| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.9 | Very low | 40.8 | Very low | 242 Ų | 242 | 137.7 Ų | 137.7 | 100% | 1.192 | 81% | 0.812 | S | S | * | * | 0 | 102.9 | 0 | -77.2 | 167.5 | 162.5 | 0 | 0 | 105.1 | |||||
| 2 | A | 41.7 | Very low | 41.3 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | 82.1 | 88.7 | 94.1 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 3 | D | 37.6 | Very low | 41.2 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | 83.6 | 123 | 65.7 | -160.4 | -25.4 | 0 | 0 | 0 | 111.5 | |||||
| 4 | S | 48.5 | Very low | 40.6 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | 157 | 80.3 | -178.8 | -71.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 5 | E | 47.3 | Very low | 40.6 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | 65.2 | 105.2 | 88.6 | -63.4 | -172.5 | 120.4 | 0 | 0 | 112.5 | |||||
| 6 | E | 43.2 | Very low | 40.3 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | 72.6 | 91.3 | 62.5 | -71.7 | -91.2 | 119.3 | 0 | 0 | 114.8 | |||||
| 7 | V | 41.6 | Very low | 40 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -150.4 | 98.8 | 145.3 | -176.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 8 | S | 34.5 | Very low | 40 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | 66.8 | 98.3 | 56.2 | -161 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 9 | S | 34.5 | Very low | 40.3 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | 170.4 | 128 | 116.7 | -167 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 10 | S | 38.7 | Very low | 39.8 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | 47.6 | 106.7 | 145.4 | -64.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 11 | T | 41.1 | Very low | 40 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | -61 | 153 | 123.5 | -0.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 12 | P | 46.6 | Very low | 40 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | -150.9 | 168.5 | 63.2 | 41 | -20.8 | 0 | 0 | 0 | 118.3 | |||||
| 13 | L | 40.5 | Very low | 40.4 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | 18.5 | 129.6 | 144.6 | -71.1 | 151.9 | 0 | 0 | 0 | 120.4 | ||||
| 14 | F | 32.8 | Very low | 40.5 | Very low | 207 Ų | 207 | 142.6 Ų | 142.6 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | -162.6 | 157.4 | 107.8 | -125.2 | -96.4 | 0 | 0 | 0 | 112.5 | |||||
| 15 | S | 41.2 | Very low | 40.3 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -79.6 | 177.5 | 176.6 | -65.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 16 | E | 35.1 | Very low | 40 | Very low | 194 Ų | 194 | 144 Ų | 144 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | 87.5 | 123.5 | 162.3 | -124.4 | 86.1 | 106.8 | 0 | 0 | 117.6 | ||||
| 17 | G | 35.2 | Very low | 40.2 | Very low | 75 Ų | 75 | 144.2 Ų | 144.2 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 144.9 | 111.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 18 | H | 40.4 | Very low | 40.3 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -79 | 161.4 | -177.5 | -68.4 | -103.1 | 0 | 0 | 0 | 115 | ||||
| 19 | H | 44.6 | Very low | 40.5 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | 69 | 118.9 | 162.6 | -64.5 | -70.9 | 0 | 0 | 0 | 117.1 | ||||
| 20 | Y | 30.8 | Very low | 40.8 | Very low | 207 Ų | 207 | 150.7 Ų | 150.7 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | -158.5 | 174.2 | 67.8 | -131.3 | -98.5 | 0 | 0 | 0 | 114 | |||||
| 21 | Q | 43.7 | Very low | 40.9 | Very low | 165 Ų | 165 | 152.1 Ų | 152.1 | 77% | 0.771 | 80% | 0.802 | S | S | * | * | trans | -45 | 166 | 170.8 | -105.4 | 133.6 | -79.1 | 0 | 0 | 116 | ||||
| 22 | P | 40 | Very low | 40.9 | Very low | 111 Ų | 111 | 151.6 Ų | 151.6 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | cis | -132.3 | -178.9 | 21.8 | 40.9 | -23.3 | 0 | 0 | 0 | 116.4 | P24 | P22-P24 WeakPolarHBondContact O-CD 3.43Š| ||
| 23 | E | 50.3 | Low | 40.6 | Very low | 194 Ų | 194 | 149.3 Ų | 149.3 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | -85.7 | 127.9 | 170 | -156.9 | 175.6 | 128.5 | 0 | 0 | 109.9 | ||||
| 24 | P | 40.4 | Very low | 41 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | trans | -125.4 | 121.1 | 160.2 | 33.3 | -18.5 | 0 | 0 | 0 | 112.2 | P22 | P22-P24 WeakPolarHBondContact O-CD 3.43Š| ||
| 25 | E | 43.3 | Very low | 41.2 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 46.2 | 116.6 | 144.4 | -54.2 | -167.3 | 122 | 0 | 0 | 120.2 | E27 | E25-E27 PolarHBondContact O-N 2.86Š| ||
| 26 | P | 42.2 | Very low | 41.4 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -76.5 | 114.4 | 160.6 | 31 | -30.3 | 0 | 0 | 0 | 110.9 | ||||
| 27 | E | 46.3 | Very low | 42.1 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -71.5 | 178.1 | 165.5 | -46.9 | -165.5 | 104.8 | 0 | 0 | 111.8 | E25 | E25-E27 PolarHBondContact O-N 2.86Š| ||
| 28 | P | 44.3 | Very low | 42.7 | Very low | 114 Ų | 114 | 150.1 Ų | 150.1 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | -110.7 | 132.1 | -107.1 | 17.7 | 4.7 | 0 | 0 | 0 | 111.5 | L30 | P28-L30 PolarHBondContact O-N 3.48Š| |||
| 29 | Q | 39.1 | Very low | 43.2 | Very low | 203 Ų | 203 | 150.7 Ų | 150.7 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 129 | 170.5 | -69.6 | -158.9 | 36.3 | 0 | 0 | 111 | ||
| 30 | L | 41.2 | Very low | 43.8 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 126.2 | -164 | -167.6 | 69.1 | 0 | 0 | 0 | 112.1 | P28 P32 | P28-L30 PolarHBondContact O-N 3.48Å; L30-P32 WeakPolarHBondContact O-CD 3.34Å |
| 31 | D | 39.3 | Very low | 45 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 122.7 | 177.5 | -167.2 | -23 | 0 | 0 | 0 | 113.5 | G33 | D31-G33 PolarHBondContact OD1-N 3.34Š|
| 32 | P | 42.4 | Very low | 45.7 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -94.2 | 85 | 161.9 | 35 | -27.2 | 0 | 0 | 0 | 110.4 | L30 | L30-P32 WeakPolarHBondContact O-CD 3.34Š| ||
| 33 | G | 39.3 | Very low | 46.7 | Very low | 58 Ų | 58 | 138.4 Ų | 138.4 | 60% | 0.598 | 76% | 0.762 | S | S | * | * | trans | -65.9 | 178.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113.8 | D31 | D31-G33 PolarHBondContact OD1-N 3.34Š| ||
| 34 | P | 49.4 | Very low | 47.1 | Very low | 139 Ų | 139 | 134 Ų | 134 | 90% | 0.903 | 74% | 0.743 | S | S | * | * | -110.8 | 144.9 | -84.8 | 34.6 | -34.1 | 0 | 0 | 0 | 112.8 | |||||
| 35 | G | 37.5 | Very low | 48.2 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | -162.1 | 94.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 36 | Q | 44 | Very low | 49.4 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | 49.3 | 66.6 | 152.1 | -59.3 | -178.5 | 2.5 | 0 | 0 | 118.4 | L38 | Q36-L38 PolarHBondContact O-N 3.02Š| ||
| 37 | E | 49.4 | Very low | 50.6 | Low | 201 Ų | 201 | 132.2 Ų | 132.2 | 94% | 0.939 | 73% | 0.729 | S | S | * | * | trans | -74.7 | 84.7 | 146.2 | -75.5 | -97 | 101.8 | 0 | 0 | 107.5 | ||||
| 38 | L | 48.9 | Very low | 51.4 | Low | 148 Ų | 148 | 127.5 Ų | 127.5 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | trans | -76.4 | 121.5 | 179.2 | -168 | 77.9 | 0 | 0 | 0 | 108.6 | Q36 N40 | Q36-L38 PolarHBondContact O-N 3.02Å; L38-N40 PolarHBondContact O-N 3.01Å; L38-N40 VanDerWaalsContact O-N 3.08Å | ||
| 39 | F | 49.8 | Very low | 52.9 | Low | 185 Ų | 185 | 123.7 Ų | 123.7 | 81% | 0.811 | 69% | 0.694 | S | S | * | * | trans | -32.4 | 112.5 | 177.2 | -78.6 | -96.6 | 0 | 0 | 0 | 112.8 | ||||
| 40 | N | 58.3 | Low | 54.7 | Low | 92 Ų | 92 | 116 Ų | 116 | 49% | 0.492 | 67% | 0.669 | S | S | . | * | trans | -77.4 | 122.5 | -179.5 | -149.3 | 1 | 0 | 0 | 0 | 108.3 | L38 D42 D43 | L38-N40 PolarHBondContact O-N 3.01Å; L38-N40 VanDerWaalsContact O-N 3.08Å; N40-D42 PolarHBondContact O-N 3.32Å; N40-D42 VanDerWaalsContact O-N 3.16Å; N40-D43 WeakPolarHBondContact CB-OD2 3.07Å; N40-D43 PolarHBondContact O-N 2.9Å | ||
| 41 | P | 56.6 | Low | 56.1 | Low | 84 Ų | 84 | 111 Ų | 111 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -63.4 | -24 | -173.2 | 23 | -33.9 | 0 | 0 | 0 | 113.4 | D43 I44 V45 | P41-D43 VanDerWaalsContact C-N 3.35Å; P41-D43 PolarHBondContact O-N 3.49Å; P41-I44 PolarHBondContact O-N 3.32Å; P41-V45 PolarHBondContact O-N 2.92Å |
| 42 | D | 57.3 | Low | 57.5 | Low | 110 Ų | 110 | 110.7 Ų | 110.7 | 59% | 0.588 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.9 | -33.7 | 178.7 | -63.4 | -49.6 | 0 | 0 | 0 | 112.7 | N40 I44 V45 D46 | N40-D42 PolarHBondContact O-N 3.32Å; N40-D42 VanDerWaalsContact O-N 3.16Å; D42-I44 PolarHBondContact O-N 3.33Å; D42-V45 PolarHBondContact O-N 3.34Å; D42-V45 VanDerWaalsContact O-N 3.09Å; D42-D46 PolarHBondContact O-N 2.87Å |
| 43 | D | 60.9 | Low | 59.1 | Low | 112 Ų | 112 | 108.5 Ų | 108.5 | 60% | 0.599 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.2 | -29.4 | 176.7 | -62.9 | -44.2 | 0 | 0 | 0 | 112.2 | N40 P41 L47 | N40-D43 WeakPolarHBondContact CB-OD2 3.07Å; N40-D43 PolarHBondContact O-N 2.9Å; P41-D43 VanDerWaalsContact C-N 3.35Å; P41-D43 PolarHBondContact O-N 3.49Å; D43-L47 WeakPolarHBondContact O-CB 3.29Å; D43-L47 PolarHBondContact O-N 3.01Å |
| 44 | I | 59.8 | Low | 60.8 | Low | 100 Ų | 100 | 108 Ų | 108 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -77 | -36.8 | 177 | -56.7 | 176.3 | 0 | 0 | 0 | 110.2 | P41 D42 V48 | P41-I44 PolarHBondContact O-N 3.32Å; D42-I44 PolarHBondContact O-N 3.33Å; I44-V48 VanDerWaalsContact O-CG2 3.29Å; I44-V48 WeakPolarHBondContact O-CG2 3.48Å; I44-V48 PolarHBondContact O-N 3.26Å; I44-V48 VanDerWaalsContact O-N 3.1Å |
| 45 | V | 62.9 | Low | 61.7 | Low | 99 Ų | 99 | 106.8 Ų | 106.8 | 60% | 0.6 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.2 | -41.9 | 179 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | P41 D42 V48 G49 | P41-V45 PolarHBondContact O-N 2.92Å; D42-V45 PolarHBondContact O-N 3.34Å; D42-V45 VanDerWaalsContact O-N 3.09Å; V45-V48 PolarHBondContact O-N 2.89Å; V45-G49 PolarHBondContact O-N 3.15Å |
| 46 | D | 68.9 | Low | 63.3 | Low | 136 Ų | 136 | 109.8 Ų | 109.8 | 73% | 0.727 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66 | -39.9 | 178.7 | -131.4 | 24.3 | 0 | 0 | 0 | 111.6 | D42 G49 G50 | D42-D46 PolarHBondContact O-N 2.87Å; D46-G49 PolarHBondContact O-N 3.14Å; D46-G50 PolarHBondContact O-N 3.23Å |
| 47 | L | 66.8 | Low | 64.6 | Low | 139 Ų | 139 | 107.5 Ų | 107.5 | 73% | 0.728 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.4 | -38 | 177.1 | -164.6 | 70.2 | 0 | 0 | 0 | 112.7 | D43 A51 | D43-L47 WeakPolarHBondContact O-CB 3.29Å; D43-L47 PolarHBondContact O-N 3.01Å; L47-A51 WeakPolarHBondContact O-CB 3.45Å; L47-A51 PolarHBondContact O-N 3.19Å |
| 48 | V | 63.4 | Low | 65.3 | Low | 79 Ų | 79 | 104.7 Ų | 104.7 | 48% | 0.479 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.3 | -38.7 | 174.7 | 171 | 0 | 0 | 0 | 0 | 111.2 | I44 V45 A51 Q52 | I44-V48 VanDerWaalsContact O-CG2 3.29Å; I44-V48 WeakPolarHBondContact O-CG2 3.48Å; I44-V48 PolarHBondContact O-N 3.26Å; I44-V48 VanDerWaalsContact O-N 3.1Å; V45-V48 PolarHBondContact O-N 2.89Å; V48-A51 PolarHBondContact O-N 2.98Å; V48-Q52 PolarHBondContact O-N 3.21Å |
| 49 | G | 74.7 | Confident | 66.3 | Low | 34 Ų | 34 | 105.2 Ų | 105.2 | 35% | 0.351 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.3 | -51.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | V45 D46 A51 Q52 D53 | V45-G49 PolarHBondContact O-N 3.15Å; D46-G49 PolarHBondContact O-N 3.14Å; G49-A51 VanDerWaalsContact C-N 3.3Å; G49-A51 PolarHBondContact O-N 3.07Å; G49-Q52 PolarHBondContact O-N 2.89Å; G49-D53 VanDerWaalsContact O-CB 3.28Å; G49-D53 WeakPolarHBondContact O-CB 3.35Å; G49-D53 PolarHBondContact O-N 3Å |
| 50 | G | 77.5 | Confident | 66.9 | Low | 42 Ų | 42 | 99.3 Ų | 99.3 | 43% | 0.433 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.7 | -35.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | D46 A54 | D46-G50 PolarHBondContact O-N 3.23Å; G50-A54 WeakPolarHBondContact O-CB 2.95Å; G50-A54 PolarHBondContact O-N 2.94Å |
| 51 | A | 71.9 | Confident | 66.9 | Low | 64 Ų | 64 | 102 Ų | 102 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.5 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L47 V48 G49 L55 | L47-A51 WeakPolarHBondContact O-CB 3.45Å; L47-A51 PolarHBondContact O-N 3.19Å; V48-A51 PolarHBondContact O-N 2.98Å; G49-A51 VanDerWaalsContact C-N 3.3Å; G49-A51 PolarHBondContact O-N 3.07Å; A51-L55 PolarHBondContact O-N 3.42Å |
| 52 | Q | 68.3 | Low | 66.7 | Low | 128 Ų | 128 | 101 Ų | 101 | 60% | 0.598 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.7 | -45.1 | 175.1 | -74.1 | -174.9 | -33.1 | 0 | 0 | 111.7 | V48 G49 A54 L55 E56 | V48-Q52 PolarHBondContact O-N 3.21Å; G49-Q52 PolarHBondContact O-N 2.89Å; Q52-A54 VanDerWaalsContact C-N 3.29Å; Q52-A54 PolarHBondContact O-N 2.96Å; Q52-L55 WeakPolarHBondContact O-CB 3.35Å; Q52-L55 PolarHBondContact O-N 3.33Å; Q52-E56 PolarHBondContact O-N 2.88Å |
| 53 | D | 75.8 | Confident | 66.5 | Low | 77 Ų | 77 | 103.5 Ų | 103.5 | 41% | 0.412 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.4 | -32.3 | 177.7 | 172.1 | 61.8 | 0 | 0 | 0 | 112.4 | G49 R57 | G49-D53 VanDerWaalsContact O-CB 3.28Å; G49-D53 WeakPolarHBondContact O-CB 3.35Å; G49-D53 PolarHBondContact O-N 3Å; D53-R57 VanDerWaalsContact C-NH1 3.25Å; D53-R57 VanDerWaalsContact CG-NH2 3.27Å; D53-R57 WeakPolarHBondContact O-CG 3.33Å; D53-R57 PolarHBondContact O-N 3.5Å; D53-R57 PolarHBondContact O-NH1 2.83Å; D53-R57 IonicContact OD1-CZ 2.65Å; D53-R57 IonicContact OD1-NH1 3.27Å; D53-R57 PolarHBondContact OD1-NH1 2.7Å; D53-R57 IonicContact OD1-NH2 3.12Å; D53-R57 PolarHBondContact OD1-NH2 3.19Å; D53-R57 VanDerWaalsContact OD1-NH2 3.12Å; D53-R57 IonicContact OD2-CZ 2.65Å; D53-R57 IonicContact OD2-NH1 3.62Å; D53-R57 PolarHBondContact OD2-NH1 2.8Å; D53-R57 IonicContact OD2-NH2 2.69Å; D53-R57 PolarHBondContact OD2-NH2 2.79Å |
| 54 | A | 73.9 | Confident | 65.9 | Low | 47 Ų | 47 | 103.3 Ų | 103.3 | 39% | 0.388 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.6 | -38.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G50 Q52 H58 | G50-A54 WeakPolarHBondContact O-CB 2.95Å; G50-A54 PolarHBondContact O-N 2.94Å; Q52-A54 VanDerWaalsContact C-N 3.29Å; Q52-A54 PolarHBondContact O-N 2.96Å; A54-H58 PolarHBondContact O-N 2.78Å |
| 55 | L | 69.4 | Low | 64.7 | Low | 114 Ų | 114 | 101.8 Ų | 101.8 | 60% | 0.597 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.8 | -35.1 | -178.9 | -161.5 | 74.5 | 0 | 0 | 0 | 112.3 | A51 Q52 H58 R59 | A51-L55 PolarHBondContact O-N 3.42Å; Q52-L55 WeakPolarHBondContact O-CB 3.35Å; Q52-L55 PolarHBondContact O-N 3.33Å; L55-H58 PolarHBondContact O-N 2.9Å; L55-R59 PolarHBondContact O-N 3.44Å |
| 56 | E | 70.8 | Confident | 63.2 | Low | 132 Ų | 132 | 106 Ų | 106 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.7 | -34.6 | 177.7 | -71.2 | -166.4 | 162.2 | 0 | 0 | 112.8 | Q52 R59 A60 | Q52-E56 PolarHBondContact O-N 2.88Å; E56-R59 PolarHBondContact O-N 3.34Å; E56-A60 WeakPolarHBondContact O-CB 3.18Å; E56-A60 PolarHBondContact O-N 3.26Å |
| 57 | R | 71.9 | Confident | 61.7 | Low | 134 Ų | 134 | 108.4 Ų | 108.4 | 51% | 0.506 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -60.1 | -48.9 | 171.5 | -70.1 | -177 | -168.1 | 91.3 | -2.1 | 111.9 | D53 R59 A60 E61 | D53-R57 VanDerWaalsContact C-NH1 3.25Å; D53-R57 VanDerWaalsContact CG-NH2 3.27Å; D53-R57 WeakPolarHBondContact O-CG 3.33Å; D53-R57 PolarHBondContact O-N 3.5Å; D53-R57 PolarHBondContact O-NH1 2.83Å; D53-R57 IonicContact OD1-CZ 2.65Å; D53-R57 IonicContact OD1-NH1 3.27Å; D53-R57 PolarHBondContact OD1-NH1 2.7Å; D53-R57 IonicContact OD1-NH2 3.12Å; D53-R57 PolarHBondContact OD1-NH2 3.19Å; D53-R57 VanDerWaalsContact OD1-NH2 3.12Å; D53-R57 IonicContact OD2-CZ 2.65Å; D53-R57 IonicContact OD2-NH1 3.62Å; D53-R57 PolarHBondContact OD2-NH1 2.8Å; D53-R57 IonicContact OD2-NH2 2.69Å; D53-R57 PolarHBondContact OD2-NH2 2.79Å; R57-R59 VanDerWaalsContact C-N 3.27Å; R57-R59 PolarHBondContact O-N 2.9Å; R57-A60 PolarHBondContact O-N 2.68Å; R57-E61 WeakPolarHBondContact O-CG 3.43Å; R57-E61 PolarHBondContact O-N 3.23Å |
| 58 | H | 63.9 | Low | 60.5 | Low | 143 Ų | 143 | 109.1 Ų | 109.1 | 66% | 0.662 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.2 | -29.5 | 177.1 | -88.4 | -59.8 | 0 | 0 | 0 | 113.5 | A54 L55 G62 | A54-H58 PolarHBondContact O-N 2.78Å; L55-H58 PolarHBondContact O-N 2.9Å; H58-G62 PolarHBondContact O-N 2.81Å |
| 59 | R | 68.8 | Low | 59.2 | Low | 159 Ų | 159 | 110.9 Ų | 110.9 | 60% | 0.6 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.7 | -45.5 | 172 | 177.9 | 173.1 | -77.8 | 145.4 | -3.5 | 111.8 | L55 E56 R57 E61 G62 E63 | L55-R59 PolarHBondContact O-N 3.44Å; E56-R59 PolarHBondContact O-N 3.34Å; R57-R59 VanDerWaalsContact C-N 3.27Å; R57-R59 PolarHBondContact O-N 2.9Å; R59-E61 VanDerWaalsContact C-N 3.33Å; R59-E61 PolarHBondContact O-N 3.45Å; R59-G62 PolarHBondContact O-N 3.46Å; R59-G62 VanDerWaalsContact O-N 3.08Å; R59-E63 PolarHBondContact O-N 3.44Å |
| 60 | A | 63.1 | Low | 57.1 | Low | 61 Ų | 61 | 114.8 Ų | 114.8 | 50% | 0.504 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.2 | -35.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E56 R57 G62 | E56-A60 WeakPolarHBondContact O-CB 3.18Å; E56-A60 PolarHBondContact O-N 3.26Å; R57-A60 PolarHBondContact O-N 2.68Å; A60-G62 VanDerWaalsContact C-N 3.28Å; A60-G62 PolarHBondContact O-N 3.17Å |
