| 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 | 31.9 | Very low | 33.2 | Very low | 250 Ų | 250 | 138.8 Ų | 138.8 | 100% | 1.232 | 79% | 0.794 | S | S | * | * | 0 | 145.1 | 0 | -63.9 | 179.1 | -173.2 | 0 | 0 | 108 | |||||
| 2 | A | 33.6 | Very low | 32.7 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -57.4 | 142.7 | -162 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 3 | V | 39.5 | Very low | 33.1 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | 89 | 133 | 99.3 | 162 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 4 | G | 30.2 | Very low | 33.9 | Very low | 62 Ų | 62 | 135.7 Ų | 135.7 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | trans | 161.3 | 93.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 5 | V | 33.7 | Very low | 33.7 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | 75 | 100.9 | 102.3 | 170 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 6 | L | 44.8 | Very low | 34.2 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | 71.3 | 118.3 | 89.1 | -104.6 | 139.4 | 0 | 0 | 0 | 115.5 | |||||
| 7 | D | 33.2 | Very low | 34.4 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | 179.2 | 118.9 | 134.3 | -150.9 | -120.3 | 0 | 0 | 0 | 109.2 | ||||
| 8 | S | 35.6 | Very low | 34.4 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | 86.6 | 128.5 | 68.3 | -150.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 9 | Q | 32.2 | Very low | 34.6 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 66.4 | 126 | 165.6 | -58.5 | -77.4 | 24.1 | 0 | 0 | 116.1 | ||||
| 10 | T | 25.3 | Very low | 35 | Very low | 97 Ų | 97 | 137 Ų | 137 | 60% | 0.595 | 79% | 0.787 | S | S | * | * | 172.9 | 126.1 | 91.4 | -76.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 11 | K | 25.4 | Very low | 34.8 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | trans | 71.9 | 110.8 | 151.7 | -63.3 | 170.4 | -147.6 | -39.9 | 0 | 117.7 | ||||
| 12 | S | 26.8 | Very low | 34.9 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | 105.7 | 97.7 | 94.4 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 13 | S | 38.1 | Very low | 35.2 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | 81.2 | 125.7 | 92.5 | -148.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 14 | L | 45.1 | Very low | 35.4 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | 71 | 98.2 | 171.8 | -77.6 | 77.2 | 0 | 0 | 0 | 117.5 | ||||
| 15 | N | 29.9 | Very low | 35.8 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | -156.8 | 117.2 | 106.3 | -149.4 | -10.4 | 0 | 0 | 0 | 109.9 | |||||
| 16 | G | 42.1 | Very low | 35.9 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | trans | -81.2 | 118.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 17 | S | 37.5 | Very low | 35.3 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 59% | 0.587 | 74% | 0.741 | S | S | * | * | trans | -170.2 | 135.9 | 155.8 | 49 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 18 | T | 33.8 | Very low | 35.9 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | 58.3 | 93.3 | 144.6 | 58 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 19 | F | 39.2 | Very low | 36.1 | Very low | 192 Ų | 192 | 140.9 Ų | 140.9 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | trans | -156 | 49.9 | 140.3 | -136.2 | -98.3 | 0 | 0 | 0 | 112 | ||||
| 20 | F | 43 | Very low | 36.3 | Very low | 218 Ų | 218 | 140.1 Ų | 140.1 | 96% | 0.956 | 75% | 0.751 | S | S | * | * | trans | -75.5 | 102.3 | 138.6 | -110.2 | -89.8 | 0 | 0 | 0 | 104.8 | ||||
| 21 | D | 30.4 | Very low | 37.8 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 53% | 0.529 | 76% | 0.759 | S | S | . | * | trans | -169.2 | 137.5 | 142.8 | -160.3 | -127.9 | 0 | 0 | 0 | 109.3 | ||||
| 22 | R | 34.1 | Very low | 38.7 | Very low | 216 Ų | 216 | 136.4 Ų | 136.4 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | trans | 62 | 111.8 | 161 | -87.7 | 176.5 | 160.2 | 126.3 | -11.1 | 117.2 | ||||
| 23 | G | 38.7 | Very low | 39.5 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | cis | 60.5 | 92.7 | 45.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 24 | S | 43.8 | Very low | 39.6 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | 77.4 | 135.3 | 156.2 | -154 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 25 | L | 38.9 | Very low | 39.8 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | trans | 82.8 | 104 | 155.4 | -121.6 | 74 | 0 | 0 | 0 | 118 | ||||
| 26 | K | 35.9 | Very low | 40.7 | Very low | 174 Ų | 174 | 136 Ų | 136 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | 70.5 | 125.9 | 146.3 | -62.1 | 163.9 | 173.1 | 168.2 | 0 | 113.7 | ||||
| 27 | E | 32.7 | Very low | 41 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | -165.8 | 124.7 | 56.8 | -110.2 | 148.7 | 54.1 | 0 | 0 | 104.5 | E29 | E27-E29 PolarHBondContact O-N 2.8Š| |||
| 28 | Q | 45.1 | Very low | 42 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 71% | 0.712 | S | S | * | * | 16 | 86.3 | 98.9 | -172.1 | 177.4 | -43.3 | 0 | 0 | 114 | |||||
