| 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 | 58.8 | Low | 55 | Low | 244 Ų | 244 | 151.8 Ų | 151.8 | 100% | 1.202 | 82% | 0.821 | S | S | * | * | 0 | 104.9 | 0 | -77.2 | 171.8 | 179.1 | 0 | 0 | 107.8 | |||||
| 2 | I | 51 | Low | 55.1 | Low | 175 Ų | 175 | 155.4 Ų | 155.4 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | -91.1 | 122.5 | 175.8 | 34 | 170.1 | 0 | 0 | 0 | 107.9 | S4 | I2-S4 PolarHBondContact O-N 3.37Š| ||
| 3 | M | 52.1 | Low | 55.8 | Low | 190 Ų | 190 | 154 Ų | 154 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -77.7 | 104 | 176.9 | -65.7 | -170.9 | 71.5 | 0 | 0 | 108.5 | S5 | M3-S5 PolarHBondContact O-N 3.17Š| ||
| 4 | S | 48.7 | Very low | 56.6 | Low | 100 Ų | 100 | 150.7 Ų | 150.7 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -65.1 | 116.6 | 172.6 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | I2 Y6 | I2-S4 PolarHBondContact O-N 3.37Å; S4-Y6 PolarHBondContact O-N 3.24Å | ||
| 5 | S | 51.3 | Low | 56.7 | Low | 104 Ų | 104 | 145.5 Ų | 145.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -84.9 | 102.1 | 172.2 | 55 | 0 | 0 | 0 | 0 | 109.5 | M3 L7 | M3-S5 PolarHBondContact O-N 3.17Å; S5-L7 VanDerWaalsContact C-N 3.31Å; S5-L7 PolarHBondContact O-N 3.12Å | ||
| 6 | Y | 54.4 | Low | 57.8 | Low | 196 Ų | 196 | 147.9 Ų | 147.9 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -69.9 | 92.1 | 161.9 | -83.4 | -94 | 0 | 0 | 0 | 108.6 | S4 M8 | S4-Y6 PolarHBondContact O-N 3.24Å; Y6-M8 VanDerWaalsContact C-N 3.28Å; Y6-M8 HydrophobicContact CD1-CE 3.76Å; Y6-M8 HydrophobicContact CG-CE 4.45Å; Y6-M8 PolarHBondContact O-N 2.79Å | ||
| 7 | L | 66.4 | Low | 58 | Low | 159 Ų | 159 | 149.2 Ų | 149.2 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -76.2 | 95.3 | 155 | -134.7 | 132.7 | 0 | 0 | 0 | 104.6 | S5 D9 | S5-L7 VanDerWaalsContact C-N 3.31Å; S5-L7 PolarHBondContact O-N 3.12Å; L7-D9 PolarHBondContact O-N 3.3Å | ||
| 8 | M | 58.8 | Low | 58.7 | Low | 128 Ų | 128 | 145.1 Ų | 145.1 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | trans | -49.2 | 124.4 | 167.7 | -75.8 | -80.2 | 110.3 | 0 | 0 | 107.5 | Y6 S10 | Y6-M8 VanDerWaalsContact C-N 3.28Å; Y6-M8 HydrophobicContact CD1-CE 3.76Å; Y6-M8 HydrophobicContact CG-CE 4.45Å; Y6-M8 PolarHBondContact O-N 2.79Å; M8-S10 PolarHBondContact O-N 3.46Å | ||
| 9 | D | 55.4 | Low | 58.9 | Low | 172 Ų | 172 | 141.8 Ų | 141.8 | 92% | 0.92 | 74% | 0.743 | S | S | * | * | trans | -57.4 | 75.8 | 164 | -79.7 | -41.9 | 0 | 0 | 0 | 109.1 | L7 | L7-D9 PolarHBondContact O-N 3.3Š| ||
| 10 | S | 51 | Low | 58.6 | Low | 98 Ų | 98 | 140 Ų | 140 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | -84.6 | 110.2 | 156.9 | -71.7 | 0 | 0 | 0 | 0 | 105.1 | M8 Y12 | M8-S10 PolarHBondContact O-N 3.46Å; S10-Y12 PolarHBondContact O-N 3.48Å | ||
| 11 | S | 56.8 | Low | 58.7 | Low | 104 Ų | 104 | 140.5 Ų | 140.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -51.4 | 91.8 | 161 | 28.5 | 0 | 0 | 0 | 0 | 108 | I13 | S11-I13 WeakPolarHBondContact O-CD1 3.49Å; S11-I13 PolarHBondContact O-N 3Å | ||
| 12 | Y | 56.7 | Low | 58.4 | Low | 195 Ų | 195 | 135.3 Ų | 135.3 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | -69.4 | 89.3 | 174.7 | -172 | -92 | 0 | 0 | 0 | 106.1 | S10 D14 | S10-Y12 PolarHBondContact O-N 3.48Å; Y12-D14 HydrophobicContact CD1-CB 4.36Å; Y12-D14 HydrophobicContact CE1-CB 4.26Å; Y12-D14 PolarHBondContact O-N 3.18Å | ||
| 13 | I | 64.6 | Low | 58.5 | Low | 137 Ų | 137 | 135.8 Ų | 135.8 | 70% | 0.703 | 70% | 0.704 | S | S | * | * | trans | -64.4 | 99.2 | 162.7 | -81.6 | 80.4 | 0 | 0 | 0 | 104.6 | S11 P15 | S11-I13 WeakPolarHBondContact O-CD1 3.49Å; S11-I13 PolarHBondContact O-N 3Å; I13-P15 WeakPolarHBondContact O-CD 3.46Å | ||
| 14 | D | 66.7 | Low | 58.7 | Low | 108 Ų | 108 | 131.2 Ų | 131.2 | 58% | 0.578 | 69% | 0.691 | S | S | * | * | trans | -56 | 119.6 | 162.8 | -173.9 | 32.4 | 0 | 0 | 0 | 106.5 | Y12 K16 | Y12-D14 HydrophobicContact CD1-CB 4.36Å; Y12-D14 HydrophobicContact CE1-CB 4.26Å; Y12-D14 PolarHBondContact O-N 3.18Å; D14-K16 VanDerWaalsContact C-N 3.33Å; D14-K16 PolarHBondContact O-N 3.37Å | ||
| 15 | P | 58 | Low | 58.9 | Low | 73 Ų | 73 | 133.3 Ų | 133.3 | 47% | 0.474 | 69% | 0.69 | S | S | . | * | trans | -60.3 | 102.1 | 178.1 | 24 | -32 | 0 | 0 | 0 | 107.6 | I13 F17 | I13-P15 WeakPolarHBondContact O-CD 3.46Å; P15-F17 VanDerWaalsContact C-N 3.28Å; P15-F17 HydrophobicContact CG-CE2 4.34Å; P15-F17 VanDerWaalsContact O-CD2 3.28Å; P15-F17 WeakPolarHBondContact O-CD2 3.31Å; P15-F17 PolarHBondContact O-N 3.39Å | ||
| 16 | K | 74.3 | Confident | 58.7 | Low | 184 Ų | 184 | 134.1 Ų | 134.1 | 80% | 0.8 | 69% | 0.686 | S | S | * | * | trans | -64.6 | 93.8 | 175.7 | -169.7 | 80.4 | 177.4 | -177.2 | 0 | 106.8 | D14 | D14-K16 VanDerWaalsContact C-N 3.33Å; D14-K16 PolarHBondContact O-N 3.37Å | ||
| 17 | F | 61.7 | Low | 58.5 | Low | 169 Ų | 169 | 130 Ų | 130 | 74% | 0.741 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 128.2 | 170 | -76.2 | -85.4 | 0 | 0 | 0 | 107.6 | P15 | P15-F17 VanDerWaalsContact C-N 3.28Å; P15-F17 HydrophobicContact CG-CE2 4.34Å; P15-F17 VanDerWaalsContact O-CD2 3.28Å; P15-F17 WeakPolarHBondContact O-CD2 3.31Å; P15-F17 PolarHBondContact O-N 3.39Å |
| 18 | P | 69.9 | Low | 57.8 | Low | 75 Ų | 75 | 132.6 Ų | 132.6 | 49% | 0.487 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -50.6 | 135.1 | 176.3 | -25.2 | 32.5 | 0 | 0 | 0 | 109.4 | C20 | P18-C20 PolarHBondContact O-N 2.69Š|
| 19 | P | 62.3 | Low | 57.7 | Low | 84 Ų | 84 | 132.9 Ų | 132.9 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -50.5 | 128.3 | 173.5 | -21.8 | 31.1 | 0 | 0 | 0 | 109.2 | E21 E22 | P19-E21 PolarHBondContact O-N 3.19Å; P19-E22 PolarHBondContact O-N 3.2Å |
| 20 | C | 53.6 | Low | 57.4 | Low | 105 Ų | 105 | 129 Ų | 129 | 71% | 0.709 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -16.3 | -176.5 | -168.9 | 0 | 0 | 0 | 0 | 113.1 | P18 E22 Y23 | P18-C20 PolarHBondContact O-N 2.69Å; C20-E22 VanDerWaalsContact C-N 3.26Å; C20-E22 PolarHBondContact O-N 3.31Å; C20-Y23 PolarHBondContact O-N 2.74Å |
| 21 | E | 59.2 | Low | 57.4 | Low | 151 Ų | 151 | 132.1 Ų | 132.1 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -62.1 | -29.7 | 179.4 | -68.4 | -174 | 154.6 | 0 | 0 | 113.1 | P19 Y23 S24 Q25 | P19-E21 PolarHBondContact O-N 3.19Å; E21-Y23 VanDerWaalsContact C-N 3.27Å; E21-Y23 PolarHBondContact O-N 3.34Å; E21-S24 PolarHBondContact O-N 3.01Å; E21-S24 PolarHBondContact O-OG 2.73Å; E21-Q25 PolarHBondContact O-OE1 2.86Å |
| 22 | E | 54.2 | Low | 57 | Low | 135 Ų | 135 | 132.5 Ų | 132.5 | 63% | 0.631 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -75.5 | -18.1 | -178.4 | -146.8 | 173.2 | -164.7 | 0 | 0 | 112.8 | P19 C20 Q25 | P19-E22 PolarHBondContact O-N 3.2Å; C20-E22 VanDerWaalsContact C-N 3.26Å; C20-E22 PolarHBondContact O-N 3.31Å; E22-Q25 PolarHBondContact O-N 3.24Å |
| 23 | Y | 52.8 | Low | 56.6 | Low | 185 Ų | 185 | 125.8 Ų | 125.8 | 73% | 0.725 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75.2 | -24.7 | 175.4 | -78.3 | -81.4 | 0 | 0 | 0 | 113.2 | C20 E21 | C20-Y23 PolarHBondContact O-N 2.74Å; E21-Y23 VanDerWaalsContact C-N 3.27Å; E21-Y23 PolarHBondContact O-N 3.34Å |
| 24 | S | 55.2 | Low | 56.1 | Low | 94 Ų | 94 | 123.3 Ų | 123.3 | 66% | 0.657 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -82.1 | -21.4 | 174.2 | 46.1 | 0 | 0 | 0 | 0 | 113.6 | E21 | E21-S24 PolarHBondContact O-N 3.01Å; E21-S24 PolarHBondContact O-OG 2.73Å |
| 25 | Q | 53.3 | Low | 55.4 | Low | 144 Ų | 144 | 123.9 Ų | 123.9 | 67% | 0.673 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.8 | -24.2 | -173.3 | -129.5 | 91.2 | 2.9 | 0 | 0 | 113.4 | E21 E22 | E21-Q25 PolarHBondContact O-OE1 2.86Å; E22-Q25 PolarHBondContact O-N 3.24Å |
| 26 | N | 47.6 | Very low | 55.1 | Low | 121 Ų | 121 | 128.3 Ų | 128.3 | 65% | 0.647 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 14 | -165.2 | -97.4 | 56.8 | 0 | 0 | 0 | 116.3 | Y28 | N26-Y28 WeakPolarHBondContact O-CA 3.42Å; N26-Y28 PolarHBondContact O-N 2.94Å |
| 27 | S | 50.2 | Low | 53.9 | Low | 110 Ų | 110 | 129.3 Ų | 129.3 | 77% | 0.769 | 65% | 0.649 | S | S | * | * | trans | 38.2 | 27.5 | 174 | -59.6 | 0 | 0 | 0 | 0 | 115.6 | I29 | S27-I29 VanDerWaalsContact C-N 3.25Å; S27-I29 PolarHBondContact O-N 3.46Å | ||
| 28 | Y | 50.9 | Low | 53.3 | Low | 212 Ų | 212 | 125.1 Ų | 125.1 | 83% | 0.831 | 64% | 0.641 | S | S | * | * | trans | -85.8 | -10.1 | -170 | -169 | -97.7 | 0 | 0 | 0 | 111.2 | N26 P30 | N26-Y28 WeakPolarHBondContact O-CA 3.42Å; N26-Y28 PolarHBondContact O-N 2.94Å; Y28-P30 WeakPolarHBondContact O-CD 3.42Å | ||
| 29 | I | 57.2 | Low | 51.8 | Low | 135 Ų | 135 | 130.1 Ų | 130.1 | 69% | 0.692 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -92.6 | 108.6 | 160.6 | -56.1 | -178.6 | 0 | 0 | 0 | 104.4 | S27 E31 | S27-I29 VanDerWaalsContact C-N 3.25Å; S27-I29 PolarHBondContact O-N 3.46Å; I29-E31 PolarHBondContact O-N 3.29Å; I29-E31 VanDerWaalsContact O-N 3.09Å |
| 30 | P | 50 | Low | 51 | Low | 91 Ų | 91 | 131.6 Ų | 131.6 | 59% | 0.591 | 66% | 0.657 | S | S | * | * | trans | -47.5 | 124.2 | 165 | -24.2 | 33.8 | 0 | 0 | 0 | 107 | Y28 H32 | Y28-P30 WeakPolarHBondContact O-CD 3.42Å; P30-H32 PolarHBondContact O-N 3.02Å | ||
| 31 | E | 50.8 | Low | 50.8 | Low | 162 Ų | 162 | 138 Ų | 138 | 76% | 0.757 | 67% | 0.667 | S | S | * | * | trans | -53.5 | 98.4 | 173.9 | -140.2 | -91.8 | 172.3 | 0 | 0 | 105.7 | I29 S33 | I29-E31 PolarHBondContact O-N 3.29Å; I29-E31 VanDerWaalsContact O-N 3.09Å; E31-S33 PolarHBondContact O-N 3.07Å | ||
| 32 | H | 48.7 | Very low | 49.7 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 52% | 0.523 | 66% | 0.658 | S | S | . | * | trans | -70.9 | 96.5 | 174 | -76.6 | -65.4 | 0 | 0 | 0 | 103.4 | P30 | P30-H32 PolarHBondContact O-N 3.02Š| ||
| 33 | S | 48.3 | Very low | 49.7 | Very low | 53 Ų | 53 | 136.3 Ų | 136.3 | 37% | 0.371 | 67% | 0.673 | S | S | . | * | trans | -48.3 | 143 | -179.7 | 87.7 | 0 | 0 | 0 | 0 | 108.8 | E31 E35 Y36 | E31-S33 PolarHBondContact O-N 3.07Å; S33-E35 WeakPolarHBondContact CB-OE2 3.32Å; S33-E35 PolarHBondContact O-N 3.16Å; S33-E35 PolarHBondContact OG-OE2 3.43Å; S33-Y36 PolarHBondContact O-N 3.42Å | ||
| 34 | P | 53.5 | Low | 49.1 | Very low | 86 Ų | 86 | 130 Ų | 130 | 56% | 0.558 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | -19.9 | -173 | -25 | 32.8 | 0 | 0 | 0 | 113.7 | Y36 S38 | P34-Y36 VanDerWaalsContact C-N 3.3Å; P34-Y36 PolarHBondContact O-N 3Å; P34-S38 WeakPolarHBondContact O-CB 3.45Å; P34-S38 PolarHBondContact O-N 3.33Å; P34-S38 VanDerWaalsContact O-N 3.16Å; P34-S38 PolarHBondContact O-OG 3.05Å |
| 35 | E | 51.4 | Low | 48.3 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 56% | 0.561 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.1 | -22.5 | 176 | -60.3 | 74.2 | -153.6 | 0 | 0 | 113.9 | S33 Y37 S38 R39 | S33-E35 WeakPolarHBondContact CB-OE2 3.32Å; S33-E35 PolarHBondContact O-N 3.16Å; S33-E35 PolarHBondContact OG-OE2 3.43Å; E35-Y37 PolarHBondContact O-N 3.06Å; E35-S38 CarbonylContact O-C 3.29Å; E35-S38 PolarHBondContact O-N 3.37Å; E35-R39 PolarHBondContact O-N 3.37Å |
| 36 | Y | 51.7 | Low | 48 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 65% | 0.647 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.1 | -39.6 | -179.7 | -169.9 | -94.5 | 0 | 0 | 0 | 112.4 | S33 P34 | S33-Y36 PolarHBondContact O-N 3.42Å; P34-Y36 VanDerWaalsContact C-N 3.3Å; P34-Y36 PolarHBondContact O-N 3Å |
| 37 | Y | 48.6 | Very low | 47.8 | Very low | 205 Ų | 205 | 138.1 Ų | 138.1 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -90.2 | -16.5 | 172.4 | -74.4 | -81.6 | 0 | 0 | 0 | 113 | E35 | E35-Y37 PolarHBondContact O-N 3.06Å |
| 38 | S | 49.1 | Very low | 47.9 | Very low | 81 Ų | 81 | 139.8 Ų | 139.8 | 57% | 0.566 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -96.4 | 8.7 | -179.5 | -50 | 0 | 0 | 0 | 0 | 113.9 | P34 E35 T40 | P34-S38 WeakPolarHBondContact O-CB 3.45Å; P34-S38 PolarHBondContact O-N 3.33Å; P34-S38 VanDerWaalsContact O-N 3.16Å; P34-S38 PolarHBondContact O-OG 3.05Å; E35-S38 CarbonylContact O-C 3.29Å; E35-S38 PolarHBondContact O-N 3.37Å; S38-T40 PolarHBondContact O-N 2.86Å |