| 61 | E | 59.3 | Low | 54.9 | Low | 147 Ų | 147 | 121.5 Ų | 121.5 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.5 | -25.8 | 173.2 | -71.2 | 178.4 | 172.3 | 0 | 0 | 112.9 | R57 R59 | R57-E61 WeakPolarHBondContact O-CG 3.43Å; R57-E61 PolarHBondContact O-N 3.23Å; R59-E61 VanDerWaalsContact C-N 3.33Å; R59-E61 PolarHBondContact O-N 3.45Å |
| 62 | G | 51.4 | Low | 53.4 | Low | 63 Ų | 63 | 124.1 Ų | 124.1 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -78.6 | -19 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H58 R59 A60 | H58-G62 PolarHBondContact O-N 2.81Å; R59-G62 PolarHBondContact O-N 3.46Å; R59-G62 VanDerWaalsContact O-N 3.08Å; A60-G62 VanDerWaalsContact C-N 3.28Å; A60-G62 PolarHBondContact O-N 3.17Å |
| 63 | E | 54.3 | Low | 52 | Low | 163 Ų | 163 | 125.8 Ų | 125.8 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 4.2 | -173.8 | -69.9 | -172.5 | 125.1 | 0 | 0 | 114.5 | R59 | R59-E63 PolarHBondContact O-N 3.44Š|
| 64 | S | 47 | Very low | 50.2 | Low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -126.3 | 52.4 | -172.6 | -58.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 65 | G | 34.8 | Very low | 48.3 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | trans | -143.8 | 32.4 | -156.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 66 | L | 32.4 | Very low | 46.4 | Very low | 187 Ų | 187 | 133 Ų | 133 | 98% | 0.979 | 72% | 0.721 | S | S | * | * | trans | 78.3 | 157.1 | 164.7 | -155.3 | 62.9 | 0 | 0 | 0 | 118.2 | ||||
| 67 | Q | 37.3 | Very low | 44.7 | Very low | 186 Ų | 186 | 134.5 Ų | 134.5 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | trans | -116.4 | 161.5 | -155.9 | -151.7 | 163.1 | 15.6 | 0 | 0 | 113.4 | ||||
| 68 | E | 39.8 | Very low | 43 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -48.6 | 164.2 | -170.2 | -138.5 | -169.5 | 94.2 | 0 | 0 | 118.8 | T70 | E68-T70 WeakPolarHBondContact OE1-CA 3.38Å; E68-T70 PolarHBondContact OE1-N 3.35Å | ||
| 69 | P | 36.1 | Very low | 41.5 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | -146.7 | 124.3 | 101.7 | 35.9 | -18.9 | 0 | 0 | 0 | 117.8 | |||||
| 70 | T | 31.8 | Very low | 39.8 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 60.4 | 107.3 | 135.3 | -47.4 | 0 | 0 | 0 | 0 | 120.4 | E68 | E68-T70 WeakPolarHBondContact OE1-CA 3.38Å; E68-T70 PolarHBondContact OE1-N 3.35Å | ||
| 71 | E | 31.6 | Very low | 38.5 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -133.6 | 140.9 | 152.5 | -165.4 | 173.8 | 147.7 | 0 | 0 | 109.2 | ||||
| 72 | P | 39.3 | Very low | 37.3 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -85.3 | 121.1 | -172.5 | 31.5 | -34.1 | 0 | 0 | 0 | 114.1 | ||||
| 73 | E | 40.5 | Very low | 36.3 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -75.4 | 153.6 | 173.1 | -72 | -169.4 | 110.3 | 0 | 0 | 114.6 | V75 | E73-V75 HydrophobicContact CB-CG2 4.02Å; E73-V75 VanDerWaalsContact CD-CG2 3.42Å; E73-V75 HydrophobicContact CG-CG2 4.37Å; E73-V75 WeakPolarHBondContact OE1-CG2 3.39Å; E73-V75 WeakPolarHBondContact OE2-CG2 3.32Å | ||
| 74 | P | 36.8 | Very low | 35.5 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -111.7 | 106.1 | 140.2 | 33.4 | -23.4 | 0 | 0 | 0 | 111.1 | ||||
| 75 | V | 34.6 | Very low | 34.8 | Very low | 86 Ų | 86 | 144.6 Ų | 144.6 | 52% | 0.521 | 79% | 0.788 | S | S | . | * | trans | -81.9 | 130.4 | 178.4 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | E73 L77 | E73-V75 HydrophobicContact CB-CG2 4.02Å; E73-V75 VanDerWaalsContact CD-CG2 3.42Å; E73-V75 HydrophobicContact CG-CG2 4.37Å; E73-V75 WeakPolarHBondContact OE1-CG2 3.39Å; E73-V75 WeakPolarHBondContact OE2-CG2 3.32Å; V75-L77 HydrophobicContact CG1-CG 4.05Å | ||
| 76 | L | 29.8 | Very low | 35.6 | Very low | 176 Ų | 176 | 146.5 Ų | 146.5 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -109.7 | 108.9 | 157.5 | -79.8 | 178.6 | 0 | 0 | 0 | 110.2 | ||||
| 77 | L | 33.2 | Very low | 35.5 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -74.2 | 134.7 | -179 | -89.7 | 165.8 | 0 | 0 | 0 | 112.7 | V75 | V75-L77 HydrophobicContact CG1-CG 4.05Š| ||
| 78 | Q | 38.2 | Very low | 35.1 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -65.7 | 152.1 | 160.3 | -68 | 177.1 | -11.7 | 0 | 0 | 110.9 | ||||
| 79 | K | 31 | Very low | 34.8 | Very low | 203 Ų | 203 | 143.6 Ų | 143.6 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -143.4 | 115.2 | 157.2 | -165.6 | 160.8 | -172.7 | 169.5 | 0 | 112.7 | ||||
| 80 | S | 33.7 | Very low | 34.9 | Very low | 101 Ų | 101 | 144 Ų | 144 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -85.5 | 157.8 | 173.1 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 81 | V | 36.5 | Very low | 34.9 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -72.5 | 147.7 | 179.6 | 177 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 82 | P | 34 | Very low | 35.5 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -125.3 | 164.6 | 152 | 29.1 | -12.3 | 0 | 0 | 0 | 115.4 | ||||
| 83 | K | 30.2 | Very low | 35 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | -77.9 | 154.6 | -165.9 | 178.4 | -179.9 | 175.8 | -171.5 | 0 | 115.5 | E85 | K83-E85 IonicContact NZ-OE2 2.69Š| ||
| 84 | P | 37 | Very low | 34.5 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -111 | 148.4 | 170.5 | 38.6 | -29.9 | 0 | 0 | 0 | 115.1 | ||||
| 85 | E | 33.2 | Very low | 34 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | -169.8 | 159 | 167.5 | -109.9 | 177 | 142.7 | 0 | 0 | 108 | K83 | K83-E85 IonicContact NZ-OE2 2.69Š| ||
| 86 | P | 49.8 | Very low | 33.6 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | -132.5 | -160.2 | -55.6 | 31 | -9 | 0 | 0 | 0 | 112.7 | |||||
| 87 | V | 31.7 | Very low | 34.7 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | 85.8 | 128.4 | 166.2 | -170.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 88 | K | 27.7 | Very low | 34.3 | Very low | 197 Ų | 197 | 142.4 Ų | 142.4 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | cis | -148.9 | 160.1 | 14.2 | -136.6 | 154.8 | -162.1 | 175.9 | 0 | 113.6 | ||||
| 89 | E | 34.8 | Very low | 33.7 | Very low | 150 Ų | 150 | 141 Ų | 141 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -70.6 | 171.5 | 175.9 | -123.8 | -179.8 | 81.8 | 0 | 0 | 114.9 | ||||
| 90 | P | 36.9 | Very low | 33.6 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | -133.9 | 154.1 | 56.4 | 30.2 | -9 | 0 | 0 | 0 | 119.2 | |||||
| 91 | E | 33 | Very low | 33.4 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | trans | -72.4 | -169.7 | 162.6 | -111.6 | -174.2 | 67.9 | 0 | 0 | 113.1 | ||||
| 92 | P | 43.7 | Very low | 33.2 | Very low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | cis | -120.8 | -163.5 | -12 | 38.2 | -19.6 | 0 | 0 | 0 | 111.4 | ||||
| 93 | E | 28.5 | Very low | 33.1 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | cis | -121.2 | 167.1 | -3.8 | -79.8 | -172.1 | 88.1 | 0 | 0 | 109.2 | ||||
| 94 | H | 29.6 | Very low | 33.2 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | cis | 83.9 | 91.8 | 37.1 | -112.1 | 86.8 | 0 | 0 | 0 | 117 | ||||
| 95 | Q | 26.8 | Very low | 33 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | 169.6 | 152.5 | 115.6 | -89.1 | 173.8 | 27.3 | 0 | 0 | 112.6 | |||||
| 96 | A | 27.3 | Very low | 32.8 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -120.8 | -176.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 97 | P | 51.2 | Low | 31.8 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | cis | -121.6 | -173.2 | -20.1 | 34.9 | -16.8 | 0 | 0 | 0 | 111.5 | ||||
| 98 | E | 26.5 | Very low | 31.8 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | 164.9 | 145.3 | 125.7 | -87.3 | -155.2 | 109.5 | 0 | 0 | 115.8 | |||||
| 99 | Q | 25.1 | Very low | 32 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 33.8 | 129.9 | 143.2 | -55.9 | -164.6 | 37.8 | 0 | 0 | 124.6 | ||||
| 100 | S | 28.2 | Very low | 31.6 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | 67 | 152 | 125.4 | -63.1 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 101 | E | 29.7 | Very low | 31.6 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | 86.2 | 108.3 | 152.4 | -147.8 | 160.4 | 140.7 | 0 | 0 | 118.8 | V103 | E101-V103 HydrophobicContact CG-CG2 4.02Š| ||
| 102 | V | 33.1 | Very low | 32 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -108.7 | 111.4 | 169.1 | 174.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 103 | V | 31 | Very low | 31.3 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | trans | -134.6 | 120.3 | 171.8 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | E101 | E101-V103 HydrophobicContact CG-CG2 4.02Š| ||
| 104 | A | 32.7 | Very low | 32 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | 55.5 | 142.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 105 | P | 33.1 | Very low | 32.2 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -107.4 | 139.2 | 143.7 | 34.6 | -26.3 | 0 | 0 | 0 | 111.1 | ||||
| 106 | G | 27.5 | Very low | 33.1 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -149.6 | 133.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 107 | A | 30.1 | Very low | 34.1 | Very low | 96 Ų | 96 | 121.8 Ų | 121.8 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | -162.2 | 102.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 108 | E | 31.2 | Very low | 33.2 | Very low | 193 Ų | 193 | 121.4 Ų | 121.4 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | 67.4 | 119.7 | 86 | -89.4 | -141.5 | 86.1 | 0 | 0 | 115.6 | |||||
| 109 | A | 31.1 | Very low | 33.4 | Very low | 105 Ų | 105 | 122.7 Ų | 122.7 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | 179.6 | 132.8 | 118.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 110 | G | 27.6 | Very low | 35 | Very low | 78 Ų | 78 | 120.3 Ų | 120.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 126.3 | 99.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 111 | I | 36.7 | Very low | 36.1 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -137.6 | 150.3 | 155.9 | -21.4 | 179 | 0 | 0 | 0 | 107.4 | ||||
| 112 | P | 40.8 | Very low | 36.3 | Very low | 130 Ų | 130 | 117.3 Ų | 117.3 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | -151.2 | 132.5 | 85.1 | 34.2 | -13.4 | 0 | 0 | 0 | 115.9 | |||||
| 113 | G | 30.4 | Very low | 36.8 | Very low | 66 Ų | 66 | 115.3 Ų | 115.3 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | 100.8 | 171.6 | 97.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 114 | P | 42.4 | Very low | 37 | Very low | 128 Ų | 128 | 119 Ų | 119 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | cis | -141.3 | 165.2 | -35.4 | 40.7 | -23.8 | 0 | 0 | 0 | 117.3 | ||||
| 115 | A | 33.9 | Very low | 36.9 | Very low | 95 Ų | 95 | 119.3 Ų | 119.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 87.6 | 166.5 | 149.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 116 | P | 46 | Very low | 36.9 | Very low | 120 Ų | 120 | 119.7 Ų | 119.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | -137.1 | -147.5 | -103.8 | 35.8 | -10.5 | 0 | 0 | 0 | 114.7 | |||||
| 117 | P | 48.8 | Very low | 36.9 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | -122 | 171 | -70.8 | 37 | -21.6 | 0 | 0 | 0 | 115 | |||||
| 118 | A | 31 | Very low | 36.9 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -159 | 147.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 119 | E | 31.6 | Very low | 36.7 | Very low | 183 Ų | 183 | 122.1 Ų | 122.1 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -151.1 | -172.3 | -174.5 | -149.8 | -156.9 | 157.2 | 0 | 0 | 110.1 | ||||
| 120 | P | 58.7 | Low | 36.5 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | -98.7 | -150.6 | -101.7 | 41.1 | -24.4 | 0 | 0 | 0 | 113.5 | |||||
| 121 | P | 50.1 | Low | 36.5 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | cis | -140.4 | -164.8 | -0.2 | 39.3 | -15 | 0 | 0 | 0 | 118.4 | ||||
| 122 | A | 34.8 | Very low | 36.3 | Very low | 91 Ų | 91 | 119.7 Ų | 119.7 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -82.8 | -168.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 123 | P | 43.8 | Very low | 35.7 | Very low | 106 Ų | 106 | 118 Ų | 118 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | -152 | 163 | 63.2 | 43.8 | -21.4 | 0 | 0 | 0 | 117.6 | |||||
| 124 | Q | 34.8 | Very low | 35.7 | Very low | 186 Ų | 186 | 125.7 Ų | 125.7 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | 58.5 | 153.8 | 99.5 | -52.8 | 179.3 | -35.5 | 0 | 0 | 118.5 | |||||
| 125 | S | 30.2 | Very low | 35 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | cis | -165 | 159.8 | -5.7 | -116.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 126 | D | 33.2 | Very low | 34.8 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | 28.5 | 144.8 | 141.9 | -59.5 | -76.8 | 0 | 0 | 0 | 128.5 | ||||
| 127 | A | 28.2 | Very low | 34.3 | Very low | 92 Ų | 92 | 126 Ų | 126 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | 71.3 | 126.1 | 137.6 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 128 | L | 28.9 | Very low | 33.9 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 94% | 0.942 | 79% | 0.793 | S | S | * | * | -173 | 169.4 | 111 | -114 | 168.8 | 0 | 0 | 0 | 114.8 | |||||
| 129 | L | 27.8 | Very low | 33.9 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -127.6 | 141.7 | -168.2 | -145 | 172.4 | 0 | 0 | 0 | 109.9 | ||||
| 130 | A | 27 | Very low | 34.3 | Very low | 90 Ų | 90 | 123 Ų | 123 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | 70.9 | 145.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 131 | A | 28.2 | Very low | 32.9 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | 80.7 | 98.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 132 | A | 32 | Very low | 31.9 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -174.7 | 124.7 | 131.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 133 | A | 28.3 | Very low | 31.7 | Very low | 93 Ų | 93 | 125.6 Ų | 125.6 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | cis | 94.8 | 105.5 | 32.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 134 | R | 29.9 | Very low | 31.2 | Very low | 228 Ų | 228 | 125.4 Ų | 125.4 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | 71.2 | 154.8 | 169.4 | -51.5 | -174.3 | 176.6 | 178.4 | -2.1 | 115.5 | ||||
| 135 | E | 27.7 | Very low | 31.1 | Very low | 161 Ų | 161 | 121.1 Ų | 121.1 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | cis | -156 | 170.8 | 9.5 | -147 | 159.3 | 95.7 | 0 | 0 | 112.9 | ||||
| 136 | A | 29.8 | Very low | 31.3 | Very low | 92 Ų | 92 | 125.4 Ų | 125.4 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | 65.3 | 120.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 137 | A | 35.2 | Very low | 31.9 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | -89.9 | 162.4 | 143.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 138 | P | 40 | Very low | 32.2 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | -149.6 | 177.2 | 87 | 37.9 | -18.7 | 0 | 0 | 0 | 116.8 | |||||
| 139 | S | 31.2 | Very low | 32.3 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -79.5 | 163.2 | 174.8 | -166 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 140 | P | 39.5 | Very low | 32.3 | Very low | 123 Ų | 123 | 121.2 Ų | 121.2 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | -138.5 | 141.2 | 91 | 23.6 | -2.8 | 0 | 0 | 0 | 113.3 | |||||
| 141 | A | 30.1 | Very low | 32.6 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | 79.3 | 112.6 | 59 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 142 | E | 29.3 | Very low | 33 | Very low | 196 Ų | 196 | 127.8 Ų | 127.8 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -158.2 | 134.7 | 147.1 | -160.9 | 150.6 | 113 | 0 | 0 | 113.7 | ||||
| 143 | A | 31 | Very low | 33.6 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | trans | 42.2 | 124.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 144 | A | 33.3 | Very low | 34 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | 71.2 | 136.5 | 54.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 145 | A | 33.3 | Very low | 34.4 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | cis | -158.9 | 170.9 | 2.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 146 | Q | 33 | Very low | 35.7 | Very low | 182 Ų | 182 | 122.7 Ų | 122.7 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -98.5 | 167.8 | 160.7 | -57.2 | -177.6 | 13.6 | 0 | 0 | 110.2 | ||||
| 147 | P | 46.7 | Very low | 35.9 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | -159.9 | 172.2 | 95.5 | 40.9 | -21.4 | 0 | 0 | 0 | 119.2 | |||||
| 148 | A | 34.3 | Very low | 36 | Very low | 85 Ų | 85 | 123 Ų | 123 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | 66.1 | 115.8 | 145.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 149 | V | 30.1 | Very low | 35.8 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | 92.2 | 125.9 | 65.1 | 165 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 150 | T | 27.6 | Very low | 35.9 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -153.5 | 141 | 153.1 | -70.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 151 | Q | 34.9 | Very low | 35.8 | Very low | 181 Ų | 181 | 127.1 Ų | 127.1 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -106.7 | 169.7 | -175.5 | -78.7 | 178.9 | -52.7 | 0 | 0 | 113.5 | ||||
