| 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 | 44.9 | Very low | 47.9 | Very low | 225 Ų | 225 | 116.9 Ų | 116.9 | 100% | 1.108 | 63% | 0.629 | S | S | * | * | 0 | -21.3 | 0 | -69.2 | 173.9 | 87.5 | 0 | 0 | 115 | |||||
| 2 | K | 43.4 | Very low | 48.2 | Very low | 194 Ų | 194 | 115 Ų | 115 | 84% | 0.843 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -79.6 | -27.9 | -177.4 | -69.2 | 175.8 | 175.9 | 173.4 | 0 | 115.6 | ||
| 3 | L | 44.7 | Very low | 48.4 | Very low | 144 Ų | 144 | 111.6 Ų | 111.6 | 75% | 0.754 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.1 | -31.7 | -178.2 | -161.1 | 71.4 | 0 | 0 | 0 | 113.2 | L7 | L3-L7 PolarHBondContact O-N 3.26Å |
| 4 | S | 46.8 | Very low | 48.2 | Very low | 78 Ų | 78 | 110.1 Ų | 110.1 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.9 | -28.9 | 179.6 | -165.2 | 0 | 0 | 0 | 0 | 112.6 | L8 | S4-L8 WeakPolarHBondContact O-CB 3.3Å; S4-L8 WeakPolarHBondContact O-CD1 3.46Å; S4-L8 VanDerWaalsContact O-CG 3.3Å; S4-L8 WeakPolarHBondContact O-CG 3.47Å; S4-L8 PolarHBondContact O-N 3.36Å; S4-L8 VanDerWaalsContact O-N 3.15Å |
| 5 | C | 39 | Very low | 47.7 | Very low | 74 Ų | 74 | 110 Ų | 110 | 50% | 0.5 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.1 | -39 | 178.6 | -161.9 | 0 | 0 | 0 | 0 | 111.4 | L8 L9 | C5-L8 PolarHBondContact O-N 2.67Å; C5-L9 WeakPolarHBondContact O-CG 3.35Å; C5-L9 PolarHBondContact O-N 2.81Å |
| 6 | C | 45.9 | Very low | 47.2 | Very low | 77 Ų | 77 | 112.4 Ų | 112.4 | 52% | 0.52 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67 | -38.8 | 174.3 | -83.2 | 0 | 0 | 0 | 0 | 113 | L9 L10 | C6-L9 PolarHBondContact O-N 3.05Å; C6-L10 VanDerWaalsContact O-CG 3.31Å; C6-L10 WeakPolarHBondContact O-CG 3.45Å; C6-L10 PolarHBondContact O-N 3.39Å; C6-L10 VanDerWaalsContact O-N 3.09Å |
| 7 | L | 52.9 | Low | 46.8 | Very low | 110 Ų | 110 | 110.9 Ų | 110.9 | 58% | 0.576 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.9 | -40.1 | 174.6 | -106.3 | 94.7 | 0 | 0 | 0 | 111.8 | L3 L10 T11 | L3-L7 PolarHBondContact O-N 3.26Å; L7-L10 PolarHBondContact O-N 3.1Å; L7-T11 WeakPolarHBondContact O-CG2 3.41Å; L7-T11 PolarHBondContact O-N 3.02Å; L7-T11 PolarHBondContact O-OG1 3.49Å |
| 8 | L | 51.8 | Low | 46.4 | Very low | 102 Ų | 102 | 110.4 Ų | 110.4 | 53% | 0.534 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.9 | -35.9 | 177.1 | -77.4 | 164.5 | 0 | 0 | 0 | 112.6 | S4 C5 L10 T11 V12 | S4-L8 WeakPolarHBondContact O-CB 3.3Å; S4-L8 WeakPolarHBondContact O-CD1 3.46Å; S4-L8 VanDerWaalsContact O-CG 3.3Å; S4-L8 WeakPolarHBondContact O-CG 3.47Å; S4-L8 PolarHBondContact O-N 3.36Å; S4-L8 VanDerWaalsContact O-N 3.15Å; C5-L8 PolarHBondContact O-N 2.67Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-T11 WeakPolarHBondContact CA-OG1 3.39Å; L8-T11 PolarHBondContact O-N 3.04Å; L8-T11 PolarHBondContact O-OG1 2.89Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.45Å; L8-V12 PolarHBondContact O-N 3.02Å; L8-V12 VanDerWaalsContact O-N 3.1Å |
| 9 | L | 51.4 | Low | 45.8 | Very low | 116 Ų | 116 | 107.7 Ų | 107.7 | 61% | 0.607 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.7 | -33.9 | 174.1 | -72.1 | 168.2 | 0 | 0 | 0 | 112.2 | C5 C6 S13 | C5-L9 WeakPolarHBondContact O-CG 3.35Å; C5-L9 PolarHBondContact O-N 2.81Å; C6-L9 PolarHBondContact O-N 3.05Å; L9-S13 PolarHBondContact O-N 3.42Å; L9-S13 PolarHBondContact O-OG 3.15Å |
| 10 | L | 54 | Low | 45 | Very low | 98 Ų | 98 | 112.5 Ų | 112.5 | 51% | 0.513 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71.8 | -36.2 | 174.9 | -72 | 169.1 | 0 | 0 | 0 | 112.5 | C6 L7 L8 S13 V14 | C6-L10 VanDerWaalsContact O-CG 3.31Å; C6-L10 WeakPolarHBondContact O-CG 3.45Å; C6-L10 PolarHBondContact O-N 3.39Å; C6-L10 VanDerWaalsContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 3.1Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L10-S13 WeakPolarHBondContact CA-OG 3.32Å; L10-S13 PolarHBondContact O-OG 3.41Å; L10-V14 VanDerWaalsContact O-CG2 3.27Å; L10-V14 WeakPolarHBondContact O-CG2 3.37Å; L10-V14 PolarHBondContact O-N 3Å |
| 11 | T | 52.4 | Low | 44.3 | Very low | 68 Ų | 68 | 113 Ų | 113 | 42% | 0.417 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70 | -42.8 | 175.8 | 54.2 | 0 | 0 | 0 | 0 | 111.4 | L7 L8 S13 V14 D15 | L7-T11 WeakPolarHBondContact O-CG2 3.41Å; L7-T11 PolarHBondContact O-N 3.02Å; L7-T11 PolarHBondContact O-OG1 3.49Å; L8-T11 WeakPolarHBondContact CA-OG1 3.39Å; L8-T11 PolarHBondContact O-N 3.04Å; L8-T11 PolarHBondContact O-OG1 2.89Å; T11-S13 VanDerWaalsContact C-N 3.3Å; T11-S13 PolarHBondContact O-N 3.43Å; T11-V14 PolarHBondContact O-N 3.3Å; T11-D15 PolarHBondContact O-N 3.46Å; T11-D15 VanDerWaalsContact O-OD2 3.1Å |
| 12 | V | 50.8 | Low | 43.6 | Very low | 94 Ų | 94 | 108 Ų | 108 | 57% | 0.57 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.1 | -32 | 179 | 173.7 | 0 | 0 | 0 | 0 | 112.5 | L8 L16 | L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.45Å; L8-V12 PolarHBondContact O-N 3.02Å; L8-V12 VanDerWaalsContact O-N 3.1Å; V12-L16 PolarHBondContact O-N 2.94Å |
| 13 | S | 50.6 | Low | 42.9 | Very low | 71 Ų | 71 | 107.5 Ų | 107.5 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -78.7 | -24.8 | 176.8 | 40.8 | 0 | 0 | 0 | 0 | 113.7 | L9 L10 T11 | L9-S13 PolarHBondContact O-N 3.42Å; L9-S13 PolarHBondContact O-OG 3.15Å; L10-S13 WeakPolarHBondContact CA-OG 3.32Å; L10-S13 PolarHBondContact O-OG 3.41Å; T11-S13 VanDerWaalsContact C-N 3.3Å; T11-S13 PolarHBondContact O-N 3.43Å |
| 14 | V | 45.9 | Very low | 42.2 | Very low | 90 Ų | 90 | 106.7 Ų | 106.7 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -79.1 | -39.4 | 171.7 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | L10 T11 L16 A17 V18 | L10-V14 VanDerWaalsContact O-CG2 3.27Å; L10-V14 WeakPolarHBondContact O-CG2 3.37Å; L10-V14 PolarHBondContact O-N 3Å; T11-V14 PolarHBondContact O-N 3.3Å; V14-L16 PolarHBondContact O-N 3.41Å; V14-A17 PolarHBondContact O-N 3.28Å; V14-V18 WeakPolarHBondContact O-CG2 3.41Å; V14-V18 PolarHBondContact O-N 2.99Å |
| 15 | D | 40.7 | Very low | 41.4 | Very low | 109 Ų | 109 | 109.8 Ų | 109.8 | 58% | 0.583 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.3 | -31.4 | 179.5 | -69.7 | -39.2 | 0 | 0 | 0 | 112.8 | T11 A17 V18 G19 | T11-D15 PolarHBondContact O-N 3.46Å; T11-D15 VanDerWaalsContact O-OD2 3.1Å; D15-A17 VanDerWaalsContact C-N 3.25Å; D15-A17 PolarHBondContact O-N 3Å; D15-V18 PolarHBondContact O-N 3.01Å; D15-G19 PolarHBondContact O-N 3.42Å |
| 16 | L | 40.6 | Very low | 41 | Very low | 149 Ų | 149 | 112 Ų | 112 | 78% | 0.78 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.3 | -22.3 | 175 | -152.7 | 73.9 | 0 | 0 | 0 | 112.8 | V12 V14 | V12-L16 PolarHBondContact O-N 2.94Å; V14-L16 PolarHBondContact O-N 3.41Å |
| 17 | A | 39.6 | Very low | 40.4 | Very low | 86 Ų | 86 | 114.5 Ų | 114.5 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -86.8 | -18.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V14 D15 | V14-A17 PolarHBondContact O-N 3.28Å; D15-A17 VanDerWaalsContact C-N 3.25Å; D15-A17 PolarHBondContact O-N 3Å |
| 18 | V | 40.1 | Very low | 39.2 | Very low | 103 Ų | 103 | 115.8 Ų | 115.8 | 62% | 0.624 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -95.8 | -14.3 | -179.3 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | V14 D15 F20 | V14-V18 WeakPolarHBondContact O-CG2 3.41Å; V14-V18 PolarHBondContact O-N 2.99Å; D15-V18 PolarHBondContact O-N 3.01Å; V18-F20 VanDerWaalsContact C-N 3.34Å; V18-F20 PolarHBondContact O-N 3.11Å |
| 19 | G | 33.8 | Very low | 38.2 | Very low | 59 Ų | 59 | 122 Ų | 122 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -76.3 | 5.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | D15 | D15-G19 PolarHBondContact O-N 3.42Š|
| 20 | F | 30.6 | Very low | 37.2 | Very low | 202 Ų | 202 | 122.5 Ų | 122.5 | 89% | 0.886 | 69% | 0.694 | S | S | * | * | trans | -122.6 | 70.3 | 176.6 | -91.5 | -85.8 | 0 | 0 | 0 | 111.7 | V18 | V18-F20 VanDerWaalsContact C-N 3.34Å; V18-F20 PolarHBondContact O-N 3.11Å | ||
| 21 | T | 30.9 | Very low | 36.1 | Very low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | trans | -134.1 | 136.5 | 154 | 55.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 22 | V | 29.9 | Very low | 35 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | trans | 94 | 101.6 | 166.4 | -167.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 23 | E | 28.6 | Very low | 34.1 | Very low | 184 Ų | 184 | 130.2 Ų | 130.2 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | -141.3 | 102.9 | 125.4 | -97.5 | -168 | 140.4 | 0 | 0 | 111.1 | |||||
| 24 | N | 30.3 | Very low | 33 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 68% | 0.679 | 75% | 0.748 | S | S | * | * | trans | 37.9 | 109.7 | 136.1 | -55.1 | -53.8 | 0 | 0 | 0 | 121.7 | ||||
| 25 | V | 29.1 | Very low | 32.4 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 87% | 0.873 | 76% | 0.755 | S | S | * | * | trans | -135.7 | 121.3 | 140.9 | 177.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 26 | V | 31.6 | Very low | 31.9 | Very low | 121 Ų | 121 | 139 Ų | 139 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -64.8 | 135.1 | 178.6 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | N28 | V26-N28 HydrophobicContact CG1-CB 4.21Š| ||
| 27 | P | 32.3 | Very low | 31.5 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -106.1 | 103.1 | 158.9 | 32.3 | -19.8 | 0 | 0 | 0 | 109.4 | ||||
| 28 | N | 28.6 | Very low | 31.2 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | -120 | 98.8 | 163.4 | -153.6 | 9.2 | 0 | 0 | 0 | 108.8 | V26 | V26-N28 HydrophobicContact CG1-CB 4.21Š| ||
| 29 | R | 29.9 | Very low | 30.9 | Very low | 233 Ų | 233 | 142 Ų | 142 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -156.8 | 93.4 | 155 | -116.7 | 179.3 | -174.1 | -173.1 | 1.9 | 109.7 | V31 | R29-V31 PolarHBondContact O-N 2.99Š| ||
| 30 | T | 30.3 | Very low | 31.4 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -56.3 | 113.3 | 152.4 | 32.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 31 | V | 31.4 | Very low | 31.3 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | -116 | 111.6 | 159 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | R29 L33 | R29-V31 PolarHBondContact O-N 2.99Å; V31-L33 PolarHBondContact O-N 3.37Å | ||
| 32 | V | 28.8 | Very low | 32 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -54 | 124.7 | 178.1 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | R34 | V32-R34 VanDerWaalsContact C-N 3.3Å; V32-R34 HydrophobicContact CG1-CB 4.31Å; V32-R34 PolarHBondContact O-N 3.47Å | ||
| 33 | L | 33.3 | Very low | 32.2 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 94% | 0.942 | 79% | 0.785 | S | S | * | * | trans | -69.7 | 88.4 | 163.8 | -172.5 | 75.5 | 0 | 0 | 0 | 108 | V31 | V31-L33 PolarHBondContact O-N 3.37Š| ||
| 34 | R | 27.8 | Very low | 33 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | -94.4 | 108.6 | 170 | -170.5 | 174.8 | -82 | 170.5 | -8.8 | 108.9 | V32 F36 | V32-R34 VanDerWaalsContact C-N 3.3Å; V32-R34 HydrophobicContact CG1-CB 4.31Å; V32-R34 PolarHBondContact O-N 3.47Å; R34-F36 HydrophobicContact CG-CD2 4.02Å; R34-F36 HydrophobicContact CG-CE2 3.62Å; R34-F36 HydrophobicContact CG-CZ 4.17Å; R34-F36 PolarHBondContact O-N 2.94Å | ||
| 35 | S | 31.4 | Very low | 33.3 | Very low | 99 Ų | 99 | 149.1 Ų | 149.1 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -55.8 | 122.2 | 167.3 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 36 | F | 31.5 | Very low | 33.6 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | trans | -136.8 | 98.4 | 156.1 | -76.1 | -66.2 | 0 | 0 | 0 | 108.5 | R34 | R34-F36 HydrophobicContact CG-CD2 4.02Å; R34-F36 HydrophobicContact CG-CE2 3.62Å; R34-F36 HydrophobicContact CG-CZ 4.17Å; R34-F36 PolarHBondContact O-N 2.94Å | ||
| 37 | N | 32.8 | Very low | 34.1 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -71.3 | 117.1 | 155.1 | -90.6 | -20 | 0 | 0 | 0 | 108.1 | ||||
| 38 | T | 33.2 | Very low | 34.4 | Very low | 131 Ų | 131 | 149 Ų | 149 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -155.3 | 117.7 | 149.2 | -30.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 39 | S | 33.6 | Very low | 34.6 | Very low | 114 Ų | 114 | 149 Ų | 149 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 65.6 | 101.2 | 157.1 | -161.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 40 | L | 42.8 | Very low | 34.9 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -71.5 | 121.9 | 156 | -79.2 | 155.5 | 0 | 0 | 0 | 110.4 | ||||
| 41 | H | 29.8 | Very low | 35.7 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -156.9 | 147.4 | 138.7 | -131.4 | -110.7 | 0 | 0 | 0 | 110.4 | ||||
| 42 | P | 44.5 | Very low | 36.8 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 57% | 0.571 | 77% | 0.77 | S | S | * | * | trans | -96 | 137 | -143.8 | 36 | -31 | 0 | 0 | 0 | 112 | ||||
| 43 | V | 34.9 | Very low | 38.3 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | -123.7 | 63.6 | 155.3 | -171.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 44 | F | 44.2 | Very low | 40.5 | Very low | 199 Ų | 199 | 135.6 Ų | 135.6 | 87% | 0.873 | 74% | 0.737 | S | S | * | * | trans | -95.1 | 92.4 | 156.6 | -83.2 | -77.4 | 0 | 0 | 0 | 107.2 | ||||
| 45 | Q | 37 | Very low | 43.4 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 87% | 0.869 | 72% | 0.717 | S | S | * | * | trans | -172.7 | 106 | 162.1 | -101.5 | 165.9 | 9.6 | 0 | 0 | 103.9 | ||||
| 46 | A | 35.1 | Very low | 46.3 | Very low | 91 Ų | 91 | 126.7 Ų | 126.7 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | cis | -139.9 | 119.1 | 46.7 | 0 | 0 | 0 | 0 | 0 | 112 | V48 | A46-V48 PolarHBondContact O-N 3.2Š| ||
| 47 | L | 42.2 | Very low | 49.2 | Very low | 182 Ų | 182 | 124.2 Ų | 124.2 | 95% | 0.953 | 69% | 0.689 | S | S | * | * | trans | -91.6 | 79.4 | 154.4 | -144.1 | 92.6 | 0 | 0 | 0 | 106.6 | ||||
| 48 | V | 40.3 | Very low | 52.1 | Low | 117 Ų | 117 | 117.1 Ų | 117.1 | 71% | 0.709 | 65% | 0.652 | S | S | * | * | trans | -131.4 | 82.8 | 167.2 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | A46 | A46-V48 PolarHBondContact O-N 3.2Š| ||
| 49 | N | 32.3 | Very low | 54.8 | Low | 137 Ų | 137 | 116.3 Ų | 116.3 | 73% | 0.733 | 64% | 0.637 | S | S | * | * | trans | 163.9 | 101.8 | 136.1 | -78.8 | -8.5 | 0 | 0 | 0 | 106.2 | P51 | N49-P51 VanDerWaalsContact O-CD 3.3Å; N49-P51 WeakPolarHBondContact O-CD 3.25Å; N49-P51 VanDerWaalsContact O-N 3.1Å | ||
| 50 | S | 36.3 | Very low | 57.5 | Low | 119 Ų | 119 | 112.8 Ų | 112.8 | 83% | 0.832 | 61% | 0.608 | S | S | * | * | trans | -52.7 | 116.5 | 161.7 | -179.5 | 0 | 0 | 0 | 0 | 107 | A52 | S50-A52 PolarHBondContact O-N 3.38Å; S50-A52 VanDerWaalsContact O-N 3.13Å | ||
| 51 | P | 47.4 | Very low | 59.7 | Low | 95 Ų | 95 | 107.1 Ų | 107.1 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | trans | -71.4 | 117.1 | 177.1 | 28.4 | -28.1 | 0 | 0 | 0 | 105.7 | N49 Y53 | N49-P51 VanDerWaalsContact O-CD 3.3Å; N49-P51 WeakPolarHBondContact O-CD 3.25Å; N49-P51 VanDerWaalsContact O-N 3.1Å; P51-Y53 PolarHBondContact O-N 2.92Å | ||
| 52 | A | 52.8 | Low | 62.5 | Low | 60 Ų | 60 | 100.9 Ų | 100.9 | 50% | 0.496 | 57% | 0.566 | S | S | . | * | trans | -45 | 118.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | S50 H54 | S50-A52 PolarHBondContact O-N 3.38Å; S50-A52 VanDerWaalsContact O-N 3.13Å; A52-H54 VanDerWaalsContact C-N 3.3Å; A52-H54 PolarHBondContact O-CD2 2.87Å; A52-H54 PolarHBondContact O-N 3.5Å | ||
| 53 | Y | 60.5 | Low | 64.8 | Low | 168 Ų | 168 | 100.4 Ų | 100.4 | 66% | 0.659 | 56% | 0.564 | S | S | * | * | trans | -63.9 | 95.5 | -175.6 | -156.2 | -98.5 | 0 | 0 | 0 | 107 | P51 D55 | P51-Y53 PolarHBondContact O-N 2.92Å; Y53-D55 VanDerWaalsContact CD1-CG 3.42Å; Y53-D55 WeakPolarHBondContact CD1-OD1 3.18Å; Y53-D55 VanDerWaalsContact CE1-CG 3.48Å; Y53-D55 WeakPolarHBondContact CE1-OD1 3.42Å; Y53-D55 WeakPolarHBondContact CE1-OD2 3.39Å; Y53-D55 PolarHBondContact O-N 3.14Å | ||
| 54 | H | 80.1 | Confident | 67.6 | Low | 58 Ų | 58 | 94.6 Ų | 94.6 | 27% | 0.269 | 53% | 0.529 | S | S | . | . | trans | -85.9 | 97.1 | -177.5 | -70.6 | -55.9 | 0 | 0 | 0 | 107.8 | A52 Y130 V132 T133 | A52-H54 VanDerWaalsContact C-N 3.3Å; A52-H54 PolarHBondContact O-CD2 2.87Å; A52-H54 PolarHBondContact O-N 3.5Å; H54-Y130 AromaticContact CD2-CE2 3.67Å; H54-Y130 AromaticContact CD2-CZ 3.62Å; H54-Y130 PolarHBondContact CD2-OH 3.23Å; H54-Y130 PolarHBondContact NE2-OH 3.21Å; H54-V132 HydrophobicContact CB-CG1 4.46Å; H54-V132 HydrophobicContact CB-CG2 4.36Å; H54-V132 VanDerWaalsContact O-CG1 3.29Å; H54-V132 WeakPolarHBondContact O-CG1 3.4Å; H54-T133 PolarHBondContact O-N 3.38Å | ||
| 55 | D | 89.4 | Confident | 69.9 | Low | 57 Ų | 57 | 89.3 Ų | 89.3 | 31% | 0.305 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128.5 | 173.8 | -77.2 | 0.6 | 0 | 0 | 0 | 109.6 | Y53 T133 R135 | Y53-D55 VanDerWaalsContact CD1-CG 3.42Å; Y53-D55 WeakPolarHBondContact CD1-OD1 3.18Å; Y53-D55 VanDerWaalsContact CE1-CG 3.48Å; Y53-D55 WeakPolarHBondContact CE1-OD1 3.42Å; Y53-D55 WeakPolarHBondContact CE1-OD2 3.39Å; Y53-D55 PolarHBondContact O-N 3.14Å; D55-T133 WeakPolarHBondContact CA-O 3.37Å; D55-T133 VanDerWaalsContact OD1-CB 3.28Å; D55-T133 WeakPolarHBondContact OD1-CB 3.37Å; D55-R135 IonicContact OD2-CZ 3.78Å; D55-R135 VanDerWaalsContact OD2-CZ 3.23Å; D55-R135 IonicContact OD2-NE 3.91Å; D55-R135 PolarHBondContact OD2-NE 3.39Å; D55-R135 IonicContact OD2-NH2 2.81Å; D55-R135 PolarHBondContact OD2-NH2 3.49Å |
| 56 | I | 92.1 | Very high | 72.6 | Confident | 46 Ų | 46 | 80.4 Ų | 80.4 | 24% | 0.236 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.5 | 171.3 | -59.3 | 178.6 | 0 | 0 | 0 | 107.5 | V64 I66 V132 T133 L134 R135 | I56-V64 HydrophobicContact CG2-CG2 3.59Å; I56-I66 HydrophobicContact CD1-CB 4.33Å; I56-I66 HydrophobicContact CD1-CG1 4.12Å; I56-I66 HydrophobicContact CD1-CG2 4.03Å; I56-V132 HydrophobicContact CD1-CG1 3.59Å; I56-V132 HydrophobicContact CG1-CG1 3.73Å; I56-T133 PolarHBondContact N-O 2.83Å; I56-L134 HydrophobicContact CB-CD1 4.35Å; I56-L134 HydrophobicContact CG2-CD1 4.22Å; I56-R135 PolarHBondContact O-N 2.82Å |
