| 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 | 39 | Very low | 43.3 | Very low | 251 Ų | 251 | 130.1 Ų | 130.1 | 100% | 1.236 | 82% | 0.821 | S | S | * | * | 0 | 131.5 | 0 | -76.3 | -165 | 142.8 | 0 | 0 | 108.3 | |||||
| 2 | A | 39.8 | Very low | 43.8 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -75.6 | 150.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 3 | S | 41 | Very low | 44.1 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | -176.4 | 132.9 | 107.9 | -131.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 4 | L | 47.6 | Very low | 44.2 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -55.8 | 129.1 | 165.1 | -95.5 | 61.8 | 0 | 0 | 0 | 110.4 | ||||
| 5 | G | 39.2 | Very low | 44.7 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | -106 | 63.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 6 | S | 48 | Very low | 44.7 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -82.9 | 131.1 | 168.8 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 7 | G | 42.2 | Very low | 44.8 | Very low | 53 Ų | 53 | 128 Ų | 128 | 55% | 0.546 | 79% | 0.793 | S | S | . | * | trans | 160.3 | 55.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | W9 | G7-W9 PolarHBondContact O-N 3.07Š| ||
| 8 | N | 45.1 | Very low | 45.2 | Very low | 143 Ų | 143 | 124.7 Ų | 124.7 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | -67.7 | 118.1 | 161.1 | -177.9 | 23.3 | 0 | 0 | 0 | 107.9 | S10 | N8-S10 PolarHBondContact O-N 3.22Š| ||
| 9 | W | 44 | Very low | 45.6 | Very low | 247 Ų | 247 | 124.4 Ų | 124.4 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | trans | -75.3 | 65.6 | 174 | -67.4 | 75.2 | 0 | 0 | 0 | 109.6 | G7 G11 | G7-W9 PolarHBondContact O-N 3.07Å; W9-G11 VanDerWaalsContact C-N 3.33Å; W9-G11 PolarHBondContact O-N 3.44Å; W9-G11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | S | 41.3 | Very low | 45.6 | Very low | 83 Ų | 83 | 126.7 Ų | 126.7 | 58% | 0.58 | 78% | 0.783 | S | S | * | * | trans | -76.3 | 92.3 | 162.6 | 48.3 | 0 | 0 | 0 | 0 | 107.7 | N8 V12 | N8-S10 PolarHBondContact O-N 3.22Å; S10-V12 VanDerWaalsContact C-N 3.31Å; S10-V12 PolarHBondContact O-N 3.34Å | ||
| 11 | G | 48.9 | Very low | 45.8 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -62.7 | 92.5 | 166 | 0 | 0 | 0 | 0 | 0 | 109.8 | W9 | W9-G11 VanDerWaalsContact C-N 3.33Å; W9-G11 PolarHBondContact O-N 3.44Å; W9-G11 VanDerWaalsContact O-N 3.11Å | ||
| 12 | V | 49.4 | Very low | 46 | Very low | 109 Ų | 109 | 124 Ų | 124 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | trans | -86.4 | 124.6 | 161.1 | 179.5 | 0 | 0 | 0 | 0 | 105.7 | S10 T14 | S10-V12 VanDerWaalsContact C-N 3.31Å; S10-V12 PolarHBondContact O-N 3.34Å; V12-T14 PolarHBondContact O-N 3.28Å | ||
| 13 | P | 47.7 | Very low | 46.6 | Very low | 100 Ų | 100 | 125 Ų | 125 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | trans | -64.5 | 111.6 | 164.4 | 26.8 | -28.3 | 0 | 0 | 0 | 106 | Q15 | P13-Q15 PolarHBondContact O-N 2.73Š| ||
| 14 | T | 45.4 | Very low | 47.3 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 83% | 0.828 | 74% | 0.74 | S | S | * | * | trans | -61.8 | 89.6 | 166.6 | -49 | 0 | 0 | 0 | 0 | 106.2 | V12 S16 | V12-T14 PolarHBondContact O-N 3.28Å; T14-S16 PolarHBondContact O-N 3.38Å | ||
| 15 | Q | 51.8 | Low | 47.6 | Very low | 167 Ų | 167 | 122.6 Ų | 122.6 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | trans | -64.6 | 94.5 | 169.1 | -60.3 | -174 | 86.6 | 0 | 0 | 104.9 | P13 T17 | P13-Q15 PolarHBondContact O-N 2.73Å; Q15-T17 PolarHBondContact O-N 3.32Å | ||
| 16 | S | 44.4 | Very low | 48.1 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | -61.7 | 94 | 167.1 | -175.5 | 0 | 0 | 0 | 0 | 105.8 | T14 A18 | T14-S16 PolarHBondContact O-N 3.38Å; S16-A18 PolarHBondContact O-N 3.48Å | ||
| 17 | T | 46.3 | Very low | 48.5 | Very low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | -65.9 | 86 | 167.8 | -57.5 | 0 | 0 | 0 | 0 | 106.1 | Q15 | Q15-T17 PolarHBondContact O-N 3.32Š| ||
| 18 | A | 51.9 | Low | 48.9 | Very low | 69 Ų | 69 | 130.9 Ų | 130.9 | 57% | 0.57 | 74% | 0.738 | S | S | * | * | trans | -54.1 | 128.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | S16 M20 | S16-A18 PolarHBondContact O-N 3.48Å; A18-M20 PolarHBondContact O-N 3.1Å | ||
| 19 | P | 53.3 | Low | 48.6 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | -58.5 | 115.9 | 173.6 | 19.1 | -24.3 | 0 | 0 | 0 | 107 | P21 | P19-P21 WeakPolarHBondContact O-CD 3.42Å; P19-P21 VanDerWaalsContact O-N 3.12Å | ||
| 20 | M | 45.9 | Very low | 48.5 | Very low | 170 Ų | 170 | 125 Ų | 125 | 84% | 0.837 | 72% | 0.721 | S | S | * | * | trans | -49.4 | 122.3 | 170.5 | -84.1 | 170.8 | 62.1 | 0 | 0 | 107.2 | A18 W22 | A18-M20 PolarHBondContact O-N 3.1Å; M20-W22 PolarHBondContact O-N 3.01Å | ||
| 21 | P | 49.6 | Very low | 48.5 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | trans | -64.7 | 108.5 | 166.4 | 27.2 | -30.6 | 0 | 0 | 0 | 105.5 | P19 V23 | P19-P21 WeakPolarHBondContact O-CD 3.42Å; P19-P21 VanDerWaalsContact O-N 3.12Å; P21-V23 VanDerWaalsContact C-N 3.31Å; P21-V23 PolarHBondContact O-N 3.1Å | ||
| 22 | W | 43.8 | Very low | 48.1 | Very low | 212 Ų | 212 | 132.8 Ų | 132.8 | 80% | 0.803 | 73% | 0.728 | S | S | * | * | trans | -60.6 | 98.6 | 171.2 | 49.8 | -77.6 | 0 | 0 | 0 | 106.6 | M20 T24 | M20-W22 PolarHBondContact O-N 3.01Å; W22-T24 WeakPolarHBondContact CZ3-OG1 3.43Å; W22-T24 PolarHBondContact O-N 3.11Å | ||
| 23 | V | 50.9 | Low | 47.9 | Very low | 120 Ų | 120 | 133 Ų | 133 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -73.8 | 98.4 | 170 | -177.5 | 0 | 0 | 0 | 0 | 105.6 | P21 I25 | P21-V23 VanDerWaalsContact C-N 3.31Å; P21-V23 PolarHBondContact O-N 3.1Å; V23-I25 HydrophobicContact CG1-CG1 3.83Å; V23-I25 PolarHBondContact O-N 3.14Å | ||
| 24 | T | 55.9 | Low | 47.8 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 55% | 0.546 | 73% | 0.725 | S | S | . | * | trans | -70.2 | 93 | 165.3 | -56.7 | 0 | 0 | 0 | 0 | 106.9 | W22 L26 | W22-T24 WeakPolarHBondContact CZ3-OG1 3.43Å; W22-T24 PolarHBondContact O-N 3.11Å; T24-L26 VanDerWaalsContact C-N 3.33Å; T24-L26 HydrophobicContact CG2-CD2 4.45Å; T24-L26 PolarHBondContact O-N 3.34Å | ||
| 25 | I | 54.5 | Low | 47.8 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | trans | -68.7 | 101.1 | 165.4 | -57.1 | 176.3 | 0 | 0 | 0 | 105.1 | V23 Q27 | V23-I25 HydrophobicContact CG1-CG1 3.83Å; V23-I25 PolarHBondContact O-N 3.14Å; I25-Q27 VanDerWaalsContact C-N 3.28Å; I25-Q27 PolarHBondContact O-N 2.91Å | ||
| 26 | L | 49 | Very low | 47.6 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 80% | 0.801 | 72% | 0.717 | S | S | * | * | trans | -62.8 | 97.9 | 165.3 | -73.3 | 170.3 | 0 | 0 | 0 | 106.5 | T24 P28 | T24-L26 VanDerWaalsContact C-N 3.33Å; T24-L26 HydrophobicContact CG2-CD2 4.45Å; T24-L26 PolarHBondContact O-N 3.34Å; L26-P28 VanDerWaalsContact O-CD 3.25Å; L26-P28 WeakPolarHBondContact O-CD 3.3Å; L26-P28 VanDerWaalsContact O-N 3.17Å | ||
| 27 | Q | 57 | Low | 47.8 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 118.7 | 170.4 | -174.5 | -170.9 | 8.4 | 0 | 0 | 107.2 | I25 F29 | I25-Q27 VanDerWaalsContact C-N 3.28Å; I25-Q27 PolarHBondContact O-N 2.91Å; Q27-F29 PolarHBondContact O-N 3.12Å |
| 28 | P | 49.8 | Very low | 48 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 124.5 | 171.5 | 24 | -29.6 | 0 | 0 | 0 | 107.8 | L26 | L26-P28 VanDerWaalsContact O-CD 3.25Å; L26-P28 WeakPolarHBondContact O-CD 3.3Å; L26-P28 VanDerWaalsContact O-N 3.17Å |
| 29 | F | 40.1 | Very low | 48.1 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 129.1 | -178 | -170.1 | -98.1 | 0 | 0 | 0 | 110.7 | Q27 W31 | Q27-F29 PolarHBondContact O-N 3.12Å; F29-W31 PolarHBondContact O-N 3.19Å |
| 30 | P | 42 | Very low | 48 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 60% | 0.597 | 71% | 0.713 | S | S | * | * | trans | -69.4 | 99.1 | 175.3 | 27 | -30.1 | 0 | 0 | 0 | 108.3 | T32 | P30-T32 PolarHBondContact O-N 3.26Š| ||
| 31 | W | 40.2 | Very low | 48.5 | Very low | 200 Ų | 200 | 130.7 Ų | 130.7 | 76% | 0.758 | 70% | 0.699 | S | S | * | * | trans | -72.1 | 110.6 | 175.2 | 61 | -70.7 | 0 | 0 | 0 | 108.4 | F29 V33 | F29-W31 PolarHBondContact O-N 3.19Å; W31-V33 PolarHBondContact O-N 3.06Å | ||
| 32 | T | 41.4 | Very low | 49 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 77% | 0.767 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.2 | 176.1 | -37.9 | 0 | 0 | 0 | 0 | 108.9 | P30 P34 | P30-T32 PolarHBondContact O-N 3.26Å; T32-P34 VanDerWaalsContact O-CD 3.3Å; T32-P34 WeakPolarHBondContact O-CD 3.2Å |
| 33 | V | 45.5 | Very low | 50.1 | Low | 115 Ų | 115 | 124.4 Ų | 124.4 | 70% | 0.697 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -58 | 118.9 | 174.8 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | W31 S35 | W31-V33 PolarHBondContact O-N 3.06Å; V33-S35 PolarHBondContact O-N 2.67Å |
| 34 | P | 44.1 | Very low | 50.9 | Low | 83 Ų | 83 | 126.1 Ų | 126.1 | 54% | 0.539 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 122.4 | 175.9 | -14.7 | 29.1 | 0 | 0 | 0 | 109.7 | T32 S36 | T32-P34 VanDerWaalsContact O-CD 3.3Å; T32-P34 WeakPolarHBondContact O-CD 3.2Å; P34-S36 PolarHBondContact O-N 3.17Å |
| 35 | S | 46.1 | Very low | 51.7 | Low | 93 Ų | 93 | 126.1 Ų | 126.1 | 65% | 0.65 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 129.1 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | V33 Q37 R42 | V33-S35 PolarHBondContact O-N 2.67Å; S35-Q37 PolarHBondContact O-N 3.27Å; S35-R42 PolarHBondContact O-NH1 3.4Å; S35-R42 PolarHBondContact O-NH2 2.83Å |
| 36 | S | 48.5 | Very low | 52.6 | Low | 114 Ų | 114 | 122.9 Ų | 122.9 | 80% | 0.797 | 65% | 0.649 | S | S | * | * | trans | -66.4 | 111.3 | 177 | 28.6 | 0 | 0 | 0 | 0 | 111.6 | P34 | P34-S36 PolarHBondContact O-N 3.17Š| ||