| 152 | E | 34.8 | Very low | 36.2 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 71% | 0.71 | 79% | 0.789 | S | S | * | * | trans | -43.1 | 167.1 | 177.1 | -137 | -164.8 | 87.9 | 0 | 0 | 118.2 | L154 | E152-L154 WeakPolarHBondContact OE1-CD1 3.4Å; E152-L154 PolarHBondContact OE1-N 3.35Å | ||
| 153 | P | 44.9 | Very low | 37.2 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | -148.7 | 135.6 | 87.9 | 36 | -16.6 | 0 | 0 | 0 | 119.4 | |||||
| 154 | L | 37.2 | Very low | 37.8 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | 51.4 | 109.6 | 133.9 | -127.3 | 80.8 | 0 | 0 | 0 | 124.9 | E152 | E152-L154 WeakPolarHBondContact OE1-CD1 3.4Å; E152-L154 PolarHBondContact OE1-N 3.35Å | ||
| 155 | A | 39.2 | Very low | 38.5 | Very low | 85 Ų | 85 | 129 Ų | 129 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | 66.5 | 166.8 | 127.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 156 | P | 53.8 | Low | 39.3 | Very low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -135.9 | 158.7 | -42.8 | 36.5 | -21.5 | 0 | 0 | 0 | 114.5 | ||||
| 157 | A | 34.4 | Very low | 40.4 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -149.6 | 133.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 158 | S | 37 | Very low | 40.7 | Very low | 91 Ų | 91 | 125.5 Ų | 125.5 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -67.4 | 152.7 | 178.1 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 159 | Y | 36.6 | Very low | 41.6 | Very low | 222 Ų | 222 | 127.4 Ų | 127.4 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | -176.2 | 152.7 | 105.7 | -102.3 | -72.7 | 0 | 0 | 0 | 113.1 | |||||
| 160 | A | 32.9 | Very low | 42.6 | Very low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 58.7 | 87.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | S162 | A160-S162 PolarHBondContact O-N 2.9Š| ||
| 161 | S | 37.7 | Very low | 43.9 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | -63.2 | 120.9 | 148.4 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 162 | S | 38.4 | Very low | 44.9 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | -107.9 | 117.9 | 179.8 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | A160 A164 | A160-S162 PolarHBondContact O-N 2.9Å; S162-A164 VanDerWaalsContact C-N 3.28Å; S162-A164 PolarHBondContact O-N 3.06Å | ||
| 163 | P | 50.3 | Low | 45.9 | Very low | 134 Ų | 134 | 122.4 Ų | 122.4 | 87% | 0.87 | 73% | 0.73 | S | S | * | * | trans | -84.3 | 67.4 | -178.8 | 34.9 | -34.8 | 0 | 0 | 0 | 111.3 | ||||
| 164 | A | 44.3 | Very low | 46.7 | Very low | 86 Ų | 86 | 121.3 Ų | 121.3 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | trans | -117.3 | 54.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S162 | S162-A164 VanDerWaalsContact C-N 3.28Å; S162-A164 PolarHBondContact O-N 3.06Å | ||
| 165 | K | 47 | Very low | 48 | Very low | 193 Ų | 193 | 118 Ų | 118 | 84% | 0.839 | 70% | 0.704 | S | S | * | * | trans | -129.3 | 55.6 | 175.4 | -155.1 | 169.8 | -174.3 | 174.5 | 0 | 113.4 | ||||
| 166 | A | 51.1 | Low | 49 | Very low | 97 Ų | 97 | 118 Ų | 118 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -121.7 | 21.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 167 | Q | 56.2 | Low | 49.4 | Very low | 154 Ų | 154 | 115.3 Ų | 115.3 | 72% | 0.72 | 68% | 0.676 | S | S | * | * | trans | -131.3 | 18 | 178.3 | -62.5 | -165.9 | 46 | 0 | 0 | 117.6 | L169 | Q167-L169 PolarHBondContact O-N 3.06Š| ||
| 168 | P | 52.7 | Low | 50.9 | Low | 76 Ų | 76 | 114.1 Ų | 114.1 | 49% | 0.494 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -68.6 | -20.1 | 178.6 | 31 | -35.3 | 0 | 0 | 0 | 113.4 | M172 | P168-M172 PolarHBondContact O-N 2.76Å |
| 169 | L | 52.6 | Low | 52.2 | Low | 124 Ų | 124 | 114.2 Ų | 114.2 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -76.2 | -46.8 | -170.8 | -158.8 | 153.4 | 0 | 0 | 0 | 112.6 | Q167 Q173 | Q167-L169 PolarHBondContact O-N 3.06Å; L169-Q173 HydrophobicContact CD2-CG 4.18Å; L169-Q173 WeakPolarHBondContact O-CG 3.13Å; L169-Q173 PolarHBondContact O-N 2.85Å |
| 170 | L | 52 | Low | 53.4 | Low | 124 Ų | 124 | 105.4 Ų | 105.4 | 65% | 0.649 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.8 | -35.9 | -178.1 | -71.3 | 179.6 | 0 | 0 | 0 | 113.5 | Q173 L174 | L170-Q173 PolarHBondContact O-N 2.81Å; L170-L174 PolarHBondContact O-N 3.31Å |
| 171 | L | 54.8 | Low | 55.1 | Low | 126 Ų | 126 | 103.4 Ų | 103.4 | 66% | 0.66 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -74.5 | -24.1 | 178.8 | -81.4 | 179.5 | 0 | 0 | 0 | 113.9 | L174 P175 | L171-L174 HydrophobicContact CD2-CD1 4.31Å; L171-P175 WeakPolarHBondContact O-CD 3.45Å |
| 172 | M | 54.8 | Low | 56.4 | Low | 141 Ų | 141 | 102.6 Ų | 102.6 | 70% | 0.695 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -76.3 | -27.1 | 168.5 | -75.6 | -169.5 | 74.6 | 0 | 0 | 112.5 | P168 P175 T176 | P168-M172 PolarHBondContact O-N 2.76Å; M172-P175 WeakPolarHBondContact O-CD 3.12Å; M172-P175 WeakPolarHBondContact O-CG 3.5Å; M172-T176 PolarHBondContact O-OG1 3.07Å; M172-T176 VanDerWaalsContact O-OG1 3.09Å |
| 173 | Q | 57.1 | Low | 57.9 | Low | 111 Ų | 111 | 101.8 Ų | 101.8 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67 | -41.8 | 177.7 | -64 | -102.6 | -71.3 | 0 | 0 | 111.5 | L169 L170 T176 V177 | L169-Q173 HydrophobicContact CD2-CG 4.18Å; L169-Q173 WeakPolarHBondContact O-CG 3.13Å; L169-Q173 PolarHBondContact O-N 2.85Å; L170-Q173 PolarHBondContact O-N 2.81Å; Q173-T176 CarbonylContact O-C 3.31Å; Q173-T176 WeakPolarHBondContact O-CB 3.46Å; Q173-T176 PolarHBondContact O-N 2.87Å; Q173-T176 VanDerWaalsContact O-N 3.14Å; Q173-V177 WeakPolarHBondContact O-CG2 3.42Å; Q173-V177 PolarHBondContact O-N 2.85Å |
| 174 | L | 60.6 | Low | 58.9 | Low | 101 Ų | 101 | 104.1 Ų | 104.1 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -54.7 | -53.7 | -176.9 | -77.5 | -178.3 | 0 | 0 | 0 | 115.5 | L170 L171 T176 V177 V178 | L170-L174 PolarHBondContact O-N 3.31Å; L171-L174 HydrophobicContact CD2-CD1 4.31Å; L174-T176 VanDerWaalsContact C-N 3.27Å; L174-T176 PolarHBondContact O-N 3.43Å; L174-V177 HydrophobicContact CD2-CG2 4.45Å; L174-V177 WeakPolarHBondContact O-CG2 3.42Å; L174-V177 PolarHBondContact O-N 2.71Å; L174-V178 WeakPolarHBondContact O-CB 3.13Å; L174-V178 VanDerWaalsContact O-CG2 3.26Å; L174-V178 WeakPolarHBondContact O-CG2 3.46Å; L174-V178 PolarHBondContact O-N 3.44Å |
| 175 | P | 63.6 | Low | 60.2 | Low | 71 Ų | 71 | 105.2 Ų | 105.2 | 46% | 0.461 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 176.1 | 24.9 | -33.2 | 0 | 0 | 0 | 111.1 | L171 M172 V178 E179 | L171-P175 WeakPolarHBondContact O-CD 3.45Å; M172-P175 WeakPolarHBondContact O-CD 3.12Å; M172-P175 WeakPolarHBondContact O-CG 3.5Å; P175-V178 PolarHBondContact O-N 3.12Å; P175-E179 WeakPolarHBondContact O-CB 3.2Å; P175-E179 WeakPolarHBondContact O-CG 3.1Å; P175-E179 PolarHBondContact O-N 2.65Å |
| 176 | T | 61.8 | Low | 61.5 | Low | 85 Ų | 85 | 100.4 Ų | 100.4 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 177.5 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | M172 Q173 L174 L180 | M172-T176 PolarHBondContact O-OG1 3.07Å; M172-T176 VanDerWaalsContact O-OG1 3.09Å; Q173-T176 CarbonylContact O-C 3.31Å; Q173-T176 WeakPolarHBondContact O-CB 3.46Å; Q173-T176 PolarHBondContact O-N 2.87Å; Q173-T176 VanDerWaalsContact O-N 3.14Å; L174-T176 VanDerWaalsContact C-N 3.27Å; L174-T176 PolarHBondContact O-N 3.43Å; T176-L180 VanDerWaalsContact O-CB 3.26Å; T176-L180 WeakPolarHBondContact O-CB 3.37Å; T176-L180 PolarHBondContact O-N 3.36Å |
| 177 | V | 61.6 | Low | 62.7 | Low | 69 Ų | 69 | 104.5 Ų | 104.5 | 42% | 0.418 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.8 | -28.7 | 175.7 | -69.6 | 0 | 0 | 0 | 0 | 112.8 | Q173 L174 L180 V181 | Q173-V177 WeakPolarHBondContact O-CG2 3.42Å; Q173-V177 PolarHBondContact O-N 2.85Å; L174-V177 HydrophobicContact CD2-CG2 4.45Å; L174-V177 WeakPolarHBondContact O-CG2 3.42Å; L174-V177 PolarHBondContact O-N 2.71Å; V177-L180 PolarHBondContact O-N 2.95Å; V177-V181 VanDerWaalsContact O-CB 3.31Å; V177-V181 WeakPolarHBondContact O-CB 3.48Å; V177-V181 VanDerWaalsContact O-CG2 3.23Å; V177-V181 WeakPolarHBondContact O-CG2 3.31Å; V177-V181 PolarHBondContact O-N 2.92Å |
| 178 | V | 65.8 | Low | 63.6 | Low | 79 Ų | 79 | 101 Ų | 101 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.6 | -45.4 | 173 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | L174 P175 L180 V181 Y182 | L174-V178 WeakPolarHBondContact O-CB 3.13Å; L174-V178 VanDerWaalsContact O-CG2 3.26Å; L174-V178 WeakPolarHBondContact O-CG2 3.46Å; L174-V178 PolarHBondContact O-N 3.44Å; P175-V178 PolarHBondContact O-N 3.12Å; V178-L180 PolarHBondContact O-N 2.93Å; V178-V181 PolarHBondContact O-N 3.33Å; V178-Y182 HydrophobicContact CG1-CD2 4.26Å; V178-Y182 WeakPolarHBondContact O-CB 3.49Å; V178-Y182 PolarHBondContact O-N 3.41Å |
| 179 | E | 64.3 | Low | 64.9 | Low | 92 Ų | 92 | 97.4 Ų | 97.4 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -30.9 | 172.8 | -69.1 | -165 | 139.1 | 0 | 0 | 112 | P175 W183 R184 | P175-E179 WeakPolarHBondContact O-CB 3.2Å; P175-E179 WeakPolarHBondContact O-CG 3.1Å; P175-E179 PolarHBondContact O-N 2.65Å; E179-W183 PolarHBondContact O-N 2.86Å; E179-R184 HydrophobicContact CB-CB 4.12Å; E179-R184 VanDerWaalsContact CD-CD 3.49Å; E179-R184 WeakPolarHBondContact O-CB 3.25Å; E179-R184 PolarHBondContact O-N 2.84Å; E179-R184 WeakPolarHBondContact OE1-CD 3.27Å; E179-R184 IonicContact OE1-CZ 3.33Å; E179-R184 IonicContact OE1-NE 3.88Å; E179-R184 PolarHBondContact OE1-NE 2.86Å; E179-R184 IonicContact OE1-NH2 3.61Å |
| 180 | L | 63 | Low | 66.3 | Low | 38 Ų | 38 | 92.7 Ų | 92.7 | 20% | 0.199 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -69 | -42.8 | 174.6 | -155.9 | 81.8 | 0 | 0 | 0 | 111.8 | T176 V177 V178 W183 T189 V192 F321 | T176-L180 VanDerWaalsContact O-CB 3.26Å; T176-L180 WeakPolarHBondContact O-CB 3.37Å; T176-L180 PolarHBondContact O-N 3.36Å; V177-L180 PolarHBondContact O-N 2.95Å; V178-L180 PolarHBondContact O-N 2.93Å; L180-W183 PolarHBondContact O-N 3.21Å; L180-T189 HydrophobicContact CB-CG2 4.25Å; L180-T189 HydrophobicContact CD1-CG2 3.59Å; L180-T189 HydrophobicContact CG-CG2 3.81Å; L180-T189 WeakPolarHBondContact O-CG2 3.17Å; L180-V192 HydrophobicContact CD2-CG1 4.1Å; L180-F321 WeakPolarHBondContact O-CE1 3.27Å |
| 181 | V | 66.9 | Low | 67.8 | Low | 45 Ų | 45 | 91.8 Ų | 91.8 | 27% | 0.273 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.5 | -32.2 | 177.2 | 163.7 | 0 | 0 | 0 | 0 | 112 | V177 V178 W183 F321 P324 | V177-V181 VanDerWaalsContact O-CB 3.31Å; V177-V181 WeakPolarHBondContact O-CB 3.48Å; V177-V181 VanDerWaalsContact O-CG2 3.23Å; V177-V181 WeakPolarHBondContact O-CG2 3.31Å; V177-V181 PolarHBondContact O-N 2.92Å; V178-V181 PolarHBondContact O-N 3.33Å; V181-W183 VanDerWaalsContact C-N 3.29Å; V181-W183 PolarHBondContact O-N 3.22Å; V181-F321 HydrophobicContact CG2-CZ 4.34Å; V181-P324 HydrophobicContact CG1-CG 3.89Å |
| 182 | Y | 66.1 | Low | 69.1 | Low | 112 Ų | 112 | 89.1 Ų | 89.1 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 12.1 | 173.4 | -95.5 | -88.7 | 0 | 0 | 0 | 114.4 | V178 R184 P324 | V178-Y182 HydrophobicContact CG1-CD2 4.26Å; V178-Y182 WeakPolarHBondContact O-CB 3.49Å; V178-Y182 PolarHBondContact O-N 3.41Å; Y182-R184 PolarHBondContact O-N 3.5Å; Y182-P324 HydrophobicContact CE2-CB 4.48Å |
| 183 | W | 69.4 | Low | 70.5 | Confident | 80 Ų | 80 | 83.9 Ų | 83.9 | 30% | 0.303 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 24.5 | 176.1 | -75 | 67 | 0 | 0 | 0 | 115.4 | E179 L180 V181 D185 V186 F321 I325 | E179-W183 PolarHBondContact O-N 2.86Å; L180-W183 PolarHBondContact O-N 3.21Å; V181-W183 VanDerWaalsContact C-N 3.29Å; V181-W183 PolarHBondContact O-N 3.22Å; W183-D185 PolarHBondContact O-N 2.94Å; W183-V186 HydrophobicContact CE3-CB 4.44Å; W183-V186 HydrophobicContact CE3-CG1 3.99Å; W183-V186 HydrophobicContact CE3-CG2 4.42Å; W183-V186 HydrophobicContact CZ3-CG1 4.09Å; W183-V186 WeakPolarHBondContact O-CG2 3.47Å; W183-V186 PolarHBondContact O-N 3.5Å; W183-F321 AromaticContact NE1-CD1 3.78Å; W183-F321 PolarHBondContact NE1-O 2.84Å; W183-I325 HydrophobicContact CB-CD1 3.89Å; W183-I325 HydrophobicContact CG-CD1 3.86Å; W183-I325 HydrophobicContact CG-CG1 4.19Å |
| 184 | R | 71 | Confident | 71.7 | Confident | 182 Ų | 182 | 80.1 Ų | 80.1 | 69% | 0.687 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -31.6 | -172 | -153.4 | 166.2 | 168.7 | 94.8 | -7.7 | 112.5 | E179 Y182 | E179-R184 HydrophobicContact CB-CB 4.12Å; E179-R184 VanDerWaalsContact CD-CD 3.49Å; E179-R184 WeakPolarHBondContact O-CB 3.25Å; E179-R184 PolarHBondContact O-N 2.84Å; E179-R184 WeakPolarHBondContact OE1-CD 3.27Å; E179-R184 IonicContact OE1-CZ 3.33Å; E179-R184 IonicContact OE1-NE 3.88Å; E179-R184 PolarHBondContact OE1-NE 2.86Å; E179-R184 IonicContact OE1-NH2 3.61Å; Y182-R184 PolarHBondContact O-N 3.5Å |
| 185 | D | 73 | Confident | 72.8 | Confident | 110 Ų | 110 | 78 Ų | 78 | 59% | 0.588 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 79.9 | 164.5 | -90.8 | -50.8 | 0 | 0 | 0 | 110.8 | W183 K187 T188 T189 | W183-D185 PolarHBondContact O-N 2.94Å; D185-K187 PolarHBondContact O-N 3.48Å; D185-T188 PolarHBondContact O-N 3.42Å; D185-T189 WeakPolarHBondContact O-CB 3.19Å; D185-T189 VanDerWaalsContact O-CG2 3.25Å; D185-T189 WeakPolarHBondContact O-CG2 3.41Å; D185-T189 PolarHBondContact O-N 3.44Å; D185-T189 PolarHBondContact O-OG1 3.3Å |
| 186 | V | 73.4 | Confident | 73.6 | Confident | 92 Ų | 92 | 76.1 Ų | 76.1 | 56% | 0.558 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -44.9 | -36.2 | -177.6 | 178.2 | 0 | 0 | 0 | 0 | 114 | W183 T189 G190 | W183-V186 HydrophobicContact CE3-CB 4.44Å; W183-V186 HydrophobicContact CE3-CG1 3.99Å; W183-V186 HydrophobicContact CE3-CG2 4.42Å; W183-V186 HydrophobicContact CZ3-CG1 4.09Å; W183-V186 WeakPolarHBondContact O-CG2 3.47Å; W183-V186 PolarHBondContact O-N 3.5Å; V186-T189 WeakPolarHBondContact CA-OG1 3.3Å; V186-T189 PolarHBondContact O-OG1 3.2Å; V186-G190 PolarHBondContact O-N 2.79Å |
| 187 | K | 75.9 | Confident | 74.8 | Confident | 183 Ų | 183 | 74.4 Ų | 74.4 | 80% | 0.796 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -71.9 | -50.6 | -179.4 | -62.5 | 179.3 | -177.7 | 177.4 | 0 | 112.1 | D185 V191 | D185-K187 PolarHBondContact O-N 3.48Å; K187-V191 WeakPolarHBondContact O-CB 3.48Å; K187-V191 VanDerWaalsContact O-CG2 3.27Å; K187-V191 WeakPolarHBondContact O-CG2 3.37Å; K187-V191 PolarHBondContact O-N 3.16Å; K187-V191 VanDerWaalsContact O-N 3.12Å |
| 188 | T | 75.1 | Confident | 75.9 | Confident | 79 Ų | 79 | 77 Ų | 77 | 49% | 0.485 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -70.3 | -43.3 | -179 | -48.3 | 0 | 0 | 0 | 0 | 110.7 | D185 V191 V192 | D185-T188 PolarHBondContact O-N 3.42Å; T188-V191 PolarHBondContact O-N 3.35Å; T188-V192 WeakPolarHBondContact O-CB 3.32Å; T188-V192 VanDerWaalsContact O-CG2 3.31Å; T188-V192 WeakPolarHBondContact O-CG2 3.39Å; T188-V192 PolarHBondContact O-N 3.3Å |
| 189 | T | 80.7 | Confident | 76.7 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.006 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 177.2 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | L180 D185 V186 V191 V192 F193 | L180-T189 HydrophobicContact CB-CG2 4.25Å; L180-T189 HydrophobicContact CD1-CG2 3.59Å; L180-T189 HydrophobicContact CG-CG2 3.81Å; L180-T189 WeakPolarHBondContact O-CG2 3.17Å; D185-T189 WeakPolarHBondContact O-CB 3.19Å; D185-T189 VanDerWaalsContact O-CG2 3.25Å; D185-T189 WeakPolarHBondContact O-CG2 3.41Å; D185-T189 PolarHBondContact O-N 3.44Å; D185-T189 PolarHBondContact O-OG1 3.3Å; V186-T189 WeakPolarHBondContact CA-OG1 3.3Å; V186-T189 PolarHBondContact O-OG1 3.2Å; T189-V191 PolarHBondContact O-N 2.86Å; T189-V192 PolarHBondContact O-N 3.25Å; T189-F193 WeakPolarHBondContact O-CB 3.36Å; T189-F193 PolarHBondContact O-N 3.4Å |
| 190 | G | 82 | Confident | 77.6 | Confident | 25 Ų | 25 | 75 Ų | 75 | 26% | 0.258 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V186 G194 | V186-G190 PolarHBondContact O-N 2.79Å; G190-G194 WeakPolarHBondContact O-CA 3.26Å; G190-G194 PolarHBondContact O-N 2.85Å |
| 191 | V | 84.1 | Confident | 78.4 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 64% | 0.636 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.5 | -45 | 175.1 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | K187 T188 T189 A195 | K187-V191 WeakPolarHBondContact O-CB 3.48Å; K187-V191 VanDerWaalsContact O-CG2 3.27Å; K187-V191 WeakPolarHBondContact O-CG2 3.37Å; K187-V191 PolarHBondContact O-N 3.16Å; K187-V191 VanDerWaalsContact O-N 3.12Å; T188-V191 PolarHBondContact O-N 3.35Å; T189-V191 PolarHBondContact O-N 2.86Å; V191-A195 WeakPolarHBondContact O-CB 3.46Å; V191-A195 PolarHBondContact O-N 2.81Å |
| 192 | V | 81.7 | Confident | 79 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 43% | 0.43 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68 | -44.6 | 179.5 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | L180 T188 T189 A196 | L180-V192 HydrophobicContact CD2-CG1 4.1Å; T188-V192 WeakPolarHBondContact O-CB 3.32Å; T188-V192 VanDerWaalsContact O-CG2 3.31Å; T188-V192 WeakPolarHBondContact O-CG2 3.39Å; T188-V192 PolarHBondContact O-N 3.3Å; T189-V192 PolarHBondContact O-N 3.25Å; V192-A196 VanDerWaalsContact O-CB 3.23Å; V192-A196 WeakPolarHBondContact O-CB 3.43Å; V192-A196 PolarHBondContact O-N 2.84Å |