| 57 | I | 92.5 | Very high | 75.3 | Confident | 113 Ų | 113 | 81.3 Ų | 81.3 | 58% | 0.579 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.1 | 178.2 | -57 | 175.7 | 0 | 0 | 0 | 108.1 | R135 I137 | I57-R135 CarbonylContact C-O 3.56Å; I57-R135 WeakPolarHBondContact CA-O 3.44Å; I57-R135 HydrophobicContact CG1-CB 4.25Å; I57-I137 HydrophobicContact CG2-CD1 3.43Å; I57-I137 VanDerWaalsContact CG2-CD1 3.43Å; I57-I137 HydrophobicContact CG2-CG1 3.7Å |
| 58 | A | 92.7 | Very high | 77.5 | Confident | 7 Ų | 7 | 72.8 Ų | 72.8 | 6% | 0.058 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 147.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V64 V109 L134 R135 V136 I137 | A58-V64 HydrophobicContact CB-CB 4.08Å; A58-V64 HydrophobicContact CB-CG1 4.47Å; A58-V64 HydrophobicContact CB-CG2 4.24Å; A58-V109 HydrophobicContact CB-CG1 4.31Å; A58-V109 HydrophobicContact CB-CG2 4.39Å; A58-L134 HydrophobicContact CB-CD1 3.91Å; A58-R135 PolarHBondContact N-O 3.4Å; A58-V136 CarbonylContact O-C 3.53Å; A58-V136 VanDerWaalsContact O-CA 3.28Å; A58-V136 WeakPolarHBondContact O-CA 3.21Å; A58-I137 PolarHBondContact O-N 2.89Å |
| 59 | K | 90.9 | Very high | 79.7 | Confident | 113 Ų | 113 | 73.7 Ų | 73.7 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 143.1 | 171.3 | 175.8 | 172.1 | 165.7 | 171.8 | 0 | 109.5 | G61 T62 T139 | K59-G61 PolarHBondContact O-N 3.22Å; K59-T62 HydrophobicContact CB-CG2 3.84Å; K59-T62 HydrophobicContact CG-CG2 4.24Å; K59-T62 PolarHBondContact N-OG1 3.46Å; K59-T62 WeakPolarHBondContact O-CB 3.27Å; K59-T62 PolarHBondContact O-N 3.31Å; K59-T62 VanDerWaalsContact O-N 3.12Å; K59-T62 PolarHBondContact O-OG1 3.27Å; K59-T139 HydrophobicContact CD-CG2 3.77Å; K59-T139 VanDerWaalsContact CE-CG2 3.48Å; K59-T139 WeakPolarHBondContact CE-OG1 3.43Å; K59-T139 HydrophobicContact CG-CG2 3.63Å; K59-T139 WeakPolarHBondContact CG-OG1 3.27Å |
| 60 | E | 90.2 | Very high | 82.3 | Confident | 40 Ų | 40 | 67.9 Ų | 67.9 | 19% | 0.187 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 136.7 | 174.4 | -173.1 | 175.8 | -139.5 | 0 | 0 | 111.5 | T62 V109 N110 V136 I137 F138 T139 | E60-T62 VanDerWaalsContact C-N 3.25Å; E60-T62 PolarHBondContact O-N 3.45Å; E60-V109 CarbonylContact C-O 3.59Å; E60-V109 WeakPolarHBondContact CA-O 3.49Å; E60-N110 PolarHBondContact OE1-OD1 2.81Å; E60-V136 HydrophobicContact CB-CG1 4.29Å; E60-I137 PolarHBondContact N-O 3.3Å; E60-F138 WeakPolarHBondContact OE1-CE2 3.36Å; E60-F138 WeakPolarHBondContact OE2-CD2 3.31Å; E60-F138 VanDerWaalsContact OE2-CE2 3.3Å; E60-F138 WeakPolarHBondContact OE2-CE2 3.4Å; E60-T139 PolarHBondContact OE2-N 3.41Å |
| 61 | G | 88.1 | Confident | 84.5 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 53% | 0.526 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -11.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K59 V109 | K59-G61 PolarHBondContact O-N 3.22Å; G61-V109 PolarHBondContact N-O 3.17Å |
| 62 | T | 90.2 | Very high | 85.8 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 34% | 0.337 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -83 | 167.9 | 174.2 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | K59 E60 K108 V109 | K59-T62 HydrophobicContact CB-CG2 3.84Å; K59-T62 HydrophobicContact CG-CG2 4.24Å; K59-T62 PolarHBondContact N-OG1 3.46Å; K59-T62 WeakPolarHBondContact O-CB 3.27Å; K59-T62 PolarHBondContact O-N 3.31Å; K59-T62 VanDerWaalsContact O-N 3.12Å; K59-T62 PolarHBondContact O-OG1 3.27Å; E60-T62 VanDerWaalsContact C-N 3.25Å; E60-T62 PolarHBondContact O-N 3.45Å; T62-K108 PolarHBondContact O-N 2.82Å; T62-V109 WeakPolarHBondContact O-CB 3.42Å; T62-V109 WeakPolarHBondContact O-CG2 3.23Å; T62-V109 PolarHBondContact O-N 3.09Å |
| 63 | S | 91.6 | Very high | 87.1 | Confident | 77 Ų | 77 | 67.6 Ų | 67.6 | 54% | 0.538 | 36% | 0.359 | S | S | . | . | trans | -98.3 | 144.7 | 171 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | I106 | S63-I106 CarbonylContact C-O 3.56Å; S63-I106 VanDerWaalsContact CA-O 3.22Å; S63-I106 WeakPolarHBondContact CA-O 3.07Å | ||
| 64 | V | 93.4 | Very high | 88.1 | Confident | 15 Ų | 15 | 65 Ų | 65 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 140 | 179 | 67.4 | 0 | 0 | 0 | 0 | 110.7 | I56 A58 N105 I106 V109 L134 | I56-V64 HydrophobicContact CG2-CG2 3.59Å; A58-V64 HydrophobicContact CB-CB 4.08Å; A58-V64 HydrophobicContact CB-CG1 4.47Å; A58-V64 HydrophobicContact CB-CG2 4.24Å; V64-N105 WeakPolarHBondContact O-CA 2.86Å; V64-N105 PolarHBondContact O-OD1 2.98Å; V64-I106 HydrophobicContact CG1-CB 3.94Å; V64-I106 HydrophobicContact CG1-CD1 4.31Å; V64-I106 HydrophobicContact CG1-CG1 4.41Å; V64-I106 PolarHBondContact N-O 3.44Å; V64-I106 PolarHBondContact O-N 2.88Å; V64-V109 HydrophobicContact CB-CG2 4.17Å; V64-V109 HydrophobicContact CG1-CG2 3.5Å; V64-V109 VanDerWaalsContact CG1-CG2 3.5Å; V64-L134 HydrophobicContact CG1-CD1 4.14Å; V64-L134 HydrophobicContact CG1-CD2 4.38Å; V64-L134 HydrophobicContact CG2-CD1 4.21Å |
| 65 | L | 92.8 | Very high | 88.3 | Confident | 88 Ų | 88 | 64.8 Ų | 64.8 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.9 | 173.8 | -173 | 70.6 | 0 | 0 | 0 | 109.3 | E67 N105 | L65-E67 HydrophobicContact CD2-CG 4.37Å; L65-E67 HydrophobicContact CG-CG 4.47Å; L65-N105 HydrophobicContact CD1-CB 3.96Å |
| 66 | I | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 110.3 | 177.6 | -49.9 | -177.6 | 0 | 0 | 0 | 108.1 | I56 W80 S103 L104 I106 Y117 V132 | I56-I66 HydrophobicContact CD1-CB 4.33Å; I56-I66 HydrophobicContact CD1-CG1 4.12Å; I56-I66 HydrophobicContact CD1-CG2 4.03Å; I66-W80 HydrophobicContact CB-CH2 4.16Å; I66-W80 HydrophobicContact CG2-CH2 3.6Å; I66-W80 HydrophobicContact CG2-CZ3 4.02Å; I66-W80 WeakPolarHBondContact O-CZ2 3.23Å; I66-S103 CarbonylContact O-C 3.58Å; I66-S103 VanDerWaalsContact O-CA 3.3Å; I66-S103 WeakPolarHBondContact O-CA 3.2Å; I66-L104 HydrophobicContact CB-CB 4.38Å; I66-L104 HydrophobicContact CD1-CD2 4.48Å; I66-L104 PolarHBondContact N-O 2.96Å; I66-L104 PolarHBondContact O-N 3.45Å; I66-I106 HydrophobicContact CD1-CD1 4.03Å; I66-Y117 HydrophobicContact CD1-CD1 4.38Å; I66-Y117 HydrophobicContact CD1-CD2 4.12Å; I66-Y117 HydrophobicContact CD1-CG 3.99Å; I66-V132 HydrophobicContact CG2-CB 4Å; I66-V132 HydrophobicContact CG2-CG1 4.01Å; I66-V132 HydrophobicContact CG2-CG2 3.99Å |
| 67 | E | 91.5 | Very high | 87.9 | Confident | 110 Ų | 110 | 70.4 Ų | 70.4 | 51% | 0.514 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 132.4 | 179.8 | -60 | -177.1 | 168.5 | 0 | 0 | 111.4 | L65 K69 Y130 | L65-E67 HydrophobicContact CD2-CG 4.37Å; L65-E67 HydrophobicContact CG-CG 4.47Å; E67-K69 PolarHBondContact O-N 3.07Å; E67-Y130 WeakPolarHBondContact O-CE1 3.29Å |
| 68 | C | 89.9 | Confident | 87.8 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | trans | -82.8 | 110.5 | 171 | -171.1 | 0 | 0 | 0 | 0 | 110.1 | V70 W80 N102 C119 Y130 | C68-V70 PolarHBondContact O-N 3.1Å; C68-V70 WeakPolarHBondContact SG-CG2 3.46Å; C68-W80 HydrophobicContact CB-CH2 4.33Å; C68-W80 HydrophobicContact CB-CZ2 3.83Å; C68-N102 HydrophobicContact CB-CB 4.29Å; C68-N102 WeakPolarHBondContact CB-O 3.28Å; C68-N102 PolarHBondContact N-O 2.71Å; C68-N102 PolarHBondContact O-ND2 3.14Å; C68-C119 HydrophobicContact CB-CB 3.68Å; C68-C119 WeakPolarHBondContact CB-SG 3.39Å; C68-C119 WeakPolarHBondContact SG-CB 3.35Å; C68-C119 CovalentContact SG-SG 2.04Å; C68-C119 PolarHBondContact SG-SG 3.35Å; C68-Y130 HydrophobicContact CB-CD1 4.42Å | ||
| 69 | K | 86.8 | Confident | 87.7 | Confident | 136 Ų | 136 | 68.6 Ų | 68.6 | 59% | 0.591 | 36% | 0.359 | S | S | * | . | trans | -78.6 | 51.6 | 179.5 | -62.8 | -171.2 | -178 | 179 | 0 | 112.6 | E67 Y130 | E67-K69 PolarHBondContact O-N 3.07Å; K69-Y130 HydrophobicContact CB-CD2 4.48Å; K69-Y130 HydrophobicContact CB-CE1 4.35Å; K69-Y130 HydrophobicContact CB-CE2 3.9Å; K69-Y130 WeakPolarHBondContact CD-OH 3.44Å; K69-Y130 HydrophobicContact CG-CE1 4.4Å; K69-Y130 HydrophobicContact CG-CE2 4.42Å | ||
| 70 | V | 85.3 | Confident | 87.8 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 10% | 0.097 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -117.2 | 140.7 | 177.8 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | C68 I72 Y75 A121 L128 Y130 | C68-V70 PolarHBondContact O-N 3.1Å; C68-V70 WeakPolarHBondContact SG-CG2 3.46Å; V70-I72 PolarHBondContact O-N 3.49Å; V70-Y75 HydrophobicContact CG1-CD2 3.67Å; V70-Y75 HydrophobicContact CG1-CE2 3.29Å; V70-A121 HydrophobicContact CB-CB 4.41Å; V70-A121 HydrophobicContact CG1-CB 3.74Å; V70-L128 HydrophobicContact CB-CD2 4.19Å; V70-L128 HydrophobicContact CG1-CD2 3.56Å; V70-L128 HydrophobicContact CG2-CD2 3.56Å; V70-Y130 HydrophobicContact CG2-CG 4.41Å |
| 71 | N | 82.4 | Confident | 87.9 | Confident | 89 Ų | 89 | 64.8 Ų | 64.8 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | trans | -70.9 | 96.4 | 179.4 | -174.3 | -0.1 | 0 | 0 | 0 | 110.6 | S73 Q74 Y75 | N71-S73 VanDerWaalsContact CG-OG 3.3Å; N71-S73 PolarHBondContact ND2-OG 2.96Å; N71-S73 PolarHBondContact O-N 2.98Å; N71-S73 VanDerWaalsContact O-N 3.1Å; N71-S73 PolarHBondContact OD1-N 3.41Å; N71-S73 PolarHBondContact OD1-OG 3.24Å; N71-Q74 PolarHBondContact O-N 2.66Å; N71-Q74 VanDerWaalsContact O-N 3.11Å; N71-Y75 WeakPolarHBondContact O-CD2 3.31Å | ||
| 72 | I | 75.8 | Confident | 88.1 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 40% | 0.395 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -54.3 | -33.7 | -174.2 | -49.8 | 169.4 | 0 | 0 | 0 | 111.9 | V70 Q74 Y75 I78 N102 | V70-I72 PolarHBondContact O-N 3.49Å; I72-Q74 PolarHBondContact O-N 3.22Å; I72-Y75 PolarHBondContact O-N 3.09Å; I72-Y75 VanDerWaalsContact O-O 3.13Å; I72-I78 HydrophobicContact CG1-CD1 4.24Å; I72-I78 HydrophobicContact CG2-CD1 4.41Å; I72-N102 HydrophobicContact CD1-CB 3.55Å; I72-N102 HydrophobicContact CG1-CB 3.87Å |
| 73 | S | 79.8 | Confident | 88.2 | Confident | 102 Ų | 102 | 62.4 Ų | 62.4 | 71% | 0.713 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -59.8 | -18.4 | -178.4 | 64.8 | 0 | 0 | 0 | 0 | 114.6 | N71 | N71-S73 VanDerWaalsContact CG-OG 3.3Å; N71-S73 PolarHBondContact ND2-OG 2.96Å; N71-S73 PolarHBondContact O-N 2.98Å; N71-S73 VanDerWaalsContact O-N 3.1Å; N71-S73 PolarHBondContact OD1-N 3.41Å; N71-S73 PolarHBondContact OD1-OG 3.24Å |
| 74 | Q | 81.3 | Confident | 88.2 | Confident | 113 Ų | 113 | 67.2 Ų | 67.2 | 53% | 0.528 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -99.2 | 1.5 | -179.2 | -63 | -177.6 | -27.7 | 0 | 0 | 113.6 | N71 I72 N123 | N71-Q74 PolarHBondContact O-N 2.66Å; N71-Q74 VanDerWaalsContact O-N 3.11Å; I72-Q74 PolarHBondContact O-N 3.22Å; Q74-N123 PolarHBondContact O-ND2 3.38Å |
| 75 | Y | 85.4 | Confident | 87.9 | Confident | 53 Ų | 53 | 68.9 Ų | 68.9 | 21% | 0.208 | 34% | 0.343 | C | S | . | . | trans | -132.1 | 148.4 | -174.5 | -59.3 | -89.8 | 0 | 0 | 0 | 111.3 | V70 N71 I72 A121 N123 L128 | V70-Y75 HydrophobicContact CG1-CD2 3.67Å; V70-Y75 HydrophobicContact CG1-CE2 3.29Å; N71-Y75 WeakPolarHBondContact O-CD2 3.31Å; I72-Y75 PolarHBondContact O-N 3.09Å; I72-Y75 VanDerWaalsContact O-O 3.13Å; Y75-A121 VanDerWaalsContact CD1-C 3.48Å; Y75-A121 HydrophobicContact CD1-CB 3.62Å; Y75-A121 VanDerWaalsContact CD1-O 3.31Å; Y75-A121 WeakPolarHBondContact CD1-O 3.35Å; Y75-A121 HydrophobicContact CD2-CB 3.99Å; Y75-A121 HydrophobicContact CE1-CB 4.02Å; Y75-A121 HydrophobicContact CE2-CB 4.39Å; Y75-A121 HydrophobicContact CG-CB 3.61Å; Y75-N123 HydrophobicContact CD1-CB 3.73Å; Y75-N123 HydrophobicContact CE1-CB 4.29Å; Y75-N123 HydrophobicContact CG-CB 4.46Å; Y75-L128 HydrophobicContact CE1-CB 3.88Å | ||
| 76 | E | 86.8 | Confident | 87.8 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 48% | 0.477 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -84.6 | -37.1 | -175.1 | -67.1 | -174.6 | 154.6 | 0 | 0 | 112.2 | V122 R124 | E76-V122 PolarHBondContact N-O 3.24Å; E76-R124 WeakPolarHBondContact OE1-CG 3.21Å; E76-R124 IonicContact OE1-CZ 3.44Å; E76-R124 IonicContact OE1-NE 2.72Å; E76-R124 PolarHBondContact OE1-NE 3.4Å; E76-R124 IonicContact OE1-NH2 3.31Å; E76-R124 PolarHBondContact OE1-NH2 2.85Å |
| 77 | Y | 85.9 | Confident | 87.7 | Confident | 120 Ų | 120 | 74.4 Ų | 74.4 | 47% | 0.471 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 157.3 | 177.1 | 55.9 | -88.8 | 0 | 0 | 0 | 112 | L79 V122 | Y77-L79 HydrophobicContact CD2-CD1 4.44Å; Y77-L79 HydrophobicContact CD2-CD2 4.03Å; Y77-L79 HydrophobicContact CD2-CG 3.99Å; Y77-L79 HydrophobicContact CE2-CD1 4.04Å; Y77-L79 HydrophobicContact CE2-CD2 4.31Å; Y77-L79 HydrophobicContact CE2-CG 4.1Å; Y77-V122 HydrophobicContact CD2-CB 4.07Å; Y77-V122 HydrophobicContact CD2-CG2 4.19Å; Y77-V122 HydrophobicContact CE1-CB 4.15Å; Y77-V122 HydrophobicContact CE1-CG1 4.15Å; Y77-V122 HydrophobicContact CE2-CB 3.58Å; Y77-V122 HydrophobicContact CE2-CG1 4.06Å; Y77-V122 HydrophobicContact CE2-CG2 3.6Å; Y77-V122 PolarHBondContact O-N 2.94Å; Y77-V122 WeakPolarHBondContact OH-CG1 3.43Å |
| 78 | I | 89.1 | Confident | 87.6 | Confident | 30 Ų | 30 | 69.7 Ų | 69.7 | 15% | 0.154 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.8 | -179.8 | -64.5 | 173.6 | 0 | 0 | 0 | 109.5 | I72 N102 C119 A121 | I72-I78 HydrophobicContact CG1-CD1 4.24Å; I72-I78 HydrophobicContact CG2-CD1 4.41Å; I78-N102 HydrophobicContact CD1-CB 3.55Å; I78-C119 WeakPolarHBondContact CG2-SG 3.3Å; I78-A121 HydrophobicContact CG1-CB 4.44Å |
| 79 | L | 91 | Very high | 87.3 | Confident | 52 Ų | 52 | 76.5 Ų | 76.5 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 138.2 | 176.3 | -59.2 | 178 | 0 | 0 | 0 | 110.1 | Y77 Y81 L87 C119 A120 V122 | Y77-L79 HydrophobicContact CD2-CD1 4.44Å; Y77-L79 HydrophobicContact CD2-CD2 4.03Å; Y77-L79 HydrophobicContact CD2-CG 3.99Å; Y77-L79 HydrophobicContact CE2-CD1 4.04Å; Y77-L79 HydrophobicContact CE2-CD2 4.31Å; Y77-L79 HydrophobicContact CE2-CG 4.1Å; L79-Y81 HydrophobicContact CB-CE2 4.19Å; L79-L87 HydrophobicContact CB-CD1 3.8Å; L79-L87 HydrophobicContact CD1-CD1 4.42Å; L79-L87 HydrophobicContact CD2-CD1 4.22Å; L79-L87 HydrophobicContact CG-CD1 4.37Å; L79-C119 CarbonylContact O-C 3.52Å; L79-C119 WeakPolarHBondContact O-CA 3.39Å; L79-A120 HydrophobicContact CB-CB 4.33Å; L79-A120 PolarHBondContact N-O 3.46Å; L79-A120 PolarHBondContact O-N 2.74Å; L79-V122 HydrophobicContact CD1-CG2 4.34Å |
| 80 | W | 92.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 0% | 0.004 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.2 | 177.4 | -84.8 | 101 | 0 | 0 | 0 | 111.8 | I66 C68 L88 I99 N102 L104 C119 | I66-W80 HydrophobicContact CB-CH2 4.16Å; I66-W80 HydrophobicContact CG2-CH2 3.6Å; I66-W80 HydrophobicContact CG2-CZ3 4.02Å; I66-W80 WeakPolarHBondContact O-CZ2 3.23Å; C68-W80 HydrophobicContact CB-CH2 4.33Å; C68-W80 HydrophobicContact CB-CZ2 3.83Å; W80-L88 HydrophobicContact CB-CB 4.21Å; W80-L88 HydrophobicContact CB-CD1 4.27Å; W80-L88 PolarHBondContact O-N 3.36Å; W80-I99 HydrophobicContact CB-CD1 4.11Å; W80-N102 WeakPolarHBondContact CZ2-O 3.48Å; W80-L104 HydrophobicContact CD2-CB 3.71Å; W80-L104 HydrophobicContact CD2-CD2 4.08Å; W80-L104 HydrophobicContact CD2-CG 4.44Å; W80-L104 HydrophobicContact CE3-CB 4.12Å; W80-L104 HydrophobicContact CE3-CD2 3.86Å; W80-L104 HydrophobicContact CG-CB 4.09Å; W80-L104 HydrophobicContact CG-CD2 4.4Å; W80-L104 HydrophobicContact CH2-CB 4.33Å; W80-L104 HydrophobicContact CZ2-CB 3.93Å; W80-L104 HydrophobicContact CZ3-CB 4.41Å; W80-L104 HydrophobicContact CZ3-CD2 4.39Å; W80-C119 HydrophobicContact CD2-CB 4.17Å; W80-C119 HydrophobicContact CE3-CB 4.08Å; W80-C119 HydrophobicContact CH2-CB 3.81Å; W80-C119 HydrophobicContact CZ2-CB 3.9Å; W80-C119 HydrophobicContact CZ3-CB 3.9Å |
| 81 | Y | 92.7 | Very high | 85.7 | Confident | 71 Ų | 71 | 80.8 Ų | 80.8 | 28% | 0.278 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.9 | 173.6 | -63 | -92.4 | 0 | 0 | 0 | 109.7 | L79 H86 L87 Y117 T118 A120 | L79-Y81 HydrophobicContact CB-CE2 4.19Å; Y81-H86 WeakPolarHBondContact CA-O 3.39Å; Y81-L87 HydrophobicContact CD1-CB 4.32Å; Y81-L87 HydrophobicContact CD1-CD1 4.49Å; Y81-L87 HydrophobicContact CE1-CB 4.05Å; Y81-L87 HydrophobicContact CE1-CD1 4.05Å; Y81-L87 HydrophobicContact CE2-CD1 4.29Å; Y81-Y117 WeakPolarHBondContact O-CA 3.17Å; Y81-T118 PolarHBondContact N-O 3.43Å; Y81-T118 PolarHBondContact O-N 2.92Å; Y81-A120 HydrophobicContact CD2-CB 4.42Å; Y81-A120 HydrophobicContact CE2-CB 3.83Å |
| 82 | N | 93.1 | Very high | 84.5 | Confident | 21 Ų | 21 | 83.1 Ų | 83.1 | 11% | 0.112 | 41% | 0.41 | C | S | . | . | trans | -76.5 | 178.5 | 177.1 | 72.6 | 11 | 0 | 0 | 0 | 112.7 | R84 G85 H86 L88 Y117 | N82-R84 PolarHBondContact O-N 2.89Å; N82-R84 WeakPolarHBondContact OD1-CA 3.27Å; N82-R84 WeakPolarHBondContact OD1-CB 3.34Å; N82-R84 PolarHBondContact OD1-N 3.43Å; N82-G85 PolarHBondContact O-N 3.02Å; N82-G85 PolarHBondContact OD1-N 3.39Å; N82-G85 VanDerWaalsContact OD1-N 3.12Å; N82-H86 PolarHBondContact N-O 3.35Å; N82-H86 PolarHBondContact OD1-N 3.3Å; N82-L88 HydrophobicContact CB-CD1 4.21Å; N82-L88 HydrophobicContact CB-CD2 3.94Å; N82-L88 HydrophobicContact CB-CG 4.13Å; N82-Y117 HydrophobicContact CB-CD1 4.4Å; N82-Y117 HydrophobicContact CB-CE1 3.92Å | ||
| 83 | S | 92 | Very high | 83.6 | Confident | 36 Ų | 36 | 88.3 Ų | 88.3 | 25% | 0.252 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.3 | 178.6 | 62.2 | 0 | 0 | 0 | 0 | 115.4 | R114 R116 | S83-R114 WeakPolarHBondContact CB-O 3.31Å; S83-R114 PolarHBondContact OG-O 3.47Å; S83-R116 WeakPolarHBondContact CA-O 3.46Å |
| 84 | R | 91 | Very high | 82.6 | Confident | 178 Ų | 178 | 87.4 Ų | 87.4 | 67% | 0.672 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -1.1 | 177.9 | -59.1 | 179.7 | -172.8 | -115.4 | -1 | 112.9 | N82 | N82-R84 PolarHBondContact O-N 2.89Å; N82-R84 WeakPolarHBondContact OD1-CA 3.27Å; N82-R84 WeakPolarHBondContact OD1-CB 3.34Å; N82-R84 PolarHBondContact OD1-N 3.43Å |
| 85 | G | 88.3 | Confident | 82.2 | Confident | 50 Ų | 50 | 83.1 Ų | 83.1 | 52% | 0.515 | 43% | 0.425 | S | S | . | . | S | Bend | trans | 81.1 | 13.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N82 | N82-G85 PolarHBondContact O-N 3.02Å; N82-G85 PolarHBondContact OD1-N 3.39Å; N82-G85 VanDerWaalsContact OD1-N 3.12Å |