| 29 | E | 40.7 | Very low | 43 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | 169.7 | 140.1 | 127.2 | 54 | -161.8 | 62.9 | 0 | 0 | 113.3 | E27 | E27-E29 PolarHBondContact O-N 2.8Š| |||
| 30 | L | 37 | Very low | 43.6 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | trans | 81.9 | 118.1 | 167.5 | -128.8 | 149.2 | 0 | 0 | 0 | 117.7 | P32 | L30-P32 WeakPolarHBondContact O-CD 3.25Š| ||
| 31 | P | 55.5 | Low | 44.1 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | trans | -79.5 | 123.1 | -174 | 31 | -33.5 | 0 | 0 | 0 | 112.6 | ||||
| 32 | P | 43.7 | Very low | 45.8 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 56% | 0.558 | 65% | 0.651 | S | S | * | * | trans | -118.9 | 165.6 | 170.2 | 12.6 | 13.6 | 0 | 0 | 0 | 111.7 | L30 L34 | L30-P32 WeakPolarHBondContact O-CD 3.25Å; P32-L34 PolarHBondContact O-N 2.99Å | ||
| 33 | P | 44.1 | Very low | 46.9 | Very low | 97 Ų | 97 | 118.4 Ų | 118.4 | 63% | 0.63 | 63% | 0.633 | S | S | * | * | trans | -59.7 | 129.9 | -153.7 | 22.3 | -34.1 | 0 | 0 | 0 | 114.1 | R35 S36 | P33-R35 PolarHBondContact O-N 3.35Å; P33-S36 PolarHBondContact O-N 3.46Å | ||
| 34 | L | 41.5 | Very low | 47.9 | Very low | 144 Ų | 144 | 120.2 Ų | 120.2 | 75% | 0.754 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -4.1 | -173.7 | -160.8 | 65.3 | 0 | 0 | 0 | 116.2 | P32 | P32-L34 PolarHBondContact O-N 2.99Š|
| 35 | R | 48.8 | Very low | 48.5 | Very low | 200 Ų | 200 | 116.3 Ų | 116.3 | 76% | 0.755 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -83.9 | -28.1 | -176 | -69.5 | -67.1 | -124.3 | 170 | 2.5 | 113.7 | P33 | P33-R35 PolarHBondContact O-N 3.35Å |
| 36 | S | 47.7 | Very low | 49.6 | Very low | 75 Ų | 75 | 111.9 Ų | 111.9 | 52% | 0.524 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -83.2 | -20.9 | -172.6 | -52.3 | 0 | 0 | 0 | 0 | 113.1 | P33 | P33-S36 PolarHBondContact O-N 3.46Å |
| 37 | Y | 49.7 | Very low | 50.1 | Low | 152 Ų | 152 | 108.7 Ų | 108.7 | 60% | 0.596 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -91.2 | -29.8 | -177.3 | -80.2 | -92 | 0 | 0 | 0 | 114 | C39 L40 T41 | Y37-C39 VanDerWaalsContact C-N 3.3Å; Y37-C39 PolarHBondContact O-N 3.47Å; Y37-L40 PolarHBondContact O-N 3.4Å; Y37-T41 PolarHBondContact O-N 3.32Å; Y37-T41 PolarHBondContact O-OG1 3.32Å; Y37-T41 VanDerWaalsContact O-OG1 3.05Å |
| 38 | L | 57.3 | Low | 51 | Low | 89 Ų | 89 | 106 Ų | 106 | 47% | 0.466 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.5 | -35.3 | 177.3 | -82.6 | 158.3 | 0 | 0 | 0 | 112.9 | M42 | L38-M42 WeakPolarHBondContact O-CB 3.38Å; L38-M42 WeakPolarHBondContact O-CG 3.33Å; L38-M42 PolarHBondContact O-N 3.28Å |
| 39 | C | 55.1 | Low | 51.3 | Low | 76 Ų | 76 | 99.3 Ų | 99.3 | 51% | 0.514 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 176.5 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | Y37 M42 L43 | Y37-C39 VanDerWaalsContact C-N 3.3Å; Y37-C39 PolarHBondContact O-N 3.47Å; C39-M42 PolarHBondContact O-N 3.27Å; C39-L43 VanDerWaalsContact O-CB 3.27Å; C39-L43 WeakPolarHBondContact O-CB 3.27Å; C39-L43 PolarHBondContact O-N 3.22Å |
| 40 | L | 51.7 | Low | 51.5 | Low | 107 Ų | 107 | 102.2 Ų | 102.2 | 56% | 0.56 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.7 | -40 | 177.8 | -76 | 166.2 | 0 | 0 | 0 | 112 | Y37 L43 T44 | Y37-L40 PolarHBondContact O-N 3.4Å; L40-L43 PolarHBondContact O-N 3.47Å; L40-T44 WeakPolarHBondContact O-CB 3.42Å; L40-T44 PolarHBondContact O-N 3.33Å |
| 41 | T | 54.8 | Low | 52.2 | Low | 80 Ų | 80 | 99.4 Ų | 99.4 | 49% | 0.491 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.3 | -36.4 | 177 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | Y37 T44 C45 | Y37-T41 PolarHBondContact O-N 3.32Å; Y37-T41 PolarHBondContact O-OG1 3.32Å; Y37-T41 VanDerWaalsContact O-OG1 3.05Å; T41-T44 WeakPolarHBondContact O-CG2 3.48Å; T41-C45 PolarHBondContact O-SG 3.09Å |
| 42 | M | 65 | Low | 52 | Low | 45 Ų | 45 | 97.2 Ų | 97.2 | 22% | 0.222 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 168.8 | -81 | -75 | 167.9 | 0 | 0 | 110.6 | L38 C39 T44 C45 F46 S89 I90 | L38-M42 WeakPolarHBondContact O-CB 3.38Å; L38-M42 WeakPolarHBondContact O-CG 3.33Å; L38-M42 PolarHBondContact O-N 3.28Å; C39-M42 PolarHBondContact O-N 3.27Å; M42-T44 PolarHBondContact O-N 3.33Å; M42-C45 PolarHBondContact O-N 3.41Å; M42-F46 VanDerWaalsContact C-CE2 3.46Å; M42-F46 WeakPolarHBondContact O-CD2 2.97Å; M42-F46 WeakPolarHBondContact O-CE2 3.47Å; M42-S89 VanDerWaalsContact CE-C 3.4Å; M42-S89 WeakPolarHBondContact CE-OG 3.28Å; M42-S89 PolarHBondContact SD-OG 3.34Å; M42-I90 HydrophobicContact CE-CB 4.26Å; M42-I90 HydrophobicContact CE-CG1 3.49Å; M42-I90 VanDerWaalsContact CE-CG1 3.49Å |
| 43 | L | 56.5 | Low | 52.5 | Low | 83 Ų | 83 | 95.1 Ų | 95.1 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.1 | -29.8 | -174.1 | -157.7 | 130.3 | 0 | 0 | 0 | 114 | C39 L40 F46 L57 | C39-L43 VanDerWaalsContact O-CB 3.27Å; C39-L43 WeakPolarHBondContact O-CB 3.27Å; C39-L43 PolarHBondContact O-N 3.22Å; L40-L43 PolarHBondContact O-N 3.47Å; L43-F46 WeakPolarHBondContact O-CD2 3.18Å; L43-L57 HydrophobicContact CD1-CD1 4.23Å |
