| 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 | 34.2 | Very low | 44.1 | Very low | 249 Ų | 249 | 144.5 Ų | 144.5 | 100% | 1.227 | 78% | 0.779 | S | S | * | * | 0 | 140.5 | 0 | -81.2 | 174 | 162.8 | 0 | 0 | 108.5 | |||||
| 2 | A | 43.2 | Very low | 44.2 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | 85 | 112.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 3 | L | 42.1 | Very low | 44.2 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | -86.9 | 150.4 | 168.1 | -81.4 | 144.3 | 0 | 0 | 0 | 110.8 | ||||
| 4 | D | 48.5 | Very low | 44 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -158.3 | 93.3 | 140.4 | -121.4 | -8.4 | 0 | 0 | 0 | 109 | ||||
| 5 | R | 48.5 | Very low | 43.6 | Very low | 205 Ų | 205 | 140.6 Ų | 140.6 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | 47.4 | 106.3 | 97.9 | -80.9 | -172.8 | 174.4 | 172.8 | -1 | 114.4 | |||||
| 6 | V | 44.2 | Very low | 43.8 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 65 | 122.9 | 77.6 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 7 | S | 49.1 | Very low | 43.6 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | cis | -177.9 | 155.7 | 25.6 | 44.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 8 | G | 43.5 | Very low | 43.4 | Very low | 63 Ų | 63 | 140 Ų | 140 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | trans | -153.5 | -40.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | R58 | G8-R58 PolarHBondContact O-NH2 3.02Š| ||
| 9 | Q | 46.5 | Very low | 43.1 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | -126.8 | 66.2 | -155 | -159.9 | 172.7 | -1.4 | 0 | 0 | 115.5 | ||||
| 10 | R | 42.2 | Very low | 43.1 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 36% | 0.358 | 77% | 0.768 | S | S | . | * | trans | -154.9 | 55 | -169.2 | -86.9 | -47.1 | -136.2 | 120.8 | -45.1 | 111.9 | R53 R54 K55 R58 | R10-R53 PolarHBondContact NH2-O 2.79Å; R10-R54 VanDerWaalsContact NH1-C 3.27Å; R10-R54 PolarHBondContact NH1-O 2.88Å; R10-R54 VanDerWaalsContact NH2-CB 3.33Å; R10-R54 PolarHBondContact NH2-O 3.28Å; R10-K55 HydrophobicContact CB-CD 3.33Å; R10-K55 HydrophobicContact CB-CG 3.25Å; R10-K55 HydrophobicContact CG-CB 4.39Å; R10-K55 HydrophobicContact CG-CD 3.57Å; R10-K55 HydrophobicContact CG-CG 3.04Å; R10-K55 VanDerWaalsContact O-CE 3.3Å; R10-K55 WeakPolarHBondContact O-CE 3.35Å; R10-K55 PolarHBondContact O-NZ 2.87Å; R10-R58 PolarHBondContact O-NH1 2.86Å | ||
| 11 | Q | 43.4 | Very low | 42.7 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | -132.5 | 25.7 | 162.4 | -107.2 | 172.2 | -6.6 | 0 | 0 | 114.5 | L13 R58 | Q11-L13 PolarHBondContact O-N 3.01Å; Q11-R58 VanDerWaalsContact CB-NH1 3.28Å; Q11-R58 VanDerWaalsContact CD-NH1 3.28Å | ||
| 12 | S | 44.8 | Very low | 43 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | -76.5 | 76.9 | 153.3 | 51.4 | 0 | 0 | 0 | 0 | 108.8 | L14 | S12-L14 VanDerWaalsContact C-N 3.26Å; S12-L14 PolarHBondContact O-N 3.4Å | ||
| 13 | L | 44.3 | Very low | 42.9 | Very low | 131 Ų | 131 | 132 Ų | 132 | 69% | 0.686 | 72% | 0.724 | S | S | * | * | trans | -88.7 | 75.6 | 158.8 | -82.8 | 158.9 | 0 | 0 | 0 | 105.8 | Q11 | Q11-L13 PolarHBondContact O-N 3.01Š| ||
| 14 | L | 41.6 | Very low | 42.9 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | -111 | 82.7 | 161.4 | -71.4 | 172.3 | 0 | 0 | 0 | 105 | S12 | S12-L14 VanDerWaalsContact C-N 3.26Å; S12-L14 PolarHBondContact O-N 3.4Å | ||
| 15 | I | 38.7 | Very low | 42.5 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 72% | 0.723 | 72% | 0.719 | S | S | * | * | trans | -111.5 | 60.3 | 164 | -49.2 | 176.8 | 0 | 0 | 0 | 105.8 | ||||
| 16 | D | 46.9 | Very low | 42.6 | Very low | 148 Ų | 148 | 125.5 Ų | 125.5 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | -96.7 | 80.2 | 157.3 | -72.7 | -30.1 | 0 | 0 | 0 | 106.1 | ||||
| 17 | S | 39 | Very low | 42.7 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | trans | -156.3 | 62.3 | 172.5 | -73.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 18 | L | 40.3 | Very low | 42.6 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 89% | 0.89 | 72% | 0.721 | S | S | * | * | trans | -119.2 | 67.7 | 149 | -68.1 | 167.2 | 0 | 0 | 0 | 104.6 | ||||
| 19 | S | 37.9 | Very low | 42.8 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | 13.5 | 83.2 | 94.6 | -160.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 20 | D | 43.1 | Very low | 42.5 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | trans | -109.6 | 99.4 | 141.8 | -135.9 | -3.8 | 0 | 0 | 0 | 104.8 | ||||
| 21 | S | 35.8 | Very low | 42.8 | Very low | 83 Ų | 83 | 137.6 Ų | 137.6 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | 65.1 | 81.9 | 102.6 | -43.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 22 | E | 39.7 | Very low | 42.7 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | 95.6 | 156.4 | 105.4 | -122.6 | -162.3 | 112.7 | 0 | 0 | 110.1 | |||||
| 23 | P | 41.8 | Very low | 42.7 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 55% | 0.545 | 76% | 0.759 | S | S | . | * | cis | -142.7 | -170.6 | -2.9 | 42.9 | -24.1 | 0 | 0 | 0 | 113.9 | ||||
| 24 | E | 41.5 | Very low | 42.7 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 77.5 | 106.9 | 151.1 | -73.6 | -173.3 | 142.6 | 0 | 0 | 118.6 | ||||
| 25 | V | 39.8 | Very low | 42.9 | Very low | 127 Ų | 127 | 132 Ų | 132 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | 114.7 | 150.5 | 73.7 | 148.1 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 26 | P | 49.9 | Very low | 43.4 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 57% | 0.565 | 76% | 0.764 | S | S | * | * | -145.9 | 108.7 | -82.7 | 33.2 | -6.6 | 0 | 0 | 0 | 113.5 | L28 | P26-L28 PolarHBondContact O-N 2.83Š| |||
| 27 | D | 48 | Very low | 43.6 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -88.9 | 105.6 | 174.8 | -71.1 | -20 | 0 | 0 | 0 | 111.9 | E29 | D27-E29 PolarHBondContact O-N 3.4Å; D27-E29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | L | 45.7 | Very low | 44.4 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | -50.6 | 103 | 168.5 | -102.1 | 60.9 | 0 | 0 | 0 | 111.1 | P26 | P26-L28 PolarHBondContact O-N 2.83Š| ||
| 29 | E | 49.2 | Very low | 45.3 | Very low | 182 Ų | 182 | 135.7 Ų | 135.7 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -121.7 | 122.3 | 150.4 | -73.5 | -169.9 | 176.2 | 0 | 0 | 109.4 | D27 I31 | D27-E29 PolarHBondContact O-N 3.4Å; D27-E29 VanDerWaalsContact O-N 3.14Å; E29-I31 PolarHBondContact O-N 3Å | ||
| 30 | L | 40.3 | Very low | 46.4 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -57.1 | 115.7 | -167.3 | -88.5 | 59.5 | 0 | 0 | 0 | 112.6 | P32 | L30-P32 WeakPolarHBondContact O-CD 3.4Š| ||
| 31 | I | 47.5 | Very low | 47.2 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 123.9 | 160.5 | -62 | 160.9 | 0 | 0 | 0 | 107.9 | E29 | E29-I31 PolarHBondContact O-N 3Š|
| 32 | P | 40.5 | Very low | 48.6 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64 | 138.8 | 172 | 23.4 | -30.4 | 0 | 0 | 0 | 110.8 | L30 G34 | L30-P32 WeakPolarHBondContact O-CD 3.4Å; P32-G34 PolarHBondContact O-N 3.45Å |
| 33 | P | 46.3 | Very low | 49.8 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 123.9 | -169.6 | 28.9 | -34 | 0 | 0 | 0 | 110.9 | ||
| 34 | G | 44 | Very low | 50.3 | Low | 70 Ų | 70 | 144.2 Ų | 144.2 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.1 | -19 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | P32 S36 | P32-G34 PolarHBondContact O-N 3.45Å; G34-S36 PolarHBondContact O-N 3.01Å |
| 35 | A | 45.4 | Very low | 51.1 | Low | 103 Ų | 103 | 144.6 Ų | 144.6 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -79.5 | 92.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 36 | S | 49.4 | Very low | 52.1 | Low | 105 Ų | 105 | 144.6 Ų | 144.6 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -59.4 | 140.5 | -177.6 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | G34 K38 | G34-S36 PolarHBondContact O-N 3.01Å; S36-K38 PolarHBondContact O-N 2.89Å | ||
| 37 | K | 51.2 | Low | 52.6 | Low | 211 Ų | 211 | 145.3 Ų | 145.3 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | trans | -62.9 | 102.7 | -179.2 | -66.5 | 168.7 | 174.5 | 177.1 | 0 | 111.6 | S39 | K37-S39 PolarHBondContact O-N 3.07Š| ||
| 38 | K | 55.5 | Low | 52.9 | Low | 193 Ų | 193 | 140.6 Ų | 140.6 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | -79.2 | 105.5 | 164.1 | -72.1 | -176.1 | -178.9 | 179.4 | 0 | 109.4 | S36 R40 | S36-K38 PolarHBondContact O-N 2.89Å; K38-R40 PolarHBondContact O-N 3.09Å | ||
| 39 | S | 59.4 | Low | 53.5 | Low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 122.1 | 173.1 | -177 | 0 | 0 | 0 | 0 | 111.2 | K37 | K37-S39 PolarHBondContact O-N 3.07Š|
| 40 | R | 60.9 | Low | 53.9 | Low | 207 Ų | 207 | 131.5 Ų | 131.5 | 78% | 0.781 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 133.6 | -175.2 | -79.3 | 178.8 | 160.5 | -172.4 | -3.8 | 110.7 | K38 | K38-R40 PolarHBondContact O-N 3.09Š|
| 41 | P | 59.8 | Low | 54.6 | Low | 90 Ų | 90 | 128.1 Ų | 128.1 | 58% | 0.584 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 145 | 175.9 | 26.5 | -32.9 | 0 | 0 | 0 | 113.3 | R46 | P41-R46 PolarHBondContact O-NE 2.8Å; P41-R46 PolarHBondContact O-NH2 2.91Å |
| 42 | N | 64.1 | Low | 54.8 | Low | 126 Ų | 126 | 124 Ų | 124 | 67% | 0.674 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -53 | 143.3 | -176.8 | -94.4 | -14.7 | 0 | 0 | 0 | 114.5 | W44 K45 | N42-W44 PolarHBondContact O-N 3.12Å; N42-K45 PolarHBondContact O-N 3.09Å |
| 43 | R | 65.5 | Low | 55.1 | Low | 168 Ų | 168 | 127.8 Ų | 127.8 | 63% | 0.634 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -54.8 | -46.9 | -168.1 | -163.6 | -176.1 | -167.3 | -167.1 | 6.8 | 114.3 | K45 R46 E47 | R43-K45 PolarHBondContact O-N 2.74Å; R43-R46 WeakPolarHBondContact O-CB 3.41Å; R43-R46 PolarHBondContact O-N 3.26Å; R43-R46 VanDerWaalsContact O-N 3.08Å; R43-E47 IonicContact NE-OE1 3.58Å; R43-E47 PolarHBondContact O-N 3.46Å |