| 39 | R | 38.7 | Very low | 47.7 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 68% | 0.679 | 67% | 0.673 | S | S | * | * | trans | -64.1 | 91.9 | 166.3 | -157.3 | -162.5 | -94.2 | -126.3 | 6.9 | 107.2 | E35 R41 | E35-R39 PolarHBondContact O-N 3.37Å; R39-R41 PolarHBondContact O-N 2.97Å | ||
| 40 | T | 45.8 | Very low | 47.1 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | trans | -39.3 | 135.6 | 160.3 | 39.5 | 0 | 0 | 0 | 0 | 107.3 | S38 D42 | S38-T40 PolarHBondContact O-N 2.86Å; T40-D42 VanDerWaalsContact C-N 3.29Å; T40-D42 PolarHBondContact O-N 3.34Å | ||
| 41 | R | 49.1 | Very low | 47 | Very low | 240 Ų | 240 | 143.1 Ų | 143.1 | 91% | 0.906 | 69% | 0.687 | S | S | * | * | trans | -51.4 | 102.6 | 171.9 | -76.3 | 177.8 | 163.6 | -179.5 | -5.8 | 107.4 | R39 T43 | R39-R41 PolarHBondContact O-N 2.97Å; R41-T43 PolarHBondContact O-N 3.09Å | ||
| 42 | D | 37.6 | Very low | 46.8 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 52% | 0.524 | 69% | 0.689 | S | S | . | * | trans | -61.2 | 108 | 175.8 | -143.6 | -55.4 | 0 | 0 | 0 | 105.9 | T40 G44 | T40-D42 VanDerWaalsContact C-N 3.29Å; T40-D42 PolarHBondContact O-N 3.34Å; D42-G44 PolarHBondContact O-N 2.85Å | ||
| 43 | T | 52.3 | Low | 46.6 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 94% | 0.939 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 10.3 | 176.3 | -32.6 | 0 | 0 | 0 | 0 | 111.6 | R41 | R41-T43 PolarHBondContact O-N 3.09Š|
| 44 | G | 41.9 | Very low | 47 | Very low | 52 Ų | 52 | 149.6 Ų | 149.6 | 54% | 0.536 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.1 | -2.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | D42 Q46 | D42-G44 PolarHBondContact O-N 2.85Å; G44-Q46 PolarHBondContact O-N 2.97Å |
| 45 | Y | 38.1 | Very low | 46.7 | Very low | 196 Ų | 196 | 151.2 Ų | 151.2 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -76.4 | 93.5 | 175.5 | -112.5 | -92.3 | 0 | 0 | 0 | 110.4 | H47 | Y45-H47 PolarHBondContact O-N 3.12Å; Y45-H47 VanDerWaalsContact O-N 3.08Å | ||
| 46 | Q | 47 | Very low | 46.4 | Very low | 156 Ų | 156 | 155.4 Ų | 155.4 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | trans | -49.7 | 115.2 | 167 | -78.2 | -153.2 | -65 | 0 | 0 | 109.7 | G44 H48 | G44-Q46 PolarHBondContact O-N 2.97Å; Q46-H48 PolarHBondContact O-N 2.86Å | ||
| 47 | H | 43.1 | Very low | 46.3 | Very low | 177 Ų | 177 | 152.8 Ų | 152.8 | 82% | 0.819 | 74% | 0.741 | S | S | * | * | trans | -65 | 78.1 | 165.2 | -89.6 | -95.8 | 0 | 0 | 0 | 109.5 | Y45 H49 | Y45-H47 PolarHBondContact O-N 3.12Å; Y45-H47 VanDerWaalsContact O-N 3.08Å; H47-H49 PolarHBondContact O-N 2.76Å; H47-H49 VanDerWaalsContact O-N 3.08Å | ||
| 48 | H | 51.9 | Low | 46.2 | Very low | 146 Ų | 146 | 149 Ų | 149 | 68% | 0.676 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 46.1 | 179.6 | -142.4 | 78 | 0 | 0 | 0 | 112.2 | Q46 | Q46-H48 PolarHBondContact O-N 2.86Š|
| 49 | H | 46.4 | Very low | 45.5 | Very low | 169 Ų | 169 | 154.8 Ų | 154.8 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.6 | 25.2 | 178.2 | -78.8 | -71.5 | 0 | 0 | 0 | 113.8 | H47 | H47-H49 PolarHBondContact O-N 2.76Å; H47-H49 VanDerWaalsContact O-N 3.08Å |
| 50 | Q | 44.9 | Very low | 45.8 | Very low | 156 Ų | 156 | 155.1 Ų | 155.1 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | trans | -97.7 | -5.4 | 176.9 | -148.5 | 150.9 | 25.3 | 0 | 0 | 114.3 | L52 | Q50-L52 PolarHBondContact O-N 3.31Š| ||
| 51 | E | 47.1 | Very low | 45.3 | Very low | 183 Ų | 183 | 158.8 Ų | 158.8 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 5.4 | -175.4 | -65.4 | -63.2 | 126.7 | 0 | 0 | 115.3 | ||
| 52 | L | 47.7 | Very low | 45 | Very low | 149 Ų | 149 | 156.4 Ų | 156.4 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 6.1 | 179.3 | -77.1 | 168.9 | 0 | 0 | 0 | 114.6 | Q50 | Q50-L52 PolarHBondContact O-N 3.31Š|
| 53 | Y | 44.8 | Very low | 45.3 | Very low | 198 Ų | 198 | 157.5 Ų | 157.5 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -125 | 124.2 | 176.1 | -74 | -83.4 | 0 | 0 | 0 | 111.1 | ||
| 54 | P | 55.6 | Low | 44.6 | Very low | 116 Ų | 116 | 159.8 Ų | 159.8 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -59.8 | 139.4 | 174 | -19.1 | 29.8 | 0 | 0 | 0 | 111 | R56 | P54-R56 PolarHBondContact O-N 3.18Š| ||
| 55 | P | 47.3 | Very low | 44.6 | Very low | 120 Ų | 120 | 164.2 Ų | 164.2 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -61.8 | 122.5 | 176.4 | -19.9 | 30.9 | 0 | 0 | 0 | 111 | V57 | P55-V57 PolarHBondContact O-N 2.81Š| ||
| 56 | R | 46.1 | Very low | 44.6 | Very low | 208 Ų | 208 | 161 Ų | 161 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -68.5 | 95.2 | 167.2 | -115.2 | -76.6 | -137.9 | 169.9 | 3.8 | 108 | P54 | P54-R56 PolarHBondContact O-N 3.18Š| ||
| 57 | V | 48.8 | Very low | 44.3 | Very low | 111 Ų | 111 | 159 Ų | 159 | 67% | 0.673 | 78% | 0.779 | S | S | * | * | trans | -62.7 | 141.8 | 164.7 | -79.7 | 0 | 0 | 0 | 0 | 110 | P55 | P55-V57 PolarHBondContact O-N 2.81Š| ||
| 58 | T | 46.1 | Very low | 43.9 | Very low | 125 Ų | 125 | 155.7 Ų | 155.7 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | 65.4 | 90.6 | 167.9 | 56.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 59 | Y | 36 | Very low | 43.4 | Very low | 203 Ų | 203 | 156.4 Ų | 156.4 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | -134.8 | 116.8 | 138.3 | -107.7 | -92.8 | 0 | 0 | 0 | 109 | E61 | Y59-E61 PolarHBondContact O-N 2.77Š| ||
| 60 | Q | 43.3 | Very low | 43 | Very low | 186 Ų | 186 | 154.3 Ų | 154.3 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -72.9 | 115 | 163.2 | -91.3 | -164.7 | -12.1 | 0 | 0 | 107.8 | ||||
| 61 | E | 37.3 | Very low | 42.6 | Very low | 193 Ų | 193 | 154.9 Ų | 154.9 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 124.2 | 161.8 | -77.3 | -147.6 | 138.3 | 0 | 0 | 109.5 | Y59 | Y59-E61 PolarHBondContact O-N 2.77Š|
| 62 | R | 41.7 | Very low | 42.9 | Very low | 190 Ų | 190 | 151 Ų | 151 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 117.5 | 174.8 | -168.5 | 165.7 | 164.7 | 112.6 | -5.8 | 107.1 | Y64 | R62-Y64 PolarHBondContact O-N 2.88Š|
| 63 | P | 43.4 | Very low | 42 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 117.6 | -178.2 | 28.2 | -31.9 | 0 | 0 | 0 | 109.8 | ||
| 64 | Y | 37.8 | Very low | 42 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | -88.4 | 109.9 | 168.5 | -67.7 | -81.3 | 0 | 0 | 0 | 109.1 | R62 | R62-Y64 PolarHBondContact O-N 2.88Š| ||
| 65 | N | 43.2 | Very low | 41.1 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -83.5 | 120.7 | 173.6 | -171.5 | 4.8 | 0 | 0 | 0 | 109 | V67 | N65-V67 PolarHBondContact O-N 3.35Š| ||
| 66 | C | 37.9 | Very low | 40.4 | Very low | 128 Ų | 128 | 152.9 Ų | 152.9 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -96.6 | 82.1 | 176.7 | 176.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 67 | V | 39.7 | Very low | 39.8 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | -138.4 | 106.3 | 164 | 175.9 | 0 | 0 | 0 | 0 | 107.6 | N65 | N65-V67 PolarHBondContact O-N 3.35Š| ||
| 68 | S | 34.4 | Very low | 39.2 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 159.8 | 99.7 | 138.1 | -69.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 69 | I | 42.8 | Very low | 38.5 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -81.7 | 141.5 | 156.7 | -66 | 174.2 | 0 | 0 | 0 | 107 | E71 | I69-E71 HydrophobicContact CG2-CB 4.44Š| ||
| 70 | P | 38.2 | Very low | 38.6 | Very low | 125 Ų | 125 | 146 Ų | 146 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -118.4 | 127.8 | 139.9 | 4.9 | 15.8 | 0 | 0 | 0 | 111.1 | ||||
| 71 | E | 35 | Very low | 38.1 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -99.4 | 177.4 | 165.6 | -159.8 | -146.9 | 125.1 | 0 | 0 | 107.9 | I69 | I69-E71 HydrophobicContact CG2-CB 4.44Š| ||
| 72 | P | 54.9 | Low | 37.9 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | -110.6 | 179 | -76 | 38.9 | -28.4 | 0 | 0 | 0 | 113.4 | |||||
| 73 | E | 27.7 | Very low | 37.9 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -159.7 | 154.2 | 140.8 | -111 | -117.4 | 124.8 | 0 | 0 | 113 | ||||
| 74 | P | 45.5 | Very low | 37.2 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 62% | 0.617 | 79% | 0.79 | S | S | * | * | trans | -101.5 | 152.4 | -160.4 | 38.1 | -28.3 | 0 | 0 | 0 | 113 | ||||
| 75 | Q | 35.8 | Very low | 37.1 | Very low | 199 Ų | 199 | 135 Ų | 135 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | trans | -133.2 | 124.6 | 170.4 | -56.9 | -160.6 | 33.2 | 0 | 0 | 113.4 | ||||
| 76 | T | 33.2 | Very low | 36.7 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -63.6 | 145.4 | -180 | -57.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 77 | G | 32.2 | Very low | 36.5 | Very low | 56 Ų | 56 | 136.9 Ų | 136.9 | 58% | 0.577 | 79% | 0.793 | S | S | * | * | trans | 99.6 | 113.9 | 137.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 78 | H | 38.1 | Very low | 36.2 | Very low | 200 Ų | 200 | 135.2 Ų | 135.2 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | 172.1 | 123.7 | 105.4 | -87.8 | -69.4 | 0 | 0 | 0 | 109.7 | |||||
| 79 | G | 31 | Very low | 35.9 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -89.1 | 172.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 80 | L | 37.7 | Very low | 35.4 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | trans | -158.5 | 142.7 | 152.2 | -105.1 | 146.5 | 0 | 0 | 0 | 110.1 | ||||
| 81 | T | 33 | Very low | 34.9 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -88 | 143.5 | -162.3 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 82 | H | 33.4 | Very low | 34.8 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | -157.5 | 128.4 | 124.1 | 89.2 | -80 | 0 | 0 | 0 | 110.7 | |||||
| 83 | S | 40.3 | Very low | 33.7 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -104.2 | 149.5 | 164.1 | 45.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 84 | G | 30.4 | Very low | 34 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 179 | 75 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 85 | N | 34 | Very low | 34.1 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -87.7 | 168.9 | 160.3 | -106.7 | 11.3 | 0 | 0 | 0 | 109.7 | ||||
| 86 | L | 35.2 | Very low | 33.6 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | 104.2 | 136.6 | 169.1 | -57.8 | 174 | 0 | 0 | 0 | 113.7 | ||||
| 87 | L | 34.6 | Very low | 33.6 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | cis | -175.4 | 150.7 | -10.8 | -163.7 | 91.2 | 0 | 0 | 0 | 107.3 | ||||
| 88 | A | 32.5 | Very low | 34.2 | Very low | 80 Ų | 80 | 130 Ų | 130 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | trans | 75.6 | 135.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 89 | G | 27.6 | Very low | 34.1 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | 147.5 | 81.2 | 144.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 90 | K | 32.7 | Very low | 34.8 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | 55.7 | 130.7 | 107.7 | -76.9 | 90.9 | 163.4 | -172.3 | 0 | 114.7 | |||||
| 91 | A | 28.3 | Very low | 34.6 | Very low | 85 Ų | 85 | 128.7 Ų | 128.7 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | -169.6 | 134.4 | 58.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 92 | H | 33.5 | Very low | 34.6 | Very low | 161 Ų | 161 | 130 Ų | 130 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | 68 | 124 | 98.7 | -57.3 | -72.2 | 0 | 0 | 0 | 115 | |||||
| 93 | T | 31 | Very low | 35 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | -178.8 | 125.2 | 68.6 | 43.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 94 | S | 33.2 | Very low | 34.4 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 73.7 | 156 | 87.2 | -145 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 95 | P | 48.4 | Very low | 34.6 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | cis | -141.9 | -179.6 | -27.9 | 27.2 | -3.2 | 0 | 0 | 0 | 117.4 | ||||
| 96 | C | 26.3 | Very low | 35.1 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 75.9 | 146.4 | 143.6 | -91.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 97 | E | 32.2 | Very low | 34.8 | Very low | 169 Ų | 169 | 126 Ų | 126 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | cis | -169.3 | -164.5 | -3.2 | -148.2 | -147.3 | 124.6 | 0 | 0 | 106.4 | ||||