| 37 | Q | 47.6 | Very low | 54 | Low | 120 Ų | 120 | 120.5 Ų | 120.5 | 56% | 0.561 | 64% | 0.636 | S | S | * | * | trans | -128.2 | 126.2 | 164.8 | -165 | 170.3 | -49.1 | 0 | 0 | 108.8 | S35 Q39 R42 | S35-Q37 PolarHBondContact O-N 3.27Å; Q37-Q39 PolarHBondContact O-N 3.31Å; Q37-Q39 VanDerWaalsContact O-N 3.1Å; Q37-R42 VanDerWaalsContact N-NH1 3.18Å; Q37-R42 WeakPolarHBondContact O-CD 3.4Å | ||
| 38 | P | 50.2 | Low | 55 | Low | 120 Ų | 120 | 116.5 Ų | 116.5 | 78% | 0.779 | 62% | 0.619 | S | S | * | * | trans | -76.5 | 105 | -174.7 | 28.7 | -29.7 | 0 | 0 | 0 | 108.8 | ||||
| 39 | Q | 53.9 | Low | 56.2 | Low | 118 Ų | 118 | 116.1 Ų | 116.1 | 55% | 0.551 | 61% | 0.608 | S | S | * | * | trans | -135.5 | 123.1 | 169.9 | -65.3 | -66.5 | -55.3 | 0 | 0 | 106.9 | Q37 N41 R42 | Q37-Q39 PolarHBondContact O-N 3.31Å; Q37-Q39 VanDerWaalsContact O-N 3.1Å; Q39-N41 PolarHBondContact O-N 3.17Å; Q39-R42 HydrophobicContact CB-CG 4.49Å; Q39-R42 WeakPolarHBondContact O-CB 3.28Å; Q39-R42 PolarHBondContact O-N 3.24Å | ||
| 40 | H | 52.4 | Low | 58 | Low | 191 Ų | 191 | 113 Ų | 113 | 88% | 0.884 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -15.5 | -175.4 | -178.5 | -96.1 | 0 | 0 | 0 | 114.4 | ||
| 41 | N | 56.7 | Low | 59.4 | Low | 104 Ų | 104 | 114.2 Ų | 114.2 | 56% | 0.556 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -28.7 | 171.9 | -110.7 | -19.7 | 0 | 0 | 0 | 114 | Q39 V43 K44 E45 | Q39-N41 PolarHBondContact O-N 3.17Å; N41-V43 VanDerWaalsContact C-N 3.32Å; N41-V43 PolarHBondContact O-N 3.29Å; N41-K44 PolarHBondContact O-N 2.91Å; N41-E45 PolarHBondContact O-N 2.66Å; N41-E45 VanDerWaalsContact O-OE2 3.05Å |
| 42 | R | 59.5 | Low | 61.1 | Low | 84 Ų | 84 | 109.8 Ų | 109.8 | 32% | 0.317 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.2 | -34.5 | -178 | -82.4 | -168 | 171.2 | -167.5 | -0.2 | 113.4 | S35 Q37 Q39 K44 E45 D46 | S35-R42 PolarHBondContact O-NH1 3.4Å; S35-R42 PolarHBondContact O-NH2 2.83Å; Q37-R42 VanDerWaalsContact N-NH1 3.18Å; Q37-R42 WeakPolarHBondContact O-CD 3.4Å; Q39-R42 HydrophobicContact CB-CG 4.49Å; Q39-R42 WeakPolarHBondContact O-CB 3.28Å; Q39-R42 PolarHBondContact O-N 3.24Å; R42-K44 PolarHBondContact O-N 2.92Å; R42-E45 VanDerWaalsContact CA-OE2 3.25Å; R42-E45 WeakPolarHBondContact CA-OE2 3.25Å; R42-E45 PolarHBondContact N-OE2 2.8Å; R42-E45 CarbonylContact O-C 3.53Å; R42-E45 PolarHBondContact O-N 2.76Å; R42-D46 WeakPolarHBondContact O-CB 3.15Å; R42-D46 PolarHBondContact O-N 3.25Å |
| 43 | V | 65.8 | Low | 63.1 | Low | 107 Ų | 107 | 107.8 Ų | 107.8 | 65% | 0.648 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.6 | -35.5 | -179.9 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | N41 L47 | N41-V43 VanDerWaalsContact C-N 3.32Å; N41-V43 PolarHBondContact O-N 3.29Å; V43-L47 VanDerWaalsContact O-CB 3.23Å; V43-L47 WeakPolarHBondContact O-CB 3.26Å; V43-L47 PolarHBondContact O-N 2.91Å |
| 44 | K | 68.6 | Low | 65 | Low | 155 Ų | 155 | 108.4 Ų | 108.4 | 67% | 0.674 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.4 | -40.5 | 176.6 | 179.5 | -176.2 | 161.1 | -169.4 | 0 | 111.4 | N41 R42 L48 | N41-K44 PolarHBondContact O-N 2.91Å; R42-K44 PolarHBondContact O-N 2.92Å; K44-L48 WeakPolarHBondContact O-CB 3.42Å; K44-L48 PolarHBondContact O-N 2.79Å |
| 45 | E | 73.2 | Confident | 66.6 | Low | 90 Ų | 90 | 108.3 Ų | 108.3 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.6 | -43.1 | 175.4 | -70.1 | 119.5 | -152.5 | 0 | 0 | 111.8 | N41 R42 L48 E49 | N41-E45 PolarHBondContact O-N 2.66Å; N41-E45 VanDerWaalsContact O-OE2 3.05Å; R42-E45 VanDerWaalsContact CA-OE2 3.25Å; R42-E45 WeakPolarHBondContact CA-OE2 3.25Å; R42-E45 PolarHBondContact N-OE2 2.8Å; R42-E45 CarbonylContact O-C 3.53Å; R42-E45 PolarHBondContact O-N 2.76Å; E45-L48 CarbonylContact O-C 3.59Å; E45-L48 WeakPolarHBondContact O-CB 3.42Å; E45-L48 PolarHBondContact O-N 2.96Å; E45-E49 VanDerWaalsContact O-CB 3.28Å; E45-E49 WeakPolarHBondContact O-CB 3.23Å; E45-E49 PolarHBondContact O-N 2.97Å |
| 46 | D | 74 | Confident | 68.1 | Low | 72 Ų | 72 | 106.1 Ų | 106.1 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 175.6 | -64.3 | -15.1 | 0 | 0 | 0 | 110.7 | R42 E49 L50 | R42-D46 WeakPolarHBondContact O-CB 3.15Å; R42-D46 PolarHBondContact O-N 3.25Å; D46-E49 PolarHBondContact O-N 2.97Å; D46-L50 VanDerWaalsContact O-CB 3.26Å; D46-L50 WeakPolarHBondContact O-CB 3.32Å; D46-L50 WeakPolarHBondContact O-CD1 3.25Å; D46-L50 WeakPolarHBondContact O-CG 3.31Å; D46-L50 PolarHBondContact O-N 2.9Å |
| 47 | L | 77.6 | Confident | 69.9 | Low | 103 Ų | 103 | 105.9 Ų | 105.9 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 174 | -177.9 | 63.7 | 0 | 0 | 0 | 111.4 | V43 E49 L50 M51 | V43-L47 VanDerWaalsContact O-CB 3.23Å; V43-L47 WeakPolarHBondContact O-CB 3.26Å; V43-L47 PolarHBondContact O-N 2.91Å; L47-E49 VanDerWaalsContact C-N 3.33Å; L47-L50 PolarHBondContact O-N 3.14Å; L47-M51 HydrophobicContact CG-SD 4.45Å; L47-M51 WeakPolarHBondContact O-CB 3.24Å; L47-M51 VanDerWaalsContact O-CG 3.25Å; L47-M51 WeakPolarHBondContact O-CG 3.38Å; L47-M51 PolarHBondContact O-N 2.9Å |
| 48 | L | 77.7 | Confident | 71.8 | Confident | 73 Ų | 73 | 106 Ų | 106 | 38% | 0.382 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 174.6 | -171.6 | 106.4 | 0 | 0 | 0 | 111 | K44 E45 M51 M52 W212 | K44-L48 WeakPolarHBondContact O-CB 3.42Å; K44-L48 PolarHBondContact O-N 2.79Å; E45-L48 CarbonylContact O-C 3.59Å; E45-L48 WeakPolarHBondContact O-CB 3.42Å; E45-L48 PolarHBondContact O-N 2.96Å; L48-M51 PolarHBondContact O-N 3.18Å; L48-M52 HydrophobicContact CD2-CE 3.81Å; L48-M52 HydrophobicContact CD2-SD 4.45Å; L48-M52 HydrophobicContact CG-CE 4.3Å; L48-M52 WeakPolarHBondContact O-CB 3.21Å; L48-M52 VanDerWaalsContact O-CG 3.29Å; L48-M52 WeakPolarHBondContact O-CG 3.4Å; L48-M52 PolarHBondContact O-N 2.78Å; L48-W212 HydrophobicContact CD1-CH2 3.86Å; L48-W212 HydrophobicContact CD1-CZ2 4.39Å |
| 49 | E | 75.4 | Confident | 73.1 | Confident | 106 Ų | 106 | 104.2 Ų | 104.2 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 176.5 | -169.2 | 170.2 | -173.4 | 0 | 0 | 111.1 | E45 D46 L47 M52 L53 | E45-E49 VanDerWaalsContact O-CB 3.28Å; E45-E49 WeakPolarHBondContact O-CB 3.23Å; E45-E49 PolarHBondContact O-N 2.97Å; D46-E49 PolarHBondContact O-N 2.97Å; L47-E49 VanDerWaalsContact C-N 3.33Å; E49-M52 PolarHBondContact O-N 3.32Å; E49-L53 VanDerWaalsContact O-CB 3.24Å; E49-L53 WeakPolarHBondContact O-CB 3.25Å; E49-L53 PolarHBondContact O-N 3.36Å |
| 50 | L | 76.7 | Confident | 74.6 | Confident | 109 Ų | 109 | 105.4 Ų | 105.4 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 173.2 | -75.1 | 165.3 | 0 | 0 | 0 | 112.2 | D46 L47 L53 Q54 | D46-L50 VanDerWaalsContact O-CB 3.26Å; D46-L50 WeakPolarHBondContact O-CB 3.32Å; D46-L50 WeakPolarHBondContact O-CD1 3.25Å; D46-L50 WeakPolarHBondContact O-CG 3.31Å; D46-L50 PolarHBondContact O-N 2.9Å; L47-L50 PolarHBondContact O-N 3.14Å; L50-L53 PolarHBondContact O-N 3.41Å; L50-Q54 WeakPolarHBondContact O-CB 3.29Å; L50-Q54 PolarHBondContact O-N 2.89Å |
| 51 | M | 72.1 | Confident | 76.2 | Confident | 117 Ų | 117 | 101.4 Ų | 101.4 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.2 | -41.4 | 174.7 | -75.2 | -177.2 | 77.2 | 0 | 0 | 111.5 | L47 L48 N55 | L47-M51 HydrophobicContact CG-SD 4.45Å; L47-M51 WeakPolarHBondContact O-CB 3.24Å; L47-M51 VanDerWaalsContact O-CG 3.25Å; L47-M51 WeakPolarHBondContact O-CG 3.38Å; L47-M51 PolarHBondContact O-N 2.9Å; L48-M51 PolarHBondContact O-N 3.18Å; M51-N55 WeakPolarHBondContact O-CB 3.37Å; M51-N55 PolarHBondContact O-N 2.83Å |
| 52 | M | 76.4 | Confident | 77.5 | Confident | 107 Ų | 107 | 101 Ų | 101 | 53% | 0.527 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 174.1 | -75.6 | -170.1 | -58.9 | 0 | 0 | 111.7 | L48 E49 N55 A56 | L48-M52 HydrophobicContact CD2-CE 3.81Å; L48-M52 HydrophobicContact CD2-SD 4.45Å; L48-M52 HydrophobicContact CG-CE 4.3Å; L48-M52 WeakPolarHBondContact O-CB 3.21Å; L48-M52 VanDerWaalsContact O-CG 3.29Å; L48-M52 WeakPolarHBondContact O-CG 3.4Å; L48-M52 PolarHBondContact O-N 2.78Å; E49-M52 PolarHBondContact O-N 3.32Å; M52-N55 WeakPolarHBondContact O-CB 3.37Å; M52-N55 PolarHBondContact O-N 3.37Å; M52-A56 WeakPolarHBondContact O-CB 3.41Å; M52-A56 PolarHBondContact O-N 3.25Å |
| 53 | L | 83.7 | Confident | 78.7 | Confident | 83 Ų | 83 | 101.9 Ų | 101.9 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -44.5 | 178 | -175.3 | 62.5 | 0 | 0 | 0 | 111.2 | E49 L50 N55 A56 Q57 | E49-L53 VanDerWaalsContact O-CB 3.24Å; E49-L53 WeakPolarHBondContact O-CB 3.25Å; E49-L53 PolarHBondContact O-N 3.36Å; L50-L53 PolarHBondContact O-N 3.41Å; L53-N55 VanDerWaalsContact C-N 3.27Å; L53-N55 PolarHBondContact O-N 3.4Å; L53-A56 PolarHBondContact O-N 3.27Å; L53-Q57 WeakPolarHBondContact O-CB 3.38Å; L53-Q57 WeakPolarHBondContact O-CG 3.47Å; L53-Q57 PolarHBondContact O-N 3.04Å |
| 54 | Q | 84.4 | Confident | 79.4 | Confident | 128 Ų | 128 | 98.7 Ų | 98.7 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.7 | -41.1 | 173.2 | -176.1 | -171.5 | 56.5 | 0 | 0 | 111.2 | L50 Q57 M58 | L50-Q54 WeakPolarHBondContact O-CB 3.29Å; L50-Q54 PolarHBondContact O-N 2.89Å; Q54-Q57 PolarHBondContact O-N 3.3Å; Q54-M58 PolarHBondContact O-N 3.08Å |
| 55 | N | 77.4 | Confident | 79.9 | Confident | 81 Ų | 81 | 96 Ų | 96 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 177.7 | -170 | -48 | 0 | 0 | 0 | 111.1 | M51 M52 L53 Q57 M58 H59 | M51-N55 WeakPolarHBondContact O-CB 3.37Å; M51-N55 PolarHBondContact O-N 2.83Å; M52-N55 WeakPolarHBondContact O-CB 3.37Å; M52-N55 PolarHBondContact O-N 3.37Å; L53-N55 VanDerWaalsContact C-N 3.27Å; L53-N55 PolarHBondContact O-N 3.4Å; N55-Q57 PolarHBondContact O-N 3.09Å; N55-M58 PolarHBondContact O-N 3.5Å; N55-H59 PolarHBondContact O-N 3.39Å; N55-H59 PolarHBondContact O-ND1 2.82Å; N55-H59 PolarHBondContact OD1-CE1 3.47Å; N55-H59 PolarHBondContact OD1-ND1 3.32Å |
| 56 | A | 78.9 | Confident | 80.2 | Confident | 46 Ų | 46 | 96.4 Ų | 96.4 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M52 L53 M58 H59 Q60 | M52-A56 WeakPolarHBondContact O-CB 3.41Å; M52-A56 PolarHBondContact O-N 3.25Å; L53-A56 PolarHBondContact O-N 3.27Å; A56-M58 PolarHBondContact O-N 2.93Å; A56-H59 PolarHBondContact O-N 2.87Å; A56-Q60 WeakPolarHBondContact O-CB 3.48Å; A56-Q60 VanDerWaalsContact O-CG 3.29Å; A56-Q60 WeakPolarHBondContact O-CG 3.21Å; A56-Q60 PolarHBondContact O-N 3.01Å |