| 44 | W | 51.8 | Low | 55.1 | Low | 199 Ų | 199 | 130.5 Ų | 130.5 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -65.7 | -35.7 | -175.3 | -55.8 | -54.9 | 0 | 0 | 0 | 114.1 | N42 R46 E47 A48 | N42-W44 PolarHBondContact O-N 3.12Å; W44-R46 VanDerWaalsContact C-N 3.26Å; W44-R46 PolarHBondContact O-N 3.23Å; W44-E47 PolarHBondContact O-N 2.96Å; W44-A48 PolarHBondContact O-N 3.39Å; W44-A48 VanDerWaalsContact O-N 3.11Å |
| 45 | K | 59.7 | Low | 55.3 | Low | 177 Ų | 177 | 130.8 Ų | 130.8 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.6 | -27.6 | 175.2 | -82.8 | -172.2 | 176.5 | -178 | 0 | 112.1 | N42 R43 A49 | N42-K45 PolarHBondContact O-N 3.09Å; R43-K45 PolarHBondContact O-N 2.74Å; K45-A49 VanDerWaalsContact O-CB 3.24Å; K45-A49 WeakPolarHBondContact O-CB 3.37Å; K45-A49 PolarHBondContact O-N 2.84Å |
| 46 | R | 60.4 | Low | 55.6 | Low | 128 Ų | 128 | 130.5 Ų | 130.5 | 48% | 0.483 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -71.7 | -40.3 | 172.8 | -92.7 | -175.1 | -81.9 | 173.3 | -2.2 | 111.9 | P41 R43 W44 A50 | P41-R46 PolarHBondContact O-NE 2.8Å; P41-R46 PolarHBondContact O-NH2 2.91Å; R43-R46 WeakPolarHBondContact O-CB 3.41Å; R43-R46 PolarHBondContact O-N 3.26Å; R43-R46 VanDerWaalsContact O-N 3.08Å; W44-R46 VanDerWaalsContact C-N 3.26Å; W44-R46 PolarHBondContact O-N 3.23Å; R46-A50 WeakPolarHBondContact O-CB 3.49Å; R46-A50 PolarHBondContact O-N 3.43Å |
| 47 | E | 59.5 | Low | 55.8 | Low | 102 Ų | 102 | 134.6 Ų | 134.6 | 48% | 0.477 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -68.7 | -45.7 | -178.8 | -70.6 | 169.8 | -171.4 | 0 | 0 | 112 | R43 W44 A49 A50 A51 | R43-E47 IonicContact NE-OE1 3.58Å; R43-E47 PolarHBondContact O-N 3.46Å; W44-E47 PolarHBondContact O-N 2.96Å; E47-A49 PolarHBondContact O-N 2.86Å; E47-A50 PolarHBondContact O-N 3.36Å; E47-A51 WeakPolarHBondContact O-CB 3.05Å; E47-A51 PolarHBondContact O-N 2.86Å |
| 48 | A | 55.1 | Low | 56.1 | Low | 71 Ų | 71 | 128.8 Ų | 128.8 | 59% | 0.587 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.6 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W44 A50 A51 G52 | W44-A48 PolarHBondContact O-N 3.39Å; W44-A48 VanDerWaalsContact O-N 3.11Å; A48-A50 VanDerWaalsContact C-N 3.33Å; A48-A51 PolarHBondContact O-N 2.83Å; A48-G52 PolarHBondContact O-N 3.49Å |
| 49 | A | 57 | Low | 56.2 | Low | 71 Ų | 71 | 124.8 Ų | 124.8 | 59% | 0.587 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.6 | -30.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K45 E47 | K45-A49 VanDerWaalsContact O-CB 3.24Å; K45-A49 WeakPolarHBondContact O-CB 3.37Å; K45-A49 PolarHBondContact O-N 2.84Å; E47-A49 PolarHBondContact O-N 2.86Å |
| 50 | A | 58.1 | Low | 56.2 | Low | 69 Ų | 69 | 123 Ų | 123 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.2 | -36.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R46 E47 A48 | R46-A50 WeakPolarHBondContact O-CB 3.49Å; R46-A50 PolarHBondContact O-N 3.43Å; E47-A50 PolarHBondContact O-N 3.36Å; A48-A50 VanDerWaalsContact C-N 3.33Å |
| 51 | A | 56.4 | Low | 55.9 | Low | 88 Ų | 88 | 118.9 Ų | 118.9 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.8 | -32.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E47 A48 R53 | E47-A51 WeakPolarHBondContact O-CB 3.05Å; E47-A51 PolarHBondContact O-N 2.86Å; A48-A51 PolarHBondContact O-N 2.83Å; A51-R53 PolarHBondContact O-N 3.31Å |
| 52 | G | 51 | Low | 55.9 | Low | 66 Ų | 66 | 122.8 Ų | 122.8 | 68% | 0.68 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -10.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | A48 | A48-G52 PolarHBondContact O-N 3.49Š|
| 53 | R | 47.2 | Very low | 55.7 | Low | 186 Ų | 186 | 123.8 Ų | 123.8 | 70% | 0.702 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -131.3 | 102.4 | -177.9 | -87.7 | -169.5 | 174.7 | -159.3 | 0.1 | 113 | R10 A51 | R10-R53 PolarHBondContact NH2-O 2.79Å; A51-R53 PolarHBondContact O-N 3.31Å |
| 54 | R | 45.3 | Very low | 55.3 | Low | 192 Ų | 192 | 122.2 Ų | 122.2 | 73% | 0.725 | 63% | 0.626 | S | S | * | * | trans | 77.5 | 128.4 | 162 | -49.2 | 162.7 | 172 | 170.8 | -5.2 | 110.2 | R10 | R10-R54 VanDerWaalsContact NH1-C 3.27Å; R10-R54 PolarHBondContact NH1-O 2.88Å; R10-R54 VanDerWaalsContact NH2-CB 3.33Å; R10-R54 PolarHBondContact NH2-O 3.28Å | ||
| 55 | K | 49.7 | Very low | 55.6 | Low | 75 Ų | 75 | 116.5 Ų | 116.5 | 33% | 0.326 | 61% | 0.614 | S | S | . | * | -143.3 | 135.8 | 61.8 | -100.4 | 160.2 | -151.9 | -161.5 | 0 | 107.7 | R10 E57 | R10-K55 HydrophobicContact CB-CD 3.33Å; R10-K55 HydrophobicContact CB-CG 3.25Å; R10-K55 HydrophobicContact CG-CB 4.39Å; R10-K55 HydrophobicContact CG-CD 3.57Å; R10-K55 HydrophobicContact CG-CG 3.04Å; R10-K55 VanDerWaalsContact O-CE 3.3Å; R10-K55 WeakPolarHBondContact O-CE 3.35Å; R10-K55 PolarHBondContact O-NZ 2.87Å; K55-E57 PolarHBondContact O-N 3.43Å | |||
| 56 | P | 51.4 | Low | 55.5 | Low | 97 Ų | 97 | 112.4 Ų | 112.4 | 63% | 0.63 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 136 | 156.2 | 28 | -30.8 | 0 | 0 | 0 | 108 | R58 | P56-R58 PolarHBondContact O-N 3.45Å; P56-R58 VanDerWaalsContact O-N 3.16Å |
| 57 | E | 53.1 | Low | 55.8 | Low | 191 Ų | 191 | 108.8 Ų | 108.8 | 89% | 0.893 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 122.5 | 171.3 | -74.7 | -168.9 | 142.7 | 0 | 0 | 108.9 | K55 | K55-E57 PolarHBondContact O-N 3.43Š|
| 58 | R | 57.9 | Low | 56.4 | Low | 89 Ų | 89 | 105.7 Ų | 105.7 | 34% | 0.336 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -76.2 | 125.2 | 169.3 | -75.6 | -179.9 | 175.2 | -177.8 | -6.6 | 106 | G8 R10 Q11 P56 V60 | G8-R58 PolarHBondContact O-NH2 3.02Å; R10-R58 PolarHBondContact O-NH1 2.86Å; Q11-R58 VanDerWaalsContact CB-NH1 3.28Å; Q11-R58 VanDerWaalsContact CD-NH1 3.28Å; P56-R58 PolarHBondContact O-N 3.45Å; P56-R58 VanDerWaalsContact O-N 3.16Å; R58-V60 PolarHBondContact O-N 2.88Å |
| 59 | P | 58 | Low | 57.4 | Low | 109 Ų | 109 | 106.4 Ų | 106.4 | 71% | 0.708 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 127.4 | 169.9 | 25.5 | -32.2 | 0 | 0 | 0 | 107.5 | D61 | P59-D61 PolarHBondContact O-N 2.88Å; P59-D61 VanDerWaalsContact O-N 3.14Å |
| 60 | V | 57.7 | Low | 58.4 | Low | 83 Ų | 83 | 110.2 Ų | 110.2 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | trans | -69.6 | 110.1 | 175.8 | 176.8 | 0 | 0 | 0 | 0 | 106.1 | R58 Y62 V65 | R58-V60 PolarHBondContact O-N 2.88Å; V60-Y62 HydrophobicContact CB-CE2 4.46Å; V60-Y62 HydrophobicContact CG1-CD1 4.46Å; V60-Y62 HydrophobicContact CG1-CE1 4.43Å; V60-Y62 WeakPolarHBondContact O-CD2 3.33Å; V60-Y62 WeakPolarHBondContact O-CE2 3.5Å; V60-Y62 PolarHBondContact O-N 3.33Å; V60-V65 HydrophobicContact CG1-CG2 4.22Å | ||
| 61 | D | 56.1 | Low | 59.4 | Low | 120 Ų | 120 | 110.3 Ų | 110.3 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | trans | -69.5 | 87.9 | 172.3 | -73.3 | -35.2 | 0 | 0 | 0 | 108.4 | P59 H63 L64 | P59-D61 PolarHBondContact O-N 2.88Å; P59-D61 VanDerWaalsContact O-N 3.14Å; D61-H63 PolarHBondContact O-N 3.42Å; D61-L64 WeakPolarHBondContact O-CB 3.3Å; D61-L64 PolarHBondContact O-N 3.36Å | ||
| 62 | Y | 59.6 | Low | 60.7 | Low | 172 Ų | 172 | 113.5 Ų | 113.5 | 68% | 0.675 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -52.3 | -28.5 | -179.8 | -67.4 | -82.6 | 0 | 0 | 0 | 112.2 | V60 L64 V65 L66 | V60-Y62 HydrophobicContact CB-CE2 4.46Å; V60-Y62 HydrophobicContact CG1-CD1 4.46Å; V60-Y62 HydrophobicContact CG1-CE1 4.43Å; V60-Y62 WeakPolarHBondContact O-CD2 3.33Å; V60-Y62 WeakPolarHBondContact O-CE2 3.5Å; V60-Y62 PolarHBondContact O-N 3.33Å; Y62-L64 PolarHBondContact O-N 3.25Å; Y62-V65 PolarHBondContact O-N 3.45Å; Y62-L66 WeakPolarHBondContact O-CB 3.4Å; Y62-L66 WeakPolarHBondContact O-CD1 3.32Å; Y62-L66 WeakPolarHBondContact O-CG 3.19Å; Y62-L66 PolarHBondContact O-N 2.84Å |
| 63 | H | 58.8 | Low | 62.3 | Low | 146 Ų | 146 | 115.2 Ų | 115.2 | 68% | 0.676 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.7 | -32.2 | 176.2 | -146 | -81.1 | 0 | 0 | 0 | 112.8 | D61 S67 | D61-H63 PolarHBondContact O-N 3.42Å; H63-S67 WeakPolarHBondContact O-CB 3.3Å; H63-S67 PolarHBondContact O-N 2.89Å; H63-S67 PolarHBondContact O-OG 3.17Å |
| 64 | L | 56.8 | Low | 64.2 | Low | 135 Ų | 135 | 109.3 Ų | 109.3 | 71% | 0.707 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -77.6 | -38.5 | 178.3 | -140.5 | 75.6 | 0 | 0 | 0 | 111.7 | D61 Y62 S67 S68 | D61-L64 WeakPolarHBondContact O-CB 3.3Å; D61-L64 PolarHBondContact O-N 3.36Å; Y62-L64 PolarHBondContact O-N 3.25Å; L64-S67 PolarHBondContact O-N 3.43Å; L64-S67 PolarHBondContact O-OG 3.35Å; L64-S68 PolarHBondContact O-N 3.01Å |
| 65 | V | 59.5 | Low | 66.3 | Low | 80 Ų | 80 | 104 Ų | 104 | 49% | 0.485 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | V60 Y62 S67 S68 | V60-V65 HydrophobicContact CG1-CG2 4.22Å; Y62-V65 PolarHBondContact O-N 3.45Å; V65-S67 PolarHBondContact O-N 2.93Å; V65-S68 WeakPolarHBondContact O-CB 3.46Å; V65-S68 PolarHBondContact O-N 2.95Å; V65-S68 PolarHBondContact O-OG 3.41Å |
| 66 | L | 58.1 | Low | 68.1 | Low | 90 Ų | 90 | 106 Ų | 106 | 47% | 0.471 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.5 | -26.1 | 175.2 | -66.8 | 166.5 | 0 | 0 | 0 | 112.5 | Y62 S68 F71 | Y62-L66 WeakPolarHBondContact O-CB 3.4Å; Y62-L66 WeakPolarHBondContact O-CD1 3.32Å; Y62-L66 WeakPolarHBondContact O-CG 3.19Å; Y62-L66 PolarHBondContact O-N 2.84Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-F71 HydrophobicContact CD2-CD1 3.96Å; L66-F71 HydrophobicContact CD2-CE1 3.22Å; L66-F71 HydrophobicContact CD2-CZ 3.7Å; L66-F71 HydrophobicContact CG-CE1 4.41Å |
| 67 | S | 64.6 | Low | 70.1 | Confident | 52 Ų | 52 | 105.6 Ų | 105.6 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.4 | 177 | 77.2 | 0 | 0 | 0 | 0 | 113.9 | H63 L64 V65 | H63-S67 WeakPolarHBondContact O-CB 3.3Å; H63-S67 PolarHBondContact O-N 2.89Å; H63-S67 PolarHBondContact O-OG 3.17Å; L64-S67 PolarHBondContact O-N 3.43Å; L64-S67 PolarHBondContact O-OG 3.35Å; V65-S67 PolarHBondContact O-N 2.93Å |