| 86 | H | 90.6 | Very high | 82.1 | Confident | 118 Ų | 118 | 86 Ų | 86 | 55% | 0.546 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 135.7 | 173.1 | -60.7 | -68.6 | 0 | 0 | 0 | 110.8 | Y81 N82 L88 | Y81-H86 WeakPolarHBondContact CA-O 3.39Å; N82-H86 PolarHBondContact N-O 3.35Å; N82-H86 PolarHBondContact OD1-N 3.3Å; H86-L88 PolarHBondContact O-N 2.91Å |
| 87 | L | 90.7 | Very high | 82.1 | Confident | 85 Ų | 85 | 83.8 Ų | 83.8 | 45% | 0.445 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 126 | 171.5 | -176.8 | 67.8 | 0 | 0 | 0 | 109.4 | L79 Y81 | L79-L87 HydrophobicContact CB-CD1 3.8Å; L79-L87 HydrophobicContact CD1-CD1 4.42Å; L79-L87 HydrophobicContact CD2-CD1 4.22Å; L79-L87 HydrophobicContact CG-CD1 4.37Å; Y81-L87 HydrophobicContact CD1-CB 4.32Å; Y81-L87 HydrophobicContact CD1-CD1 4.49Å; Y81-L87 HydrophobicContact CE1-CB 4.05Å; Y81-L87 HydrophobicContact CE1-CD1 4.05Å; Y81-L87 HydrophobicContact CE2-CD1 4.29Å |
| 88 | L | 89.4 | Confident | 82.2 | Confident | 12 Ų | 12 | 81.9 Ų | 81.9 | 6% | 0.063 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 116 | 174.2 | -64.4 | -179.8 | 0 | 0 | 0 | 108.3 | W80 N82 H86 W97 I99 L104 | W80-L88 HydrophobicContact CB-CB 4.21Å; W80-L88 HydrophobicContact CB-CD1 4.27Å; W80-L88 PolarHBondContact O-N 3.36Å; N82-L88 HydrophobicContact CB-CD1 4.21Å; N82-L88 HydrophobicContact CB-CD2 3.94Å; N82-L88 HydrophobicContact CB-CG 4.13Å; H86-L88 PolarHBondContact O-N 2.91Å; L88-W97 HydrophobicContact CD2-CD2 4.07Å; L88-W97 HydrophobicContact CD2-CG 4.38Å; L88-W97 HydrophobicContact CD2-CZ2 4.14Å; L88-I99 HydrophobicContact CB-CD1 4.15Å; L88-I99 WeakPolarHBondContact O-CD1 3.27Å; L88-L104 HydrophobicContact CD1-CD1 3.74Å; L88-L104 HydrophobicContact CD1-CD2 3.6Å; L88-L104 HydrophobicContact CD1-CG 4.35Å |
| 89 | E | 82.9 | Confident | 82.1 | Confident | 144 Ų | 144 | 81.4 Ų | 81.4 | 67% | 0.673 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 143.8 | 169.6 | -65 | 178.4 | 166.7 | 0 | 0 | 109.7 | K91 | E89-K91 PolarHBondContact O-N 3.13Š|
| 90 | Q | 71.6 | Confident | 81.8 | Confident | 132 Ų | 132 | 80.7 Ų | 80.7 | 62% | 0.617 | 42% | 0.415 | S | S | * | . | trans | -62.6 | 111.3 | 171.4 | -171 | 177.2 | 27.6 | 0 | 0 | 108 | W98 I99 | Q90-W98 HydrophobicContact CG-CZ3 4.33Å; Q90-I99 PolarHBondContact NE2-O 3.32Å | ||
| 91 | K | 66.5 | Low | 81.2 | Confident | 110 Ų | 110 | 87.7 Ų | 87.7 | 48% | 0.478 | 45% | 0.452 | S | S | . | . | trans | -101.1 | 144.5 | 170.8 | -72.6 | -172.9 | 175.1 | -174.5 | 0 | 108.3 | E89 W98 | E89-K91 PolarHBondContact O-N 3.13Å; K91-W98 VanDerWaalsContact O-CZ3 3.23Å; K91-W98 WeakPolarHBondContact O-CZ3 3.47Å | ||
| 92 | D | 57.1 | Low | 80.9 | Confident | 138 Ų | 138 | 86 Ų | 86 | 74% | 0.738 | 45% | 0.448 | S | S | * | . | trans | -51.7 | 168.8 | 175.4 | -61.7 | -42 | 0 | 0 | 0 | 113.2 | G94 G95 | D92-G94 PolarHBondContact O-N 3.5Å; D92-G95 PolarHBondContact O-N 2.88Å | ||
| 93 | E | 56.8 | Low | 80.8 | Confident | 187 Ų | 187 | 85.6 Ų | 85.6 | 87% | 0.874 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -4.9 | -177 | -72.3 | -174.5 | 149.1 | 0 | 0 | 116.4 | ||
| 94 | G | 59.8 | Low | 80.8 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 86% | 0.856 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -3.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | D92 | D92-G94 PolarHBondContact O-N 3.5Š|
| 95 | G | 73.3 | Confident | 80.8 | Confident | 22 Ų | 22 | 77.9 Ų | 77.9 | 23% | 0.227 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -77.3 | 155.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D92 W97 | D92-G95 PolarHBondContact O-N 2.88Å; G95-W97 PolarHBondContact O-N 3.37Å |
| 96 | R | 82.6 | Confident | 81 | Confident | 115 Ų | 115 | 75.5 Ų | 75.5 | 43% | 0.434 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -60.4 | -34.1 | 174.5 | -173.5 | -174.2 | -60.9 | -152 | -0.6 | 112 | T107 D113 | R96-T107 WeakPolarHBondContact CG-O 3.48Å; R96-T107 PolarHBondContact O-N 3.46Å; R96-T107 PolarHBondContact O-OG1 3.17Å; R96-D113 IonicContact NH1-OD2 3.04Å |
| 97 | W | 86.6 | Confident | 81 | Confident | 54 Ų | 54 | 72.1 Ų | 72.1 | 21% | 0.205 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.6 | 179.6 | 33.7 | 68.5 | 0 | 0 | 0 | 110.4 | L88 G95 L104 N105 | L88-W97 HydrophobicContact CD2-CD2 4.07Å; L88-W97 HydrophobicContact CD2-CG 4.38Å; L88-W97 HydrophobicContact CD2-CZ2 4.14Å; G95-W97 PolarHBondContact O-N 3.37Å; W97-L104 HydrophobicContact CB-CD1 4.07Å; W97-N105 CarbonylContact C-O 3.6Å; W97-N105 WeakPolarHBondContact CA-O 3.47Å |
| 98 | W | 87.8 | Confident | 80.9 | Confident | 80 Ų | 80 | 75.7 Ų | 75.7 | 30% | 0.303 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 132.7 | 179.3 | 173.2 | -100.2 | 0 | 0 | 0 | 109 | Q90 K91 N105 | Q90-W98 HydrophobicContact CG-CZ3 4.33Å; K91-W98 VanDerWaalsContact O-CZ3 3.23Å; K91-W98 WeakPolarHBondContact O-CZ3 3.47Å; W98-N105 HydrophobicContact CB-CB 4.37Å; W98-N105 PolarHBondContact N-O 3.38Å; W98-N105 PolarHBondContact O-N 3.09Å |
| 99 | I | 88.3 | Confident | 81 | Confident | 20 Ų | 20 | 75.2 Ų | 75.2 | 10% | 0.103 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118.1 | 177.3 | -59.4 | 170.2 | 0 | 0 | 0 | 107.4 | W80 L88 Q90 S103 L104 | W80-I99 HydrophobicContact CB-CD1 4.11Å; L88-I99 HydrophobicContact CB-CD1 4.15Å; L88-I99 WeakPolarHBondContact O-CD1 3.27Å; Q90-I99 PolarHBondContact NE2-O 3.32Å; I99-S103 WeakPolarHBondContact CA-O 3.41Å; I99-L104 HydrophobicContact CG1-CD1 3.87Å |
| 100 | A | 83.1 | Confident | 81.4 | Confident | 38 Ų | 38 | 71.4 Ų | 71.4 | 31% | 0.314 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 112.4 | 177 | 0 | 0 | 0 | 0 | 0 | 109.2 | N102 S103 | A100-N102 PolarHBondContact O-N 3.08Å; A100-S103 PolarHBondContact N-O 2.88Å; A100-S103 PolarHBondContact O-N 3.35Å |
| 101 | D | 80.8 | Confident | 82.2 | Confident | 147 Ų | 147 | 68.8 Ų | 68.8 | 79% | 0.786 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | -94.9 | -178.3 | -55.2 | -34.9 | 0 | 0 | 0 | 113.3 | ||
| 102 | N | 87.7 | Confident | 83.3 | Confident | 37 Ų | 37 | 65.7 Ų | 65.7 | 20% | 0.198 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 6 | 178.9 | 72 | -16.4 | 0 | 0 | 0 | 114.3 | C68 I72 I78 W80 A100 | C68-N102 HydrophobicContact CB-CB 4.29Å; C68-N102 WeakPolarHBondContact CB-O 3.28Å; C68-N102 PolarHBondContact N-O 2.71Å; C68-N102 PolarHBondContact O-ND2 3.14Å; I72-N102 HydrophobicContact CD1-CB 3.55Å; I72-N102 HydrophobicContact CG1-CB 3.87Å; I78-N102 HydrophobicContact CD1-CB 3.55Å; W80-N102 WeakPolarHBondContact CZ2-O 3.48Å; A100-N102 PolarHBondContact O-N 3.08Å |
| 103 | S | 90 | Very high | 84.9 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138 | -168 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | I66 I99 A100 | I66-S103 CarbonylContact O-C 3.58Å; I66-S103 VanDerWaalsContact O-CA 3.3Å; I66-S103 WeakPolarHBondContact O-CA 3.2Å; I99-S103 WeakPolarHBondContact CA-O 3.41Å; A100-S103 PolarHBondContact N-O 2.88Å; A100-S103 PolarHBondContact O-N 3.35Å |
| 104 | L | 91.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 114.9 | 176 | 173.7 | 66.3 | 0 | 0 | 0 | 109.2 | I66 W80 L88 W97 I99 I106 Y117 | I66-L104 HydrophobicContact CB-CB 4.38Å; I66-L104 HydrophobicContact CD1-CD2 4.48Å; I66-L104 PolarHBondContact N-O 2.96Å; I66-L104 PolarHBondContact O-N 3.45Å; W80-L104 HydrophobicContact CD2-CB 3.71Å; W80-L104 HydrophobicContact CD2-CD2 4.08Å; W80-L104 HydrophobicContact CD2-CG 4.44Å; W80-L104 HydrophobicContact CE3-CB 4.12Å; W80-L104 HydrophobicContact CE3-CD2 3.86Å; W80-L104 HydrophobicContact CG-CB 4.09Å; W80-L104 HydrophobicContact CG-CD2 4.4Å; W80-L104 HydrophobicContact CH2-CB 4.33Å; W80-L104 HydrophobicContact CZ2-CB 3.93Å; W80-L104 HydrophobicContact CZ3-CB 4.41Å; W80-L104 HydrophobicContact CZ3-CD2 4.39Å; L88-L104 HydrophobicContact CD1-CD1 3.74Å; L88-L104 HydrophobicContact CD1-CD2 3.6Å; L88-L104 HydrophobicContact CD1-CG 4.35Å; W97-L104 HydrophobicContact CB-CD1 4.07Å; I99-L104 HydrophobicContact CG1-CD1 3.87Å; L104-I106 HydrophobicContact CD2-CD1 4.19Å; L104-I106 HydrophobicContact CD2-CG1 4.23Å; L104-I106 HydrophobicContact CG-CG1 4.03Å; L104-Y117 HydrophobicContact CD2-CD1 3.65Å; L104-Y117 HydrophobicContact CD2-CE1 4.07Å |
| 105 | N | 92.1 | Very high | 88.3 | Confident | 51 Ų | 51 | 55.1 Ų | 55.1 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.5 | 171.5 | -173.2 | -10.7 | 0 | 0 | 0 | 109.3 | V64 L65 W97 W98 | V64-N105 WeakPolarHBondContact O-CA 2.86Å; V64-N105 PolarHBondContact O-OD1 2.98Å; L65-N105 HydrophobicContact CD1-CB 3.96Å; W97-N105 CarbonylContact C-O 3.6Å; W97-N105 WeakPolarHBondContact CA-O 3.47Å; W98-N105 HydrophobicContact CB-CB 4.37Å; W98-N105 PolarHBondContact N-O 3.38Å; W98-N105 PolarHBondContact O-N 3.09Å |
| 106 | I | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 113.6 | 174.5 | -51.8 | 172.5 | 0 | 0 | 0 | 107.4 | S63 V64 I66 L104 V109 Y117 L134 | S63-I106 CarbonylContact C-O 3.56Å; S63-I106 VanDerWaalsContact CA-O 3.22Å; S63-I106 WeakPolarHBondContact CA-O 3.07Å; V64-I106 HydrophobicContact CG1-CB 3.94Å; V64-I106 HydrophobicContact CG1-CD1 4.31Å; V64-I106 HydrophobicContact CG1-CG1 4.41Å; V64-I106 PolarHBondContact N-O 3.44Å; V64-I106 PolarHBondContact O-N 2.88Å; I66-I106 HydrophobicContact CD1-CD1 4.03Å; L104-I106 HydrophobicContact CD2-CD1 4.19Å; L104-I106 HydrophobicContact CD2-CG1 4.23Å; L104-I106 HydrophobicContact CG-CG1 4.03Å; I106-V109 HydrophobicContact CB-CG2 4.3Å; I106-V109 HydrophobicContact CG2-CG2 4.06Å; I106-Y117 HydrophobicContact CD1-CD1 4.37Å; I106-Y117 HydrophobicContact CD1-CE1 3.65Å; I106-Y117 HydrophobicContact CD1-CE2 4.4Å; I106-L134 HydrophobicContact CD1-CD2 4.21Å |
| 107 | T | 90.3 | Very high | 89.8 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -86 | 143.4 | 175.3 | 66.8 | 0 | 0 | 0 | 0 | 110.6 | R96 V109 | R96-T107 WeakPolarHBondContact CG-O 3.48Å; R96-T107 PolarHBondContact O-N 3.46Å; R96-T107 PolarHBondContact O-OG1 3.17Å; T107-V109 PolarHBondContact O-N 3.21Å |
| 108 | K | 89.2 | Confident | 90.1 | Very high | 160 Ų | 160 | 55.2 Ų | 55.2 | 70% | 0.696 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 49 | 61.8 | 179.7 | -62.9 | -178.5 | 178.9 | 177.5 | 0 | 112.7 | T62 N110 | T62-K108 PolarHBondContact O-N 2.82Å; K108-N110 PolarHBondContact O-N 2.93Å |
| 109 | V | 91.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | trans | -53.6 | 126.8 | 178.6 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | A58 E60 G61 T62 V64 I106 T107 D113 L134 V136 | A58-V109 HydrophobicContact CB-CG1 4.31Å; A58-V109 HydrophobicContact CB-CG2 4.39Å; E60-V109 CarbonylContact C-O 3.59Å; E60-V109 WeakPolarHBondContact CA-O 3.49Å; G61-V109 PolarHBondContact N-O 3.17Å; T62-V109 WeakPolarHBondContact O-CB 3.42Å; T62-V109 WeakPolarHBondContact O-CG2 3.23Å; T62-V109 PolarHBondContact O-N 3.09Å; V64-V109 HydrophobicContact CB-CG2 4.17Å; V64-V109 HydrophobicContact CG1-CG2 3.5Å; V64-V109 VanDerWaalsContact CG1-CG2 3.5Å; I106-V109 HydrophobicContact CB-CG2 4.3Å; I106-V109 HydrophobicContact CG2-CG2 4.06Å; T107-V109 PolarHBondContact O-N 3.21Å; V109-D113 HydrophobicContact CG1-CB 4.44Å; V109-L134 HydrophobicContact CG1-CD2 4.36Å; V109-V136 HydrophobicContact CG1-CB 4.36Å; V109-V136 HydrophobicContact CG1-CG1 3.86Å; V109-V136 HydrophobicContact CG1-CG2 3.51Å | ||
| 110 | N | 90 | Very high | 90.5 | Very high | 65 Ų | 65 | 50.5 Ų | 50.5 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | trans | -99.3 | 155.9 | 173.4 | -170.7 | -0.5 | 0 | 0 | 0 | 110.2 | E60 K108 A112 D113 | E60-N110 PolarHBondContact OE1-OD1 2.81Å; K108-N110 PolarHBondContact O-N 2.93Å; N110-A112 PolarHBondContact O-N 2.78Å; N110-A112 VanDerWaalsContact O-N 3.15Å; N110-D113 WeakPolarHBondContact CB-OD2 3.5Å; N110-D113 PolarHBondContact N-OD2 2.88Å; N110-D113 VanDerWaalsContact O-CB 3.3Å; N110-D113 WeakPolarHBondContact O-CB 3.37Å; N110-D113 PolarHBondContact O-N 2.84Å | ||
| 111 | F | 89.1 | Confident | 90.9 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -54.7 | -32.2 | 172.5 | -173.6 | -105.1 | 0 | 0 | 0 | 113.2 | D113 R114 F138 | F111-D113 PolarHBondContact O-N 3.29Å; F111-R114 WeakPolarHBondContact O-CB 3.25Å; F111-R114 VanDerWaalsContact O-CD 3.28Å; F111-R114 WeakPolarHBondContact O-CD 3.47Å; F111-R114 WeakPolarHBondContact O-CG 3.46Å; F111-R114 PolarHBondContact O-N 2.85Å; F111-F138 HydrophobicContact CB-CD2 4Å; F111-F138 HydrophobicContact CD2-CB 3.95Å; F111-F138 HydrophobicContact CD2-CD2 4.26Å; F111-F138 HydrophobicContact CD2-CG 4.46Å; F111-F138 HydrophobicContact CE2-CB 4.31Å; F111-F138 HydrophobicContact CG-CD2 4.22Å |
| 112 | A | 89.1 | Confident | 91.3 | Very high | 45 Ų | 45 | 42.7 Ų | 42.7 | 37% | 0.372 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -68.3 | -16.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N110 R114 | N110-A112 PolarHBondContact O-N 2.78Å; N110-A112 VanDerWaalsContact O-N 3.15Å; A112-R114 VanDerWaalsContact C-N 3.25Å |
| 113 | D | 90.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -81.4 | -8.5 | -179.9 | -59.5 | -28.2 | 0 | 0 | 0 | 111.8 | R96 V109 N110 F111 Y117 | R96-D113 IonicContact NH1-OD2 3.04Å; V109-D113 HydrophobicContact CG1-CB 4.44Å; N110-D113 WeakPolarHBondContact CB-OD2 3.5Å; N110-D113 PolarHBondContact N-OD2 2.88Å; N110-D113 VanDerWaalsContact O-CB 3.3Å; N110-D113 WeakPolarHBondContact O-CB 3.37Å; N110-D113 PolarHBondContact O-N 2.84Å; F111-D113 PolarHBondContact O-N 3.29Å; D113-Y117 WeakPolarHBondContact O-CE2 3.35Å; D113-Y117 PolarHBondContact O-OH 3.49Å |
| 114 | R | 93.4 | Very high | 91.2 | Very high | 144 Ų | 144 | 52.5 Ų | 52.5 | 54% | 0.543 | 25% | 0.247 | S | C | . | . | trans | -56.1 | 147.3 | 174.9 | 74.8 | -171 | 177.2 | 125.1 | -1.2 | 111.6 | S83 F111 A112 L134 V136 | S83-R114 WeakPolarHBondContact CB-O 3.31Å; S83-R114 PolarHBondContact OG-O 3.47Å; F111-R114 WeakPolarHBondContact O-CB 3.25Å; F111-R114 VanDerWaalsContact O-CD 3.28Å; F111-R114 WeakPolarHBondContact O-CD 3.47Å; F111-R114 WeakPolarHBondContact O-CG 3.46Å; F111-R114 PolarHBondContact O-N 2.85Å; A112-R114 VanDerWaalsContact C-N 3.25Å; R114-L134 WeakPolarHBondContact CA-O 3.47Å; R114-V136 HydrophobicContact CB-CB 4.3Å; R114-V136 HydrophobicContact CB-CG2 3.94Å | ||
| 115 | G | 94 | Very high | 90.7 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 27% | 0.268 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 126.7 | -158 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L134 | G115-L134 PolarHBondContact N-O 3.26Å; G115-L134 PolarHBondContact O-N 3.46Å |
| 116 | R | 94.7 | Very high | 90.4 | Very high | 162 Ų | 162 | 59 Ų | 59 | 61% | 0.611 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 112 | -161.8 | -169.1 | 166.2 | 72 | -120.3 | -3.7 | 111.7 | S83 T131 V132 | S83-R116 WeakPolarHBondContact CA-O 3.46Å; R116-T131 HydrophobicContact CG-CG2 3.04Å; R116-V132 CarbonylContact C-O 3.52Å; R116-V132 WeakPolarHBondContact CA-O 3.31Å |
| 117 | Y | 93.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 138.8 | 176.6 | -71.1 | -100.3 | 0 | 0 | 0 | 109.7 | I66 Y81 N82 L104 I106 D113 T131 V132 L134 | I66-Y117 HydrophobicContact CD1-CD1 4.38Å; I66-Y117 HydrophobicContact CD1-CD2 4.12Å; I66-Y117 HydrophobicContact CD1-CG 3.99Å; Y81-Y117 WeakPolarHBondContact O-CA 3.17Å; N82-Y117 HydrophobicContact CB-CD1 4.4Å; N82-Y117 HydrophobicContact CB-CE1 3.92Å; L104-Y117 HydrophobicContact CD2-CD1 3.65Å; L104-Y117 HydrophobicContact CD2-CE1 4.07Å; I106-Y117 HydrophobicContact CD1-CD1 4.37Å; I106-Y117 HydrophobicContact CD1-CE1 3.65Å; I106-Y117 HydrophobicContact CD1-CE2 4.4Å; D113-Y117 WeakPolarHBondContact O-CE2 3.35Å; D113-Y117 PolarHBondContact O-OH 3.49Å; Y117-T131 CarbonylContact O-C 3.57Å; Y117-T131 WeakPolarHBondContact O-CA 3.41Å; Y117-V132 PolarHBondContact N-O 3.05Å; Y117-V132 PolarHBondContact O-N 3.32Å; Y117-L134 HydrophobicContact CD2-CB 3.88Å; Y117-L134 HydrophobicContact CE2-CB 3.74Å; Y117-L134 HydrophobicContact CE2-CD2 3.75Å; Y117-L134 HydrophobicContact CE2-CG 4.41Å |
| 118 | T | 93.1 | Very high | 90.2 | Very high | 27 Ų | 27 | 63.4 Ų | 63.4 | 17% | 0.166 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 124.4 | -177.6 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | Y81 F129 Y130 T131 | Y81-T118 PolarHBondContact N-O 3.43Å; Y81-T118 PolarHBondContact O-N 2.92Å; T118-F129 HydrophobicContact CG2-CB 4.21Å; T118-F129 HydrophobicContact CG2-CD1 4.03Å; T118-Y130 CarbonylContact C-O 3.59Å; T118-Y130 WeakPolarHBondContact CA-O 3.44Å; T118-T131 PolarHBondContact OG1-OG1 3.1Å; T118-T131 VanDerWaalsContact OG1-OG1 3.12Å |
| 119 | C | 92.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.7 | 167.2 | 163 | 0 | 0 | 0 | 0 | 108.4 | C68 I78 L79 W80 F129 Y130 | C68-C119 HydrophobicContact CB-CB 3.68Å; C68-C119 WeakPolarHBondContact CB-SG 3.39Å; C68-C119 WeakPolarHBondContact SG-CB 3.35Å; C68-C119 CovalentContact SG-SG 2.04Å; C68-C119 PolarHBondContact SG-SG 3.35Å; I78-C119 WeakPolarHBondContact CG2-SG 3.3Å; L79-C119 CarbonylContact O-C 3.52Å; L79-C119 WeakPolarHBondContact O-CA 3.39Å; W80-C119 HydrophobicContact CD2-CB 4.17Å; W80-C119 HydrophobicContact CE3-CB 4.08Å; W80-C119 HydrophobicContact CH2-CB 3.81Å; W80-C119 HydrophobicContact CZ2-CB 3.9Å; W80-C119 HydrophobicContact CZ3-CB 3.9Å; C119-F129 CarbonylContact O-C 3.59Å; C119-F129 WeakPolarHBondContact O-CA 3.27Å; C119-Y130 PolarHBondContact N-O 3.33Å; C119-Y130 PolarHBondContact O-N 3.19Å |
| 120 | A | 91.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 2% | 0.017 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 111.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L79 Y81 T127 L128 F129 | L79-A120 HydrophobicContact CB-CB 4.33Å; L79-A120 PolarHBondContact N-O 3.46Å; L79-A120 PolarHBondContact O-N 2.74Å; Y81-A120 HydrophobicContact CD2-CB 4.42Å; Y81-A120 HydrophobicContact CE2-CB 3.83Å; A120-T127 HydrophobicContact CB-CG2 3.97Å; A120-L128 CarbonylContact C-O 3.57Å; A120-L128 WeakPolarHBondContact CA-O 3.42Å; A120-F129 HydrophobicContact CB-CD1 3.77Å; A120-F129 HydrophobicContact CB-CE1 3.7Å |