| 57 | Q | 86 | Confident | 80.5 | Confident | 110 Ų | 110 | 96.9 Ų | 96.9 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 177.6 | -76.1 | 173.8 | -17.1 | 0 | 0 | 111.9 | L53 Q54 N55 Q60 L61 | L53-Q57 WeakPolarHBondContact O-CB 3.38Å; L53-Q57 WeakPolarHBondContact O-CG 3.47Å; L53-Q57 PolarHBondContact O-N 3.04Å; Q54-Q57 PolarHBondContact O-N 3.3Å; N55-Q57 PolarHBondContact O-N 3.09Å; Q57-Q60 PolarHBondContact O-N 2.85Å; Q57-L61 WeakPolarHBondContact O-CB 3.39Å; Q57-L61 PolarHBondContact O-N 3.18Å |
| 58 | M | 86.7 | Confident | 80.3 | Confident | 123 Ų | 123 | 94.4 Ų | 94.4 | 61% | 0.606 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.5 | -46 | 176.2 | -173.7 | -166.5 | -62.2 | 0 | 0 | 111.5 | Q54 N55 A56 Q60 L61 L62 | Q54-M58 PolarHBondContact O-N 3.08Å; N55-M58 PolarHBondContact O-N 3.5Å; A56-M58 PolarHBondContact O-N 2.93Å; M58-Q60 VanDerWaalsContact C-N 3.32Å; M58-Q60 PolarHBondContact O-N 3.29Å; M58-L61 PolarHBondContact O-N 2.82Å; M58-L62 PolarHBondContact O-N 3.31Å |
| 59 | H | 77.9 | Confident | 79.9 | Confident | 82 Ų | 82 | 96.2 Ų | 96.2 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 178.3 | -74.7 | 85.5 | 0 | 0 | 0 | 111.8 | N55 A56 L61 L62 L63 | N55-H59 PolarHBondContact O-N 3.39Å; N55-H59 PolarHBondContact O-ND1 2.82Å; N55-H59 PolarHBondContact OD1-CE1 3.47Å; N55-H59 PolarHBondContact OD1-ND1 3.32Å; A56-H59 PolarHBondContact O-N 2.87Å; H59-L61 VanDerWaalsContact C-N 3.34Å; H59-L62 PolarHBondContact O-N 3.46Å; H59-L63 VanDerWaalsContact O-CB 3.28Å; H59-L63 WeakPolarHBondContact O-CB 3.29Å; H59-L63 VanDerWaalsContact O-CG 3.22Å; H59-L63 WeakPolarHBondContact O-CG 3.17Å; H59-L63 PolarHBondContact O-N 2.86Å |
| 60 | Q | 85.6 | Confident | 79.6 | Confident | 142 Ų | 142 | 94.9 Ų | 94.9 | 66% | 0.664 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 174.4 | -77.9 | -175.5 | -29.8 | 0 | 0 | 112.1 | A56 Q57 M58 G64 | A56-Q60 WeakPolarHBondContact O-CB 3.48Å; A56-Q60 VanDerWaalsContact O-CG 3.29Å; A56-Q60 WeakPolarHBondContact O-CG 3.21Å; A56-Q60 PolarHBondContact O-N 3.01Å; Q57-Q60 PolarHBondContact O-N 2.85Å; M58-Q60 VanDerWaalsContact C-N 3.32Å; M58-Q60 PolarHBondContact O-N 3.29Å; Q60-G64 WeakPolarHBondContact O-CA 3.01Å; Q60-G64 PolarHBondContact O-N 3.31Å |
| 61 | L | 85.9 | Confident | 79.4 | Confident | 108 Ų | 108 | 96.5 Ų | 96.5 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.8 | -45.9 | 176.7 | -175 | 134.9 | 0 | 0 | 0 | 111.8 | Q57 M58 H59 G64 Q65 | Q57-L61 WeakPolarHBondContact O-CB 3.39Å; Q57-L61 PolarHBondContact O-N 3.18Å; M58-L61 PolarHBondContact O-N 2.82Å; H59-L61 VanDerWaalsContact C-N 3.34Å; L61-G64 PolarHBondContact O-N 2.99Å; L61-Q65 WeakPolarHBondContact O-CB 3.44Å; L61-Q65 WeakPolarHBondContact O-CG 3.22Å; L61-Q65 PolarHBondContact O-N 2.75Å |
| 62 | L | 83.9 | Confident | 78.6 | Confident | 94 Ų | 94 | 96.5 Ų | 96.5 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 179 | -176.1 | 69.6 | 0 | 0 | 0 | 111.5 | M58 H59 G64 Q65 L66 | M58-L62 PolarHBondContact O-N 3.31Å; H59-L62 PolarHBondContact O-N 3.46Å; L62-G64 VanDerWaalsContact C-N 3.34Å; L62-Q65 PolarHBondContact O-N 3.05Å; L62-L66 HydrophobicContact CG-CD1 4.43Å; L62-L66 VanDerWaalsContact O-CG 3.32Å; L62-L66 WeakPolarHBondContact O-CG 3.27Å; L62-L66 PolarHBondContact O-N 2.98Å |
| 63 | L | 84.4 | Confident | 77.7 | Confident | 103 Ų | 103 | 96.7 Ų | 96.7 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.9 | -37.3 | 177.6 | -68.2 | 172 | 0 | 0 | 0 | 111.5 | H59 Q65 L66 V67 | H59-L63 VanDerWaalsContact O-CB 3.28Å; H59-L63 WeakPolarHBondContact O-CB 3.29Å; H59-L63 VanDerWaalsContact O-CG 3.22Å; H59-L63 WeakPolarHBondContact O-CG 3.17Å; H59-L63 PolarHBondContact O-N 2.86Å; L63-Q65 VanDerWaalsContact C-N 3.35Å; L63-L66 HydrophobicContact CD2-CD1 4.4Å; L63-L66 PolarHBondContact O-N 3.05Å; L63-V67 WeakPolarHBondContact O-CB 3.39Å; L63-V67 VanDerWaalsContact O-CG2 3.28Å; L63-V67 WeakPolarHBondContact O-CG2 3.43Å; L63-V67 PolarHBondContact O-N 2.82Å |
| 64 | G | 80.1 | Confident | 76.2 | Confident | 40 Ų | 40 | 94.7 Ų | 94.7 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q60 L61 L62 V67 A68 | Q60-G64 WeakPolarHBondContact O-CA 3.01Å; Q60-G64 PolarHBondContact O-N 3.31Å; L61-G64 PolarHBondContact O-N 2.99Å; L62-G64 VanDerWaalsContact C-N 3.34Å; G64-V67 PolarHBondContact O-N 3.38Å; G64-A68 VanDerWaalsContact O-CB 3.27Å; G64-A68 WeakPolarHBondContact O-CB 3.27Å; G64-A68 PolarHBondContact O-N 3.02Å |
| 65 | Q | 79.3 | Confident | 74.6 | Confident | 100 Ų | 100 | 94.5 Ų | 94.5 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 174.1 | -75.9 | 177.3 | -25.9 | 0 | 0 | 111.5 | L61 L62 L63 V67 A68 D69 | L61-Q65 WeakPolarHBondContact O-CB 3.44Å; L61-Q65 WeakPolarHBondContact O-CG 3.22Å; L61-Q65 PolarHBondContact O-N 2.75Å; L62-Q65 PolarHBondContact O-N 3.05Å; L63-Q65 VanDerWaalsContact C-N 3.35Å; Q65-V67 VanDerWaalsContact C-N 3.29Å; Q65-V67 PolarHBondContact O-N 2.87Å; Q65-A68 PolarHBondContact O-N 3.46Å; Q65-A68 VanDerWaalsContact O-N 3.13Å; Q65-D69 WeakPolarHBondContact O-CB 3.2Å; Q65-D69 PolarHBondContact O-N 3.11Å |
| 66 | L | 79.3 | Confident | 73.3 | Confident | 98 Ų | 98 | 99.6 Ų | 99.6 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.9 | -39.1 | 177.7 | -70.1 | 169.7 | 0 | 0 | 0 | 112.8 | L62 L63 A70 | L62-L66 HydrophobicContact CG-CD1 4.43Å; L62-L66 VanDerWaalsContact O-CG 3.32Å; L62-L66 WeakPolarHBondContact O-CG 3.27Å; L62-L66 PolarHBondContact O-N 2.98Å; L63-L66 HydrophobicContact CD2-CD1 4.4Å; L63-L66 PolarHBondContact O-N 3.05Å; L66-A70 WeakPolarHBondContact O-CB 3.28Å; L66-A70 PolarHBondContact O-N 3.06Å |
| 67 | V | 81.1 | Confident | 71.5 | Confident | 81 Ų | 81 | 109 Ų | 109 | 49% | 0.491 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.7 | -40.9 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L63 G64 Q65 A70 L71 | L63-V67 WeakPolarHBondContact O-CB 3.39Å; L63-V67 VanDerWaalsContact O-CG2 3.28Å; L63-V67 WeakPolarHBondContact O-CG2 3.43Å; L63-V67 PolarHBondContact O-N 2.82Å; G64-V67 PolarHBondContact O-N 3.38Å; Q65-V67 VanDerWaalsContact C-N 3.29Å; Q65-V67 PolarHBondContact O-N 2.87Å; V67-A70 PolarHBondContact O-N 3.17Å; V67-L71 HydrophobicContact CG1-CD1 3.6Å; V67-L71 HydrophobicContact CG1-CG 4.13Å; V67-L71 WeakPolarHBondContact O-CB 3.33Å; V67-L71 VanDerWaalsContact O-CG 3.22Å; V67-L71 WeakPolarHBondContact O-CG 3.47Å; V67-L71 PolarHBondContact O-N 3.09Å |
| 68 | A | 74.1 | Confident | 69.5 | Low | 52 Ų | 52 | 109.2 Ų | 109.2 | 43% | 0.43 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.7 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G64 Q65 A70 L71 N72 | G64-A68 VanDerWaalsContact O-CB 3.27Å; G64-A68 WeakPolarHBondContact O-CB 3.27Å; G64-A68 PolarHBondContact O-N 3.02Å; Q65-A68 PolarHBondContact O-N 3.46Å; Q65-A68 VanDerWaalsContact O-N 3.13Å; A68-A70 VanDerWaalsContact C-N 3.33Å; A68-A70 PolarHBondContact O-N 3.32Å; A68-L71 PolarHBondContact O-N 3.49Å; A68-N72 WeakPolarHBondContact O-CB 3.43Å; A68-N72 PolarHBondContact O-N 2.93Å |
| 69 | D | 69.1 | Low | 67.9 | Low | 110 Ų | 110 | 108.2 Ų | 108.2 | 59% | 0.588 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.9 | -34.5 | 176.1 | -67.1 | -20.5 | 0 | 0 | 0 | 111.9 | Q65 N72 | Q65-D69 WeakPolarHBondContact O-CB 3.2Å; Q65-D69 PolarHBondContact O-N 3.11Å; D69-N72 CarbonylContact O-C 3.36Å |
| 70 | A | 69.4 | Low | 66.2 | Low | 79 Ų | 79 | 109.5 Ų | 109.5 | 65% | 0.653 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76.1 | -35.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L66 V67 A68 | L66-A70 WeakPolarHBondContact O-CB 3.28Å; L66-A70 PolarHBondContact O-N 3.06Å; V67-A70 PolarHBondContact O-N 3.17Å; A68-A70 VanDerWaalsContact C-N 3.33Å; A68-A70 PolarHBondContact O-N 3.32Å |
| 71 | L | 72.1 | Confident | 64.3 | Low | 143 Ų | 143 | 108.6 Ų | 108.6 | 75% | 0.749 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -83.3 | -22.3 | 179.9 | -67.8 | 177.5 | 0 | 0 | 0 | 112.7 | V67 A68 | V67-L71 HydrophobicContact CG1-CD1 3.6Å; V67-L71 HydrophobicContact CG1-CG 4.13Å; V67-L71 WeakPolarHBondContact O-CB 3.33Å; V67-L71 VanDerWaalsContact O-CG 3.22Å; V67-L71 WeakPolarHBondContact O-CG 3.47Å; V67-L71 PolarHBondContact O-N 3.09Å; A68-L71 PolarHBondContact O-N 3.49Å |
| 72 | N | 55.7 | Low | 62.2 | Low | 117 Ų | 117 | 109.8 Ų | 109.8 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | trans | -131.8 | 86.2 | 174.6 | -156.4 | -16.8 | 0 | 0 | 0 | 107.3 | A68 D69 G74 | A68-N72 WeakPolarHBondContact O-CB 3.43Å; A68-N72 PolarHBondContact O-N 2.93Å; D69-N72 CarbonylContact O-C 3.36Å; N72-G74 PolarHBondContact O-N 2.76Å | ||
| 73 | P | 56.8 | Low | 59.9 | Low | 110 Ų | 110 | 112.7 Ų | 112.7 | 71% | 0.714 | 65% | 0.653 | S | S | * | * | trans | -64.9 | 81.3 | 162.7 | 29 | -32.4 | 0 | 0 | 0 | 106.5 | ||||
| 74 | G | 52.1 | Low | 57.8 | Low | 42 Ų | 42 | 113.7 Ų | 113.7 | 43% | 0.433 | 66% | 0.663 | S | S | . | * | trans | -57.1 | 146.2 | 177 | 0 | 0 | 0 | 0 | 0 | 108.7 | N72 E76 | N72-G74 PolarHBondContact O-N 2.76Å; G74-E76 PolarHBondContact O-N 2.83Å | ||
| 75 | P | 50.1 | Low | 55.7 | Low | 124 Ų | 124 | 118 Ų | 118 | 81% | 0.805 | 68% | 0.677 | S | S | * | * | trans | -52.5 | 128.6 | -174.2 | 22.6 | -31.8 | 0 | 0 | 0 | 108.8 | W77 | P75-W77 PolarHBondContact O-N 2.81Å; P75-W77 VanDerWaalsContact O-N 3.11Å | ||
| 76 | E | 50.3 | Low | 53.6 | Low | 188 Ų | 188 | 118.4 Ų | 118.4 | 88% | 0.879 | 69% | 0.691 | S | S | * | * | trans | -37.9 | 123.6 | 171.1 | -82.6 | 162.6 | 134.3 | 0 | 0 | 108.6 | G74 | G74-E76 PolarHBondContact O-N 2.83Š| ||
| 77 | W | 42 | Very low | 51.3 | Low | 242 Ų | 242 | 121.9 Ų | 121.9 | 92% | 0.917 | 70% | 0.704 | S | S | * | * | trans | -38.4 | 128.7 | 174.3 | -119.1 | -87 | 0 | 0 | 0 | 108.6 | P75 S79 | P75-W77 PolarHBondContact O-N 2.81Å; P75-W77 VanDerWaalsContact O-N 3.11Å; W77-S79 PolarHBondContact O-N 2.97Å | ||