| 68 | S | 73.2 | Confident | 72 | Confident | 38 Ų | 38 | 101.2 Ų | 101.2 | 27% | 0.266 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -65.2 | 135.2 | -179.9 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | L64 V65 L66 H70 F71 R72 | L64-S68 PolarHBondContact O-N 3.01Å; V65-S68 WeakPolarHBondContact O-CB 3.46Å; V65-S68 PolarHBondContact O-N 2.95Å; V65-S68 PolarHBondContact O-OG 3.41Å; L66-S68 VanDerWaalsContact C-N 3.32Å; S68-H70 PolarHBondContact O-N 3.42Å; S68-F71 PolarHBondContact O-N 2.85Å; S68-F71 VanDerWaalsContact O-N 3.11Å; S68-F71 VanDerWaalsContact OG-CB 3.29Å; S68-F71 WeakPolarHBondContact OG-CB 3.36Å; S68-R72 PolarHBondContact O-N 3.42Å |
| 69 | P | 76.3 | Confident | 73.7 | Confident | 85 Ų | 85 | 99 Ų | 99 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.1 | -33.7 | -176 | 23 | -33 | 0 | 0 | 0 | 112 | F71 R72 I73 | P69-F71 PolarHBondContact O-N 3.48Å; P69-R72 PolarHBondContact O-N 3.29Å; P69-I73 WeakPolarHBondContact O-CD1 3.48Å; P69-I73 VanDerWaalsContact O-CG1 3.27Å; P69-I73 WeakPolarHBondContact O-CG1 3.47Å; P69-I73 PolarHBondContact O-N 2.89Å |
| 70 | H | 78 | Confident | 75.4 | Confident | 152 Ų | 152 | 97.8 Ų | 97.8 | 70% | 0.704 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -40.8 | 176.6 | -58.3 | 94.6 | 0 | 0 | 0 | 112.5 | S68 I73 S74 | S68-H70 PolarHBondContact O-N 3.42Å; H70-I73 PolarHBondContact O-N 2.82Å; H70-S74 PolarHBondContact O-N 3.33Å; H70-S74 PolarHBondContact O-OG 2.65Å |
| 71 | F | 79.4 | Confident | 77.1 | Confident | 70 Ų | 70 | 96.1 Ų | 96.1 | 31% | 0.307 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.6 | -34.5 | 177.3 | -173.4 | -99.2 | 0 | 0 | 0 | 112.1 | L66 S68 P69 S74 L75 | L66-F71 HydrophobicContact CD2-CD1 3.96Å; L66-F71 HydrophobicContact CD2-CE1 3.22Å; L66-F71 HydrophobicContact CD2-CZ 3.7Å; L66-F71 HydrophobicContact CG-CE1 4.41Å; S68-F71 PolarHBondContact O-N 2.85Å; S68-F71 VanDerWaalsContact O-N 3.11Å; S68-F71 VanDerWaalsContact OG-CB 3.29Å; S68-F71 WeakPolarHBondContact OG-CB 3.36Å; P69-F71 PolarHBondContact O-N 3.48Å; F71-S74 WeakPolarHBondContact CA-OG 3.32Å; F71-S74 PolarHBondContact O-N 3.32Å; F71-S74 PolarHBondContact O-OG 2.91Å; F71-L75 HydrophobicContact CD1-CD1 3.72Å; F71-L75 HydrophobicContact CD1-CG 4.06Å; F71-L75 HydrophobicContact CE1-CD1 3.23Å; F71-L75 HydrophobicContact CE1-CD2 4.2Å; F71-L75 HydrophobicContact CE1-CG 3.66Å; F71-L75 HydrophobicContact CZ-CD1 3.96Å; F71-L75 HydrophobicContact CZ-CD2 4.07Å; F71-L75 HydrophobicContact CZ-CG 3.96Å; F71-L75 WeakPolarHBondContact O-CB 3.43Å; F71-L75 VanDerWaalsContact O-CG 3.32Å; F71-L75 WeakPolarHBondContact O-CG 3.11Å; F71-L75 PolarHBondContact O-N 2.89Å |
| 72 | R | 82.4 | Confident | 78.9 | Confident | 155 Ų | 155 | 95.7 Ų | 95.7 | 59% | 0.585 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66 | -44.1 | 173.6 | -67.9 | -176.4 | 176.8 | -170.9 | -0.5 | 112 | S68 P69 S74 L75 L76 | S68-R72 PolarHBondContact O-N 3.42Å; P69-R72 PolarHBondContact O-N 3.29Å; R72-S74 VanDerWaalsContact C-N 3.35Å; R72-L75 PolarHBondContact O-N 2.86Å; R72-L76 WeakPolarHBondContact O-CG 3.37Å; R72-L76 PolarHBondContact O-N 3.16Å |
| 73 | I | 85.7 | Confident | 80.6 | Confident | 103 Ų | 103 | 93.2 Ų | 93.2 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.7 | -65.8 | 161 | 0 | 0 | 0 | 110 | P69 H70 L75 L76 V77 | P69-I73 WeakPolarHBondContact O-CD1 3.48Å; P69-I73 VanDerWaalsContact O-CG1 3.27Å; P69-I73 WeakPolarHBondContact O-CG1 3.47Å; P69-I73 PolarHBondContact O-N 2.89Å; H70-I73 PolarHBondContact O-N 2.82Å; I73-L75 VanDerWaalsContact C-N 3.34Å; I73-L75 PolarHBondContact O-N 3.32Å; I73-L76 PolarHBondContact O-N 3.43Å; I73-V77 HydrophobicContact CG2-CG2 4.4Å; I73-V77 WeakPolarHBondContact O-CG2 3.36Å; I73-V77 PolarHBondContact O-N 3.27Å |
| 74 | S | 87.2 | Confident | 82.3 | Confident | 61 Ų | 61 | 89.5 Ų | 89.5 | 43% | 0.427 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 178.2 | 68.8 | 0 | 0 | 0 | 0 | 112.2 | H70 F71 R72 V77 L78 | H70-S74 PolarHBondContact O-N 3.33Å; H70-S74 PolarHBondContact O-OG 2.65Å; F71-S74 WeakPolarHBondContact CA-OG 3.32Å; F71-S74 PolarHBondContact O-N 3.32Å; F71-S74 PolarHBondContact O-OG 2.91Å; R72-S74 VanDerWaalsContact C-N 3.35Å; S74-V77 PolarHBondContact O-N 3.33Å; S74-L78 WeakPolarHBondContact O-CB 3.44Å; S74-L78 PolarHBondContact O-N 2.88Å |
| 75 | L | 88.1 | Confident | 84.1 | Confident | 82 Ų | 82 | 87.9 Ų | 87.9 | 43% | 0.429 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 173 | -79 | -178.1 | 0 | 0 | 0 | 112.7 | F71 R72 I73 L78 A79 | F71-L75 HydrophobicContact CD1-CD1 3.72Å; F71-L75 HydrophobicContact CD1-CG 4.06Å; F71-L75 HydrophobicContact CE1-CD1 3.23Å; F71-L75 HydrophobicContact CE1-CD2 4.2Å; F71-L75 HydrophobicContact CE1-CG 3.66Å; F71-L75 HydrophobicContact CZ-CD1 3.96Å; F71-L75 HydrophobicContact CZ-CD2 4.07Å; F71-L75 HydrophobicContact CZ-CG 3.96Å; F71-L75 WeakPolarHBondContact O-CB 3.43Å; F71-L75 VanDerWaalsContact O-CG 3.32Å; F71-L75 WeakPolarHBondContact O-CG 3.11Å; F71-L75 PolarHBondContact O-N 2.89Å; R72-L75 PolarHBondContact O-N 2.86Å; I73-L75 VanDerWaalsContact C-N 3.34Å; I73-L75 PolarHBondContact O-N 3.32Å; L75-L78 PolarHBondContact O-N 2.94Å; L75-A79 VanDerWaalsContact O-CB 3.3Å; L75-A79 WeakPolarHBondContact O-CB 3.5Å; L75-A79 PolarHBondContact O-N 3.38Å |
| 76 | L | 89 | Confident | 85.8 | Confident | 117 Ų | 117 | 88.8 Ų | 88.8 | 61% | 0.613 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 176.6 | -73.3 | 173.8 | 0 | 0 | 0 | 111.3 | R72 I73 L78 A79 T80 | R72-L76 WeakPolarHBondContact O-CG 3.37Å; R72-L76 PolarHBondContact O-N 3.16Å; I73-L76 PolarHBondContact O-N 3.43Å; L76-L78 VanDerWaalsContact C-N 3.33Å; L76-L78 PolarHBondContact O-N 3.5Å; L76-A79 PolarHBondContact O-N 2.86Å; L76-T80 WeakPolarHBondContact O-CG2 3.25Å; L76-T80 PolarHBondContact O-N 2.99Å; L76-T80 PolarHBondContact O-OG1 2.87Å |
| 77 | V | 92 | Very high | 87.5 | Confident | 87 Ų | 87 | 86.2 Ų | 86.2 | 53% | 0.527 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | I73 S74 T80 A81 | I73-V77 HydrophobicContact CG2-CG2 4.4Å; I73-V77 WeakPolarHBondContact O-CG2 3.36Å; I73-V77 PolarHBondContact O-N 3.27Å; S74-V77 PolarHBondContact O-N 3.33Å; V77-T80 WeakPolarHBondContact CA-OG1 3.4Å; V77-T80 PolarHBondContact O-OG1 3.48Å; V77-A81 WeakPolarHBondContact O-CB 3.34Å; V77-A81 PolarHBondContact O-N 2.82Å |
| 78 | L | 94 | Very high | 88.9 | Confident | 99 Ų | 99 | 86.8 Ų | 86.8 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 175.5 | -177.3 | 64.6 | 0 | 0 | 0 | 111.4 | S74 L75 L76 A81 L82 | S74-L78 WeakPolarHBondContact O-CB 3.44Å; S74-L78 PolarHBondContact O-N 2.88Å; L75-L78 PolarHBondContact O-N 2.94Å; L76-L78 VanDerWaalsContact C-N 3.33Å; L76-L78 PolarHBondContact O-N 3.5Å; L78-A81 PolarHBondContact O-N 3.39Å; L78-L82 HydrophobicContact CG-CD1 4.33Å; L78-L82 WeakPolarHBondContact O-CG 3.43Å; L78-L82 PolarHBondContact O-N 3.04Å |
| 79 | A | 92.7 | Very high | 90 | Very high | 43 Ų | 43 | 89.8 Ų | 89.8 | 36% | 0.355 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L75 L76 L82 L83 | L75-A79 VanDerWaalsContact O-CB 3.3Å; L75-A79 WeakPolarHBondContact O-CB 3.5Å; L75-A79 PolarHBondContact O-N 3.38Å; L76-A79 PolarHBondContact O-N 2.86Å; A79-L82 PolarHBondContact O-N 2.99Å; A79-L83 WeakPolarHBondContact O-CB 3.25Å; A79-L83 WeakPolarHBondContact O-CD1 3.18Å; A79-L83 PolarHBondContact O-N 3.29Å |
| 80 | T | 93.2 | Very high | 90.8 | Very high | 84 Ų | 84 | 90.6 Ų | 90.6 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 175.9 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | L76 V77 L83 A84 | L76-T80 WeakPolarHBondContact O-CG2 3.25Å; L76-T80 PolarHBondContact O-N 2.99Å; L76-T80 PolarHBondContact O-OG1 2.87Å; V77-T80 WeakPolarHBondContact CA-OG1 3.4Å; V77-T80 PolarHBondContact O-OG1 3.48Å; T80-L83 PolarHBondContact O-N 3.01Å; T80-A84 WeakPolarHBondContact O-CB 3.35Å; T80-A84 PolarHBondContact O-N 3.36Å |
| 81 | A | 94.1 | Very high | 91.5 | Very high | 48 Ų | 48 | 90.6 Ų | 90.6 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | V77 L78 A84 V85 | V77-A81 WeakPolarHBondContact O-CB 3.34Å; V77-A81 PolarHBondContact O-N 2.82Å; L78-A81 PolarHBondContact O-N 3.39Å; A81-A84 PolarHBondContact O-N 3.28Å; A81-V85 VanDerWaalsContact O-CG2 3.32Å; A81-V85 WeakPolarHBondContact O-CG2 3.38Å; A81-V85 PolarHBondContact O-N 3.04Å |
| 82 | L | 94.9 | Very high | 92.2 | Very high | 111 Ų | 111 | 94 Ų | 94 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -41.1 | 176.2 | -70.6 | 174.1 | 0 | 0 | 0 | 112.1 | L78 A79 V85 L86 | L78-L82 HydrophobicContact CG-CD1 4.33Å; L78-L82 WeakPolarHBondContact O-CG 3.43Å; L78-L82 PolarHBondContact O-N 3.04Å; A79-L82 PolarHBondContact O-N 2.99Å; L82-V85 PolarHBondContact O-N 3.5Å; L82-L86 WeakPolarHBondContact O-CB 3.46Å; L82-L86 PolarHBondContact O-N 3.42Å |
| 83 | L | 95 | Very high | 92.7 | Very high | 119 Ų | 119 | 90.8 Ų | 90.8 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -40 | 174 | -87.5 | 153.9 | 0 | 0 | 0 | 112.2 | A79 T80 L86 G87 | A79-L83 WeakPolarHBondContact O-CB 3.25Å; A79-L83 WeakPolarHBondContact O-CD1 3.18Å; A79-L83 PolarHBondContact O-N 3.29Å; T80-L83 PolarHBondContact O-N 3.01Å; L83-L86 PolarHBondContact O-N 3.23Å; L83-G87 PolarHBondContact O-N 3.46Å |
| 84 | A | 93.7 | Very high | 92.9 | Very high | 68 Ų | 68 | 88.7 Ų | 88.7 | 56% | 0.562 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | T80 A81 G87 A88 | T80-A84 WeakPolarHBondContact O-CB 3.35Å; T80-A84 PolarHBondContact O-N 3.36Å; A81-A84 PolarHBondContact O-N 3.28Å; A84-G87 PolarHBondContact O-N 3.45Å; A84-A88 WeakPolarHBondContact O-CB 3.41Å; A84-A88 PolarHBondContact O-N 2.98Å |
| 85 | V | 95.2 | Very high | 93.1 | Very high | 102 Ų | 102 | 88.2 Ų | 88.2 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.8 | -45 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | A81 L82 A88 L89 | A81-V85 VanDerWaalsContact O-CG2 3.32Å; A81-V85 WeakPolarHBondContact O-CG2 3.38Å; A81-V85 PolarHBondContact O-N 3.04Å; L82-V85 PolarHBondContact O-N 3.5Å; V85-A88 PolarHBondContact O-N 3.47Å; V85-L89 WeakPolarHBondContact O-CB 3.39Å; V85-L89 PolarHBondContact O-N 3.48Å |