| 98 | P | 44.5 | Very low | 35.4 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | trans | -119 | -170.8 | -131.8 | 35.5 | -9.4 | 0 | 0 | 0 | 115.5 | ||||
| 99 | L | 37.4 | Very low | 36.2 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -51.1 | 165 | -173.6 | -59.9 | 169.8 | 0 | 0 | 0 | 117.6 | ||||
| 100 | P | 44.7 | Very low | 37 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | -143.7 | 135.1 | 100.8 | 31.3 | -12.9 | 0 | 0 | 0 | 117.3 | |||||
| 101 | L | 32.6 | Very low | 37.6 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | 40 | 121.6 | 131.2 | -60.6 | 172.9 | 0 | 0 | 0 | 124.6 | ||||
| 102 | L | 33.7 | Very low | 38.1 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | 69.9 | 166.2 | 132.2 | -70.6 | 163 | 0 | 0 | 0 | 120.3 | ||||
| 103 | P | 41.7 | Very low | 38.6 | Very low | 101 Ų | 101 | 125 Ų | 125 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | cis | -133.1 | 161.5 | -42.1 | 34.3 | -18.6 | 0 | 0 | 0 | 112.6 | ||||
| 104 | T | 28.9 | Very low | 39.2 | Very low | 142 Ų | 142 | 124 Ų | 124 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | trans | 177 | 110.7 | 130.4 | 48.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 105 | S | 33.3 | Very low | 39.6 | Very low | 118 Ų | 118 | 123 Ų | 123 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -102 | 178.6 | 150 | -47.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 106 | P | 44.1 | Very low | 38.9 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | cis | -131 | 162.5 | -16.7 | 33 | -15 | 0 | 0 | 0 | 112.1 | ||||
| 107 | T | 30.7 | Very low | 39.8 | Very low | 144 Ų | 144 | 124.9 Ų | 124.9 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -143.7 | 89.8 | 150.4 | -59.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 108 | T | 45.8 | Very low | 40.3 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 128.8 | 159.4 | -46.4 | 0 | 0 | 0 | 0 | 108.5 | ||
| 109 | P | 49.6 | Very low | 40 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 134.3 | 165.9 | 28.5 | -30.9 | 0 | 0 | 0 | 108.8 | I111 | P109-I111 PolarHBondContact O-N 2.86Š|
| 110 | P | 43.9 | Very low | 40 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -68 | 130.7 | -176.3 | 26.5 | -32 | 0 | 0 | 0 | 110.7 | A112 | P110-A112 PolarHBondContact O-N 3.47Å; P110-A112 VanDerWaalsContact O-N 3.17Å |
| 111 | I | 45.5 | Very low | 39.9 | Very low | 162 Ų | 162 | 120.4 Ų | 120.4 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 116.1 | 154.4 | -73.6 | 163.5 | 0 | 0 | 0 | 107.1 | P109 | P109-I111 PolarHBondContact O-N 2.86Š|
| 112 | A | 38.9 | Very low | 40.4 | Very low | 82 Ų | 82 | 122.6 Ų | 122.6 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 129.6 | 169 | 0 | 0 | 0 | 0 | 0 | 108.4 | P110 A114 | P110-A112 PolarHBondContact O-N 3.47Å; P110-A112 VanDerWaalsContact O-N 3.17Å; A112-A114 PolarHBondContact O-N 3.31Å; A112-A114 VanDerWaalsContact O-N 3.12Å |
| 113 | P | 44 | Very low | 40.5 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 116.5 | 167.4 | 26.7 | -30.3 | 0 | 0 | 0 | 107.5 | A115 | P113-A115 PolarHBondContact O-N 2.88Š|
| 114 | A | 44.7 | Very low | 40.7 | Very low | 112 Ų | 112 | 124 Ų | 124 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | trans | -67.1 | 75 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | A112 | A112-A114 PolarHBondContact O-N 3.31Å; A112-A114 VanDerWaalsContact O-N 3.12Å | ||
| 115 | A | 41.7 | Very low | 41.5 | Very low | 88 Ų | 88 | 124 Ų | 124 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -113.3 | 78 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | P113 | P113-A115 PolarHBondContact O-N 2.88Š| ||
| 116 | C | 33 | Very low | 41.9 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | trans | -134.6 | 73.4 | 159.1 | -167.1 | 0 | 0 | 0 | 0 | 106.9 | Q118 | C116-Q118 PolarHBondContact O-N 3.04Å; C116-Q118 VanDerWaalsContact SG-CD 3.52Å; C116-Q118 WeakPolarHBondContact SG-CG 3.5Å; C116-Q118 PolarHBondContact SG-NE2 3.33Å | ||
| 117 | I | 45.6 | Very low | 42.2 | Very low | 175 Ų | 175 | 124.3 Ų | 124.3 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -76.3 | 84.3 | 149.7 | -60.5 | -173.7 | 0 | 0 | 0 | 104.2 | ||||
| 118 | Q | 42.4 | Very low | 43 | Very low | 165 Ų | 165 | 121.9 Ų | 121.9 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | -86.5 | 127.6 | 158 | -88.2 | 176 | 27.4 | 0 | 0 | 107.1 | C116 A120 | C116-Q118 PolarHBondContact O-N 3.04Å; C116-Q118 VanDerWaalsContact SG-CD 3.52Å; C116-Q118 WeakPolarHBondContact SG-CG 3.5Å; C116-Q118 PolarHBondContact SG-NE2 3.33Å; Q118-A120 PolarHBondContact O-N 2.93Å | ||
| 119 | A | 38.2 | Very low | 43.6 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -43 | 128.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P121 | A119-P121 WeakPolarHBondContact O-CD 3.47Š| ||
| 120 | A | 38.2 | Very low | 44.1 | Very low | 82 Ų | 82 | 123 Ų | 123 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -58.7 | 127.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q118 E122 | Q118-A120 PolarHBondContact O-N 2.93Å; A120-E122 PolarHBondContact O-N 2.77Å | ||
| 121 | P | 42.5 | Very low | 45.1 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | trans | -75.3 | 115.9 | 157.6 | 29.8 | -24.8 | 0 | 0 | 0 | 106.7 | A119 Q123 | A119-P121 WeakPolarHBondContact O-CD 3.47Å; P121-Q123 PolarHBondContact O-N 3.14Å | ||
| 122 | E | 42.6 | Very low | 46 | Very low | 188 Ų | 188 | 126.6 Ų | 126.6 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -45.6 | 109 | 164.2 | -68.7 | -78.4 | 118 | 0 | 0 | 109.2 | A120 | A120-E122 PolarHBondContact O-N 2.77Š| ||
| 123 | Q | 36.1 | Very low | 48 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -111.3 | 142.2 | 162.3 | -87.8 | -136.2 | -4.2 | 0 | 0 | 109.2 | P121 | P121-Q123 PolarHBondContact O-N 3.14Š| ||
| 124 | P | 44.6 | Very low | 50 | Low | 108 Ų | 108 | 127.1 Ų | 127.1 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -69.5 | 148.1 | -161.1 | 28.6 | -34.3 | 0 | 0 | 0 | 111.7 | S126 | P124-S126 PolarHBondContact O-N 3.28Å; P124-S126 VanDerWaalsContact O-N 3.09Å | ||
| 125 | T | 46.5 | Very low | 52.1 | Low | 142 Ų | 142 | 125.7 Ų | 125.7 | 87% | 0.871 | 75% | 0.752 | S | S | * | * | trans | -44 | 115 | 170 | -156.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 126 | S | 42.2 | Very low | 54.4 | Low | 104 Ų | 104 | 127.7 Ų | 127.7 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -147.1 | 118.5 | 164.3 | -84.5 | 0 | 0 | 0 | 0 | 106.8 | P124 A128 | P124-S126 PolarHBondContact O-N 3.28Å; P124-S126 VanDerWaalsContact O-N 3.09Å; S126-A128 PolarHBondContact O-N 3.02Å | ||
| 127 | S | 49.6 | Very low | 57 | Low | 124 Ų | 124 | 128 Ų | 128 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | trans | -58 | 80.4 | 178.8 | 42 | 0 | 0 | 0 | 0 | 111.2 | L129 | S127-L129 VanDerWaalsContact C-N 3.31Å; S127-L129 PolarHBondContact O-N 3.06Å | ||
| 128 | A | 48.2 | Very low | 59.1 | Low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -74.3 | 88.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | S126 A130 | S126-A128 PolarHBondContact O-N 3.02Å; A128-A130 VanDerWaalsContact C-N 3.32Å; A128-A130 PolarHBondContact O-N 3.4Å | ||
| 129 | L | 57 | Low | 61.2 | Low | 161 Ų | 161 | 125.7 Ų | 125.7 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | trans | -51.6 | 99.9 | 161.6 | -171.7 | 79.2 | 0 | 0 | 0 | 107.3 | S127 K131 | S127-L129 VanDerWaalsContact C-N 3.31Å; S127-L129 PolarHBondContact O-N 3.06Å; L129-K131 PolarHBondContact O-N 3.15Å | ||
| 130 | A | 60.9 | Low | 63.4 | Low | 85 Ų | 85 | 127.4 Ų | 127.4 | 70% | 0.702 | 71% | 0.711 | S | S | * | * | trans | -58 | 103.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | A128 Q132 | A128-A130 VanDerWaalsContact C-N 3.32Å; A128-A130 PolarHBondContact O-N 3.4Å; A130-Q132 PolarHBondContact O-N 3.1Å | ||
| 131 | K | 64.2 | Low | 65.5 | Low | 199 Ų | 199 | 129.5 Ų | 129.5 | 87% | 0.865 | 71% | 0.705 | S | S | * | * | trans | -65 | 104.5 | 174 | -64.4 | 179.5 | -177.1 | 178.4 | 0 | 107 | L129 | L129-K131 PolarHBondContact O-N 3.15Š| ||
| 132 | Q | 65.9 | Low | 67.1 | Low | 163 Ų | 163 | 129.1 Ų | 129.1 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | trans | -53 | 130.8 | 171.9 | -72.5 | -72.2 | -7.1 | 0 | 0 | 108.6 | A130 V134 | A130-Q132 PolarHBondContact O-N 3.1Å; Q132-V134 PolarHBondContact O-N 2.92Å | ||
| 133 | P | 80.3 | Confident | 68.2 | Low | 102 Ų | 102 | 125.9 Ų | 125.9 | 66% | 0.662 | 68% | 0.681 | S | S | * | * | trans | -60.5 | 132.9 | -178 | 23.5 | -32.4 | 0 | 0 | 0 | 110.5 | V135 | P133-V135 PolarHBondContact O-N 3.08Š| ||
| 134 | V | 86.5 | Confident | 69.3 | Low | 106 Ų | 106 | 119.5 Ų | 119.5 | 64% | 0.642 | 65% | 0.654 | S | S | * | * | trans | -69 | 113.9 | 178.1 | 179 | 0 | 0 | 0 | 0 | 109.2 | Q132 Y136 | Q132-V134 PolarHBondContact O-N 2.92Å; V134-Y136 HydrophobicContact CG1-CE1 4.24Å | ||
| 135 | V | 88.4 | Confident | 69.7 | Low | 81 Ų | 81 | 118 Ų | 118 | 49% | 0.491 | 65% | 0.645 | S | S | . | * | trans | -91.5 | 106.5 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 110 | P133 M139 K140 | P133-V135 PolarHBondContact O-N 3.08Å; V135-M139 HydrophobicContact CG1-CB 3.98Å; V135-K140 HydrophobicContact CG1-CG 4.06Å | ||
| 136 | Y | 89.6 | Confident | 70.4 | Confident | 130 Ų | 130 | 117.5 Ų | 117.5 | 51% | 0.51 | 64% | 0.636 | S | S | . | * | trans | -69.6 | 153.1 | 178.2 | -63.8 | -79.5 | 0 | 0 | 0 | 112.4 | V134 W138 M139 | V134-Y136 HydrophobicContact CG1-CE1 4.24Å; Y136-W138 VanDerWaalsContact C-N 3.25Å; Y136-W138 VanDerWaalsContact CB-NE1 3.3Å; Y136-W138 AromaticContact CG-NE1 3.84Å; Y136-W138 PolarHBondContact O-N 2.8Å; Y136-W138 VanDerWaalsContact O-N 3.13Å; Y136-M139 HydrophobicContact CD2-SD 3.74Å; Y136-M139 HydrophobicContact CG-SD 4.42Å; Y136-M139 WeakPolarHBondContact O-CB 3.43Å; Y136-M139 PolarHBondContact O-N 3.34Å | ||
| 137 | P | 88.3 | Confident | 71.1 | Confident | 99 Ų | 99 | 116.7 Ų | 116.7 | 64% | 0.643 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -54.3 | -34.8 | -178 | -29 | 36.1 | 0 | 0 | 0 | 115.2 | M139 K140 | P137-M139 VanDerWaalsContact C-N 3.29Å; P137-M139 PolarHBondContact O-N 3.12Å; P137-K140 WeakPolarHBondContact O-CB 3.46Å; P137-K140 PolarHBondContact O-N 3.45Å |
| 138 | W | 88.8 | Confident | 71.2 | Confident | 196 Ų | 196 | 115 Ų | 115 | 74% | 0.742 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -71.1 | -22.9 | 177.9 | 66 | -95.7 | 0 | 0 | 0 | 113.4 | Y136 K140 | Y136-W138 VanDerWaalsContact C-N 3.25Å; Y136-W138 VanDerWaalsContact CB-NE1 3.3Å; Y136-W138 AromaticContact CG-NE1 3.84Å; Y136-W138 PolarHBondContact O-N 2.8Å; Y136-W138 VanDerWaalsContact O-N 3.13Å; W138-K140 VanDerWaalsContact C-N 3.26Å |
| 139 | M | 87.5 | Confident | 71.8 | Confident | 95 Ų | 95 | 116.1 Ų | 116.1 | 47% | 0.468 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -78.2 | -14.1 | 176.3 | -58.9 | 174.7 | 74.1 | 0 | 0 | 111.8 | V135 Y136 P137 | V135-M139 HydrophobicContact CG1-CB 3.98Å; Y136-M139 HydrophobicContact CD2-SD 3.74Å; Y136-M139 HydrophobicContact CG-SD 4.42Å; Y136-M139 WeakPolarHBondContact O-CB 3.43Å; Y136-M139 PolarHBondContact O-N 3.34Å; P137-M139 VanDerWaalsContact C-N 3.29Å; P137-M139 PolarHBondContact O-N 3.12Å |
| 140 | K | 84 | Confident | 71.9 | Confident | 127 Ų | 127 | 115.4 Ų | 115.4 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -78.5 | 136.1 | 177.8 | -59.8 | -178.4 | 178.8 | 179.3 | 0 | 109.8 | V135 P137 W138 I142 | V135-K140 HydrophobicContact CG1-CG 4.06Å; P137-K140 WeakPolarHBondContact O-CB 3.46Å; P137-K140 PolarHBondContact O-N 3.45Å; W138-K140 VanDerWaalsContact C-N 3.26Å; K140-I142 PolarHBondContact O-N 3.22Å |
| 141 | K | 80.8 | Confident | 71.5 | Confident | 126 Ų | 126 | 119.8 Ų | 119.8 | 55% | 0.548 | 60% | 0.604 | S | S | . | * | trans | -74.5 | 83.4 | 179 | -70.6 | -178.5 | 55.5 | 179.2 | 0 | 111.9 | H143 V144 | K141-H143 VanDerWaalsContact C-N 3.25Å; K141-H143 PolarHBondContact O-N 3.43Å; K141-V144 HydrophobicContact CB-CG2 4.43Å; K141-V144 PolarHBondContact O-N 3.19Å | ||