| 44 | T | 60.2 | Low | 52.8 | Low | 103 Ų | 103 | 95.8 Ų | 95.8 | 63% | 0.632 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -77.6 | -24.5 | -179.9 | -153.8 | 0 | 0 | 0 | 0 | 112.6 | L40 T41 M42 F46 | L40-T44 WeakPolarHBondContact O-CB 3.42Å; L40-T44 PolarHBondContact O-N 3.33Å; T41-T44 WeakPolarHBondContact O-CG2 3.48Å; M42-T44 PolarHBondContact O-N 3.33Å; T44-F46 VanDerWaalsContact C-N 3.26Å; T44-F46 PolarHBondContact O-N 3.44Å |
| 45 | C | 55.9 | Low | 53.2 | Low | 28 Ų | 28 | 93.8 Ų | 93.8 | 19% | 0.189 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 1.7 | -177.3 | -62.4 | 0 | 0 | 0 | 0 | 114 | T41 M42 C47 I97 | T41-C45 PolarHBondContact O-SG 3.09Å; M42-C45 PolarHBondContact O-N 3.41Å; C45-C47 VanDerWaalsContact C-N 3.3Å; C45-C47 PolarHBondContact O-N 3.22Å; C45-I97 HydrophobicContact CB-CD1 4.37Å; C45-I97 HydrophobicContact CB-CG1 4.26Å; C45-I97 WeakPolarHBondContact SG-CD1 2.84Å |
| 46 | F | 62.6 | Low | 52.9 | Low | 36 Ų | 36 | 85.5 Ų | 85.5 | 16% | 0.158 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 7.7 | -178.9 | -68.2 | -74.3 | 0 | 0 | 0 | 115.3 | M42 L43 T44 P48 A49 V52 N53 A56 | M42-F46 VanDerWaalsContact C-CE2 3.46Å; M42-F46 WeakPolarHBondContact O-CD2 2.97Å; M42-F46 WeakPolarHBondContact O-CE2 3.47Å; L43-F46 WeakPolarHBondContact O-CD2 3.18Å; T44-F46 VanDerWaalsContact C-N 3.26Å; T44-F46 PolarHBondContact O-N 3.44Å; F46-P48 CarbonylContact O-C 3.58Å; F46-P48 VanDerWaalsContact O-N 3.17Å; F46-A49 PolarHBondContact O-N 3.35Å; F46-V52 HydrophobicContact CD1-CG1 4.34Å; F46-V52 HydrophobicContact CE1-CG1 4.04Å; F46-N53 HydrophobicContact CB-CB 3.86Å; F46-N53 VanDerWaalsContact CD1-CA 3.45Å; F46-N53 HydrophobicContact CD1-CB 3.52Å; F46-N53 HydrophobicContact CD2-CB 3.64Å; F46-N53 WeakPolarHBondContact CD2-ND2 3.16Å; F46-N53 WeakPolarHBondContact CD2-OD1 3.48Å; F46-N53 HydrophobicContact CE1-CB 3.91Å; F46-N53 HydrophobicContact CE2-CB 3.98Å; F46-N53 WeakPolarHBondContact CE2-OD1 2.87Å; F46-N53 HydrophobicContact CG-CB 3.38Å; F46-N53 WeakPolarHBondContact CG-ND2 3.27Å; F46-N53 HydrophobicContact CZ-CB 4.12Å; F46-A56 HydrophobicContact CE1-CB 4.5Å; F46-A56 HydrophobicContact CE2-CB 4.4Å; F46-A56 HydrophobicContact CZ-CB 3.64Å |
| 47 | C | 46.7 | Very low | 53.2 | Low | 108 Ų | 108 | 86.7 Ų | 86.7 | 73% | 0.73 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 81.7 | 171 | -163.4 | 0 | 0 | 0 | 0 | 107.5 | C45 | C45-C47 VanDerWaalsContact C-N 3.3Å; C45-C47 PolarHBondContact O-N 3.22Å |
| 48 | P | 52.1 | Low | 53.3 | Low | 108 Ų | 108 | 83.9 Ų | 83.9 | 70% | 0.701 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | -145.2 | 22 | 67.2 | 27.7 | -2.3 | 0 | 0 | 0 | 115.2 | F46 | F46-P48 CarbonylContact O-C 3.58Å; F46-P48 VanDerWaalsContact O-N 3.17Å | |
| 49 | A | 51.2 | Low | 52.7 | Low | 39 Ų | 39 | 82.5 Ų | 82.5 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | trans | -110.2 | 86.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F46 V52 | F46-A49 PolarHBondContact O-N 3.35Å; A49-V52 HydrophobicContact CB-CB 4.16Å; A49-V52 PolarHBondContact O-N 3.28Å | ||
| 50 | Y | 45.1 | Very low | 52.3 | Low | 220 Ų | 220 | 82.3 Ų | 82.3 | 86% | 0.863 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.5 | -172.1 | -169 | -109.1 | 0 | 0 | 0 | 117.5 | ||
| 51 | P | 51.6 | Low | 52.3 | Low | 92 Ų | 92 | 82 Ų | 82 | 60% | 0.597 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -10.7 | 178.3 | 31.7 | -30.3 | 0 | 0 | 0 | 114.7 | I54 | P51-I54 WeakPolarHBondContact O-CB 3.39Š|
| 52 | V | 50.6 | Low | 51.9 | Low | 74 Ų | 74 | 84.5 Ų | 84.5 | 45% | 0.448 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -22 | -168.8 | 165.8 | 0 | 0 | 0 | 0 | 112.7 | F46 A49 I54 V55 | F46-V52 HydrophobicContact CD1-CG1 4.34Å; F46-V52 HydrophobicContact CE1-CG1 4.04Å; A49-V52 HydrophobicContact CB-CB 4.16Å; A49-V52 PolarHBondContact O-N 3.28Å; V52-I54 PolarHBondContact O-N 2.98Å; V52-V55 VanDerWaalsContact O-CG2 3.27Å; V52-V55 WeakPolarHBondContact O-CG2 3.03Å |
| 53 | N | 53.5 | Low | 50.5 | Low | 41 Ų | 41 | 86.1 Ų | 86.1 | 22% | 0.219 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -64.7 | -24.1 | 168.4 | -156.5 | -9 | 0 | 0 | 0 | 112.7 | F46 V55 | F46-N53 HydrophobicContact CB-CB 3.86Å; F46-N53 VanDerWaalsContact CD1-CA 3.45Å; F46-N53 HydrophobicContact CD1-CB 3.52Å; F46-N53 HydrophobicContact CD2-CB 3.64Å; F46-N53 WeakPolarHBondContact CD2-ND2 3.16Å; F46-N53 WeakPolarHBondContact CD2-OD1 3.48Å; F46-N53 HydrophobicContact CE1-CB 3.91Å; F46-N53 HydrophobicContact CE2-CB 3.98Å; F46-N53 WeakPolarHBondContact CE2-OD1 2.87Å; F46-N53 HydrophobicContact CG-CB 3.38Å; F46-N53 WeakPolarHBondContact CG-ND2 3.27Å; F46-N53 HydrophobicContact CZ-CB 4.12Å; N53-V55 PolarHBondContact O-N 3.45Å |
| 54 | I | 51.7 | Low | 50.2 | Low | 111 Ų | 111 | 92 Ų | 92 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.9 | -24.1 | -173 | -58.1 | 177.9 | 0 | 0 | 0 | 112.3 | P51 V52 V58 | P51-I54 WeakPolarHBondContact O-CB 3.39Å; V52-I54 PolarHBondContact O-N 2.98Å; I54-V58 VanDerWaalsContact O-CG2 3.25Å; I54-V58 WeakPolarHBondContact O-CG2 3.47Å |