| 121 | A | 91.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 118.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V70 Y75 I78 T127 L128 | V70-A121 HydrophobicContact CB-CB 4.41Å; V70-A121 HydrophobicContact CG1-CB 3.74Å; Y75-A121 VanDerWaalsContact CD1-C 3.48Å; Y75-A121 HydrophobicContact CD1-CB 3.62Å; Y75-A121 VanDerWaalsContact CD1-O 3.31Å; Y75-A121 WeakPolarHBondContact CD1-O 3.35Å; Y75-A121 HydrophobicContact CD2-CB 3.99Å; Y75-A121 HydrophobicContact CE1-CB 4.02Å; Y75-A121 HydrophobicContact CE2-CB 4.39Å; Y75-A121 HydrophobicContact CG-CB 3.61Å; I78-A121 HydrophobicContact CG1-CB 4.44Å; A121-T127 CarbonylContact O-C 3.56Å; A121-T127 WeakPolarHBondContact O-CA 3.38Å; A121-L128 PolarHBondContact N-O 3.29Å; A121-L128 PolarHBondContact O-N 3.46Å |
| 122 | V | 89.5 | Confident | 90.5 | Very high | 20 Ų | 20 | 59.2 Ų | 59.2 | 12% | 0.121 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 132 | -173.4 | -173 | 0 | 0 | 0 | 0 | 110.3 | E76 Y77 L79 T127 | E76-V122 PolarHBondContact N-O 3.24Å; Y77-V122 HydrophobicContact CD2-CB 4.07Å; Y77-V122 HydrophobicContact CD2-CG2 4.19Å; Y77-V122 HydrophobicContact CE1-CB 4.15Å; Y77-V122 HydrophobicContact CE1-CG1 4.15Å; Y77-V122 HydrophobicContact CE2-CB 3.58Å; Y77-V122 HydrophobicContact CE2-CG1 4.06Å; Y77-V122 HydrophobicContact CE2-CG2 3.6Å; Y77-V122 PolarHBondContact O-N 2.94Å; Y77-V122 WeakPolarHBondContact OH-CG1 3.43Å; L79-V122 HydrophobicContact CD1-CG2 4.34Å; V122-T127 HydrophobicContact CG2-CG2 3.93Å |
| 123 | N | 88.8 | Confident | 90.7 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 165 | 171.5 | -172.1 | 6.2 | 0 | 0 | 0 | 109 | Q74 Y75 N125 G126 | Q74-N123 PolarHBondContact O-ND2 3.38Å; Y75-N123 HydrophobicContact CD1-CB 3.73Å; Y75-N123 HydrophobicContact CE1-CB 4.29Å; Y75-N123 HydrophobicContact CG-CB 4.46Å; N123-N125 PolarHBondContact O-N 2.93Å; N123-N125 VanDerWaalsContact O-N 3.08Å; N123-G126 PolarHBondContact N-O 3.34Å; N123-G126 PolarHBondContact O-N 3.35Å; N123-G126 VanDerWaalsContact O-N 3.08Å |
| 124 | R | 85.2 | Confident | 90.9 | Very high | 208 Ų | 208 | 57.6 Ų | 57.6 | 79% | 0.785 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -30.9 | 174.9 | -61.2 | -174.8 | -177.4 | -175.5 | 0 | 113.4 | E76 | E76-R124 WeakPolarHBondContact OE1-CG 3.21Å; E76-R124 IonicContact OE1-CZ 3.44Å; E76-R124 IonicContact OE1-NE 2.72Å; E76-R124 PolarHBondContact OE1-NE 3.4Å; E76-R124 IonicContact OE1-NH2 3.31Å; E76-R124 PolarHBondContact OE1-NH2 2.85Å |
| 125 | N | 82.9 | Confident | 90.9 | Very high | 151 Ų | 151 | 56.5 Ų | 56.5 | 81% | 0.807 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -9.4 | -175.5 | -65.4 | 75.9 | 0 | 0 | 0 | 113.7 | N123 | N123-N125 PolarHBondContact O-N 2.93Å; N123-N125 VanDerWaalsContact O-N 3.08Å |
| 126 | G | 85.1 | Confident | 90.8 | Very high | 37 Ų | 37 | 56 Ų | 56 | 38% | 0.381 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.6 | 178.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N123 | N123-G126 PolarHBondContact N-O 3.34Å; N123-G126 PolarHBondContact O-N 3.35Å; N123-G126 VanDerWaalsContact O-N 3.08Å |
| 127 | T | 89 | Confident | 90.5 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 41% | 0.405 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.5 | 179.1 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | A120 A121 V122 F129 | A120-T127 HydrophobicContact CB-CG2 3.97Å; A121-T127 CarbonylContact O-C 3.56Å; A121-T127 WeakPolarHBondContact O-CA 3.38Å; V122-T127 HydrophobicContact CG2-CG2 3.93Å; T127-F129 HydrophobicContact CG2-CD1 4.48Å; T127-F129 HydrophobicContact CG2-CE1 3.88Å; T127-F129 HydrophobicContact CG2-CE2 3.98Å; T127-F129 HydrophobicContact CG2-CZ 3.61Å |
| 128 | L | 89.7 | Confident | 89.8 | Confident | 74 Ų | 74 | 57.4 Ų | 57.4 | 39% | 0.387 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134.9 | 173.9 | -171.6 | 88.9 | 0 | 0 | 0 | 109.9 | V70 Y75 A120 A121 | V70-L128 HydrophobicContact CB-CD2 4.19Å; V70-L128 HydrophobicContact CG1-CD2 3.56Å; V70-L128 HydrophobicContact CG2-CD2 3.56Å; Y75-L128 HydrophobicContact CE1-CB 3.88Å; A120-L128 CarbonylContact C-O 3.57Å; A120-L128 WeakPolarHBondContact CA-O 3.42Å; A121-L128 PolarHBondContact N-O 3.29Å; A121-L128 PolarHBondContact O-N 3.46Å |
| 129 | F | 89.5 | Confident | 88.8 | Confident | 133 Ų | 133 | 58.5 Ų | 58.5 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.3 | 178.1 | -59.4 | -81.8 | 0 | 0 | 0 | 111 | T118 C119 A120 T127 | T118-F129 HydrophobicContact CG2-CB 4.21Å; T118-F129 HydrophobicContact CG2-CD1 4.03Å; C119-F129 CarbonylContact O-C 3.59Å; C119-F129 WeakPolarHBondContact O-CA 3.27Å; A120-F129 HydrophobicContact CB-CD1 3.77Å; A120-F129 HydrophobicContact CB-CE1 3.7Å; T127-F129 HydrophobicContact CG2-CD1 4.48Å; T127-F129 HydrophobicContact CG2-CE1 3.88Å; T127-F129 HydrophobicContact CG2-CE2 3.98Å; T127-F129 HydrophobicContact CG2-CZ 3.61Å |
| 130 | Y | 90.6 | Very high | 87.6 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 12% | 0.122 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130 | 172.3 | 178.6 | -104 | 0 | 0 | 0 | 109.5 | H54 E67 C68 K69 V70 T118 C119 V132 | H54-Y130 AromaticContact CD2-CE2 3.67Å; H54-Y130 AromaticContact CD2-CZ 3.62Å; H54-Y130 PolarHBondContact CD2-OH 3.23Å; H54-Y130 PolarHBondContact NE2-OH 3.21Å; E67-Y130 WeakPolarHBondContact O-CE1 3.29Å; C68-Y130 HydrophobicContact CB-CD1 4.42Å; K69-Y130 HydrophobicContact CB-CD2 4.48Å; K69-Y130 HydrophobicContact CB-CE1 4.35Å; K69-Y130 HydrophobicContact CB-CE2 3.9Å; K69-Y130 WeakPolarHBondContact CD-OH 3.44Å; K69-Y130 HydrophobicContact CG-CE1 4.4Å; K69-Y130 HydrophobicContact CG-CE2 4.42Å; V70-Y130 HydrophobicContact CG2-CG 4.41Å; T118-Y130 CarbonylContact C-O 3.59Å; T118-Y130 WeakPolarHBondContact CA-O 3.44Å; C119-Y130 PolarHBondContact N-O 3.33Å; C119-Y130 PolarHBondContact O-N 3.19Å; Y130-V132 HydrophobicContact CD1-CG2 3.95Å; Y130-V132 HydrophobicContact CE1-CG2 3.27Å |
| 131 | T | 91.8 | Very high | 86.5 | Confident | 46 Ų | 46 | 61.2 Ų | 61.2 | 28% | 0.282 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.1 | -168.7 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | R116 Y117 T118 | R116-T131 HydrophobicContact CG-CG2 3.04Å; Y117-T131 CarbonylContact O-C 3.57Å; Y117-T131 WeakPolarHBondContact O-CA 3.41Å; T118-T131 PolarHBondContact OG1-OG1 3.1Å; T118-T131 VanDerWaalsContact OG1-OG1 3.12Å |
| 132 | V | 93 | Very high | 85.3 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.4 | -176.5 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | H54 I56 I66 R116 Y117 Y130 | H54-V132 HydrophobicContact CB-CG1 4.46Å; H54-V132 HydrophobicContact CB-CG2 4.36Å; H54-V132 VanDerWaalsContact O-CG1 3.29Å; H54-V132 WeakPolarHBondContact O-CG1 3.4Å; I56-V132 HydrophobicContact CD1-CG1 3.59Å; I56-V132 HydrophobicContact CG1-CG1 3.73Å; I66-V132 HydrophobicContact CG2-CB 4Å; I66-V132 HydrophobicContact CG2-CG1 4.01Å; I66-V132 HydrophobicContact CG2-CG2 3.99Å; R116-V132 CarbonylContact C-O 3.52Å; R116-V132 WeakPolarHBondContact CA-O 3.31Å; Y117-V132 PolarHBondContact N-O 3.05Å; Y117-V132 PolarHBondContact O-N 3.32Å; Y130-V132 HydrophobicContact CD1-CG2 3.95Å; Y130-V132 HydrophobicContact CE1-CG2 3.27Å |
| 133 | T | 93.9 | Very high | 84.7 | Confident | 26 Ų | 26 | 71.8 Ų | 71.8 | 16% | 0.16 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 117.9 | 175.3 | -52 | 0 | 0 | 0 | 0 | 109.9 | H54 D55 I56 | H54-T133 PolarHBondContact O-N 3.38Å; D55-T133 WeakPolarHBondContact CA-O 3.37Å; D55-T133 VanDerWaalsContact OD1-CB 3.28Å; D55-T133 WeakPolarHBondContact OD1-CB 3.37Å; I56-T133 PolarHBondContact N-O 2.83Å |
| 134 | L | 94 | Very high | 84.2 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 114.9 | 170.9 | -176.4 | 64.2 | 0 | 0 | 0 | 109.7 | I56 A58 V64 I106 V109 R114 G115 Y117 V136 | I56-L134 HydrophobicContact CB-CD1 4.35Å; I56-L134 HydrophobicContact CG2-CD1 4.22Å; A58-L134 HydrophobicContact CB-CD1 3.91Å; V64-L134 HydrophobicContact CG1-CD1 4.14Å; V64-L134 HydrophobicContact CG1-CD2 4.38Å; V64-L134 HydrophobicContact CG2-CD1 4.21Å; I106-L134 HydrophobicContact CD1-CD2 4.21Å; V109-L134 HydrophobicContact CG1-CD2 4.36Å; R114-L134 WeakPolarHBondContact CA-O 3.47Å; G115-L134 PolarHBondContact N-O 3.26Å; G115-L134 PolarHBondContact O-N 3.46Å; Y117-L134 HydrophobicContact CD2-CB 3.88Å; Y117-L134 HydrophobicContact CE2-CB 3.74Å; Y117-L134 HydrophobicContact CE2-CD2 3.75Å; Y117-L134 HydrophobicContact CE2-CG 4.41Å; L134-V136 HydrophobicContact CD2-CG2 4.24Å; L134-V136 HydrophobicContact CG-CG2 4.09Å |
| 135 | R | 93.5 | Very high | 84.1 | Confident | 122 Ų | 122 | 66.5 Ų | 66.5 | 46% | 0.46 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 128.8 | 168.2 | -63.3 | -177.2 | -175.2 | -96.5 | -0.7 | 108.5 | D55 I56 I57 A58 | D55-R135 IonicContact OD2-CZ 3.78Å; D55-R135 VanDerWaalsContact OD2-CZ 3.23Å; D55-R135 IonicContact OD2-NE 3.91Å; D55-R135 PolarHBondContact OD2-NE 3.39Å; D55-R135 IonicContact OD2-NH2 2.81Å; D55-R135 PolarHBondContact OD2-NH2 3.49Å; I56-R135 PolarHBondContact O-N 2.82Å; I57-R135 CarbonylContact C-O 3.56Å; I57-R135 WeakPolarHBondContact CA-O 3.44Å; I57-R135 HydrophobicContact CG1-CB 4.25Å; A58-R135 PolarHBondContact N-O 3.4Å |
| 136 | V | 92.4 | Very high | 84.3 | Confident | 15 Ų | 15 | 66 Ų | 66 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.9 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | A58 E60 V109 R114 L134 F138 | A58-V136 CarbonylContact O-C 3.53Å; A58-V136 VanDerWaalsContact O-CA 3.28Å; A58-V136 WeakPolarHBondContact O-CA 3.21Å; E60-V136 HydrophobicContact CB-CG1 4.29Å; V109-V136 HydrophobicContact CG1-CB 4.36Å; V109-V136 HydrophobicContact CG1-CG1 3.86Å; V109-V136 HydrophobicContact CG1-CG2 3.51Å; R114-V136 HydrophobicContact CB-CB 4.3Å; R114-V136 HydrophobicContact CB-CG2 3.94Å; L134-V136 HydrophobicContact CD2-CG2 4.24Å; L134-V136 HydrophobicContact CG-CG2 4.09Å; V136-F138 PolarHBondContact O-N 2.9Å |
| 137 | I | 88.4 | Confident | 84.4 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 113.4 | 170 | -58.6 | 174.9 | 0 | 0 | 0 | 106.8 | I57 A58 E60 T139 | I57-I137 HydrophobicContact CG2-CD1 3.43Å; I57-I137 VanDerWaalsContact CG2-CD1 3.43Å; I57-I137 HydrophobicContact CG2-CG1 3.7Å; A58-I137 PolarHBondContact O-N 2.89Å; E60-I137 PolarHBondContact N-O 3.3Å; I137-T139 HydrophobicContact CG2-CG2 4.16Å; I137-T139 PolarHBondContact O-N 2.94Å |
| 138 | F | 80.4 | Confident | 84.3 | Confident | 100 Ų | 100 | 73.3 Ų | 73.3 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | trans | -66.7 | 124.1 | 175.9 | -172.7 | -119.4 | 0 | 0 | 0 | 109.4 | E60 F111 V136 S140 | E60-F138 WeakPolarHBondContact OE1-CE2 3.36Å; E60-F138 WeakPolarHBondContact OE2-CD2 3.31Å; E60-F138 VanDerWaalsContact OE2-CE2 3.3Å; E60-F138 WeakPolarHBondContact OE2-CE2 3.4Å; F111-F138 HydrophobicContact CB-CD2 4Å; F111-F138 HydrophobicContact CD2-CB 3.95Å; F111-F138 HydrophobicContact CD2-CD2 4.26Å; F111-F138 HydrophobicContact CD2-CG 4.46Å; F111-F138 HydrophobicContact CE2-CB 4.31Å; F111-F138 HydrophobicContact CG-CD2 4.22Å; V136-F138 PolarHBondContact O-N 2.9Å; F138-S140 VanDerWaalsContact CE1-CB 3.48Å; F138-S140 WeakPolarHBondContact CE1-OG 3.48Å; F138-S140 WeakPolarHBondContact CZ-OG 3.36Å | ||
| 139 | T | 71.9 | Confident | 84.4 | Confident | 49 Ų | 49 | 74.3 Ų | 74.3 | 30% | 0.301 | 37% | 0.369 | S | S | . | . | trans | -131.8 | 60 | 176.5 | 59.3 | 0 | 0 | 0 | 0 | 108.7 | K59 E60 I137 G141 | K59-T139 HydrophobicContact CD-CG2 3.77Å; K59-T139 VanDerWaalsContact CE-CG2 3.48Å; K59-T139 WeakPolarHBondContact CE-OG1 3.43Å; K59-T139 HydrophobicContact CG-CG2 3.63Å; K59-T139 WeakPolarHBondContact CG-OG1 3.27Å; E60-T139 PolarHBondContact OE2-N 3.41Å; I137-T139 HydrophobicContact CG2-CG2 4.16Å; I137-T139 PolarHBondContact O-N 2.94Å; T139-G141 PolarHBondContact O-N 3.42Å | ||
| 140 | S | 67.4 | Low | 84.5 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | trans | -70.6 | 84.6 | 161.7 | 67.1 | 0 | 0 | 0 | 0 | 107.8 | F138 D142 M143 S144 | F138-S140 VanDerWaalsContact CE1-CB 3.48Å; F138-S140 WeakPolarHBondContact CE1-OG 3.48Å; F138-S140 WeakPolarHBondContact CZ-OG 3.36Å; S140-D142 PolarHBondContact O-N 3.47Å; S140-M143 PolarHBondContact O-N 2.79Å; S140-S144 WeakPolarHBondContact O-CB 3.44Å; S140-S144 PolarHBondContact O-N 3.4Å; S140-S144 PolarHBondContact O-OG 2.95Å; S140-S144 PolarHBondContact OG-N 3.48Å; S140-S144 VanDerWaalsContact OG-N 3.14Å; S140-S144 PolarHBondContact OG-OG 2.87Å | ||
| 141 | G | 67.3 | Low | 84.6 | Confident | 41 Ų | 41 | 72.7 Ų | 72.7 | 42% | 0.423 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -30.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | T139 I145 | T139-G141 PolarHBondContact O-N 3.42Å; G141-I145 WeakPolarHBondContact O-CB 3.26Å; G141-I145 WeakPolarHBondContact O-CD1 3.46Å; G141-I145 WeakPolarHBondContact O-CG1 3.38Å |
| 142 | D | 66.7 | Low | 84.7 | Confident | 141 Ų | 141 | 76 Ų | 76 | 75% | 0.754 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -42.4 | -175.5 | -52 | -38 | 0 | 0 | 0 | 113.2 | S140 Y146 | S140-D142 PolarHBondContact O-N 3.47Å; D142-Y146 VanDerWaalsContact O-CB 3.3Å; D142-Y146 WeakPolarHBondContact O-CB 3.37Å; D142-Y146 PolarHBondContact O-N 3.3Å |
| 143 | M | 77.2 | Confident | 84.8 | Confident | 100 Ų | 100 | 79.6 Ų | 79.6 | 49% | 0.493 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.7 | -42 | -178.1 | -60.8 | -60 | -67.8 | 0 | 0 | 112 | S140 I145 Y146 Y147 | S140-M143 PolarHBondContact O-N 2.79Å; M143-I145 VanDerWaalsContact C-N 3.34Å; M143-I145 PolarHBondContact O-N 2.94Å; M143-Y146 WeakPolarHBondContact O-CB 3.39Å; M143-Y146 PolarHBondContact O-N 3.24Å; M143-Y147 HydrophobicContact CB-CE2 4.35Å; M143-Y147 HydrophobicContact CE-CE2 4.11Å; M143-Y147 WeakPolarHBondContact O-CD2 3.3Å; M143-Y147 PolarHBondContact O-N 2.96Å |
| 144 | S | 79.4 | Confident | 84.9 | Confident | 47 Ų | 47 | 80.7 Ų | 80.7 | 33% | 0.329 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 177.1 | -60 | 0 | 0 | 0 | 0 | 111.1 | S140 Y147 M148 | S140-S144 WeakPolarHBondContact O-CB 3.44Å; S140-S144 PolarHBondContact O-N 3.4Å; S140-S144 PolarHBondContact O-OG 2.95Å; S140-S144 PolarHBondContact OG-N 3.48Å; S140-S144 VanDerWaalsContact OG-N 3.14Å; S140-S144 PolarHBondContact OG-OG 2.87Å; S144-Y147 PolarHBondContact O-N 3.46Å; S144-M148 WeakPolarHBondContact O-CB 3.03Å; S144-M148 WeakPolarHBondContact O-CG 2.96Å; S144-M148 PolarHBondContact O-N 3.23Å |
| 145 | I | 82.4 | Confident | 85 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 51% | 0.508 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 176.6 | -66.3 | -177.5 | 0 | 0 | 0 | 110.5 | G141 M143 Y147 M148 I149 | G141-I145 WeakPolarHBondContact O-CB 3.26Å; G141-I145 WeakPolarHBondContact O-CD1 3.46Å; G141-I145 WeakPolarHBondContact O-CG1 3.38Å; M143-I145 VanDerWaalsContact C-N 3.34Å; M143-I145 PolarHBondContact O-N 2.94Å; I145-Y147 PolarHBondContact O-N 3.29Å; I145-M148 PolarHBondContact O-N 2.91Å; I145-I149 HydrophobicContact CG2-CD1 3.72Å; I145-I149 HydrophobicContact CG2-CG1 4.29Å; I145-I149 VanDerWaalsContact O-CG1 3.31Å; I145-I149 WeakPolarHBondContact O-CG1 3.38Å; I145-I149 PolarHBondContact O-N 3.14Å |
| 146 | Y | 87 | Confident | 85 | Confident | 139 Ų | 139 | 84.2 Ų | 84.2 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -55.6 | -51.4 | 174.5 | 175.7 | -97 | 0 | 0 | 0 | 112.1 | D142 M143 M148 I149 V150 | D142-Y146 VanDerWaalsContact O-CB 3.3Å; D142-Y146 WeakPolarHBondContact O-CB 3.37Å; D142-Y146 PolarHBondContact O-N 3.3Å; M143-Y146 WeakPolarHBondContact O-CB 3.39Å; M143-Y146 PolarHBondContact O-N 3.24Å; Y146-M148 VanDerWaalsContact C-N 3.33Å; Y146-M148 PolarHBondContact O-N 2.83Å; Y146-I149 PolarHBondContact O-N 2.94Å; Y146-V150 HydrophobicContact CD1-CG2 4.3Å; Y146-V150 HydrophobicContact CE1-CG2 3.92Å; Y146-V150 HydrophobicContact CE2-CG2 4.18Å; Y146-V150 VanDerWaalsContact O-CG2 3.31Å; Y146-V150 WeakPolarHBondContact O-CG2 3.18Å; Y146-V150 PolarHBondContact O-N 2.93Å |
| 147 | Y | 86.9 | Confident | 85.1 | Confident | 135 Ų | 135 | 87.9 Ų | 87.9 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -36.5 | 178 | -68.3 | -64.9 | 0 | 0 | 0 | 112.6 | M143 S144 I145 V150 C151 | M143-Y147 HydrophobicContact CB-CE2 4.35Å; M143-Y147 HydrophobicContact CE-CE2 4.11Å; M143-Y147 WeakPolarHBondContact O-CD2 3.3Å; M143-Y147 PolarHBondContact O-N 2.96Å; S144-Y147 PolarHBondContact O-N 3.46Å; I145-Y147 PolarHBondContact O-N 3.29Å; Y147-V150 PolarHBondContact O-N 3.43Å; Y147-C151 WeakPolarHBondContact O-CB 2.97Å; Y147-C151 PolarHBondContact O-N 3.26Å; Y147-C151 PolarHBondContact O-SG 3.4Å |
| 148 | M | 87.9 | Confident | 85.3 | Confident | 123 Ų | 123 | 86.7 Ų | 86.7 | 61% | 0.606 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.1 | -45 | 174.8 | -71.6 | -65.4 | -73.1 | 0 | 0 | 111.6 | S144 I145 Y146 C151 L152 | S144-M148 WeakPolarHBondContact O-CB 3.03Å; S144-M148 WeakPolarHBondContact O-CG 2.96Å; S144-M148 PolarHBondContact O-N 3.23Å; I145-M148 PolarHBondContact O-N 2.91Å; Y146-M148 VanDerWaalsContact C-N 3.33Å; Y146-M148 PolarHBondContact O-N 2.83Å; M148-C151 PolarHBondContact O-N 2.93Å; M148-L152 VanDerWaalsContact O-CG 3.27Å; M148-L152 WeakPolarHBondContact O-CG 3.27Å; M148-L152 PolarHBondContact O-N 2.84Å |
| 149 | I | 90 | Very high | 85.8 | Confident | 95 Ų | 95 | 87.1 Ų | 87.1 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 177 | -66.2 | 166.5 | 0 | 0 | 0 | 110.5 | I145 Y146 C151 L152 V153 | I145-I149 HydrophobicContact CG2-CD1 3.72Å; I145-I149 HydrophobicContact CG2-CG1 4.29Å; I145-I149 VanDerWaalsContact O-CG1 3.31Å; I145-I149 WeakPolarHBondContact O-CG1 3.38Å; I145-I149 PolarHBondContact O-N 3.14Å; Y146-I149 PolarHBondContact O-N 2.94Å; I149-C151 VanDerWaalsContact C-N 3.32Å; I149-C151 PolarHBondContact O-N 3.29Å; I149-L152 PolarHBondContact O-N 3.37Å; I149-V153 HydrophobicContact CG2-CG2 4.37Å; I149-V153 WeakPolarHBondContact O-CG2 3.11Å; I149-V153 PolarHBondContact O-N 2.84Å |
| 150 | V | 92.6 | Very high | 86.7 | Confident | 66 Ų | 66 | 89.7 Ų | 89.7 | 40% | 0.4 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 111 | Y146 Y147 V153 A154 | Y146-V150 HydrophobicContact CD1-CG2 4.3Å; Y146-V150 HydrophobicContact CE1-CG2 3.92Å; Y146-V150 HydrophobicContact CE2-CG2 4.18Å; Y146-V150 VanDerWaalsContact O-CG2 3.31Å; Y146-V150 WeakPolarHBondContact O-CG2 3.18Å; Y146-V150 PolarHBondContact O-N 2.93Å; Y147-V150 PolarHBondContact O-N 3.43Å; V150-V153 PolarHBondContact O-N 3.18Å; V150-A154 WeakPolarHBondContact O-CB 3.48Å; V150-A154 PolarHBondContact O-N 2.93Å |