| 142 | I | 76.8 | Confident | 71.3 | Confident | 108 Ų | 108 | 118.2 Ų | 118.2 | 55% | 0.554 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -54.8 | -37.8 | -177.2 | -61.5 | 162.5 | 0 | 0 | 0 | 112.8 | K140 V144 I146 | K140-I142 PolarHBondContact O-N 3.22Å; I142-V144 PolarHBondContact O-N 2.99Å; I142-I146 HydrophobicContact CG2-CD1 3.58Å |
| 143 | H | 66.6 | Low | 70.7 | Confident | 120 Ų | 120 | 113.3 Ų | 113.3 | 56% | 0.556 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.4 | -13.2 | -171.8 | -156.3 | -107.5 | 0 | 0 | 0 | 114.6 | K141 R158 | K141-H143 VanDerWaalsContact C-N 3.25Å; K141-H143 PolarHBondContact O-N 3.43Å; H143-R158 VanDerWaalsContact CE1-CD 3.5Å; H143-R158 WeakPolarHBondContact CE1-CD 3.39Å; H143-R158 PolarHBondContact CE1-NE 2.95Å; H143-R158 PolarHBondContact CE1-NH1 3.1Å; H143-R158 VanDerWaalsContact CE1-NH1 3.34Å; H143-R158 PolarHBondContact CE1-NH2 3.27Å; H143-R158 PolarHBondContact ND1-NE 3.23Å |
| 144 | V | 57.9 | Low | 69.4 | Low | 41 Ų | 41 | 112.7 Ų | 112.7 | 25% | 0.248 | 60% | 0.601 | C | S | . | * | H | α-helix | trans | -97.1 | -38 | -177.9 | -179.3 | 0 | 0 | 0 | 0 | 111 | K141 I142 | K141-V144 HydrophobicContact CB-CG2 4.43Å; K141-V144 PolarHBondContact O-N 3.19Å; I142-V144 PolarHBondContact O-N 2.99Å |
| 145 | S | 54.2 | Low | 68 | Low | 76 Ų | 76 | 113.5 Ų | 113.5 | 53% | 0.531 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -75.1 | -27.8 | -175.3 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 146 | I | 60 | Low | 66.6 | Low | 131 Ų | 131 | 112.6 Ų | 112.6 | 67% | 0.672 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -26.8 | -173.4 | -63.4 | 171.1 | 0 | 0 | 0 | 112.8 | I142 | I142-I146 HydrophobicContact CG2-CD1 3.58Š|
| 147 | V | 58 | Low | 65.7 | Low | 88 Ų | 88 | 114.2 Ų | 114.2 | 53% | 0.533 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101 | -11 | -174.8 | -80.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 148 | N | 51.1 | Low | 65.1 | Low | 87 Ų | 87 | 116.4 Ų | 116.4 | 47% | 0.465 | 61% | 0.609 | S | S | . | * | trans | -165.8 | 105.3 | 171.4 | -108.5 | -10.8 | 0 | 0 | 0 | 110.4 | N150 Y151 | N148-N150 PolarHBondContact O-N 2.89Å; N148-Y151 HydrophobicContact CB-CD2 3.92Å; N148-Y151 WeakPolarHBondContact ND2-CD2 3.28Å; N148-Y151 WeakPolarHBondContact ND2-CE2 3.49Å | ||
| 149 | P | 61.2 | Low | 64.8 | Low | 118 Ų | 118 | 112.5 Ų | 112.5 | 77% | 0.766 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -17.6 | 177.6 | -21.2 | 32.3 | 0 | 0 | 0 | 114.3 | ||
| 150 | N | 59.2 | Low | 64.9 | Low | 145 Ų | 145 | 119.3 Ų | 119.3 | 78% | 0.775 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 0.4 | -170.1 | -67.6 | 36.8 | 0 | 0 | 0 | 114.7 | N148 N152 | N148-N150 PolarHBondContact O-N 2.89Å; N150-N152 PolarHBondContact O-N 2.96Å |
| 151 | Y | 53.3 | Low | 65.4 | Low | 178 Ų | 178 | 119 Ų | 119 | 70% | 0.698 | 64% | 0.64 | S | S | * | * | trans | -92.9 | 86.3 | 176.5 | -88 | -94.2 | 0 | 0 | 0 | 110.7 | N148 | N148-Y151 HydrophobicContact CB-CD2 3.92Å; N148-Y151 WeakPolarHBondContact ND2-CD2 3.28Å; N148-Y151 WeakPolarHBondContact ND2-CE2 3.49Å | ||
| 152 | N | 58.3 | Low | 66.1 | Low | 166 Ų | 166 | 117.1 Ų | 117.1 | 89% | 0.888 | 65% | 0.648 | S | S | * | * | trans | -89.6 | 116.1 | 165.9 | -173.9 | 61.8 | 0 | 0 | 0 | 109.4 | N150 | N150-N152 PolarHBondContact O-N 2.96Š| ||
| 153 | G | 54.3 | Low | 67.2 | Low | 59 Ų | 59 | 115.3 Ų | 115.3 | 61% | 0.608 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 104.9 | 133.6 | 168 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 154 | A | 52.4 | Low | 68.7 | Low | 89 Ų | 89 | 113.2 Ų | 113.2 | 74% | 0.736 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 69.1 | 94.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | A156 | A154-A156 PolarHBondContact O-N 3.49Š|
| 155 | D | 57 | Low | 70.6 | Confident | 123 Ų | 123 | 121.1 Ų | 121.1 | 66% | 0.658 | 66% | 0.656 | S | S | * | * | trans | 46.8 | 43.5 | 137.8 | -61.8 | -60.8 | 0 | 0 | 0 | 120.3 | K157 | D155-K157 PolarHBondContact O-N 3.18Š| ||
| 156 | A | 59.6 | Low | 72.7 | Confident | 63 Ų | 63 | 124.2 Ų | 124.2 | 52% | 0.521 | 66% | 0.662 | S | S | . | * | trans | -70.9 | 58.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A154 R158 | A154-A156 PolarHBondContact O-N 3.49Å; A156-R158 PolarHBondContact O-N 3.21Å; A156-R158 VanDerWaalsContact O-N 3.12Å | ||
| 157 | K | 69.8 | Low | 74.5 | Confident | 164 Ų | 164 | 119.4 Ų | 119.4 | 71% | 0.713 | 64% | 0.637 | S | S | * | * | trans | -65.1 | 107.3 | 161 | -64.5 | 179.6 | -174.1 | -178.9 | 0 | 104.8 | D155 S159 | D155-K157 PolarHBondContact O-N 3.18Å; K157-S159 PolarHBondContact O-N 3.26Å | ||
| 158 | R | 75.4 | Confident | 76.5 | Confident | 145 Ų | 145 | 117.5 Ų | 117.5 | 55% | 0.547 | 63% | 0.625 | S | S | . | * | trans | -54.1 | 111.2 | 172.4 | -77.6 | -161.2 | -152 | 169.2 | 6.4 | 107.5 | H143 A156 R160 | H143-R158 VanDerWaalsContact CE1-CD 3.5Å; H143-R158 WeakPolarHBondContact CE1-CD 3.39Å; H143-R158 PolarHBondContact CE1-NE 2.95Å; H143-R158 PolarHBondContact CE1-NH1 3.1Å; H143-R158 VanDerWaalsContact CE1-NH1 3.34Å; H143-R158 PolarHBondContact CE1-NH2 3.27Å; H143-R158 PolarHBondContact ND1-NE 3.23Å; A156-R158 PolarHBondContact O-N 3.21Å; A156-R158 VanDerWaalsContact O-N 3.12Å; R158-R160 PolarHBondContact O-N 2.71Å | ||
| 159 | S | 84 | Confident | 78.7 | Confident | 113 Ų | 113 | 117.2 Ų | 117.2 | 79% | 0.79 | 62% | 0.623 | S | S | * | * | trans | -61.2 | 129.5 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | K157 | K157-S159 PolarHBondContact O-N 3.26Š| ||
| 160 | R | 90.1 | Very high | 80.5 | Confident | 239 Ų | 239 | 114.6 Ų | 114.6 | 90% | 0.902 | 60% | 0.601 | S | S | * | * | trans | -86 | 115.1 | 177.7 | -71.2 | 179.7 | 176.7 | -95.8 | 2.1 | 108 | R158 | R158-R160 PolarHBondContact O-N 2.71Š| ||
| 161 | T | 93.8 | Very high | 82.4 | Confident | 119 Ų | 119 | 107.7 Ų | 107.7 | 73% | 0.73 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 126.5 | 168.9 | -44.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 162 | A | 95.9 | Very high | 84.5 | Confident | 87 Ų | 87 | 102.5 Ų | 102.5 | 72% | 0.719 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 146.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 163 | Y | 98.3 | Very high | 86.5 | Confident | 71 Ų | 71 | 100.3 Ų | 100.3 | 28% | 0.278 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 145.8 | 171.2 | -60.3 | -49.6 | 0 | 0 | 0 | 110.4 | L195 W203 | Y163-L195 HydrophobicContact CD1-CD1 4.01Å; Y163-L195 HydrophobicContact CD1-CD2 3.9Å; Y163-L195 HydrophobicContact CE1-CD1 3.9Å; Y163-L195 HydrophobicContact CE1-CD2 3.69Å; Y163-L195 HydrophobicContact CE1-CG 4.47Å; Y163-W203 AromaticContact CD2-CD1 3.85Å; Y163-W203 AromaticContact CE2-CD1 3.61Å |
| 164 | T | 98.6 | Very high | 88.6 | Confident | 76 Ų | 76 | 98.2 Ų | 98.2 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 159.1 | 174.4 | 75.1 | 0 | 0 | 0 | 0 | 110.4 | Q166 Q167 V168 | T164-Q166 VanDerWaalsContact C-N 3.26Å; T164-Q166 PolarHBondContact O-N 3.26Å; T164-Q167 PolarHBondContact O-N 3.03Å; T164-Q167 VanDerWaalsContact O-N 3.16Å; T164-Q167 VanDerWaalsContact OG1-CG 3.31Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.35Å; T164-Q167 PolarHBondContact OG1-N 3.47Å; T164-V168 WeakPolarHBondContact O-CG2 3.39Å; T164-V168 PolarHBondContact O-N 2.67Å |
| 165 | R | 98.4 | Very high | 90.8 | Very high | 207 Ų | 207 | 94 Ų | 94 | 78% | 0.781 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -56.1 | -42.7 | 177.2 | -175 | 172.4 | -178 | -94.6 | 0.2 | 111.9 | V168 L169 | R165-V168 PolarHBondContact O-N 3.4Å; R165-L169 HydrophobicContact CG-CD1 4.17Å; R165-L169 VanDerWaalsContact O-CG 3.32Å; R165-L169 WeakPolarHBondContact O-CG 3.48Å; R165-L169 PolarHBondContact O-N 2.97Å |
| 166 | Q | 98.4 | Very high | 92.7 | Very high | 141 Ų | 141 | 93.8 Ų | 93.8 | 66% | 0.659 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.1 | -45.5 | 177.4 | -178.9 | -177.9 | -15.2 | 0 | 0 | 112 | T164 V168 L169 E170 | T164-Q166 VanDerWaalsContact C-N 3.26Å; T164-Q166 PolarHBondContact O-N 3.26Å; Q166-V168 VanDerWaalsContact C-N 3.33Å; Q166-V168 PolarHBondContact O-N 3.16Å; Q166-L169 PolarHBondContact O-N 2.86Å; Q166-E170 PolarHBondContact O-N 3.45Å; Q166-E170 VanDerWaalsContact O-N 3.07Å |
| 167 | Q | 98.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 99.8 Ų | 99.8 | 14% | 0.136 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 177.4 | -72.5 | 172 | -26.9 | 0 | 0 | 111.5 | T164 L171 L193 | T164-Q167 PolarHBondContact O-N 3.03Å; T164-Q167 VanDerWaalsContact O-N 3.16Å; T164-Q167 VanDerWaalsContact OG1-CG 3.31Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.35Å; T164-Q167 PolarHBondContact OG1-N 3.47Å; Q167-L171 WeakPolarHBondContact O-CB 3.5Å; Q167-L171 WeakPolarHBondContact O-CD1 3.36Å; Q167-L171 WeakPolarHBondContact O-CG 3.5Å; Q167-L171 PolarHBondContact O-N 3.22Å; Q167-L193 HydrophobicContact CG-CB 4.33Å; Q167-L193 PolarHBondContact NE2-O 3.33Å |
| 168 | V | 98.5 | Very high | 95.9 | Very high | 48 Ų | 48 | 95.5 Ų | 95.5 | 29% | 0.291 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 178.4 | 177 | 0 | 0 | 0 | 0 | 111.2 | T164 R165 Q166 L171 E172 | T164-V168 WeakPolarHBondContact O-CG2 3.39Å; T164-V168 PolarHBondContact O-N 2.67Å; R165-V168 PolarHBondContact O-N 3.4Å; Q166-V168 VanDerWaalsContact C-N 3.33Å; Q166-V168 PolarHBondContact O-N 3.16Å; V168-L171 PolarHBondContact O-N 3.49Å; V168-E172 HydrophobicContact CG1-CG 4.37Å; V168-E172 WeakPolarHBondContact O-CB 3.49Å; V168-E172 WeakPolarHBondContact O-CG 3.19Å; V168-E172 PolarHBondContact O-N 2.76Å |
| 169 | L | 98.5 | Very high | 96.9 | Very high | 82 Ų | 82 | 92.2 Ų | 92.2 | 43% | 0.429 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | -179.3 | -71.4 | 172.9 | 0 | 0 | 0 | 112.4 | R165 Q166 E172 K173 | R165-L169 HydrophobicContact CG-CD1 4.17Å; R165-L169 VanDerWaalsContact O-CG 3.32Å; R165-L169 WeakPolarHBondContact O-CG 3.48Å; R165-L169 PolarHBondContact O-N 2.97Å; Q166-L169 PolarHBondContact O-N 2.86Å; L169-E172 PolarHBondContact O-N 3.06Å; L169-K173 WeakPolarHBondContact O-CB 3.42Å; L169-K173 PolarHBondContact O-N 3.47Å |
| 170 | E | 98.6 | Very high | 97.6 | Very high | 63 Ų | 63 | 93.7 Ų | 93.7 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 177.1 | -73 | -62.9 | 150 | 0 | 0 | 111.7 | Q166 E172 K173 E174 L193 | Q166-E170 PolarHBondContact O-N 3.45Å; Q166-E170 VanDerWaalsContact O-N 3.07Å; E170-E172 VanDerWaalsContact C-N 3.34Å; E170-E172 PolarHBondContact O-N 2.81Å; E170-K173 PolarHBondContact O-N 3.34Å; E170-K173 IonicContact OE1-NZ 3.06Å; E170-K173 PolarHBondContact OE1-NZ 2.79Å; E170-K173 IonicContact OE2-NZ 3.46Å; E170-K173 PolarHBondContact OE2-NZ 3.37Å; E170-E174 WeakPolarHBondContact O-CB 3.37Å; E170-E174 WeakPolarHBondContact O-CG 3.15Å; E170-E174 PolarHBondContact O-N 3.43Å; E170-L193 HydrophobicContact CB-CD1 4.09Å; E170-L193 HydrophobicContact CB-CD2 3.68Å; E170-L193 HydrophobicContact CB-CG 4.46Å; E170-L193 HydrophobicContact CG-CD2 3.95Å |
| 171 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 174.4 | -71.6 | 167.3 | 0 | 0 | 0 | 112.2 | Q167 V168 F175 I189 L193 L195 I200 W203 F204 | Q167-L171 WeakPolarHBondContact O-CB 3.5Å; Q167-L171 WeakPolarHBondContact O-CD1 3.36Å; Q167-L171 WeakPolarHBondContact O-CG 3.5Å; Q167-L171 PolarHBondContact O-N 3.22Å; V168-L171 PolarHBondContact O-N 3.49Å; L171-F175 WeakPolarHBondContact O-CB 3.5Å; L171-F175 PolarHBondContact O-N 3.22Å; L171-I189 HydrophobicContact CD2-CG2 4.2Å; L171-L193 HydrophobicContact CD1-CD1 4.42Å; L171-L193 HydrophobicContact CD2-CD1 3.87Å; L171-L193 HydrophobicContact CG-CD1 3.7Å; L171-L195 HydrophobicContact CD1-CD1 4.33Å; L171-I200 HydrophobicContact CD2-CD1 3.76Å; L171-W203 VanDerWaalsContact C-CH2 3.48Å; L171-W203 HydrophobicContact CB-CD2 3.93Å; L171-W203 HydrophobicContact CB-CE3 3.93Å; L171-W203 HydrophobicContact CB-CH2 3.61Å; L171-W203 HydrophobicContact CB-CZ2 3.58Å; L171-W203 HydrophobicContact CB-CZ3 3.78Å; L171-W203 HydrophobicContact CD1-CD2 3.87Å; L171-W203 HydrophobicContact CD1-CG 3.84Å; L171-W203 HydrophobicContact CD1-CZ2 4.49Å; L171-W203 HydrophobicContact CD2-CD2 4.36Å; L171-W203 HydrophobicContact CD2-CE3 4.28Å; L171-W203 HydrophobicContact CG-CD2 4.28Å; L171-W203 HydrophobicContact CG-CE3 4.48Å; L171-W203 WeakPolarHBondContact O-CH2 3.33Å; L171-W203 WeakPolarHBondContact O-CZ3 3.39Å; L171-F204 HydrophobicContact CD2-CE2 4.1Å |