| 78 | P | 43 | Very low | 49.1 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | trans | -57.9 | 110.8 | 174.5 | 22.1 | -29.6 | 0 | 0 | 0 | 106.8 | ||||
| 79 | S | 53.5 | Low | 47.2 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | -52.4 | 136.2 | 167.8 | 34 | 0 | 0 | 0 | 0 | 107.2 | W77 | W77-S79 PolarHBondContact O-N 2.97Š| ||
| 80 | P | 41.8 | Very low | 45.5 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | trans | -54 | 131.5 | 178.2 | 20.8 | -30.7 | 0 | 0 | 0 | 108.1 | V82 | P80-V82 PolarHBondContact O-N 2.94Š| ||
| 81 | P | 46.4 | Very low | 43.8 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | trans | -59.4 | 112.5 | -175.1 | 22.2 | -31.1 | 0 | 0 | 0 | 108.4 | H83 | P81-H83 PolarHBondContact O-N 3.07Š| ||
| 82 | V | 41.4 | Very low | 42.1 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | trans | -65.6 | 107.1 | 165.1 | 176.8 | 0 | 0 | 0 | 0 | 104.8 | P80 T84 | P80-V82 PolarHBondContact O-N 2.94Å; V82-T84 PolarHBondContact O-N 2.86Å | ||
| 83 | H | 35.5 | Very low | 41.3 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -54.3 | 107.4 | 171.2 | -126.6 | -93.2 | 0 | 0 | 0 | 107.6 | P81 D85 | P81-H83 PolarHBondContact O-N 3.07Å; H83-D85 IonicContact CE1-OD2 3.36Å; H83-D85 IonicContact CG-OD2 3.22Å; H83-D85 IonicContact ND1-OD2 3.36Å; H83-D85 PolarHBondContact ND1-OD2 3.47Å; H83-D85 PolarHBondContact O-N 2.84Å | ||
| 84 | T | 40.8 | Very low | 40.4 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -76.3 | 82.1 | 167.3 | -20.8 | 0 | 0 | 0 | 0 | 107.1 | V82 | V82-T84 PolarHBondContact O-N 2.86Š| ||
| 85 | D | 35.1 | Very low | 39.8 | Very low | 131 Ų | 131 | 151.4 Ų | 151.4 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -99.6 | 99.3 | 159 | -83.2 | -52.5 | 0 | 0 | 0 | 108 | H83 H87 | H83-D85 IonicContact CE1-OD2 3.36Å; H83-D85 IonicContact CG-OD2 3.22Å; H83-D85 IonicContact ND1-OD2 3.36Å; H83-D85 PolarHBondContact ND1-OD2 3.47Å; H83-D85 PolarHBondContact O-N 2.84Å; D85-H87 PolarHBondContact O-N 3.33Å | ||
| 86 | S | 36.4 | Very low | 39.1 | Very low | 109 Ų | 109 | 154.6 Ų | 154.6 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -70.6 | 104.2 | 166.5 | -48.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 87 | H | 30.1 | Very low | 38.6 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -145.4 | 102.5 | 150.8 | -160.7 | -84.7 | 0 | 0 | 0 | 110.6 | D85 | D85-H87 PolarHBondContact O-N 3.33Š| ||
| 88 | E | 35.9 | Very low | 38.8 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -17.5 | 144.7 | 155.1 | -61.9 | -178.1 | 148 | 0 | 0 | 117.7 | ||||
| 89 | E | 34.6 | Very low | 39 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 71% | 0.71 | 78% | 0.784 | S | S | * | * | trans | 91.8 | 121.5 | 141.6 | -78.8 | -175.4 | 132.3 | 0 | 0 | 121.6 | ||||
| 90 | Q | 32.8 | Very low | 38.9 | Very low | 140 Ų | 140 | 155.7 Ų | 155.7 | 65% | 0.654 | 79% | 0.787 | S | S | * | * | trans | 75 | 103.7 | 138.8 | -64 | 169.6 | 30.6 | 0 | 0 | 117.4 | ||||
| 91 | M | 32.6 | Very low | 39.6 | Very low | 175 Ų | 175 | 158.4 Ų | 158.4 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | 177.9 | 120.7 | 99.4 | -88.3 | 165.5 | -137.8 | 0 | 0 | 109.5 | |||||
| 92 | E | 38.2 | Very low | 40.4 | Very low | 190 Ų | 190 | 158 Ų | 158 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -63.9 | 147.2 | 160.4 | -101.4 | 168.1 | 152 | 0 | 0 | 110.2 | ||||
| 93 | E | 38.4 | Very low | 41.7 | Very low | 189 Ų | 189 | 157.4 Ų | 157.4 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 72.6 | 102.4 | 148.1 | -153.1 | 172.6 | -146.1 | 0 | 0 | 118.2 | ||||
| 94 | E | 36.8 | Very low | 43.5 | Very low | 194 Ų | 194 | 154.8 Ų | 154.8 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | -155.6 | 132 | 120.4 | -145.5 | 170.3 | 150.9 | 0 | 0 | 111.1 | |||||
| 95 | M | 40.3 | Very low | 44.9 | Very low | 162 Ų | 162 | 156.8 Ų | 156.8 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | -75 | 118.7 | 176.6 | -177.1 | -175.4 | -154.5 | 0 | 0 | 109.2 | ||||
| 96 | E | 34.8 | Very low | 46.5 | Very low | 191 Ų | 191 | 157.5 Ų | 157.5 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -142.4 | 119.6 | 154.4 | -123.7 | -178.1 | -177.9 | 0 | 0 | 111 | Q98 | E96-Q98 VanDerWaalsContact C-N 3.32Å; E96-Q98 PolarHBondContact O-N 3.46Å | ||
| 97 | M | 41.1 | Very low | 47.9 | Very low | 165 Ų | 165 | 159.1 Ų | 159.1 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -62.9 | 90.1 | 171.9 | -77.2 | 171.8 | -99.8 | 0 | 0 | 109.1 | E99 | M97-E99 PolarHBondContact O-N 3.44Š| ||
| 98 | Q | 45.7 | Very low | 49.4 | Very low | 157 Ų | 157 | 159.3 Ų | 159.3 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -84.8 | 106.8 | 162.4 | -151.9 | 170 | 26.9 | 0 | 0 | 106.5 | E96 Q100 | E96-Q98 VanDerWaalsContact C-N 3.32Å; E96-Q98 PolarHBondContact O-N 3.46Å; Q98-Q100 VanDerWaalsContact O-CD 3.24Å; Q98-Q100 PolarHBondContact O-N 2.92Å; Q98-Q100 PolarHBondContact O-NE2 3.46Å | ||
| 99 | E | 47 | Very low | 50.5 | Low | 187 Ų | 187 | 162.1 Ų | 162.1 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -56.4 | 105.3 | 165.5 | -66 | -176.5 | 141.4 | 0 | 0 | 106.7 | M97 E101 | M97-E99 PolarHBondContact O-N 3.44Å; E99-E101 VanDerWaalsContact C-N 3.29Å; E99-E101 PolarHBondContact O-N 2.85Å | ||
| 100 | Q | 51.1 | Low | 51.8 | Low | 162 Ų | 162 | 162.4 Ų | 162.4 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | -67.5 | 96.2 | 173.1 | -79.4 | 82.9 | 53.3 | 0 | 0 | 107.5 | Q98 | Q98-Q100 VanDerWaalsContact O-CD 3.24Å; Q98-Q100 PolarHBondContact O-N 2.92Å; Q98-Q100 PolarHBondContact O-NE2 3.46Å | ||
| 101 | E | 55.7 | Low | 53.1 | Low | 166 Ų | 166 | 161.5 Ų | 161.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -43 | 138.5 | 162 | -173.5 | 179.1 | 154.5 | 0 | 0 | 108.9 | E99 L103 | E99-E101 VanDerWaalsContact C-N 3.29Å; E99-E101 PolarHBondContact O-N 2.85Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 3.4Å | ||
| 102 | P | 64.1 | Low | 53.7 | Low | 114 Ų | 114 | 158.3 Ų | 158.3 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | trans | -59.2 | 97.3 | -178.3 | -20.5 | 31.4 | 0 | 0 | 0 | 109.9 | V104 | P102-V104 PolarHBondContact O-N 3.32Š| ||
| 103 | L | 68.9 | Low | 54.4 | Low | 121 Ų | 121 | 154.4 Ų | 154.4 | 63% | 0.634 | 77% | 0.766 | S | S | * | * | trans | -72.6 | 97.3 | -177.3 | -167.2 | 58 | 0 | 0 | 0 | 107.6 | E101 Y105 | E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 3.4Å; L103-Y105 HydrophobicContact CB-CE2 3.99Å; L103-Y105 HydrophobicContact CD2-CE1 4.07Å; L103-Y105 HydrophobicContact CD2-CE2 3.71Å; L103-Y105 WeakPolarHBondContact CD2-OH 3.3Å; L103-Y105 HydrophobicContact CG-CD2 4.3Å; L103-Y105 HydrophobicContact CG-CE1 4.3Å; L103-Y105 HydrophobicContact CG-CE2 3.72Å; L103-Y105 VanDerWaalsContact O-CD2 3.23Å; L103-Y105 WeakPolarHBondContact O-CD2 3.19Å; L103-Y105 PolarHBondContact O-N 3.47Å; L103-Y105 VanDerWaalsContact O-N 3.12Å | ||
| 104 | V | 73.9 | Confident | 55.3 | Low | 101 Ų | 101 | 152 Ų | 152 | 61% | 0.612 | 76% | 0.763 | S | S | * | * | trans | -77.1 | 99.5 | 179.1 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | P102 H106 | P102-V104 PolarHBondContact O-N 3.32Å; V104-H106 PolarHBondContact O-N 2.82Å | ||
| 105 | Y | 69.4 | Low | 55.8 | Low | 165 Ų | 165 | 147.9 Ų | 147.9 | 65% | 0.647 | 75% | 0.752 | S | S | * | * | trans | -77 | 112.6 | 172.5 | -68.3 | -84.5 | 0 | 0 | 0 | 110.2 | L103 H107 | L103-Y105 HydrophobicContact CB-CE2 3.99Å; L103-Y105 HydrophobicContact CD2-CE1 4.07Å; L103-Y105 HydrophobicContact CD2-CE2 3.71Å; L103-Y105 WeakPolarHBondContact CD2-OH 3.3Å; L103-Y105 HydrophobicContact CG-CD2 4.3Å; L103-Y105 HydrophobicContact CG-CE1 4.3Å; L103-Y105 HydrophobicContact CG-CE2 3.72Å; L103-Y105 VanDerWaalsContact O-CD2 3.23Å; L103-Y105 WeakPolarHBondContact O-CD2 3.19Å; L103-Y105 PolarHBondContact O-N 3.47Å; L103-Y105 VanDerWaalsContact O-N 3.12Å; Y105-H107 PolarHBondContact O-N 3.41Å | ||
| 106 | H | 69.1 | Low | 56.3 | Low | 146 Ų | 146 | 146.1 Ų | 146.1 | 68% | 0.676 | 75% | 0.752 | S | S | * | * | trans | -85.8 | 101.1 | 169.8 | -63.9 | -68.9 | 0 | 0 | 0 | 109.3 | V104 H108 | V104-H106 PolarHBondContact O-N 2.82Å; H106-H108 PolarHBondContact O-N 2.97Å | ||
| 107 | H | 64.9 | Low | 56.9 | Low | 143 Ų | 143 | 143 Ų | 143 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | trans | -71.9 | 97.1 | 174.8 | -61.1 | -67.2 | 0 | 0 | 0 | 110.1 | Y105 Y109 | Y105-H107 PolarHBondContact O-N 3.41Å; H107-Y109 PolarHBondContact O-N 3.48Å | ||
| 108 | H | 62.2 | Low | 57.6 | Low | 175 Ų | 175 | 137.4 Ų | 137.4 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | trans | -76.3 | 108 | 166.1 | -77.3 | -49.9 | 0 | 0 | 0 | 109.5 | H106 L110 | H106-H108 PolarHBondContact O-N 2.97Å; H108-L110 PolarHBondContact O-N 3.43Å | ||
| 109 | Y | 59.6 | Low | 57.9 | Low | 210 Ų | 210 | 136.5 Ų | 136.5 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 126.9 | 170.3 | -65.3 | -80.8 | 0 | 0 | 0 | 109.7 | H107 | H107-Y109 PolarHBondContact O-N 3.48Š|
| 110 | L | 61.8 | Low | 57.7 | Low | 158 Ų | 158 | 134.4 Ų | 134.4 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 139 | 166 | -94.2 | 73.9 | 0 | 0 | 0 | 109.1 | H108 C112 | H108-L110 PolarHBondContact O-N 3.43Å; L110-C112 PolarHBondContact O-N 2.91Å |
| 111 | P | 59.1 | Low | 57.5 | Low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 126.8 | 169.6 | -15.4 | 27.7 | 0 | 0 | 0 | 109 | ||
| 112 | C | 45.7 | Very low | 57.1 | Low | 108 Ų | 108 | 132.8 Ų | 132.8 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 128.2 | 177.2 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | L110 V114 | L110-C112 PolarHBondContact O-N 2.91Å; C112-V114 PolarHBondContact O-N 3.31Å |
| 113 | P | 52.7 | Low | 55.7 | Low | 108 Ų | 108 | 138.3 Ų | 138.3 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -65.9 | 106.6 | 174.2 | 26 | -31 | 0 | 0 | 0 | 108.5 | T115 | P113-T115 PolarHBondContact O-N 2.94Š| ||