| 193 | F | 82.8 | Confident | 79.5 | Confident | 31 Ų | 31 | 77.8 Ų | 77.8 | 14% | 0.136 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 174.2 | 174.1 | -103.3 | 0 | 0 | 0 | 111.4 | T189 A196 L197 L317 V318 F321 | T189-F193 WeakPolarHBondContact O-CB 3.36Å; T189-F193 PolarHBondContact O-N 3.4Å; F193-A196 PolarHBondContact O-N 3.4Å; F193-L197 HydrophobicContact CE1-CD2 4.01Å; F193-L197 HydrophobicContact CZ-CD2 4.12Å; F193-L197 WeakPolarHBondContact O-CB 3.46Å; F193-L197 PolarHBondContact O-N 2.92Å; F193-L317 HydrophobicContact CD2-CG 4.32Å; F193-L317 HydrophobicContact CE2-CG 4.14Å; F193-V318 HydrophobicContact CZ-CG2 4.19Å; F193-F321 HydrophobicContact CB-CD1 4.28Å; F193-F321 HydrophobicContact CB-CE1 4.24Å; F193-F321 HydrophobicContact CD2-CB 3.81Å; F193-F321 AromaticContact CD2-CD1 3.98Å; F193-F321 HydrophobicContact CD2-CD1 3.98Å; F193-F321 AromaticContact CD2-CD2 3.59Å; F193-F321 HydrophobicContact CD2-CD2 3.59Å; F193-F321 HydrophobicContact CD2-CE1 4.46Å; F193-F321 HydrophobicContact CD2-CE2 4.12Å; F193-F321 AromaticContact CD2-CG 3.51Å; F193-F321 HydrophobicContact CD2-CG 3.51Å; F193-F321 HydrophobicContact CE2-CB 3.74Å; F193-F321 HydrophobicContact CE2-CD2 4.03Å; F193-F321 AromaticContact CE2-CG 3.94Å; F193-F321 HydrophobicContact CE2-CG 3.94Å; F193-F321 HydrophobicContact CG-CD1 4.34Å; F193-F321 HydrophobicContact CG-CG 4.28Å; F193-F321 HydrophobicContact CZ-CB 4.49Å |
| 194 | G | 84 | Confident | 79.8 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 32% | 0.32 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G190 L197 L198 | G190-G194 WeakPolarHBondContact O-CA 3.26Å; G190-G194 PolarHBondContact O-N 2.85Å; G194-L197 PolarHBondContact O-N 3.3Å; G194-L198 WeakPolarHBondContact O-CB 3.13Å; G194-L198 PolarHBondContact O-N 3.3Å |
| 195 | A | 83.1 | Confident | 79.7 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 48% | 0.479 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | V191 L199 | V191-A195 WeakPolarHBondContact O-CB 3.46Å; V191-A195 PolarHBondContact O-N 2.81Å; A195-L199 VanDerWaalsContact O-CB 3.23Å; A195-L199 WeakPolarHBondContact O-CB 3.29Å; A195-L199 PolarHBondContact O-N 3.44Å |
| 196 | A | 80.7 | Confident | 79.5 | Confident | 30 Ų | 30 | 68.8 Ų | 68.8 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V192 F193 L198 L199 L200 L317 | V192-A196 VanDerWaalsContact O-CB 3.23Å; V192-A196 WeakPolarHBondContact O-CB 3.43Å; V192-A196 PolarHBondContact O-N 2.84Å; F193-A196 PolarHBondContact O-N 3.4Å; A196-L198 PolarHBondContact O-N 2.89Å; A196-L199 PolarHBondContact O-N 2.86Å; A196-L200 WeakPolarHBondContact O-CB 3.31Å; A196-L200 WeakPolarHBondContact O-CD1 3.41Å; A196-L200 PolarHBondContact O-N 2.82Å; A196-L317 HydrophobicContact CB-CD2 4.03Å |
| 197 | L | 85.9 | Confident | 79.8 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 26% | 0.257 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 178.4 | -173.5 | 66.4 | 0 | 0 | 0 | 111.8 | F193 G194 L201 I314 V318 | F193-L197 HydrophobicContact CE1-CD2 4.01Å; F193-L197 HydrophobicContact CZ-CD2 4.12Å; F193-L197 WeakPolarHBondContact O-CB 3.46Å; F193-L197 PolarHBondContact O-N 2.92Å; G194-L197 PolarHBondContact O-N 3.3Å; L197-L201 WeakPolarHBondContact O-CB 3.2Å; L197-L201 PolarHBondContact O-N 3.37Å; L197-I314 HydrophobicContact CD1-CG2 3.9Å; L197-V318 HydrophobicContact CD1-CG2 3.91Å |
| 198 | L | 85.1 | Confident | 79.3 | Confident | 125 Ų | 125 | 60.9 Ų | 60.9 | 65% | 0.654 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -70.3 | -37.9 | 177 | -175.3 | 143 | 0 | 0 | 0 | 112.3 | G194 A196 L201 S202 | G194-L198 WeakPolarHBondContact O-CB 3.13Å; G194-L198 PolarHBondContact O-N 3.3Å; A196-L198 PolarHBondContact O-N 2.89Å; L198-L201 PolarHBondContact O-N 3.43Å; L198-S202 VanDerWaalsContact O-CB 3.3Å; L198-S202 WeakPolarHBondContact O-CB 3.13Å; L198-S202 PolarHBondContact O-N 2.88Å |
| 199 | L | 83.3 | Confident | 79 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 53% | 0.534 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 172.5 | 177.2 | 62.4 | 0 | 0 | 0 | 111.2 | A195 A196 L201 S202 L203 | A195-L199 VanDerWaalsContact O-CB 3.23Å; A195-L199 WeakPolarHBondContact O-CB 3.29Å; A195-L199 PolarHBondContact O-N 3.44Å; A196-L199 PolarHBondContact O-N 2.86Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 3.48Å; L199-S202 PolarHBondContact O-N 2.8Å; L199-L203 HydrophobicContact CD1-CD1 4.21Å; L199-L203 HydrophobicContact CG-CD1 4.1Å; L199-L203 WeakPolarHBondContact O-CB 3.48Å; L199-L203 WeakPolarHBondContact O-CG 3.23Å; L199-L203 PolarHBondContact O-N 2.9Å |
| 200 | L | 81.9 | Confident | 78.2 | Confident | 26 Ų | 26 | 64 Ų | 64 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 175.4 | -91.4 | 70.1 | 0 | 0 | 0 | 111.3 | A196 L203 S204 L310 L313 I314 L317 | A196-L200 WeakPolarHBondContact O-CB 3.31Å; A196-L200 WeakPolarHBondContact O-CD1 3.41Å; A196-L200 PolarHBondContact O-N 2.82Å; L200-L203 PolarHBondContact O-N 2.9Å; L200-S204 WeakPolarHBondContact O-CB 3.16Å; L200-S204 PolarHBondContact O-N 3.3Å; L200-L310 HydrophobicContact CB-CD2 4.31Å; L200-L310 HydrophobicContact CG-CD2 4.47Å; L200-L310 WeakPolarHBondContact O-CD2 3.3Å; L200-L313 HydrophobicContact CD2-CB 4.5Å; L200-L313 HydrophobicContact CD2-CD2 3.85Å; L200-L313 HydrophobicContact CD2-CG 3.82Å; L200-L313 HydrophobicContact CG-CD2 4.38Å; L200-I314 HydrophobicContact CB-CD1 4.41Å; L200-I314 HydrophobicContact CB-CG1 3.88Å; L200-I314 HydrophobicContact CD2-CG1 4.09Å; L200-L317 HydrophobicContact CD2-CD2 4.03Å |
| 201 | L | 80.6 | Confident | 77.3 | Confident | 99 Ų | 99 | 65.9 Ų | 65.9 | 52% | 0.518 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 177.1 | -175.4 | 63.6 | 0 | 0 | 0 | 111.9 | L197 L198 L199 S204 V205 | L197-L201 WeakPolarHBondContact O-CB 3.2Å; L197-L201 PolarHBondContact O-N 3.37Å; L198-L201 PolarHBondContact O-N 3.43Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 3.48Å; L201-S204 VanDerWaalsContact O-CB 3.31Å; L201-S204 WeakPolarHBondContact O-CB 3.23Å; L201-S204 PolarHBondContact O-N 3.09Å; L201-S204 VanDerWaalsContact O-N 3.15Å; L201-V205 WeakPolarHBondContact O-CG2 3.41Å; L201-V205 PolarHBondContact O-N 3.3Å |
| 202 | S | 78.7 | Confident | 75.7 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 46% | 0.462 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 173.8 | -179 | 0 | 0 | 0 | 0 | 111.4 | L198 L199 S204 V205 C206 | L198-S202 VanDerWaalsContact O-CB 3.3Å; L198-S202 WeakPolarHBondContact O-CB 3.13Å; L198-S202 PolarHBondContact O-N 2.88Å; L199-S202 PolarHBondContact O-N 2.8Å; S202-S204 VanDerWaalsContact C-N 3.29Å; S202-S204 PolarHBondContact O-N 2.8Å; S202-V205 PolarHBondContact O-N 3.29Å; S202-C206 WeakPolarHBondContact O-CB 3.3Å; S202-C206 PolarHBondContact O-N 3.41Å; S202-C206 PolarHBondContact O-SG 3.41Å; S202-C206 VanDerWaalsContact O-SG 3.39Å |
| 203 | L | 76.3 | Confident | 74.8 | Confident | 89 Ų | 89 | 64 Ų | 64 | 47% | 0.466 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 171.5 | -75.8 | 163.9 | 0 | 0 | 0 | 111.7 | L199 L200 S207 L310 | L199-L203 HydrophobicContact CD1-CD1 4.21Å; L199-L203 HydrophobicContact CG-CD1 4.1Å; L199-L203 WeakPolarHBondContact O-CB 3.48Å; L199-L203 WeakPolarHBondContact O-CG 3.23Å; L199-L203 PolarHBondContact O-N 2.9Å; L200-L203 PolarHBondContact O-N 2.9Å; L203-S207 WeakPolarHBondContact O-CA 3.3Å; L203-S207 WeakPolarHBondContact O-CB 3.35Å; L203-S207 PolarHBondContact O-N 2.8Å; L203-L310 HydrophobicContact CB-CD1 4.05Å |
| 204 | S | 76.1 | Confident | 73.6 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 9% | 0.091 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.8 | -52.2 | 176.8 | -161.7 | 0 | 0 | 0 | 0 | 111.1 | L200 L201 S202 I208 | L200-S204 WeakPolarHBondContact O-CB 3.16Å; L200-S204 PolarHBondContact O-N 3.3Å; L201-S204 VanDerWaalsContact O-CB 3.31Å; L201-S204 WeakPolarHBondContact O-CB 3.23Å; L201-S204 PolarHBondContact O-N 3.09Å; L201-S204 VanDerWaalsContact O-N 3.15Å; S202-S204 VanDerWaalsContact C-N 3.29Å; S202-S204 PolarHBondContact O-N 2.8Å; S204-I208 WeakPolarHBondContact O-CA 3.19Å; S204-I208 WeakPolarHBondContact O-CB 3.26Å; S204-I208 WeakPolarHBondContact O-CG2 3.43Å; S204-I208 PolarHBondContact O-N 2.85Å |
| 205 | V | 69.3 | Low | 72.4 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.3 | -46.3 | -176.7 | 177 | 0 | 0 | 0 | 0 | 111.1 | L201 S202 V209 | L201-V205 WeakPolarHBondContact O-CG2 3.41Å; L201-V205 PolarHBondContact O-N 3.3Å; S202-V205 PolarHBondContact O-N 3.29Å; V205-V209 VanDerWaalsContact O-CB 3.32Å; V205-V209 WeakPolarHBondContact O-CB 3.48Å; V205-V209 WeakPolarHBondContact O-CG2 3.19Å; V205-V209 PolarHBondContact O-N 2.88Å; V205-V209 VanDerWaalsContact O-N 3.12Å |
| 206 | C | 69.8 | Low | 70.9 | Confident | 86 Ų | 86 | 72 Ų | 72 | 58% | 0.581 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -69.9 | -40.5 | -179.2 | -65.4 | 0 | 0 | 0 | 0 | 112.9 | S202 S210 | S202-C206 WeakPolarHBondContact O-CB 3.3Å; S202-C206 PolarHBondContact O-N 3.41Å; S202-C206 PolarHBondContact O-SG 3.41Å; S202-C206 VanDerWaalsContact O-SG 3.39Å; C206-S210 WeakPolarHBondContact O-CB 3.23Å; C206-S210 PolarHBondContact O-N 2.78Å; C206-S210 PolarHBondContact O-OG 3.08Å |
| 207 | S | 78.2 | Confident | 70.1 | Confident | 50 Ų | 50 | 75.4 Ų | 75.4 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -74.1 | -45.1 | 178.1 | -168.9 | 0 | 0 | 0 | 0 | 111.4 | L203 V209 S210 V211 | L203-S207 WeakPolarHBondContact O-CA 3.3Å; L203-S207 WeakPolarHBondContact O-CB 3.35Å; L203-S207 PolarHBondContact O-N 2.8Å; S207-V209 PolarHBondContact O-N 3.33Å; S207-S210 WeakPolarHBondContact CA-OG 3.3Å; S207-S210 PolarHBondContact O-N 2.88Å; S207-S210 PolarHBondContact O-OG 2.81Å; S207-V211 VanDerWaalsContact O-CB 3.26Å; S207-V211 WeakPolarHBondContact O-CB 3.38Å; S207-V211 VanDerWaalsContact O-CG2 3.23Å; S207-V211 WeakPolarHBondContact O-CG2 3.41Å; S207-V211 PolarHBondContact O-N 3.48Å |
| 208 | I | 65.5 | Low | 68.7 | Low | 60 Ų | 60 | 75.6 Ų | 75.6 | 31% | 0.308 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | -178.8 | -152 | 175.1 | 0 | 0 | 0 | 111.6 | S204 V211 C212 N308 | S204-I208 WeakPolarHBondContact O-CA 3.19Å; S204-I208 WeakPolarHBondContact O-CB 3.26Å; S204-I208 WeakPolarHBondContact O-CG2 3.43Å; S204-I208 PolarHBondContact O-N 2.85Å; I208-V211 PolarHBondContact O-N 2.86Å; I208-C212 WeakPolarHBondContact O-CB 3.26Å; I208-C212 PolarHBondContact O-N 3.15Å; I208-C212 PolarHBondContact O-SG 3.3Å; I208-N308 HydrophobicContact CD1-CB 4.23Å |
| 209 | V | 68.5 | Low | 67.3 | Low | 96 Ų | 96 | 74.8 Ų | 74.8 | 58% | 0.582 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.6 | -41.2 | 177.4 | 171 | 0 | 0 | 0 | 0 | 111.1 | V205 S207 S213 | V205-V209 VanDerWaalsContact O-CB 3.32Å; V205-V209 WeakPolarHBondContact O-CB 3.48Å; V205-V209 WeakPolarHBondContact O-CG2 3.19Å; V205-V209 PolarHBondContact O-N 2.88Å; V205-V209 VanDerWaalsContact O-N 3.12Å; S207-V209 PolarHBondContact O-N 3.33Å; V209-S213 VanDerWaalsContact O-CB 3.23Å; V209-S213 WeakPolarHBondContact O-CB 3.45Å; V209-S213 PolarHBondContact O-N 2.87Å |
| 210 | S | 64.6 | Low | 66.2 | Low | 49 Ų | 49 | 75 Ų | 75 | 34% | 0.343 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.1 | -42.9 | 175.9 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | C206 S207 S213 Y214 | C206-S210 WeakPolarHBondContact O-CB 3.23Å; C206-S210 PolarHBondContact O-N 2.78Å; C206-S210 PolarHBondContact O-OG 3.08Å; S207-S210 WeakPolarHBondContact CA-OG 3.3Å; S207-S210 PolarHBondContact O-N 2.88Å; S207-S210 PolarHBondContact O-OG 2.81Å; S210-S213 CarbonylContact O-C 3.58Å; S210-S213 WeakPolarHBondContact O-CB 3.37Å; S210-S213 PolarHBondContact O-N 3.08Å; S210-Y214 WeakPolarHBondContact O-CD2 3.42Å; S210-Y214 PolarHBondContact O-N 2.79Å |
| 211 | V | 63.3 | Low | 65 | Low | 65 Ų | 65 | 76.9 Ų | 76.9 | 39% | 0.394 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 176 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | S207 I208 S213 Y214 I215 | S207-V211 VanDerWaalsContact O-CB 3.26Å; S207-V211 WeakPolarHBondContact O-CB 3.38Å; S207-V211 VanDerWaalsContact O-CG2 3.23Å; S207-V211 WeakPolarHBondContact O-CG2 3.41Å; S207-V211 PolarHBondContact O-N 3.48Å; I208-V211 PolarHBondContact O-N 2.86Å; V211-S213 VanDerWaalsContact C-N 3.28Å; V211-S213 PolarHBondContact O-N 2.86Å; V211-Y214 PolarHBondContact O-N 2.82Å; V211-I215 HydrophobicContact CG1-CD1 3.68Å; V211-I215 HydrophobicContact CG1-CG1 4.35Å; V211-I215 WeakPolarHBondContact O-CB 3.41Å; V211-I215 VanDerWaalsContact O-CG1 3.28Å; V211-I215 WeakPolarHBondContact O-CG1 3.32Å; V211-I215 PolarHBondContact O-N 3.39Å |
| 212 | C | 50.5 | Low | 64.1 | Low | 73 Ų | 73 | 76.9 Ų | 76.9 | 49% | 0.493 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.7 | -35.6 | 172.2 | -73.6 | 0 | 0 | 0 | 0 | 111.8 | I208 G216 | I208-C212 WeakPolarHBondContact O-CB 3.26Å; I208-C212 PolarHBondContact O-N 3.15Å; I208-C212 PolarHBondContact O-SG 3.3Å; C212-G216 PolarHBondContact O-N 3.38Å |
| 213 | S | 62.1 | Low | 63 | Low | 63 Ų | 63 | 77.3 Ų | 77.3 | 44% | 0.441 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.6 | -47.4 | 172.1 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | V209 S210 V211 I215 G216 L217 | V209-S213 VanDerWaalsContact O-CB 3.23Å; V209-S213 WeakPolarHBondContact O-CB 3.45Å; V209-S213 PolarHBondContact O-N 2.87Å; S210-S213 CarbonylContact O-C 3.58Å; S210-S213 WeakPolarHBondContact O-CB 3.37Å; S210-S213 PolarHBondContact O-N 3.08Å; V211-S213 VanDerWaalsContact C-N 3.28Å; V211-S213 PolarHBondContact O-N 2.86Å; S213-I215 PolarHBondContact O-N 3.4Å; S213-G216 PolarHBondContact O-N 2.93Å; S213-L217 VanDerWaalsContact O-CB 3.28Å; S213-L217 WeakPolarHBondContact O-CB 3.49Å; S213-L217 WeakPolarHBondContact O-CG 3.28Å; S213-L217 PolarHBondContact O-N 3.42Å |
| 214 | Y | 58 | Low | 62.4 | Low | 167 Ų | 167 | 77.7 Ų | 77.7 | 66% | 0.655 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 176.9 | -70.8 | -59 | 0 | 0 | 0 | 113.1 | S210 V211 A218 | S210-Y214 WeakPolarHBondContact O-CD2 3.42Å; S210-Y214 PolarHBondContact O-N 2.79Å; V211-Y214 PolarHBondContact O-N 2.82Å; Y214-A218 VanDerWaalsContact O-CB 3.24Å; Y214-A218 WeakPolarHBondContact O-CB 3.23Å; Y214-A218 PolarHBondContact O-N 3.15Å |
| 215 | I | 58.8 | Low | 62 | Low | 93 Ų | 93 | 80.5 Ų | 80.5 | 48% | 0.477 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 174.8 | -67.2 | 168.5 | 0 | 0 | 0 | 110.2 | V211 S213 A218 L219 | V211-I215 HydrophobicContact CG1-CD1 3.68Å; V211-I215 HydrophobicContact CG1-CG1 4.35Å; V211-I215 WeakPolarHBondContact O-CB 3.41Å; V211-I215 VanDerWaalsContact O-CG1 3.28Å; V211-I215 WeakPolarHBondContact O-CG1 3.32Å; V211-I215 PolarHBondContact O-N 3.39Å; S213-I215 PolarHBondContact O-N 3.4Å; I215-A218 PolarHBondContact O-N 3.4Å; I215-L219 HydrophobicContact CG2-CD1 3.91Å; I215-L219 HydrophobicContact CG2-CG 4.34Å; I215-L219 WeakPolarHBondContact O-CB 3.34Å; I215-L219 VanDerWaalsContact O-CG 3.28Å; I215-L219 WeakPolarHBondContact O-CG 3.48Å; I215-L219 PolarHBondContact O-N 3Å |
| 216 | G | 51.5 | Low | 61.7 | Low | 29 Ų | 29 | 80.6 Ų | 80.6 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C212 S213 L219 L220 | C212-G216 PolarHBondContact O-N 3.38Å; S213-G216 PolarHBondContact O-N 2.93Å; G216-L219 PolarHBondContact O-N 2.91Å; G216-L220 WeakPolarHBondContact O-CB 3.37Å; G216-L220 VanDerWaalsContact O-CG 3.28Å; G216-L220 WeakPolarHBondContact O-CG 3.35Å; G216-L220 PolarHBondContact O-N 3.39Å |
| 217 | L | 65 | Low | 61.8 | Low | 101 Ų | 101 | 85.6 Ų | 85.6 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 174.4 | -73.2 | 168.9 | 0 | 0 | 0 | 112 | S213 S221 | S213-L217 VanDerWaalsContact O-CB 3.28Å; S213-L217 WeakPolarHBondContact O-CB 3.49Å; S213-L217 WeakPolarHBondContact O-CG 3.28Å; S213-L217 PolarHBondContact O-N 3.42Å; L217-S221 WeakPolarHBondContact O-CB 3.39Å; L217-S221 PolarHBondContact O-N 3.39Å |
| 218 | A | 55.4 | Low | 61.3 | Low | 53 Ų | 53 | 87.7 Ų | 87.7 | 44% | 0.438 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y214 I215 S221 V222 | Y214-A218 VanDerWaalsContact O-CB 3.24Å; Y214-A218 WeakPolarHBondContact O-CB 3.23Å; Y214-A218 PolarHBondContact O-N 3.15Å; I215-A218 PolarHBondContact O-N 3.4Å; A218-S221 PolarHBondContact O-N 2.76Å; A218-V222 WeakPolarHBondContact O-CB 3.06Å; A218-V222 VanDerWaalsContact O-CG2 3.3Å; A218-V222 WeakPolarHBondContact O-CG2 3.11Å; A218-V222 PolarHBondContact O-N 3.47Å |
| 219 | L | 56.1 | Low | 61.3 | Low | 108 Ų | 108 | 90.1 Ų | 90.1 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.8 | -41.1 | 176.4 | -70.7 | 173 | 0 | 0 | 0 | 112 | I215 G216 T223 | I215-L219 HydrophobicContact CG2-CD1 3.91Å; I215-L219 HydrophobicContact CG2-CG 4.34Å; I215-L219 WeakPolarHBondContact O-CB 3.34Å; I215-L219 VanDerWaalsContact O-CG 3.28Å; I215-L219 WeakPolarHBondContact O-CG 3.48Å; I215-L219 PolarHBondContact O-N 3Å; G216-L219 PolarHBondContact O-N 2.91Å; L219-T223 VanDerWaalsContact O-CB 3.25Å; L219-T223 WeakPolarHBondContact O-CB 3.27Å; L219-T223 PolarHBondContact O-N 2.83Å; L219-T223 PolarHBondContact O-OG1 3.39Å |