| 151 | C | 93.3 | Very high | 87.7 | Confident | 63 Ų | 63 | 93.2 Ų | 93.2 | 43% | 0.426 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 175.2 | -73.8 | 0 | 0 | 0 | 0 | 111.7 | Y147 M148 I149 V153 A154 F155 | Y147-C151 WeakPolarHBondContact O-CB 2.97Å; Y147-C151 PolarHBondContact O-N 3.26Å; Y147-C151 PolarHBondContact O-SG 3.4Å; M148-C151 PolarHBondContact O-N 2.93Å; I149-C151 VanDerWaalsContact C-N 3.32Å; I149-C151 PolarHBondContact O-N 3.29Å; C151-V153 VanDerWaalsContact C-N 3.35Å; C151-V153 PolarHBondContact O-N 3.26Å; C151-A154 PolarHBondContact O-N 3.23Å; C151-F155 HydrophobicContact CB-CD2 4.49Å; C151-F155 WeakPolarHBondContact O-CD2 3.31Å; C151-F155 PolarHBondContact O-N 3.06Å |
| 152 | L | 93.2 | Very high | 88.5 | Confident | 116 Ų | 116 | 95.4 Ų | 95.4 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -43.2 | 179.5 | -71.9 | 173.4 | 0 | 0 | 0 | 112.2 | M148 I149 F155 A156 | M148-L152 VanDerWaalsContact O-CG 3.27Å; M148-L152 WeakPolarHBondContact O-CG 3.27Å; M148-L152 PolarHBondContact O-N 2.84Å; I149-L152 PolarHBondContact O-N 3.37Å; L152-F155 PolarHBondContact O-N 2.96Å; L152-A156 WeakPolarHBondContact O-CB 3.33Å; L152-A156 PolarHBondContact O-N 3.3Å |
| 153 | V | 95.7 | Very high | 89.8 | Confident | 78 Ų | 78 | 92.9 Ų | 92.9 | 47% | 0.473 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | I149 V150 C151 F155 A156 I157 | I149-V153 HydrophobicContact CG2-CG2 4.37Å; I149-V153 WeakPolarHBondContact O-CG2 3.11Å; I149-V153 PolarHBondContact O-N 2.84Å; V150-V153 PolarHBondContact O-N 3.18Å; C151-V153 VanDerWaalsContact C-N 3.35Å; C151-V153 PolarHBondContact O-N 3.26Å; V153-F155 PolarHBondContact O-N 3.22Å; V153-A156 PolarHBondContact O-N 3.03Å; V153-I157 HydrophobicContact CG1-CD1 3.85Å; V153-I157 VanDerWaalsContact O-CG1 3.31Å; V153-I157 WeakPolarHBondContact O-CG1 3.18Å; V153-I157 PolarHBondContact O-N 3.18Å |
| 154 | A | 95.1 | Very high | 90.2 | Very high | 49 Ų | 49 | 91.6 Ų | 91.6 | 41% | 0.405 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V150 C151 I157 T158 | V150-A154 WeakPolarHBondContact O-CB 3.48Å; V150-A154 PolarHBondContact O-N 2.93Å; C151-A154 PolarHBondContact O-N 3.23Å; A154-I157 PolarHBondContact O-N 3.35Å; A154-T158 WeakPolarHBondContact O-CB 3.44Å; A154-T158 PolarHBondContact O-N 3.2Å; A154-T158 PolarHBondContact O-OG1 2.9Å |
| 155 | F | 95.6 | Very high | 90.7 | Very high | 150 Ų | 150 | 98.6 Ų | 98.6 | 66% | 0.658 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 174.9 | -83.6 | -65.6 | 0 | 0 | 0 | 111.9 | C151 L152 V153 T158 L159 | C151-F155 HydrophobicContact CB-CD2 4.49Å; C151-F155 WeakPolarHBondContact O-CD2 3.31Å; C151-F155 PolarHBondContact O-N 3.06Å; L152-F155 PolarHBondContact O-N 2.96Å; V153-F155 PolarHBondContact O-N 3.22Å; F155-T158 PolarHBondContact O-N 3.45Å; F155-L159 WeakPolarHBondContact O-CB 3.27Å; F155-L159 PolarHBondContact O-N 3.43Å |
| 156 | A | 94.1 | Very high | 90.9 | Very high | 49 Ų | 49 | 99.9 Ų | 99.9 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L152 V153 T158 L159 I160 | L152-A156 WeakPolarHBondContact O-CB 3.33Å; L152-A156 PolarHBondContact O-N 3.3Å; V153-A156 PolarHBondContact O-N 3.03Å; A156-T158 VanDerWaalsContact C-N 3.34Å; A156-T158 PolarHBondContact O-N 3.22Å; A156-L159 PolarHBondContact O-N 3.27Å; A156-I160 WeakPolarHBondContact O-CD1 3.2Å; A156-I160 VanDerWaalsContact O-CG1 3.25Å; A156-I160 WeakPolarHBondContact O-CG1 3.34Å; A156-I160 PolarHBondContact O-N 3.42Å |
| 157 | I | 94.2 | Very high | 90.8 | Very high | 91 Ų | 91 | 96.5 Ų | 96.5 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 175.5 | -67.4 | 166.3 | 0 | 0 | 0 | 110.1 | V153 A154 L159 I160 L161 | V153-I157 HydrophobicContact CG1-CD1 3.85Å; V153-I157 VanDerWaalsContact O-CG1 3.31Å; V153-I157 WeakPolarHBondContact O-CG1 3.18Å; V153-I157 PolarHBondContact O-N 3.18Å; A154-I157 PolarHBondContact O-N 3.35Å; I157-L159 VanDerWaalsContact C-N 3.32Å; I157-L159 PolarHBondContact O-N 3.48Å; I157-I160 PolarHBondContact O-N 3.03Å; I157-L161 HydrophobicContact CG2-CD1 3.87Å; I157-L161 HydrophobicContact CG2-CG 4.27Å; I157-L161 WeakPolarHBondContact O-CB 3.06Å; I157-L161 VanDerWaalsContact O-CG 3.27Å; I157-L161 WeakPolarHBondContact O-CG 3.49Å; I157-L161 PolarHBondContact O-N 3.41Å |
| 158 | T | 92.9 | Very high | 90.7 | Very high | 71 Ų | 71 | 96.6 Ų | 96.6 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 179.2 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | A154 F155 A156 L161 N162 | A154-T158 WeakPolarHBondContact O-CB 3.44Å; A154-T158 PolarHBondContact O-N 3.2Å; A154-T158 PolarHBondContact O-OG1 2.9Å; F155-T158 PolarHBondContact O-N 3.45Å; A156-T158 VanDerWaalsContact C-N 3.34Å; A156-T158 PolarHBondContact O-N 3.22Å; T158-L161 PolarHBondContact O-N 2.99Å; T158-N162 WeakPolarHBondContact CG2-ND2 3.34Å; T158-N162 WeakPolarHBondContact O-CB 2.82Å; T158-N162 PolarHBondContact O-N 2.9Å; T158-N162 PolarHBondContact O-ND2 3.47Å |
| 159 | L | 91.1 | Very high | 90.8 | Very high | 108 Ų | 108 | 96.2 Ų | 96.2 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -47.8 | 176.6 | -179.3 | 64.1 | 0 | 0 | 0 | 111.1 | F155 A156 I157 L161 N162 I163 | F155-L159 WeakPolarHBondContact O-CB 3.27Å; F155-L159 PolarHBondContact O-N 3.43Å; A156-L159 PolarHBondContact O-N 3.27Å; I157-L159 VanDerWaalsContact C-N 3.32Å; I157-L159 PolarHBondContact O-N 3.48Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 2.92Å; L159-N162 PolarHBondContact O-N 2.97Å; L159-I163 HydrophobicContact CD1-CD1 4.01Å; L159-I163 HydrophobicContact CD1-CG1 4.27Å; L159-I163 HydrophobicContact CD2-CD1 4.48Å; L159-I163 HydrophobicContact CG-CD1 3.8Å; L159-I163 HydrophobicContact CG-CG1 4.44Å; L159-I163 VanDerWaalsContact O-CG1 3.27Å; L159-I163 WeakPolarHBondContact O-CG1 3.03Å; L159-I163 PolarHBondContact O-N 2.96Å |
| 160 | I | 91.6 | Very high | 90.3 | Very high | 103 Ų | 103 | 94.6 Ų | 94.6 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 178.4 | -67.8 | 164 | 0 | 0 | 0 | 110.8 | A156 I157 I163 T164 | A156-I160 WeakPolarHBondContact O-CD1 3.2Å; A156-I160 VanDerWaalsContact O-CG1 3.25Å; A156-I160 WeakPolarHBondContact O-CG1 3.34Å; A156-I160 PolarHBondContact O-N 3.42Å; I157-I160 PolarHBondContact O-N 3.03Å; I160-I163 PolarHBondContact O-N 3.4Å; I160-T164 WeakPolarHBondContact O-CB 3.48Å; I160-T164 PolarHBondContact O-N 3.35Å; I160-T164 PolarHBondContact O-OG1 3.35Å |
| 161 | L | 87.4 | Confident | 90.2 | Very high | 93 Ų | 93 | 93.5 Ų | 93.5 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 177.2 | -69.5 | 176.2 | 0 | 0 | 0 | 111.6 | I157 T158 L159 T164 R165 | I157-L161 HydrophobicContact CG2-CD1 3.87Å; I157-L161 HydrophobicContact CG2-CG 4.27Å; I157-L161 WeakPolarHBondContact O-CB 3.06Å; I157-L161 VanDerWaalsContact O-CG 3.27Å; I157-L161 WeakPolarHBondContact O-CG 3.49Å; I157-L161 PolarHBondContact O-N 3.41Å; T158-L161 PolarHBondContact O-N 2.99Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 2.92Å; L161-T164 PolarHBondContact O-N 2.91Å; L161-R165 WeakPolarHBondContact O-CB 3.32Å; L161-R165 PolarHBondContact O-N 3.23Å |
| 162 | N | 84.8 | Confident | 89.4 | Confident | 88 Ų | 88 | 96 Ų | 96 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 177.1 | -81.4 | -58.1 | 0 | 0 | 0 | 112.5 | T158 L159 T164 R165 L166 | T158-N162 WeakPolarHBondContact CG2-ND2 3.34Å; T158-N162 WeakPolarHBondContact O-CB 2.82Å; T158-N162 PolarHBondContact O-N 2.9Å; T158-N162 PolarHBondContact O-ND2 3.47Å; L159-N162 PolarHBondContact O-N 2.97Å; N162-T164 VanDerWaalsContact C-N 3.35Å; N162-R165 PolarHBondContact O-N 2.82Å; N162-L166 WeakPolarHBondContact O-CB 3.49Å; N162-L166 PolarHBondContact O-N 3.06Å |
| 163 | I | 92.8 | Very high | 88.6 | Confident | 87 Ų | 87 | 95 Ų | 95 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 174.3 | -68.5 | 167.3 | 0 | 0 | 0 | 109.6 | L159 I160 R165 L166 C167 | L159-I163 HydrophobicContact CD1-CD1 4.01Å; L159-I163 HydrophobicContact CD1-CG1 4.27Å; L159-I163 HydrophobicContact CD2-CD1 4.48Å; L159-I163 HydrophobicContact CG-CD1 3.8Å; L159-I163 HydrophobicContact CG-CG1 4.44Å; L159-I163 VanDerWaalsContact O-CG1 3.27Å; L159-I163 WeakPolarHBondContact O-CG1 3.03Å; L159-I163 PolarHBondContact O-N 2.96Å; I160-I163 PolarHBondContact O-N 3.4Å; I163-R165 VanDerWaalsContact C-N 3.31Å; I163-R165 PolarHBondContact O-N 3.14Å; I163-L166 WeakPolarHBondContact O-CB 3.3Å; I163-L166 PolarHBondContact O-N 3.36Å; I163-L166 VanDerWaalsContact O-N 3.14Å; I163-C167 WeakPolarHBondContact O-CB 3.39Å; I163-C167 PolarHBondContact O-N 2.79Å; I163-C167 PolarHBondContact O-SG 2.78Å |
| 164 | T | 87 | Confident | 87.8 | Confident | 74 Ų | 74 | 100 Ų | 100 | 45% | 0.454 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 179.2 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | I160 L161 N162 C167 M168 | I160-T164 WeakPolarHBondContact O-CB 3.48Å; I160-T164 PolarHBondContact O-N 3.35Å; I160-T164 PolarHBondContact O-OG1 3.35Å; L161-T164 PolarHBondContact O-N 2.91Å; N162-T164 VanDerWaalsContact C-N 3.35Å; T164-C167 PolarHBondContact O-N 3.14Å; T164-M168 WeakPolarHBondContact O-CB 3.31Å; T164-M168 VanDerWaalsContact O-CG 3.27Å; T164-M168 WeakPolarHBondContact O-CG 3.09Å; T164-M168 PolarHBondContact O-N 2.86Å |
| 165 | R | 88.9 | Confident | 87.5 | Confident | 194 Ų | 194 | 104.4 Ų | 104.4 | 73% | 0.732 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 176 | -171.8 | 179.8 | -174.5 | -168.9 | 1.9 | 111.8 | L161 N162 I163 M168 M169 | L161-R165 WeakPolarHBondContact O-CB 3.32Å; L161-R165 PolarHBondContact O-N 3.23Å; N162-R165 PolarHBondContact O-N 2.82Å; I163-R165 VanDerWaalsContact C-N 3.31Å; I163-R165 PolarHBondContact O-N 3.14Å; R165-M168 PolarHBondContact O-N 2.87Å; R165-M169 PolarHBondContact O-N 3.34Å |
| 166 | L | 87.3 | Confident | 86.7 | Confident | 125 Ų | 125 | 99.7 Ų | 99.7 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 176.3 | -175.2 | 64.9 | 0 | 0 | 0 | 111.2 | N162 I163 M168 M169 S170 | N162-L166 WeakPolarHBondContact O-CB 3.49Å; N162-L166 PolarHBondContact O-N 3.06Å; I163-L166 WeakPolarHBondContact O-CB 3.3Å; I163-L166 PolarHBondContact O-N 3.36Å; I163-L166 VanDerWaalsContact O-N 3.14Å; L166-M168 PolarHBondContact O-N 3.02Å; L166-M169 PolarHBondContact O-N 3.33Å; L166-S170 WeakPolarHBondContact O-CB 3.4Å; L166-S170 PolarHBondContact O-N 3.15Å; L166-S170 PolarHBondContact O-OG 2.69Å |
| 167 | C | 85.2 | Confident | 86.3 | Confident | 68 Ų | 68 | 103.6 Ų | 103.6 | 46% | 0.459 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | 176.8 | -67.6 | 0 | 0 | 0 | 0 | 112.7 | I163 T164 S170 S171 | I163-C167 WeakPolarHBondContact O-CB 3.39Å; I163-C167 PolarHBondContact O-N 2.79Å; I163-C167 PolarHBondContact O-SG 2.78Å; T164-C167 PolarHBondContact O-N 3.14Å; C167-S170 WeakPolarHBondContact CA-OG 3.23Å; C167-S170 PolarHBondContact O-OG 2.85Å; C167-S170 VanDerWaalsContact O-OG 3.09Å; C167-S171 WeakPolarHBondContact O-CB 3.39Å; C167-S171 PolarHBondContact O-N 3.44Å |
| 168 | M | 85.3 | Confident | 85.9 | Confident | 138 Ų | 138 | 107.1 Ų | 107.1 | 68% | 0.68 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.7 | -43.2 | 175.4 | -74 | -71 | -74.7 | 0 | 0 | 111.4 | T164 R165 L166 H172 | T164-M168 WeakPolarHBondContact O-CB 3.31Å; T164-M168 VanDerWaalsContact O-CG 3.27Å; T164-M168 WeakPolarHBondContact O-CG 3.09Å; T164-M168 PolarHBondContact O-N 2.86Å; R165-M168 PolarHBondContact O-N 2.87Å; L166-M168 PolarHBondContact O-N 3.02Å; M168-H172 PolarHBondContact O-N 3.42Å; M168-H172 VanDerWaalsContact O-N 3.13Å |
| 169 | M | 88.4 | Confident | 85.4 | Confident | 115 Ų | 115 | 106.7 Ų | 106.7 | 57% | 0.567 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.7 | -47 | 176.7 | -174.7 | 63 | 84.2 | 0 | 0 | 111.5 | R165 L166 S171 H172 L173 | R165-M169 PolarHBondContact O-N 3.34Å; L166-M169 PolarHBondContact O-N 3.33Å; M169-S171 VanDerWaalsContact C-N 3.27Å; M169-S171 PolarHBondContact O-N 3.1Å; M169-H172 WeakPolarHBondContact O-CB 3.35Å; M169-H172 PolarHBondContact O-N 3.48Å; M169-H172 VanDerWaalsContact O-N 3.08Å; M169-L173 HydrophobicContact CG-CD1 4.32Å; M169-L173 WeakPolarHBondContact O-CG 3.36Å; M169-L173 PolarHBondContact O-N 3.36Å |
| 170 | S | 80.8 | Confident | 84.8 | Confident | 60 Ų | 60 | 106.1 Ų | 106.1 | 42% | 0.42 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -33.9 | 178.7 | 68.3 | 0 | 0 | 0 | 0 | 112 | L166 C167 L173 R174 | L166-S170 WeakPolarHBondContact O-CB 3.4Å; L166-S170 PolarHBondContact O-N 3.15Å; L166-S170 PolarHBondContact O-OG 2.69Å; C167-S170 WeakPolarHBondContact CA-OG 3.23Å; C167-S170 PolarHBondContact O-OG 2.85Å; C167-S170 VanDerWaalsContact O-OG 3.09Å; S170-L173 PolarHBondContact O-N 2.84Å; S170-R174 WeakPolarHBondContact O-CB 3.42Å; S170-R174 PolarHBondContact O-N 2.82Å |
| 171 | S | 88.9 | Confident | 84.2 | Confident | 44 Ų | 44 | 106.3 Ų | 106.3 | 31% | 0.308 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 171.5 | -177.4 | 0 | 0 | 0 | 0 | 112 | C167 M169 R174 K175 | C167-S171 WeakPolarHBondContact O-CB 3.39Å; C167-S171 PolarHBondContact O-N 3.44Å; M169-S171 VanDerWaalsContact C-N 3.27Å; M169-S171 PolarHBondContact O-N 3.1Å; S171-R174 PolarHBondContact O-N 3.35Å; S171-K175 WeakPolarHBondContact O-CG 3.28Å; S171-K175 PolarHBondContact O-N 2.86Å |
| 172 | H | 77.5 | Confident | 83.8 | Confident | 114 Ų | 114 | 105.7 Ų | 105.7 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 175 | -167.3 | -85.4 | 0 | 0 | 0 | 111.5 | M168 M169 R174 K175 T176 | M168-H172 PolarHBondContact O-N 3.42Å; M168-H172 VanDerWaalsContact O-N 3.13Å; M169-H172 WeakPolarHBondContact O-CB 3.35Å; M169-H172 PolarHBondContact O-N 3.48Å; M169-H172 VanDerWaalsContact O-N 3.08Å; H172-R174 PolarHBondContact O-N 3.14Å; H172-K175 WeakPolarHBondContact O-CB 3.45Å; H172-K175 PolarHBondContact O-N 2.91Å; H172-T176 WeakPolarHBondContact O-CG2 3.35Å; H172-T176 PolarHBondContact O-N 3.31Å; H172-T176 PolarHBondContact O-OG1 3.48Å |
| 173 | L | 75.6 | Confident | 83.2 | Confident | 97 Ų | 97 | 106.2 Ų | 106.2 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.6 | -68.9 | 177.2 | 0 | 0 | 0 | 111.9 | M169 S170 K175 T176 E177 | M169-L173 HydrophobicContact CG-CD1 4.32Å; M169-L173 WeakPolarHBondContact O-CG 3.36Å; M169-L173 PolarHBondContact O-N 3.36Å; S170-L173 PolarHBondContact O-N 2.84Å; L173-K175 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 2.81Å; L173-T176 VanDerWaalsContact CA-OG1 3.28Å; L173-T176 WeakPolarHBondContact CA-OG1 3.36Å; L173-T176 CarbonylContact O-C 3.55Å; L173-T176 PolarHBondContact O-N 2.76Å; L173-T176 VanDerWaalsContact O-N 3.14Å; L173-T176 PolarHBondContact O-OG1 3.37Å; L173-E177 WeakPolarHBondContact O-CB 3.33Å; L173-E177 PolarHBondContact O-N 3.12Å |
| 174 | R | 80.6 | Confident | 82.1 | Confident | 181 Ų | 181 | 107.5 Ų | 107.5 | 68% | 0.683 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.6 | -35.6 | 175.4 | -167.9 | 172.8 | 69.8 | 154.3 | 1.1 | 112.2 | S170 S171 H172 K178 | S170-R174 WeakPolarHBondContact O-CB 3.42Å; S170-R174 PolarHBondContact O-N 2.82Å; S171-R174 PolarHBondContact O-N 3.35Å; H172-R174 PolarHBondContact O-N 3.14Å; R174-K178 WeakPolarHBondContact O-CB 3.28Å; R174-K178 PolarHBondContact O-N 3.34Å |
| 175 | K | 87.3 | Confident | 81.3 | Confident | 142 Ų | 142 | 112.3 Ų | 112.3 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.2 | -42.5 | 171.5 | -72.6 | 174 | -176 | -179.3 | 0 | 111.3 | S171 H172 L173 K178 A179 | S171-K175 WeakPolarHBondContact O-CG 3.28Å; S171-K175 PolarHBondContact O-N 2.86Å; H172-K175 WeakPolarHBondContact O-CB 3.45Å; H172-K175 PolarHBondContact O-N 2.91Å; L173-K175 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 2.81Å; K175-K178 PolarHBondContact O-N 3.41Å; K175-A179 WeakPolarHBondContact O-CB 3.37Å; K175-A179 PolarHBondContact O-N 3.34Å |
| 176 | T | 80.4 | Confident | 80.3 | Confident | 51 Ų | 51 | 107.1 Ų | 107.1 | 31% | 0.313 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 176.8 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | H172 L173 A179 I180 | H172-T176 WeakPolarHBondContact O-CG2 3.35Å; H172-T176 PolarHBondContact O-N 3.31Å; H172-T176 PolarHBondContact O-OG1 3.48Å; L173-T176 VanDerWaalsContact CA-OG1 3.28Å; L173-T176 WeakPolarHBondContact CA-OG1 3.36Å; L173-T176 CarbonylContact O-C 3.55Å; L173-T176 PolarHBondContact O-N 2.76Å; L173-T176 VanDerWaalsContact O-N 3.14Å; L173-T176 PolarHBondContact O-OG1 3.37Å; T176-A179 PolarHBondContact O-N 3.42Å; T176-I180 WeakPolarHBondContact O-CB 3.4Å; T176-I180 WeakPolarHBondContact O-CD1 3.25Å; T176-I180 WeakPolarHBondContact O-CG1 3.15Å; T176-I180 PolarHBondContact O-N 3.18Å |
| 177 | E | 85.3 | Confident | 79.1 | Confident | 131 Ų | 131 | 105.5 Ų | 105.5 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.5 | -47.8 | 175 | -178.5 | -175.3 | -173.5 | 0 | 0 | 110.8 | L173 A179 I180 N181 | L173-E177 WeakPolarHBondContact O-CB 3.33Å; L173-E177 PolarHBondContact O-N 3.12Å; E177-A179 VanDerWaalsContact C-N 3.33Å; E177-A179 PolarHBondContact O-N 2.95Å; E177-I180 PolarHBondContact O-N 3.47Å; E177-N181 WeakPolarHBondContact O-CB 3.3Å; E177-N181 PolarHBondContact O-N 3.48Å |
| 178 | K | 85.1 | Confident | 77.9 | Confident | 165 Ų | 165 | 102.3 Ų | 102.3 | 72% | 0.717 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 176.5 | -171.5 | 175.3 | -179 | 178.5 | 0 | 112.2 | R174 K175 E182 | R174-K178 WeakPolarHBondContact O-CB 3.28Å; R174-K178 PolarHBondContact O-N 3.34Å; K175-K178 PolarHBondContact O-N 3.41Å; K178-E182 WeakPolarHBondContact O-CB 3.14Å; K178-E182 PolarHBondContact O-N 2.79Å |
| 179 | A | 82.8 | Confident | 76.9 | Confident | 63 Ų | 63 | 99.8 Ų | 99.8 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K175 T176 E177 F183 | K175-A179 WeakPolarHBondContact O-CB 3.37Å; K175-A179 PolarHBondContact O-N 3.34Å; T176-A179 PolarHBondContact O-N 3.42Å; E177-A179 VanDerWaalsContact C-N 3.33Å; E177-A179 PolarHBondContact O-N 2.95Å; A179-F183 WeakPolarHBondContact O-CB 3.33Å; A179-F183 PolarHBondContact O-N 3.39Å |