| 114 | V | 57.4 | Low | 54.8 | Low | 137 Ų | 137 | 137.6 Ų | 137.6 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | trans | -63.3 | 101.6 | 172 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | C112 | C112-V114 PolarHBondContact O-N 3.31Š| ||
| 115 | T | 47.2 | Very low | 53.3 | Low | 109 Ų | 109 | 136.4 Ų | 136.4 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | trans | -73.1 | 125 | 168.7 | -45.8 | 0 | 0 | 0 | 0 | 106.3 | P113 L117 | P113-T115 PolarHBondContact O-N 2.94Å; T115-L117 VanDerWaalsContact C-N 3.25Å; T115-L117 PolarHBondContact O-N 3.37Å | ||
| 116 | P | 51.6 | Low | 52.3 | Low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | trans | -71.7 | 88.9 | 177.6 | 28 | -30.5 | 0 | 0 | 0 | 108.1 | G118 | P116-G118 PolarHBondContact O-N 2.86Š| ||
| 117 | L | 46.5 | Very low | 51.4 | Low | 125 Ų | 125 | 136 Ų | 136 | 65% | 0.654 | 76% | 0.759 | S | S | * | * | trans | -69.6 | 114.3 | 171.3 | -154.5 | 59.6 | 0 | 0 | 0 | 106.3 | T115 M120 | T115-L117 VanDerWaalsContact C-N 3.25Å; T115-L117 PolarHBondContact O-N 3.37Å; L117-M120 HydrophobicContact CD2-CE 3.76Å; L117-M120 HydrophobicContact CD2-CG 4.4Å; L117-M120 HydrophobicContact CD2-SD 3.31Å; L117-M120 WeakPolarHBondContact CD2-SD 3.46Å; L117-M120 HydrophobicContact CG-CE 4.24Å; L117-M120 HydrophobicContact CG-CG 4.47Å; L117-M120 HydrophobicContact CG-SD 3.95Å | ||
| 118 | G | 56.1 | Low | 50.7 | Low | 48 Ų | 48 | 136.2 Ų | 136.2 | 50% | 0.495 | 76% | 0.764 | S | S | . | * | trans | -51.4 | 168.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P116 M120 | P116-G118 PolarHBondContact O-N 2.86Å; G118-M120 VanDerWaalsContact C-N 3.31Å; G118-M120 PolarHBondContact O-N 2.92Å | ||
| 119 | P | 51.2 | Low | 49.9 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 90% | 0.903 | 76% | 0.763 | S | S | * | * | trans | -58.7 | 87.2 | -154.5 | 27.3 | -35.7 | 0 | 0 | 0 | 112.4 | ||||
| 120 | M | 43.4 | Very low | 49.4 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | trans | -79.2 | 121.4 | 166.8 | -85.1 | -172.4 | 166.3 | 0 | 0 | 106.5 | L117 G118 L122 | L117-M120 HydrophobicContact CD2-CE 3.76Å; L117-M120 HydrophobicContact CD2-CG 4.4Å; L117-M120 HydrophobicContact CD2-SD 3.31Å; L117-M120 WeakPolarHBondContact CD2-SD 3.46Å; L117-M120 HydrophobicContact CG-CE 4.24Å; L117-M120 HydrophobicContact CG-CG 4.47Å; L117-M120 HydrophobicContact CG-SD 3.95Å; G118-M120 VanDerWaalsContact C-N 3.31Å; G118-M120 PolarHBondContact O-N 2.92Å; M120-L122 PolarHBondContact O-N 3.23Å; M120-L122 VanDerWaalsContact O-N 3.1Å | ||
| 121 | S | 46.7 | Very low | 49 | Very low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | -38.7 | 112.5 | 178.8 | -40.9 | 0 | 0 | 0 | 0 | 111.4 | W123 | S121-W123 PolarHBondContact O-N 2.84Š| ||
| 122 | L | 46.9 | Very low | 48.8 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | trans | -50.6 | 111 | 171.8 | -76.1 | 155.4 | 0 | 0 | 0 | 108.9 | M120 | M120-L122 PolarHBondContact O-N 3.23Å; M120-L122 VanDerWaalsContact O-N 3.1Å | ||
| 123 | W | 35.3 | Very low | 49 | Very low | 231 Ų | 231 | 130.1 Ų | 130.1 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | trans | -47.6 | 138.6 | 162.8 | -168.2 | -83.1 | 0 | 0 | 0 | 109 | S121 A125 | S121-W123 PolarHBondContact O-N 2.84Å; W123-A125 PolarHBondContact O-N 2.94Å; W123-A125 VanDerWaalsContact O-N 3.11Å | ||
| 124 | P | 49.2 | Very low | 49.2 | Very low | 105 Ų | 105 | 132 Ų | 132 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | trans | -61.9 | 124.6 | -172.8 | 24.6 | -32 | 0 | 0 | 0 | 109.6 | S126 | P124-S126 PolarHBondContact O-N 2.87Å; P124-S126 VanDerWaalsContact O-N 3.14Å | ||
| 125 | A | 43.7 | Very low | 49.3 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 63% | 0.628 | 75% | 0.748 | S | S | * | * | trans | -56.5 | 113.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110 | W123 F127 | W123-A125 PolarHBondContact O-N 2.94Å; W123-A125 VanDerWaalsContact O-N 3.11Å; A125-F127 WeakPolarHBondContact O-CD2 3.22Å; A125-F127 PolarHBondContact O-N 3.17Å | ||
| 126 | S | 48.1 | Very low | 49.2 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -66.5 | 104.9 | 159.1 | -67.4 | 0 | 0 | 0 | 0 | 107.2 | P124 L128 | P124-S126 PolarHBondContact O-N 2.87Å; P124-S126 VanDerWaalsContact O-N 3.14Å; S126-L128 PolarHBondContact O-N 3.12Å | ||
| 127 | F | 49.4 | Very low | 48.7 | Very low | 196 Ų | 196 | 136 Ų | 136 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -59.3 | 96.9 | 169.3 | -65.4 | -90.7 | 0 | 0 | 0 | 109.2 | A125 | A125-F127 WeakPolarHBondContact O-CD2 3.22Å; A125-F127 PolarHBondContact O-N 3.17Å | ||
| 128 | L | 50.2 | Low | 49 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -107.6 | 122.4 | 159.2 | -64.7 | 179.7 | 0 | 0 | 0 | 107 | S126 V130 | S126-L128 PolarHBondContact O-N 3.12Å; L128-V130 PolarHBondContact O-N 2.98Å | ||
| 129 | P | 46.7 | Very low | 48.2 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 123.4 | 169.2 | 24.6 | -29.9 | 0 | 0 | 0 | 108.8 | ||
| 130 | V | 49.4 | Very low | 47.9 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 123.6 | 165.1 | 168.7 | 0 | 0 | 0 | 0 | 107.7 | L128 | L128-V130 PolarHBondContact O-N 2.98Š|
| 131 | P | 52.9 | Low | 47.9 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 133.8 | 173.3 | 24.6 | -29.3 | 0 | 0 | 0 | 109 | H133 | P131-H133 PolarHBondContact O-N 3.02Š|
| 132 | P | 54.3 | Low | 48.1 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 131.9 | 176.7 | 26 | -31.4 | 0 | 0 | 0 | 109.5 | Q134 | P132-Q134 PolarHBondContact O-N 3.4Š|
| 133 | H | 49.4 | Very low | 48.1 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -35.7 | 126.5 | 176.4 | -56.4 | -83.7 | 0 | 0 | 0 | 113.3 | P131 | P131-H133 PolarHBondContact O-N 3.02Š| ||
| 134 | Q | 58.4 | Low | 48.8 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 139.7 | 169.6 | -67.2 | -168.7 | -0.1 | 0 | 0 | 110.4 | P132 | P132-Q134 PolarHBondContact O-N 3.4Š|
| 135 | P | 58.5 | Low | 48.6 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 165.1 | 174.1 | 29.4 | -32.1 | 0 | 0 | 0 | 112.3 | W137 | P135-W137 PolarHBondContact O-N 3.35Š|
| 136 | P | 46.3 | Very low | 49 | Very low | 118 Ų | 118 | 148.6 Ų | 148.6 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 126 | -172.7 | -15 | 28.6 | 0 | 0 | 0 | 111.4 | Q138 | P136-Q138 PolarHBondContact O-N 2.74Å; P136-Q138 VanDerWaalsContact O-N 3.12Å |
| 137 | W | 41.3 | Very low | 49.2 | Very low | 229 Ų | 229 | 148.9 Ų | 148.9 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -57.9 | 111 | 173.8 | -74.2 | 83.8 | 0 | 0 | 0 | 110.6 | P135 | P135-W137 PolarHBondContact O-N 3.35Š| ||
| 138 | Q | 51.1 | Low | 49.1 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -117.3 | 119.6 | 167.7 | -77.2 | -84.5 | 0.3 | 0 | 0 | 107.6 | P136 | P136-Q138 PolarHBondContact O-N 2.74Å; P136-Q138 VanDerWaalsContact O-N 3.12Å | ||
| 139 | G | 40.2 | Very low | 48.4 | Very low | 67 Ų | 67 | 143.4 Ų | 143.4 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 127.1 | 102.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 140 | E | 44.9 | Very low | 48.2 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -52.6 | 144.3 | 168.2 | -74.9 | 157.8 | 104.3 | 0 | 0 | 113.6 | ||||
| 141 | P | 43.5 | Very low | 47.6 | Very low | 112 Ų | 112 | 147 Ų | 147 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -97 | 104.3 | 140.7 | 30.4 | -18.3 | 0 | 0 | 0 | 107.7 | I143 | P141-I143 PolarHBondContact O-N 3.36Š| ||
| 142 | R | 50.6 | Low | 47.2 | Very low | 223 Ų | 223 | 150.9 Ų | 150.9 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -62.6 | 97.6 | 171.3 | -172.6 | 177.1 | -172.1 | 162.3 | 2.2 | 108.8 | Q144 | R142-Q144 PolarHBondContact O-N 3.47Å; R142-Q144 VanDerWaalsContact O-N 3.14Å | ||
| 143 | I | 47.8 | Very low | 46.7 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 64% | 0.641 | 78% | 0.782 | S | S | * | * | trans | -70.2 | 107.9 | 174 | -60.4 | 174.6 | 0 | 0 | 0 | 107.2 | P141 H145 | P141-I143 PolarHBondContact O-N 3.36Å; I143-H145 PolarHBondContact O-N 2.88Å | ||
| 144 | Q | 49.4 | Very low | 46.6 | Very low | 181 Ų | 181 | 152.2 Ų | 152.2 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -73.5 | 111.8 | 166.1 | -78 | -156.1 | 97 | 0 | 0 | 108.8 | R142 Q146 | R142-Q144 PolarHBondContact O-N 3.47Å; R142-Q144 VanDerWaalsContact O-N 3.14Å; Q144-Q146 PolarHBondContact O-N 2.99Å | ||
| 145 | H | 45.5 | Very low | 45.5 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | trans | -74 | 106.4 | 169.8 | -64.5 | -81.2 | 0 | 0 | 0 | 109.4 | I143 | I143-H145 PolarHBondContact O-N 2.88Š| ||
| 146 | Q | 52 | Low | 44.7 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 133.4 | 160.2 | -108.6 | -176.2 | -9.4 | 0 | 0 | 109 | Q144 | Q144-Q146 PolarHBondContact O-N 2.99Š|
| 147 | P | 51.8 | Low | 44.2 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 141.1 | 172.9 | 28.8 | -30.4 | 0 | 0 | 0 | 110.9 | A149 | P147-A149 PolarHBondContact O-N 2.84Š|
| 148 | P | 46.5 | Very low | 43.8 | Very low | 129 Ų | 129 | 150.2 Ų | 150.2 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 130.4 | 176.3 | 27.4 | -31.1 | 0 | 0 | 0 | 110.8 | ||
| 149 | A | 35.3 | Very low | 43.1 | Very low | 98 Ų | 98 | 152 Ų | 152 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 139 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P147 R151 | P147-A149 PolarHBondContact O-N 2.84Å; A149-R151 PolarHBondContact O-N 2.87Å |
| 150 | S | 43.6 | Very low | 42.8 | Very low | 121 Ų | 121 | 158.4 Ų | 158.4 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 125.6 | 172.6 | 54.8 | 0 | 0 | 0 | 0 | 111 | ||
| 151 | R | 36.3 | Very low | 42.3 | Very low | 197 Ų | 197 | 153.8 Ų | 153.8 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -132.7 | 101 | 157.7 | -163 | 167.7 | -176.5 | -94.5 | -12.9 | 107.8 | A149 E153 | A149-R151 PolarHBondContact O-N 2.87Å; R151-E153 IonicContact CZ-OE1 3.99Å; R151-E153 IonicContact CZ-OE2 3.94Å; R151-E153 IonicContact NH1-OE1 3.99Å; R151-E153 IonicContact NH1-OE2 2.74Å; R151-E153 PolarHBondContact NH1-OE2 3.49Å; R151-E153 IonicContact NH2-OE1 2.89Å; R151-E153 PolarHBondContact NH2-OE1 3.13Å; R151-E153 IonicContact NH2-OE2 3.62Å; R151-E153 PolarHBondContact NH2-OE2 2.89Å; R151-E153 PolarHBondContact O-N 3.42Å | ||