| 86 | L | 95.1 | Very high | 93.3 | Very high | 98 Ų | 98 | 87.7 Ų | 87.7 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 177.3 | -162.6 | 91.2 | 0 | 0 | 0 | 111.4 | L82 L83 L89 I90 | L82-L86 WeakPolarHBondContact O-CB 3.46Å; L82-L86 PolarHBondContact O-N 3.42Å; L83-L86 PolarHBondContact O-N 3.23Å; L86-L89 PolarHBondContact O-N 2.92Å; L86-I90 HydrophobicContact CD2-CD1 3.98Å; L86-I90 HydrophobicContact CG-CD1 4.03Å; L86-I90 VanDerWaalsContact O-CG1 3.25Å; L86-I90 WeakPolarHBondContact O-CG1 3.25Å; L86-I90 PolarHBondContact O-N 3.4Å |
| 87 | G | 94.6 | Very high | 93.3 | Very high | 37 Ų | 37 | 88.5 Ų | 88.5 | 38% | 0.381 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L83 A84 L89 I90 F91 | L83-G87 PolarHBondContact O-N 3.46Å; A84-G87 PolarHBondContact O-N 3.45Å; G87-L89 VanDerWaalsContact C-N 3.33Å; G87-L89 PolarHBondContact O-N 3.4Å; G87-I90 PolarHBondContact O-N 3.24Å; G87-F91 WeakPolarHBondContact O-CB 3.4Å; G87-F91 PolarHBondContact O-N 2.88Å |
| 88 | A | 94.2 | Very high | 93.2 | Very high | 63 Ų | 63 | 86.4 Ų | 86.4 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | A84 V85 F91 Y92 | A84-A88 WeakPolarHBondContact O-CB 3.41Å; A84-A88 PolarHBondContact O-N 2.98Å; V85-A88 PolarHBondContact O-N 3.47Å; A88-F91 PolarHBondContact O-N 2.71Å; A88-Y92 WeakPolarHBondContact O-CB 3.44Å; A88-Y92 PolarHBondContact O-N 3.14Å |
| 89 | L | 95 | Very high | 92.9 | Very high | 101 Ų | 101 | 87.4 Ų | 87.4 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 176.9 | -172.1 | 71.7 | 0 | 0 | 0 | 111.8 | V85 L86 G87 F91 Y92 V93 | V85-L89 WeakPolarHBondContact O-CB 3.39Å; V85-L89 PolarHBondContact O-N 3.48Å; L86-L89 PolarHBondContact O-N 2.92Å; G87-L89 VanDerWaalsContact C-N 3.33Å; G87-L89 PolarHBondContact O-N 3.4Å; L89-F91 VanDerWaalsContact C-N 3.34Å; L89-F91 PolarHBondContact O-N 3.33Å; L89-Y92 WeakPolarHBondContact O-CB 3.46Å; L89-Y92 PolarHBondContact O-N 2.86Å; L89-V93 WeakPolarHBondContact O-CG2 3.28Å; L89-V93 PolarHBondContact O-N 2.91Å |
| 90 | I | 92.5 | Very high | 92.6 | Very high | 103 Ų | 103 | 90.5 Ų | 90.5 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 177 | -67.5 | 164 | 0 | 0 | 0 | 110.1 | L86 G87 Y92 V93 A94 | L86-I90 HydrophobicContact CD2-CD1 3.98Å; L86-I90 HydrophobicContact CG-CD1 4.03Å; L86-I90 VanDerWaalsContact O-CG1 3.25Å; L86-I90 WeakPolarHBondContact O-CG1 3.25Å; L86-I90 PolarHBondContact O-N 3.4Å; G87-I90 PolarHBondContact O-N 3.24Å; I90-Y92 VanDerWaalsContact C-N 3.34Å; I90-Y92 PolarHBondContact O-N 3.01Å; I90-V93 PolarHBondContact O-N 3.47Å; I90-A94 VanDerWaalsContact O-CB 3.3Å; I90-A94 WeakPolarHBondContact O-CB 3.45Å; I90-A94 PolarHBondContact O-N 2.91Å |
| 91 | F | 93.1 | Very high | 92.2 | Very high | 152 Ų | 152 | 89 Ų | 89 | 67% | 0.667 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 175.6 | -178.2 | -99.7 | 0 | 0 | 0 | 112 | G87 A88 L89 A94 S95 | G87-F91 WeakPolarHBondContact O-CB 3.4Å; G87-F91 PolarHBondContact O-N 2.88Å; A88-F91 PolarHBondContact O-N 2.71Å; L89-F91 VanDerWaalsContact C-N 3.34Å; L89-F91 PolarHBondContact O-N 3.33Å; F91-A94 PolarHBondContact O-N 3.15Å; F91-S95 VanDerWaalsContact O-CB 3.25Å; F91-S95 WeakPolarHBondContact O-CB 3.46Å; F91-S95 PolarHBondContact O-N 2.87Å |
| 92 | Y | 94.6 | Very high | 91.8 | Very high | 140 Ų | 140 | 89 Ų | 89 | 55% | 0.549 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 176 | -180 | -102.6 | 0 | 0 | 0 | 111.7 | A88 L89 I90 S95 L96 | A88-Y92 WeakPolarHBondContact O-CB 3.44Å; A88-Y92 PolarHBondContact O-N 3.14Å; L89-Y92 WeakPolarHBondContact O-CB 3.46Å; L89-Y92 PolarHBondContact O-N 2.86Å; I90-Y92 VanDerWaalsContact C-N 3.34Å; I90-Y92 PolarHBondContact O-N 3.01Å; Y92-S95 PolarHBondContact O-N 3.43Å; Y92-L96 HydrophobicContact CE1-CD1 4.28Å; Y92-L96 HydrophobicContact CE2-CD1 4.26Å; Y92-L96 WeakPolarHBondContact O-CB 3.44Å; Y92-L96 PolarHBondContact O-N 3.08Å |
| 93 | V | 93.7 | Very high | 91.5 | Very high | 88 Ų | 88 | 87.4 Ų | 87.4 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 178.1 | 174 | 0 | 0 | 0 | 0 | 111.5 | L89 I90 L96 H97 | L89-V93 WeakPolarHBondContact O-CG2 3.28Å; L89-V93 PolarHBondContact O-N 2.91Å; I90-V93 PolarHBondContact O-N 3.47Å; V93-L96 PolarHBondContact O-N 2.88Å; V93-H97 WeakPolarHBondContact O-CB 3.44Å; V93-H97 PolarHBondContact O-N 3.35Å |
| 94 | A | 89.2 | Confident | 91.1 | Very high | 60 Ų | 60 | 88.9 Ų | 88.9 | 50% | 0.496 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I90 F91 H97 G98 | I90-A94 VanDerWaalsContact O-CB 3.3Å; I90-A94 WeakPolarHBondContact O-CB 3.45Å; I90-A94 PolarHBondContact O-N 2.91Å; F91-A94 PolarHBondContact O-N 3.15Å; A94-H97 PolarHBondContact O-N 2.96Å; A94-G98 PolarHBondContact O-N 3.46Å |
| 95 | S | 92.1 | Very high | 90.7 | Very high | 50 Ų | 50 | 90 Ų | 90 | 35% | 0.35 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 174.5 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | F91 Y92 H97 G98 Q99 | F91-S95 VanDerWaalsContact O-CB 3.25Å; F91-S95 WeakPolarHBondContact O-CB 3.46Å; F91-S95 PolarHBondContact O-N 2.87Å; Y92-S95 PolarHBondContact O-N 3.43Å; S95-H97 VanDerWaalsContact C-N 3.32Å; S95-H97 PolarHBondContact O-N 3.34Å; S95-G98 PolarHBondContact O-N 3.48Å; S95-Q99 WeakPolarHBondContact O-CG 3.43Å; S95-Q99 PolarHBondContact O-N 3.41Å |
| 96 | L | 91.3 | Very high | 90.3 | Very high | 71 Ų | 71 | 90.8 Ų | 90.8 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 175.8 | -135.7 | 80.6 | 0 | 0 | 0 | 111.5 | Y92 V93 Q99 L100 | Y92-L96 HydrophobicContact CE1-CD1 4.28Å; Y92-L96 HydrophobicContact CE2-CD1 4.26Å; Y92-L96 WeakPolarHBondContact O-CB 3.44Å; Y92-L96 PolarHBondContact O-N 3.08Å; V93-L96 PolarHBondContact O-N 2.88Å; L96-Q99 PolarHBondContact O-N 3.3Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 3.26Å |
| 97 | H | 90.3 | Very high | 89.8 | Confident | 135 Ų | 135 | 91.6 Ų | 91.6 | 63% | 0.625 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.9 | -39.2 | 178.3 | -163.3 | 70 | 0 | 0 | 0 | 111.9 | V93 A94 S95 L100 S101 | V93-H97 WeakPolarHBondContact O-CB 3.44Å; V93-H97 PolarHBondContact O-N 3.35Å; A94-H97 PolarHBondContact O-N 2.96Å; S95-H97 VanDerWaalsContact C-N 3.32Å; S95-H97 PolarHBondContact O-N 3.34Å; H97-L100 PolarHBondContact O-N 2.97Å; H97-S101 VanDerWaalsContact O-CB 3.29Å; H97-S101 WeakPolarHBondContact O-CB 3.37Å; H97-S101 PolarHBondContact O-N 2.98Å |
| 98 | G | 88.6 | Confident | 89.3 | Confident | 42 Ų | 42 | 95.5 Ų | 95.5 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A94 S95 S101 A102 | A94-G98 PolarHBondContact O-N 3.46Å; S95-G98 PolarHBondContact O-N 3.48Å; G98-S101 PolarHBondContact O-N 3.41Å; G98-A102 PolarHBondContact O-N 2.85Å |
| 99 | Q | 88.5 | Confident | 88.9 | Confident | 121 Ų | 121 | 99.2 Ų | 99.2 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 176.9 | -69.8 | 179.6 | 2.7 | 0 | 0 | 112.1 | S95 L96 S101 A102 V103 | S95-Q99 WeakPolarHBondContact O-CG 3.43Å; S95-Q99 PolarHBondContact O-N 3.41Å; L96-Q99 PolarHBondContact O-N 3.3Å; Q99-S101 VanDerWaalsContact C-N 3.32Å; Q99-S101 PolarHBondContact O-N 3.33Å; Q99-A102 PolarHBondContact O-N 3.09Å; Q99-V103 WeakPolarHBondContact O-CG2 3.37Å; Q99-V103 PolarHBondContact O-N 3.2Å |
| 100 | L | 86 | Confident | 88.3 | Confident | 108 Ų | 108 | 100.2 Ų | 100.2 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.6 | -39.3 | 176 | -78.1 | 167 | 0 | 0 | 0 | 112 | L96 H97 K104 | L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 3.26Å; H97-L100 PolarHBondContact O-N 2.97Å; L100-K104 WeakPolarHBondContact O-CB 3.21Å; L100-K104 PolarHBondContact O-N 3.49Å |
| 101 | S | 84.6 | Confident | 87.9 | Confident | 51 Ų | 51 | 101 Ų | 101 | 36% | 0.357 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 176.7 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | H97 G98 Q99 K104 N105 | H97-S101 VanDerWaalsContact O-CB 3.29Å; H97-S101 WeakPolarHBondContact O-CB 3.37Å; H97-S101 PolarHBondContact O-N 2.98Å; G98-S101 PolarHBondContact O-N 3.41Å; Q99-S101 VanDerWaalsContact C-N 3.32Å; Q99-S101 PolarHBondContact O-N 3.33Å; S101-K104 PolarHBondContact O-N 2.87Å; S101-N105 WeakPolarHBondContact O-CB 3.43Å; S101-N105 VanDerWaalsContact O-CG 3.24Å; S101-N105 PolarHBondContact O-N 3.04Å; S101-N105 PolarHBondContact O-ND2 3.45Å |
| 102 | A | 86.3 | Confident | 87.3 | Confident | 48 Ų | 48 | 98.9 Ų | 98.9 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61 | -51 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G98 Q99 K104 N105 E106 | G98-A102 PolarHBondContact O-N 2.85Å; Q99-A102 PolarHBondContact O-N 3.09Å; A102-K104 VanDerWaalsContact C-N 3.3Å; A102-K104 PolarHBondContact O-N 2.91Å; A102-N105 PolarHBondContact O-N 2.89Å; A102-N105 VanDerWaalsContact O-N 3.15Å; A102-E106 WeakPolarHBondContact O-CG 3.44Å; A102-E106 PolarHBondContact O-N 3.44Å |
| 103 | V | 87.2 | Confident | 86.5 | Confident | 78 Ų | 78 | 94.7 Ų | 94.7 | 47% | 0.473 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.3 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | Q99 E106 L107 | Q99-V103 WeakPolarHBondContact O-CG2 3.37Å; Q99-V103 PolarHBondContact O-N 3.2Å; V103-E106 PolarHBondContact O-N 3.36Å; V103-L107 HydrophobicContact CG1-CD1 4.31Å; V103-L107 WeakPolarHBondContact O-CB 3.35Å; V103-L107 PolarHBondContact O-N 2.9Å |
| 104 | K | 87.1 | Confident | 85.4 | Confident | 151 Ų | 151 | 96.1 Ų | 96.1 | 66% | 0.657 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 176.9 | -178.4 | -175.7 | 173.6 | -172.9 | 0 | 111.7 | L100 S101 A102 L107 K108 | L100-K104 WeakPolarHBondContact O-CB 3.21Å; L100-K104 PolarHBondContact O-N 3.49Å; S101-K104 PolarHBondContact O-N 2.87Å; A102-K104 VanDerWaalsContact C-N 3.3Å; A102-K104 PolarHBondContact O-N 2.91Å; K104-L107 PolarHBondContact O-N 3.32Å; K104-K108 WeakPolarHBondContact O-CB 3.44Å; K104-K108 PolarHBondContact O-N 3.45Å |