| 55 | V | 49.3 | Very low | 49.4 | Very low | 103 Ų | 103 | 92.2 Ų | 92.2 | 62% | 0.624 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -90.6 | -27 | 176.6 | -88.2 | 0 | 0 | 0 | 0 | 114.1 | V52 N53 L57 V58 F59 | V52-V55 VanDerWaalsContact O-CG2 3.27Å; V52-V55 WeakPolarHBondContact O-CG2 3.03Å; N53-V55 PolarHBondContact O-N 3.45Å; V55-L57 VanDerWaalsContact C-N 3.28Å; V55-L57 PolarHBondContact O-N 2.75Å; V55-V58 PolarHBondContact O-N 3.4Å; V55-F59 PolarHBondContact O-N 3.36Å |
| 56 | A | 42.8 | Very low | 48.8 | Very low | 26 Ų | 26 | 94.9 Ų | 94.9 | 22% | 0.215 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -69.4 | -26.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | F46 S60 | F46-A56 HydrophobicContact CE1-CB 4.5Å; F46-A56 HydrophobicContact CE2-CB 4.4Å; F46-A56 HydrophobicContact CZ-CB 3.64Å; A56-S60 PolarHBondContact O-OG 3.39Å |
| 57 | L | 53.6 | Low | 48.1 | Very low | 99 Ų | 99 | 103.2 Ų | 103.2 | 52% | 0.518 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -78.9 | -35 | 175.2 | -145.5 | 116.6 | 0 | 0 | 0 | 112 | L43 V55 F59 S60 V61 | L43-L57 HydrophobicContact CD1-CD1 4.23Å; V55-L57 VanDerWaalsContact C-N 3.28Å; V55-L57 PolarHBondContact O-N 2.75Å; L57-F59 VanDerWaalsContact C-N 3.34Å; L57-F59 PolarHBondContact O-N 3.4Å; L57-S60 PolarHBondContact O-N 3.48Å; L57-V61 WeakPolarHBondContact O-CG2 3.37Å; L57-V61 PolarHBondContact O-N 3.48Å |
| 58 | V | 52.2 | Low | 48 | Very low | 94 Ų | 94 | 108.4 Ų | 108.4 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.8 | -26.6 | -179.8 | 176.2 | 0 | 0 | 0 | 0 | 112.4 | I54 V55 V61 | I54-V58 VanDerWaalsContact O-CG2 3.25Å; I54-V58 WeakPolarHBondContact O-CG2 3.47Å; V55-V58 PolarHBondContact O-N 3.4Å; V58-V61 WeakPolarHBondContact O-CB 3.34Å |
| 59 | F | 43.9 | Very low | 47.6 | Very low | 59 Ų | 59 | 110.1 Ų | 110.1 | 26% | 0.259 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -84.7 | -29.4 | 176.6 | -164.8 | -99.8 | 0 | 0 | 0 | 113.6 | V55 L57 V61 M62 V85 | V55-F59 PolarHBondContact O-N 3.36Å; L57-F59 VanDerWaalsContact C-N 3.34Å; L57-F59 PolarHBondContact O-N 3.4Å; F59-V61 PolarHBondContact O-N 3.42Å; F59-M62 HydrophobicContact CE2-SD 4.33Å; F59-M62 PolarHBondContact O-N 3.3Å; F59-V85 HydrophobicContact CB-CG1 4.44Å; F59-V85 HydrophobicContact CD1-CB 3.9Å; F59-V85 HydrophobicContact CD1-CG1 3.27Å; F59-V85 HydrophobicContact CD2-CB 4.41Å; F59-V85 HydrophobicContact CD2-CG1 3.81Å; F59-V85 HydrophobicContact CE1-CB 3.26Å; F59-V85 HydrophobicContact CE1-CG1 3.22Å; F59-V85 HydrophobicContact CE1-CG2 4.1Å; F59-V85 HydrophobicContact CE2-CB 3.84Å; F59-V85 HydrophobicContact CE2-CG1 3.75Å; F59-V85 HydrophobicContact CE2-CG2 3.75Å; F59-V85 HydrophobicContact CG-CB 4.42Å; F59-V85 HydrophobicContact CG-CG1 3.55Å; F59-V85 HydrophobicContact CZ-CB 3.19Å; F59-V85 HydrophobicContact CZ-CG1 3.44Å; F59-V85 VanDerWaalsContact CZ-CG1 3.44Å; F59-V85 HydrophobicContact CZ-CG2 3.48Å; F59-V85 VanDerWaalsContact CZ-CG2 3.48Å |
| 60 | S | 48.7 | Very low | 47.7 | Very low | 73 Ų | 73 | 112.1 Ų | 112.1 | 51% | 0.51 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.9 | -25.8 | 166.6 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | A56 L57 | A56-S60 PolarHBondContact O-OG 3.39Å; L57-S60 PolarHBondContact O-N 3.48Å |
| 61 | V | 49.8 | Very low | 48.2 | Very low | 101 Ų | 101 | 107.6 Ų | 107.6 | 61% | 0.612 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.4 | -28.9 | 171.8 | 160.6 | 0 | 0 | 0 | 0 | 113.2 | L57 V58 F59 | L57-V61 WeakPolarHBondContact O-CG2 3.37Å; L57-V61 PolarHBondContact O-N 3.48Å; V58-V61 WeakPolarHBondContact O-CB 3.34Å; F59-V61 PolarHBondContact O-N 3.42Å |
| 62 | M | 46.4 | Very low | 48.5 | Very low | 132 Ų | 132 | 112.7 Ų | 112.7 | 65% | 0.65 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.2 | -28.2 | 176.6 | -159.5 | 177.1 | -149.3 | 0 | 0 | 112.8 | F59 R64 | F59-M62 HydrophobicContact CE2-SD 4.33Å; F59-M62 PolarHBondContact O-N 3.3Å; M62-R64 VanDerWaalsContact C-N 3.29Å; M62-R64 PolarHBondContact O-N 3.41Å |
| 63 | S | 37 | Very low | 49.1 | Very low | 78 Ų | 78 | 116.5 Ų | 116.5 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | -10.5 | -179.6 | 176.4 | 0 | 0 | 0 | 0 | 115 | ||
| 64 | R | 49.1 | Very low | 49.3 | Very low | 207 Ų | 207 | 117.4 Ų | 117.4 | 78% | 0.781 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -16.7 | -178.6 | -143.6 | 171.7 | -78.9 | -178.1 | -4 | 113.2 | M62 | M62-R64 VanDerWaalsContact C-N 3.29Å; M62-R64 PolarHBondContact O-N 3.41Å |
| 65 | N | 44.9 | Very low | 49.2 | Very low | 108 Ų | 108 | 114 Ų | 114 | 58% | 0.578 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -24.9 | 178.8 | -176.8 | 63.7 | 0 | 0 | 0 | 113.9 | Y67 | N65-Y67 VanDerWaalsContact C-N 3.34Š|
| 66 | S | 42.6 | Very low | 49.6 | Very low | 84 Ų | 84 | 118 Ų | 118 | 59% | 0.587 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -4.1 | 179.2 | -166.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 67 | Y | 46.9 | Very low | 50.2 | Low | 210 Ų | 210 | 126.9 Ų | 126.9 | 82% | 0.824 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -95.6 | -15.9 | -174.6 | -154 | -96.2 | 0 | 0 | 0 | 113.5 | N65 | N65-Y67 VanDerWaalsContact C-N 3.34Š|