| 172 | E | 98.6 | Very high | 98.2 | Very high | 69 Ų | 69 | 82.1 Ų | 82.1 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 175.1 | -75.4 | -169.9 | 169.5 | 0 | 0 | 111.7 | V168 L169 E170 E174 F175 H176 W203 | V168-E172 HydrophobicContact CG1-CG 4.37Å; V168-E172 WeakPolarHBondContact O-CB 3.49Å; V168-E172 WeakPolarHBondContact O-CG 3.19Å; V168-E172 PolarHBondContact O-N 2.76Å; L169-E172 PolarHBondContact O-N 3.06Å; E170-E172 VanDerWaalsContact C-N 3.34Å; E170-E172 PolarHBondContact O-N 2.81Å; E172-E174 VanDerWaalsContact C-N 3.34Å; E172-E174 PolarHBondContact O-N 2.98Å; E172-F175 WeakPolarHBondContact O-CB 3.28Å; E172-F175 PolarHBondContact O-N 3.49Å; E172-F175 VanDerWaalsContact O-N 3.16Å; E172-H176 PolarHBondContact O-N 2.99Å; E172-H176 PolarHBondContact O-ND1 3.33Å; E172-W203 HydrophobicContact CG-CH2 3.95Å; E172-W203 HydrophobicContact CG-CZ2 4.01Å |
| 173 | K | 98.6 | Very high | 98.4 | Very high | 120 Ų | 120 | 84.3 Ų | 84.3 | 52% | 0.522 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -55.3 | -49.5 | 174.8 | 172.9 | 179.8 | 154.2 | -151.9 | 0 | 111.3 | L169 E170 F175 H176 Y177 | L169-K173 WeakPolarHBondContact O-CB 3.42Å; L169-K173 PolarHBondContact O-N 3.47Å; E170-K173 PolarHBondContact O-N 3.34Å; E170-K173 IonicContact OE1-NZ 3.06Å; E170-K173 PolarHBondContact OE1-NZ 2.79Å; E170-K173 IonicContact OE2-NZ 3.46Å; E170-K173 PolarHBondContact OE2-NZ 3.37Å; K173-F175 VanDerWaalsContact C-N 3.32Å; K173-F175 PolarHBondContact O-N 3.23Å; K173-H176 PolarHBondContact O-N 3.1Å; K173-Y177 PolarHBondContact O-N 3.23Å; K173-Y177 VanDerWaalsContact O-N 3.1Å |
| 174 | E | 98.4 | Very high | 98.4 | Very high | 15 Ų | 15 | 89.7 Ų | 89.7 | 7% | 0.07 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 176.6 | -72.6 | -62.9 | 130.6 | 0 | 0 | 112.7 | E170 E172 H176 Y177 N178 R185 I189 F204 | E170-E174 WeakPolarHBondContact O-CB 3.37Å; E170-E174 WeakPolarHBondContact O-CG 3.15Å; E170-E174 PolarHBondContact O-N 3.43Å; E172-E174 VanDerWaalsContact C-N 3.34Å; E172-E174 PolarHBondContact O-N 2.98Å; E174-H176 VanDerWaalsContact C-N 3.33Å; E174-H176 PolarHBondContact O-N 3.33Å; E174-Y177 WeakPolarHBondContact O-CB 3.38Å; E174-Y177 PolarHBondContact O-N 3.41Å; E174-N178 PolarHBondContact O-N 2.84Å; E174-R185 IonicContact OE1-CZ 2.81Å; E174-R185 IonicContact OE1-NE 3.82Å; E174-R185 IonicContact OE1-NH2 3.89Å; E174-R185 PolarHBondContact OE1-NH2 2.9Å; E174-R185 IonicContact OE2-CZ 3.69Å; E174-R185 IonicContact OE2-NE 2.76Å; E174-R185 PolarHBondContact OE2-NE 3.23Å; E174-R185 IonicContact OE2-NH2 3.94Å; E174-R185 PolarHBondContact OE2-NH2 2.93Å; E174-I189 HydrophobicContact CB-CD1 4.04Å; E174-I189 HydrophobicContact CG-CD1 3.65Å; E174-I189 HydrophobicContact CG-CG1 4.07Å; E174-F204 HydrophobicContact CB-CZ 4.04Å |
| 175 | F | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 177.7 | -177.6 | -98.5 | 0 | 0 | 0 | 113.2 | L171 E172 K173 N178 R179 W203 F204 R207 R208 W211 | L171-F175 WeakPolarHBondContact O-CB 3.5Å; L171-F175 PolarHBondContact O-N 3.22Å; E172-F175 WeakPolarHBondContact O-CB 3.28Å; E172-F175 PolarHBondContact O-N 3.49Å; E172-F175 VanDerWaalsContact O-N 3.16Å; K173-F175 VanDerWaalsContact C-N 3.32Å; K173-F175 PolarHBondContact O-N 3.23Å; F175-N178 CarbonylContact O-C 3.46Å; F175-N178 VanDerWaalsContact O-C 3.29Å; F175-R179 HydrophobicContact CE1-CG 4.28Å; F175-R179 HydrophobicContact CE2-CB 4.12Å; F175-R179 HydrophobicContact CE2-CG 4.13Å; F175-R179 HydrophobicContact CZ-CB 4.34Å; F175-R179 HydrophobicContact CZ-CG 3.9Å; F175-R179 PolarHBondContact O-N 3.48Å; F175-W203 HydrophobicContact CB-CH2 4.37Å; F175-W203 HydrophobicContact CB-CZ3 4.09Å; F175-F204 HydrophobicContact CB-CE1 4.19Å; F175-F204 HydrophobicContact CB-CZ 4.28Å; F175-F204 AromaticContact CD2-CD1 3.97Å; F175-F204 HydrophobicContact CD2-CD1 3.97Å; F175-F204 AromaticContact CD2-CE1 3.9Å; F175-F204 HydrophobicContact CD2-CE1 3.9Å; F175-R207 HydrophobicContact CB-CG 4.39Å; F175-R207 HydrophobicContact CD1-CG 3.75Å; F175-R207 HydrophobicContact CD2-CB 4.18Å; F175-R207 HydrophobicContact CD2-CG 3.56Å; F175-R207 HydrophobicContact CE1-CG 3.84Å; F175-R207 HydrophobicContact CE2-CB 4.18Å; F175-R207 HydrophobicContact CE2-CG 3.67Å; F175-R207 HydrophobicContact CG-CG 3.61Å; F175-R207 HydrophobicContact CZ-CG 3.8Å; F175-R208 HydrophobicContact CE2-CG 3.74Å; F175-R208 HydrophobicContact CZ-CG 4.29Å; F175-W211 HydrophobicContact CE1-CB 4.26Å; F175-W211 HydrophobicContact CE1-CG 4.28Å; F175-W211 HydrophobicContact CZ-CB 3.98Å; F175-W211 HydrophobicContact CZ-CG 4.19Å |
| 176 | H | 98.1 | Very high | 98.4 | Very high | 119 Ų | 119 | 82.5 Ų | 82.5 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -69.7 | -38.5 | 174.1 | -69.3 | 93.4 | 0 | 0 | 0 | 111.4 | E172 K173 E174 | E172-H176 PolarHBondContact O-N 2.99Å; E172-H176 PolarHBondContact O-ND1 3.33Å; K173-H176 PolarHBondContact O-N 3.1Å; E174-H176 VanDerWaalsContact C-N 3.33Å; E174-H176 PolarHBondContact O-N 3.33Å |
| 177 | Y | 98.3 | Very high | 98.4 | Very high | 189 Ų | 189 | 78.4 Ų | 78.4 | 74% | 0.741 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.7 | -49.6 | 174.3 | 178.8 | -106.1 | 0 | 0 | 0 | 111.8 | K173 E174 | K173-Y177 PolarHBondContact O-N 3.23Å; K173-Y177 VanDerWaalsContact O-N 3.1Å; E174-Y177 WeakPolarHBondContact O-CB 3.38Å; E174-Y177 PolarHBondContact O-N 3.41Å |
| 178 | N | 97.4 | Very high | 98.4 | Very high | 73 Ų | 73 | 80 Ų | 80 | 39% | 0.39 | 35% | 0.353 | S | S | . | . | trans | -147.5 | 123.4 | 174.1 | -168.9 | -13.3 | 0 | 0 | 0 | 111.4 | E174 F175 Y180 | E174-N178 PolarHBondContact O-N 2.84Å; F175-N178 CarbonylContact O-C 3.46Å; F175-N178 VanDerWaalsContact O-C 3.29Å; N178-Y180 PolarHBondContact ND2-O 3.01Å; N178-Y180 PolarHBondContact O-N 3.42Å; N178-Y180 VanDerWaalsContact O-N 3.13Å; N178-Y180 PolarHBondContact OD1-N 2.89Å; N178-Y180 PolarHBondContact OD1-O 3.43Å | ||
| 179 | R | 97.8 | Very high | 98.4 | Very high | 77 Ų | 77 | 78 Ų | 78 | 29% | 0.291 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -64.7 | -17.5 | 179.3 | -71.8 | -178.4 | 149.3 | 56.8 | 17.6 | 113.6 | F175 R208 W211 | F175-R179 HydrophobicContact CE1-CG 4.28Å; F175-R179 HydrophobicContact CE2-CB 4.12Å; F175-R179 HydrophobicContact CE2-CG 4.13Å; F175-R179 HydrophobicContact CZ-CB 4.34Å; F175-R179 HydrophobicContact CZ-CG 3.9Å; F175-R179 PolarHBondContact O-N 3.48Å; R179-R208 WeakPolarHBondContact O-CD 3.47Å; R179-W211 VanDerWaalsContact NE-CE2 3.29Å |
| 180 | Y | 98.3 | Very high | 98.4 | Very high | 143 Ų | 143 | 74.3 Ų | 74.3 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -132.5 | 131.3 | -177.6 | -63.4 | -106.2 | 0 | 0 | 0 | 109.8 | N178 | N178-Y180 PolarHBondContact ND2-O 3.01Å; N178-Y180 PolarHBondContact O-N 3.42Å; N178-Y180 VanDerWaalsContact O-N 3.13Å; N178-Y180 PolarHBondContact OD1-N 2.89Å; N178-Y180 PolarHBondContact OD1-O 3.43Å |
| 181 | L | 98.3 | Very high | 98.4 | Very high | 28 Ų | 28 | 78 Ų | 78 | 15% | 0.147 | 34% | 0.339 | C | S | . | . | trans | -93.4 | 139.2 | 178.9 | -62.2 | 179.7 | 0 | 0 | 0 | 112 | R185 I189 I200 F204 | L181-R185 HydrophobicContact CD2-CG 3.94Å; L181-I189 HydrophobicContact CD1-CD1 3.85Å; L181-I189 HydrophobicContact CD2-CD1 3.82Å; L181-I200 HydrophobicContact CD1-CG2 3.52Å; L181-F204 HydrophobicContact CD1-CD1 4.15Å; L181-F204 HydrophobicContact CD1-CD2 3.62Å; L181-F204 HydrophobicContact CD1-CE1 3.97Å; L181-F204 HydrophobicContact CD1-CE2 3.45Å; L181-F204 VanDerWaalsContact CD1-CE2 3.45Å; L181-F204 HydrophobicContact CD1-CG 3.99Å; L181-F204 HydrophobicContact CD1-CZ 3.63Å; L181-F204 HydrophobicContact CD2-CD1 4.48Å; L181-F204 HydrophobicContact CD2-CE1 3.73Å; L181-F204 HydrophobicContact CD2-CE2 4.37Å; L181-F204 HydrophobicContact CD2-CZ 3.68Å; L181-F204 HydrophobicContact CG-CD1 3.79Å; L181-F204 HydrophobicContact CG-CD2 4.2Å; L181-F204 HydrophobicContact CG-CE1 3.52Å; L181-F204 HydrophobicContact CG-CE2 3.99Å; L181-F204 HydrophobicContact CG-CG 4.12Å; L181-F204 HydrophobicContact CG-CZ 3.64Å | ||
| 182 | T | 98.6 | Very high | 98.3 | Very high | 87 Ų | 87 | 83 Ų | 83 | 53% | 0.534 | 37% | 0.37 | S | S | . | . | trans | -72.8 | 166.2 | 163.2 | 64.8 | 0 | 0 | 0 | 0 | 110.7 | R184 R185 R186 | T182-R184 PolarHBondContact O-N 3.32Å; T182-R185 WeakPolarHBondContact OG1-CB 3.36Å; T182-R185 PolarHBondContact OG1-N 3.29Å; T182-R186 WeakPolarHBondContact O-CB 3.46Å; T182-R186 PolarHBondContact O-N 3.44Å; T182-R186 VanDerWaalsContact O-N 3.14Å | ||
| 183 | R | 98.4 | Very high | 98.3 | Very high | 134 Ų | 134 | 80.2 Ų | 80.2 | 51% | 0.506 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 177.3 | -179.8 | 67.5 | 179.6 | 89.6 | -10 | 111.9 | R186 I187 E197 | R183-R186 WeakPolarHBondContact O-CB 3.32Å; R183-R186 PolarHBondContact O-N 3.13Å; R183-I187 WeakPolarHBondContact O-CG1 3.17Å; R183-I187 PolarHBondContact O-N 3.36Å; R183-E197 IonicContact CZ-OE1 2.87Å; R183-E197 VanDerWaalsContact CZ-OE1 3.24Å; R183-E197 IonicContact CZ-OE2 3.01Å; R183-E197 IonicContact NE-OE2 3.78Å; R183-E197 IonicContact NH1-OE1 2.81Å; R183-E197 PolarHBondContact NH1-OE1 3.46Å; R183-E197 IonicContact NH1-OE2 2.7Å; R183-E197 PolarHBondContact NH1-OE2 3.41Å; R183-E197 IonicContact NH2-OE1 3.95Å; R183-E197 PolarHBondContact NH2-OE1 3.4Å; R183-E197 IonicContact NH2-OE2 3.21Å; R183-E197 PolarHBondContact NH2-OE2 2.84Å |
| 184 | R | 98.3 | Very high | 98.3 | Very high | 183 Ų | 183 | 80.8 Ų | 80.8 | 69% | 0.691 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.9 | -50.8 | -178.9 | -163.5 | -174.5 | 79.3 | -174.5 | -4.2 | 111.5 | T182 R186 I187 E188 | T182-R184 PolarHBondContact O-N 3.32Å; R184-R186 VanDerWaalsContact C-N 3.25Å; R184-R186 PolarHBondContact O-N 3.42Å; R184-I187 WeakPolarHBondContact O-CB 3.49Å; R184-I187 PolarHBondContact O-N 2.87Å; R184-E188 WeakPolarHBondContact CG-OE1 3.46Å; R184-E188 IonicContact CZ-OE1 3.97Å; R184-E188 IonicContact NE-OE1 3.24Å; R184-E188 PolarHBondContact NE-OE1 3.21Å; R184-E188 IonicContact NH2-OE1 2.99Å; R184-E188 PolarHBondContact O-N 2.91Å |
| 185 | R | 98.5 | Very high | 98.3 | Very high | 83 Ų | 83 | 81 Ų | 81 | 31% | 0.313 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61 | -35.2 | -179 | -172.1 | 55.6 | 175 | 178.2 | -0.6 | 112.6 | E174 L181 T182 I187 E188 I189 | E174-R185 IonicContact OE1-CZ 2.81Å; E174-R185 IonicContact OE1-NE 3.82Å; E174-R185 IonicContact OE1-NH2 3.89Å; E174-R185 PolarHBondContact OE1-NH2 2.9Å; E174-R185 IonicContact OE2-CZ 3.69Å; E174-R185 IonicContact OE2-NE 2.76Å; E174-R185 PolarHBondContact OE2-NE 3.23Å; E174-R185 IonicContact OE2-NH2 3.94Å; E174-R185 PolarHBondContact OE2-NH2 2.93Å; L181-R185 HydrophobicContact CD2-CG 3.94Å; T182-R185 WeakPolarHBondContact OG1-CB 3.36Å; T182-R185 PolarHBondContact OG1-N 3.29Å; R185-I187 VanDerWaalsContact C-N 3.31Å; R185-I187 PolarHBondContact O-N 2.81Å; R185-E188 WeakPolarHBondContact CD-OE2 3.44Å; R185-E188 IonicContact CZ-OE2 2.67Å; R185-E188 IonicContact NE-OE2 3.34Å; R185-E188 IonicContact NH1-OE2 2.88Å; R185-E188 PolarHBondContact NH1-OE2 2.89Å; R185-E188 PolarHBondContact O-N 3.26Å; R185-I189 HydrophobicContact CG-CD1 3.87Å; R185-I189 HydrophobicContact CG-CG1 4.43Å; R185-I189 WeakPolarHBondContact O-CG1 3.35Å; R185-I189 PolarHBondContact O-N 2.86Å; R185-I189 VanDerWaalsContact O-N 3.1Å |
| 186 | R | 98.6 | Very high | 98.3 | Very high | 50 Ų | 50 | 83.7 Ų | 83.7 | 19% | 0.189 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 174.8 | -162.4 | -160.6 | -34.3 | -89.1 | -8 | 112.6 | T182 R183 R184 A190 E197 I200 | T182-R186 WeakPolarHBondContact O-CB 3.46Å; T182-R186 PolarHBondContact O-N 3.44Å; T182-R186 VanDerWaalsContact O-N 3.14Å; R183-R186 WeakPolarHBondContact O-CB 3.32Å; R183-R186 PolarHBondContact O-N 3.13Å; R184-R186 VanDerWaalsContact C-N 3.25Å; R184-R186 PolarHBondContact O-N 3.42Å; R186-A190 WeakPolarHBondContact O-CB 3.34Å; R186-A190 PolarHBondContact O-N 3.01Å; R186-E197 IonicContact NE-OE2 3.72Å; R186-I200 HydrophobicContact CG-CB 4.17Å; R186-I200 HydrophobicContact CG-CG2 3.94Å |