| 152 | Q | 45 | Very low | 42 | Very low | 188 Ų | 188 | 154.5 Ų | 154.5 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -60.3 | 122.9 | 161.5 | -85.1 | 175.5 | -33.1 | 0 | 0 | 107.9 | ||||
| 153 | E | 43.8 | Very low | 41 | Very low | 139 Ų | 139 | 152 Ų | 152 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | -143.7 | 87.1 | 149.4 | -115 | 164.8 | -175 | 0 | 0 | 106.6 | R151 | R151-E153 IonicContact CZ-OE1 3.99Å; R151-E153 IonicContact CZ-OE2 3.94Å; R151-E153 IonicContact NH1-OE1 3.99Å; R151-E153 IonicContact NH1-OE2 2.74Å; R151-E153 PolarHBondContact NH1-OE2 3.49Å; R151-E153 IonicContact NH2-OE1 2.89Å; R151-E153 PolarHBondContact NH2-OE1 3.13Å; R151-E153 IonicContact NH2-OE2 3.62Å; R151-E153 PolarHBondContact NH2-OE2 2.89Å; R151-E153 PolarHBondContact O-N 3.42Å | ||
| 154 | E | 46.8 | Very low | 40.7 | Very low | 185 Ų | 185 | 154.6 Ų | 154.6 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -50.8 | 123.8 | 153.9 | 175.2 | 175.9 | -168.1 | 0 | 0 | 108.9 | ||||
| 155 | T | 36.3 | Very low | 39.7 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -167.1 | 109.8 | 147.3 | 16.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 156 | T | 41.7 | Very low | 39.1 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 78.1 | 86.3 | 141.8 | -29.4 | 0 | 0 | 0 | 0 | 117.2 | M158 | T156-M158 PolarHBondContact O-N 2.93Š| ||
| 157 | M | 36 | Very low | 38.2 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -48.7 | 104.6 | 144.5 | -74.8 | -176.9 | 179.2 | 0 | 0 | 109.9 | R159 | M157-R159 VanDerWaalsContact C-N 3.31Å; M157-R159 PolarHBondContact O-N 3.3Å | ||
| 158 | M | 32.3 | Very low | 37.3 | Very low | 146 Ų | 146 | 152.3 Ų | 152.3 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | -89.5 | 77.6 | 158.5 | -161 | 73.8 | 171.7 | 0 | 0 | 108.1 | T156 R160 | T156-M158 PolarHBondContact O-N 2.93Å; M158-R160 VanDerWaalsContact C-N 3.25Å; M158-R160 PolarHBondContact O-N 3.32Å | ||
| 159 | R | 35.1 | Very low | 36.6 | Very low | 224 Ų | 224 | 152.8 Ų | 152.8 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -66.9 | 89.7 | 159.9 | 178.6 | -173.7 | -99.1 | 146.7 | -7.7 | 106.7 | M157 A161 | M157-R159 VanDerWaalsContact C-N 3.31Å; M157-R159 PolarHBondContact O-N 3.3Å; R159-A161 PolarHBondContact O-N 3.04Å | ||
| 160 | R | 35.7 | Very low | 36.4 | Very low | 200 Ų | 200 | 151.9 Ų | 151.9 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -81.6 | 97.6 | 166.6 | -168.1 | 175 | -82 | 176.3 | -4.6 | 107.6 | M158 C162 | M158-R160 VanDerWaalsContact C-N 3.25Å; M158-R160 PolarHBondContact O-N 3.32Å; R160-C162 PolarHBondContact O-N 3.37Å | ||
| 161 | A | 33.8 | Very low | 35.8 | Very low | 83 Ų | 83 | 153.2 Ų | 153.2 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | trans | -54.4 | 120.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | R159 H163 | R159-A161 PolarHBondContact O-N 3.04Å; A161-H163 PolarHBondContact O-N 3.43Å | ||
| 162 | C | 37.1 | Very low | 35.6 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -77.4 | 112.2 | 164 | -70.1 | 0 | 0 | 0 | 0 | 106.5 | R160 | R160-C162 PolarHBondContact O-N 3.37Š| ||
| 163 | H | 30.3 | Very low | 35 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | trans | -63.4 | 134.7 | 174.1 | -168.4 | 63.5 | 0 | 0 | 0 | 109.2 | A161 D165 | A161-H163 PolarHBondContact O-N 3.43Å; H163-D165 PolarHBondContact O-N 2.95Å | ||
| 164 | E | 39.7 | Very low | 34.4 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -70.8 | 108.1 | 178.9 | -151 | 149.5 | 110.5 | 0 | 0 | 108.8 | ||||
| 165 | D | 29.2 | Very low | 33.6 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 65% | 0.652 | 77% | 0.772 | S | S | * | * | trans | -145.6 | 102.8 | 162.3 | -119.6 | -24.8 | 0 | 0 | 0 | 111.1 | H163 | H163-D165 PolarHBondContact O-N 2.95Š| ||
| 166 | R | 33.9 | Very low | 33.5 | Very low | 228 Ų | 228 | 142.4 Ų | 142.4 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | 37.1 | 87.8 | 161.6 | -74.3 | 177.8 | -127.6 | -138.2 | -4.5 | 117.9 | ||||
| 167 | C | 32.3 | Very low | 33 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 89% | 0.892 | 78% | 0.775 | S | S | * | * | trans | -78.1 | 118.7 | 148.4 | -77.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 168 | T | 33.4 | Very low | 32.8 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | -68.5 | 143.5 | 158 | 32.8 | 0 | 0 | 0 | 0 | 109.1 | G170 | T168-G170 PolarHBondContact O-N 3.49Å; T168-G170 VanDerWaalsContact O-N 3.16Å | ||
| 169 | P | 31.3 | Very low | 33 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 111.2 | -177.3 | 29.3 | -30.5 | 0 | 0 | 0 | 108.9 | ||
| 170 | G | 30.4 | Very low | 32.8 | Very low | 78 Ų | 78 | 135.1 Ų | 135.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.4 | -11.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 118 | T168 | T168-G170 PolarHBondContact O-N 3.49Å; T168-G170 VanDerWaalsContact O-N 3.16Å |
| 171 | L | 32 | Very low | 32.9 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -115.4 | 109.7 | -178.7 | -98.6 | 147.6 | 0 | 0 | 0 | 110.9 | T173 | L171-T173 PolarHBondContact O-N 2.94Š| ||
| 172 | V | 31.9 | Very low | 33.1 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | -81.1 | 95.3 | 170 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | F174 | V172-F174 HydrophobicContact CB-CE2 4.37Å; V172-F174 HydrophobicContact CG1-CD2 3.69Å; V172-F174 HydrophobicContact CG1-CE2 3.32Å; V172-F174 HydrophobicContact CG1-CZ 4.04Å; V172-F174 PolarHBondContact O-N 3.47Å | ||
| 173 | T | 31.6 | Very low | 33 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | -76.7 | 107.5 | 173.7 | -56.5 | 0 | 0 | 0 | 0 | 109.4 | L171 | L171-T173 PolarHBondContact O-N 2.94Š| ||
| 174 | F | 32.4 | Very low | 33.2 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | trans | -90.9 | 101.2 | 168.8 | -83.3 | -83.2 | 0 | 0 | 0 | 109.8 | V172 T176 | V172-F174 HydrophobicContact CB-CE2 4.37Å; V172-F174 HydrophobicContact CG1-CD2 3.69Å; V172-F174 HydrophobicContact CG1-CE2 3.32Å; V172-F174 HydrophobicContact CG1-CZ 4.04Å; V172-F174 PolarHBondContact O-N 3.47Å; F174-T176 PolarHBondContact O-N 3.36Å | ||
| 175 | C | 29.8 | Very low | 33 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -84.7 | 93.7 | 168.2 | -68.8 | 0 | 0 | 0 | 0 | 109.3 | V177 | C175-V177 PolarHBondContact O-N 3Š| ||
| 176 | T | 33.6 | Very low | 33 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | trans | -82.8 | 104.5 | 164.7 | -57.6 | 0 | 0 | 0 | 0 | 108.3 | F174 M178 | F174-T176 PolarHBondContact O-N 3.36Å; T176-M178 PolarHBondContact O-N 2.81Å; T176-M178 VanDerWaalsContact O-N 3.16Å | ||
| 177 | V | 31.3 | Very low | 32.9 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -67.5 | 109.1 | 167.1 | 176.7 | 0 | 0 | 0 | 0 | 107.2 | C175 | C175-V177 PolarHBondContact O-N 3Š| ||
| 178 | M | 31.5 | Very low | 32.7 | Very low | 137 Ų | 137 | 122.3 Ų | 122.3 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 137.3 | 174.7 | -72.7 | -71.7 | -74.5 | 0 | 0 | 110 | T176 | T176-M178 PolarHBondContact O-N 2.81Å; T176-M178 VanDerWaalsContact O-N 3.16Å |
| 179 | P | 35.9 | Very low | 32.4 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 149.2 | 174.5 | -3.9 | 19.6 | 0 | 0 | 0 | 111.2 | ||
| 180 | N | 32.1 | Very low | 32.7 | Very low | 136 Ų | 136 | 125.2 Ų | 125.2 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 138 | -179.8 | -148.8 | -41.7 | 0 | 0 | 0 | 113.1 | G182 | N180-G182 VanDerWaalsContact C-N 3.26Å; N180-G182 PolarHBondContact O-N 3.48Å |
| 181 | P | 36.8 | Very low | 32.7 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 78.8 | 177.2 | 31.3 | -37.2 | 0 | 0 | 0 | 110.9 | ||
| 182 | G | 39.4 | Very low | 32.6 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -177.8 | -6.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N180 | N180-G182 VanDerWaalsContact C-N 3.26Å; N180-G182 PolarHBondContact O-N 3.48Å |
| 183 | A | 35.2 | Very low | 32.7 | Very low | 68 Ų | 68 | 130 Ų | 130 | 56% | 0.562 | 74% | 0.742 | S | S | * | * | trans | -87.6 | 119.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L185 | A183-L185 PolarHBondContact O-N 2.85Š| ||
| 184 | T | 34.3 | Very low | 33.3 | Very low | 141 Ų | 141 | 132 Ų | 132 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | trans | -56.7 | 108 | 167.5 | -45.2 | 0 | 0 | 0 | 0 | 109.1 | H186 | T184-H186 PolarHBondContact O-N 3.43Å; T184-H186 VanDerWaalsContact O-N 3.09Å | ||
| 185 | L | 34.1 | Very low | 33.3 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | -72.9 | 100.2 | 179 | -73 | 167.8 | 0 | 0 | 0 | 109.7 | A183 | A183-L185 PolarHBondContact O-N 2.85Š| ||
| 186 | H | 29.6 | Very low | 33.6 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -69.9 | 132 | 155.6 | -128.8 | -97.7 | 0 | 0 | 0 | 107.6 | T184 C188 | T184-H186 PolarHBondContact O-N 3.43Å; T184-H186 VanDerWaalsContact O-N 3.09Å; H186-C188 VanDerWaalsContact C-N 3.32Å; H186-C188 PolarHBondContact O-N 3.35Å | ||
| 187 | P | 31.9 | Very low | 33.9 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -75.3 | 87.4 | 179.7 | 30.6 | -31.8 | 0 | 0 | 0 | 109.1 | W189 | P187-W189 PolarHBondContact O-N 2.94Å; P187-W189 VanDerWaalsContact O-N 3.17Å | ||
| 188 | C | 27.4 | Very low | 34.3 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | -77.3 | 93.3 | 161.9 | -92 | 0 | 0 | 0 | 0 | 108 | H186 P190 | H186-C188 VanDerWaalsContact C-N 3.32Å; H186-C188 PolarHBondContact O-N 3.35Å; C188-P190 WeakPolarHBondContact O-CD 3.42Å | ||
| 189 | W | 27.6 | Very low | 35 | Very low | 222 Ų | 222 | 134.5 Ų | 134.5 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | trans | -65.5 | 120.8 | 165 | -153 | -63.9 | 0 | 0 | 0 | 107.6 | P187 F191 | P187-W189 PolarHBondContact O-N 2.94Å; P187-W189 VanDerWaalsContact O-N 3.17Å; W189-F191 PolarHBondContact O-N 3.04Å | ||