| 68 | Y | 45.2 | Very low | 50.2 | Low | 218 Ų | 218 | 128.4 Ų | 128.4 | 86% | 0.855 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -103.1 | -7.6 | -174.6 | -120.3 | -87 | 0 | 0 | 0 | 115 | ||
| 69 | Q | 44.2 | Very low | 50.2 | Low | 143 Ų | 143 | 125.7 Ų | 125.7 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -107.4 | 8.7 | -166.7 | -75.4 | -159.7 | 82.2 | 0 | 0 | 116.5 | D71 | Q69-D71 PolarHBondContact O-N 3.07Š|
| 70 | G | 53.6 | Low | 51.2 | Low | 81 Ų | 81 | 131.3 Ų | 131.3 | 84% | 0.835 | 66% | 0.66 | S | S | * | * | trans | 62.6 | 4.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 71 | D | 54.3 | Low | 51.7 | Low | 126 Ų | 126 | 131.6 Ų | 131.6 | 67% | 0.674 | 66% | 0.662 | S | S | * | * | trans | -127.9 | 112.3 | -174.5 | -133.5 | -48.8 | 0 | 0 | 0 | 111 | Q69 S75 | Q69-D71 PolarHBondContact O-N 3.07Å; D71-S75 PolarHBondContact O-OG 3.46Å | ||
| 72 | Y | 58 | Low | 52.1 | Low | 199 Ų | 199 | 128.6 Ų | 128.6 | 78% | 0.78 | 65% | 0.648 | S | S | * | * | trans | -95.8 | -9.7 | -160.8 | -120 | -100.4 | 0 | 0 | 0 | 114.2 | ||||
| 73 | D | 62.7 | Low | 52.8 | Low | 154 Ų | 154 | 127.5 Ų | 127.5 | 82% | 0.824 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -34.8 | -166.8 | -148.4 | -102.8 | 0 | 0 | 0 | 113.1 | ||
| 74 | G | 59.3 | Low | 54.1 | Low | 59 Ų | 59 | 132.6 Ų | 132.6 | 61% | 0.608 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -17.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 75 | S | 48.3 | Very low | 54.8 | Low | 40 Ų | 40 | 125.7 Ų | 125.7 | 28% | 0.28 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -82.2 | -21.5 | -161.1 | -52 | 0 | 0 | 0 | 0 | 113.9 | D71 R77 L78 G79 | D71-S75 PolarHBondContact O-OG 3.46Å; S75-R77 VanDerWaalsContact C-N 3.29Å; S75-R77 PolarHBondContact O-N 3.3Å; S75-L78 PolarHBondContact O-N 3.24Å; S75-G79 PolarHBondContact O-N 3.26Å; S75-G79 VanDerWaalsContact O-N 3.09Å |
| 76 | R | 58.1 | Low | 55.6 | Low | 186 Ų | 186 | 123.6 Ų | 123.6 | 70% | 0.702 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.5 | -21.6 | -177.8 | -57.7 | -171.5 | 82.3 | -152.1 | 8.2 | 113.9 | ||
| 77 | R | 56.3 | Low | 56.9 | Low | 214 Ų | 214 | 124 Ų | 124 | 81% | 0.808 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -82.5 | -37.3 | 176.4 | -115 | 164.2 | 65.7 | -139.5 | 3.7 | 112.2 | S75 | S75-R77 VanDerWaalsContact C-N 3.29Å; S75-R77 PolarHBondContact O-N 3.3Å |
| 78 | L | 52.4 | Low | 57.9 | Low | 130 Ų | 130 | 116.1 Ų | 116.1 | 68% | 0.681 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -77.6 | -29.7 | 178.1 | -114.9 | 65.4 | 0 | 0 | 0 | 113.1 | S75 R80 S81 A82 | S75-L78 PolarHBondContact O-N 3.24Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 3.4Å; L78-S81 PolarHBondContact O-N 3.04Å; L78-A82 PolarHBondContact O-N 3.3Å |
| 79 | G | 52.7 | Low | 58.8 | Low | 38 Ų | 38 | 107.4 Ų | 107.4 | 39% | 0.392 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.7 | -27 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S75 A82 L83 | S75-G79 PolarHBondContact O-N 3.26Å; S75-G79 VanDerWaalsContact O-N 3.09Å; G79-A82 WeakPolarHBondContact O-CB 3.48Å; G79-A82 PolarHBondContact O-N 3.35Å; G79-L83 PolarHBondContact O-N 2.86Å |
| 80 | R | 64.1 | Low | 59.9 | Low | 176 Ų | 176 | 104.5 Ų | 104.5 | 66% | 0.664 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.1 | -34.8 | 176 | -87.3 | 167 | 167.8 | 112.8 | -7.1 | 112.6 | L78 A82 L83 Y84 | L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 3.4Å; R80-A82 VanDerWaalsContact C-N 3.31Å; R80-L83 PolarHBondContact O-N 2.88Å; R80-Y84 PolarHBondContact O-N 3.41Å |
| 81 | S | 59.4 | Low | 60.9 | Low | 79 Ų | 79 | 105.8 Ų | 105.8 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.4 | -33.7 | 172.9 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | L78 Y84 V85 | L78-S81 PolarHBondContact O-N 3.04Å; S81-Y84 PolarHBondContact O-N 3.31Å; S81-V85 PolarHBondContact O-N 3.04Å |
| 82 | A | 59.1 | Low | 61.6 | Low | 39 Ų | 39 | 104.8 Ų | 104.8 | 32% | 0.322 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | L78 G79 R80 S86 | L78-A82 PolarHBondContact O-N 3.3Å; G79-A82 WeakPolarHBondContact O-CB 3.48Å; G79-A82 PolarHBondContact O-N 3.35Å; R80-A82 VanDerWaalsContact C-N 3.31Å; A82-S86 PolarHBondContact O-N 3.05Å; A82-S86 PolarHBondContact O-OG 3.42Å |
| 83 | L | 61.3 | Low | 62.1 | Low | 108 Ų | 108 | 96 Ų | 96 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 177.3 | -102.5 | 167.2 | 0 | 0 | 0 | 112.9 | G79 R80 V85 S86 I87 | G79-L83 PolarHBondContact O-N 2.86Å; R80-L83 PolarHBondContact O-N 2.88Å; L83-V85 VanDerWaalsContact C-N 3.32Å; L83-V85 PolarHBondContact O-N 3.06Å; L83-S86 PolarHBondContact O-N 3.43Å; L83-I87 PolarHBondContact O-N 3.27Å |
| 84 | Y | 63 | Low | 62.4 | Low | 186 Ų | 186 | 94 Ų | 94 | 73% | 0.729 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.6 | -41.1 | -177.4 | -124.2 | -85.8 | 0 | 0 | 0 | 112.3 | R80 S81 I87 A88 | R80-Y84 PolarHBondContact O-N 3.41Å; S81-Y84 PolarHBondContact O-N 3.31Å; Y84-I87 PolarHBondContact O-N 3.07Å; Y84-A88 WeakPolarHBondContact O-CB 3.32Å; Y84-A88 PolarHBondContact O-N 3.38Å |