| 105 | N | 85.7 | Confident | 84.5 | Confident | 91 Ų | 91 | 102.2 Ų | 102.2 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.2 | -41.7 | 178.2 | -70.9 | -16.1 | 0 | 0 | 0 | 111.3 | S101 A102 L107 K108 E109 | S101-N105 WeakPolarHBondContact O-CB 3.43Å; S101-N105 VanDerWaalsContact O-CG 3.24Å; S101-N105 PolarHBondContact O-N 3.04Å; S101-N105 PolarHBondContact O-ND2 3.45Å; A102-N105 PolarHBondContact O-N 2.89Å; A102-N105 VanDerWaalsContact O-N 3.15Å; N105-L107 VanDerWaalsContact C-N 3.35Å; N105-L107 PolarHBondContact O-N 3.42Å; N105-K108 PolarHBondContact O-N 2.9Å; N105-K108 VanDerWaalsContact O-N 3.16Å; N105-E109 WeakPolarHBondContact O-CB 3.28Å; N105-E109 PolarHBondContact O-N 2.89Å |
| 106 | E | 87 | Confident | 83.3 | Confident | 119 Ų | 119 | 105.6 Ų | 105.6 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.1 | -43.7 | 172.4 | -73 | 178.8 | -176.4 | 0 | 0 | 111.4 | A102 V103 K108 E109 L110 | A102-E106 WeakPolarHBondContact O-CG 3.44Å; A102-E106 PolarHBondContact O-N 3.44Å; V103-E106 PolarHBondContact O-N 3.36Å; E106-K108 VanDerWaalsContact C-N 3.31Å; E106-K108 PolarHBondContact O-N 3.35Å; E106-E109 PolarHBondContact O-N 3.31Å; E106-L110 WeakPolarHBondContact O-CB 3.48Å; E106-L110 VanDerWaalsContact O-CG 3.25Å; E106-L110 WeakPolarHBondContact O-CG 3.3Å; E106-L110 PolarHBondContact O-N 3.41Å |
| 107 | L | 83.9 | Confident | 82 | Confident | 114 Ų | 114 | 108.2 Ų | 108.2 | 60% | 0.597 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.8 | -39.4 | 174.9 | -117.5 | 79.9 | 0 | 0 | 0 | 112 | V103 K104 N105 L111 | V103-L107 HydrophobicContact CG1-CD1 4.31Å; V103-L107 WeakPolarHBondContact O-CB 3.35Å; V103-L107 PolarHBondContact O-N 2.9Å; K104-L107 PolarHBondContact O-N 3.32Å; N105-L107 VanDerWaalsContact C-N 3.35Å; N105-L107 PolarHBondContact O-N 3.42Å; L107-L111 WeakPolarHBondContact O-CB 3.3Å; L107-L111 PolarHBondContact O-N 2.95Å |
| 108 | K | 85.4 | Confident | 80.4 | Confident | 119 Ų | 119 | 104.6 Ų | 104.6 | 52% | 0.517 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 179.2 | -170.2 | -176.6 | 175.5 | -159.9 | 0 | 110.8 | K104 N105 E106 L111 E112 | K104-K108 WeakPolarHBondContact O-CB 3.44Å; K104-K108 PolarHBondContact O-N 3.45Å; N105-K108 PolarHBondContact O-N 2.9Å; N105-K108 VanDerWaalsContact O-N 3.16Å; E106-K108 VanDerWaalsContact C-N 3.31Å; E106-K108 PolarHBondContact O-N 3.35Å; K108-L111 PolarHBondContact O-N 3.5Å; K108-E112 WeakPolarHBondContact CE-OE1 3.24Å; K108-E112 IonicContact NZ-OE1 3.85Å; K108-E112 WeakPolarHBondContact O-CB 3.49Å; K108-E112 WeakPolarHBondContact O-CG 3.48Å; K108-E112 PolarHBondContact O-N 3.04Å |
| 109 | E | 84.9 | Confident | 78.9 | Confident | 141 Ų | 141 | 107.4 Ų | 107.4 | 66% | 0.659 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.9 | -44.2 | 175.5 | -172.1 | 177.4 | 174 | 0 | 0 | 111.4 | N105 E106 L111 E112 A113 | N105-E109 WeakPolarHBondContact O-CB 3.28Å; N105-E109 PolarHBondContact O-N 2.89Å; E106-E109 PolarHBondContact O-N 3.31Å; E109-L111 VanDerWaalsContact C-N 3.33Å; E109-L111 PolarHBondContact O-N 2.97Å; E109-E112 PolarHBondContact O-N 3.26Å; E109-A113 WeakPolarHBondContact O-CB 3.44Å; E109-A113 PolarHBondContact O-N 3.18Å |
| 110 | L | 82.9 | Confident | 77 | Confident | 122 Ų | 122 | 108.4 Ų | 108.4 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.7 | -38.1 | 174.5 | -72 | 174.1 | 0 | 0 | 0 | 112.3 | E106 H114 | E106-L110 WeakPolarHBondContact O-CB 3.48Å; E106-L110 VanDerWaalsContact O-CG 3.25Å; E106-L110 WeakPolarHBondContact O-CG 3.3Å; E106-L110 PolarHBondContact O-N 3.41Å; L110-H114 VanDerWaalsContact O-CB 3.3Å; L110-H114 WeakPolarHBondContact O-CB 3.47Å; L110-H114 PolarHBondContact O-N 3.22Å |
| 111 | L | 82.8 | Confident | 75.3 | Confident | 121 Ų | 121 | 107.1 Ų | 107.1 | 63% | 0.634 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.6 | -40.3 | 177 | -175.9 | 67.5 | 0 | 0 | 0 | 111.4 | L107 K108 E109 H114 R115 | L107-L111 WeakPolarHBondContact O-CB 3.3Å; L107-L111 PolarHBondContact O-N 2.95Å; K108-L111 PolarHBondContact O-N 3.5Å; E109-L111 VanDerWaalsContact C-N 3.33Å; E109-L111 PolarHBondContact O-N 2.97Å; L111-H114 PolarHBondContact O-N 3.11Å; L111-R115 VanDerWaalsContact O-CB 3.32Å; L111-R115 WeakPolarHBondContact O-CB 3.31Å; L111-R115 PolarHBondContact O-N 2.91Å |
| 112 | E | 80.4 | Confident | 73.3 | Confident | 106 Ų | 106 | 110.1 Ų | 110.1 | 50% | 0.495 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.2 | -41.9 | 174.6 | -74.8 | 178.4 | -170.2 | 0 | 0 | 111.2 | K108 E109 R115 L116 | K108-E112 WeakPolarHBondContact CE-OE1 3.24Å; K108-E112 IonicContact NZ-OE1 3.85Å; K108-E112 WeakPolarHBondContact O-CB 3.49Å; K108-E112 WeakPolarHBondContact O-CG 3.48Å; K108-E112 PolarHBondContact O-N 3.04Å; E109-E112 PolarHBondContact O-N 3.26Å; E112-R115 PolarHBondContact O-N 3.37Å; E112-L116 WeakPolarHBondContact O-CG 3.29Å; E112-L116 PolarHBondContact O-N 3.25Å |
| 113 | A | 78.2 | Confident | 70.8 | Confident | 53 Ų | 53 | 115 Ų | 115 | 44% | 0.438 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.4 | -45.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E109 R115 L116 E117 | E109-A113 WeakPolarHBondContact O-CB 3.44Å; E109-A113 PolarHBondContact O-N 3.18Å; A113-R115 VanDerWaalsContact C-N 3.32Å; A113-R115 PolarHBondContact O-N 3.06Å; A113-L116 PolarHBondContact O-N 2.87Å; A113-E117 WeakPolarHBondContact O-CB 3.34Å; A113-E117 PolarHBondContact O-N 3.33Å |
| 114 | H | 70.8 | Confident | 68.8 | Low | 117 Ų | 117 | 117.4 Ų | 117.4 | 54% | 0.542 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.9 | -30.6 | 178.4 | -164.4 | 59.9 | 0 | 0 | 0 | 112.8 | L110 L111 E117 S118 | L110-H114 VanDerWaalsContact O-CB 3.3Å; L110-H114 WeakPolarHBondContact O-CB 3.47Å; L110-H114 PolarHBondContact O-N 3.22Å; L111-H114 PolarHBondContact O-N 3.11Å; H114-E117 IonicContact ND1-OE2 3.99Å; H114-S118 WeakPolarHBondContact O-CB 3.45Å; H114-S118 PolarHBondContact O-N 2.92Å; H114-S118 PolarHBondContact O-OG 2.93Å |
| 115 | R | 71.2 | Confident | 66.3 | Low | 188 Ų | 188 | 115.1 Ų | 115.1 | 71% | 0.709 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.3 | -38.3 | 173.7 | -161.9 | -176.3 | -179.9 | -160.4 | -0.7 | 111.4 | L111 E112 A113 S118 T119 | L111-R115 VanDerWaalsContact O-CB 3.32Å; L111-R115 WeakPolarHBondContact O-CB 3.31Å; L111-R115 PolarHBondContact O-N 2.91Å; E112-R115 PolarHBondContact O-N 3.37Å; A113-R115 VanDerWaalsContact C-N 3.32Å; A113-R115 PolarHBondContact O-N 3.06Å; R115-S118 WeakPolarHBondContact CA-OG 3.4Å; R115-S118 PolarHBondContact O-OG 3.17Å; R115-S118 VanDerWaalsContact O-OG 3.07Å; R115-T119 PolarHBondContact O-N 2.96Å; R115-T119 VanDerWaalsContact O-N 3.12Å; R115-T119 PolarHBondContact O-OG1 3.43Å; R115-T119 VanDerWaalsContact O-OG1 3.09Å |
| 116 | L | 67 | Low | 63.9 | Low | 121 Ų | 121 | 122.3 Ų | 122.3 | 63% | 0.634 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67 | -44.2 | 173.9 | -68.8 | 171.4 | 0 | 0 | 0 | 111.4 | E112 A113 S118 T119 E120 | E112-L116 WeakPolarHBondContact O-CG 3.29Å; E112-L116 PolarHBondContact O-N 3.25Å; A113-L116 PolarHBondContact O-N 2.87Å; L116-S118 PolarHBondContact O-N 2.91Å; L116-T119 WeakPolarHBondContact CA-OG1 3.45Å; L116-T119 PolarHBondContact O-N 2.92Å; L116-T119 PolarHBondContact O-OG1 3.38Å; L116-E120 PolarHBondContact O-N 2.87Å; L116-E120 VanDerWaalsContact O-N 3.09Å |
| 117 | E | 62.8 | Low | 61.2 | Low | 127 Ų | 127 | 120.1 Ų | 120.1 | 59% | 0.593 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.8 | -36.8 | 178.9 | -165.9 | 175.3 | -166.6 | 0 | 0 | 112.4 | A113 H114 E120 S121 | A113-E117 WeakPolarHBondContact O-CB 3.34Å; A113-E117 PolarHBondContact O-N 3.33Å; H114-E117 IonicContact ND1-OE2 3.99Å; E117-E120 PolarHBondContact O-N 3.49Å; E117-S121 PolarHBondContact O-N 3.32Å |
| 118 | S | 56.7 | Low | 59.4 | Low | 59 Ų | 59 | 120.4 Ų | 120.4 | 41% | 0.413 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -71.4 | -34.1 | 174.5 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | H114 R115 L116 E120 S121 | H114-S118 WeakPolarHBondContact O-CB 3.45Å; H114-S118 PolarHBondContact O-N 2.92Å; H114-S118 PolarHBondContact O-OG 2.93Å; R115-S118 WeakPolarHBondContact CA-OG 3.4Å; R115-S118 PolarHBondContact O-OG 3.17Å; R115-S118 VanDerWaalsContact O-OG 3.07Å; L116-S118 PolarHBondContact O-N 2.91Å; S118-E120 PolarHBondContact O-N 3.25Å; S118-S121 PolarHBondContact O-N 3.19Å; S118-S121 PolarHBondContact O-OG 3.35Å |
| 119 | T | 56.7 | Low | 57 | Low | 100 Ų | 100 | 122 Ų | 122 | 61% | 0.613 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.7 | -24.4 | 169.6 | 47 | 0 | 0 | 0 | 0 | 113.2 | R115 L116 | R115-T119 PolarHBondContact O-N 2.96Å; R115-T119 VanDerWaalsContact O-N 3.12Å; R115-T119 PolarHBondContact O-OG1 3.43Å; R115-T119 VanDerWaalsContact O-OG1 3.09Å; L116-T119 WeakPolarHBondContact CA-OG1 3.45Å; L116-T119 PolarHBondContact O-N 2.92Å; L116-T119 PolarHBondContact O-OG1 3.38Å |
| 120 | E | 50.5 | Low | 54.7 | Low | 143 Ų | 143 | 123.2 Ų | 123.2 | 67% | 0.668 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -83.5 | -28.3 | 176.8 | -161.6 | 169.7 | -171.6 | 0 | 0 | 112.8 | L116 E117 S118 S122 H123 | L116-E120 PolarHBondContact O-N 2.87Å; L116-E120 VanDerWaalsContact O-N 3.09Å; E117-E120 PolarHBondContact O-N 3.49Å; S118-E120 PolarHBondContact O-N 3.25Å; E120-S122 PolarHBondContact O-N 3.1Å; E120-H123 PolarHBondContact O-N 2.87Å |
| 121 | S | 49.4 | Very low | 52.4 | Low | 80 Ų | 80 | 125.1 Ų | 125.1 | 56% | 0.559 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -65.2 | -7.4 | -179.9 | 72 | 0 | 0 | 0 | 0 | 115.6 | E117 S118 H123 | E117-S121 PolarHBondContact O-N 3.32Å; S118-S121 PolarHBondContact O-N 3.19Å; S118-S121 PolarHBondContact O-OG 3.35Å; S121-H123 VanDerWaalsContact C-N 3.26Å; S121-H123 PolarHBondContact O-N 3.42Å |
| 122 | S | 42.2 | Very low | 50.2 | Low | 114 Ų | 114 | 126.6 Ų | 126.6 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -74.8 | -7.6 | 168.4 | 179.5 | 0 | 0 | 0 | 0 | 113.9 | E120 | E120-S122 PolarHBondContact O-N 3.1Š|
| 123 | H | 35 | Very low | 48 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 69% | 0.694 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -129.9 | 24.6 | -175.4 | -167.6 | -89.5 | 0 | 0 | 0 | 113.7 | E120 S121 V125 | E120-H123 PolarHBondContact O-N 2.87Å; S121-H123 VanDerWaalsContact C-N 3.26Å; S121-H123 PolarHBondContact O-N 3.42Å; H123-V125 VanDerWaalsContact C-N 3.25Å; H123-V125 PolarHBondContact O-N 3.25Å |