| 187 | I | 98.6 | Very high | 98.3 | Very high | 54 Ų | 54 | 81 Ų | 81 | 28% | 0.277 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.9 | -49.4 | 177.5 | -56.2 | 168.9 | 0 | 0 | 0 | 109.8 | R183 R184 R185 I189 A190 H191 | R183-I187 WeakPolarHBondContact O-CG1 3.17Å; R183-I187 PolarHBondContact O-N 3.36Å; R184-I187 WeakPolarHBondContact O-CB 3.49Å; R184-I187 PolarHBondContact O-N 2.87Å; R185-I187 VanDerWaalsContact C-N 3.31Å; R185-I187 PolarHBondContact O-N 2.81Å; I187-I189 VanDerWaalsContact C-N 3.31Å; I187-I189 PolarHBondContact O-N 2.88Å; I187-A190 WeakPolarHBondContact O-CB 3.46Å; I187-A190 PolarHBondContact O-N 3.09Å; I187-A190 VanDerWaalsContact O-N 3.15Å; I187-H191 PolarHBondContact O-N 3.18Å |
| 188 | E | 98.5 | Very high | 98.3 | Very high | 62 Ų | 62 | 80.5 Ų | 80.5 | 29% | 0.29 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.9 | -46.9 | -177.8 | -64.5 | 166.1 | -161.7 | 0 | 0 | 111.3 | R184 R185 T192 | R184-E188 WeakPolarHBondContact CG-OE1 3.46Å; R184-E188 IonicContact CZ-OE1 3.97Å; R184-E188 IonicContact NE-OE1 3.24Å; R184-E188 PolarHBondContact NE-OE1 3.21Å; R184-E188 IonicContact NH2-OE1 2.99Å; R184-E188 PolarHBondContact O-N 2.91Å; R185-E188 WeakPolarHBondContact CD-OE2 3.44Å; R185-E188 IonicContact CZ-OE2 2.67Å; R185-E188 IonicContact NE-OE2 3.34Å; R185-E188 IonicContact NH1-OE2 2.88Å; R185-E188 PolarHBondContact NH1-OE2 2.89Å; R185-E188 PolarHBondContact O-N 3.26Å; E188-T192 WeakPolarHBondContact O-CB 3.21Å; E188-T192 PolarHBondContact O-N 3.26Å; E188-T192 VanDerWaalsContact O-N 3.14Å; E188-T192 PolarHBondContact O-OG1 3.28Å |
| 189 | I | 98.4 | Very high | 98.3 | Very high | 8 Ų | 8 | 79.9 Ų | 79.9 | 4% | 0.041 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 178.6 | -61.2 | 164.8 | 0 | 0 | 0 | 111.3 | L171 E174 L181 R185 I187 H191 T192 L193 I200 | L171-I189 HydrophobicContact CD2-CG2 4.2Å; E174-I189 HydrophobicContact CB-CD1 4.04Å; E174-I189 HydrophobicContact CG-CD1 3.65Å; E174-I189 HydrophobicContact CG-CG1 4.07Å; L181-I189 HydrophobicContact CD1-CD1 3.85Å; L181-I189 HydrophobicContact CD2-CD1 3.82Å; R185-I189 HydrophobicContact CG-CD1 3.87Å; R185-I189 HydrophobicContact CG-CG1 4.43Å; R185-I189 WeakPolarHBondContact O-CG1 3.35Å; R185-I189 PolarHBondContact O-N 2.86Å; R185-I189 VanDerWaalsContact O-N 3.1Å; I187-I189 VanDerWaalsContact C-N 3.31Å; I187-I189 PolarHBondContact O-N 2.88Å; I189-H191 VanDerWaalsContact C-N 3.31Å; I189-H191 PolarHBondContact O-N 2.95Å; I189-T192 PolarHBondContact O-N 2.9Å; I189-L193 HydrophobicContact CG2-CD1 3.67Å; I189-L193 HydrophobicContact CG2-CG 4.13Å; I189-L193 WeakPolarHBondContact O-CB 3.39Å; I189-L193 WeakPolarHBondContact O-CG 3.29Å; I189-L193 PolarHBondContact O-N 3.35Å; I189-I200 HydrophobicContact CG2-CD1 3.92Å |
| 190 | A | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 76.2 Ų | 76.2 | 3% | 0.033 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.4 | -46.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | R186 I187 V194 L195 E197 I200 | R186-A190 WeakPolarHBondContact O-CB 3.34Å; R186-A190 PolarHBondContact O-N 3.01Å; I187-A190 WeakPolarHBondContact O-CB 3.46Å; I187-A190 PolarHBondContact O-N 3.09Å; I187-A190 VanDerWaalsContact O-N 3.15Å; A190-V194 WeakPolarHBondContact O-CA 3.48Å; A190-V194 PolarHBondContact O-N 3.34Å; A190-L195 CarbonylContact C-O 3.53Å; A190-L195 WeakPolarHBondContact CA-O 3.47Å; A190-L195 WeakPolarHBondContact CB-O 3.33Å; A190-L195 PolarHBondContact O-N 2.88Å; A190-L195 VanDerWaalsContact O-O 3.1Å; A190-E197 HydrophobicContact CB-CG 4.24Å; A190-I200 HydrophobicContact CB-CG1 4.07Å |
| 191 | H | 98.4 | Very high | 98.3 | Very high | 139 Ų | 139 | 75.6 Ų | 75.6 | 64% | 0.644 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.1 | -44.5 | 178.2 | -65.9 | -175.5 | 0 | 0 | 0 | 111.7 | I187 I189 L193 V194 | I187-H191 PolarHBondContact O-N 3.18Å; I189-H191 VanDerWaalsContact C-N 3.31Å; I189-H191 PolarHBondContact O-N 2.95Å; H191-L193 VanDerWaalsContact C-N 3.31Å; H191-L193 PolarHBondContact O-N 2.94Å; H191-V194 PolarHBondContact O-N 3.37Å |
| 192 | T | 98.1 | Very high | 98.3 | Very high | 106 Ų | 106 | 77.2 Ų | 77.2 | 65% | 0.65 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.5 | -37.6 | -178.6 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | E188 I189 | E188-T192 WeakPolarHBondContact O-CB 3.21Å; E188-T192 PolarHBondContact O-N 3.26Å; E188-T192 VanDerWaalsContact O-N 3.14Å; E188-T192 PolarHBondContact O-OG1 3.28Å; I189-T192 PolarHBondContact O-N 2.9Å |
| 193 | L | 98 | Very high | 98.3 | Very high | 11 Ų | 11 | 74.5 Ų | 74.5 | 6% | 0.058 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -97.2 | -1.1 | -176 | -59.8 | -173.9 | 0 | 0 | 0 | 114 | Q167 E170 L171 I189 H191 L195 | Q167-L193 HydrophobicContact CG-CB 4.33Å; Q167-L193 PolarHBondContact NE2-O 3.33Å; E170-L193 HydrophobicContact CB-CD1 4.09Å; E170-L193 HydrophobicContact CB-CD2 3.68Å; E170-L193 HydrophobicContact CB-CG 4.46Å; E170-L193 HydrophobicContact CG-CD2 3.95Å; L171-L193 HydrophobicContact CD1-CD1 4.42Å; L171-L193 HydrophobicContact CD2-CD1 3.87Å; L171-L193 HydrophobicContact CG-CD1 3.7Å; I189-L193 HydrophobicContact CG2-CD1 3.67Å; I189-L193 HydrophobicContact CG2-CG 4.13Å; I189-L193 WeakPolarHBondContact O-CB 3.39Å; I189-L193 WeakPolarHBondContact O-CG 3.29Å; I189-L193 PolarHBondContact O-N 3.35Å; H191-L193 VanDerWaalsContact C-N 3.31Å; H191-L193 PolarHBondContact O-N 2.94Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 HydrophobicContact CB-CD1 4.23Å; L193-L195 HydrophobicContact CB-CG 4.22Å; L193-L195 PolarHBondContact O-N 3.35Å |
| 194 | V | 98.3 | Very high | 98.4 | Very high | 132 Ų | 132 | 68.4 Ų | 68.4 | 80% | 0.8 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 48 | -174.8 | -162.3 | 0 | 0 | 0 | 0 | 111 | A190 H191 | A190-V194 WeakPolarHBondContact O-CA 3.48Å; A190-V194 PolarHBondContact O-N 3.34Å; H191-V194 PolarHBondContact O-N 3.37Å |
| 195 | L | 97.8 | Very high | 98.4 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | trans | -123.9 | 149 | 176.6 | -66.8 | 179.2 | 0 | 0 | 0 | 109.4 | Y163 L171 A190 L193 Q199 I200 | Y163-L195 HydrophobicContact CD1-CD1 4.01Å; Y163-L195 HydrophobicContact CD1-CD2 3.9Å; Y163-L195 HydrophobicContact CE1-CD1 3.9Å; Y163-L195 HydrophobicContact CE1-CD2 3.69Å; Y163-L195 HydrophobicContact CE1-CG 4.47Å; L171-L195 HydrophobicContact CD1-CD1 4.33Å; A190-L195 CarbonylContact C-O 3.53Å; A190-L195 WeakPolarHBondContact CA-O 3.47Å; A190-L195 WeakPolarHBondContact CB-O 3.33Å; A190-L195 PolarHBondContact O-N 2.88Å; A190-L195 VanDerWaalsContact O-O 3.1Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 HydrophobicContact CB-CD1 4.23Å; L193-L195 HydrophobicContact CB-CG 4.22Å; L193-L195 PolarHBondContact O-N 3.35Å; L195-Q199 HydrophobicContact CB-CB 4.38Å; L195-I200 HydrophobicContact CB-CD1 3.92Å; L195-I200 HydrophobicContact CB-CG1 4.44Å; L195-I200 HydrophobicContact CD1-CD1 3.95Å | ||
| 196 | S | 98.4 | Very high | 98.4 | Very high | 57 Ų | 57 | 64.6 Ų | 64.6 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | trans | -66.9 | 149.3 | 172.6 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | R198 Q199 I200 | S196-R198 PolarHBondContact O-N 3.4Å; S196-R198 VanDerWaalsContact O-N 3.08Å; S196-Q199 WeakPolarHBondContact O-CA 3.43Å; S196-Q199 WeakPolarHBondContact O-CB 3.35Å; S196-Q199 PolarHBondContact O-N 3.31Å; S196-Q199 VanDerWaalsContact OG-CG 3.28Å; S196-Q199 WeakPolarHBondContact OG-CG 3.44Å; S196-Q199 PolarHBondContact OG-N 3.02Å; S196-Q199 PolarHBondContact OG-OE1 2.93Å; S196-I200 PolarHBondContact O-N 2.85Å; S196-I200 VanDerWaalsContact O-N 3.1Å | ||
| 197 | E | 98.4 | Very high | 98.4 | Very high | 61 Ų | 61 | 64.1 Ų | 64.1 | 29% | 0.285 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -51.3 | -35.3 | 172.6 | -71.2 | -163.4 | -142.4 | 0 | 0 | 113.4 | R183 R186 A190 I200 K201 | R183-E197 IonicContact CZ-OE1 2.87Å; R183-E197 VanDerWaalsContact CZ-OE1 3.24Å; R183-E197 IonicContact CZ-OE2 3.01Å; R183-E197 IonicContact NE-OE2 3.78Å; R183-E197 IonicContact NH1-OE1 2.81Å; R183-E197 PolarHBondContact NH1-OE1 3.46Å; R183-E197 IonicContact NH1-OE2 2.7Å; R183-E197 PolarHBondContact NH1-OE2 3.41Å; R183-E197 IonicContact NH2-OE1 3.95Å; R183-E197 PolarHBondContact NH2-OE1 3.4Å; R183-E197 IonicContact NH2-OE2 3.21Å; R183-E197 PolarHBondContact NH2-OE2 2.84Å; R186-E197 IonicContact NE-OE2 3.72Å; A190-E197 HydrophobicContact CB-CG 4.24Å; E197-I200 PolarHBondContact O-N 3.03Å; E197-K201 WeakPolarHBondContact O-CB 3.49Å; E197-K201 PolarHBondContact O-N 3.3Å |
| 198 | R | 97.9 | Very high | 98.3 | Very high | 180 Ų | 180 | 64.5 Ų | 64.5 | 68% | 0.679 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 176.5 | -175.3 | 178.5 | -175.4 | -84.8 | -1.8 | 111.4 | S196 K201 I202 | S196-R198 PolarHBondContact O-N 3.4Å; S196-R198 VanDerWaalsContact O-N 3.08Å; R198-K201 PolarHBondContact O-N 3.06Å; R198-I202 HydrophobicContact CG-CD1 3.9Å; R198-I202 VanDerWaalsContact NH1-CD1 3.27Å; R198-I202 WeakPolarHBondContact O-CB 3.21Å; R198-I202 VanDerWaalsContact O-CG1 3.29Å; R198-I202 WeakPolarHBondContact O-CG1 3.45Å; R198-I202 PolarHBondContact O-N 3.35Å |
| 199 | Q | 98.3 | Very high | 98.3 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 175.6 | -76.6 | 163.5 | -52.2 | 0 | 0 | 110.8 | L195 S196 K201 I202 W203 | L195-Q199 HydrophobicContact CB-CB 4.38Å; S196-Q199 WeakPolarHBondContact O-CA 3.43Å; S196-Q199 WeakPolarHBondContact O-CB 3.35Å; S196-Q199 PolarHBondContact O-N 3.31Å; S196-Q199 VanDerWaalsContact OG-CG 3.28Å; S196-Q199 WeakPolarHBondContact OG-CG 3.44Å; S196-Q199 PolarHBondContact OG-N 3.02Å; S196-Q199 PolarHBondContact OG-OE1 2.93Å; Q199-K201 VanDerWaalsContact C-N 3.33Å; Q199-K201 PolarHBondContact O-N 3.05Å; Q199-I202 PolarHBondContact O-N 3.39Å; Q199-W203 WeakPolarHBondContact O-CB 3.4Å; Q199-W203 PolarHBondContact O-N 3.48Å |
| 200 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 174.7 | -55.2 | -58.7 | 0 | 0 | 0 | 110.7 | L171 L181 R186 I189 A190 L195 S196 E197 I202 W203 F204 | L171-I200 HydrophobicContact CD2-CD1 3.76Å; L181-I200 HydrophobicContact CD1-CG2 3.52Å; R186-I200 HydrophobicContact CG-CB 4.17Å; R186-I200 HydrophobicContact CG-CG2 3.94Å; I189-I200 HydrophobicContact CG2-CD1 3.92Å; A190-I200 HydrophobicContact CB-CG1 4.07Å; L195-I200 HydrophobicContact CB-CD1 3.92Å; L195-I200 HydrophobicContact CB-CG1 4.44Å; L195-I200 HydrophobicContact CD1-CD1 3.95Å; S196-I200 PolarHBondContact O-N 2.85Å; S196-I200 VanDerWaalsContact O-N 3.1Å; E197-I200 PolarHBondContact O-N 3.03Å; I200-I202 PolarHBondContact O-N 3.13Å; I200-W203 PolarHBondContact O-N 3.04Å; I200-F204 HydrophobicContact CG2-CD2 4.09Å; I200-F204 HydrophobicContact CG2-CE2 4.31Å; I200-F204 WeakPolarHBondContact O-CD2 3.49Å; I200-F204 PolarHBondContact O-N 2.7Å |
| 201 | K | 98.3 | Very high | 98.1 | Very high | 130 Ų | 130 | 75.3 Ų | 75.3 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.1 | -47.3 | 177.6 | -177.7 | -179.9 | 177.1 | -179.8 | 0 | 112.1 | E197 R198 Q199 Q205 | E197-K201 WeakPolarHBondContact O-CB 3.49Å; E197-K201 PolarHBondContact O-N 3.3Å; R198-K201 PolarHBondContact O-N 3.06Å; Q199-K201 VanDerWaalsContact C-N 3.33Å; Q199-K201 PolarHBondContact O-N 3.05Å; K201-Q205 WeakPolarHBondContact O-CB 3.5Å; K201-Q205 PolarHBondContact O-N 3.5Å |
| 202 | I | 98.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 73.4 Ų | 73.4 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 179.5 | -70.5 | 169 | 0 | 0 | 0 | 110.5 | R198 Q199 I200 F204 Q205 N206 | R198-I202 HydrophobicContact CG-CD1 3.9Å; R198-I202 VanDerWaalsContact NH1-CD1 3.27Å; R198-I202 WeakPolarHBondContact O-CB 3.21Å; R198-I202 VanDerWaalsContact O-CG1 3.29Å; R198-I202 WeakPolarHBondContact O-CG1 3.45Å; R198-I202 PolarHBondContact O-N 3.35Å; Q199-I202 PolarHBondContact O-N 3.39Å; I200-I202 PolarHBondContact O-N 3.13Å; I202-F204 PolarHBondContact O-N 3.21Å; I202-Q205 WeakPolarHBondContact O-CB 3.33Å; I202-Q205 PolarHBondContact O-N 3.01Å; I202-N206 VanDerWaalsContact O-CG 3.28Å; I202-N206 PolarHBondContact O-N 3.39Å; I202-N206 PolarHBondContact O-ND2 3.24Å |