| 85 | V | 63.7 | Low | 63.2 | Low | 62 Ų | 62 | 96.7 Ų | 96.7 | 38% | 0.376 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.6 | -34.3 | 179.8 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | F59 S81 L83 I87 A88 S89 | F59-V85 HydrophobicContact CB-CG1 4.44Å; F59-V85 HydrophobicContact CD1-CB 3.9Å; F59-V85 HydrophobicContact CD1-CG1 3.27Å; F59-V85 HydrophobicContact CD2-CB 4.41Å; F59-V85 HydrophobicContact CD2-CG1 3.81Å; F59-V85 HydrophobicContact CE1-CB 3.26Å; F59-V85 HydrophobicContact CE1-CG1 3.22Å; F59-V85 HydrophobicContact CE1-CG2 4.1Å; F59-V85 HydrophobicContact CE2-CB 3.84Å; F59-V85 HydrophobicContact CE2-CG1 3.75Å; F59-V85 HydrophobicContact CE2-CG2 3.75Å; F59-V85 HydrophobicContact CG-CB 4.42Å; F59-V85 HydrophobicContact CG-CG1 3.55Å; F59-V85 HydrophobicContact CZ-CB 3.19Å; F59-V85 HydrophobicContact CZ-CG1 3.44Å; F59-V85 VanDerWaalsContact CZ-CG1 3.44Å; F59-V85 HydrophobicContact CZ-CG2 3.48Å; F59-V85 VanDerWaalsContact CZ-CG2 3.48Å; S81-V85 PolarHBondContact O-N 3.04Å; L83-V85 VanDerWaalsContact C-N 3.32Å; L83-V85 PolarHBondContact O-N 3.06Å; V85-I87 VanDerWaalsContact C-N 3.35Å; V85-A88 PolarHBondContact O-N 3.09Å; V85-S89 WeakPolarHBondContact O-CB 3.48Å; V85-S89 PolarHBondContact O-N 2.92Å; V85-S89 VanDerWaalsContact O-N 3.07Å |
| 86 | S | 63 | Low | 64.2 | Low | 64 Ų | 64 | 97.1 Ų | 97.1 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 171.5 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | A82 L83 S89 I90 | A82-S86 PolarHBondContact O-N 3.05Å; A82-S86 PolarHBondContact O-OG 3.42Å; L83-S86 PolarHBondContact O-N 3.43Å; S86-S89 PolarHBondContact O-N 3.18Å; S86-I90 PolarHBondContact O-N 3.45Å |
| 87 | I | 68.4 | Low | 64.9 | Low | 92 Ų | 92 | 91.6 Ų | 91.6 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 176.7 | -75.2 | 162.7 | 0 | 0 | 0 | 111.1 | L83 Y84 V85 S89 I90 I91 | L83-I87 PolarHBondContact O-N 3.27Å; Y84-I87 PolarHBondContact O-N 3.07Å; V85-I87 VanDerWaalsContact C-N 3.35Å; I87-S89 VanDerWaalsContact C-N 3.26Å; I87-S89 PolarHBondContact O-N 3.16Å; I87-I90 PolarHBondContact O-N 3.3Å; I87-I90 VanDerWaalsContact O-N 3.16Å; I87-I91 HydrophobicContact CG2-CD1 4.18Å; I87-I91 PolarHBondContact O-N 3.47Å |
| 88 | A | 68 | Low | 65.8 | Low | 44 Ų | 44 | 83.7 Ų | 83.7 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.1 | -41.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y84 V85 I90 I91 I92 | Y84-A88 WeakPolarHBondContact O-CB 3.32Å; Y84-A88 PolarHBondContact O-N 3.38Å; V85-A88 PolarHBondContact O-N 3.09Å; A88-I90 PolarHBondContact O-N 3.45Å; A88-I91 PolarHBondContact O-N 2.98Å; A88-I92 WeakPolarHBondContact O-CD1 3.43Å; A88-I92 VanDerWaalsContact O-CG1 3.28Å; A88-I92 WeakPolarHBondContact O-CG1 3.44Å; A88-I92 PolarHBondContact O-N 3.16Å; A88-I92 VanDerWaalsContact O-N 3.07Å |
| 89 | S | 64.2 | Low | 67.2 | Low | 36 Ų | 36 | 81.3 Ų | 81.3 | 25% | 0.252 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 179.3 | -159.4 | 0 | 0 | 0 | 0 | 112.6 | M42 V85 S86 I87 G93 | M42-S89 VanDerWaalsContact CE-C 3.4Å; M42-S89 WeakPolarHBondContact CE-OG 3.28Å; M42-S89 PolarHBondContact SD-OG 3.34Å; V85-S89 WeakPolarHBondContact O-CB 3.48Å; V85-S89 PolarHBondContact O-N 2.92Å; V85-S89 VanDerWaalsContact O-N 3.07Å; S86-S89 PolarHBondContact O-N 3.18Å; I87-S89 VanDerWaalsContact C-N 3.26Å; I87-S89 PolarHBondContact O-N 3.16Å; S89-G93 PolarHBondContact O-N 3.42Å |
| 90 | I | 67.6 | Low | 68.1 | Low | 81 Ų | 81 | 82.8 Ų | 82.8 | 42% | 0.415 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 178.8 | -71.3 | 178.4 | 0 | 0 | 0 | 110.6 | M42 S86 I87 A88 G93 L94 | M42-I90 HydrophobicContact CE-CB 4.26Å; M42-I90 HydrophobicContact CE-CG1 3.49Å; M42-I90 VanDerWaalsContact CE-CG1 3.49Å; S86-I90 PolarHBondContact O-N 3.45Å; I87-I90 PolarHBondContact O-N 3.3Å; I87-I90 VanDerWaalsContact O-N 3.16Å; A88-I90 PolarHBondContact O-N 3.45Å; I90-G93 PolarHBondContact O-N 3Å; I90-L94 HydrophobicContact CG2-CD1 4.13Å; I90-L94 PolarHBondContact O-N 3.47Å |
| 91 | I | 73.9 | Confident | 68.5 | Low | 109 Ų | 109 | 78 Ų | 78 | 56% | 0.559 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.2 | -45.3 | 179.3 | -65.3 | -178.2 | 0 | 0 | 0 | 110.6 | I87 A88 L94 L95 | I87-I91 HydrophobicContact CG2-CD1 4.18Å; I87-I91 PolarHBondContact O-N 3.47Å; A88-I91 PolarHBondContact O-N 2.98Å; I91-L94 PolarHBondContact O-N 2.69Å; I91-L95 PolarHBondContact O-N 2.92Å; I91-L95 VanDerWaalsContact O-N 3.09Å |
| 92 | I | 70.3 | Confident | 69.6 | Low | 105 Ų | 105 | 79.3 Ų | 79.3 | 54% | 0.538 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 179.1 | -65.6 | 165.1 | 0 | 0 | 0 | 110.9 | A88 L94 L95 V96 | A88-I92 WeakPolarHBondContact O-CD1 3.43Å; A88-I92 VanDerWaalsContact O-CG1 3.28Å; A88-I92 WeakPolarHBondContact O-CG1 3.44Å; A88-I92 PolarHBondContact O-N 3.16Å; A88-I92 VanDerWaalsContact O-N 3.07Å; I92-L94 PolarHBondContact O-N 3.46Å; I92-L95 PolarHBondContact O-N 3.45Å; I92-V96 WeakPolarHBondContact O-CG2 3.34Å; I92-V96 PolarHBondContact O-N 3.49Å; I92-V96 VanDerWaalsContact O-N 3.16Å |