| 180 | I | 79.2 | Confident | 75.8 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 175.8 | -69.4 | 165.4 | 0 | 0 | 0 | 110.2 | T176 E177 E182 F183 F184 | T176-I180 WeakPolarHBondContact O-CB 3.4Å; T176-I180 WeakPolarHBondContact O-CD1 3.25Å; T176-I180 WeakPolarHBondContact O-CG1 3.15Å; T176-I180 PolarHBondContact O-N 3.18Å; E177-I180 PolarHBondContact O-N 3.47Å; I180-E182 VanDerWaalsContact C-N 3.3Å; I180-E182 PolarHBondContact O-N 3.43Å; I180-F183 WeakPolarHBondContact O-CB 3.22Å; I180-F183 PolarHBondContact O-N 3.26Å; I180-F184 HydrophobicContact CG2-CD2 3.57Å; I180-F184 HydrophobicContact CG2-CE2 3.49Å; I180-F184 VanDerWaalsContact CG2-CE2 3.49Å; I180-F184 WeakPolarHBondContact O-CD2 3.44Å; I180-F184 PolarHBondContact O-N 2.89Å |
| 181 | N | 77.7 | Confident | 75.2 | Confident | 108 Ų | 108 | 104.3 Ų | 104.3 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.5 | -39.4 | 179.5 | -167.6 | 53.2 | 0 | 0 | 0 | 111.8 | E177 F184 R185 | E177-N181 WeakPolarHBondContact O-CB 3.3Å; E177-N181 PolarHBondContact O-N 3.48Å; N181-F184 PolarHBondContact O-N 2.81Å; N181-R185 VanDerWaalsContact O-CB 3.27Å; N181-R185 WeakPolarHBondContact O-CB 3.3Å; N181-R185 PolarHBondContact O-N 3.44Å |
| 182 | E | 80 | Confident | 74.2 | Confident | 79 Ų | 79 | 106.1 Ų | 106.1 | 37% | 0.369 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.7 | -42.5 | 175 | -167.7 | 66.6 | 177.8 | 0 | 0 | 111.9 | K178 I180 F184 R185 T186 | K178-E182 WeakPolarHBondContact O-CB 3.14Å; K178-E182 PolarHBondContact O-N 2.79Å; I180-E182 VanDerWaalsContact C-N 3.3Å; I180-E182 PolarHBondContact O-N 3.43Å; E182-F184 VanDerWaalsContact C-N 3.3Å; E182-F184 PolarHBondContact O-N 3.47Å; E182-R185 VanDerWaalsContact CD-NH2 3.34Å; E182-R185 PolarHBondContact O-N 3.31Å; E182-R185 VanDerWaalsContact O-N 3.11Å; E182-R185 IonicContact OE1-CZ 2.76Å; E182-R185 IonicContact OE1-NE 3.28Å; E182-R185 IonicContact OE1-NH2 3.96Å; E182-R185 PolarHBondContact OE1-NH2 3.27Å; E182-R185 IonicContact OE2-CZ 3.41Å; E182-R185 IonicContact OE2-NE 3.37Å; E182-R185 PolarHBondContact OE2-NE 3.5Å; E182-R185 IonicContact OE2-NH2 3.97Å; E182-R185 PolarHBondContact OE2-NH2 2.96Å; E182-T186 HydrophobicContact CG-CG2 4.24Å; E182-T186 PolarHBondContact O-N 2.89Å; E182-T186 PolarHBondContact O-OG1 3.37Å; E182-T186 VanDerWaalsContact O-OG1 3.05Å |
| 183 | F | 70.6 | Confident | 73.7 | Confident | 100 Ų | 100 | 106.2 Ų | 106.2 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.1 | -44.2 | 174.9 | -178.3 | -98.8 | 0 | 0 | 0 | 111.8 | A179 I180 E187 G188 | A179-F183 WeakPolarHBondContact O-CB 3.33Å; A179-F183 PolarHBondContact O-N 3.39Å; I180-F183 WeakPolarHBondContact O-CB 3.22Å; I180-F183 PolarHBondContact O-N 3.26Å; F183-E187 PolarHBondContact O-N 2.93Å; F183-E187 VanDerWaalsContact O-N 3.14Å; F183-G188 WeakPolarHBondContact O-CA 3.49Å; F183-G188 PolarHBondContact O-N 3.02Å |
| 184 | F | 70.7 | Confident | 73.6 | Confident | 113 Ų | 113 | 108.2 Ų | 108.2 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | I | π-helix | trans | -67 | -35.9 | 176 | -80.4 | -71 | 0 | 0 | 0 | 113.2 | I180 N181 E182 G188 L192 | I180-F184 HydrophobicContact CG2-CD2 3.57Å; I180-F184 HydrophobicContact CG2-CE2 3.49Å; I180-F184 VanDerWaalsContact CG2-CE2 3.49Å; I180-F184 WeakPolarHBondContact O-CD2 3.44Å; I180-F184 PolarHBondContact O-N 2.89Å; N181-F184 PolarHBondContact O-N 2.81Å; E182-F184 VanDerWaalsContact C-N 3.3Å; E182-F184 PolarHBondContact O-N 3.47Å; F184-G188 PolarHBondContact O-N 3.49Å; F184-L192 HydrophobicContact CE1-CD1 3.65Å; F184-L192 HydrophobicContact CZ-CD1 4.07Å |
| 185 | R | 70.1 | Confident | 73.1 | Confident | 175 Ų | 175 | 102.2 Ų | 102.2 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | I | π-helix | trans | -74.1 | -36.6 | -178.5 | -166.7 | 177.8 | 75.2 | 103.1 | 4.6 | 113.6 | N181 E182 | N181-R185 VanDerWaalsContact O-CB 3.27Å; N181-R185 WeakPolarHBondContact O-CB 3.3Å; N181-R185 PolarHBondContact O-N 3.44Å; E182-R185 VanDerWaalsContact CD-NH2 3.34Å; E182-R185 PolarHBondContact O-N 3.31Å; E182-R185 VanDerWaalsContact O-N 3.11Å; E182-R185 IonicContact OE1-CZ 2.76Å; E182-R185 IonicContact OE1-NE 3.28Å; E182-R185 IonicContact OE1-NH2 3.96Å; E182-R185 PolarHBondContact OE1-NH2 3.27Å; E182-R185 IonicContact OE2-CZ 3.41Å; E182-R185 IonicContact OE2-NE 3.37Å; E182-R185 PolarHBondContact OE2-NE 3.5Å; E182-R185 IonicContact OE2-NH2 3.97Å; E182-R185 PolarHBondContact OE2-NH2 2.96Å |
| 186 | T | 67.1 | Low | 72.2 | Confident | 85 Ų | 85 | 101.3 Ų | 101.3 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | I | π-helix | trans | -100.9 | -28.1 | -172.5 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | E182 | E182-T186 HydrophobicContact CG-CG2 4.24Å; E182-T186 PolarHBondContact O-N 2.89Å; E182-T186 PolarHBondContact O-OG1 3.37Å; E182-T186 VanDerWaalsContact O-OG1 3.05Å |
| 187 | E | 62.4 | Low | 71.6 | Confident | 91 Ų | 91 | 102.4 Ų | 102.4 | 43% | 0.425 | 51% | 0.509 | S | S | . | . | I | π-helix | trans | -143.4 | -7.6 | -175.5 | -81 | -162.7 | 141.5 | 0 | 0 | 114.9 | F183 K191 | F183-E187 PolarHBondContact O-N 2.93Å; F183-E187 VanDerWaalsContact O-N 3.14Å; E187-K191 HydrophobicContact CB-CG 3.94Å; E187-K191 VanDerWaalsContact CD-NZ 3.27Å; E187-K191 HydrophobicContact CG-CG 4.37Å; E187-K191 VanDerWaalsContact O-CB 3.25Å; E187-K191 WeakPolarHBondContact O-CB 3.28Å; E187-K191 WeakPolarHBondContact O-CG 3.28Å; E187-K191 PolarHBondContact O-N 3.33Å; E187-K191 IonicContact OE1-NZ 3.81Å; E187-K191 PolarHBondContact OE1-NZ 2.82Å; E187-K191 IonicContact OE2-NZ 2.67Å; E187-K191 PolarHBondContact OE2-NZ 3.23Å |
| 188 | G | 60.8 | Low | 71 | Confident | 2 Ų | 2 | 101.1 Ų | 101.1 | 2% | 0.021 | 51% | 0.505 | C | S | . | . | I | π-helix | trans | -65.5 | -49.1 | -162.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | F183 F184 E190 L192 | F183-G188 WeakPolarHBondContact O-CA 3.49Å; F183-G188 PolarHBondContact O-N 3.02Å; F184-G188 PolarHBondContact O-N 3.49Å; G188-E190 PolarHBondContact O-N 3.22Å; G188-L192 WeakPolarHBondContact O-CA 3.27Å; G188-L192 WeakPolarHBondContact O-CB 3.34Å; G188-L192 PolarHBondContact O-N 2.99Å |
| 189 | A | 63.4 | Low | 70.1 | Confident | 84 Ų | 84 | 94.6 Ų | 94.6 | 69% | 0.694 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64 | -46 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q193 | A189-Q193 WeakPolarHBondContact O-CB 3.17Å; A189-Q193 PolarHBondContact O-N 3.46Å; A189-Q193 VanDerWaalsContact O-N 3.09Å |
| 190 | E | 66.4 | Low | 69.2 | Low | 171 Ų | 171 | 97 Ų | 97 | 80% | 0.799 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -77.7 | -42.6 | -177.5 | -73.3 | -170 | 152.1 | 0 | 0 | 113.6 | G188 K194 | G188-E190 PolarHBondContact O-N 3.22Å; E190-K194 VanDerWaalsContact O-CB 3.23Å; E190-K194 WeakPolarHBondContact O-CB 3.38Å; E190-K194 PolarHBondContact O-N 3.35Å |
| 191 | K | 67.9 | Low | 68.5 | Low | 100 Ų | 100 | 102.6 Ų | 102.6 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.5 | -35.7 | 179.8 | -66.6 | -68.6 | -177.5 | 73 | 0 | 111.9 | E187 K194 A195 | E187-K191 HydrophobicContact CB-CG 3.94Å; E187-K191 VanDerWaalsContact CD-NZ 3.27Å; E187-K191 HydrophobicContact CG-CG 4.37Å; E187-K191 VanDerWaalsContact O-CB 3.25Å; E187-K191 WeakPolarHBondContact O-CB 3.28Å; E187-K191 WeakPolarHBondContact O-CG 3.28Å; E187-K191 PolarHBondContact O-N 3.33Å; E187-K191 IonicContact OE1-NZ 3.81Å; E187-K191 PolarHBondContact OE1-NZ 2.82Å; E187-K191 IonicContact OE2-NZ 2.67Å; E187-K191 PolarHBondContact OE2-NZ 3.23Å; K191-K194 PolarHBondContact O-N 3.38Å; K191-A195 VanDerWaalsContact O-CB 3.3Å; K191-A195 WeakPolarHBondContact O-CB 3.41Å; K191-A195 PolarHBondContact O-N 3.07Å |
| 192 | L | 66.8 | Low | 68.2 | Low | 82 Ų | 82 | 101 Ų | 101 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -75.1 | -37.1 | 178.5 | -153.3 | 153.8 | 0 | 0 | 0 | 110.8 | F184 G188 A195 F196 | F184-L192 HydrophobicContact CE1-CD1 3.65Å; F184-L192 HydrophobicContact CZ-CD1 4.07Å; G188-L192 WeakPolarHBondContact O-CA 3.27Å; G188-L192 WeakPolarHBondContact O-CB 3.34Å; G188-L192 PolarHBondContact O-N 2.99Å; L192-A195 PolarHBondContact O-N 3.36Å; L192-F196 WeakPolarHBondContact O-CB 3.34Å; L192-F196 PolarHBondContact O-N 2.73Å |
| 193 | Q | 68.1 | Low | 67 | Low | 115 Ų | 115 | 102.1 Ų | 102.1 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 169.9 | -168.3 | 70.2 | 11 | 0 | 0 | 111.8 | A189 F196 E197 | A189-Q193 WeakPolarHBondContact O-CB 3.17Å; A189-Q193 PolarHBondContact O-N 3.46Å; A189-Q193 VanDerWaalsContact O-N 3.09Å; Q193-F196 PolarHBondContact O-N 3.31Å; Q193-E197 WeakPolarHBondContact O-CB 3.45Å; Q193-E197 PolarHBondContact O-N 2.77Å |
| 194 | K | 74 | Confident | 66.3 | Low | 139 Ų | 139 | 103.3 Ų | 103.3 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67 | -41.2 | 175.9 | -171 | 172.4 | -176.2 | 175.4 | 0 | 112.2 | E190 K191 E197 I198 | E190-K194 VanDerWaalsContact O-CB 3.23Å; E190-K194 WeakPolarHBondContact O-CB 3.38Å; E190-K194 PolarHBondContact O-N 3.35Å; K191-K194 PolarHBondContact O-N 3.38Å; K194-E197 PolarHBondContact O-N 2.86Å; K194-I198 HydrophobicContact CG-CD1 4.12Å; K194-I198 WeakPolarHBondContact O-CB 3.36Å; K194-I198 WeakPolarHBondContact O-CD1 3.23Å; K194-I198 WeakPolarHBondContact O-CG1 3.42Å; K194-I198 PolarHBondContact O-N 3.15Å |
| 195 | A | 69.5 | Low | 65.3 | Low | 56 Ų | 56 | 102.2 Ų | 102.2 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K191 L192 I198 A199 | K191-A195 VanDerWaalsContact O-CB 3.3Å; K191-A195 WeakPolarHBondContact O-CB 3.41Å; K191-A195 PolarHBondContact O-N 3.07Å; L192-A195 PolarHBondContact O-N 3.36Å; A195-I198 PolarHBondContact O-N 2.94Å; A195-A199 VanDerWaalsContact O-CB 3.29Å; A195-A199 WeakPolarHBondContact O-CB 3.22Å; A195-A199 PolarHBondContact O-N 3.3Å |
| 196 | F | 68.1 | Low | 64.4 | Low | 122 Ų | 122 | 98.2 Ų | 98.2 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 174.1 | -177.4 | -98 | 0 | 0 | 0 | 111.8 | L192 Q193 I198 A199 K200 | L192-F196 WeakPolarHBondContact O-CB 3.34Å; L192-F196 PolarHBondContact O-N 2.73Å; Q193-F196 PolarHBondContact O-N 3.31Å; F196-I198 VanDerWaalsContact C-N 3.35Å; F196-I198 PolarHBondContact O-N 2.82Å; F196-A199 PolarHBondContact O-N 3.33Å; F196-K200 WeakPolarHBondContact O-CB 3.48Å; F196-K200 PolarHBondContact O-N 2.85Å |
| 197 | E | 68.6 | Low | 64 | Low | 75 Ų | 75 | 96.7 Ų | 96.7 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.3 | -30.8 | 175.4 | -79.5 | -61.4 | 131.1 | 0 | 0 | 113.1 | Q193 K194 K200 | Q193-E197 WeakPolarHBondContact O-CB 3.45Å; Q193-E197 PolarHBondContact O-N 2.77Å; K194-E197 PolarHBondContact O-N 2.86Å; E197-K200 IonicContact OE1-NZ 3.23Å; E197-K200 PolarHBondContact OE1-NZ 2.79Å |
| 198 | I | 72 | Confident | 64 | Low | 103 Ų | 103 | 96 Ų | 96 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.8 | -43.8 | 170.2 | -68.9 | 163.6 | 0 | 0 | 0 | 110.4 | K194 A195 F196 K200 R201 | K194-I198 HydrophobicContact CG-CD1 4.12Å; K194-I198 WeakPolarHBondContact O-CB 3.36Å; K194-I198 WeakPolarHBondContact O-CD1 3.23Å; K194-I198 WeakPolarHBondContact O-CG1 3.42Å; K194-I198 PolarHBondContact O-N 3.15Å; A195-I198 PolarHBondContact O-N 2.94Å; F196-I198 VanDerWaalsContact C-N 3.35Å; F196-I198 PolarHBondContact O-N 2.82Å; I198-K200 VanDerWaalsContact C-N 3.28Å; I198-K200 PolarHBondContact O-N 3.5Å; I198-R201 WeakPolarHBondContact O-CB 3.21Å; I198-R201 PolarHBondContact O-N 2.92Å |
| 199 | A | 66.1 | Low | 64.1 | Low | 28 Ų | 28 | 104.4 Ų | 104.4 | 23% | 0.231 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A195 F196 R201 I202 I205 | A195-A199 VanDerWaalsContact O-CB 3.29Å; A195-A199 WeakPolarHBondContact O-CB 3.22Å; A195-A199 PolarHBondContact O-N 3.3Å; F196-A199 PolarHBondContact O-N 3.33Å; A199-R201 PolarHBondContact O-N 2.89Å; A199-I202 HydrophobicContact CB-CD1 4.39Å; A199-I202 VanDerWaalsContact O-CB 3.26Å; A199-I202 WeakPolarHBondContact O-CB 3.41Å; A199-I202 WeakPolarHBondContact O-CG1 3.43Å; A199-I202 PolarHBondContact O-N 2.89Å; A199-I205 HydrophobicContact CB-CD1 4Å; A199-I205 WeakPolarHBondContact O-CD1 3.19Å |
| 200 | K | 64.3 | Low | 64 | Low | 115 Ų | 115 | 102.6 Ų | 102.6 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.2 | 174.1 | -164.9 | 178.1 | -178.3 | -178.2 | 0 | 113.6 | F196 E197 I198 T206 | F196-K200 WeakPolarHBondContact O-CB 3.48Å; F196-K200 PolarHBondContact O-N 2.85Å; E197-K200 IonicContact OE1-NZ 3.23Å; E197-K200 PolarHBondContact OE1-NZ 2.79Å; I198-K200 VanDerWaalsContact C-N 3.28Å; I198-K200 PolarHBondContact O-N 3.5Å; K200-T206 WeakPolarHBondContact O-CG2 3.34Å |
| 201 | R | 64.4 | Low | 63.8 | Low | 211 Ų | 211 | 98.6 Ų | 98.6 | 80% | 0.796 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -7.8 | 172.9 | -66 | 179.4 | -179.9 | -111.8 | 0.6 | 113.1 | I198 A199 | I198-R201 WeakPolarHBondContact O-CB 3.21Å; I198-R201 PolarHBondContact O-N 2.92Å; A199-R201 PolarHBondContact O-N 2.89Å |
| 202 | I | 71.4 | Confident | 63.8 | Low | 76 Ų | 76 | 98.6 Ų | 98.6 | 39% | 0.39 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -75.5 | 125.3 | 174 | -55.8 | 174.3 | 0 | 0 | 0 | 107.8 | A199 I204 I205 | A199-I202 HydrophobicContact CB-CD1 4.39Å; A199-I202 VanDerWaalsContact O-CB 3.26Å; A199-I202 WeakPolarHBondContact O-CB 3.41Å; A199-I202 WeakPolarHBondContact O-CG1 3.43Å; A199-I202 PolarHBondContact O-N 2.89Å; I202-I204 HydrophobicContact CG2-CB 4.11Å; I202-I204 HydrophobicContact CG2-CD1 4.07Å; I202-I204 HydrophobicContact CG2-CG1 4.01Å; I202-I204 PolarHBondContact O-N 2.84Å; I202-I205 PolarHBondContact O-N 2.94Å |
| 203 | P | 55.3 | Low | 63.8 | Low | 102 Ų | 102 | 100 Ų | 100 | 66% | 0.662 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -10.8 | -174 | 20.6 | -31.2 | 0 | 0 | 0 | 114.9 | T206 | P203-T206 WeakPolarHBondContact CA-OG1 3.38Å; P203-T206 PolarHBondContact O-OG1 2.81Å |
| 204 | I | 55.5 | Low | 63.7 | Low | 124 Ų | 124 | 97 Ų | 97 | 64% | 0.636 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -29.6 | 176.2 | -57.5 | 172.8 | 0 | 0 | 0 | 111.7 | I202 T210 | I202-I204 HydrophobicContact CG2-CB 4.11Å; I202-I204 HydrophobicContact CG2-CD1 4.07Å; I202-I204 HydrophobicContact CG2-CG1 4.01Å; I202-I204 PolarHBondContact O-N 2.84Å; I204-T210 WeakPolarHBondContact O-CB 3.42Å; I204-T210 VanDerWaalsContact O-CG2 3.31Å; I204-T210 WeakPolarHBondContact O-CG2 3.41Å; I204-T210 PolarHBondContact O-OG1 2.61Å |
| 205 | I | 50.2 | Low | 63.7 | Low | 90 Ų | 90 | 95.2 Ų | 95.2 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -20.5 | -176.5 | -40.8 | -174.1 | 0 | 0 | 0 | 111.7 | A199 I202 | A199-I205 HydrophobicContact CB-CD1 4Å; A199-I205 WeakPolarHBondContact O-CD1 3.19Å; I202-I205 PolarHBondContact O-N 2.94Å |
| 206 | T | 50.9 | Low | 63.9 | Low | 92 Ų | 92 | 96.3 Ų | 96.3 | 56% | 0.564 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -84 | -7.9 | -179.9 | 58.2 | 0 | 0 | 0 | 0 | 114.2 | K200 P203 A208 | K200-T206 WeakPolarHBondContact O-CG2 3.34Å; P203-T206 WeakPolarHBondContact CA-OG1 3.38Å; P203-T206 PolarHBondContact O-OG1 2.81Å; T206-A208 PolarHBondContact O-N 3.39Å |
| 207 | S | 58.4 | Low | 64.2 | Low | 52 Ų | 52 | 94.1 Ų | 94.1 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -67.2 | 128.5 | 172.4 | 160.1 | 0 | 0 | 0 | 0 | 109.2 | K209 T210 L211 | S207-K209 PolarHBondContact O-N 2.87Å; S207-K209 VanDerWaalsContact O-N 3.1Å; S207-K209 PolarHBondContact OG-N 2.91Å; S207-T210 VanDerWaalsContact CB-OG1 3.27Å; S207-T210 WeakPolarHBondContact CB-OG1 3.44Å; S207-T210 PolarHBondContact O-N 2.88Å; S207-T210 PolarHBondContact O-OG1 3.5Å; S207-L211 PolarHBondContact O-N 3.5Å; S207-L211 VanDerWaalsContact O-N 3.15Å |
| 208 | A | 62.8 | Low | 64.2 | Low | 76 Ų | 76 | 97.1 Ų | 97.1 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -54.6 | -30.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T206 E212 | T206-A208 PolarHBondContact O-N 3.39Å; A208-E212 WeakPolarHBondContact O-CG 3.47Å; A208-E212 PolarHBondContact O-N 2.97Å; A208-E212 VanDerWaalsContact O-N 3.14Å |
| 209 | K | 62 | Low | 64.3 | Low | 179 Ų | 179 | 98.7 Ų | 98.7 | 78% | 0.778 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.6 | -37.4 | 176.1 | -92.4 | -179.7 | 174.1 | 172 | 0 | 113.6 | S207 L213 | S207-K209 PolarHBondContact O-N 2.87Å; S207-K209 VanDerWaalsContact O-N 3.1Å; S207-K209 PolarHBondContact OG-N 2.91Å; K209-L213 WeakPolarHBondContact O-CB 3.3Å; K209-L213 PolarHBondContact O-N 2.94Å |
| 210 | T | 60.6 | Low | 64.6 | Low | 47 Ų | 47 | 103.6 Ų | 103.6 | 29% | 0.288 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -77.8 | -29.4 | 178.3 | 34.5 | 0 | 0 | 0 | 0 | 112.4 | I204 S207 A214 | I204-T210 WeakPolarHBondContact O-CB 3.42Å; I204-T210 VanDerWaalsContact O-CG2 3.31Å; I204-T210 WeakPolarHBondContact O-CG2 3.41Å; I204-T210 PolarHBondContact O-OG1 2.61Å; S207-T210 VanDerWaalsContact CB-OG1 3.27Å; S207-T210 WeakPolarHBondContact CB-OG1 3.44Å; S207-T210 PolarHBondContact O-N 2.88Å; S207-T210 PolarHBondContact O-OG1 3.5Å; T210-A214 WeakPolarHBondContact O-CB 3.29Å; T210-A214 PolarHBondContact O-N 2.67Å |
| 211 | L | 62 | Low | 65 | Low | 87 Ų | 87 | 101.9 Ų | 101.9 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.8 | -44 | 172.8 | -176.1 | 66.3 | 0 | 0 | 0 | 111.6 | S207 A214 K215 | S207-L211 PolarHBondContact O-N 3.5Å; S207-L211 VanDerWaalsContact O-N 3.15Å; L211-A214 PolarHBondContact O-N 3.06Å; L211-K215 VanDerWaalsContact O-CG 3.32Å; L211-K215 WeakPolarHBondContact O-CG 3.32Å; L211-K215 PolarHBondContact O-N 2.96Å |
| 212 | E | 68.8 | Low | 65.3 | Low | 99 Ų | 99 | 98.7 Ų | 98.7 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 175.5 | -66 | -53.3 | 128.3 | 0 | 0 | 111.6 | A208 A214 K215 V216 | A208-E212 WeakPolarHBondContact O-CG 3.47Å; A208-E212 PolarHBondContact O-N 2.97Å; A208-E212 VanDerWaalsContact O-N 3.14Å; E212-A214 PolarHBondContact O-N 3.44Å; E212-K215 PolarHBondContact O-N 3.16Å; E212-K215 IonicContact OE1-NZ 3.38Å; E212-K215 PolarHBondContact OE1-NZ 2.94Å; E212-V216 VanDerWaalsContact O-CG2 3.28Å; E212-V216 WeakPolarHBondContact O-CG2 3.46Å; E212-V216 PolarHBondContact O-N 2.98Å |
| 213 | L | 67 | Low | 65.5 | Low | 112 Ų | 112 | 98.6 Ų | 98.6 | 59% | 0.586 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -39.3 | 173.4 | -172.7 | 63 | 0 | 0 | 0 | 112.1 | K209 V216 T217 | K209-L213 WeakPolarHBondContact O-CB 3.3Å; K209-L213 PolarHBondContact O-N 2.94Å; L213-V216 PolarHBondContact O-N 3.2Å; L213-T217 WeakPolarHBondContact O-CB 3.42Å; L213-T217 PolarHBondContact O-N 3.09Å; L213-T217 PolarHBondContact O-OG1 2.79Å |