| 203 | W | 98.5 | Very high | 97.7 | Very high | 29 Ų | 29 | 76 Ų | 76 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 178.3 | -169.3 | 100.8 | 0 | 0 | 0 | 111.2 | Y163 L171 E172 F175 Q199 I200 Q205 N206 R207 | Y163-W203 AromaticContact CD2-CD1 3.85Å; Y163-W203 AromaticContact CE2-CD1 3.61Å; L171-W203 VanDerWaalsContact C-CH2 3.48Å; L171-W203 HydrophobicContact CB-CD2 3.93Å; L171-W203 HydrophobicContact CB-CE3 3.93Å; L171-W203 HydrophobicContact CB-CH2 3.61Å; L171-W203 HydrophobicContact CB-CZ2 3.58Å; L171-W203 HydrophobicContact CB-CZ3 3.78Å; L171-W203 HydrophobicContact CD1-CD2 3.87Å; L171-W203 HydrophobicContact CD1-CG 3.84Å; L171-W203 HydrophobicContact CD1-CZ2 4.49Å; L171-W203 HydrophobicContact CD2-CD2 4.36Å; L171-W203 HydrophobicContact CD2-CE3 4.28Å; L171-W203 HydrophobicContact CG-CD2 4.28Å; L171-W203 HydrophobicContact CG-CE3 4.48Å; L171-W203 WeakPolarHBondContact O-CH2 3.33Å; L171-W203 WeakPolarHBondContact O-CZ3 3.39Å; E172-W203 HydrophobicContact CG-CH2 3.95Å; E172-W203 HydrophobicContact CG-CZ2 4.01Å; F175-W203 HydrophobicContact CB-CH2 4.37Å; F175-W203 HydrophobicContact CB-CZ3 4.09Å; Q199-W203 WeakPolarHBondContact O-CB 3.4Å; Q199-W203 PolarHBondContact O-N 3.48Å; I200-W203 PolarHBondContact O-N 3.04Å; W203-Q205 VanDerWaalsContact C-N 3.31Å; W203-Q205 PolarHBondContact O-N 3.14Å; W203-N206 PolarHBondContact O-N 3.41Å; W203-R207 HydrophobicContact CE3-CB 3.92Å; W203-R207 HydrophobicContact CE3-CG 4.45Å; W203-R207 HydrophobicContact CH2-CB 4.06Å; W203-R207 HydrophobicContact CH2-CG 3.74Å; W203-R207 HydrophobicContact CZ3-CB 3.67Å; W203-R207 HydrophobicContact CZ3-CG 3.7Å; W203-R207 VanDerWaalsContact O-CB 3.32Å; W203-R207 WeakPolarHBondContact O-CB 3.47Å; W203-R207 PolarHBondContact O-N 3.46Å |
| 204 | F | 98.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 79.4 Ų | 79.4 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.9 | -32.4 | 176.8 | -92 | -103.3 | 0 | 0 | 0 | 113 | L171 E174 F175 L181 I200 I202 R208 | L171-F204 HydrophobicContact CD2-CE2 4.1Å; E174-F204 HydrophobicContact CB-CZ 4.04Å; F175-F204 HydrophobicContact CB-CE1 4.19Å; F175-F204 HydrophobicContact CB-CZ 4.28Å; F175-F204 AromaticContact CD2-CD1 3.97Å; F175-F204 HydrophobicContact CD2-CD1 3.97Å; F175-F204 AromaticContact CD2-CE1 3.9Å; F175-F204 HydrophobicContact CD2-CE1 3.9Å; L181-F204 HydrophobicContact CD1-CD1 4.15Å; L181-F204 HydrophobicContact CD1-CD2 3.62Å; L181-F204 HydrophobicContact CD1-CE1 3.97Å; L181-F204 HydrophobicContact CD1-CE2 3.45Å; L181-F204 VanDerWaalsContact CD1-CE2 3.45Å; L181-F204 HydrophobicContact CD1-CG 3.99Å; L181-F204 HydrophobicContact CD1-CZ 3.63Å; L181-F204 HydrophobicContact CD2-CD1 4.48Å; L181-F204 HydrophobicContact CD2-CE1 3.73Å; L181-F204 HydrophobicContact CD2-CE2 4.37Å; L181-F204 HydrophobicContact CD2-CZ 3.68Å; L181-F204 HydrophobicContact CG-CD1 3.79Å; L181-F204 HydrophobicContact CG-CD2 4.2Å; L181-F204 HydrophobicContact CG-CE1 3.52Å; L181-F204 HydrophobicContact CG-CE2 3.99Å; L181-F204 HydrophobicContact CG-CG 4.12Å; L181-F204 HydrophobicContact CG-CZ 3.64Å; I200-F204 HydrophobicContact CG2-CD2 4.09Å; I200-F204 HydrophobicContact CG2-CE2 4.31Å; I200-F204 WeakPolarHBondContact O-CD2 3.49Å; I200-F204 PolarHBondContact O-N 2.7Å; I202-F204 PolarHBondContact O-N 3.21Å; F204-R208 WeakPolarHBondContact O-CB 3.35Å; F204-R208 WeakPolarHBondContact O-CG 3.3Å; F204-R208 PolarHBondContact O-N 3.46Å; F204-R208 PolarHBondContact O-NE 3.29Å |
| 205 | Q | 98.6 | Very high | 96.8 | Very high | 84 Ų | 84 | 78.8 Ų | 78.8 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.1 | -50.4 | 172.3 | -173.7 | 63.9 | 46.8 | 0 | 0 | 110.9 | K201 I202 W203 R207 R208 M209 | K201-Q205 WeakPolarHBondContact O-CB 3.5Å; K201-Q205 PolarHBondContact O-N 3.5Å; I202-Q205 WeakPolarHBondContact O-CB 3.33Å; I202-Q205 PolarHBondContact O-N 3.01Å; W203-Q205 VanDerWaalsContact C-N 3.31Å; W203-Q205 PolarHBondContact O-N 3.14Å; Q205-R207 VanDerWaalsContact C-N 3.32Å; Q205-R207 PolarHBondContact O-N 2.65Å; Q205-R208 PolarHBondContact O-N 3.45Å; Q205-M209 WeakPolarHBondContact O-CG 3.39Å; Q205-M209 PolarHBondContact O-N 2.72Å |
| 206 | N | 98.3 | Very high | 95.5 | Very high | 101 Ų | 101 | 87 Ų | 87 | 54% | 0.54 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 178.1 | -68.4 | -16.9 | 0 | 0 | 0 | 111.3 | I202 W203 R208 M209 K210 | I202-N206 VanDerWaalsContact O-CG 3.28Å; I202-N206 PolarHBondContact O-N 3.39Å; I202-N206 PolarHBondContact O-ND2 3.24Å; W203-N206 PolarHBondContact O-N 3.41Å; N206-R208 PolarHBondContact O-N 3.02Å; N206-M209 PolarHBondContact O-N 2.96Å; N206-K210 PolarHBondContact O-N 3.09Å |
| 207 | R | 98.4 | Very high | 93.7 | Very high | 40 Ų | 40 | 91.2 Ų | 91.2 | 15% | 0.151 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 179.7 | -173.1 | 65 | -175.2 | 117.7 | -8.6 | 111.9 | F175 W203 Q205 K210 W211 | F175-R207 HydrophobicContact CB-CG 4.39Å; F175-R207 HydrophobicContact CD1-CG 3.75Å; F175-R207 HydrophobicContact CD2-CB 4.18Å; F175-R207 HydrophobicContact CD2-CG 3.56Å; F175-R207 HydrophobicContact CE1-CG 3.84Å; F175-R207 HydrophobicContact CE2-CB 4.18Å; F175-R207 HydrophobicContact CE2-CG 3.67Å; F175-R207 HydrophobicContact CG-CG 3.61Å; F175-R207 HydrophobicContact CZ-CG 3.8Å; W203-R207 HydrophobicContact CE3-CB 3.92Å; W203-R207 HydrophobicContact CE3-CG 4.45Å; W203-R207 HydrophobicContact CH2-CB 4.06Å; W203-R207 HydrophobicContact CH2-CG 3.74Å; W203-R207 HydrophobicContact CZ3-CB 3.67Å; W203-R207 HydrophobicContact CZ3-CG 3.7Å; W203-R207 VanDerWaalsContact O-CB 3.32Å; W203-R207 WeakPolarHBondContact O-CB 3.47Å; W203-R207 PolarHBondContact O-N 3.46Å; Q205-R207 VanDerWaalsContact C-N 3.32Å; Q205-R207 PolarHBondContact O-N 2.65Å; R207-K210 PolarHBondContact O-N 3.32Å; R207-W211 WeakPolarHBondContact O-CB 3.4Å; R207-W211 PolarHBondContact O-N 2.51Å |
| 208 | R | 98 | Very high | 92.1 | Very high | 62 Ų | 62 | 94.2 Ų | 94.2 | 23% | 0.234 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 173.7 | -76.1 | -176.5 | -70 | 149.8 | 1.3 | 112.4 | F175 R179 F204 Q205 N206 W211 K212 | F175-R208 HydrophobicContact CE2-CG 3.74Å; F175-R208 HydrophobicContact CZ-CG 4.29Å; R179-R208 WeakPolarHBondContact O-CD 3.47Å; F204-R208 WeakPolarHBondContact O-CB 3.35Å; F204-R208 WeakPolarHBondContact O-CG 3.3Å; F204-R208 PolarHBondContact O-N 3.46Å; F204-R208 PolarHBondContact O-NE 3.29Å; Q205-R208 PolarHBondContact O-N 3.45Å; N206-R208 PolarHBondContact O-N 3.02Å; R208-W211 PolarHBondContact O-N 3.48Å; R208-K212 WeakPolarHBondContact O-CB 3.42Å; R208-K212 PolarHBondContact O-N 2.96Å |
| 209 | M | 97.8 | Very high | 89.8 | Confident | 97 Ų | 97 | 92.2 Ų | 92.2 | 48% | 0.478 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.4 | -66.9 | -63 | -92.9 | 0 | 0 | 111.8 | Q205 N206 K212 K213 | Q205-M209 WeakPolarHBondContact O-CG 3.39Å; Q205-M209 PolarHBondContact O-N 2.72Å; N206-M209 PolarHBondContact O-N 2.96Å; M209-K212 PolarHBondContact O-N 3.27Å; M209-K213 PolarHBondContact O-N 3.16Å |
| 210 | K | 96.4 | Very high | 87.5 | Confident | 122 Ų | 122 | 95.4 Ų | 95.4 | 53% | 0.53 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.6 | -50.3 | 173.7 | -178.4 | 176.6 | 178.5 | -174 | 0 | 111.3 | N206 R207 K212 K213 D214 | N206-K210 PolarHBondContact O-N 3.09Å; R207-K210 PolarHBondContact O-N 3.32Å; K210-K212 VanDerWaalsContact C-N 3.3Å; K210-K212 PolarHBondContact O-N 2.83Å; K210-K213 WeakPolarHBondContact O-CB 3.34Å; K210-K213 PolarHBondContact O-N 2.87Å; K210-D214 WeakPolarHBondContact CG-OD2 3.14Å; K210-D214 PolarHBondContact O-N 2.7Å |
| 211 | W | 95.8 | Very high | 85.3 | Confident | 83 Ų | 83 | 103.2 Ų | 103.2 | 31% | 0.314 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.4 | -46.3 | 177.6 | -178.9 | 73.6 | 0 | 0 | 0 | 112.1 | F175 R179 R207 R208 K213 D214 H215 | F175-W211 HydrophobicContact CE1-CB 4.26Å; F175-W211 HydrophobicContact CE1-CG 4.28Å; F175-W211 HydrophobicContact CZ-CB 3.98Å; F175-W211 HydrophobicContact CZ-CG 4.19Å; R179-W211 VanDerWaalsContact NE-CE2 3.29Å; R207-W211 WeakPolarHBondContact O-CB 3.4Å; R207-W211 PolarHBondContact O-N 2.51Å; R208-W211 PolarHBondContact O-N 3.48Å; W211-K213 VanDerWaalsContact C-N 3.32Å; W211-K213 PolarHBondContact O-N 3.4Å; W211-D214 PolarHBondContact O-N 3.41Å; W211-H215 AromaticContact CD1-CE1 3.2Å; W211-H215 AromaticContact CD1-CG 3.89Å; W211-H215 AromaticContact CD1-ND1 3.34Å; W211-H215 VanDerWaalsContact CD1-ND1 3.34Å; W211-H215 AromaticContact CD1-NE2 3.58Å; W211-H215 AromaticContact CE2-CD2 3.56Å; W211-H215 AromaticContact CE2-CG 3.57Å; W211-H215 AromaticContact CE2-ND1 3.86Å; W211-H215 AromaticContact CE2-NE2 3.84Å; W211-H215 AromaticContact CG-ND1 3.96Å; W211-H215 HydrophobicContact CZ2-CB 4.25Å; W211-H215 AromaticContact CZ2-CD2 3.76Å; W211-H215 AromaticContact CZ2-CG 3.96Å; W211-H215 AromaticContact NE1-CD2 3.09Å; W211-H215 PolarHBondContact NE1-CD2 2.74Å; W211-H215 AromaticContact NE1-CE1 3.01Å; W211-H215 PolarHBondContact NE1-CE1 3.08Å; W211-H215 AromaticContact NE1-CG 3.26Å; W211-H215 VanDerWaalsContact NE1-CG 3.26Å; W211-H215 AromaticContact NE1-ND1 3.18Å; W211-H215 PolarHBondContact NE1-ND1 2.89Å; W211-H215 VanDerWaalsContact NE1-ND1 3.18Å; W211-H215 AromaticContact NE1-NE2 2.88Å; W211-H215 PolarHBondContact NE1-NE2 2.97Å; W211-H215 WeakPolarHBondContact O-CB 3.17Å; W211-H215 PolarHBondContact O-N 2.71Å; W211-H215 PolarHBondContact O-ND1 3.05Å |
| 212 | K | 94.8 | Very high | 83.1 | Confident | 98 Ų | 98 | 103 Ų | 103 | 43% | 0.426 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 175.8 | -179.2 | -178.2 | 73.9 | 170.7 | 0 | 111.9 | R208 M209 K210 R216 | R208-K212 WeakPolarHBondContact O-CB 3.42Å; R208-K212 PolarHBondContact O-N 2.96Å; M209-K212 PolarHBondContact O-N 3.27Å; K210-K212 VanDerWaalsContact C-N 3.3Å; K210-K212 PolarHBondContact O-N 2.83Å; K212-R216 HydrophobicContact CG-CG 4.36Å; K212-R216 WeakPolarHBondContact O-CB 3.44Å; K212-R216 WeakPolarHBondContact O-CD 3.02Å; K212-R216 WeakPolarHBondContact O-CG 3.37Å; K212-R216 PolarHBondContact O-N 3.46Å |
| 213 | K | 94.3 | Very high | 80.7 | Confident | 160 Ų | 160 | 111.5 Ų | 111.5 | 70% | 0.696 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.2 | -47.1 | 176.7 | -175.9 | 178.1 | 178.1 | 179 | 0 | 111.1 | M209 K210 W211 H215 | M209-K213 PolarHBondContact O-N 3.16Å; K210-K213 WeakPolarHBondContact O-CB 3.34Å; K210-K213 PolarHBondContact O-N 2.87Å; W211-K213 VanDerWaalsContact C-N 3.32Å; W211-K213 PolarHBondContact O-N 3.4Å; K213-H215 VanDerWaalsContact C-N 3.29Å; K213-H215 PolarHBondContact O-N 3.02Å |
| 214 | D | 90.7 | Very high | 78.3 | Confident | 84 Ų | 84 | 114.1 Ų | 114.1 | 45% | 0.449 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.7 | -28.6 | -176.3 | -58.6 | -14.9 | 0 | 0 | 0 | 112.2 | K210 W211 | K210-D214 WeakPolarHBondContact CG-OD2 3.14Å; K210-D214 PolarHBondContact O-N 2.7Å; W211-D214 PolarHBondContact O-N 3.41Å |
| 215 | H | 86.6 | Confident | 76.1 | Confident | 119 Ų | 119 | 119.3 Ų | 119.3 | 55% | 0.551 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 4.1 | -174.1 | -65.6 | 56.4 | 0 | 0 | 0 | 114.3 | W211 K213 | W211-H215 AromaticContact CD1-CE1 3.2Å; W211-H215 AromaticContact CD1-CG 3.89Å; W211-H215 AromaticContact CD1-ND1 3.34Å; W211-H215 VanDerWaalsContact CD1-ND1 3.34Å; W211-H215 AromaticContact CD1-NE2 3.58Å; W211-H215 AromaticContact CE2-CD2 3.56Å; W211-H215 AromaticContact CE2-CG 3.57Å; W211-H215 AromaticContact CE2-ND1 3.86Å; W211-H215 AromaticContact CE2-NE2 3.84Å; W211-H215 AromaticContact CG-ND1 3.96Å; W211-H215 HydrophobicContact CZ2-CB 4.25Å; W211-H215 AromaticContact CZ2-CD2 3.76Å; W211-H215 AromaticContact CZ2-CG 3.96Å; W211-H215 AromaticContact NE1-CD2 3.09Å; W211-H215 PolarHBondContact NE1-CD2 2.74Å; W211-H215 AromaticContact NE1-CE1 3.01Å; W211-H215 PolarHBondContact NE1-CE1 3.08Å; W211-H215 AromaticContact NE1-CG 3.26Å; W211-H215 VanDerWaalsContact NE1-CG 3.26Å; W211-H215 AromaticContact NE1-ND1 3.18Å; W211-H215 PolarHBondContact NE1-ND1 2.89Å; W211-H215 VanDerWaalsContact NE1-ND1 3.18Å; W211-H215 AromaticContact NE1-NE2 2.88Å; W211-H215 PolarHBondContact NE1-NE2 2.97Å; W211-H215 WeakPolarHBondContact O-CB 3.17Å; W211-H215 PolarHBondContact O-N 2.71Å; W211-H215 PolarHBondContact O-ND1 3.05Å; K213-H215 VanDerWaalsContact C-N 3.29Å; K213-H215 PolarHBondContact O-N 3.02Å |