| 93 | G | 67.8 | Low | 70.5 | Confident | 15 Ų | 15 | 81.4 Ų | 81.4 | 16% | 0.155 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S89 I90 L95 V96 I97 | S89-G93 PolarHBondContact O-N 3.42Å; I90-G93 PolarHBondContact O-N 3Å; G93-L95 PolarHBondContact O-N 3.41Å; G93-V96 PolarHBondContact O-N 3.06Å; G93-I97 WeakPolarHBondContact O-CD1 3.23Å; G93-I97 VanDerWaalsContact O-CG1 3.23Å; G93-I97 WeakPolarHBondContact O-CG1 3.41Å; G93-I97 PolarHBondContact O-N 3.32Å; G93-I97 VanDerWaalsContact O-N 3.16Å |
| 94 | L | 69.2 | Low | 70.9 | Confident | 112 Ų | 112 | 81.5 Ų | 81.5 | 59% | 0.586 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 177.4 | -82.3 | 167 | 0 | 0 | 0 | 112.9 | I90 I91 I92 V96 I97 A98 | I90-L94 HydrophobicContact CG2-CD1 4.13Å; I90-L94 PolarHBondContact O-N 3.47Å; I91-L94 PolarHBondContact O-N 2.69Å; I92-L94 PolarHBondContact O-N 3.46Å; L94-V96 PolarHBondContact O-N 3.16Å; L94-I97 PolarHBondContact O-N 3.31Å; L94-A98 WeakPolarHBondContact O-CB 3.31Å; L94-A98 PolarHBondContact O-N 3.37Å |
| 95 | L | 75.3 | Confident | 71.5 | Confident | 115 Ų | 115 | 80.4 Ų | 80.4 | 60% | 0.602 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 179.2 | -160.7 | 98.5 | 0 | 0 | 0 | 111.4 | I91 I92 G93 A98 V99 | I91-L95 PolarHBondContact O-N 2.92Å; I91-L95 VanDerWaalsContact O-N 3.09Å; I92-L95 PolarHBondContact O-N 3.45Å; G93-L95 PolarHBondContact O-N 3.41Å; L95-A98 PolarHBondContact O-N 3.48Å; L95-V99 VanDerWaalsContact O-CG2 3.29Å; L95-V99 WeakPolarHBondContact O-CG2 3.33Å; L95-V99 PolarHBondContact O-N 3.49Å |
| 96 | V | 71.3 | Confident | 71.9 | Confident | 49 Ų | 49 | 81.8 Ų | 81.8 | 30% | 0.297 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 179.8 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | I92 G93 L94 A98 V99 T100 | I92-V96 WeakPolarHBondContact O-CG2 3.34Å; I92-V96 PolarHBondContact O-N 3.49Å; I92-V96 VanDerWaalsContact O-N 3.16Å; G93-V96 PolarHBondContact O-N 3.06Å; L94-V96 PolarHBondContact O-N 3.16Å; V96-A98 VanDerWaalsContact C-N 3.34Å; V96-A98 PolarHBondContact O-N 2.93Å; V96-V99 PolarHBondContact O-N 3.37Å; V96-T100 WeakPolarHBondContact O-CB 3.29Å; V96-T100 PolarHBondContact O-N 3.49Å; V96-T100 PolarHBondContact O-OG1 2.85Å |
| 97 | I | 72.6 | Confident | 72.2 | Confident | 69 Ų | 69 | 82.9 Ų | 82.9 | 35% | 0.354 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 175.2 | -60.9 | 161.2 | 0 | 0 | 0 | 110.1 | C45 G93 L94 T100 C101 | C45-I97 HydrophobicContact CB-CD1 4.37Å; C45-I97 HydrophobicContact CB-CG1 4.26Å; C45-I97 WeakPolarHBondContact SG-CD1 2.84Å; G93-I97 WeakPolarHBondContact O-CD1 3.23Å; G93-I97 VanDerWaalsContact O-CG1 3.23Å; G93-I97 WeakPolarHBondContact O-CG1 3.41Å; G93-I97 PolarHBondContact O-N 3.32Å; G93-I97 VanDerWaalsContact O-N 3.16Å; L94-I97 PolarHBondContact O-N 3.31Å; I97-T100 PolarHBondContact O-N 2.85Å; I97-C101 WeakPolarHBondContact O-CB 3.36Å; I97-C101 PolarHBondContact O-N 3.09Å; I97-C101 PolarHBondContact O-SG 2.95Å |
| 98 | A | 75.1 | Confident | 71.8 | Confident | 48 Ų | 48 | 85 Ų | 85 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.6 | -48 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L94 L95 V96 T100 C101 I102 | L94-A98 WeakPolarHBondContact O-CB 3.31Å; L94-A98 PolarHBondContact O-N 3.37Å; L95-A98 PolarHBondContact O-N 3.48Å; V96-A98 VanDerWaalsContact C-N 3.34Å; V96-A98 PolarHBondContact O-N 2.93Å; A98-T100 VanDerWaalsContact C-N 3.34Å; A98-T100 PolarHBondContact O-N 3.13Å; A98-C101 PolarHBondContact O-N 3.33Å; A98-I102 WeakPolarHBondContact O-CB 3.49Å; A98-I102 WeakPolarHBondContact O-CD1 3.46Å; A98-I102 WeakPolarHBondContact O-CG1 3.39Å; A98-I102 PolarHBondContact O-N 2.92Å |
| 99 | V | 80.4 | Confident | 71.3 | Confident | 80 Ų | 80 | 89.8 Ų | 89.8 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 111 | L95 V96 I102 V103 | L95-V99 VanDerWaalsContact O-CG2 3.29Å; L95-V99 WeakPolarHBondContact O-CG2 3.33Å; L95-V99 PolarHBondContact O-N 3.49Å; V96-V99 PolarHBondContact O-N 3.37Å; V99-I102 PolarHBondContact O-N 3.48Å; V99-V103 HydrophobicContact CG1-CG2 4.27Å; V99-V103 WeakPolarHBondContact O-CB 3.29Å; V99-V103 WeakPolarHBondContact O-CG2 3.24Å; V99-V103 PolarHBondContact O-N 3.46Å |
| 100 | T | 72.2 | Confident | 70.5 | Confident | 69 Ų | 69 | 98.8 Ų | 98.8 | 42% | 0.423 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 178.4 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | V96 I97 A98 H104 | V96-T100 WeakPolarHBondContact O-CB 3.29Å; V96-T100 PolarHBondContact O-N 3.49Å; V96-T100 PolarHBondContact O-OG1 2.85Å; I97-T100 PolarHBondContact O-N 2.85Å; A98-T100 VanDerWaalsContact C-N 3.34Å; A98-T100 PolarHBondContact O-N 3.13Å; T100-H104 WeakPolarHBondContact O-CB 3.35Å; T100-H104 PolarHBondContact O-N 3.22Å |
| 101 | C | 73.7 | Confident | 70.6 | Confident | 76 Ų | 76 | 99.7 Ų | 99.7 | 51% | 0.514 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 174.2 | -82.7 | 0 | 0 | 0 | 0 | 111.4 | I97 A98 H104 F105 | I97-C101 WeakPolarHBondContact O-CB 3.36Å; I97-C101 PolarHBondContact O-N 3.09Å; I97-C101 PolarHBondContact O-SG 2.95Å; A98-C101 PolarHBondContact O-N 3.33Å; C101-H104 PolarHBondContact O-N 2.86Å; C101-F105 VanDerWaalsContact O-CB 3.31Å; C101-F105 WeakPolarHBondContact O-CB 3.33Å; C101-F105 PolarHBondContact O-N 2.88Å |