| 220 | L | 59.7 | Low | 60.8 | Low | 105 Ų | 105 | 89.1 Ų | 89.1 | 55% | 0.55 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 172.4 | -74.2 | 177.7 | 0 | 0 | 0 | 111.2 | G216 T223 I224 | G216-L220 WeakPolarHBondContact O-CB 3.37Å; G216-L220 VanDerWaalsContact O-CG 3.28Å; G216-L220 WeakPolarHBondContact O-CG 3.35Å; G216-L220 PolarHBondContact O-N 3.39Å; L220-T223 PolarHBondContact O-N 2.81Å; L220-I224 WeakPolarHBondContact O-CB 3.18Å; L220-I224 WeakPolarHBondContact O-CD1 3.31Å; L220-I224 WeakPolarHBondContact O-CG1 3.5Å; L220-I224 PolarHBondContact O-N 3.26Å |
| 221 | S | 58.1 | Low | 60.7 | Low | 66 Ų | 66 | 88.4 Ų | 88.4 | 46% | 0.462 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.1 | -51.7 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | L217 A218 T223 I224 C225 | L217-S221 WeakPolarHBondContact O-CB 3.39Å; L217-S221 PolarHBondContact O-N 3.39Å; A218-S221 PolarHBondContact O-N 2.76Å; S221-T223 VanDerWaalsContact C-N 3.3Å; S221-T223 PolarHBondContact O-N 3.09Å; S221-I224 PolarHBondContact O-N 3.3Å; S221-C225 VanDerWaalsContact O-CB 3.27Å; S221-C225 WeakPolarHBondContact O-CB 3.26Å; S221-C225 PolarHBondContact O-N 2.82Å; S221-C225 PolarHBondContact O-SG 3.5Å |
| 222 | V | 60.2 | Low | 60.9 | Low | 99 Ų | 99 | 89.7 Ų | 89.7 | 60% | 0.6 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.7 | -39.8 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | A218 F226 | A218-V222 WeakPolarHBondContact O-CB 3.06Å; A218-V222 VanDerWaalsContact O-CG2 3.3Å; A218-V222 WeakPolarHBondContact O-CG2 3.11Å; A218-V222 PolarHBondContact O-N 3.47Å; V222-F226 WeakPolarHBondContact O-CB 3.43Å; V222-F226 PolarHBondContact O-N 2.83Å |
| 223 | T | 56.7 | Low | 61.6 | Low | 76 Ų | 76 | 88.7 Ų | 88.7 | 47% | 0.466 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.4 | -42.4 | 178.1 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | L219 L220 S221 F226 R227 | L219-T223 VanDerWaalsContact O-CB 3.25Å; L219-T223 WeakPolarHBondContact O-CB 3.27Å; L219-T223 PolarHBondContact O-N 2.83Å; L219-T223 PolarHBondContact O-OG1 3.39Å; L220-T223 PolarHBondContact O-N 2.81Å; S221-T223 VanDerWaalsContact C-N 3.3Å; S221-T223 PolarHBondContact O-N 3.09Å; T223-F226 PolarHBondContact O-N 3.14Å; T223-R227 WeakPolarHBondContact O-CB 3.39Å; T223-R227 WeakPolarHBondContact O-CG 3.48Å; T223-R227 PolarHBondContact O-N 2.65Å |
| 224 | I | 63.4 | Low | 61.2 | Low | 96 Ų | 96 | 91.4 Ų | 91.4 | 49% | 0.492 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68 | -47.2 | 177.5 | -69.2 | 163 | 0 | 0 | 0 | 109.9 | L220 S221 F226 R227 I228 | L220-I224 WeakPolarHBondContact O-CB 3.18Å; L220-I224 WeakPolarHBondContact O-CD1 3.31Å; L220-I224 WeakPolarHBondContact O-CG1 3.5Å; L220-I224 PolarHBondContact O-N 3.26Å; S221-I224 PolarHBondContact O-N 3.3Å; I224-F226 VanDerWaalsContact C-N 3.32Å; I224-F226 PolarHBondContact O-N 2.77Å; I224-R227 WeakPolarHBondContact O-CB 3.19Å; I224-R227 PolarHBondContact O-N 2.87Å; I224-I228 HydrophobicContact CG2-CD1 3.69Å; I224-I228 HydrophobicContact CG2-CG1 4.43Å; I224-I228 WeakPolarHBondContact O-CB 3.47Å; I224-I228 VanDerWaalsContact O-CG1 3.29Å; I224-I228 WeakPolarHBondContact O-CG1 3.39Å; I224-I228 PolarHBondContact O-N 2.73Å |
| 225 | C | 67.9 | Low | 61.1 | Low | 73 Ų | 73 | 86.3 Ų | 86.3 | 49% | 0.493 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 173.8 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | S221 I228 Y229 | S221-C225 VanDerWaalsContact O-CB 3.27Å; S221-C225 WeakPolarHBondContact O-CB 3.26Å; S221-C225 PolarHBondContact O-N 2.82Å; S221-C225 PolarHBondContact O-SG 3.5Å; C225-I228 PolarHBondContact O-N 3.32Å; C225-Y229 WeakPolarHBondContact O-CB 3.4Å; C225-Y229 PolarHBondContact O-N 3Å |
| 226 | F | 63.4 | Low | 61.1 | Low | 85 Ų | 85 | 87.2 Ų | 87.2 | 37% | 0.373 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 175.5 | -178.8 | -98.3 | 0 | 0 | 0 | 112.5 | V222 T223 I224 K230 F282 | V222-F226 WeakPolarHBondContact O-CB 3.43Å; V222-F226 PolarHBondContact O-N 2.83Å; T223-F226 PolarHBondContact O-N 3.14Å; I224-F226 VanDerWaalsContact C-N 3.32Å; I224-F226 PolarHBondContact O-N 2.77Å; F226-K230 HydrophobicContact CD1-CG 4.19Å; F226-K230 HydrophobicContact CD2-CG 4.33Å; F226-K230 HydrophobicContact CE1-CG 3.78Å; F226-K230 HydrophobicContact CE2-CD 4.27Å; F226-K230 HydrophobicContact CE2-CG 3.94Å; F226-K230 HydrophobicContact CG-CG 4.45Å; F226-K230 HydrophobicContact CZ-CD 3.98Å; F226-K230 HydrophobicContact CZ-CG 3.66Å; F226-K230 VanDerWaalsContact O-CB 3.3Å; F226-K230 WeakPolarHBondContact O-CB 3.4Å; F226-K230 VanDerWaalsContact O-CG 3.29Å; F226-K230 WeakPolarHBondContact O-CG 3.14Å; F226-K230 PolarHBondContact O-N 3.3Å; F226-F282 HydrophobicContact CE1-CD1 4.42Å; F226-F282 AromaticContact CE1-CE1 3.65Å; F226-F282 HydrophobicContact CE1-CE1 3.65Å; F226-F282 HydrophobicContact CE1-CZ 4.41Å; F226-F282 AromaticContact CZ-CD1 3.94Å; F226-F282 HydrophobicContact CZ-CD1 3.94Å; F226-F282 AromaticContact CZ-CE1 3.63Å; F226-F282 HydrophobicContact CZ-CE1 3.63Å |
| 227 | R | 69.9 | Low | 61.2 | Low | 191 Ų | 191 | 93 Ų | 93 | 72% | 0.721 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 174 | -76.6 | -79.6 | -177.9 | 153.1 | 0.3 | 111.6 | T223 I224 G231 | T223-R227 WeakPolarHBondContact O-CB 3.39Å; T223-R227 WeakPolarHBondContact O-CG 3.48Å; T223-R227 PolarHBondContact O-N 2.65Å; I224-R227 WeakPolarHBondContact O-CB 3.19Å; I224-R227 PolarHBondContact O-N 2.87Å; R227-G231 PolarHBondContact O-N 3.27Å |
| 228 | I | 68.4 | Low | 60.6 | Low | 93 Ų | 93 | 97 Ų | 97 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -49.4 | 177.1 | -67.8 | 167.1 | 0 | 0 | 0 | 110.1 | I224 C225 K230 G231 I232 | I224-I228 HydrophobicContact CG2-CD1 3.69Å; I224-I228 HydrophobicContact CG2-CG1 4.43Å; I224-I228 WeakPolarHBondContact O-CB 3.47Å; I224-I228 VanDerWaalsContact O-CG1 3.29Å; I224-I228 WeakPolarHBondContact O-CG1 3.39Å; I224-I228 PolarHBondContact O-N 2.73Å; C225-I228 PolarHBondContact O-N 3.32Å; I228-K230 PolarHBondContact O-N 3.48Å; I228-G231 PolarHBondContact O-N 3.44Å; I228-G231 VanDerWaalsContact O-N 3.17Å; I228-I232 HydrophobicContact CG2-CD1 3.57Å; I228-I232 HydrophobicContact CG2-CG1 4.27Å; I228-I232 WeakPolarHBondContact O-CB 3.32Å; I228-I232 VanDerWaalsContact O-CG1 3.3Å; I228-I232 WeakPolarHBondContact O-CG1 3.41Å; I228-I232 PolarHBondContact O-N 2.85Å |
| 229 | Y | 65.4 | Low | 60.2 | Low | 112 Ų | 112 | 99.3 Ų | 99.3 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -55.3 | -49 | 176.2 | 176.5 | -100.8 | 0 | 0 | 0 | 111.7 | C225 I232 L233 | C225-Y229 WeakPolarHBondContact O-CB 3.4Å; C225-Y229 PolarHBondContact O-N 3Å; Y229-I232 PolarHBondContact O-N 3.44Å; Y229-L233 HydrophobicContact CE1-CD2 4.12Å; Y229-L233 WeakPolarHBondContact O-CB 3.37Å; Y229-L233 PolarHBondContact O-N 3.26Å |
| 230 | K | 59.2 | Low | 59.9 | Low | 74 Ų | 74 | 101.3 Ų | 101.3 | 32% | 0.322 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | 176.9 | -72.5 | -74.9 | -70.7 | -178.4 | 0 | 112.5 | F226 I228 L233 Q234 | F226-K230 HydrophobicContact CD1-CG 4.19Å; F226-K230 HydrophobicContact CD2-CG 4.33Å; F226-K230 HydrophobicContact CE1-CG 3.78Å; F226-K230 HydrophobicContact CE2-CD 4.27Å; F226-K230 HydrophobicContact CE2-CG 3.94Å; F226-K230 HydrophobicContact CG-CG 4.45Å; F226-K230 HydrophobicContact CZ-CD 3.98Å; F226-K230 HydrophobicContact CZ-CG 3.66Å; F226-K230 VanDerWaalsContact O-CB 3.3Å; F226-K230 WeakPolarHBondContact O-CB 3.4Å; F226-K230 VanDerWaalsContact O-CG 3.29Å; F226-K230 WeakPolarHBondContact O-CG 3.14Å; F226-K230 PolarHBondContact O-N 3.3Å; I228-K230 PolarHBondContact O-N 3.48Å; K230-L233 PolarHBondContact O-N 2.74Å; K230-Q234 VanDerWaalsContact O-CB 3.29Å; K230-Q234 WeakPolarHBondContact O-CB 3.05Å; K230-Q234 VanDerWaalsContact O-CG 3.24Å; K230-Q234 WeakPolarHBondContact O-CG 3.45Å; K230-Q234 PolarHBondContact O-N 3.07Å |
| 231 | G | 62.5 | Low | 59.2 | Low | 34 Ų | 34 | 104.4 Ų | 104.4 | 35% | 0.351 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R227 I228 Q234 A235 | R227-G231 PolarHBondContact O-N 3.27Å; I228-G231 PolarHBondContact O-N 3.44Å; I228-G231 VanDerWaalsContact O-N 3.17Å; G231-Q234 PolarHBondContact O-N 3.43Å; G231-A235 WeakPolarHBondContact O-CB 3.46Å; G231-A235 PolarHBondContact O-N 2.92Å |
| 232 | I | 66.6 | Low | 58.5 | Low | 92 Ų | 92 | 104.3 Ų | 104.3 | 47% | 0.472 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.6 | -47 | 173.4 | -69.3 | 171.1 | 0 | 0 | 0 | 110.3 | I228 Y229 Q234 A235 I236 | I228-I232 HydrophobicContact CG2-CD1 3.57Å; I228-I232 HydrophobicContact CG2-CG1 4.27Å; I228-I232 WeakPolarHBondContact O-CB 3.32Å; I228-I232 VanDerWaalsContact O-CG1 3.3Å; I228-I232 WeakPolarHBondContact O-CG1 3.41Å; I228-I232 PolarHBondContact O-N 2.85Å; Y229-I232 PolarHBondContact O-N 3.44Å; I232-Q234 VanDerWaalsContact C-N 3.3Å; I232-Q234 PolarHBondContact O-N 2.69Å; I232-A235 PolarHBondContact O-N 2.96Å; I232-A235 VanDerWaalsContact O-N 3.11Å; I232-I236 HydrophobicContact CG2-CD1 3.54Å; I232-I236 HydrophobicContact CG2-CG1 4.24Å; I232-I236 WeakPolarHBondContact O-CB 3.5Å; I232-I236 VanDerWaalsContact O-CG1 3.3Å; I232-I236 WeakPolarHBondContact O-CG1 3.44Å; I232-I236 PolarHBondContact O-N 2.93Å |
| 233 | L | 65.3 | Low | 58.1 | Low | 53 Ų | 53 | 105.8 Ų | 105.8 | 28% | 0.277 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -36.6 | 179.9 | -160.4 | 69.9 | 0 | 0 | 0 | 111.8 | Y229 K230 Q237 | Y229-L233 HydrophobicContact CE1-CD2 4.12Å; Y229-L233 WeakPolarHBondContact O-CB 3.37Å; Y229-L233 PolarHBondContact O-N 3.26Å; K230-L233 PolarHBondContact O-N 2.74Å; L233-Q237 VanDerWaalsContact O-CB 3.32Å; L233-Q237 WeakPolarHBondContact O-CB 3.39Å; L233-Q237 VanDerWaalsContact O-CG 3.24Å; L233-Q237 WeakPolarHBondContact O-CG 3.15Å; L233-Q237 PolarHBondContact O-N 3.27Å |
| 234 | Q | 53.1 | Low | 57.7 | Low | 119 Ų | 119 | 106.9 Ų | 106.9 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.1 | -35 | 172.3 | -77.6 | 176.9 | -29 | 0 | 0 | 113.1 | K230 G231 I232 K238 | K230-Q234 VanDerWaalsContact O-CB 3.29Å; K230-Q234 WeakPolarHBondContact O-CB 3.05Å; K230-Q234 VanDerWaalsContact O-CG 3.24Å; K230-Q234 WeakPolarHBondContact O-CG 3.45Å; K230-Q234 PolarHBondContact O-N 3.07Å; G231-Q234 PolarHBondContact O-N 3.43Å; I232-Q234 VanDerWaalsContact C-N 3.3Å; I232-Q234 PolarHBondContact O-N 2.69Å; Q234-K238 WeakPolarHBondContact O-CB 3.48Å; Q234-K238 WeakPolarHBondContact O-CG 3.31Å; Q234-K238 PolarHBondContact O-N 3.24Å |
| 235 | A | 57.5 | Low | 56.9 | Low | 60 Ų | 60 | 108.2 Ų | 108.2 | 50% | 0.496 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.9 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G231 I232 K238 | G231-A235 WeakPolarHBondContact O-CB 3.46Å; G231-A235 PolarHBondContact O-N 2.92Å; I232-A235 PolarHBondContact O-N 2.96Å; I232-A235 VanDerWaalsContact O-N 3.11Å; A235-K238 PolarHBondContact O-N 3.43Å |
| 236 | I | 58.5 | Low | 55.9 | Low | 113 Ų | 113 | 111.9 Ų | 111.9 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66 | -38 | 178 | -67.2 | 170.8 | 0 | 0 | 0 | 111.2 | I232 K238 | I232-I236 HydrophobicContact CG2-CD1 3.54Å; I232-I236 HydrophobicContact CG2-CG1 4.24Å; I232-I236 WeakPolarHBondContact O-CB 3.5Å; I232-I236 VanDerWaalsContact O-CG1 3.3Å; I232-I236 WeakPolarHBondContact O-CG1 3.44Å; I232-I236 PolarHBondContact O-N 2.93Å; I236-K238 PolarHBondContact O-N 3.12Å |
| 237 | Q | 53.9 | Low | 55.1 | Low | 151 Ų | 151 | 115 Ų | 115 | 71% | 0.706 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 0.4 | 175.9 | -71.1 | 176.7 | -27.2 | 0 | 0 | 114.3 | L233 | L233-Q237 VanDerWaalsContact O-CB 3.32Å; L233-Q237 WeakPolarHBondContact O-CB 3.39Å; L233-Q237 VanDerWaalsContact O-CG 3.24Å; L233-Q237 WeakPolarHBondContact O-CG 3.15Å; L233-Q237 PolarHBondContact O-N 3.27Å |
| 238 | K | 51 | Low | 53.7 | Low | 185 Ų | 185 | 113.1 Ų | 113.1 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -10.1 | 178 | -82.2 | -81.1 | -173.2 | 170.1 | 0 | 113.8 | Q234 A235 I236 | Q234-K238 WeakPolarHBondContact O-CB 3.48Å; Q234-K238 WeakPolarHBondContact O-CG 3.31Å; Q234-K238 PolarHBondContact O-N 3.24Å; A235-K238 PolarHBondContact O-N 3.43Å; I236-K238 PolarHBondContact O-N 3.12Å |
| 239 | S | 47.4 | Very low | 52.7 | Low | 100 Ų | 100 | 113.6 Ų | 113.6 | 70% | 0.699 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -98.2 | 112.7 | 167.7 | -68.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 240 | D | 49.3 | Very low | 51.8 | Low | 150 Ų | 150 | 115.2 Ų | 115.2 | 80% | 0.802 | 60% | 0.603 | S | S | * | * | trans | -73.6 | 171.7 | -176.6 | -146.2 | -12 | 0 | 0 | 0 | 112.6 | ||||
| 241 | E | 45.8 | Very low | 51 | Low | 171 Ų | 171 | 117.5 Ų | 117.5 | 80% | 0.799 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 76.5 | 104.8 | 168.9 | -130.5 | 66.2 | -149.9 | 0 | 0 | 118.5 | ||
| 242 | G | 42.3 | Very low | 50.1 | Low | 63 Ų | 63 | 122 Ų | 122 | 65% | 0.649 | 63% | 0.626 | S | S | * | * | trans | 97 | 79.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | P244 | G242-P244 WeakPolarHBondContact O-CD 3.21Å; G242-P244 WeakPolarHBondContact O-CG 3.46Å; G242-P244 VanDerWaalsContact O-N 3.13Å | ||
| 243 | H | 52.3 | Low | 48.8 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 61% | 0.606 | 64% | 0.642 | S | S | * | * | trans | -46.8 | 101.6 | 177.6 | -171.4 | 13.1 | 0 | 0 | 0 | 115.7 | K246 | H243-K246 WeakPolarHBondContact CE1-CA 3.27Å; H243-K246 WeakPolarHBondContact CE1-CB 3.44Å; H243-K246 PolarHBondContact CE1-N 2.77Å; H243-K246 VanDerWaalsContact CE1-N 3.28Å; H243-K246 PolarHBondContact ND1-N 3.49Å; H243-K246 WeakPolarHBondContact NE2-CB 3.21Å; H243-K246 WeakPolarHBondContact NE2-CG 3.3Å | ||
| 244 | P | 48.8 | Very low | 47.3 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 64% | 0.643 | 66% | 0.656 | S | S | * | * | trans | -105.2 | -19 | 177 | 15.3 | 5.9 | 0 | 0 | 0 | 112.7 | G242 | G242-P244 WeakPolarHBondContact O-CD 3.21Å; G242-P244 WeakPolarHBondContact O-CG 3.46Å; G242-P244 VanDerWaalsContact O-N 3.13Å | ||
| 245 | F | 46.2 | Very low | 46.5 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 54% | 0.539 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.2 | 15.7 | -170.8 | -80.5 | -95.5 | 0 | 0 | 0 | 113.8 | L247 Y248 L249 | F245-L247 PolarHBondContact O-N 3.33Å; F245-Y248 HydrophobicContact CD1-CD2 4.37Å; F245-Y248 HydrophobicContact CD1-CG 4.03Å; F245-Y248 HydrophobicContact CE1-CD2 4.43Å; F245-Y248 HydrophobicContact CE1-CG 4.23Å; F245-Y248 CarbonylContact O-C 3.53Å; F245-Y248 PolarHBondContact O-N 3.02Å; F245-L249 WeakPolarHBondContact O-CB 3.21Å; F245-L249 PolarHBondContact O-N 2.84Å |
| 246 | K | 47 | Very low | 45.7 | Very low | 151 Ų | 151 | 127 Ų | 127 | 66% | 0.657 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -58.1 | -35 | 173.4 | -155 | 174.2 | -177.3 | -179.8 | 0 | 111.8 | H243 Y248 | H243-K246 WeakPolarHBondContact CE1-CA 3.27Å; H243-K246 WeakPolarHBondContact CE1-CB 3.44Å; H243-K246 PolarHBondContact CE1-N 2.77Å; H243-K246 VanDerWaalsContact CE1-N 3.28Å; H243-K246 PolarHBondContact ND1-N 3.49Å; H243-K246 WeakPolarHBondContact NE2-CB 3.21Å; H243-K246 WeakPolarHBondContact NE2-CG 3.3Å; K246-Y248 VanDerWaalsContact C-N 3.3Å; K246-Y248 PolarHBondContact O-N 3.29Å |
| 247 | L | 46.2 | Very low | 44.9 | Very low | 149 Ų | 149 | 124.3 Ų | 124.3 | 78% | 0.78 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -78.4 | -11.8 | -180 | -144.2 | 139.6 | 0 | 0 | 0 | 113.3 | F245 | F245-L247 PolarHBondContact O-N 3.33Å |
| 248 | Y | 42.1 | Very low | 44.4 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 60% | 0.596 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -114 | -21.5 | 178.9 | -92.8 | -89.6 | 0 | 0 | 0 | 113.2 | F245 K246 D250 Q251 | F245-Y248 HydrophobicContact CD1-CD2 4.37Å; F245-Y248 HydrophobicContact CD1-CG 4.03Å; F245-Y248 HydrophobicContact CE1-CD2 4.43Å; F245-Y248 HydrophobicContact CE1-CG 4.23Å; F245-Y248 CarbonylContact O-C 3.53Å; F245-Y248 PolarHBondContact O-N 3.02Å; K246-Y248 VanDerWaalsContact C-N 3.3Å; K246-Y248 PolarHBondContact O-N 3.29Å; Y248-D250 VanDerWaalsContact C-N 3.34Å; Y248-Q251 WeakPolarHBondContact O-CA 3.27Å; Y248-Q251 WeakPolarHBondContact O-CB 3.29Å; Y248-Q251 PolarHBondContact O-N 3.47Å |
| 249 | L | 45.9 | Very low | 44.1 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 54% | 0.539 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -72.7 | -26.6 | 172.3 | -81.2 | 164.5 | 0 | 0 | 0 | 112.5 | F245 Q251 | F245-L249 WeakPolarHBondContact O-CB 3.21Å; F245-L249 PolarHBondContact O-N 2.84Å; L249-Q251 PolarHBondContact O-N 2.77Å |
| 250 | D | 46.4 | Very low | 44.1 | Very low | 147 Ų | 147 | 118.4 Ų | 118.4 | 79% | 0.786 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -11.9 | 163.7 | -97.8 | -27.5 | 0 | 0 | 0 | 112.4 | Y248 | Y248-D250 VanDerWaalsContact C-N 3.34Š|
| 251 | Q | 43.7 | Very low | 44 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 57% | 0.565 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -4.1 | -174.6 | -161.2 | 56.7 | 87.6 | 0 | 0 | 114.1 | Y248 L249 V253 | Y248-Q251 WeakPolarHBondContact O-CA 3.27Å; Y248-Q251 WeakPolarHBondContact O-CB 3.29Å; Y248-Q251 PolarHBondContact O-N 3.47Å; L249-Q251 PolarHBondContact O-N 2.77Å; Q251-V253 VanDerWaalsContact C-N 3.33Å; Q251-V253 PolarHBondContact O-N 3.2Å |