| 216 | R | 70.8 | Confident | 73.4 | Confident | 192 Ų | 192 | 120.1 Ų | 120.1 | 73% | 0.725 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -106.4 | 11.2 | 179.4 | -80.3 | -178.4 | 141.3 | -113.4 | -4.1 | 114.9 | K212 P218 | K212-R216 HydrophobicContact CG-CG 4.36Å; K212-R216 WeakPolarHBondContact O-CB 3.44Å; K212-R216 WeakPolarHBondContact O-CD 3.02Å; K212-R216 WeakPolarHBondContact O-CG 3.37Å; K212-R216 PolarHBondContact O-N 3.46Å; R216-P218 VanDerWaalsContact O-CD 3.3Å; R216-P218 WeakPolarHBondContact O-CD 3.22Å |
| 217 | L | 60.1 | Low | 71.1 | Confident | 145 Ų | 145 | 121.4 Ų | 121.4 | 76% | 0.759 | 62% | 0.619 | S | S | * | * | trans | -101.2 | 102.9 | 169.3 | -68.4 | 161.6 | 0 | 0 | 0 | 108 | N219 | L217-N219 PolarHBondContact O-N 3.08Š| ||
| 218 | P | 65.2 | Low | 68.4 | Low | 123 Ų | 123 | 124.5 Ų | 124.5 | 80% | 0.799 | 65% | 0.647 | S | S | * | * | trans | -70.4 | 126.4 | 161.6 | 29.6 | -28.9 | 0 | 0 | 0 | 108.3 | R216 | R216-P218 VanDerWaalsContact O-CD 3.3Å; R216-P218 WeakPolarHBondContact O-CD 3.22Å | ||
| 219 | N | 48.6 | Very low | 65.7 | Low | 138 Ų | 138 | 128.9 Ų | 128.9 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | trans | 67.7 | 80.2 | 146.4 | -156.6 | 63.2 | 0 | 0 | 0 | 118.5 | L217 | L217-N219 PolarHBondContact O-N 3.08Š| ||
| 220 | T | 50.2 | Low | 62.9 | Low | 128 Ų | 128 | 130.2 Ų | 130.2 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | -125.5 | 87.3 | 131.8 | 58.4 | 0 | 0 | 0 | 0 | 109.1 | V222 | T220-V222 PolarHBondContact O-N 2.8Š| ||
| 221 | K | 52.7 | Low | 60.1 | Low | 164 Ų | 164 | 129.6 Ų | 129.6 | 71% | 0.713 | 70% | 0.7 | S | S | * | * | trans | -64 | 80.3 | 160.8 | 178.7 | 70.2 | 173.9 | -179.3 | 0 | 108.4 | S224 | K221-S224 PolarHBondContact NZ-OG 2.96Š| ||
| 222 | V | 51.9 | Low | 57.5 | Low | 124 Ų | 124 | 130 Ų | 130 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -164.7 | 91.7 | 159.5 | -107.9 | 0 | 0 | 0 | 0 | 103.6 | T220 | T220-V222 PolarHBondContact O-N 2.8Š| ||
| 223 | R | 49 | Very low | 54.7 | Low | 241 Ų | 241 | 132 Ų | 132 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | -166.1 | 88.1 | 78.1 | -160 | 154.7 | -161.9 | 174.6 | 2.7 | 109.1 | |||||
| 224 | S | 46.5 | Very low | 52.1 | Low | 84 Ų | 84 | 130.1 Ų | 130.1 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | trans | -68.9 | 126 | 152.2 | -60.7 | 0 | 0 | 0 | 0 | 106.2 | K221 S226 | K221-S224 PolarHBondContact NZ-OG 2.96Å; S224-S226 PolarHBondContact O-N 3.23Å | ||
| 225 | S | 53.6 | Low | 49.4 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -47.5 | 111.8 | 169.6 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 226 | S | 41.8 | Very low | 47.2 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -139 | 100.9 | 151.4 | 69.3 | 0 | 0 | 0 | 0 | 108.7 | S224 S228 | S224-S226 PolarHBondContact O-N 3.23Å; S226-S228 PolarHBondContact O-N 2.98Å | ||
| 227 | S | 50.8 | Low | 45.6 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -64 | 112.6 | 158.3 | -48.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 228 | S | 41.3 | Very low | 44.4 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -161.1 | 110.3 | 154.1 | 19.4 | 0 | 0 | 0 | 0 | 108.9 | S226 | S226-S228 PolarHBondContact O-N 2.98Š| ||
| 229 | N | 41.3 | Very low | 43.1 | Very low | 154 Ų | 154 | 124 Ų | 124 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -54.6 | 141.8 | 159.5 | -73.6 | -15.9 | 0 | 0 | 0 | 109.6 | ||||
| 230 | T | 38.3 | Very low | 42.6 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | 166.6 | 118 | 107.3 | 42.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 231 | S | 38.9 | Very low | 41.8 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | 32.8 | 120.3 | 139.3 | 55.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 232 | A | 41.1 | Very low | 41 | Very low | 91 Ų | 91 | 120.2 Ų | 120.2 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | 47.8 | 127.8 | 128.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 233 | T | 35.4 | Very low | 40.3 | Very low | 140 Ų | 140 | 118 Ų | 118 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | 178.3 | 149.3 | 110.7 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 234 | S | 40.1 | Very low | 39.6 | Very low | 121 Ų | 121 | 111.8 Ų | 111.8 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -72.9 | 169.7 | -170.4 | -43.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 235 | G | 33 | Very low | 39 | Very low | 66 Ų | 66 | 114.3 Ų | 114.3 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | trans | 120.7 | 98.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 236 | S | 40 | Very low | 38.6 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | 75.2 | 110.8 | 82.3 | 74.8 | 0 | 0 | 0 | 0 | 117 | |||||
| 237 | N | 38.5 | Very low | 39.4 | Very low | 145 Ų | 145 | 116.9 Ų | 116.9 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 91.5 | 140.3 | 132.5 | -63.4 | -3.8 | 0 | 0 | 0 | 124 | ||||
| 238 | T | 33.5 | Very low | 38.5 | Very low | 132 Ų | 132 | 123 Ų | 123 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 90 | 99.5 | 143.9 | 46.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 239 | A | 38.2 | Very low | 38.3 | Very low | 87 Ų | 87 | 122.1 Ų | 122.1 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | 43.7 | 120.8 | 116.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 240 | S | 38 | Very low | 38.3 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | 90.5 | 134 | 122.7 | 78.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 241 | T | 34.3 | Very low | 38.1 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | trans | 113.2 | 118.6 | 131.2 | -46.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 242 | T | 36.6 | Very low | 38.1 | Very low | 133 Ų | 133 | 118.5 Ų | 118.5 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | 63 | 157.4 | 150.5 | 58.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 243 | A | 35.4 | Very low | 37.8 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | cis | -177 | 149 | -25.6 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 244 | S | 36 | Very low | 38.2 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 52.9 | 121.4 | 153 | 49.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 245 | T | 33.7 | Very low | 38.6 | Very low | 137 Ų | 137 | 123 Ų | 123 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | 176.5 | 120.8 | 117.6 | -68.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 246 | L | 43.7 | Very low | 39.8 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -116.8 | 175.1 | 156.1 | -87.7 | 176.4 | 0 | 0 | 0 | 106.3 | ||||
| 247 | P | 59.4 | Low | 39.7 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | cis | -134 | 172.9 | -19.3 | 27.4 | -6.2 | 0 | 0 | 0 | 112.7 | ||||
| 248 | R | 31.4 | Very low | 39.7 | Very low | 254 Ų | 254 | 123 Ų | 123 | 96% | 0.958 | 77% | 0.772 | S | S | * | * | trans | -157.7 | 133.4 | 141.1 | -151.5 | 151.1 | 94.9 | -158.7 | 7.9 | 113.4 | ||||
| 249 | A | 38.5 | Very low | 39.8 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -80 | 154.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 250 | V | 41.3 | Very low | 39.8 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -163.2 | 116.5 | 132.8 | -177.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 251 | G | 34.2 | Very low | 40.1 | Very low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | 68 | 135.4 | 104.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 252 | S | 37.9 | Very low | 40.3 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | cis | 173.9 | 165.6 | 9.1 | 30.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 253 | N | 34.6 | Very low | 40.9 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 84 | 137 | 164.8 | -59.8 | -4 | 0 | 0 | 0 | 116.5 | ||||
| 254 | T | 44.6 | Very low | 41.1 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | cis | -166.2 | 136.3 | 0.8 | -88.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 255 | M | 47.9 | Very low | 41 | Very low | 176 Ų | 176 | 137 Ų | 137 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -97.4 | 153.8 | 160.5 | -83.4 | -79.2 | -178.6 | 0 | 0 | 108.8 | ||||
| 256 | P | 57.5 | Low | 41.6 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -116.6 | 140.2 | 141.7 | 31.9 | -21.7 | 0 | 0 | 0 | 111.7 | ||||
| 257 | A | 39.2 | Very low | 41.4 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -100.4 | 176.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 258 | S | 37.1 | Very low | 40.3 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 98.5 | 128.3 | 161.6 | -48 | 0 | 0 | 0 | 0 | 114 | ||||
| 259 | Q | 36.4 | Very low | 40.8 | Very low | 181 Ų | 181 | 132.6 Ų | 132.6 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | cis | -155 | 137.6 | 20.3 | -92.1 | 139.3 | 30 | 0 | 0 | 106.5 | ||||
| 260 | E | 38 | Very low | 40.8 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | 57.8 | 99.3 | 51.7 | -121 | -76.9 | 112.4 | 0 | 0 | 114.7 | S262 | E260-S262 PolarHBondContact OE1-N 3.43Š| |||
| 261 | L | 44.4 | Very low | 40.9 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | -139.1 | 97.1 | 145.1 | -94.4 | 171.4 | 0 | 0 | 0 | 108.7 | ||||
| 262 | S | 37.4 | Very low | 41 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 51% | 0.51 | 76% | 0.759 | S | S | . | * | trans | -44.8 | 132.4 | 161.7 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | E260 | E260-S262 PolarHBondContact OE1-N 3.43Š| ||
| 263 | R | 49.5 | Very low | 41.1 | Very low | 241 Ų | 241 | 142.1 Ų | 142.1 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | 61.1 | 111.1 | 91.8 | -117 | -176.7 | -170.6 | 170.9 | 2.6 | 114.8 | |||||
| 264 | V | 39.8 | Very low | 41.5 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -131.8 | 132.6 | 150.4 | 175.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 265 | S | 34.1 | Very low | 41.5 | Very low | 94 Ų | 94 | 146.9 Ų | 146.9 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | trans | -32.6 | 135.2 | 173.6 | 45.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 266 | V | 47 | Very low | 41.2 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | 46.4 | 118 | 84.1 | -173.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 267 | V | 38.8 | Very low | 40.4 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 67% | 0.673 | 79% | 0.788 | S | S | * | * | trans | 170.1 | 120.9 | 130.6 | 157.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 268 | E | 37.3 | Very low | 40.5 | Very low | 141 Ų | 141 | 155.2 Ų | 155.2 | 66% | 0.659 | 79% | 0.791 | S | S | * | * | trans | 56.3 | 148.1 | 149.2 | -74.5 | 179.6 | 110 | 0 | 0 | 119.8 | ||||
| 269 | R | 40.6 | Very low | 40.6 | Very low | 188 Ų | 188 | 157.8 Ų | 157.8 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | cis | -165.7 | 148.8 | 18.4 | -131.4 | 171.8 | -87.1 | 108 | 4 | 107.2 | ||||
| 270 | D | 38.8 | Very low | 40.9 | Very low | 137 Ų | 137 | 156.4 Ų | 156.4 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -43.8 | 141.4 | 164.4 | -63.1 | -76 | 0 | 0 | 0 | 113.4 | ||||
| 271 | Q | 43.7 | Very low | 41.1 | Very low | 202 Ų | 202 | 156.8 Ų | 156.8 | 94% | 0.944 | 80% | 0.796 | S | S | * | * | -139.4 | 122.6 | 129.8 | -71.6 | -161.6 | 9.1 | 0 | 0 | 110.5 | |||||
| 272 | D | 36.8 | Very low | 40.8 | Very low | 126 Ų | 126 | 155.7 Ų | 155.7 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | trans | -57.8 | 154.8 | 177.8 | -93.9 | -44.4 | 0 | 0 | 0 | 115.7 | ||||
| 273 | I | 39.1 | Very low | 41.1 | Very low | 135 Ų | 135 | 161.6 Ų | 161.6 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | 41.7 | 111.3 | 126.7 | -51.2 | 162.5 | 0 | 0 | 0 | 116.2 | |||||
| 274 | T | 42.8 | Very low | 40.4 | Very low | 141 Ų | 141 | 155.5 Ų | 155.5 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | -150.1 | 130.5 | 121.6 | -40 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 275 | R | 44.2 | Very low | 40.5 | Very low | 230 Ų | 230 | 157 Ų | 157 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -42.9 | 140.3 | 164.5 | -66.9 | 170.7 | 156.1 | 166.6 | -6.9 | 113 | ||||
| 276 | L | 42.8 | Very low | 41.1 | Very low | 248 Ų | 248 | 162.7 Ų | 162.7 | 100% | 1.298 | 81% | 0.81 | S | S | * | * | -158.3 | 0 | 124.9 | -98.3 | 162.5 | 0 | 0 | 0 | 108.5 |
Retrieved 276 of 276 residues in 765.3 ms
(Link to these results)