| 102 | I | 80.6 | Confident | 70.4 | Confident | 106 Ų | 106 | 99.2 Ų | 99.2 | 54% | 0.544 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.3 | -51 | -179.3 | -67.1 | 161.7 | 0 | 0 | 0 | 110.2 | A98 V99 H104 F105 T106 | A98-I102 WeakPolarHBondContact O-CB 3.49Å; A98-I102 WeakPolarHBondContact O-CD1 3.46Å; A98-I102 WeakPolarHBondContact O-CG1 3.39Å; A98-I102 PolarHBondContact O-N 2.92Å; V99-I102 PolarHBondContact O-N 3.48Å; I102-H104 VanDerWaalsContact C-N 3.35Å; I102-H104 PolarHBondContact O-N 3.44Å; I102-F105 PolarHBondContact O-N 2.77Å; I102-T106 WeakPolarHBondContact O-CB 3.31Å; I102-T106 PolarHBondContact O-N 2.87Å; I102-T106 PolarHBondContact O-OG1 3.32Å |
| 103 | V | 77.9 | Confident | 70.4 | Confident | 84 Ų | 84 | 98.8 Ų | 98.8 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 178.8 | 168.2 | 0 | 0 | 0 | 0 | 110.5 | V99 F105 T106 T107 | V99-V103 HydrophobicContact CG1-CG2 4.27Å; V99-V103 WeakPolarHBondContact O-CB 3.29Å; V99-V103 WeakPolarHBondContact O-CG2 3.24Å; V99-V103 PolarHBondContact O-N 3.46Å; V103-F105 VanDerWaalsContact C-N 3.33Å; V103-F105 PolarHBondContact O-N 3.25Å; V103-T106 PolarHBondContact O-N 2.84Å; V103-T107 HydrophobicContact CG1-CG2 4.36Å; V103-T107 WeakPolarHBondContact O-CB 3.18Å; V103-T107 WeakPolarHBondContact O-CG2 3.41Å; V103-T107 PolarHBondContact O-N 3.43Å; V103-T107 PolarHBondContact O-OG1 3.43Å |
| 104 | H | 71.3 | Confident | 70.6 | Confident | 110 Ų | 110 | 103.8 Ų | 103.8 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.9 | -43.9 | 178.3 | -171.7 | -92.2 | 0 | 0 | 0 | 111.6 | T100 C101 I102 T107 M108 | T100-H104 WeakPolarHBondContact O-CB 3.35Å; T100-H104 PolarHBondContact O-N 3.22Å; C101-H104 PolarHBondContact O-N 2.86Å; I102-H104 VanDerWaalsContact C-N 3.35Å; I102-H104 PolarHBondContact O-N 3.44Å; H104-T107 VanDerWaalsContact CA-OG1 3.29Å; H104-T107 WeakPolarHBondContact CA-OG1 3.35Å; H104-T107 PolarHBondContact O-N 2.94Å; H104-T107 PolarHBondContact O-OG1 2.79Å; H104-M108 PolarHBondContact CE1-SD 3.43Å; H104-M108 PolarHBondContact ND1-SD 3.02Å; H104-M108 VanDerWaalsContact ND1-SD 3.43Å; H104-M108 WeakPolarHBondContact O-CB 3.14Å; H104-M108 VanDerWaalsContact O-CG 3.24Å; H104-M108 WeakPolarHBondContact O-CG 3.47Å; H104-M108 PolarHBondContact O-N 3.43Å |
| 105 | F | 74.3 | Confident | 70.7 | Confident | 162 Ų | 162 | 103.3 Ų | 103.3 | 71% | 0.711 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.8 | -44.9 | 176.3 | -130.6 | -90.5 | 0 | 0 | 0 | 111.8 | C101 I102 V103 M108 D109 | C101-F105 VanDerWaalsContact O-CB 3.31Å; C101-F105 WeakPolarHBondContact O-CB 3.33Å; C101-F105 PolarHBondContact O-N 2.88Å; I102-F105 PolarHBondContact O-N 2.77Å; V103-F105 VanDerWaalsContact C-N 3.33Å; V103-F105 PolarHBondContact O-N 3.25Å; F105-M108 PolarHBondContact O-N 2.96Å; F105-D109 WeakPolarHBondContact O-CB 3.46Å; F105-D109 PolarHBondContact O-N 3.22Å |
| 106 | T | 73.4 | Confident | 70.4 | Confident | 91 Ų | 91 | 102.5 Ų | 102.5 | 56% | 0.558 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.9 | -32.4 | 178.7 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | I102 V103 | I102-T106 WeakPolarHBondContact O-CB 3.31Å; I102-T106 PolarHBondContact O-N 2.87Å; I102-T106 PolarHBondContact O-OG1 3.32Å; V103-T106 PolarHBondContact O-N 2.84Å |
| 107 | T | 69.9 | Low | 70.3 | Confident | 88 Ų | 88 | 106.3 Ų | 106.3 | 54% | 0.54 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -75.9 | -24.2 | 171.8 | 47 | 0 | 0 | 0 | 0 | 113.4 | V103 H104 | V103-T107 HydrophobicContact CG1-CG2 4.36Å; V103-T107 WeakPolarHBondContact O-CB 3.18Å; V103-T107 WeakPolarHBondContact O-CG2 3.41Å; V103-T107 PolarHBondContact O-N 3.43Å; V103-T107 PolarHBondContact O-OG1 3.43Å; H104-T107 VanDerWaalsContact CA-OG1 3.29Å; H104-T107 WeakPolarHBondContact CA-OG1 3.35Å; H104-T107 PolarHBondContact O-N 2.94Å; H104-T107 PolarHBondContact O-OG1 2.79Å |
| 108 | M | 59 | Low | 70.1 | Confident | 135 Ų | 135 | 109.2 Ų | 109.2 | 67% | 0.665 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -85.6 | -16.7 | 175.6 | -76.2 | -170.7 | 78.4 | 0 | 0 | 113.4 | H104 F105 H110 | H104-M108 PolarHBondContact CE1-SD 3.43Å; H104-M108 PolarHBondContact ND1-SD 3.02Å; H104-M108 VanDerWaalsContact ND1-SD 3.43Å; H104-M108 WeakPolarHBondContact O-CB 3.14Å; H104-M108 VanDerWaalsContact O-CG 3.24Å; H104-M108 WeakPolarHBondContact O-CG 3.47Å; H104-M108 PolarHBondContact O-N 3.43Å; F105-M108 PolarHBondContact O-N 2.96Å; M108-H110 VanDerWaalsContact C-N 3.3Å |
| 109 | D | 57 | Low | 69.7 | Low | 146 Ų | 146 | 114.3 Ų | 114.3 | 78% | 0.781 | 61% | 0.606 | S | S | * | * | trans | -84.6 | -2.4 | 175.8 | -168.6 | -119.2 | 0 | 0 | 0 | 112.9 | F105 | F105-D109 WeakPolarHBondContact O-CB 3.46Å; F105-D109 PolarHBondContact O-N 3.22Å | ||
| 110 | H | 47 | Very low | 68.8 | Low | 224 Ų | 224 | 117.4 Ų | 117.4 | 100% | 1.037 | 62% | 0.617 | S | S | * | * | trans | -118.6 | 0 | -176.6 | -150.9 | -52.8 | 0 | 0 | 0 | 112.5 | M108 | M108-H110 VanDerWaalsContact C-N 3.3Š|
Retrieved 110 of 110 residues in 190.8 ms
(Link to these results)