| 190 | P | 37.5 | Very low | 35.3 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 62% | 0.623 | 75% | 0.746 | S | S | * | * | trans | -69.2 | 118.9 | 170.6 | 27.8 | -29.1 | 0 | 0 | 0 | 107.2 | C188 L192 | C188-P190 WeakPolarHBondContact O-CD 3.42Å; P190-L192 PolarHBondContact O-N 3.49Å | ||
| 191 | F | 30.8 | Very low | 35.8 | Very low | 209 Ų | 209 | 131.7 Ų | 131.7 | 92% | 0.917 | 73% | 0.734 | S | S | * | * | trans | -41.1 | 110.7 | 163.3 | -111.7 | -103.7 | 0 | 0 | 0 | 108.9 | W189 P193 | W189-F191 PolarHBondContact O-N 3.04Å; F191-P193 VanDerWaalsContact O-CD 3.3Å; F191-P193 WeakPolarHBondContact O-CD 3.34Å | ||
| 192 | L | 31 | Very low | 36.3 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | -78.6 | 114.6 | 166.8 | -104.7 | 76.5 | 0 | 0 | 0 | 106.5 | P190 T194 | P190-L192 PolarHBondContact O-N 3.49Å; L192-T194 PolarHBondContact O-N 3.34Å | ||
| 193 | P | 33.4 | Very low | 37 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 60% | 0.597 | 71% | 0.71 | S | S | * | * | trans | -66.8 | 135.9 | 163.5 | 29.5 | -29.5 | 0 | 0 | 0 | 107.4 | F191 L195 | F191-P193 VanDerWaalsContact O-CD 3.3Å; F191-P193 WeakPolarHBondContact O-CD 3.34Å; P193-L195 HydrophobicContact CG-CD1 4.44Å; P193-L195 PolarHBondContact O-N 3.37Å | ||
| 194 | T | 42.8 | Very low | 37.6 | Very low | 151 Ų | 151 | 137 Ų | 137 | 93% | 0.926 | 71% | 0.714 | S | S | * | * | trans | -32.2 | 98.7 | 170.2 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | L192 | L192-T194 PolarHBondContact O-N 3.34Š| ||
| 195 | L | 33.1 | Very low | 38.5 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | trans | -125.9 | 120.5 | 175.7 | -85.9 | 161.1 | 0 | 0 | 0 | 108 | P193 | P193-L195 HydrophobicContact CG-CD1 4.44Å; P193-L195 PolarHBondContact O-N 3.37Å | ||
| 196 | R | 36.9 | Very low | 39.4 | Very low | 233 Ų | 233 | 130.1 Ų | 130.1 | 88% | 0.879 | 68% | 0.676 | S | S | * | * | trans | -39.5 | 146.8 | 167.9 | -71.4 | -172.5 | -166.8 | 176.1 | 3.7 | 110.4 | Q198 | R196-Q198 VanDerWaalsContact C-N 3.33Å; R196-Q198 PolarHBondContact O-N 3.47Å | ||
| 197 | P | 40.1 | Very low | 40.9 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 76% | 0.76 | 66% | 0.661 | S | S | * | * | trans | -67.3 | 94.1 | -179.7 | 28.8 | -32.5 | 0 | 0 | 0 | 109.3 | ||||
| 198 | Q | 39.7 | Very low | 42.1 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 55% | 0.547 | 65% | 0.647 | S | S | . | * | trans | -80.9 | 136.5 | 166.4 | -127.4 | -121.7 | 6.8 | 0 | 0 | 106.9 | R196 Q200 A201 | R196-Q198 VanDerWaalsContact C-N 3.33Å; R196-Q198 PolarHBondContact O-N 3.47Å; Q198-Q200 PolarHBondContact O-N 2.89Å; Q198-A201 WeakPolarHBondContact O-CB 3.45Å; Q198-A201 PolarHBondContact O-N 3.12Å | ||
| 199 | P | 45.3 | Very low | 43.7 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 58% | 0.578 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -58.2 | -22.3 | -174 | 21.1 | -32.4 | 0 | 0 | 0 | 113.3 | A201 L202 I203 | P199-A201 VanDerWaalsContact C-N 3.33Å; P199-A201 PolarHBondContact O-N 3.36Å; P199-L202 PolarHBondContact O-N 3.22Å; P199-I203 WeakPolarHBondContact O-CG1 3.28Å; P199-I203 PolarHBondContact O-N 3.42Å |
| 200 | Q | 41.4 | Very low | 45.5 | Very low | 118 Ų | 118 | 115.4 Ų | 115.4 | 55% | 0.551 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.5 | -28.4 | 174.5 | -59.3 | -161.3 | 11.5 | 0 | 0 | 113.7 | Q198 R204 | Q198-Q200 PolarHBondContact O-N 2.89Å; Q200-R204 WeakPolarHBondContact O-CG 3.27Å; Q200-R204 PolarHBondContact O-N 3.42Å; Q200-R204 VanDerWaalsContact O-N 3.09Å |
| 201 | A | 44.3 | Very low | 46.5 | Very low | 57 Ų | 57 | 114.3 Ų | 114.3 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.5 | -35.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q198 P199 R204 L205 | Q198-A201 WeakPolarHBondContact O-CB 3.45Å; Q198-A201 PolarHBondContact O-N 3.12Å; P199-A201 VanDerWaalsContact C-N 3.33Å; P199-A201 PolarHBondContact O-N 3.36Å; A201-R204 PolarHBondContact O-N 3.18Å; A201-L205 WeakPolarHBondContact O-CB 3.46Å; A201-L205 PolarHBondContact O-N 2.69Å |
| 202 | L | 47.3 | Very low | 48.1 | Very low | 113 Ų | 113 | 110.9 Ų | 110.9 | 59% | 0.592 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.8 | -39.1 | 175.7 | -74.9 | 165.5 | 0 | 0 | 0 | 111.9 | P199 L205 S206 | P199-L202 PolarHBondContact O-N 3.22Å; L202-L205 PolarHBondContact O-N 2.89Å; L202-S206 WeakPolarHBondContact O-CB 3.31Å; L202-S206 PolarHBondContact O-N 2.96Å; L202-S206 PolarHBondContact O-OG 3.16Å |
| 203 | I | 53.2 | Low | 49.2 | Very low | 105 Ų | 105 | 108.2 Ų | 108.2 | 54% | 0.538 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.1 | -39.9 | 175.1 | -63.4 | 167.4 | 0 | 0 | 0 | 110.9 | P199 S206 T207 | P199-I203 WeakPolarHBondContact O-CG1 3.28Å; P199-I203 PolarHBondContact O-N 3.42Å; I203-S206 PolarHBondContact O-N 3.09Å; I203-S206 PolarHBondContact O-OG 3.11Å; I203-T207 WeakPolarHBondContact O-CB 3.33Å; I203-T207 PolarHBondContact O-N 2.76Å; I203-T207 PolarHBondContact O-OG1 2.97Å |
| 204 | R | 48.4 | Very low | 50.3 | Low | 168 Ų | 168 | 111 Ų | 111 | 63% | 0.634 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.3 | -40.8 | 176.2 | -74.6 | -179.2 | 176.6 | -153.9 | -0 | 111.8 | Q200 A201 A208 | Q200-R204 WeakPolarHBondContact O-CG 3.27Å; Q200-R204 PolarHBondContact O-N 3.42Å; Q200-R204 VanDerWaalsContact O-N 3.09Å; A201-R204 PolarHBondContact O-N 3.18Å; R204-A208 WeakPolarHBondContact O-CB 3.41Å; R204-A208 PolarHBondContact O-N 2.97Å |
| 205 | L | 51.9 | Low | 50.8 | Low | 98 Ų | 98 | 113.6 Ų | 113.6 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.6 | -42.8 | 177.2 | -168.5 | 65.7 | 0 | 0 | 0 | 111.5 | A201 L202 T207 A208 I209 | A201-L205 WeakPolarHBondContact O-CB 3.46Å; A201-L205 PolarHBondContact O-N 2.69Å; L202-L205 PolarHBondContact O-N 2.89Å; L205-T207 VanDerWaalsContact C-N 3.33Å; L205-T207 PolarHBondContact O-N 3.33Å; L205-A208 PolarHBondContact O-N 3.38Å; L205-I209 HydrophobicContact CD1-CD1 4.4Å; L205-I209 HydrophobicContact CG-CD1 3.89Å; L205-I209 WeakPolarHBondContact O-CB 3.36Å; L205-I209 WeakPolarHBondContact O-CD1 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.44Å; L205-I209 PolarHBondContact O-N 2.99Å |
| 206 | S | 52.7 | Low | 51.1 | Low | 54 Ų | 54 | 110.4 Ų | 110.4 | 38% | 0.378 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.4 | -40.4 | 177.9 | 73.1 | 0 | 0 | 0 | 0 | 111.8 | L202 I203 I209 L210 | L202-S206 WeakPolarHBondContact O-CB 3.31Å; L202-S206 PolarHBondContact O-N 2.96Å; L202-S206 PolarHBondContact O-OG 3.16Å; I203-S206 PolarHBondContact O-N 3.09Å; I203-S206 PolarHBondContact O-OG 3.11Å; S206-I209 PolarHBondContact O-N 3.39Å; S206-L210 WeakPolarHBondContact O-CB 3.42Å; S206-L210 VanDerWaalsContact O-CG 3.27Å; S206-L210 WeakPolarHBondContact O-CG 3.32Å; S206-L210 PolarHBondContact O-N 2.69Å |
| 207 | T | 61.3 | Low | 51.7 | Low | 73 Ų | 73 | 108.1 Ų | 108.1 | 45% | 0.448 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.8 | -41.2 | 178.9 | -48.9 | 0 | 0 | 0 | 0 | 111.1 | I203 L205 I209 L210 C211 | I203-T207 WeakPolarHBondContact O-CB 3.33Å; I203-T207 PolarHBondContact O-N 2.76Å; I203-T207 PolarHBondContact O-OG1 2.97Å; L205-T207 VanDerWaalsContact C-N 3.33Å; L205-T207 PolarHBondContact O-N 3.33Å; T207-I209 PolarHBondContact O-N 3.16Å; T207-L210 PolarHBondContact O-N 2.83Å; T207-C211 WeakPolarHBondContact O-CB 3.44Å; T207-C211 PolarHBondContact O-N 2.72Å; T207-C211 PolarHBondContact O-SG 2.87Å; T207-C211 VanDerWaalsContact O-SG 3.37Å |
| 208 | A | 58.4 | Low | 52 | Low | 57 Ų | 57 | 105.4 Ų | 105.4 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.4 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R204 L205 C211 W212 | R204-A208 WeakPolarHBondContact O-CB 3.41Å; R204-A208 PolarHBondContact O-N 2.97Å; L205-A208 PolarHBondContact O-N 3.38Å; A208-C211 PolarHBondContact O-N 3.36Å; A208-W212 VanDerWaalsContact O-CB 3.3Å; A208-W212 WeakPolarHBondContact O-CB 3.4Å; A208-W212 PolarHBondContact O-N 3.13Å |
| 209 | I | 60.1 | Low | 52.1 | Low | 72 Ų | 72 | 104.5 Ų | 104.5 | 37% | 0.369 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -43.4 | 176.6 | -69.3 | 165.5 | 0 | 0 | 0 | 110.8 | L205 S206 T207 W212 L213 | L205-I209 HydrophobicContact CD1-CD1 4.4Å; L205-I209 HydrophobicContact CG-CD1 3.89Å; L205-I209 WeakPolarHBondContact O-CB 3.36Å; L205-I209 WeakPolarHBondContact O-CD1 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.44Å; L205-I209 PolarHBondContact O-N 2.99Å; S206-I209 PolarHBondContact O-N 3.39Å; T207-I209 PolarHBondContact O-N 3.16Å; I209-W212 PolarHBondContact O-N 3.34Å; I209-L213 HydrophobicContact CG2-CD1 3.83Å; I209-L213 HydrophobicContact CG2-CG 4.32Å; I209-L213 WeakPolarHBondContact O-CB 3.39Å; I209-L213 VanDerWaalsContact O-CG 3.27Å; I209-L213 WeakPolarHBondContact O-CG 3.37Å; I209-L213 PolarHBondContact O-N 3.21Å |
| 210 | L | 65.4 | Low | 52 | Low | 114 Ų | 114 | 107.1 Ų | 107.1 | 60% | 0.597 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.8 | -43.1 | 177.5 | -73.6 | 169.7 | 0 | 0 | 0 | 112.1 | S206 T207 W212 L213 F214 | S206-L210 WeakPolarHBondContact O-CB 3.42Å; S206-L210 VanDerWaalsContact O-CG 3.27Å; S206-L210 WeakPolarHBondContact O-CG 3.32Å; S206-L210 PolarHBondContact O-N 2.69Å; T207-L210 PolarHBondContact O-N 2.83Å; L210-W212 VanDerWaalsContact C-N 3.32Å; L210-W212 PolarHBondContact O-N 3.39Å; L210-L213 PolarHBondContact O-N 3.42Å; L210-F214 VanDerWaalsContact O-CB 3.31Å; L210-F214 WeakPolarHBondContact O-CB 3.23Å; L210-F214 PolarHBondContact O-N 3.48Å |
| 211 | C | 58.7 | Low | 51.9 | Low | 73 Ų | 73 | 111 Ų | 111 | 49% | 0.493 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.9 | -41 | 174.7 | -74.7 | 0 | 0 | 0 | 0 | 111.8 | T207 A208 F214 W215 | T207-C211 WeakPolarHBondContact O-CB 3.44Å; T207-C211 PolarHBondContact O-N 2.72Å; T207-C211 PolarHBondContact O-SG 2.87Å; T207-C211 VanDerWaalsContact O-SG 3.37Å; A208-C211 PolarHBondContact O-N 3.36Å; C211-F214 PolarHBondContact O-N 2.97Å; C211-W215 WeakPolarHBondContact O-CB 3.33Å; C211-W215 PolarHBondContact O-N 2.91Å |