| 124 | V | 43.4 | Very low | 46.9 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 78% | 0.782 | 70% | 0.702 | S | S | * | * | trans | -73.2 | 83.4 | 173.7 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 125 | V | 34.7 | Very low | 45.9 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 62% | 0.624 | 71% | 0.706 | S | S | * | * | trans | -87.5 | 118 | 163.3 | 169.8 | 0 | 0 | 0 | 0 | 108.1 | H123 | H123-V125 VanDerWaalsContact C-N 3.25Å; H123-V125 PolarHBondContact O-N 3.25Å | ||
| 126 | R | 35.2 | Very low | 45 | Very low | 243 Ų | 243 | 125.5 Ų | 125.5 | 92% | 0.917 | 71% | 0.705 | S | S | * | * | trans | 51.8 | 118.8 | 155.4 | -81.5 | 178.4 | 163.4 | 153.8 | -4.1 | 119.5 | ||||
| 127 | G | 30.4 | Very low | 44.5 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | trans | 162.6 | 100.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 128 | P | 46.4 | Very low | 44.3 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | trans | -86.5 | 165.1 | 171.9 | 36.3 | -30.5 | 0 | 0 | 0 | 110.9 | ||||
| 129 | L | 34.9 | Very low | 44.5 | Very low | 153 Ų | 153 | 123 Ų | 123 | 80% | 0.801 | 70% | 0.698 | S | S | * | * | trans | 86.7 | 94.3 | 170.9 | -59 | 159 | 0 | 0 | 0 | 116.5 | ||||
| 130 | L | 36.3 | Very low | 45.3 | Very low | 167 Ų | 167 | 121 Ų | 121 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | -161.1 | 114.2 | 116 | -111.1 | 163 | 0 | 0 | 0 | 108.4 | E132 | L130-E132 VanDerWaalsContact C-N 3.25Å; L130-E132 PolarHBondContact O-N 3.49Å | |||
| 131 | L | 36.4 | Very low | 46.4 | Very low | 161 Ų | 161 | 120.6 Ų | 120.6 | 84% | 0.843 | 68% | 0.681 | S | S | * | * | trans | -63.1 | 91.3 | 166.2 | -76.9 | 94.3 | 0 | 0 | 0 | 107.7 | ||||
| 132 | E | 35.5 | Very low | 47.9 | Very low | 152 Ų | 152 | 123 Ų | 123 | 71% | 0.71 | 68% | 0.684 | S | S | * | * | trans | -70.3 | 126.4 | 159.6 | -148.1 | -169.7 | 154.5 | 0 | 0 | 106.7 | L130 | L130-E132 VanDerWaalsContact C-N 3.25Å; L130-E132 PolarHBondContact O-N 3.49Å | ||
| 133 | P | 35.2 | Very low | 49.6 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 68% | 0.682 | 68% | 0.677 | S | S | * | * | trans | -58.1 | 130.9 | -178.8 | 22.5 | -32.3 | 0 | 0 | 0 | 110 | S135 | P133-S135 VanDerWaalsContact C-N 3.33Å; P133-S135 PolarHBondContact O-N 3.26Å | ||
| 134 | P | 53.8 | Low | 51.8 | Low | 117 Ų | 117 | 124.8 Ų | 124.8 | 76% | 0.76 | 67% | 0.673 | S | S | * | * | trans | -79.1 | 81.9 | -175.9 | 32.3 | -33.3 | 0 | 0 | 0 | 109.3 | ||||
| 135 | S | 51.3 | Low | 53.8 | Low | 90 Ų | 90 | 123 Ų | 123 | 63% | 0.629 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -115.8 | -23.4 | -176.9 | -162.7 | 0 | 0 | 0 | 0 | 116.6 | P133 | P133-S135 VanDerWaalsContact C-N 3.33Å; P133-S135 PolarHBondContact O-N 3.26Å |
| 136 | D | 52.3 | Low | 56.2 | Low | 130 Ų | 130 | 124 Ų | 124 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -120.7 | -34.3 | -178.2 | -79 | -24.9 | 0 | 0 | 0 | 114.7 | T140 | D136-T140 WeakPolarHBondContact O-CG2 3.25Å; D136-T140 PolarHBondContact O-N 3.38Å; D136-T140 PolarHBondContact O-OG1 3.41Å |
| 137 | K | 55.3 | Low | 58.5 | Low | 140 Ų | 140 | 117.6 Ų | 117.6 | 61% | 0.609 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.3 | -37.8 | -177.5 | -70.3 | 176.6 | -176.3 | 164.8 | 0 | 112.4 | A139 T140 F141 | K137-A139 PolarHBondContact O-N 3.48Å; K137-T140 WeakPolarHBondContact CA-OG1 3.43Å; K137-T140 PolarHBondContact O-N 2.88Å; K137-T140 PolarHBondContact O-OG1 2.91Å; K137-F141 HydrophobicContact CB-CD2 4.27Å; K137-F141 HydrophobicContact CB-CE2 4.25Å; K137-F141 WeakPolarHBondContact O-CB 3.32Å; K137-F141 WeakPolarHBondContact O-CD2 3.25Å; K137-F141 PolarHBondContact O-N 3.49Å |
| 138 | S | 58.4 | Low | 61.2 | Low | 62 Ų | 62 | 119 Ų | 119 | 43% | 0.434 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.4 | -40.4 | -179.7 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | F141 Q142 | S138-F141 PolarHBondContact O-N 2.94Å; S138-Q142 VanDerWaalsContact O-CB 3.3Å; S138-Q142 WeakPolarHBondContact O-CB 3.36Å; S138-Q142 PolarHBondContact O-N 2.86Å |
| 139 | A | 61.4 | Low | 63.3 | Low | 53 Ų | 53 | 118.3 Ų | 118.3 | 44% | 0.438 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.1 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | K137 Q142 E143 | K137-A139 PolarHBondContact O-N 3.48Å; A139-Q142 PolarHBondContact O-N 3.39Å; A139-E143 VanDerWaalsContact O-CB 3.25Å; A139-E143 WeakPolarHBondContact O-CB 3.3Å; A139-E143 PolarHBondContact O-N 3.28Å |
| 140 | T | 72.8 | Confident | 66 | Low | 56 Ų | 56 | 112.6 Ų | 112.6 | 34% | 0.344 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.6 | -36.8 | 177 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | D136 K137 R144 | D136-T140 WeakPolarHBondContact O-CG2 3.25Å; D136-T140 PolarHBondContact O-N 3.38Å; D136-T140 PolarHBondContact O-OG1 3.41Å; K137-T140 WeakPolarHBondContact CA-OG1 3.43Å; K137-T140 PolarHBondContact O-N 2.88Å; K137-T140 PolarHBondContact O-OG1 2.91Å; T140-R144 VanDerWaalsContact O-CB 3.25Å; T140-R144 WeakPolarHBondContact O-CB 3.42Å; T140-R144 WeakPolarHBondContact O-CD 3.4Å; T140-R144 WeakPolarHBondContact O-CG 3.33Å; T140-R144 PolarHBondContact O-N 3.46Å |
| 141 | F | 74.4 | Confident | 68.5 | Low | 135 Ų | 135 | 108 Ų | 108 | 59% | 0.592 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.8 | -43 | 173.3 | -83.3 | -68.5 | 0 | 0 | 0 | 112.3 | K137 S138 R144 N145 | K137-F141 HydrophobicContact CB-CD2 4.27Å; K137-F141 HydrophobicContact CB-CE2 4.25Å; K137-F141 WeakPolarHBondContact O-CB 3.32Å; K137-F141 WeakPolarHBondContact O-CD2 3.25Å; K137-F141 PolarHBondContact O-N 3.49Å; S138-F141 PolarHBondContact O-N 2.94Å; F141-R144 PolarHBondContact O-N 2.82Å; F141-N145 WeakPolarHBondContact O-CB 3.32Å; F141-N145 PolarHBondContact O-N 3.48Å |
| 142 | Q | 80 | Confident | 71.1 | Confident | 132 Ų | 132 | 105 Ų | 105 | 62% | 0.617 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.9 | -44 | 177.1 | -175.7 | 176.9 | -6.2 | 0 | 0 | 111 | S138 A139 N145 M146 | S138-Q142 VanDerWaalsContact O-CB 3.3Å; S138-Q142 WeakPolarHBondContact O-CB 3.36Å; S138-Q142 PolarHBondContact O-N 2.86Å; A139-Q142 PolarHBondContact O-N 3.39Å; Q142-N145 PolarHBondContact O-N 3.41Å; Q142-M146 WeakPolarHBondContact O-CG 3.49Å; Q142-M146 PolarHBondContact O-N 3.33Å |
| 143 | E | 79.7 | Confident | 73.8 | Confident | 137 Ų | 137 | 105 Ų | 105 | 64% | 0.64 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.7 | -46.1 | 174.9 | -174 | 175.7 | -167.1 | 0 | 0 | 111.4 | A139 N145 M146 H147 | A139-E143 VanDerWaalsContact O-CB 3.25Å; A139-E143 WeakPolarHBondContact O-CB 3.3Å; A139-E143 PolarHBondContact O-N 3.28Å; E143-N145 VanDerWaalsContact C-N 3.33Å; E143-N145 PolarHBondContact O-N 3.36Å; E143-M146 PolarHBondContact O-N 2.96Å; E143-H147 WeakPolarHBondContact O-CB 3.48Å; E143-H147 PolarHBondContact O-N 2.92Å |
| 144 | R | 79.4 | Confident | 76.5 | Confident | 164 Ų | 164 | 106.6 Ų | 106.6 | 62% | 0.619 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.1 | -41.6 | 174.4 | -75.7 | 171.7 | -174.1 | -161.8 | 2.2 | 112 | T140 F141 H147 L148 | T140-R144 VanDerWaalsContact O-CB 3.25Å; T140-R144 WeakPolarHBondContact O-CB 3.42Å; T140-R144 WeakPolarHBondContact O-CD 3.4Å; T140-R144 WeakPolarHBondContact O-CG 3.33Å; T140-R144 PolarHBondContact O-N 3.46Å; F141-R144 PolarHBondContact O-N 2.82Å; R144-H147 PolarHBondContact O-N 2.88Å; R144-L148 WeakPolarHBondContact O-CB 3.36Å; R144-L148 WeakPolarHBondContact O-CG 3.36Å; R144-L148 PolarHBondContact O-N 3.3Å |
| 145 | N | 85.6 | Confident | 78.3 | Confident | 90 Ų | 90 | 106 Ų | 106 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 177.9 | -167 | 22 | 0 | 0 | 0 | 111.5 | F141 Q142 E143 H147 L148 Q149 | F141-N145 WeakPolarHBondContact O-CB 3.32Å; F141-N145 PolarHBondContact O-N 3.48Å; Q142-N145 PolarHBondContact O-N 3.41Å; E143-N145 VanDerWaalsContact C-N 3.33Å; E143-N145 PolarHBondContact O-N 3.36Å; N145-H147 VanDerWaalsContact C-N 3.33Å; N145-H147 PolarHBondContact O-N 2.92Å; N145-L148 PolarHBondContact O-N 2.83Å; N145-Q149 WeakPolarHBondContact O-CB 3.33Å; N145-Q149 WeakPolarHBondContact O-CG 3.34Å; N145-Q149 PolarHBondContact O-N 2.91Å |
| 146 | M | 84.7 | Confident | 80.2 | Confident | 124 Ų | 124 | 108 Ų | 108 | 61% | 0.611 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.9 | -40.4 | 172.7 | -68.9 | -142.2 | -60.8 | 0 | 0 | 111.9 | Q142 E143 Q149 S150 | Q142-M146 WeakPolarHBondContact O-CG 3.49Å; Q142-M146 PolarHBondContact O-N 3.33Å; E143-M146 PolarHBondContact O-N 2.96Å; M146-Q149 PolarHBondContact O-N 3.21Å; M146-S150 WeakPolarHBondContact O-CB 3.32Å; M146-S150 PolarHBondContact O-N 3.37Å |
| 147 | H | 84 | Confident | 82 | Confident | 109 Ų | 109 | 106.4 Ų | 106.4 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 177.1 | -169.6 | -102.3 | 0 | 0 | 0 | 111.4 | E143 R144 N145 S150 L151 | E143-H147 WeakPolarHBondContact O-CB 3.48Å; E143-H147 PolarHBondContact O-N 2.92Å; R144-H147 PolarHBondContact O-N 2.88Å; N145-H147 VanDerWaalsContact C-N 3.33Å; N145-H147 PolarHBondContact O-N 2.92Å; H147-S150 WeakPolarHBondContact O-CB 3.39Å; H147-S150 PolarHBondContact O-N 2.97Å; H147-S150 VanDerWaalsContact O-N 3.14Å; H147-S150 PolarHBondContact O-OG 2.88Å; H147-L151 WeakPolarHBondContact O-CG 3.4Å; H147-L151 PolarHBondContact O-N 3.14Å |
| 148 | L | 87.8 | Confident | 83.8 | Confident | 103 Ų | 103 | 104.1 Ų | 104.1 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 174.6 | -77.2 | 169.3 | 0 | 0 | 0 | 111.8 | R144 N145 S150 L151 V152 | R144-L148 WeakPolarHBondContact O-CB 3.36Å; R144-L148 WeakPolarHBondContact O-CG 3.36Å; R144-L148 PolarHBondContact O-N 3.3Å; N145-L148 PolarHBondContact O-N 2.83Å; L148-S150 VanDerWaalsContact C-N 3.26Å; L148-S150 PolarHBondContact O-N 2.86Å; L148-L151 PolarHBondContact O-N 2.95Å; L148-V152 WeakPolarHBondContact O-CG2 3.32Å; L148-V152 PolarHBondContact O-N 2.9Å |