| 252 | E | 42.1 | Very low | 44.2 | Very low | 129 Ų | 129 | 119.3 Ų | 119.3 | 60% | 0.603 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -86.7 | 13 | 175.5 | -70.9 | -158.5 | 151.2 | 0 | 0 | 114.8 | ||
| 253 | V | 40.1 | Very low | 44.5 | Very low | 132 Ų | 132 | 125.2 Ų | 125.2 | 80% | 0.8 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -125.5 | 47.9 | 173.6 | -160.9 | 0 | 0 | 0 | 0 | 112.1 | Q251 | Q251-V253 VanDerWaalsContact C-N 3.33Å; Q251-V253 PolarHBondContact O-N 3.2Å |
| 254 | A | 33.9 | Very low | 44.3 | Very low | 69 Ų | 69 | 119.7 Ų | 119.7 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | trans | -130.7 | 29.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S256 | A254-S256 PolarHBondContact O-N 3.1Š| ||
| 255 | L | 36.8 | Very low | 44.2 | Very low | 170 Ų | 170 | 120.9 Ų | 120.9 | 89% | 0.89 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -70.5 | 96.2 | 177.6 | -106.9 | 173 | 0 | 0 | 0 | 111.5 | ||
| 256 | S | 40.3 | Very low | 44.5 | Very low | 57 Ų | 57 | 117.7 Ų | 117.7 | 40% | 0.399 | 62% | 0.615 | S | S | . | * | trans | 71.1 | 74.7 | 167.6 | -148.8 | 0 | 0 | 0 | 0 | 117.7 | A254 D258 L259 V260 | A254-S256 PolarHBondContact O-N 3.1Å; S256-D258 VanDerWaalsContact C-N 3.26Å; S256-L259 WeakPolarHBondContact OG-CB 3.23Å; S256-L259 PolarHBondContact OG-N 3.17Å; S256-V260 VanDerWaalsContact O-CG2 3.27Å; S256-V260 WeakPolarHBondContact O-CG2 3.13Å | ||
| 257 | A | 42.1 | Very low | 44.8 | Very low | 57 Ų | 57 | 116 Ų | 116 | 47% | 0.471 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -70.3 | -20.5 | 156 | 0 | 0 | 0 | 0 | 0 | 113 | V260 H261 | A257-V260 WeakPolarHBondContact O-CB 3.47Å; A257-V260 WeakPolarHBondContact O-CG1 3.4Å; A257-V260 PolarHBondContact O-N 2.8Å; A257-H261 PolarHBondContact O-CD2 3.42Å |
| 258 | D | 43.6 | Very low | 45.1 | Very low | 143 Ų | 143 | 111.8 Ų | 111.8 | 77% | 0.765 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -29.2 | -176.3 | -76.9 | -77.5 | 0 | 0 | 0 | 115.3 | S256 V260 | S256-D258 VanDerWaalsContact C-N 3.26Å; D258-V260 PolarHBondContact O-N 3.46Å |
| 259 | L | 43.6 | Very low | 45.7 | Very low | 149 Ų | 149 | 111.5 Ų | 111.5 | 78% | 0.78 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -10.6 | 168.7 | -157.4 | 66.7 | 0 | 0 | 0 | 111.7 | S256 | S256-L259 WeakPolarHBondContact OG-CB 3.23Å; S256-L259 PolarHBondContact OG-N 3.17Å |
| 260 | V | 48.8 | Very low | 46.1 | Very low | 20 Ų | 20 | 113.4 Ų | 113.4 | 12% | 0.121 | 60% | 0.598 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | -40.2 | -170.6 | 128.5 | 0 | 0 | 0 | 0 | 111.8 | S256 A257 D258 K262 Y263 S264 L268 | S256-V260 VanDerWaalsContact O-CG2 3.27Å; S256-V260 WeakPolarHBondContact O-CG2 3.13Å; A257-V260 WeakPolarHBondContact O-CB 3.47Å; A257-V260 WeakPolarHBondContact O-CG1 3.4Å; A257-V260 PolarHBondContact O-N 2.8Å; D258-V260 PolarHBondContact O-N 3.46Å; V260-K262 PolarHBondContact O-N 2.97Å; V260-Y263 PolarHBondContact O-N 3.43Å; V260-S264 VanDerWaalsContact CG1-CB 3.45Å; V260-S264 WeakPolarHBondContact O-CA 3.23Å; V260-S264 WeakPolarHBondContact O-CB 3.5Å; V260-S264 PolarHBondContact O-N 3.25Å; V260-S264 PolarHBondContact O-OG 2.87Å; V260-L268 HydrophobicContact CG2-CB 4.42Å; V260-L268 HydrophobicContact CG2-CD1 3.67Å; V260-L268 HydrophobicContact CG2-CD2 3.41Å; V260-L268 VanDerWaalsContact CG2-CD2 3.41Å; V260-L268 HydrophobicContact CG2-CG 4.01Å |
| 261 | H | 45.3 | Very low | 46.6 | Very low | 153 Ų | 153 | 110.7 Ų | 110.7 | 71% | 0.708 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 2.6 | -173 | -69.8 | -48.6 | 0 | 0 | 0 | 117.7 | A257 | A257-H261 PolarHBondContact O-CD2 3.42Š|
| 262 | K | 50.1 | Low | 47.3 | Very low | 187 Ų | 187 | 108.9 Ų | 108.9 | 81% | 0.813 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | -8.6 | 173 | -153.2 | 162.7 | -174.7 | 171.7 | 0 | 115.8 | V260 | V260-K262 PolarHBondContact O-N 2.97Š|
| 263 | Y | 48.9 | Very low | 48.3 | Very low | 188 Ų | 188 | 110.5 Ų | 110.5 | 74% | 0.737 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.8 | 11 | -175.8 | -84 | -78.2 | 0 | 0 | 0 | 114.7 | V260 | V260-Y263 PolarHBondContact O-N 3.43Š|
| 264 | S | 48 | Very low | 49.1 | Very low | 15 Ų | 15 | 107 Ų | 107 | 11% | 0.105 | 56% | 0.557 | C | S | . | * | trans | -73.1 | -68 | -161.5 | 48.2 | 0 | 0 | 0 | 0 | 117.9 | V260 G266 I267 L268 | V260-S264 VanDerWaalsContact CG1-CB 3.45Å; V260-S264 WeakPolarHBondContact O-CA 3.23Å; V260-S264 WeakPolarHBondContact O-CB 3.5Å; V260-S264 PolarHBondContact O-N 3.25Å; V260-S264 PolarHBondContact O-OG 2.87Å; S264-G266 VanDerWaalsContact C-N 3.34Å; S264-G266 PolarHBondContact O-N 3.43Å; S264-G266 VanDerWaalsContact O-N 3.09Å; S264-I267 PolarHBondContact O-N 2.79Å; S264-L268 WeakPolarHBondContact O-CB 3.42Å; S264-L268 PolarHBondContact O-N 3.34Å | ||
| 265 | D | 48.1 | Very low | 50.1 | Low | 123 Ų | 123 | 107.6 Ų | 107.6 | 66% | 0.658 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.4 | -38.1 | -136.1 | -58.1 | -29.5 | 0 | 0 | 0 | 113.1 | E269 | D265-E269 VanDerWaalsContact O-CG 3.3Å; D265-E269 WeakPolarHBondContact O-CG 3.5Å |
| 266 | G | 52.5 | Low | 51.2 | Low | 56 Ų | 56 | 106.3 Ų | 106.3 | 58% | 0.577 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -76.1 | -28 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | S264 K270 | S264-G266 VanDerWaalsContact C-N 3.34Å; S264-G266 PolarHBondContact O-N 3.43Å; S264-G266 VanDerWaalsContact O-N 3.09Å; G266-K270 VanDerWaalsContact O-CG 3.24Å; G266-K270 WeakPolarHBondContact O-CG 2.92Å |
| 267 | I | 52.1 | Low | 51.9 | Low | 116 Ų | 116 | 106.2 Ų | 106.2 | 60% | 0.595 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -93.4 | -41.3 | -174.2 | -62.4 | 176.6 | 0 | 0 | 0 | 110.6 | S264 K270 L271 | S264-I267 PolarHBondContact O-N 2.79Å; I267-K270 PolarHBondContact O-N 3.47Å; I267-L271 WeakPolarHBondContact O-CB 3.12Å; I267-L271 PolarHBondContact O-N 2.81Å |
| 268 | L | 52 | Low | 52.5 | Low | 61 Ų | 61 | 107.3 Ų | 107.3 | 32% | 0.319 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.7 | -37.4 | -176.7 | -152.8 | 87.6 | 0 | 0 | 0 | 112.1 | V260 S264 K270 L271 N272 | V260-L268 HydrophobicContact CG2-CB 4.42Å; V260-L268 HydrophobicContact CG2-CD1 3.67Å; V260-L268 HydrophobicContact CG2-CD2 3.41Å; V260-L268 VanDerWaalsContact CG2-CD2 3.41Å; V260-L268 HydrophobicContact CG2-CG 4.01Å; S264-L268 WeakPolarHBondContact O-CB 3.42Å; S264-L268 PolarHBondContact O-N 3.34Å; L268-K270 VanDerWaalsContact C-N 3.35Å; L268-L271 PolarHBondContact O-N 2.75Å; L268-N272 VanDerWaalsContact O-CB 3.29Å; L268-N272 WeakPolarHBondContact O-CB 3.39Å; L268-N272 VanDerWaalsContact O-CG 3.31Å; L268-N272 PolarHBondContact O-N 2.75Å; L268-N272 PolarHBondContact O-ND2 2.78Å |
| 269 | E | 56.5 | Low | 53.3 | Low | 145 Ų | 145 | 107.6 Ų | 107.6 | 68% | 0.678 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.2 | -45 | 172.1 | -75.4 | -171.8 | 164.5 | 0 | 0 | 111.5 | D265 N272 W273 | D265-E269 VanDerWaalsContact O-CG 3.3Å; D265-E269 WeakPolarHBondContact O-CG 3.5Å; E269-N272 PolarHBondContact O-N 3.39Å; E269-W273 VanDerWaalsContact O-CB 3.25Å; E269-W273 WeakPolarHBondContact O-CB 3.24Å; E269-W273 PolarHBondContact O-N 2.73Å |
| 270 | K | 53.1 | Low | 54 | Low | 143 Ų | 143 | 106.7 Ų | 106.7 | 62% | 0.622 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 176.1 | -67.7 | -65.1 | -178.3 | -164.3 | 0 | 111.8 | G266 I267 L268 T274 | G266-K270 VanDerWaalsContact O-CG 3.24Å; G266-K270 WeakPolarHBondContact O-CG 2.92Å; I267-K270 PolarHBondContact O-N 3.47Å; L268-K270 VanDerWaalsContact C-N 3.35Å; K270-T274 VanDerWaalsContact O-CB 3.26Å; K270-T274 WeakPolarHBondContact O-CB 3.47Å; K270-T274 PolarHBondContact O-N 3.31Å; K270-T274 PolarHBondContact O-OG1 2.83Å |
| 271 | L | 57.4 | Low | 54.3 | Low | 90 Ų | 90 | 107.7 Ų | 107.7 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -48.7 | 177.7 | -160.6 | 92.4 | 0 | 0 | 0 | 111 | I267 L268 W273 T274 I275 | I267-L271 WeakPolarHBondContact O-CB 3.12Å; I267-L271 PolarHBondContact O-N 2.81Å; L268-L271 PolarHBondContact O-N 2.75Å; L271-W273 PolarHBondContact O-N 2.84Å; L271-T274 WeakPolarHBondContact O-CB 3.41Å; L271-T274 PolarHBondContact O-N 2.81Å; L271-I275 HydrophobicContact CD2-CD1 3.87Å; L271-I275 HydrophobicContact CG-CD1 3.88Å; L271-I275 WeakPolarHBondContact O-CB 3.32Å; L271-I275 VanDerWaalsContact O-CG1 3.26Å; L271-I275 WeakPolarHBondContact O-CG1 3.43Å; L271-I275 PolarHBondContact O-N 3.25Å |
| 272 | N | 57.6 | Low | 54.4 | Low | 83 Ų | 83 | 107.3 Ų | 107.3 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 179.9 | -75.4 | -27.6 | 0 | 0 | 0 | 112.2 | L268 E269 K276 | L268-N272 VanDerWaalsContact O-CB 3.29Å; L268-N272 WeakPolarHBondContact O-CB 3.39Å; L268-N272 VanDerWaalsContact O-CG 3.31Å; L268-N272 PolarHBondContact O-N 2.75Å; L268-N272 PolarHBondContact O-ND2 2.78Å; E269-N272 PolarHBondContact O-N 3.39Å; N272-K276 VanDerWaalsContact O-CB 3.28Å; N272-K276 WeakPolarHBondContact O-CB 3.37Å; N272-K276 PolarHBondContact O-N 2.83Å |
| 273 | W | 63.9 | Low | 54.2 | Low | 164 Ų | 164 | 103.9 Ų | 103.9 | 62% | 0.621 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 171 | -179.8 | 82.5 | 0 | 0 | 0 | 111.4 | E269 L271 I275 K276 E277 | E269-W273 VanDerWaalsContact O-CB 3.25Å; E269-W273 WeakPolarHBondContact O-CB 3.24Å; E269-W273 PolarHBondContact O-N 2.73Å; L271-W273 PolarHBondContact O-N 2.84Å; W273-I275 PolarHBondContact O-N 3.28Å; W273-K276 PolarHBondContact O-N 2.78Å; W273-E277 WeakPolarHBondContact O-CB 3.29Å; W273-E277 PolarHBondContact O-N 3.43Å |
| 274 | T | 56 | Low | 54.5 | Low | 59 Ų | 59 | 101.6 Ų | 101.6 | 36% | 0.362 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | K270 L271 K276 E277 L278 | K270-T274 VanDerWaalsContact O-CB 3.26Å; K270-T274 WeakPolarHBondContact O-CB 3.47Å; K270-T274 PolarHBondContact O-N 3.31Å; K270-T274 PolarHBondContact O-OG1 2.83Å; L271-T274 WeakPolarHBondContact O-CB 3.41Å; L271-T274 PolarHBondContact O-N 2.81Å; T274-K276 VanDerWaalsContact C-N 3.31Å; T274-K276 PolarHBondContact O-N 3.48Å; T274-E277 PolarHBondContact O-N 3.2Å; T274-L278 HydrophobicContact CG2-CD1 3.97Å; T274-L278 WeakPolarHBondContact O-CB 3.11Å; T274-L278 WeakPolarHBondContact O-CD1 3.33Å; T274-L278 PolarHBondContact O-N 3.25Å |
| 275 | I | 55.7 | Low | 54.6 | Low | 81 Ų | 81 | 108.7 Ų | 108.7 | 42% | 0.415 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.2 | -34.9 | 177.1 | -69.1 | 163.8 | 0 | 0 | 0 | 111.1 | L271 W273 R279 | L271-I275 HydrophobicContact CD2-CD1 3.87Å; L271-I275 HydrophobicContact CG-CD1 3.88Å; L271-I275 WeakPolarHBondContact O-CB 3.32Å; L271-I275 VanDerWaalsContact O-CG1 3.26Å; L271-I275 WeakPolarHBondContact O-CG1 3.43Å; L271-I275 PolarHBondContact O-N 3.25Å; W273-I275 PolarHBondContact O-N 3.28Å; I275-R279 VanDerWaalsContact O-CB 3.25Å; I275-R279 WeakPolarHBondContact O-CB 3.25Å; I275-R279 PolarHBondContact O-N 2.78Å; I275-R279 VanDerWaalsContact O-N 3.08Å |
| 276 | K | 59.1 | Low | 54.6 | Low | 143 Ų | 143 | 106.8 Ų | 106.8 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.7 | -37.3 | 176.5 | -167.3 | 172.6 | -177.4 | 176 | 0 | 112 | N272 W273 T274 R279 R280 | N272-K276 VanDerWaalsContact O-CB 3.28Å; N272-K276 WeakPolarHBondContact O-CB 3.37Å; N272-K276 PolarHBondContact O-N 2.83Å; W273-K276 PolarHBondContact O-N 2.78Å; T274-K276 VanDerWaalsContact C-N 3.31Å; T274-K276 PolarHBondContact O-N 3.48Å; K276-R279 WeakPolarHBondContact O-CB 3.37Å; K276-R280 PolarHBondContact O-N 3.04Å |
| 277 | E | 54.9 | Low | 54.7 | Low | 55 Ų | 55 | 111.1 Ų | 111.1 | 26% | 0.257 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -76.5 | -40 | 177.5 | -159 | 65.9 | -172.3 | 0 | 0 | 112 | W273 T274 R279 R280 L281 | W273-E277 WeakPolarHBondContact O-CB 3.29Å; W273-E277 PolarHBondContact O-N 3.43Å; T274-E277 PolarHBondContact O-N 3.2Å; E277-R279 VanDerWaalsContact C-N 3.27Å; E277-R279 PolarHBondContact O-N 3.16Å; E277-R280 WeakPolarHBondContact O-CB 3.28Å; E277-R280 PolarHBondContact O-N 2.93Å; E277-R280 IonicContact OE1-CZ 2.69Å; E277-R280 VanDerWaalsContact OE1-CZ 3.27Å; E277-R280 IonicContact OE1-NH1 3.41Å; E277-R280 PolarHBondContact OE1-NH1 2.79Å; E277-R280 IonicContact OE1-NH2 2.76Å; E277-R280 IonicContact OE2-NH1 3.99Å; E277-R280 PolarHBondContact OE2-NH1 2.77Å; E277-L281 HydrophobicContact CG-CD1 4.28Å; E277-L281 PolarHBondContact O-N 2.99Å |
| 278 | L | 55.3 | Low | 54.8 | Low | 79 Ų | 79 | 110 Ų | 110 | 41% | 0.414 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.7 | -42.4 | 169.3 | -103.4 | 62 | 0 | 0 | 0 | 111.5 | T274 R280 L281 F282 F293 | T274-L278 HydrophobicContact CG2-CD1 3.97Å; T274-L278 WeakPolarHBondContact O-CB 3.11Å; T274-L278 WeakPolarHBondContact O-CD1 3.33Å; T274-L278 PolarHBondContact O-N 3.25Å; L278-R280 VanDerWaalsContact C-N 3.29Å; L278-R280 PolarHBondContact O-N 2.79Å; L278-L281 PolarHBondContact O-N 3.44Å; L278-F282 VanDerWaalsContact O-CB 3.28Å; L278-F282 WeakPolarHBondContact O-CB 3.41Å; L278-F282 PolarHBondContact O-N 2.8Å; L278-F293 HydrophobicContact CD1-CE2 3.99Å; L278-F293 HydrophobicContact CD1-CZ 3.79Å; L278-F293 HydrophobicContact CG-CZ 4.22Å |
| 279 | R | 59.8 | Low | 54.9 | Low | 150 Ų | 150 | 109.5 Ų | 109.5 | 57% | 0.566 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.6 | -38.8 | 175.3 | -170.1 | -166.8 | -41.6 | 173 | 5.8 | 111.4 | I275 K276 E277 L283 | I275-R279 VanDerWaalsContact O-CB 3.25Å; I275-R279 WeakPolarHBondContact O-CB 3.25Å; I275-R279 PolarHBondContact O-N 2.78Å; I275-R279 VanDerWaalsContact O-N 3.08Å; K276-R279 WeakPolarHBondContact O-CB 3.37Å; E277-R279 VanDerWaalsContact C-N 3.27Å; E277-R279 PolarHBondContact O-N 3.16Å; R279-L283 WeakPolarHBondContact O-CB 3.28Å; R279-L283 PolarHBondContact O-N 3.26Å |
| 280 | R | 58.8 | Low | 54.9 | Low | 130 Ų | 130 | 104.7 Ų | 104.7 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.2 | -47.9 | 176.3 | -156.9 | -178.5 | 104.2 | -143.3 | -2.2 | 111.7 | K276 E277 L278 F282 L283 | K276-R280 PolarHBondContact O-N 3.04Å; E277-R280 WeakPolarHBondContact O-CB 3.28Å; E277-R280 PolarHBondContact O-N 2.93Å; E277-R280 IonicContact OE1-CZ 2.69Å; E277-R280 VanDerWaalsContact OE1-CZ 3.27Å; E277-R280 IonicContact OE1-NH1 3.41Å; E277-R280 PolarHBondContact OE1-NH1 2.79Å; E277-R280 IonicContact OE1-NH2 2.76Å; E277-R280 IonicContact OE2-NH1 3.99Å; E277-R280 PolarHBondContact OE2-NH1 2.77Å; L278-R280 VanDerWaalsContact C-N 3.29Å; L278-R280 PolarHBondContact O-N 2.79Å; R280-F282 PolarHBondContact O-N 3.31Å; R280-L283 PolarHBondContact O-N 2.65Å |
| 281 | L | 54.9 | Low | 55.6 | Low | 41 Ų | 41 | 101.7 Ų | 101.7 | 22% | 0.215 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -61.4 | -27.9 | 177.9 | -98.3 | 63.5 | 0 | 0 | 0 | 113.5 | E277 L278 F293 | E277-L281 HydrophobicContact CG-CD1 4.28Å; E277-L281 PolarHBondContact O-N 2.99Å; L278-L281 PolarHBondContact O-N 3.44Å; L281-F293 HydrophobicContact CD2-CB 3.69Å; L281-F293 HydrophobicContact CD2-CD1 4.47Å; L281-F293 HydrophobicContact CD2-CD2 3.65Å; L281-F293 HydrophobicContact CD2-CE2 4.41Å; L281-F293 HydrophobicContact CD2-CG 3.69Å |
| 282 | F | 47.7 | Very low | 55.9 | Low | 145 Ų | 145 | 102.7 Ų | 102.7 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7.8 | -179.4 | -156.6 | -96.3 | 0 | 0 | 0 | 113.7 | F226 L278 R280 V284 | F226-F282 HydrophobicContact CE1-CD1 4.42Å; F226-F282 AromaticContact CE1-CE1 3.65Å; F226-F282 HydrophobicContact CE1-CE1 3.65Å; F226-F282 HydrophobicContact CE1-CZ 4.41Å; F226-F282 AromaticContact CZ-CD1 3.94Å; F226-F282 HydrophobicContact CZ-CD1 3.94Å; F226-F282 AromaticContact CZ-CE1 3.63Å; F226-F282 HydrophobicContact CZ-CE1 3.63Å; L278-F282 VanDerWaalsContact O-CB 3.28Å; L278-F282 WeakPolarHBondContact O-CB 3.41Å; L278-F282 PolarHBondContact O-N 2.8Å; R280-F282 PolarHBondContact O-N 3.31Å; F282-V284 PolarHBondContact O-N 2.69Å |
| 283 | L | 46.8 | Very low | 55.8 | Low | 114 Ų | 114 | 101.9 Ų | 101.9 | 60% | 0.597 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -98.6 | 33.7 | -173.4 | -149.6 | 85.2 | 0 | 0 | 0 | 114.9 | R279 R280 | R279-L283 WeakPolarHBondContact O-CB 3.28Å; R279-L283 PolarHBondContact O-N 3.26Å; R280-L283 PolarHBondContact O-N 2.65Å |
| 284 | V | 53.9 | Low | 55.8 | Low | 140 Ų | 140 | 96.8 Ų | 96.8 | 85% | 0.848 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 66.7 | 44.8 | 160.1 | -168.2 | 0 | 0 | 0 | 0 | 114.3 | F282 | F282-V284 PolarHBondContact O-N 2.69Š|
| 285 | E | 50.9 | Low | 56.5 | Low | 165 Ų | 165 | 98.4 Ų | 98.4 | 77% | 0.771 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -120.4 | -37.8 | 167.1 | -75 | -173.9 | 130.8 | 0 | 0 | 114.2 | ||
| 286 | D | 48.5 | Very low | 56.7 | Low | 82 Ų | 82 | 99.7 Ų | 99.7 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | trans | -118.4 | 94.9 | -178.5 | -84.2 | -64.5 | 0 | 0 | 0 | 114.4 | V288 D289 S290 | D286-V288 PolarHBondContact O-N 3.39Å; D286-D289 HydrophobicContact CB-CB 3.97Å; D286-D289 PolarHBondContact O-N 3.22Å; D286-S290 WeakPolarHBondContact O-CB 3.28Å; D286-S290 PolarHBondContact O-N 2.88Å; D286-S290 PolarHBondContact O-OG 3.37Å | ||
