 | Low | 50.8 | Low | 99 Ų | 99 | 154 Ų | 154 | 53% | 0.529 | 76% | 0.759 | S | S | . | * | trans | -76.5 | 112.5 | 173.6 | -161.5 | -36.8 | 0 | 0 | 0 | 108.2 | S101 | D99-S101 PolarHBondContact O-N 2.94Å; D99-S101 WeakPolarHBondContact OD1-CB 3.29Å; D99-S101 PolarHBondContact OD1-N 2.76Å; D99-S101 PolarHBondContact OD1-OG 3.06Å | ||
| 100 | P | 54.4 | Low | 50.9 | Low | 91 Ų | 91 | 156.3 Ų | 156.3 | 59% | 0.591 | 77% | 0.771 | S | S | * | * | trans | -80.8 | 14.4 | -175.3 | -5.3 | 24.9 | 0 | 0 | 0 | 113.6 | F98 Y102 | F98-P100 HydrophobicContact CD1-CG 4.24Å; F98-P100 HydrophobicContact CE1-CB 4.29Å; F98-P100 HydrophobicContact CE1-CG 4.42Å; F98-P100 WeakPolarHBondContact O-CD 3.24Å; P100-Y102 PolarHBondContact O-N 3.03Å | ||
| 101 | S | 53.3 | Low | 51.1 | Low | 96 Ų | 96 | 158.5 Ų | 158.5 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 15.5 | -172.9 | 40.7 | 0 | 0 | 0 | 0 | 115.8 | D99 | D99-S101 PolarHBondContact O-N 2.94Å; D99-S101 WeakPolarHBondContact OD1-CB 3.29Å; D99-S101 PolarHBondContact OD1-N 2.76Å; D99-S101 PolarHBondContact OD1-OG 3.06Å |
| 102 | Y | 47.8 | Very low | 51.9 | Low | 230 Ų | 230 | 159.4 Ų | 159.4 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 33.6 | 170.8 | -145.8 | -96.5 | 0 | 0 | 0 | 113.7 | P100 | P100-Y102 PolarHBondContact O-N 3.03Š|
| 103 | F | 44 | Very low | 52.2 | Low | 193 Ų | 193 | 157.9 Ų | 157.9 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -136 | 51.2 | 174.9 | -160.8 | -103.3 | 0 | 0 | 0 | 112.7 | ||||
| 104 | Q | 45.4 | Very low | 52.5 | Low | 179 Ų | 179 | 152.6 Ų | 152.6 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -150.6 | 62.6 | 174.5 | -158.2 | 133.5 | 23.7 | 0 | 0 | 114.9 | ||||
| 105 | E | 46.7 | Very low | 52.6 | Low | 188 Ų | 188 | 159.6 Ų | 159.6 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -141 | 107.7 | 158.5 | -101.4 | 162.1 | 83.9 | 0 | 0 | 103.7 | ||||
| 106 | T | 49.8 | Very low | 53.2 | Low | 124 Ų | 124 | 157.8 Ų | 157.8 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | -162.6 | 107 | 55.9 | 50.4 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 107 | K | 57.5 | Low | 53.1 | Low | 201 Ų | 201 | 157.9 Ų | 157.9 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -96.3 | 93.6 | 166.5 | -166.2 | -171.1 | -177.5 | -153.9 | 0 | 107.6 | P109 | K107-P109 VanDerWaalsContact O-CD 3.29Å; K107-P109 WeakPolarHBondContact O-CD 3.38Å | ||
| 108 | M | 51.5 | Low | 53.3 | Low | 156 Ų | 156 | 157.4 Ų | 157.4 | 77% | 0.768 | 82% | 0.815 | S | S | * | * | trans | -59.4 | 117.4 | 171.8 | -69.8 | -86.4 | -81.7 | 0 | 0 | 109.2 | L110 | M108-L110 PolarHBondContact O-N 3.1Š| ||
| 109 | P | 60.8 | Low | 53.5 | Low | 126 Ų | 126 | 156.4 Ų | 156.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -79 | 105.2 | 171.7 | 29.6 | -28.2 | 0 | 0 | 0 | 109 | K107 | K107-P109 VanDerWaalsContact O-CD 3.29Å; K107-P109 WeakPolarHBondContact O-CD 3.38Å | ||
| 110 | L | 52.1 | Low | 53.6 | Low | 153 Ų | 153 | 160 Ų | 160 | 80% | 0.801 | 84% | 0.836 | S | S | * | * | trans | -96.3 | 83.5 | 164.4 | -72.9 | 172.6 | 0 | 0 | 0 | 107.6 | M108 | M108-L110 PolarHBondContact O-N 3.1Š| ||
| 111 | D | 56.9 | Low | 53.6 | Low | 158 Ų | 158 | 164.6 Ų | 164.6 | 85% | 0.845 | 85% | 0.853 | S | S | * | * | trans | -141.6 | 96.3 | 154.4 | -105.6 | -41.8 | 0 | 0 | 0 | 107.2 | P113 | D111-P113 WeakPolarHBondContact O-CD 3.11Š| ||
| 112 | M | 71 | Confident | 53.6 | Low | 177 Ų | 177 | 169.5 Ų | 169.5 | 87% | 0.872 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 116.8 | 169.1 | -87 | -75.9 | -138.6 | 0 | 0 | 107.4 | S114 | M112-S114 PolarHBondContact O-N 3.39Š|
| 113 | P | 54.6 | Low | 54.1 | Low | 122 Ų | 122 | 164.8 Ų | 164.8 | 79% | 0.792 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -72 | 124.2 | 173.1 | 27.8 | -30.9 | 0 | 0 | 0 | 110 | D111 | D111-P113 WeakPolarHBondContact O-CD 3.11Š|
| 114 | S | 55.4 | Low | 54.9 | Low | 119 Ų | 119 | 162.5 Ų | 162.5 | 83% | 0.832 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 133.3 | 169.2 | -45.4 | 0 | 0 | 0 | 0 | 111.1 | M112 | M112-S114 PolarHBondContact O-N 3.39Š|
| 115 | L | 56.9 | Low | 55.8 | Low | 247 Ų | 247 | 161 Ų | 161 | 100% | 1.293 | 87% | 0.867 | S | S | * | * | trans | -144.8 | 0 | 154 | -110 | 160.8 | 0 | 0 | 0 | 108.2 |
Retrieved 115 of 115 residues in 24.1 ms
(Link to these results)