| 149 | Q | 90.1 | Very high | 85.3 | Confident | 104 Ų | 104 | 105.4 Ų | 105.4 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -37.1 | 175.1 | -73.1 | -175.1 | 11.2 | 0 | 0 | 112.1 | N145 M146 R153 | N145-Q149 WeakPolarHBondContact O-CB 3.33Å; N145-Q149 WeakPolarHBondContact O-CG 3.34Å; N145-Q149 PolarHBondContact O-N 2.91Å; M146-Q149 PolarHBondContact O-N 3.21Å; Q149-R153 WeakPolarHBondContact O-CB 3.3Å; Q149-R153 PolarHBondContact O-N 3.45Å |
| 150 | S | 90.8 | Very high | 86.6 | Confident | 34 Ų | 34 | 106.9 Ų | 106.9 | 24% | 0.238 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 175.5 | 87.3 | 0 | 0 | 0 | 0 | 112.3 | M146 H147 L148 R153 K154 | M146-S150 WeakPolarHBondContact O-CB 3.32Å; M146-S150 PolarHBondContact O-N 3.37Å; H147-S150 WeakPolarHBondContact O-CB 3.39Å; H147-S150 PolarHBondContact O-N 2.97Å; H147-S150 VanDerWaalsContact O-N 3.14Å; H147-S150 PolarHBondContact O-OG 2.88Å; L148-S150 VanDerWaalsContact C-N 3.26Å; L148-S150 PolarHBondContact O-N 2.86Å; S150-R153 PolarHBondContact O-N 3.36Å; S150-K154 WeakPolarHBondContact O-CG 3.32Å; S150-K154 PolarHBondContact O-N 3.41Å |
| 151 | L | 90.2 | Very high | 87.3 | Confident | 70 Ų | 70 | 107.2 Ų | 107.2 | 37% | 0.366 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 177.1 | -74.7 | 175.4 | 0 | 0 | 0 | 111.2 | H147 L148 R153 K154 L155 | H147-L151 WeakPolarHBondContact O-CG 3.4Å; H147-L151 PolarHBondContact O-N 3.14Å; L148-L151 PolarHBondContact O-N 2.95Å; L151-R153 VanDerWaalsContact C-N 3.3Å; L151-R153 PolarHBondContact O-N 2.94Å; L151-K154 PolarHBondContact O-N 3.49Å; L151-L155 WeakPolarHBondContact O-CB 3.42Å; L151-L155 WeakPolarHBondContact O-CG 3.32Å; L151-L155 PolarHBondContact O-N 3.39Å |
| 152 | V | 91.2 | Very high | 87.7 | Confident | 97 Ų | 97 | 104.5 Ų | 104.5 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.6 | -42.9 | 174.3 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | L148 L155 H156 | L148-V152 WeakPolarHBondContact O-CG2 3.32Å; L148-V152 PolarHBondContact O-N 2.9Å; V152-L155 PolarHBondContact O-N 3.39Å; V152-H156 WeakPolarHBondContact O-CB 3.44Å; V152-H156 PolarHBondContact O-N 2.89Å |
| 153 | R | 91.9 | Very high | 87.9 | Confident | 154 Ų | 154 | 103.8 Ų | 103.8 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -43 | 176.3 | -165 | -178.7 | -68.1 | 114.7 | -1.4 | 112.2 | Q149 S150 L151 H156 I157 | Q149-R153 WeakPolarHBondContact O-CB 3.3Å; Q149-R153 PolarHBondContact O-N 3.45Å; S150-R153 PolarHBondContact O-N 3.36Å; L151-R153 VanDerWaalsContact C-N 3.3Å; L151-R153 PolarHBondContact O-N 2.94Å; R153-H156 PolarHBondContact O-N 3.38Å; R153-I157 HydrophobicContact CG-CD1 4.39Å; R153-I157 WeakPolarHBondContact O-CG1 3.4Å; R153-I157 PolarHBondContact O-N 2.82Å; R153-I157 VanDerWaalsContact O-N 3.08Å |
| 154 | K | 91.7 | Very high | 88.1 | Confident | 138 Ų | 138 | 104.8 Ų | 104.8 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 175.8 | -75.8 | 176.7 | -178.9 | 179.9 | 0 | 112 | S150 L151 H156 I157 M158 | S150-K154 WeakPolarHBondContact O-CG 3.32Å; S150-K154 PolarHBondContact O-N 3.41Å; L151-K154 PolarHBondContact O-N 3.49Å; K154-H156 VanDerWaalsContact C-N 3.33Å; K154-H156 PolarHBondContact O-N 3.02Å; K154-I157 PolarHBondContact O-N 2.91Å; K154-M158 WeakPolarHBondContact O-CB 3.38Å; K154-M158 PolarHBondContact O-N 2.91Å |
| 155 | L | 91.4 | Very high | 88.2 | Confident | 105 Ų | 105 | 102.7 Ų | 102.7 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 175.8 | -79.9 | 167 | 0 | 0 | 0 | 111.8 | L151 V152 M158 N159 | L151-L155 WeakPolarHBondContact O-CB 3.42Å; L151-L155 WeakPolarHBondContact O-CG 3.32Å; L151-L155 PolarHBondContact O-N 3.39Å; V152-L155 PolarHBondContact O-N 3.39Å; L155-M158 HydrophobicContact CD2-CE 3.84Å; L155-M158 PolarHBondContact O-N 3.26Å; L155-N159 WeakPolarHBondContact O-CB 3.35Å; L155-N159 PolarHBondContact O-N 2.77Å |
| 156 | H | 91.3 | Very high | 88 | Confident | 132 Ų | 132 | 102.6 Ų | 102.6 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -46.7 | 177.1 | -167 | 76 | 0 | 0 | 0 | 112.1 | V152 R153 K154 M158 N159 E160 | V152-H156 WeakPolarHBondContact O-CB 3.44Å; V152-H156 PolarHBondContact O-N 2.89Å; R153-H156 PolarHBondContact O-N 3.38Å; K154-H156 VanDerWaalsContact C-N 3.33Å; K154-H156 PolarHBondContact O-N 3.02Å; H156-M158 VanDerWaalsContact C-N 3.34Å; H156-M158 PolarHBondContact O-N 3.18Å; H156-N159 PolarHBondContact O-N 3.18Å; H156-E160 PolarHBondContact O-N 3.47Å |
| 157 | I | 90.7 | Very high | 87.6 | Confident | 96 Ų | 96 | 100.2 Ų | 100.2 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 176.5 | -66.3 | 165.5 | 0 | 0 | 0 | 110.7 | R153 K154 N159 E160 T161 | R153-I157 HydrophobicContact CG-CD1 4.39Å; R153-I157 WeakPolarHBondContact O-CG1 3.4Å; R153-I157 PolarHBondContact O-N 2.82Å; R153-I157 VanDerWaalsContact O-N 3.08Å; K154-I157 PolarHBondContact O-N 2.91Å; I157-N159 VanDerWaalsContact C-N 3.33Å; I157-N159 PolarHBondContact O-N 3.28Å; I157-E160 PolarHBondContact O-N 2.96Å; I157-T161 WeakPolarHBondContact O-CG2 3.08Å; I157-T161 PolarHBondContact O-N 2.95Å; I157-T161 PolarHBondContact O-OG1 3.23Å |
| 158 | M | 91.2 | Very high | 87.1 | Confident | 92 Ų | 92 | 100.2 Ų | 100.2 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 178.2 | -172.6 | -179.2 | 72 | 0 | 0 | 112.2 | K154 L155 H156 T161 I162 | K154-M158 WeakPolarHBondContact O-CB 3.38Å; K154-M158 PolarHBondContact O-N 2.91Å; L155-M158 HydrophobicContact CD2-CE 3.84Å; L155-M158 PolarHBondContact O-N 3.26Å; H156-M158 VanDerWaalsContact C-N 3.34Å; H156-M158 PolarHBondContact O-N 3.18Å; M158-T161 WeakPolarHBondContact CA-OG1 3.13Å; M158-T161 PolarHBondContact O-N 3.14Å; M158-T161 PolarHBondContact O-OG1 3.17Å; M158-I162 HydrophobicContact CG-CD1 4.11Å; M158-I162 WeakPolarHBondContact O-CD1 3.29Å; M158-I162 VanDerWaalsContact O-CG1 3.24Å; M158-I162 WeakPolarHBondContact O-CG1 3.35Å; M158-I162 PolarHBondContact O-N 3.41Å |
| 159 | N | 90.3 | Very high | 86.5 | Confident | 89 Ų | 89 | 98.2 Ų | 98.2 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 176 | -166.7 | 27.5 | 0 | 0 | 0 | 111.2 | L155 H156 I157 T161 I162 Q163 | L155-N159 WeakPolarHBondContact O-CB 3.35Å; L155-N159 PolarHBondContact O-N 2.77Å; H156-N159 PolarHBondContact O-N 3.18Å; I157-N159 VanDerWaalsContact C-N 3.33Å; I157-N159 PolarHBondContact O-N 3.28Å; N159-T161 PolarHBondContact O-N 3.49Å; N159-I162 PolarHBondContact O-N 3.11Å; N159-Q163 VanDerWaalsContact O-CG 3.28Å; N159-Q163 WeakPolarHBondContact O-CG 3.27Å; N159-Q163 PolarHBondContact O-N 3.16Å |
| 160 | E | 89.5 | Confident | 85.3 | Confident | 83 Ų | 83 | 98.8 Ų | 98.8 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 176.1 | -164.6 | -173.1 | 162.4 | 0 | 0 | 112.2 | H156 I157 Q163 R164 | H156-E160 PolarHBondContact O-N 3.47Å; I157-E160 PolarHBondContact O-N 2.96Å; E160-Q163 PolarHBondContact O-N 3.22Å; E160-R164 WeakPolarHBondContact O-CG 3.46Å; E160-R164 PolarHBondContact O-N 3.41Å; E160-R164 IonicContact OE1-CZ 3.26Å; E160-R164 VanDerWaalsContact OE1-CZ 3.26Å; E160-R164 IonicContact OE1-NE 3.86Å; E160-R164 IonicContact OE1-NH1 3.84Å; E160-R164 IonicContact OE1-NH2 2.65Å; E160-R164 PolarHBondContact OE1-NH2 3.47Å |
| 161 | T | 87.7 | Confident | 83.8 | Confident | 63 Ų | 63 | 105.5 Ų | 105.5 | 39% | 0.387 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.9 | -39.5 | 176.8 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | I157 M158 N159 Q163 R164 L165 | I157-T161 WeakPolarHBondContact O-CG2 3.08Å; I157-T161 PolarHBondContact O-N 2.95Å; I157-T161 PolarHBondContact O-OG1 3.23Å; M158-T161 WeakPolarHBondContact CA-OG1 3.13Å; M158-T161 PolarHBondContact O-N 3.14Å; M158-T161 PolarHBondContact O-OG1 3.17Å; N159-T161 PolarHBondContact O-N 3.49Å; T161-Q163 VanDerWaalsContact C-N 3.34Å; T161-Q163 PolarHBondContact O-N 3.43Å; T161-R164 PolarHBondContact O-N 3.23Å; T161-L165 WeakPolarHBondContact O-CB 3.2Å; T161-L165 WeakPolarHBondContact O-CD1 3.34Å; T161-L165 PolarHBondContact O-N 3.29Å |
| 162 | I | 82.8 | Confident | 82.5 | Confident | 79 Ų | 79 | 107.2 Ų | 107.2 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 174 | -68.6 | 166 | 0 | 0 | 0 | 110.2 | M158 N159 R164 L165 V166 | M158-I162 HydrophobicContact CG-CD1 4.11Å; M158-I162 WeakPolarHBondContact O-CD1 3.29Å; M158-I162 VanDerWaalsContact O-CG1 3.24Å; M158-I162 WeakPolarHBondContact O-CG1 3.35Å; M158-I162 PolarHBondContact O-N 3.41Å; N159-I162 PolarHBondContact O-N 3.11Å; I162-R164 VanDerWaalsContact C-N 3.33Å; I162-R164 PolarHBondContact O-N 2.93Å; I162-L165 PolarHBondContact O-N 3.49Å; I162-V166 HydrophobicContact CG2-CG2 4.21Å; I162-V166 VanDerWaalsContact O-CG2 3.28Å; I162-V166 WeakPolarHBondContact O-CG2 3.34Å; I162-V166 PolarHBondContact O-N 3.2Å |
| 163 | Q | 84.6 | Confident | 81.3 | Confident | 117 Ų | 117 | 108.2 Ų | 108.2 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 177.6 | -68.9 | -66.2 | -21.8 | 0 | 0 | 112.4 | N159 E160 T161 S167 | N159-Q163 VanDerWaalsContact O-CG 3.28Å; N159-Q163 WeakPolarHBondContact O-CG 3.27Å; N159-Q163 PolarHBondContact O-N 3.16Å; E160-Q163 PolarHBondContact O-N 3.22Å; T161-Q163 VanDerWaalsContact C-N 3.34Å; T161-Q163 PolarHBondContact O-N 3.43Å; Q163-S167 WeakPolarHBondContact O-CB 3.44Å; Q163-S167 PolarHBondContact O-N 2.92Å; Q163-S167 PolarHBondContact O-OG 3.08Å |
| 164 | R | 82.6 | Confident | 80.1 | Confident | 158 Ų | 158 | 105.2 Ų | 105.2 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.4 | -40.5 | 173.2 | -74.5 | -177.8 | 179.7 | 158.9 | 7.1 | 112.9 | E160 T161 I162 S167 H168 | E160-R164 WeakPolarHBondContact O-CG 3.46Å; E160-R164 PolarHBondContact O-N 3.41Å; E160-R164 IonicContact OE1-CZ 3.26Å; E160-R164 VanDerWaalsContact OE1-CZ 3.26Å; E160-R164 IonicContact OE1-NE 3.86Å; E160-R164 IonicContact OE1-NH1 3.84Å; E160-R164 IonicContact OE1-NH2 2.65Å; E160-R164 PolarHBondContact OE1-NH2 3.47Å; T161-R164 PolarHBondContact O-N 3.23Å; I162-R164 VanDerWaalsContact C-N 3.33Å; I162-R164 PolarHBondContact O-N 2.93Å; R164-S167 WeakPolarHBondContact CA-OG 3.48Å; R164-S167 PolarHBondContact O-OG 3.37Å; R164-H168 VanDerWaalsContact O-CB 3.31Å; R164-H168 WeakPolarHBondContact O-CB 3.3Å; R164-H168 PolarHBondContact O-N 3.39Å |