| 214 | A | 66.6 | Low | 66.3 | Low | 53 Ų | 53 | 100.1 Ų | 100.1 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T210 L211 E212 T217 Q218 | T210-A214 WeakPolarHBondContact O-CB 3.29Å; T210-A214 PolarHBondContact O-N 2.67Å; L211-A214 PolarHBondContact O-N 3.06Å; E212-A214 PolarHBondContact O-N 3.44Å; A214-T217 PolarHBondContact O-N 2.86Å; A214-Q218 VanDerWaalsContact O-CB 3.31Å; A214-Q218 WeakPolarHBondContact O-CB 2.98Å; A214-Q218 PolarHBondContact O-N 3.18Å |
| 215 | K | 72.2 | Confident | 67.1 | Low | 101 Ų | 101 | 96.7 Ų | 96.7 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 173.6 | -73.8 | 172.5 | -174.5 | 168.7 | 0 | 111.9 | L211 E212 T217 Q218 F219 | L211-K215 VanDerWaalsContact O-CG 3.32Å; L211-K215 WeakPolarHBondContact O-CG 3.32Å; L211-K215 PolarHBondContact O-N 2.96Å; E212-K215 PolarHBondContact O-N 3.16Å; E212-K215 IonicContact OE1-NZ 3.38Å; E212-K215 PolarHBondContact OE1-NZ 2.94Å; K215-T217 VanDerWaalsContact C-N 3.34Å; K215-Q218 PolarHBondContact O-N 2.9Å; K215-F219 VanDerWaalsContact O-CB 3.3Å; K215-F219 WeakPolarHBondContact O-CB 3.43Å; K215-F219 PolarHBondContact O-N 2.78Å |
| 216 | V | 74.4 | Confident | 68.5 | Low | 79 Ų | 79 | 97.8 Ų | 97.8 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | E212 L213 K220 | E212-V216 VanDerWaalsContact O-CG2 3.28Å; E212-V216 WeakPolarHBondContact O-CG2 3.46Å; E212-V216 PolarHBondContact O-N 2.98Å; L213-V216 PolarHBondContact O-N 3.2Å; V216-K220 HydrophobicContact CG1-CG 4.28Å; V216-K220 VanDerWaalsContact O-CB 3.25Å; V216-K220 WeakPolarHBondContact O-CB 3.35Å; V216-K220 WeakPolarHBondContact O-CG 3.41Å; V216-K220 PolarHBondContact O-N 2.87Å |
| 217 | T | 73.8 | Confident | 69.5 | Low | 75 Ų | 75 | 99.8 Ų | 99.8 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 177.4 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | L213 A214 K215 K220 T221 | L213-T217 WeakPolarHBondContact O-CB 3.42Å; L213-T217 PolarHBondContact O-N 3.09Å; L213-T217 PolarHBondContact O-OG1 2.79Å; A214-T217 PolarHBondContact O-N 2.86Å; K215-T217 VanDerWaalsContact C-N 3.34Å; T217-K220 PolarHBondContact O-N 3.46Å; T217-T221 WeakPolarHBondContact O-CB 3.28Å; T217-T221 PolarHBondContact O-N 2.81Å; T217-T221 PolarHBondContact O-OG1 2.86Å |
| 218 | Q | 69.8 | Low | 70.3 | Confident | 138 Ų | 138 | 101.4 Ų | 101.4 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61 | -47.1 | 177.4 | -171.2 | -176.1 | 8.3 | 0 | 0 | 111.7 | A214 K215 T221 M222 | A214-Q218 VanDerWaalsContact O-CB 3.31Å; A214-Q218 WeakPolarHBondContact O-CB 2.98Å; A214-Q218 PolarHBondContact O-N 3.18Å; K215-Q218 PolarHBondContact O-N 2.9Å; Q218-T221 VanDerWaalsContact CA-OG1 3.23Å; Q218-T221 WeakPolarHBondContact CA-OG1 2.93Å; Q218-T221 PolarHBondContact O-N 2.9Å; Q218-T221 PolarHBondContact O-OG1 3.39Å; Q218-M222 WeakPolarHBondContact O-CB 3.35Å; Q218-M222 PolarHBondContact O-N 2.95Å |
| 219 | F | 73.2 | Confident | 70.9 | Confident | 136 Ų | 136 | 104.6 Ų | 104.6 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61 | -47.4 | 176.9 | -174.8 | -91.1 | 0 | 0 | 0 | 111.2 | K215 T221 M222 E223 | K215-F219 VanDerWaalsContact O-CB 3.3Å; K215-F219 WeakPolarHBondContact O-CB 3.43Å; K215-F219 PolarHBondContact O-N 2.78Å; F219-T221 PolarHBondContact O-N 3.12Å; F219-M222 PolarHBondContact O-N 2.97Å; F219-E223 WeakPolarHBondContact O-CB 3.01Å; F219-E223 PolarHBondContact O-N 3.05Å |
| 220 | K | 72.1 | Confident | 71.6 | Confident | 132 Ų | 132 | 101 Ų | 101 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.4 | -39.9 | 175.7 | -74.8 | -84.6 | -175.5 | -179.2 | 0 | 112.5 | V216 T217 E223 F224 | V216-K220 HydrophobicContact CG1-CG 4.28Å; V216-K220 VanDerWaalsContact O-CB 3.25Å; V216-K220 WeakPolarHBondContact O-CB 3.35Å; V216-K220 WeakPolarHBondContact O-CG 3.41Å; V216-K220 PolarHBondContact O-N 2.87Å; T217-K220 PolarHBondContact O-N 3.46Å; K220-E223 PolarHBondContact O-N 3Å; K220-F224 VanDerWaalsContact O-CB 3.28Å; K220-F224 WeakPolarHBondContact O-CB 3.36Å; K220-F224 PolarHBondContact O-N 3.19Å |
| 221 | T | 72.9 | Confident | 72.1 | Confident | 79 Ų | 79 | 103.9 Ų | 103.9 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70 | -35.6 | 176.6 | 42.4 | 0 | 0 | 0 | 0 | 112.7 | T217 Q218 F219 F224 A225 | T217-T221 WeakPolarHBondContact O-CB 3.28Å; T217-T221 PolarHBondContact O-N 2.81Å; T217-T221 PolarHBondContact O-OG1 2.86Å; Q218-T221 VanDerWaalsContact CA-OG1 3.23Å; Q218-T221 WeakPolarHBondContact CA-OG1 2.93Å; Q218-T221 PolarHBondContact O-N 2.9Å; Q218-T221 PolarHBondContact O-OG1 3.39Å; F219-T221 PolarHBondContact O-N 3.12Å; T221-F224 PolarHBondContact O-N 2.77Å; T221-A225 WeakPolarHBondContact O-CB 3.48Å; T221-A225 PolarHBondContact O-N 2.8Å |
| 222 | M | 71.9 | Confident | 72.3 | Confident | 144 Ų | 144 | 102.5 Ų | 102.5 | 71% | 0.709 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.1 | -40.3 | 175.3 | -176.9 | 173.7 | 176.1 | 0 | 0 | 110.9 | Q218 F219 A225 R226 | Q218-M222 WeakPolarHBondContact O-CB 3.35Å; Q218-M222 PolarHBondContact O-N 2.95Å; F219-M222 PolarHBondContact O-N 2.97Å; M222-A225 PolarHBondContact O-N 2.89Å; M222-R226 PolarHBondContact O-N 2.96Å |
| 223 | E | 75.8 | Confident | 72.1 | Confident | 73 Ų | 73 | 108.5 Ų | 108.5 | 34% | 0.341 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 174.5 | -170 | 171.4 | -152.1 | 0 | 0 | 111.5 | F219 K220 A225 R226 Y227 | F219-E223 WeakPolarHBondContact O-CB 3.01Å; F219-E223 PolarHBondContact O-N 3.05Å; K220-E223 PolarHBondContact O-N 3Å; E223-A225 PolarHBondContact O-N 2.8Å; E223-R226 WeakPolarHBondContact O-CB 3.05Å; E223-R226 PolarHBondContact O-N 2.78Å; E223-Y227 HydrophobicContact CG-CD2 4.08Å; E223-Y227 HydrophobicContact CG-CE2 3.78Å; E223-Y227 WeakPolarHBondContact O-CD2 3.06Å; E223-Y227 PolarHBondContact O-N 3.32Å |
| 224 | F | 71.9 | Confident | 72 | Confident | 135 Ų | 135 | 107 Ų | 107 | 59% | 0.592 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 174.2 | -176.2 | -112.1 | 0 | 0 | 0 | 112.5 | K220 T221 R226 Y227 I228 | K220-F224 VanDerWaalsContact O-CB 3.28Å; K220-F224 WeakPolarHBondContact O-CB 3.36Å; K220-F224 PolarHBondContact O-N 3.19Å; T221-F224 PolarHBondContact O-N 2.77Å; F224-R226 VanDerWaalsContact C-N 3.35Å; F224-R226 PolarHBondContact O-N 2.8Å; F224-Y227 PolarHBondContact O-N 2.79Å; F224-I228 HydrophobicContact CD1-CD1 3.7Å; F224-I228 HydrophobicContact CE1-CD1 3.33Å; F224-I228 HydrophobicContact CE1-CG1 4.33Å; F224-I228 HydrophobicContact CE2-CD1 4.4Å; F224-I228 HydrophobicContact CG-CD1 4.4Å; F224-I228 HydrophobicContact CZ-CD1 3.71Å; F224-I228 HydrophobicContact CZ-CG1 4.34Å; F224-I228 WeakPolarHBondContact O-CG1 3.44Å; F224-I228 PolarHBondContact O-N 2.85Å |
| 225 | A | 72.2 | Confident | 71.8 | Confident | 52 Ų | 52 | 109.1 Ų | 109.1 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T221 M222 E223 Y227 I228 E229 | T221-A225 WeakPolarHBondContact O-CB 3.48Å; T221-A225 PolarHBondContact O-N 2.8Å; M222-A225 PolarHBondContact O-N 2.89Å; E223-A225 PolarHBondContact O-N 2.8Å; A225-Y227 VanDerWaalsContact C-N 3.35Å; A225-Y227 PolarHBondContact O-N 2.84Å; A225-I228 PolarHBondContact O-N 2.92Å; A225-E229 PolarHBondContact O-N 3.12Å |
| 226 | R | 79.3 | Confident | 70.8 | Confident | 113 Ų | 113 | 109.8 Ų | 109.8 | 43% | 0.426 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 174.5 | -162.9 | -163.9 | 74.9 | 74.7 | 12.9 | 111.8 | M222 E223 F224 E229 E230 | M222-R226 PolarHBondContact O-N 2.96Å; E223-R226 WeakPolarHBondContact O-CB 3.05Å; E223-R226 PolarHBondContact O-N 2.78Å; F224-R226 VanDerWaalsContact C-N 3.35Å; F224-R226 PolarHBondContact O-N 2.8Å; R226-E229 PolarHBondContact O-N 2.86Å; R226-E230 IonicContact CZ-OE2 2.78Å; R226-E230 VanDerWaalsContact CZ-OE2 3.28Å; R226-E230 IonicContact NH1-OE2 2.79Å; R226-E230 PolarHBondContact NH1-OE2 2.04Å; R226-E230 IonicContact NH2-OE2 2.89Å; R226-E230 PolarHBondContact NH2-OE2 3.23Å; R226-E230 WeakPolarHBondContact O-CB 3.5Å; R226-E230 PolarHBondContact O-N 2.79Å |
| 227 | Y | 72.1 | Confident | 69.7 | Low | 133 Ų | 133 | 111.9 Ų | 111.9 | 52% | 0.522 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.4 | -38.2 | 174.2 | -84.2 | -67.1 | 0 | 0 | 0 | 112.6 | E223 F224 A225 E230 L231 | E223-Y227 HydrophobicContact CG-CD2 4.08Å; E223-Y227 HydrophobicContact CG-CE2 3.78Å; E223-Y227 WeakPolarHBondContact O-CD2 3.06Å; E223-Y227 PolarHBondContact O-N 3.32Å; F224-Y227 PolarHBondContact O-N 2.79Å; A225-Y227 VanDerWaalsContact C-N 3.35Å; A225-Y227 PolarHBondContact O-N 2.84Å; Y227-E230 PolarHBondContact O-N 2.78Å; Y227-L231 VanDerWaalsContact O-CB 3.27Å; Y227-L231 WeakPolarHBondContact O-CB 3.39Å; Y227-L231 PolarHBondContact O-N 2.78Å |
| 228 | I | 74.7 | Confident | 68.5 | Low | 86 Ų | 86 | 112 Ų | 112 | 44% | 0.441 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.5 | -42 | 174.9 | -70.7 | 169.4 | 0 | 0 | 0 | 111.1 | F224 A225 E230 L231 A232 | F224-I228 HydrophobicContact CD1-CD1 3.7Å; F224-I228 HydrophobicContact CE1-CD1 3.33Å; F224-I228 HydrophobicContact CE1-CG1 4.33Å; F224-I228 HydrophobicContact CE2-CD1 4.4Å; F224-I228 HydrophobicContact CG-CD1 4.4Å; F224-I228 HydrophobicContact CZ-CD1 3.71Å; F224-I228 HydrophobicContact CZ-CG1 4.34Å; F224-I228 WeakPolarHBondContact O-CG1 3.44Å; F224-I228 PolarHBondContact O-N 2.85Å; A225-I228 PolarHBondContact O-N 2.92Å; I228-E230 VanDerWaalsContact C-N 3.34Å; I228-L231 PolarHBondContact O-N 2.86Å; I228-A232 WeakPolarHBondContact O-CB 3.38Å; I228-A232 PolarHBondContact O-N 2.78Å |
| 229 | E | 76.4 | Confident | 67.7 | Low | 144 Ų | 144 | 111 Ų | 111 | 67% | 0.673 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.8 | -39.8 | 177.3 | -171.1 | 174 | -171.6 | 0 | 0 | 111.7 | A225 R226 A232 R233 | A225-E229 PolarHBondContact O-N 3.12Å; R226-E229 PolarHBondContact O-N 2.86Å; E229-A232 PolarHBondContact O-N 2.95Å; E229-R233 WeakPolarHBondContact O-CB 3.41Å; E229-R233 PolarHBondContact O-N 3.19Å |
| 230 | E | 75.6 | Confident | 66.7 | Low | 103 Ų | 103 | 111.4 Ų | 111.4 | 48% | 0.481 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.2 | -33.1 | 176.7 | -161.1 | 146 | -142.1 | 0 | 0 | 112.3 | R226 Y227 I228 R233 S234 | R226-E230 IonicContact CZ-OE2 2.78Å; R226-E230 VanDerWaalsContact CZ-OE2 3.28Å; R226-E230 IonicContact NH1-OE2 2.79Å; R226-E230 PolarHBondContact NH1-OE2 2.04Å; R226-E230 IonicContact NH2-OE2 2.89Å; R226-E230 PolarHBondContact NH2-OE2 3.23Å; R226-E230 WeakPolarHBondContact O-CB 3.5Å; R226-E230 PolarHBondContact O-N 2.79Å; Y227-E230 PolarHBondContact O-N 2.78Å; I228-E230 VanDerWaalsContact C-N 3.34Å; E230-R233 PolarHBondContact O-N 3.44Å; E230-S234 WeakPolarHBondContact O-CB 3.46Å; E230-S234 PolarHBondContact O-N 3.41Å; E230-S234 VanDerWaalsContact O-N 3.09Å; E230-S234 PolarHBondContact O-OG 2.78Å |
| 231 | L | 71.8 | Confident | 65.8 | Low | 108 Ų | 108 | 109.7 Ų | 109.7 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.9 | -43.5 | 169.7 | -173.5 | 64.5 | 0 | 0 | 0 | 111.5 | Y227 I228 R233 S234 I235 | Y227-L231 VanDerWaalsContact O-CB 3.27Å; Y227-L231 WeakPolarHBondContact O-CB 3.39Å; Y227-L231 PolarHBondContact O-N 2.78Å; I228-L231 PolarHBondContact O-N 2.86Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 2.88Å; L231-S234 WeakPolarHBondContact CA-OG 3.38Å; L231-S234 PolarHBondContact O-N 3.1Å; L231-S234 PolarHBondContact O-OG 3.47Å; L231-I235 WeakPolarHBondContact O-CG1 3.36Å; L231-I235 PolarHBondContact O-N 2.99Å; L231-I235 VanDerWaalsContact O-N 3.16Å |
| 232 | A | 65.1 | Low | 64.9 | Low | 57 Ų | 57 | 113.7 Ų | 113.7 | 47% | 0.471 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.6 | -33.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I228 E229 | I228-A232 WeakPolarHBondContact O-CB 3.38Å; I228-A232 PolarHBondContact O-N 2.78Å; E229-A232 PolarHBondContact O-N 2.95Å |
| 233 | R | 65 | Low | 64 | Low | 225 Ų | 225 | 112.2 Ų | 112.2 | 85% | 0.849 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -77.7 | -23.6 | 176.8 | -173.7 | 176.7 | 154.8 | 86.9 | 3.6 | 113.6 | E229 E230 L231 | E229-R233 WeakPolarHBondContact O-CB 3.41Å; E229-R233 PolarHBondContact O-N 3.19Å; E230-R233 PolarHBondContact O-N 3.44Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 2.88Å |
| 234 | S | 64.2 | Low | 62.8 | Low | 80 Ų | 80 | 112.2 Ų | 112.2 | 56% | 0.559 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -91.2 | -9.8 | 178.2 | 53 | 0 | 0 | 0 | 0 | 113.9 | E230 L231 P236 | E230-S234 WeakPolarHBondContact O-CB 3.46Å; E230-S234 PolarHBondContact O-N 3.41Å; E230-S234 VanDerWaalsContact O-N 3.09Å; E230-S234 PolarHBondContact O-OG 2.78Å; L231-S234 WeakPolarHBondContact CA-OG 3.38Å; L231-S234 PolarHBondContact O-N 3.1Å; L231-S234 PolarHBondContact O-OG 3.47Å; S234-P236 VanDerWaalsContact O-CD 3.22Å; S234-P236 WeakPolarHBondContact O-CD 3.31Å |
| 235 | I | 63.4 | Low | 61.9 | Low | 99 Ų | 99 | 115 Ų | 115 | 51% | 0.508 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -76.7 | 111.6 | 167.1 | -65.3 | 161.9 | 0 | 0 | 0 | 107.4 | L231 L237 | L231-I235 WeakPolarHBondContact O-CG1 3.36Å; L231-I235 PolarHBondContact O-N 2.99Å; L231-I235 VanDerWaalsContact O-N 3.16Å; I235-L237 PolarHBondContact O-N 2.86Å |
| 236 | P | 50.7 | Low | 61 | Low | 114 Ų | 114 | 114.5 Ų | 114.5 | 74% | 0.74 | 59% | 0.591 | S | S | * | * | trans | -65.3 | 101.2 | 175.3 | 27.1 | -32 | 0 | 0 | 0 | 108.2 | S234 P238 | S234-P236 VanDerWaalsContact O-CD 3.22Å; S234-P236 WeakPolarHBondContact O-CD 3.31Å; P236-P238 WeakPolarHBondContact O-CD 3.22Å | ||
| 237 | L | 52.4 | Low | 59.5 | Low | 123 Ų | 123 | 115.4 Ų | 115.4 | 64% | 0.644 | 60% | 0.598 | S | S | * | * | trans | -61.6 | 125.7 | 169.9 | -72.3 | 164.7 | 0 | 0 | 0 | 107.5 | I235 I241 | I235-L237 PolarHBondContact O-N 2.86Å; L237-I241 HydrophobicContact CD2-CD1 4Å | ||
| 238 | P | 47.9 | Very low | 58.6 | Low | 77 Ų | 77 | 115.8 Ų | 115.8 | 50% | 0.5 | 61% | 0.607 | S | S | . | * | trans | -54.2 | 140.2 | 171.1 | -22.6 | 32.9 | 0 | 0 | 0 | 109.1 | P236 L240 I241 | P236-P238 WeakPolarHBondContact O-CD 3.22Å; P238-L240 PolarHBondContact O-N 2.82Å; P238-I241 PolarHBondContact O-N 2.99Å | ||
| 239 | P | 53.8 | Low | 57.7 | Low | 119 Ų | 119 | 117.3 Ų | 117.3 | 77% | 0.773 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -0.9 | -177.2 | 23.7 | -33.3 | 0 | 0 | 0 | 114.4 | ||
| 240 | L | 50.5 | Low | 56.4 | Low | 143 Ų | 143 | 116.9 Ų | 116.9 | 75% | 0.749 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -10.3 | -179 | -64.4 | 170.3 | 0 | 0 | 0 | 114.4 | P238 | P238-L240 PolarHBondContact O-N 2.82Š|
| 241 | I | 53.3 | Low | 55.4 | Low | 97 Ų | 97 | 116.3 Ų | 116.3 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -88.2 | -18.9 | -177.9 | -64.3 | 171.1 | 0 | 0 | 0 | 112.8 | L237 P238 N243 C244 | L237-I241 HydrophobicContact CD2-CD1 4Å; P238-I241 PolarHBondContact O-N 2.99Å; I241-N243 PolarHBondContact O-N 2.96Å; I241-N243 VanDerWaalsContact O-N 3.14Å; I241-C244 PolarHBondContact O-N 2.87Å |
| 242 | L | 54.4 | Low | 54.2 | Low | 162 Ų | 162 | 119.3 Ų | 119.3 | 85% | 0.848 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -15.4 | 175.8 | -104 | 119.2 | 0 | 0 | 0 | 113.5 | ||
| 243 | N | 53.4 | Low | 53.5 | Low | 114 Ų | 114 | 123.1 Ų | 123.1 | 61% | 0.61 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -3.9 | -177.8 | -133.3 | 13.5 | 0 | 0 | 0 | 114.3 | I241 R245 A246 F247 | I241-N243 PolarHBondContact O-N 2.96Å; I241-N243 VanDerWaalsContact O-N 3.14Å; N243-R245 PolarHBondContact O-N 3.13Å; N243-A246 PolarHBondContact O-N 3.38Å; N243-A246 WeakPolarHBondContact OD1-CB 3.3Å; N243-F247 PolarHBondContact O-N 3.29Å |
| 244 | C | 51.2 | Low | 52.8 | Low | 72 Ų | 72 | 116.5 Ų | 116.5 | 49% | 0.486 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.8 | -21.8 | 177.6 | -68.5 | 0 | 0 | 0 | 0 | 112.8 | I241 M248 | I241-C244 PolarHBondContact O-N 2.87Å; C244-M248 PolarHBondContact O-N 3.5Å |
| 245 | R | 52 | Low | 51.8 | Low | 194 Ų | 194 | 117.6 Ų | 117.6 | 73% | 0.732 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71 | -43.3 | 172.3 | -166.6 | -176.9 | -126.2 | -99.5 | 5.3 | 111.4 | N243 E249 | N243-R245 PolarHBondContact O-N 3.13Å; R245-E249 IonicContact NH1-OE1 3.18Å; R245-E249 PolarHBondContact O-N 3.39Å |
| 246 | A | 54.2 | Low | 50.6 | Low | 41 Ų | 41 | 121.9 Ų | 121.9 | 34% | 0.339 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.5 | -38.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | N243 M248 E249 E250 | N243-A246 PolarHBondContact O-N 3.38Å; N243-A246 WeakPolarHBondContact OD1-CB 3.3Å; A246-M248 PolarHBondContact O-N 2.97Å; A246-E249 PolarHBondContact O-N 3.2Å; A246-E250 PolarHBondContact O-N 3.31Å; A246-E250 VanDerWaalsContact O-N 3.1Å |
| 247 | F | 47.9 | Very low | 50.3 | Low | 132 Ų | 132 | 122.2 Ų | 122.2 | 58% | 0.579 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.3 | -32.3 | -179.4 | -156.1 | -101.6 | 0 | 0 | 0 | 113.4 | N243 I251 | N243-F247 PolarHBondContact O-N 3.29Å; F247-I251 HydrophobicContact CD1-CD1 3.59Å; F247-I251 HydrophobicContact CE1-CD1 3.4Å; F247-I251 HydrophobicContact CE1-CG1 4.43Å; F247-I251 HydrophobicContact CZ-CD1 4.22Å; F247-I251 WeakPolarHBondContact O-CG1 3.37Å; F247-I251 PolarHBondContact O-N 2.87Å |
| 248 | M | 53.3 | Low | 49.6 | Very low | 142 Ų | 142 | 123.8 Ų | 123.8 | 70% | 0.7 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -77.2 | -27.2 | 174.6 | -80.3 | -145.4 | -70.9 | 0 | 0 | 113.4 | C244 A246 F252 | C244-M248 PolarHBondContact O-N 3.5Å; A246-M248 PolarHBondContact O-N 2.97Å; M248-F252 PolarHBondContact O-N 2.88Å |
| 249 | E | 54.2 | Low | 49 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 55% | 0.551 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.1 | -42.1 | 173 | -84.6 | 169.7 | 174.6 | 0 | 0 | 111.6 | R245 A246 I251 F252 E253 | R245-E249 IonicContact NH1-OE1 3.18Å; R245-E249 PolarHBondContact O-N 3.39Å; A246-E249 PolarHBondContact O-N 3.2Å; E249-I251 PolarHBondContact O-N 2.87Å; E249-F252 PolarHBondContact O-N 3.05Å; E249-E253 PolarHBondContact O-N 3Å; E249-E253 VanDerWaalsContact O-N 3.07Å |
| 250 | E | 49.5 | Very low | 48.5 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 63% | 0.626 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -62.9 | -38.9 | 175.3 | -83.8 | -176.4 | 150 | 0 | 0 | 113.3 | A246 E253 A254 | A246-E250 PolarHBondContact O-N 3.31Å; A246-E250 VanDerWaalsContact O-N 3.1Å; E250-E253 PolarHBondContact O-N 2.72Å; E250-A254 PolarHBondContact O-N 3.11Å |