| 287 | L | 52.8 | Low | 56.8 | Low | 147 Ų | 147 | 96.6 Ų | 96.6 | 77% | 0.77 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.8 | -31.6 | 167.5 | -94.4 | 155.8 | 0 | 0 | 0 | 112.5 | S290 V291 | L287-S290 VanDerWaalsContact CA-OG 3.3Å; L287-S290 WeakPolarHBondContact CA-OG 3.21Å; L287-S290 PolarHBondContact O-OG 3.34Å; L287-S290 VanDerWaalsContact O-OG 3.1Å; L287-V291 WeakPolarHBondContact O-CB 3.44Å; L287-V291 VanDerWaalsContact O-CG2 3.24Å; L287-V291 WeakPolarHBondContact O-CG2 3.23Å; L287-V291 PolarHBondContact O-N 2.83Å |
| 288 | V | 55 | Low | 57.5 | Low | 92 Ų | 92 | 103.2 Ų | 103.2 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -77.2 | -41.4 | -178.1 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | D286 V291 K292 | D286-V288 PolarHBondContact O-N 3.39Å; V288-V291 PolarHBondContact O-N 2.81Å; V288-K292 WeakPolarHBondContact O-CG 3.28Å; V288-K292 PolarHBondContact O-N 3.49Å |
| 289 | D | 54.8 | Low | 57.6 | Low | 52 Ų | 52 | 103.7 Ų | 103.7 | 28% | 0.278 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -80.5 | -27.7 | 179.3 | -73.8 | -14.7 | 0 | 0 | 0 | 112.8 | D286 K292 F293 | D286-D289 HydrophobicContact CB-CB 3.97Å; D286-D289 PolarHBondContact O-N 3.22Å; D289-K292 PolarHBondContact O-N 3.2Å; D289-K292 WeakPolarHBondContact OD1-CD 3.36Å; D289-K292 WeakPolarHBondContact OD1-CE 3.38Å; D289-K292 IonicContact OD1-NZ 3.41Å; D289-K292 PolarHBondContact OD1-NZ 2.85Å; D289-F293 WeakPolarHBondContact O-CB 3.33Å; D289-F293 PolarHBondContact O-N 3.47Å |
| 290 | S | 56.3 | Low | 57.3 | Low | 44 Ų | 44 | 101.3 Ų | 101.3 | 31% | 0.308 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -36 | 166.3 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | D286 L287 F293 A294 | D286-S290 WeakPolarHBondContact O-CB 3.28Å; D286-S290 PolarHBondContact O-N 2.88Å; D286-S290 PolarHBondContact O-OG 3.37Å; L287-S290 VanDerWaalsContact CA-OG 3.3Å; L287-S290 WeakPolarHBondContact CA-OG 3.21Å; L287-S290 PolarHBondContact O-OG 3.34Å; L287-S290 VanDerWaalsContact O-OG 3.1Å; S290-F293 PolarHBondContact O-N 3.49Å; S290-A294 VanDerWaalsContact O-CB 3.29Å; S290-A294 WeakPolarHBondContact O-CB 3.41Å; S290-A294 PolarHBondContact O-N 3.41Å |
| 291 | V | 67.8 | Low | 57.3 | Low | 80 Ų | 80 | 99.8 Ų | 99.8 | 49% | 0.485 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -43.9 | 170.9 | 166.7 | 0 | 0 | 0 | 0 | 111.9 | L287 V288 F293 A294 I295 | L287-V291 WeakPolarHBondContact O-CB 3.44Å; L287-V291 VanDerWaalsContact O-CG2 3.24Å; L287-V291 WeakPolarHBondContact O-CG2 3.23Å; L287-V291 PolarHBondContact O-N 2.83Å; V288-V291 PolarHBondContact O-N 2.81Å; V291-F293 VanDerWaalsContact C-N 3.3Å; V291-F293 PolarHBondContact O-N 3.08Å; V291-A294 PolarHBondContact O-N 2.85Å; V291-I295 HydrophobicContact CG1-CD1 3.85Å; V291-I295 VanDerWaalsContact O-CG1 3.31Å; V291-I295 WeakPolarHBondContact O-CG1 3.35Å; V291-I295 PolarHBondContact O-N 2.99Å |
| 292 | K | 62.5 | Low | 57.4 | Low | 110 Ų | 110 | 105.3 Ų | 105.3 | 48% | 0.478 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 173.3 | -69.9 | 175 | -157.5 | 148.8 | 0 | 111.7 | V288 D289 I295 L296 | V288-K292 WeakPolarHBondContact O-CG 3.28Å; V288-K292 PolarHBondContact O-N 3.49Å; D289-K292 PolarHBondContact O-N 3.2Å; D289-K292 WeakPolarHBondContact OD1-CD 3.36Å; D289-K292 WeakPolarHBondContact OD1-CE 3.38Å; D289-K292 IonicContact OD1-NZ 3.41Å; D289-K292 PolarHBondContact OD1-NZ 2.85Å; K292-I295 PolarHBondContact O-N 3.25Å; K292-L296 WeakPolarHBondContact O-CB 3.26Å; K292-L296 VanDerWaalsContact O-CG 3.32Å; K292-L296 WeakPolarHBondContact O-CG 3Å; K292-L296 PolarHBondContact O-N 2.69Å |
| 293 | F | 57.2 | Low | 57.7 | Low | 67 Ų | 67 | 101 Ų | 101 | 29% | 0.294 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69 | -36.4 | 176.5 | -172.6 | -97.8 | 0 | 0 | 0 | 112 | L278 L281 D289 S290 V291 L296 M297 | L278-F293 HydrophobicContact CD1-CE2 3.99Å; L278-F293 HydrophobicContact CD1-CZ 3.79Å; L278-F293 HydrophobicContact CG-CZ 4.22Å; L281-F293 HydrophobicContact CD2-CB 3.69Å; L281-F293 HydrophobicContact CD2-CD1 4.47Å; L281-F293 HydrophobicContact CD2-CD2 3.65Å; L281-F293 HydrophobicContact CD2-CE2 4.41Å; L281-F293 HydrophobicContact CD2-CG 3.69Å; D289-F293 WeakPolarHBondContact O-CB 3.33Å; D289-F293 PolarHBondContact O-N 3.47Å; S290-F293 PolarHBondContact O-N 3.49Å; V291-F293 VanDerWaalsContact C-N 3.3Å; V291-F293 PolarHBondContact O-N 3.08Å; F293-L296 PolarHBondContact O-N 3.4Å; F293-M297 HydrophobicContact CD1-CG 3.96Å; F293-M297 HydrophobicContact CE1-CE 4.48Å; F293-M297 HydrophobicContact CE1-CG 3.59Å; F293-M297 HydrophobicContact CE1-SD 4.39Å; F293-M297 HydrophobicContact CE2-CE 4.19Å; F293-M297 HydrophobicContact CZ-CE 3.86Å; F293-M297 HydrophobicContact CZ-CG 3.92Å; F293-M297 HydrophobicContact CZ-SD 4.29Å; F293-M297 VanDerWaalsContact O-CB 3.25Å; F293-M297 WeakPolarHBondContact O-CB 3.46Å; F293-M297 WeakPolarHBondContact O-CG 3.3Å; F293-M297 PolarHBondContact O-N 3.37Å |
| 294 | A | 63.4 | Low | 58.2 | Low | 56 Ų | 56 | 97.5 Ų | 97.5 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S290 V291 M297 W298 | S290-A294 VanDerWaalsContact O-CB 3.29Å; S290-A294 WeakPolarHBondContact O-CB 3.41Å; S290-A294 PolarHBondContact O-N 3.41Å; V291-A294 PolarHBondContact O-N 2.85Å; A294-M297 PolarHBondContact O-N 3.44Å; A294-W298 WeakPolarHBondContact O-CB 3.44Å; A294-W298 PolarHBondContact O-N 3.35Å |
| 295 | I | 69.6 | Low | 58.6 | Low | 93 Ų | 93 | 94.1 Ų | 94.1 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69 | -39.7 | 174.3 | -67.3 | 165 | 0 | 0 | 0 | 111.2 | V291 K292 W298 I299 | V291-I295 HydrophobicContact CG1-CD1 3.85Å; V291-I295 VanDerWaalsContact O-CG1 3.31Å; V291-I295 WeakPolarHBondContact O-CG1 3.35Å; V291-I295 PolarHBondContact O-N 2.99Å; K292-I295 PolarHBondContact O-N 3.25Å; I295-W298 WeakPolarHBondContact O-CB 3.19Å; I295-W298 PolarHBondContact O-N 2.99Å; I295-I299 HydrophobicContact CG2-CD1 3.87Å; I295-I299 HydrophobicContact CG2-CG1 4.48Å; I295-I299 WeakPolarHBondContact O-CB 3.2Å; I295-I299 VanDerWaalsContact O-CG1 3.27Å; I295-I299 WeakPolarHBondContact O-CG1 3.2Å; I295-I299 PolarHBondContact O-N 2.83Å |
| 296 | L | 60.9 | Low | 58.7 | Low | 109 Ų | 109 | 90.6 Ų | 90.6 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.9 | -39.1 | 174 | -76.9 | 169 | 0 | 0 | 0 | 111.7 | K292 F293 L300 | K292-L296 WeakPolarHBondContact O-CB 3.26Å; K292-L296 VanDerWaalsContact O-CG 3.32Å; K292-L296 WeakPolarHBondContact O-CG 3Å; K292-L296 PolarHBondContact O-N 2.69Å; F293-L296 PolarHBondContact O-N 3.4Å; L296-L300 WeakPolarHBondContact O-CB 3.25Å; L296-L300 PolarHBondContact O-N 2.88Å |
| 297 | M | 61.8 | Low | 59 | Low | 77 Ų | 77 | 93.1 Ų | 93.1 | 38% | 0.379 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.5 | -35.5 | 171.5 | -80.1 | -70 | 118.7 | 0 | 0 | 111.8 | F293 A294 L300 T301 | F293-M297 HydrophobicContact CD1-CG 3.96Å; F293-M297 HydrophobicContact CE1-CE 4.48Å; F293-M297 HydrophobicContact CE1-CG 3.59Å; F293-M297 HydrophobicContact CE1-SD 4.39Å; F293-M297 HydrophobicContact CE2-CE 4.19Å; F293-M297 HydrophobicContact CZ-CE 3.86Å; F293-M297 HydrophobicContact CZ-CG 3.92Å; F293-M297 HydrophobicContact CZ-SD 4.29Å; F293-M297 VanDerWaalsContact O-CB 3.25Å; F293-M297 WeakPolarHBondContact O-CB 3.46Å; F293-M297 WeakPolarHBondContact O-CG 3.3Å; F293-M297 PolarHBondContact O-N 3.37Å; A294-M297 PolarHBondContact O-N 3.44Å; M297-L300 HydrophobicContact CE-CD2 3.55Å; M297-L300 PolarHBondContact O-N 3.05Å; M297-L300 HydrophobicContact SD-CD2 4.49Å; M297-T301 WeakPolarHBondContact O-CB 3.12Å; M297-T301 PolarHBondContact O-N 3.27Å; M297-T301 PolarHBondContact O-OG1 3.07Å |
| 298 | W | 69.6 | Low | 59.7 | Low | 194 Ų | 194 | 87.8 Ų | 87.8 | 74% | 0.735 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.4 | -48.4 | 173.9 | -178.2 | -84.1 | 0 | 0 | 0 | 111.1 | A294 I295 T301 Y302 | A294-W298 WeakPolarHBondContact O-CB 3.44Å; A294-W298 PolarHBondContact O-N 3.35Å; I295-W298 WeakPolarHBondContact O-CB 3.19Å; I295-W298 PolarHBondContact O-N 2.99Å; W298-T301 PolarHBondContact O-N 3.08Å; W298-Y302 WeakPolarHBondContact O-CB 3.45Å; W298-Y302 PolarHBondContact O-N 3.43Å |
| 299 | I | 56 | Low | 60.3 | Low | 89 Ų | 89 | 85.8 Ų | 85.8 | 46% | 0.456 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 173.9 | -66.8 | 166.2 | 0 | 0 | 0 | 110.3 | I295 T301 Y302 V303 | I295-I299 HydrophobicContact CG2-CD1 3.87Å; I295-I299 HydrophobicContact CG2-CG1 4.48Å; I295-I299 WeakPolarHBondContact O-CB 3.2Å; I295-I299 VanDerWaalsContact O-CG1 3.27Å; I295-I299 WeakPolarHBondContact O-CG1 3.2Å; I295-I299 PolarHBondContact O-N 2.83Å; I299-T301 VanDerWaalsContact C-N 3.33Å; I299-T301 PolarHBondContact O-N 3.21Å; I299-Y302 PolarHBondContact O-N 3.34Å; I299-V303 HydrophobicContact CG2-CG2 4.12Å; I299-V303 VanDerWaalsContact O-CB 3.27Å; I299-V303 WeakPolarHBondContact O-CB 3.3Å; I299-V303 WeakPolarHBondContact O-CG2 3.45Å; I299-V303 PolarHBondContact O-N 2.66Å |
| 300 | L | 53.3 | Low | 61 | Low | 101 Ų | 101 | 85 Ų | 85 | 53% | 0.529 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.3 | -28.2 | 177.2 | -170.8 | 67.4 | 0 | 0 | 0 | 112.4 | L296 M297 G304 | L296-L300 WeakPolarHBondContact O-CB 3.25Å; L296-L300 PolarHBondContact O-N 2.88Å; M297-L300 HydrophobicContact CE-CD2 3.55Å; M297-L300 PolarHBondContact O-N 3.05Å; M297-L300 HydrophobicContact SD-CD2 4.49Å; L300-G304 WeakPolarHBondContact O-CA 3.24Å; L300-G304 PolarHBondContact O-N 2.91Å |
| 301 | T | 59.9 | Low | 62 | Low | 97 Ų | 97 | 85.1 Ų | 85.1 | 60% | 0.595 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -71.9 | -40.3 | 171 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | M297 W298 I299 G304 A305 | M297-T301 WeakPolarHBondContact O-CB 3.12Å; M297-T301 PolarHBondContact O-N 3.27Å; M297-T301 PolarHBondContact O-OG1 3.07Å; W298-T301 PolarHBondContact O-N 3.08Å; I299-T301 VanDerWaalsContact C-N 3.33Å; I299-T301 PolarHBondContact O-N 3.21Å; T301-G304 PolarHBondContact O-N 2.95Å; T301-A305 WeakPolarHBondContact O-CB 3.36Å; T301-A305 PolarHBondContact O-N 3.36Å |
| 302 | Y | 56.8 | Low | 62.5 | Low | 158 Ų | 158 | 84.6 Ų | 84.6 | 62% | 0.62 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -68.2 | -44.8 | 175.6 | -159.4 | -97.2 | 0 | 0 | 0 | 111.8 | W298 I299 A305 L306 | W298-Y302 WeakPolarHBondContact O-CB 3.45Å; W298-Y302 PolarHBondContact O-N 3.43Å; I299-Y302 PolarHBondContact O-N 3.34Å; Y302-A305 PolarHBondContact O-N 3.47Å; Y302-L306 HydrophobicContact CD1-CD1 3.81Å; Y302-L306 HydrophobicContact CE1-CD1 3.85Å; Y302-L306 VanDerWaalsContact O-CG 3.3Å; Y302-L306 WeakPolarHBondContact O-CG 3.28Å; Y302-L306 PolarHBondContact O-N 3.44Å |
| 303 | V | 54.6 | Low | 63.3 | Low | 54 Ų | 54 | 84.2 Ų | 84.2 | 33% | 0.327 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 172.4 | 170.9 | 0 | 0 | 0 | 0 | 109.9 | I299 A305 L306 F307 | I299-V303 HydrophobicContact CG2-CG2 4.12Å; I299-V303 VanDerWaalsContact O-CB 3.27Å; I299-V303 WeakPolarHBondContact O-CB 3.3Å; I299-V303 WeakPolarHBondContact O-CG2 3.45Å; I299-V303 PolarHBondContact O-N 2.66Å; V303-A305 VanDerWaalsContact C-N 3.33Å; V303-A305 PolarHBondContact O-N 2.89Å; V303-L306 CarbonylContact O-C 3.59Å; V303-L306 PolarHBondContact O-N 3.19Å; V303-L306 VanDerWaalsContact O-N 3.15Å; V303-F307 HydrophobicContact CG1-CD2 3.58Å; V303-F307 HydrophobicContact CG1-CE2 3.92Å; V303-F307 HydrophobicContact CG1-CG 4.29Å; V303-F307 WeakPolarHBondContact O-CA 3.47Å; V303-F307 VanDerWaalsContact O-CB 3.23Å; V303-F307 WeakPolarHBondContact O-CB 3.49Å; V303-F307 VanDerWaalsContact O-CD2 3.29Å; V303-F307 WeakPolarHBondContact O-CD2 3.26Å; V303-F307 PolarHBondContact O-N 2.9Å |
| 304 | G | 56.1 | Low | 64.5 | Low | 41 Ų | 41 | 82.5 Ų | 82.5 | 42% | 0.423 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.8 | -35.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L300 T301 F307 N308 | L300-G304 WeakPolarHBondContact O-CA 3.24Å; L300-G304 PolarHBondContact O-N 2.91Å; T301-G304 PolarHBondContact O-N 2.95Å; G304-F307 CarbonylContact O-C 3.57Å; G304-N308 PolarHBondContact O-N 3.02Å; G304-N308 VanDerWaalsContact O-N 3.07Å |
| 305 | A | 61.6 | Low | 65.4 | Low | 69 Ų | 69 | 85 Ų | 85 | 57% | 0.57 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.4 | -34.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T301 Y302 V303 | T301-A305 WeakPolarHBondContact O-CB 3.36Å; T301-A305 PolarHBondContact O-N 3.36Å; Y302-A305 PolarHBondContact O-N 3.47Å; V303-A305 VanDerWaalsContact C-N 3.33Å; V303-A305 PolarHBondContact O-N 2.89Å |
| 306 | L | 54.1 | Low | 66 | Low | 90 Ų | 90 | 82.7 Ų | 82.7 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -78.2 | -34.7 | 174.3 | -67.6 | 169.7 | 0 | 0 | 0 | 112.9 | Y302 V303 | Y302-L306 HydrophobicContact CD1-CD1 3.81Å; Y302-L306 HydrophobicContact CE1-CD1 3.85Å; Y302-L306 VanDerWaalsContact O-CG 3.3Å; Y302-L306 WeakPolarHBondContact O-CG 3.28Å; Y302-L306 PolarHBondContact O-N 3.44Å; V303-L306 CarbonylContact O-C 3.59Å; V303-L306 PolarHBondContact O-N 3.19Å; V303-L306 VanDerWaalsContact O-N 3.15Å |
| 307 | F | 54 | Low | 67.1 | Low | 136 Ų | 136 | 79.2 Ų | 79.2 | 60% | 0.596 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 30.6 | 179 | -75.9 | -107.6 | 0 | 0 | 0 | 112 | V303 G304 G309 L312 | V303-F307 HydrophobicContact CG1-CD2 3.58Å; V303-F307 HydrophobicContact CG1-CE2 3.92Å; V303-F307 HydrophobicContact CG1-CG 4.29Å; V303-F307 WeakPolarHBondContact O-CA 3.47Å; V303-F307 VanDerWaalsContact O-CB 3.23Å; V303-F307 WeakPolarHBondContact O-CB 3.49Å; V303-F307 VanDerWaalsContact O-CD2 3.29Å; V303-F307 WeakPolarHBondContact O-CD2 3.26Å; V303-F307 PolarHBondContact O-N 2.9Å; G304-F307 CarbonylContact O-C 3.57Å; F307-G309 VanDerWaalsContact C-N 3.31Å; F307-G309 PolarHBondContact O-N 2.85Å; F307-L312 HydrophobicContact CB-CD1 4.32Å; F307-L312 HydrophobicContact CD1-CD1 3.39Å; F307-L312 HydrophobicContact CE1-CD1 3.73Å; F307-L312 HydrophobicContact CG-CD1 3.83Å; F307-L312 HydrophobicContact CZ-CD1 4.44Å |
| 308 | N | 67.8 | Low | 68.2 | Low | 34 Ų | 34 | 77.9 Ų | 77.9 | 18% | 0.182 | 43% | 0.432 | C | S | . | . | trans | -56.7 | 106.8 | 147.6 | 174.2 | 35.6 | 0 | 0 | 0 | 105.7 | I208 G304 L310 T311 L312 | I208-N308 HydrophobicContact CD1-CB 4.23Å; G304-N308 PolarHBondContact O-N 3.02Å; G304-N308 VanDerWaalsContact O-N 3.07Å; N308-L310 PolarHBondContact O-N 2.87Å; N308-T311 WeakPolarHBondContact CB-OG1 3.48Å; N308-T311 PolarHBondContact ND2-N 3.4Å; N308-T311 PolarHBondContact ND2-OG1 3.47Å; N308-T311 WeakPolarHBondContact O-CA 3.19Å; N308-T311 VanDerWaalsContact O-CB 3.32Å; N308-T311 WeakPolarHBondContact O-CB 3.29Å; N308-T311 PolarHBondContact O-N 3.44Å; N308-L312 PolarHBondContact O-N 2.84Å; N308-L312 VanDerWaalsContact O-N 3.08Å | ||
| 309 | G | 67.1 | Low | 68.8 | Low | 51 Ų | 51 | 69.8 Ų | 69.8 | 53% | 0.526 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.9 | -24.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F307 L313 | F307-G309 VanDerWaalsContact C-N 3.31Å; F307-G309 PolarHBondContact O-N 2.85Å; G309-L313 WeakPolarHBondContact O-CB 3.46Å; G309-L313 PolarHBondContact O-N 2.8Å |
| 310 | L | 71.5 | Confident | 70 | Confident | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -73.7 | -37.2 | 173.1 | -137.2 | 159.1 | 0 | 0 | 0 | 112.7 | L200 L203 N308 L313 I314 | L200-L310 HydrophobicContact CB-CD2 4.31Å; L200-L310 HydrophobicContact CG-CD2 4.47Å; L200-L310 WeakPolarHBondContact O-CD2 3.3Å; L203-L310 HydrophobicContact CB-CD1 4.05Å; N308-L310 PolarHBondContact O-N 2.87Å; L310-L313 WeakPolarHBondContact O-CB 3.29Å; L310-L313 PolarHBondContact O-N 3.27Å; L310-I314 HydrophobicContact CD2-CD1 3.97Å; L310-I314 HydrophobicContact CD2-CG1 4.33Å; L310-I314 VanDerWaalsContact O-CG1 3.27Å; L310-I314 WeakPolarHBondContact O-CG1 3.47Å; L310-I314 PolarHBondContact O-N 3.37Å |
| 311 | T | 76.9 | Confident | 71.2 | Confident | 45 Ų | 45 | 64 Ų | 64 | 28% | 0.276 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 169 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | N308 L313 I314 L315 | N308-T311 WeakPolarHBondContact CB-OG1 3.48Å; N308-T311 PolarHBondContact ND2-N 3.4Å; N308-T311 PolarHBondContact ND2-OG1 3.47Å; N308-T311 WeakPolarHBondContact O-CA 3.19Å; N308-T311 VanDerWaalsContact O-CB 3.32Å; N308-T311 WeakPolarHBondContact O-CB 3.29Å; N308-T311 PolarHBondContact O-N 3.44Å; T311-L313 VanDerWaalsContact C-N 3.34Å; T311-I314 PolarHBondContact O-N 3.25Å; T311-L315 HydrophobicContact CG2-CD1 4.3Å; T311-L315 PolarHBondContact O-N 2.89Å |
| 312 | L | 78.4 | Confident | 71.9 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 36% | 0.361 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.2 | -34.2 | 173.6 | -68.2 | -175.6 | 0 | 0 | 0 | 112.5 | F307 N308 L315 G316 | F307-L312 HydrophobicContact CB-CD1 4.32Å; F307-L312 HydrophobicContact CD1-CD1 3.39Å; F307-L312 HydrophobicContact CE1-CD1 3.73Å; F307-L312 HydrophobicContact CG-CD1 3.83Å; F307-L312 HydrophobicContact CZ-CD1 4.44Å; N308-L312 PolarHBondContact O-N 2.84Å; N308-L312 VanDerWaalsContact O-N 3.08Å; L312-L315 HydrophobicContact CD2-CD1 4.3Å; L312-L315 PolarHBondContact O-N 3.32Å; L312-G316 PolarHBondContact O-N 3.18Å |