| 212 | W | 64.2 | Low | 51.8 | Low | 138 Ų | 138 | 112.8 Ų | 112.8 | 52% | 0.523 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.1 | -41.9 | 177.9 | -174.3 | 84.8 | 0 | 0 | 0 | 112.4 | L48 A208 I209 L210 F214 W215 S216 | L48-W212 HydrophobicContact CD1-CH2 3.86Å; L48-W212 HydrophobicContact CD1-CZ2 4.39Å; A208-W212 VanDerWaalsContact O-CB 3.3Å; A208-W212 WeakPolarHBondContact O-CB 3.4Å; A208-W212 PolarHBondContact O-N 3.13Å; I209-W212 PolarHBondContact O-N 3.34Å; L210-W212 VanDerWaalsContact C-N 3.32Å; L210-W212 PolarHBondContact O-N 3.39Å; W212-F214 VanDerWaalsContact C-N 3.34Å; W212-F214 PolarHBondContact O-N 3.31Å; W212-W215 PolarHBondContact O-N 3.05Å; W212-S216 WeakPolarHBondContact O-CB 3.08Å; W212-S216 PolarHBondContact O-N 2.97Å |
| 213 | L | 54.1 | Low | 51.2 | Low | 86 Ų | 86 | 114.7 Ų | 114.7 | 45% | 0.45 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64 | -38.2 | 174.3 | -74.5 | 170.7 | 0 | 0 | 0 | 112.2 | I209 L210 S216 K217 | I209-L213 HydrophobicContact CG2-CD1 3.83Å; I209-L213 HydrophobicContact CG2-CG 4.32Å; I209-L213 WeakPolarHBondContact O-CB 3.39Å; I209-L213 VanDerWaalsContact O-CG 3.27Å; I209-L213 WeakPolarHBondContact O-CG 3.37Å; I209-L213 PolarHBondContact O-N 3.21Å; L210-L213 PolarHBondContact O-N 3.42Å; L213-S216 PolarHBondContact O-N 2.89Å; L213-K217 PolarHBondContact O-N 3.02Å |
| 214 | F | 55.9 | Low | 50.5 | Low | 149 Ų | 149 | 117.9 Ų | 117.9 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.4 | -39.9 | 178.2 | -162.3 | -95.5 | 0 | 0 | 0 | 111.9 | L210 C211 W212 | L210-F214 VanDerWaalsContact O-CB 3.31Å; L210-F214 WeakPolarHBondContact O-CB 3.23Å; L210-F214 PolarHBondContact O-N 3.48Å; C211-F214 PolarHBondContact O-N 2.97Å; W212-F214 VanDerWaalsContact C-N 3.34Å; W212-F214 PolarHBondContact O-N 3.31Å |
| 215 | W | 53.9 | Low | 49.9 | Very low | 206 Ų | 206 | 115.9 Ų | 115.9 | 78% | 0.78 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.7 | -44.2 | 172.3 | -170.1 | -3.5 | 0 | 0 | 0 | 111.4 | C211 W212 K217 G218 | C211-W215 WeakPolarHBondContact O-CB 3.33Å; C211-W215 PolarHBondContact O-N 2.91Å; W212-W215 PolarHBondContact O-N 3.05Å; W215-K217 VanDerWaalsContact C-N 3.29Å; W215-K217 PolarHBondContact O-N 3.31Å; W215-G218 PolarHBondContact O-N 2.92Å; W215-G218 VanDerWaalsContact O-N 3.09Å |
| 216 | S | 40.1 | Very low | 49.3 | Very low | 82 Ų | 82 | 116.9 Ų | 116.9 | 57% | 0.573 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.1 | -31.7 | -179.2 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | W212 L213 G218 | W212-S216 WeakPolarHBondContact O-CB 3.08Å; W212-S216 PolarHBondContact O-N 2.97Å; L213-S216 PolarHBondContact O-N 2.89Å; S216-G218 PolarHBondContact O-N 3.16Å |
| 217 | K | 49.6 | Very low | 48.7 | Very low | 184 Ų | 184 | 123 Ų | 123 | 80% | 0.8 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 1.6 | 175.2 | -99.8 | 176.8 | 172.6 | 174.6 | 0 | 115 | L213 W215 S219 | L213-K217 PolarHBondContact O-N 3.02Å; W215-K217 VanDerWaalsContact C-N 3.29Å; W215-K217 PolarHBondContact O-N 3.31Å; K217-S219 PolarHBondContact O-N 2.86Å; K217-S219 VanDerWaalsContact O-N 3.08Å |
| 218 | G | 46.4 | Very low | 47.5 | Very low | 60 Ų | 60 | 123.1 Ų | 123.1 | 62% | 0.619 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.5 | 22 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115 | W215 S216 F220 | W215-G218 PolarHBondContact O-N 2.92Å; W215-G218 VanDerWaalsContact O-N 3.09Å; S216-G218 PolarHBondContact O-N 3.16Å; G218-F220 PolarHBondContact O-N 3.09Å |
| 219 | S | 42.1 | Very low | 46.6 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 67% | 0.665 | S | S | * | * | trans | -84.6 | 9.8 | -176 | -151.4 | 0 | 0 | 0 | 0 | 113.8 | K217 | K217-S219 PolarHBondContact O-N 2.86Å; K217-S219 VanDerWaalsContact O-N 3.08Å | ||
| 220 | F | 43 | Very low | 45.7 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 63% | 0.632 | 69% | 0.686 | S | S | * | * | trans | -112.7 | 97.5 | 172.8 | -147.2 | -95.2 | 0 | 0 | 0 | 108.8 | G218 P222 L233 | G218-F220 PolarHBondContact O-N 3.09Å; F220-P222 WeakPolarHBondContact O-CD 3.47Å; F220-L233 HydrophobicContact CZ-CD1 4.21Å | ||
| 221 | K | 38.9 | Very low | 44 | Very low | 200 Ų | 200 | 132.7 Ų | 132.7 | 87% | 0.87 | 69% | 0.694 | S | S | * | * | trans | -91.2 | 100.5 | 169.5 | -166.2 | 157.9 | -179.4 | 165.9 | 0 | 106.1 | N223 | K221-N223 PolarHBondContact O-N 3.22Š| ||
| 222 | P | 41.8 | Very low | 43 | Very low | 93 Ų | 93 | 137 Ų | 137 | 60% | 0.604 | 71% | 0.708 | S | S | * | * | trans | -64.4 | 116 | 177 | 26.5 | -31.7 | 0 | 0 | 0 | 107.3 | F220 H224 | F220-P222 WeakPolarHBondContact O-CD 3.47Å; P222-H224 PolarHBondContact O-N 2.99Å | ||
| 223 | N | 33.9 | Very low | 41.6 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | -66.4 | 122.7 | 169.8 | -153.5 | -11.8 | 0 | 0 | 0 | 106.6 | K221 D225 | K221-N223 PolarHBondContact O-N 3.22Å; N223-D225 PolarHBondContact O-N 3.23Å | ||
| 224 | H | 39.4 | Very low | 40.9 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | trans | -83.4 | 71.5 | -168.4 | -149.9 | -71.4 | 0 | 0 | 0 | 109 | P222 | P222-H224 PolarHBondContact O-N 2.99Š| ||
| 225 | D | 35.3 | Very low | 39.9 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 67% | 0.674 | 72% | 0.723 | S | S | * | * | trans | -98 | 113.8 | 166.5 | -104.2 | -35.9 | 0 | 0 | 0 | 108.7 | N223 E227 | N223-D225 PolarHBondContact O-N 3.23Å; D225-E227 PolarHBondContact O-N 3.04Å; D225-E227 VanDerWaalsContact O-N 3.12Å | ||
| 226 | P | 41 | Very low | 38.9 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 12.4 | -174.6 | 30.8 | -33.7 | 0 | 0 | 0 | 114.3 | ||
| 227 | E | 38.6 | Very low | 38.4 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 35.5 | -175.6 | -139.8 | -161.5 | 149.9 | 0 | 0 | 114.7 | D225 | D225-E227 PolarHBondContact O-N 3.04Å; D225-E227 VanDerWaalsContact O-N 3.12Å |
| 228 | A | 37.1 | Very low | 37.2 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 62% | 0.62 | 73% | 0.726 | S | S | * | * | trans | -115.6 | 70.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q230 | A228-Q230 PolarHBondContact O-N 2.8Š| ||
| 229 | T | 39.6 | Very low | 36.4 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | -58 | 123.6 | 170.4 | -43.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 230 | Q | 41 | Very low | 35.8 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | 67.3 | 65.5 | 157.5 | -158.4 | 172.2 | 22 | 0 | 0 | 117 | A228 | A228-Q230 PolarHBondContact O-N 2.8Š| ||
| 231 | N | 30.5 | Very low | 35.7 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -107 | 112.8 | 157.6 | -80.8 | -34.4 | 0 | 0 | 0 | 110.6 | L233 | N231-L233 PolarHBondContact O-N 2.92Å; N231-L233 VanDerWaalsContact O-N 3.16Å | ||
| 232 | Q | 37.1 | Very low | 35.5 | Very low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | trans | -49.6 | 115.5 | 164.8 | -64.5 | 176.9 | 55.9 | 0 | 0 | 108.8 | I234 | Q232-I234 HydrophobicContact CB-CD1 4.46Å; Q232-I234 HydrophobicContact CB-CG1 3.91Å; Q232-I234 PolarHBondContact O-N 3.43Å | ||
| 233 | L | 34.6 | Very low | 35.2 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | trans | -76.4 | 83.2 | 165.1 | -99.3 | 145.9 | 0 | 0 | 0 | 107.6 | F220 N231 L235 | F220-L233 HydrophobicContact CZ-CD1 4.21Å; N231-L233 PolarHBondContact O-N 2.92Å; N231-L233 VanDerWaalsContact O-N 3.16Å; L233-L235 PolarHBondContact O-N 3.3Å | ||
| 234 | I | 38.3 | Very low | 35.3 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 61% | 0.61 | 78% | 0.776 | S | S | * | * | trans | -74.9 | 101.6 | 170.3 | -55 | 178.3 | 0 | 0 | 0 | 106.8 | Q232 C236 | Q232-I234 HydrophobicContact CB-CD1 4.46Å; Q232-I234 HydrophobicContact CB-CG1 3.91Å; Q232-I234 PolarHBondContact O-N 3.43Å; I234-C236 WeakPolarHBondContact CG2-SG 3.45Å; I234-C236 PolarHBondContact O-N 3.36Å; I234-C236 VanDerWaalsContact O-N 3.13Å | ||
| 235 | L | 36.5 | Very low | 35 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 67% | 0.665 | 78% | 0.775 | S | S | * | * | trans | -79.6 | 86.9 | 169.6 | -73.7 | 169.7 | 0 | 0 | 0 | 109 | L233 F237 | L233-L235 PolarHBondContact O-N 3.3Å; L235-F237 HydrophobicContact CB-CE2 4.12Å; L235-F237 PolarHBondContact O-N 3.28Å | ||
| 236 | C | 31.7 | Very low | 35 | Very low | 108 Ų | 108 | 146 Ų | 146 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | -77.8 | 105.5 | 169 | -70.2 | 0 | 0 | 0 | 0 | 109.5 | I234 | I234-C236 WeakPolarHBondContact CG2-SG 3.45Å; I234-C236 PolarHBondContact O-N 3.36Å; I234-C236 VanDerWaalsContact O-N 3.13Å | ||
| 237 | F | 29.6 | Very low | 34.6 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | trans | -88.9 | 126.9 | 165.4 | -72.5 | -81.1 | 0 | 0 | 0 | 109.6 | L235 I239 | L235-F237 HydrophobicContact CB-CE2 4.12Å; L235-F237 PolarHBondContact O-N 3.28Å; F237-I239 PolarHBondContact O-N 3.29Å; F237-I239 VanDerWaalsContact O-N 3.09Å | ||
| 238 | P | 26 | Very low | 34.3 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -72 | 105.1 | 171.7 | 28.6 | -30.6 | 0 | 0 | 0 | 108.7 | R240 | P238-R240 PolarHBondContact O-N 3.16Å; P238-R240 VanDerWaalsContact O-N 3.16Å | ||
| 239 | I | 29.3 | Very low | 34.1 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -73.4 | 101.7 | 162.2 | -55.4 | 175.7 | 0 | 0 | 0 | 105.3 | F237 | F237-I239 PolarHBondContact O-N 3.29Å; F237-I239 VanDerWaalsContact O-N 3.09Å | ||
| 240 | R | 29.5 | Very low | 33.7 | Very low | 228 Ų | 228 | 152.8 Ų | 152.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -73.3 | 138.6 | 164.1 | -95.1 | -172 | -173.3 | -171 | 2.5 | 108.3 | P238 | P238-R240 PolarHBondContact O-N 3.16Å; P238-R240 VanDerWaalsContact O-N 3.16Å | ||
| 241 | P | 39.8 | Very low | 33 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 100% | 1.253 | 79% | 0.787 | S | S | * | * | trans | -64.5 | 0 | -175.8 | 29.2 | -35.9 | 0 | 0 | 0 | 112.7 |
Retrieved 241 of 241 residues in 30.5 ms
(Link to these results)