| 251 | I | 55.4 | Low | 47.6 | Very low | 91 Ų | 91 | 127 Ų | 127 | 47% | 0.467 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -71.3 | -32.5 | 178.4 | -71.4 | 172.4 | 0 | 0 | 0 | 111.9 | F247 E249 | F247-I251 HydrophobicContact CD1-CD1 3.59Å; F247-I251 HydrophobicContact CE1-CD1 3.4Å; F247-I251 HydrophobicContact CE1-CG1 4.43Å; F247-I251 HydrophobicContact CZ-CD1 4.22Å; F247-I251 WeakPolarHBondContact O-CG1 3.37Å; F247-I251 PolarHBondContact O-N 2.87Å; E249-I251 PolarHBondContact O-N 2.87Å |
| 252 | F | 46.7 | Very low | 46.7 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 75% | 0.754 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.6 | -25.8 | 176.8 | -122 | -89.4 | 0 | 0 | 0 | 112.7 | M248 E249 | M248-F252 PolarHBondContact O-N 2.88Å; E249-F252 PolarHBondContact O-N 3.05Å |
| 253 | E | 49.8 | Very low | 45.8 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -78.2 | -28.8 | 176 | -168.2 | 150.8 | -143.4 | 0 | 0 | 112.7 | E249 E250 V255 R256 | E249-E253 PolarHBondContact O-N 3Å; E249-E253 VanDerWaalsContact O-N 3.07Å; E250-E253 PolarHBondContact O-N 2.72Å; E253-V255 VanDerWaalsContact C-N 3.27Å; E253-V255 PolarHBondContact O-N 3.1Å; E253-R256 IonicContact OE1-NH1 2.67Å |
| 254 | A | 50.5 | Low | 44.8 | Very low | 87 Ų | 87 | 129.5 Ų | 129.5 | 72% | 0.719 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -5.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E250 | E250-A254 PolarHBondContact O-N 3.11Š|
| 255 | V | 42.9 | Very low | 43.8 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 62% | 0.618 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | 32.1 | 179.3 | -173.1 | 0 | 0 | 0 | 0 | 111 | E253 V257 | E253-V255 VanDerWaalsContact C-N 3.27Å; E253-V255 PolarHBondContact O-N 3.1Å; V255-V257 VanDerWaalsContact C-N 3.28Å; V255-V257 PolarHBondContact O-N 2.68Å; V255-V257 VanDerWaalsContact O-N 3.1Å |
| 256 | R | 38.6 | Very low | 42.8 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | trans | -76.6 | 91.9 | 154.4 | -72.5 | -156 | -178.5 | 95.4 | -0 | 108.1 | E253 D258 | E253-R256 IonicContact OE1-NH1 2.67Å; R256-D258 PolarHBondContact O-N 3.4Å | ||
| 257 | V | 43.5 | Very low | 41.6 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 74% | 0.739 | 72% | 0.718 | S | S | * | * | trans | -62.4 | 117.9 | 159.8 | 175.5 | 0 | 0 | 0 | 0 | 106.4 | V255 D259 | V255-V257 VanDerWaalsContact C-N 3.28Å; V255-V257 PolarHBondContact O-N 2.68Å; V255-V257 VanDerWaalsContact O-N 3.1Å; V257-D259 PolarHBondContact O-N 3.42Å | ||
| 258 | D | 37.9 | Very low | 40.7 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | trans | -50.2 | 120.3 | 163.4 | -83.7 | -69.3 | 0 | 0 | 0 | 109 | R256 | R256-D258 PolarHBondContact O-N 3.4Š| ||
| 259 | D | 35 | Very low | 39.6 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | -105.6 | 122 | 160.5 | -145.5 | 6.4 | 0 | 0 | 0 | 106.1 | V257 | V257-D259 PolarHBondContact O-N 3.42Š| ||
| 260 | P | 43.8 | Very low | 38.3 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 62% | 0.623 | 74% | 0.737 | S | S | * | * | trans | -80.6 | 156.9 | 178.6 | 34 | -30.4 | 0 | 0 | 0 | 109.8 | ||||
| 261 | D | 32.2 | Very low | 37.2 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | trans | 105.8 | 83.8 | 168.5 | -51.1 | -29.7 | 0 | 0 | 0 | 115.5 | ||||
| 262 | E | 33.8 | Very low | 35.9 | Very low | 200 Ų | 200 | 141.5 Ų | 141.5 | 94% | 0.935 | 76% | 0.761 | S | S | * | * | -164.4 | 136.6 | 116.4 | -111.1 | -171.9 | 170.2 | 0 | 0 | 112.1 | |||||
| 263 | V | 36.6 | Very low | 34.8 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -80.9 | 136.8 | -179.8 | 164.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 264 | G | 32.2 | Very low | 33.6 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | 174.5 | 106.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 265 | E | 30.6 | Very low | 32.6 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -1.5 | 141 | 164.1 | -66 | -163 | 144.9 | 0 | 0 | 125.4 | ||||
| 266 | E | 30.6 | Very low | 32 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | 67.5 | 114.4 | 132.7 | -74.4 | -151.2 | 131.1 | 0 | 0 | 125.2 | ||||
| 267 | V | 29 | Very low | 31.5 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 64% | 0.642 | 79% | 0.789 | S | S | * | * | 75.8 | 127.6 | 116 | -179.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 268 | K | 28.5 | Very low | 30.8 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 74.1 | 133.7 | 159.2 | -88.5 | 169.8 | 176.2 | 175.5 | 0 | 116.5 | ||||
| 269 | Q | 29.5 | Very low | 30.5 | Very low | 167 Ų | 167 | 135 Ų | 135 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | cis | -163.3 | 140.8 | 43.9 | -157.5 | 148.8 | -8.4 | 0 | 0 | 112.5 | ||||
| 270 | T | 27.7 | Very low | 30.2 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | trans | 2 | 139.6 | 146.6 | -15.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 271 | Q | 27.5 | Very low | 29.9 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | -178.3 | 151 | 50.8 | -166.8 | 146.7 | -18.8 | 0 | 0 | 111.7 | |||||
| 272 | A | 26.2 | Very low | 29.8 | Very low | 89 Ų | 89 | 139.3 Ų | 139.3 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -86.2 | 162.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 273 | C | 25 | Very low | 29.5 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -175.8 | 104.1 | 130.3 | -105.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 274 | S | 24.8 | Very low | 29.7 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | 54.6 | 120.3 | 87.8 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 275 | A | 29.1 | Very low | 29.5 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | -159.5 | 151.1 | 61.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 276 | Q | 29.9 | Very low | 29.5 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -78.8 | 160.6 | 175.9 | -63.5 | 120.8 | -25.1 | 0 | 0 | 113.7 | ||||
| 277 | A | 27.6 | Very low | 29.3 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | 168.5 | 110.8 | 124.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 278 | A | 29 | Very low | 29.3 | Very low | 86 Ų | 86 | 142.7 Ų | 142.7 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | 81.6 | 85.6 | 93.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 279 | I | 31.2 | Very low | 29.3 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | 63 | 113.3 | 101.7 | -42.8 | 151 | 0 | 0 | 0 | 115.9 | |||||
| 280 | Y | 28.9 | Very low | 29.3 | Very low | 211 Ų | 211 | 137.1 Ų | 137.1 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | 162.3 | 151.8 | 112.7 | -88.8 | -69.6 | 0 | 0 | 0 | 112.1 | |||||
| 281 | P | 37.5 | Very low | 29.6 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -101.8 | 156.7 | -162.6 | 39.6 | -33.2 | 0 | 0 | 0 | 113.9 | ||||
| 282 | I | 30.8 | Very low | 30.7 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -136.3 | 129.8 | 170.6 | -61.1 | 179 | 0 | 0 | 0 | 110.9 | ||||
| 283 | N | 28.1 | Very low | 31 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | -72.8 | 146.4 | 175.2 | -165.1 | 38 | 0 | 0 | 0 | 111.6 | ||||
| 284 | P | 40.4 | Very low | 31.4 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | -103 | 126.2 | 178.9 | 34.7 | -25.1 | 0 | 0 | 0 | 113 | ||||
| 285 | E | 27.7 | Very low | 31.7 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -129.1 | 124.6 | 159.5 | -88.4 | -161.3 | 155.9 | 0 | 0 | 111.4 | ||||
| 286 | I | 30.1 | Very low | 32.1 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | trans | 82.9 | 115.3 | 132.8 | -64.6 | 171.4 | 0 | 0 | 0 | 121.3 | ||||
| 287 | K | 27.4 | Very low | 32.7 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | trans | 62.4 | 120.5 | 137.7 | -76 | 177.8 | -178.4 | 173.1 | 0 | 123.9 | ||||
| 288 | R | 28 | Very low | 33 | Very low | 216 Ų | 216 | 138.8 Ų | 138.8 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | 78.9 | 124.2 | 109.5 | -153.2 | -179.1 | -155.5 | 111.2 | -1.3 | 121.5 | |||||
| 289 | S | 29.5 | Very low | 33.2 | Very low | 90 Ų | 90 | 138 Ų | 138 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | 66.4 | 150.6 | 149.7 | 77.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 290 | D | 28.5 | Very low | 33.2 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | cis | -153.3 | 161.9 | 26.8 | -88.8 | -63.8 | 0 | 0 | 0 | 113.1 | ||||
| 291 | S | 34.4 | Very low | 33.4 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -63 | -175.3 | 170.2 | 43.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 292 | P | 51 | Low | 33.2 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | cis | -148 | 173.3 | 31.1 | 40.3 | -15.6 | 0 | 0 | 0 | 117.9 | ||||
| 293 | S | 32.6 | Very low | 33.4 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | 178.1 | 143.2 | 91.7 | -61.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 294 | G | 32.6 | Very low | 33.7 | Very low | 82 Ų | 82 | 136.9 Ų | 136.9 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 90.5 | 136.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 295 | D | 31.3 | Very low | 33.4 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | cis | 174.8 | 129.1 | -29.7 | 179 | 21.7 | 0 | 0 | 0 | 103.6 | ||||
| 296 | S | 37.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 162.7 | 108.3 | 152.2 | -75.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 297 | D | 41.8 | Very low | 34 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -85.7 | 143.5 | 167.8 | -71 | -42.7 | 0 | 0 | 0 | 111.5 | ||||
| 298 | D | 34.8 | Very low | 34.5 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | 155.2 | 140.9 | 107.1 | -159.5 | 13.8 | 0 | 0 | 0 | 112.2 | |||||
| 299 | G | 33 | Very low | 34.8 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | 134.1 | 84.6 | 170 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 300 | S | 31.4 | Very low | 35 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | trans | -59.1 | 148.4 | 175.2 | 67.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 301 | M | 33.8 | Very low | 35.2 | Very low | 171 Ų | 171 | 135 Ų | 135 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | -167.7 | 140.5 | 122.8 | -93.9 | -59 | 101.1 | 0 | 0 | 110.4 | |||||
| 302 | N | 32.2 | Very low | 35.2 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 67% | 0.668 | 80% | 0.8 | S | S | * | * | trans | -81.6 | 122.4 | -173.4 | 177.7 | 44 | 0 | 0 | 0 | 110.8 | ||||
| 303 | E | 35.4 | Very low | 34.4 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -136.8 | 117.9 | 159.5 | -78.2 | -148.7 | 121.5 | 0 | 0 | 111.2 | G305 | E303-G305 PolarHBondContact O-N 3.15Š| ||
| 304 | Q | 34.7 | Very low | 34.7 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -72.8 | 116.8 | 172.7 | -75.9 | 144.5 | -30.9 | 0 | 0 | 109 | Q306 | Q304-Q306 PolarHBondContact O-N 3.49Å; Q304-Q306 VanDerWaalsContact O-N 3.15Å | ||
| 305 | G | 33.1 | Very low | 34.7 | Very low | 83 Ų | 83 | 141.8 Ų | 141.8 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -66.3 | 109.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | E303 | E303-G305 PolarHBondContact O-N 3.15Š| ||
| 306 | Q | 36.8 | Very low | 35 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -65.5 | 126.5 | 176.6 | -91.4 | 153.1 | -41.4 | 0 | 0 | 112.3 | Q304 I308 | Q304-Q306 PolarHBondContact O-N 3.49Å; Q304-Q306 VanDerWaalsContact O-N 3.15Å; Q306-I308 PolarHBondContact O-N 3.08Å | ||
| 307 | E | 34.5 | Very low | 34.8 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -68.8 | 117.1 | 167.2 | -173.4 | 176.1 | -177.9 | 0 | 0 | 109.6 | A309 | E307-A309 PolarHBondContact O-N 3.08Š| ||
| 308 | I | 37.9 | Very low | 34.5 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -84.3 | 98.3 | 176.7 | -58.6 | 170.6 | 0 | 0 | 0 | 108.2 | Q306 V310 | Q306-I308 PolarHBondContact O-N 3.08Å; I308-V310 HydrophobicContact CG2-CG2 4.33Å | ||
| 309 | A | 34.2 | Very low | 34.6 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -82 | 111.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E307 Q311 | E307-A309 PolarHBondContact O-N 3.08Å; A309-Q311 PolarHBondContact O-N 2.82Å | ||
| 310 | V | 33.2 | Very low | 34.7 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -81.2 | 108.7 | 173.1 | 178.7 | 0 | 0 | 0 | 0 | 109 | I308 V312 | I308-V310 HydrophobicContact CG2-CG2 4.33Å; V310-V312 HydrophobicContact CG1-CG2 4.19Å | ||
| 311 | Q | 32.4 | Very low | 34.8 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -92.9 | 115.7 | 173.2 | -168.1 | 172.2 | 29.4 | 0 | 0 | 109.6 | A309 | A309-Q311 PolarHBondContact O-N 2.82Š| ||
| 312 | V | 34.5 | Very low | 34.6 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -97.9 | 106.9 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | V310 | V310-V312 HydrophobicContact CG1-CG2 4.19Š| ||
| 313 | S | 33.9 | Very low | 34.7 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -90 | 123.5 | 170.9 | -66 | 0 | 0 | 0 | 0 | 109.7 | ||
| 314 | I | 39.2 | Very low | 34.5 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 121.3 | 173.5 | -58.5 | 171.9 | 0 | 0 | 0 | 108.1 | ||
| 315 | H | 33.2 | Very low | 34.3 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 128.7 | 173.1 | -141 | 34.5 | 0 | 0 | 0 | 109.3 | ||
| 316 | P | 37.2 | Very low | 34.3 | Very low | 112 Ų | 112 | 147 Ų | 147 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 127.9 | 170.8 | -9.6 | 25 | 0 | 0 | 0 | 109.5 | S318 | P316-S318 PolarHBondContact O-N 3.48Š|
| 317 | Q | 32.8 | Very low | 34 | Very low | 202 Ų | 202 | 144.1 Ų | 144.1 | 94% | 0.944 | 81% | 0.805 | S | S | * | * | trans | -71.7 | 112.9 | -177.2 | -153 | 178.5 | 23.1 | 0 | 0 | 110.2 | ||||
| 318 | S | 35.8 | Very low | 33.9 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -65.3 | 135.3 | 169.8 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | P316 | P316-S318 PolarHBondContact O-N 3.48Š| ||
| 319 | E | 36.8 | Very low | 33.4 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -25 | 128.9 | 155.6 | -124 | 165.3 | 173 | 0 | 0 | 113.8 | ||||
| 320 | V | 35.3 | Very low | 33.3 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -119.7 | 117.2 | 164 | 175.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 321 | Q | 34.7 | Very low | 33.1 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -90.5 | 130.9 | 173.7 | -162.1 | 174.8 | 48.7 | 0 | 0 | 108.5 | ||||
| 322 | S | 29.6 | Very low | 33 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -145.2 | 97.1 | 164.2 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 323 | I | 32.9 | Very low | 32.7 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | 35.9 | 114.2 | 133.7 | -55.2 | 173.6 | 0 | 0 | 0 | 119.7 | ||||
| 324 | D | 31.9 | Very low | 32.7 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | 14.4 | 131.7 | 143.8 | -63 | -35.3 | 0 | 0 | 0 | 122.5 | ||||
| 325 | T | 30.5 | Very low | 33.1 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | trans | -148.9 | 132.3 | 132.4 | -35.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 326 | V | 32.4 | Very low | 33 | Very low | 123 Ų | 123 | 142 Ų | 142 | 75% | 0.745 | 81% | 0.806 | S | S | * | * | trans | -62.4 | 139.3 | -178.2 | 169.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 327 | S | 30.2 | Very low | 33.1 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -152.1 | 130.3 | 138.4 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 328 | H | 33.2 | Very low | 33.4 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -79.1 | 140.4 | -179.3 | -105.6 | -101.3 | 0 | 0 | 0 | 111.9 | ||||
| 329 | D | 28.6 | Very low | 33.3 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | 157.1 | 139.2 | 139.2 | -100.9 | -23.5 | 0 | 0 | 0 | 108.3 | ||||
| 330 | S | 30.6 | Very low | 33.3 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 66% | 0.657 | 81% | 0.813 | S | S | * | * | cis | -172 | 155.4 | -10.7 | -114.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 331 | C | 29 | Very low | 33.5 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | trans | 84.3 | 104.3 | 158.4 | -59.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 332 | Q | 30.3 | Very low | 33.5 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -56.9 | 143.9 | 146.4 | -72.4 | 165.2 | -30.8 | 0 | 0 | 111.7 | ||||
| 333 | F | 28.6 | Very low | 33.7 | Very low | 213 Ų | 213 | 144.1 Ų | 144.1 | 93% | 0.934 | 84% | 0.84 | S | S | * | * | -166 | 122.5 | 129.7 | -103.2 | -74.6 | 0 | 0 | 0 | 109.8 | |||||
| 334 | A | 33.3 | Very low | 33.7 | Very low | 86 Ų | 86 | 143.4 Ų | 143.4 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | trans | -131.1 | 175.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 335 | P | 47.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 74% | 0.74 | 85% | 0.845 | S | S | * | * | cis | -134.7 | -177.3 | -11.3 | 37.3 | -18.5 | 0 | 0 | 0 | 112.5 | ||||
| 336 | S | 32.1 | Very low | 34 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 84% | 0.841 | S | S | * | * | trans | -170.6 | 115.1 | 148.9 | -66.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 337 | E | 39.3 | Very low | 34.1 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 85% | 0.85 | 85% | 0.848 | S | S | * | * | 47.7 | 127 | 81.3 | -72.4 | -159.5 | 155.5 | 0 | 0 | 111.7 | |||||
| 338 | E | 37.9 | Very low | 34.4 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 89% | 0.893 | 85% | 0.848 | S | S | * | * | cis | -150.5 | 161.1 | 18.6 | -88.1 | 163.7 | 125.1 | 0 | 0 | 106.6 | ||||
| 339 | G | 33.6 | Very low | 34.5 | Very low | 75 Ų | 75 | 143.5 Ų | 143.5 | 77% | 0.773 | 85% | 0.851 | S | S | * | * | 145.1 | 148.2 | 82 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 340 | T | 38.4 | Very low | 35 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 87% | 0.865 | 86% | 0.855 | S | S | * | * | trans | -58.9 | 131.2 | -174 | -31.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 341 | C | 38.9 | Very low | 35.4 | Very low | 201 Ų | 201 | 147.4 Ų | 147.4 | 100% | 1.358 | 87% | 0.873 | S | S | * | * | trans | 165 | 0 | 130 | -85.1 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 341 of 341 residues in 122.2 ms
(Link to these results)