| 165 | L | 82.3 | Confident | 78.4 | Confident | 120 Ų | 120 | 101 Ų | 101 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.2 | -42.1 | 177.1 | -82.9 | 151.8 | 0 | 0 | 0 | 112 | T161 I162 H168 S169 | T161-L165 WeakPolarHBondContact O-CB 3.2Å; T161-L165 WeakPolarHBondContact O-CD1 3.34Å; T161-L165 PolarHBondContact O-N 3.29Å; I162-L165 PolarHBondContact O-N 3.49Å; L165-H168 PolarHBondContact O-N 2.89Å; L165-S169 VanDerWaalsContact O-CB 3.3Å; L165-S169 WeakPolarHBondContact O-CB 3.38Å; L165-S169 PolarHBondContact O-N 3.11Å |
| 166 | V | 81.5 | Confident | 76.8 | Confident | 87 Ų | 87 | 99.1 Ų | 99.1 | 53% | 0.527 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 178.1 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | I162 H168 S169 H170 | I162-V166 HydrophobicContact CG2-CG2 4.21Å; I162-V166 VanDerWaalsContact O-CG2 3.28Å; I162-V166 WeakPolarHBondContact O-CG2 3.34Å; I162-V166 PolarHBondContact O-N 3.2Å; V166-H168 PolarHBondContact O-N 3.49Å; V166-S169 PolarHBondContact O-N 3.28Å; V166-H170 WeakPolarHBondContact O-CB 3.5Å; V166-H170 PolarHBondContact O-N 2.74Å |
| 167 | S | 76.3 | Confident | 74.9 | Confident | 75 Ų | 75 | 100.2 Ų | 100.2 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 176.6 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | Q163 R164 W171 | Q163-S167 WeakPolarHBondContact O-CB 3.44Å; Q163-S167 PolarHBondContact O-N 2.92Å; Q163-S167 PolarHBondContact O-OG 3.08Å; R164-S167 WeakPolarHBondContact CA-OG 3.48Å; R164-S167 PolarHBondContact O-OG 3.37Å; S167-W171 PolarHBondContact O-N 3.4Å; S167-W171 VanDerWaalsContact O-N 3.09Å |
| 168 | H | 72.7 | Confident | 73.2 | Confident | 109 Ų | 109 | 101.1 Ų | 101.1 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 174.7 | -165.8 | -82.4 | 0 | 0 | 0 | 112.6 | R164 L165 V166 W171 M172 | R164-H168 VanDerWaalsContact O-CB 3.31Å; R164-H168 WeakPolarHBondContact O-CB 3.3Å; R164-H168 PolarHBondContact O-N 3.39Å; L165-H168 PolarHBondContact O-N 2.89Å; V166-H168 PolarHBondContact O-N 3.49Å; H168-W171 PolarHBondContact O-N 3.23Å; H168-M172 WeakPolarHBondContact O-CG 3.24Å; H168-M172 PolarHBondContact O-N 2.72Å |
| 169 | S | 74.7 | Confident | 71.1 | Confident | 61 Ų | 61 | 104.3 Ų | 104.3 | 43% | 0.427 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 176.2 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | L165 V166 W171 M172 Q173 | L165-S169 VanDerWaalsContact O-CB 3.3Å; L165-S169 WeakPolarHBondContact O-CB 3.38Å; L165-S169 PolarHBondContact O-N 3.11Å; V166-S169 PolarHBondContact O-N 3.28Å; S169-W171 VanDerWaalsContact C-N 3.3Å; S169-W171 PolarHBondContact O-N 2.77Å; S169-M172 PolarHBondContact O-N 2.92Å; S169-Q173 PolarHBondContact O-N 3.48Å |
| 170 | H | 66.7 | Low | 69 | Low | 116 Ų | 116 | 109.9 Ų | 109.9 | 54% | 0.537 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 176.2 | -169.6 | -88 | 0 | 0 | 0 | 111.9 | V166 N174 | V166-H170 WeakPolarHBondContact O-CB 3.5Å; V166-H170 PolarHBondContact O-N 2.74Å; H170-N174 PolarHBondContact CE1-ND2 3.35Å; H170-N174 VanDerWaalsContact CE1-ND2 3.34Å; H170-N174 PolarHBondContact ND1-ND2 3.29Å; H170-N174 VanDerWaalsContact O-CG 3.26Å; H170-N174 PolarHBondContact O-N 3.2Å; H170-N174 PolarHBondContact O-ND2 2.95Å |
| 171 | W | 59 | Low | 67.1 | Low | 174 Ų | 174 | 111.9 Ų | 111.9 | 66% | 0.659 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.6 | -42.5 | 173.1 | -175.8 | 82.7 | 0 | 0 | 0 | 112.5 | S167 H168 S169 A175 | S167-W171 PolarHBondContact O-N 3.4Å; S167-W171 VanDerWaalsContact O-N 3.09Å; H168-W171 PolarHBondContact O-N 3.23Å; S169-W171 VanDerWaalsContact C-N 3.3Å; S169-W171 PolarHBondContact O-N 2.77Å; W171-A175 PolarHBondContact O-N 3.49Å |
| 172 | M | 63 | Low | 65 | Low | 106 Ų | 106 | 116.2 Ų | 116.2 | 52% | 0.522 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.7 | -39.2 | 179.2 | -72.2 | -161.6 | 78.1 | 0 | 0 | 113.5 | H168 S169 A175 S176 | H168-M172 WeakPolarHBondContact O-CG 3.24Å; H168-M172 PolarHBondContact O-N 2.72Å; S169-M172 PolarHBondContact O-N 2.92Å; M172-A175 PolarHBondContact O-N 3.32Å; M172-S176 PolarHBondContact O-N 2.83Å; M172-S176 PolarHBondContact O-OG 2.99Å |
| 173 | Q | 65.9 | Low | 63 | Low | 118 Ų | 118 | 117.9 Ų | 117.9 | 55% | 0.551 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.9 | -47.8 | 176.3 | -83.2 | -179.8 | -26.3 | 0 | 0 | 110.9 | S169 A175 S176 E177 | S169-Q173 PolarHBondContact O-N 3.48Å; Q173-A175 PolarHBondContact O-N 3.2Å; Q173-S176 PolarHBondContact O-N 3.25Å; Q173-S176 VanDerWaalsContact O-N 3.11Å; Q173-S176 PolarHBondContact O-OG 2.85Å; Q173-E177 PolarHBondContact O-N 3.33Å |
| 174 | N | 66.4 | Low | 60.9 | Low | 91 Ų | 91 | 119.5 Ų | 119.5 | 49% | 0.487 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.3 | -30.9 | 177.2 | -69.3 | -6.5 | 0 | 0 | 0 | 113.1 | H170 | H170-N174 PolarHBondContact CE1-ND2 3.35Å; H170-N174 VanDerWaalsContact CE1-ND2 3.34Å; H170-N174 PolarHBondContact ND1-ND2 3.29Å; H170-N174 VanDerWaalsContact O-CG 3.26Å; H170-N174 PolarHBondContact O-N 3.2Å; H170-N174 PolarHBondContact O-ND2 2.95Å |
| 175 | A | 56 | Low | 58.7 | Low | 50 Ų | 50 | 123.3 Ų | 123.3 | 41% | 0.413 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -74.9 | -34.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | W171 M172 Q173 T178 | W171-A175 PolarHBondContact O-N 3.49Å; M172-A175 PolarHBondContact O-N 3.32Å; Q173-A175 PolarHBondContact O-N 3.2Å; A175-T178 PolarHBondContact O-OG1 3.25Å |
| 176 | S | 57.2 | Low | 56.9 | Low | 66 Ų | 66 | 123 Ų | 123 | 46% | 0.462 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -79.7 | -32 | -173.9 | 67.3 | 0 | 0 | 0 | 0 | 114.7 | M172 Q173 T178 Q179 | M172-S176 PolarHBondContact O-N 2.83Å; M172-S176 PolarHBondContact O-OG 2.99Å; Q173-S176 PolarHBondContact O-N 3.25Å; Q173-S176 VanDerWaalsContact O-N 3.11Å; Q173-S176 PolarHBondContact O-OG 2.85Å; S176-T178 PolarHBondContact O-N 2.95Å; S176-Q179 PolarHBondContact O-N 3.14Å |
| 177 | E | 52 | Low | 54.9 | Low | 154 Ų | 154 | 127.6 Ų | 127.6 | 72% | 0.72 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -27.8 | -179.5 | -102.3 | -179.1 | 168 | 0 | 0 | 112.8 | Q173 Q179 | Q173-E177 PolarHBondContact O-N 3.33Å; E177-Q179 VanDerWaalsContact C-N 3.26Å; E177-Q179 PolarHBondContact O-N 3.22Å |
| 178 | T | 55.1 | Low | 53.2 | Low | 116 Ų | 116 | 131.6 Ų | 131.6 | 71% | 0.712 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -8.8 | -177.5 | 20.1 | 0 | 0 | 0 | 0 | 115.8 | A175 S176 | A175-T178 PolarHBondContact O-OG1 3.25Å; S176-T178 PolarHBondContact O-N 2.95Å |
| 179 | Q | 47.6 | Very low | 51.8 | Low | 158 Ų | 158 | 131.3 Ų | 131.3 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -26.6 | -171.8 | -82.8 | -166.8 | -23 | 0 | 0 | 117.4 | S176 E177 | S176-Q179 PolarHBondContact O-N 3.14Å; E177-Q179 VanDerWaalsContact C-N 3.26Å; E177-Q179 PolarHBondContact O-N 3.22Å |
| 180 | W | 46 | Very low | 50.2 | Low | 207 Ų | 207 | 136.9 Ų | 136.9 | 78% | 0.784 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -106.5 | -2.4 | -161.5 | -68.2 | 90.8 | 0 | 0 | 0 | 116.9 | N182 | W180-N182 PolarHBondContact O-N 3.39Å; W180-N182 VanDerWaalsContact O-N 3.1Å |
| 181 | T | 49.9 | Very low | 49 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 77% | 0.767 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 12 | 179.9 | 57.6 | 0 | 0 | 0 | 0 | 115 | ||
| 182 | N | 42.1 | Very low | 48.2 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | 11.4 | -170.6 | -97.9 | -15.6 | 0 | 0 | 0 | 118.6 | W180 | W180-N182 PolarHBondContact O-N 3.39Å; W180-N182 VanDerWaalsContact O-N 3.1Å |
| 183 | S | 40.9 | Very low | 47.5 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | -146.9 | 119.5 | 165 | 80 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 184 | N | 41.5 | Very low | 46.4 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | -135.8 | 101.7 | -171.5 | -160 | 26.2 | 0 | 0 | 0 | 107.6 | ||||
| 185 | Y | 36.9 | Very low | 45.3 | Very low | 238 Ų | 238 | 142.9 Ų | 142.9 | 93% | 0.933 | 78% | 0.775 | S | S | * | * | trans | -151.3 | 124.6 | 167.4 | -88.5 | -73.3 | 0 | 0 | 0 | 112.4 | ||||
| 186 | P | 43.7 | Very low | 44.8 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -109.1 | 148.9 | -179.5 | 37.7 | -29.1 | 0 | 0 | 0 | 113.5 | ||||
| 187 | L | 40.2 | Very low | 44.1 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | -134.3 | 142.2 | 174.2 | -85.4 | 162.8 | 0 | 0 | 0 | 113.2 | ||||
| 188 | I | 39.5 | Very low | 43.7 | Very low | 160 Ų | 160 | 151.7 Ų | 151.7 | 82% | 0.821 | 82% | 0.815 | S | S | * | * | trans | -103.1 | 145.9 | -159.4 | -65.4 | 158.9 | 0 | 0 | 0 | 112 | ||||
| 189 | P | 44.5 | Very low | 43 | Very low | 103 Ų | 103 | 153.8 Ų | 153.8 | 67% | 0.669 | 82% | 0.821 | S | S | * | * | trans | -109.7 | 144.4 | 179.7 | 36.7 | -27.1 | 0 | 0 | 0 | 114.8 | ||||
| 190 | K | 40.1 | Very low | 42.7 | Very low | 177 Ų | 177 | 153.6 Ų | 153.6 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | -156.4 | 142.5 | 175.6 | -135.9 | -166 | 174.1 | -145.8 | 0 | 114.6 | ||||
| 191 | E | 40.5 | Very low | 42.5 | Very low | 125 Ų | 125 | 150 Ų | 150 | 58% | 0.584 | 83% | 0.829 | S | S | * | * | trans | 76.9 | 147.2 | 157.4 | -57.5 | -158.9 | 178.6 | 0 | 0 | 118.4 | ||||
| 192 | M | 42.2 | Very low | 42 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | cis | -169.1 | 141.9 | -6.2 | -106.8 | 176 | -176.4 | 0 | 0 | 105.6 | ||||
| 193 | V | 49.5 | Very low | 41.9 | Very low | 156 Ų | 156 | 151.6 Ų | 151.6 | 95% | 0.945 | 84% | 0.835 | S | S | * | * | trans | -119.8 | 124.8 | 168.8 | 171.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 194 | G | 42.1 | Very low | 42 | Very low | 65 Ų | 65 | 154.8 Ų | 154.8 | 67% | 0.67 | 84% | 0.838 | S | S | * | * | trans | -144.9 | 162.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 195 | V | 43.5 | Very low | 42.1 | Very low | 229 Ų | 229 | 155.2 Ų | 155.2 | 100% | 1.388 | 84% | 0.841 | S | S | * | * | trans | 77.7 | 0 | 176.4 | -161 | 0 | 0 | 0 | 0 | 115.6 |
Retrieved 195 of 195 residues in 100.9 ms
(Link to these results)