| 313 | L | 78 | Confident | 72.8 | Confident | 103 Ų | 103 | 57.9 Ų | 57.9 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 172.4 | -171.8 | 68.5 | 0 | 0 | 0 | 111.8 | L200 G309 L310 T311 G316 L317 | L200-L313 HydrophobicContact CD2-CB 4.5Å; L200-L313 HydrophobicContact CD2-CD2 3.85Å; L200-L313 HydrophobicContact CD2-CG 3.82Å; L200-L313 HydrophobicContact CG-CD2 4.38Å; G309-L313 WeakPolarHBondContact O-CB 3.46Å; G309-L313 PolarHBondContact O-N 2.8Å; L310-L313 WeakPolarHBondContact O-CB 3.29Å; L310-L313 PolarHBondContact O-N 3.27Å; T311-L313 VanDerWaalsContact C-N 3.34Å; L313-G316 PolarHBondContact O-N 3.47Å; L313-L317 WeakPolarHBondContact O-CB 3.39Å; L313-L317 PolarHBondContact O-N 3.48Å |
| 314 | I | 82.6 | Confident | 73.8 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 15% | 0.154 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.9 | -49.1 | 173 | -71.3 | 161.9 | 0 | 0 | 0 | 110.4 | L197 L200 L310 T311 G316 L317 V318 | L197-I314 HydrophobicContact CD1-CG2 3.9Å; L200-I314 HydrophobicContact CB-CD1 4.41Å; L200-I314 HydrophobicContact CB-CG1 3.88Å; L200-I314 HydrophobicContact CD2-CG1 4.09Å; L310-I314 HydrophobicContact CD2-CD1 3.97Å; L310-I314 HydrophobicContact CD2-CG1 4.33Å; L310-I314 VanDerWaalsContact O-CG1 3.27Å; L310-I314 WeakPolarHBondContact O-CG1 3.47Å; L310-I314 PolarHBondContact O-N 3.37Å; T311-I314 PolarHBondContact O-N 3.25Å; I314-G316 VanDerWaalsContact C-N 3.29Å; I314-G316 PolarHBondContact O-N 3.01Å; I314-L317 PolarHBondContact O-N 3.17Å; I314-V318 HydrophobicContact CG2-CG2 4.41Å; I314-V318 WeakPolarHBondContact O-CB 3.44Å; I314-V318 VanDerWaalsContact O-CG2 3.29Å; I314-V318 WeakPolarHBondContact O-CG2 3.45Å; I314-V318 PolarHBondContact O-N 3.49Å |
| 315 | L | 83.7 | Confident | 74.6 | Confident | 109 Ų | 109 | 56.7 Ų | 56.7 | 57% | 0.571 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.2 | -38.4 | 174.6 | -84.3 | 161.8 | 0 | 0 | 0 | 112.2 | T311 L312 G319 | T311-L315 HydrophobicContact CG2-CD1 4.3Å; T311-L315 PolarHBondContact O-N 2.89Å; L312-L315 HydrophobicContact CD2-CD1 4.3Å; L312-L315 PolarHBondContact O-N 3.32Å; L315-G319 WeakPolarHBondContact O-CA 3.27Å; L315-G319 PolarHBondContact O-N 2.82Å |
| 316 | G | 81.4 | Confident | 75.4 | Confident | 44 Ų | 44 | 57.9 Ų | 57.9 | 45% | 0.454 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L312 L313 I314 A320 | L312-G316 PolarHBondContact O-N 3.18Å; L313-G316 PolarHBondContact O-N 3.47Å; I314-G316 VanDerWaalsContact C-N 3.29Å; I314-G316 PolarHBondContact O-N 3.01Å; G316-A320 VanDerWaalsContact O-CB 3.23Å; G316-A320 WeakPolarHBondContact O-CB 3.34Å; G316-A320 PolarHBondContact O-N 2.9Å |
| 317 | L | 83.4 | Confident | 76.4 | Confident | 37 Ų | 37 | 59.5 Ų | 59.5 | 19% | 0.194 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.4 | -46.7 | 175.9 | -177.6 | 65.9 | 0 | 0 | 0 | 111.5 | F193 A196 L200 L313 I314 G319 A320 F321 | F193-L317 HydrophobicContact CD2-CG 4.32Å; F193-L317 HydrophobicContact CE2-CG 4.14Å; A196-L317 HydrophobicContact CB-CD2 4.03Å; L200-L317 HydrophobicContact CD2-CD2 4.03Å; L313-L317 WeakPolarHBondContact O-CB 3.39Å; L313-L317 PolarHBondContact O-N 3.48Å; I314-L317 PolarHBondContact O-N 3.17Å; L317-G319 VanDerWaalsContact C-N 3.32Å; L317-G319 PolarHBondContact O-N 3.19Å; L317-A320 PolarHBondContact O-N 3.49Å; L317-F321 HydrophobicContact CD1-CD2 3.94Å; L317-F321 HydrophobicContact CD1-CE2 3.77Å; L317-F321 WeakPolarHBondContact O-CD2 3.29Å; L317-F321 PolarHBondContact O-N 2.9Å; L317-F321 VanDerWaalsContact O-N 3.16Å |
| 318 | V | 85.2 | Confident | 77.5 | Confident | 49 Ų | 49 | 58.7 Ų | 58.7 | 30% | 0.297 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 174.3 | 172.2 | 0 | 0 | 0 | 0 | 109.9 | F193 L197 I314 F321 S322 | F193-V318 HydrophobicContact CZ-CG2 4.19Å; L197-V318 HydrophobicContact CD1-CG2 3.91Å; I314-V318 HydrophobicContact CG2-CG2 4.41Å; I314-V318 WeakPolarHBondContact O-CB 3.44Å; I314-V318 VanDerWaalsContact O-CG2 3.29Å; I314-V318 WeakPolarHBondContact O-CG2 3.45Å; I314-V318 PolarHBondContact O-N 3.49Å; V318-F321 PolarHBondContact O-N 2.98Å; V318-S322 WeakPolarHBondContact O-CB 3.5Å; V318-S322 PolarHBondContact O-N 3.32Å; V318-S322 PolarHBondContact O-OG 2.69Å |
| 319 | G | 81.9 | Confident | 77.9 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 24% | 0.237 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L315 L317 F321 S322 C323 | L315-G319 WeakPolarHBondContact O-CA 3.27Å; L315-G319 PolarHBondContact O-N 2.82Å; L317-G319 VanDerWaalsContact C-N 3.32Å; L317-G319 PolarHBondContact O-N 3.19Å; G319-F321 VanDerWaalsContact C-N 3.29Å; G319-F321 PolarHBondContact O-N 3.48Å; G319-S322 PolarHBondContact O-N 2.88Å; G319-C323 WeakPolarHBondContact O-CB 3.28Å; G319-C323 PolarHBondContact O-N 3.41Å; G319-C323 PolarHBondContact O-SG 2.69Å |
| 320 | A | 80.9 | Confident | 78.4 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 42% | 0.421 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -35.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G316 L317 P324 | G316-A320 VanDerWaalsContact O-CB 3.23Å; G316-A320 WeakPolarHBondContact O-CB 3.34Å; G316-A320 PolarHBondContact O-N 2.9Å; L317-A320 PolarHBondContact O-N 3.49Å; A320-P324 WeakPolarHBondContact O-CD 3.46Å; A320-P324 WeakPolarHBondContact O-CG 3.25Å |
| 321 | F | 78.4 | Confident | 78.5 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 8% | 0.083 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -88.9 | -23 | 176.4 | -81.5 | -97.9 | 0 | 0 | 0 | 114 | L180 V181 W183 F193 L317 V318 G319 I325 | L180-F321 WeakPolarHBondContact O-CE1 3.27Å; V181-F321 HydrophobicContact CG2-CZ 4.34Å; W183-F321 AromaticContact NE1-CD1 3.78Å; W183-F321 PolarHBondContact NE1-O 2.84Å; F193-F321 HydrophobicContact CB-CD1 4.28Å; F193-F321 HydrophobicContact CB-CE1 4.24Å; F193-F321 HydrophobicContact CD2-CB 3.81Å; F193-F321 AromaticContact CD2-CD1 3.98Å; F193-F321 HydrophobicContact CD2-CD1 3.98Å; F193-F321 AromaticContact CD2-CD2 3.59Å; F193-F321 HydrophobicContact CD2-CD2 3.59Å; F193-F321 HydrophobicContact CD2-CE1 4.46Å; F193-F321 HydrophobicContact CD2-CE2 4.12Å; F193-F321 AromaticContact CD2-CG 3.51Å; F193-F321 HydrophobicContact CD2-CG 3.51Å; F193-F321 HydrophobicContact CE2-CB 3.74Å; F193-F321 HydrophobicContact CE2-CD2 4.03Å; F193-F321 AromaticContact CE2-CG 3.94Å; F193-F321 HydrophobicContact CE2-CG 3.94Å; F193-F321 HydrophobicContact CG-CD1 4.34Å; F193-F321 HydrophobicContact CG-CG 4.28Å; F193-F321 HydrophobicContact CZ-CB 4.49Å; L317-F321 HydrophobicContact CD1-CD2 3.94Å; L317-F321 HydrophobicContact CD1-CE2 3.77Å; L317-F321 WeakPolarHBondContact O-CD2 3.29Å; L317-F321 PolarHBondContact O-N 2.9Å; L317-F321 VanDerWaalsContact O-N 3.16Å; V318-F321 PolarHBondContact O-N 2.98Å; G319-F321 VanDerWaalsContact C-N 3.29Å; G319-F321 PolarHBondContact O-N 3.48Å; F321-I325 WeakPolarHBondContact O-CG1 3.25Å |
| 322 | S | 76.4 | Confident | 78.4 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 34% | 0.336 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -91.3 | -41.1 | -179.2 | -54.7 | 0 | 0 | 0 | 0 | 112.7 | V318 G319 I325 I326 | V318-S322 WeakPolarHBondContact O-CB 3.5Å; V318-S322 PolarHBondContact O-N 3.32Å; V318-S322 PolarHBondContact O-OG 2.69Å; G319-S322 PolarHBondContact O-N 2.88Å; S322-I325 PolarHBondContact O-N 3.33Å; S322-I326 WeakPolarHBondContact O-CB 3.48Å; S322-I326 PolarHBondContact O-N 3.12Å |
| 323 | C | 75.3 | Confident | 78.2 | Confident | 77 Ų | 77 | 73.6 Ų | 73.6 | 52% | 0.52 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -51.7 | -49.1 | 179.4 | -74.6 | 0 | 0 | 0 | 0 | 114.1 | G319 I325 Y327 | G319-C323 WeakPolarHBondContact O-CB 3.28Å; G319-C323 PolarHBondContact O-N 3.41Å; G319-C323 PolarHBondContact O-SG 2.69Å; C323-I325 PolarHBondContact O-N 2.89Å; C323-Y327 WeakPolarHBondContact O-CB 3.24Å; C323-Y327 PolarHBondContact O-N 3.28Å |
| 324 | P | 74.5 | Confident | 78.3 | Confident | 18 Ų | 18 | 71 Ų | 71 | 12% | 0.117 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.9 | 23.4 | -33.6 | 0 | 0 | 0 | 112.1 | V181 Y182 A320 Y327 E328 | V181-P324 HydrophobicContact CG1-CG 3.89Å; Y182-P324 HydrophobicContact CE2-CB 4.48Å; A320-P324 WeakPolarHBondContact O-CD 3.46Å; A320-P324 WeakPolarHBondContact O-CG 3.25Å; P324-Y327 PolarHBondContact O-N 3.03Å; P324-E328 WeakPolarHBondContact O-CB 3.46Å; P324-E328 PolarHBondContact O-N 3.11Å |
| 325 | I | 74.5 | Confident | 78.3 | Confident | 52 Ų | 52 | 75 Ų | 75 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.7 | -44.2 | -179.3 | -58.6 | -60.4 | 0 | 0 | 0 | 112.2 | W183 F321 S322 C323 Y327 K329 | W183-I325 HydrophobicContact CB-CD1 3.89Å; W183-I325 HydrophobicContact CG-CD1 3.86Å; W183-I325 HydrophobicContact CG-CG1 4.19Å; F321-I325 WeakPolarHBondContact O-CG1 3.25Å; S322-I325 PolarHBondContact O-N 3.33Å; C323-I325 PolarHBondContact O-N 2.89Å; I325-Y327 VanDerWaalsContact C-N 3.32Å; I325-K329 PolarHBondContact O-N 2.95Å; I325-K329 VanDerWaalsContact O-N 3.07Å |
| 326 | I | 76.6 | Confident | 78.4 | Confident | 94 Ų | 94 | 75.4 Ų | 75.4 | 48% | 0.482 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 177.4 | -121.8 | 71.2 | 0 | 0 | 0 | 110.2 | S322 H330 I334 | S322-I326 WeakPolarHBondContact O-CB 3.48Å; S322-I326 PolarHBondContact O-N 3.12Å; I326-H330 WeakPolarHBondContact O-CB 3.26Å; I326-H330 PolarHBondContact O-N 2.88Å; I326-I334 HydrophobicContact CG2-CD1 4.08Å |
| 327 | Y | 75.8 | Confident | 78.4 | Confident | 125 Ų | 125 | 80.9 Ų | 80.9 | 49% | 0.49 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.3 | -54.9 | 176.3 | -174 | -108 | 0 | 0 | 0 | 110.4 | C323 P324 I325 K329 H330 Q331 | C323-Y327 WeakPolarHBondContact O-CB 3.24Å; C323-Y327 PolarHBondContact O-N 3.28Å; P324-Y327 PolarHBondContact O-N 3.03Å; I325-Y327 VanDerWaalsContact C-N 3.32Å; Y327-K329 VanDerWaalsContact C-N 3.3Å; Y327-K329 PolarHBondContact O-N 3.49Å; Y327-H330 PolarHBondContact O-N 3.38Å; Y327-H330 VanDerWaalsContact O-N 3.14Å; Y327-Q331 HydrophobicContact CD1-CG 4.26Å; Y327-Q331 HydrophobicContact CE1-CG 4.18Å; Y327-Q331 VanDerWaalsContact CE1-NE2 3.27Å; Y327-Q331 WeakPolarHBondContact O-CA 3.24Å; Y327-Q331 WeakPolarHBondContact O-CG 3.29Å; Y327-Q331 PolarHBondContact O-N 2.81Å |
| 328 | E | 76.9 | Confident | 78.4 | Confident | 118 Ų | 118 | 83.8 Ų | 83.8 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -57.8 | -38.4 | -178.5 | -168.2 | 172.2 | -155.3 | 0 | 0 | 112.8 | P324 | P324-E328 WeakPolarHBondContact O-CB 3.46Å; P324-E328 PolarHBondContact O-N 3.11Å |
| 329 | K | 75.6 | Confident | 78.3 | Confident | 173 Ų | 173 | 83.5 Ų | 83.5 | 75% | 0.752 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -76.9 | -29.4 | 175.7 | -90.1 | -160.9 | 171.9 | -175.4 | 0 | 115.6 | I325 Y327 | I325-K329 PolarHBondContact O-N 2.95Å; I325-K329 VanDerWaalsContact O-N 3.07Å; Y327-K329 VanDerWaalsContact C-N 3.3Å; Y327-K329 PolarHBondContact O-N 3.49Å |
| 330 | H | 77.6 | Confident | 78.6 | Confident | 76 Ų | 76 | 86.1 Ų | 86.1 | 35% | 0.352 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -122.8 | 17.5 | -169.4 | -63.8 | -89.3 | 0 | 0 | 0 | 114.3 | I326 Y327 A332 Q333 I334 | I326-H330 WeakPolarHBondContact O-CB 3.26Å; I326-H330 PolarHBondContact O-N 2.88Å; Y327-H330 PolarHBondContact O-N 3.38Å; Y327-H330 VanDerWaalsContact O-N 3.14Å; H330-A332 VanDerWaalsContact C-N 3.35Å; H330-A332 PolarHBondContact O-N 3.17Å; H330-A332 VanDerWaalsContact O-N 3.15Å; H330-Q333 PolarHBondContact ND1-OE1 2.98Å; H330-Q333 PolarHBondContact O-N 3.46Å; H330-I334 HydrophobicContact CB-CD1 3.74Å; H330-I334 HydrophobicContact CB-CG1 4.01Å; H330-I334 WeakPolarHBondContact O-CG1 3.42Å; H330-I334 PolarHBondContact O-N 2.96Å |
| 331 | Q | 73.6 | Confident | 79 | Confident | 101 Ų | 101 | 87.9 Ų | 87.9 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -40.2 | -57 | -176.9 | -66.3 | -166.4 | -39.6 | 0 | 0 | 113.5 | Y327 Q333 I334 D335 | Y327-Q331 HydrophobicContact CD1-CG 4.26Å; Y327-Q331 HydrophobicContact CE1-CG 4.18Å; Y327-Q331 VanDerWaalsContact CE1-NE2 3.27Å; Y327-Q331 WeakPolarHBondContact O-CA 3.24Å; Y327-Q331 WeakPolarHBondContact O-CG 3.29Å; Y327-Q331 PolarHBondContact O-N 2.81Å; Q331-Q333 VanDerWaalsContact C-N 3.31Å; Q331-Q333 PolarHBondContact O-N 3.41Å; Q331-I334 PolarHBondContact O-N 3.27Å; Q331-D335 VanDerWaalsContact O-CB 3.29Å; Q331-D335 WeakPolarHBondContact O-CB 3.38Å; Q331-D335 PolarHBondContact O-N 3.46Å |
| 332 | A | 75.5 | Confident | 79.5 | Confident | 85 Ų | 85 | 91 Ų | 91 | 70% | 0.702 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.4 | -29 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H330 H336 | H330-A332 VanDerWaalsContact C-N 3.35Å; H330-A332 PolarHBondContact O-N 3.17Å; H330-A332 VanDerWaalsContact O-N 3.15Å; A332-H336 WeakPolarHBondContact O-CB 3.22Å; A332-H336 PolarHBondContact O-N 3.34Å |
| 333 | Q | 74.8 | Confident | 80.2 | Confident | 114 Ų | 114 | 93.4 Ų | 93.4 | 53% | 0.533 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -79.2 | -45.7 | 176.1 | -68.2 | 179.2 | -28.2 | 0 | 0 | 110.6 | H330 Q331 D335 H336 Y337 | H330-Q333 PolarHBondContact ND1-OE1 2.98Å; H330-Q333 PolarHBondContact O-N 3.46Å; Q331-Q333 VanDerWaalsContact C-N 3.31Å; Q331-Q333 PolarHBondContact O-N 3.41Å; Q333-D335 PolarHBondContact O-N 2.84Å; Q333-H336 PolarHBondContact O-N 3.05Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.18Å; Q333-Y337 PolarHBondContact O-N 3.36Å |
| 334 | I | 79.5 | Confident | 80.9 | Confident | 48 Ų | 48 | 95.2 Ų | 95.2 | 25% | 0.246 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 179 | -69.3 | 167.1 | 0 | 0 | 0 | 110.3 | I326 H330 Q331 Y337 L338 | I326-I334 HydrophobicContact CG2-CD1 4.08Å; H330-I334 HydrophobicContact CB-CD1 3.74Å; H330-I334 HydrophobicContact CB-CG1 4.01Å; H330-I334 WeakPolarHBondContact O-CG1 3.42Å; H330-I334 PolarHBondContact O-N 2.96Å; Q331-I334 PolarHBondContact O-N 3.27Å; I334-Y337 PolarHBondContact O-N 2.8Å; I334-L338 HydrophobicContact CG2-CD1 3.78Å; I334-L338 WeakPolarHBondContact O-CB 3.42Å; I334-L338 PolarHBondContact O-N 3.4Å |
| 335 | D | 83.1 | Confident | 81.6 | Confident | 114 Ų | 114 | 98.2 Ų | 98.2 | 61% | 0.61 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.6 | -40.4 | 178.1 | -168 | 52.1 | 0 | 0 | 0 | 112.1 | Q331 Q333 Y337 L338 A339 | Q331-D335 VanDerWaalsContact O-CB 3.29Å; Q331-D335 WeakPolarHBondContact O-CB 3.38Å; Q331-D335 PolarHBondContact O-N 3.46Å; Q333-D335 PolarHBondContact O-N 2.84Å; D335-Y337 PolarHBondContact O-N 3.37Å; D335-L338 PolarHBondContact O-N 3.1Å; D335-A339 VanDerWaalsContact O-CB 3.32Å; D335-A339 WeakPolarHBondContact O-CB 3.28Å; D335-A339 PolarHBondContact O-N 2.98Å |
| 336 | H | 84.6 | Confident | 82.4 | Confident | 117 Ų | 117 | 101.1 Ų | 101.1 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 174.2 | -176.5 | 73.1 | 0 | 0 | 0 | 112.6 | A332 Q333 L340 | A332-H336 WeakPolarHBondContact O-CB 3.22Å; A332-H336 PolarHBondContact O-N 3.34Å; Q333-H336 PolarHBondContact O-N 3.05Å; H336-L340 WeakPolarHBondContact O-CB 3.44Å; H336-L340 PolarHBondContact O-N 3.21Å |
| 337 | Y | 82.6 | Confident | 83.1 | Confident | 159 Ų | 159 | 100.3 Ų | 100.3 | 62% | 0.624 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.9 | -38.8 | 176.2 | -73.3 | -63.6 | 0 | 0 | 0 | 112.5 | Q333 I334 D335 L340 V341 | Q333-Y337 WeakPolarHBondContact O-CD2 3.18Å; Q333-Y337 PolarHBondContact O-N 3.36Å; I334-Y337 PolarHBondContact O-N 2.8Å; D335-Y337 PolarHBondContact O-N 3.37Å; Y337-L340 PolarHBondContact O-N 2.87Å; Y337-V341 WeakPolarHBondContact O-CG2 3.3Å; Y337-V341 PolarHBondContact O-N 3.27Å |
| 338 | L | 83 | Confident | 83.6 | Confident | 99 Ų | 99 | 98.8 Ų | 98.8 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 174 | -98.8 | 150.1 | 0 | 0 | 0 | 111.9 | I334 D335 L340 T342 | I334-L338 HydrophobicContact CG2-CD1 3.78Å; I334-L338 WeakPolarHBondContact O-CB 3.42Å; I334-L338 PolarHBondContact O-N 3.4Å; D335-L338 PolarHBondContact O-N 3.1Å; L338-L340 VanDerWaalsContact C-N 3.34Å; L338-L340 PolarHBondContact O-N 3.33Å; L338-T342 VanDerWaalsContact O-CB 3.26Å; L338-T342 WeakPolarHBondContact O-CB 3.41Å; L338-T342 PolarHBondContact O-N 3.23Å; L338-T342 PolarHBondContact O-OG1 3.34Å |
| 339 | A | 84 | Confident | 84.1 | Confident | 42 Ų | 42 | 96.9 Ų | 96.9 | 35% | 0.347 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D335 T342 N343 | D335-A339 VanDerWaalsContact O-CB 3.32Å; D335-A339 WeakPolarHBondContact O-CB 3.28Å; D335-A339 PolarHBondContact O-N 2.98Å; A339-T342 PolarHBondContact O-N 3.09Å; A339-N343 WeakPolarHBondContact O-CB 3.42Å; A339-N343 PolarHBondContact O-N 3.25Å; A339-N343 PolarHBondContact O-ND2 3.08Å |
| 340 | L | 88.4 | Confident | 84.7 | Confident | 79 Ų | 79 | 92.6 Ų | 92.6 | 41% | 0.414 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | -179.5 | -161.2 | 142.3 | 0 | 0 | 0 | 112.2 | H336 Y337 L338 Q344 | H336-L340 WeakPolarHBondContact O-CB 3.44Å; H336-L340 PolarHBondContact O-N 3.21Å; Y337-L340 PolarHBondContact O-N 2.87Å; L338-L340 VanDerWaalsContact C-N 3.34Å; L338-L340 PolarHBondContact O-N 3.33Å; L340-Q344 PolarHBondContact O-N 3.3Å |
| 341 | V | 88.9 | Confident | 85 | Confident | 88 Ų | 88 | 94.4 Ų | 94.4 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 173.4 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | Y337 N343 Q344 V345 | Y337-V341 WeakPolarHBondContact O-CG2 3.3Å; Y337-V341 PolarHBondContact O-N 3.27Å; V341-N343 VanDerWaalsContact C-N 3.32Å; V341-N343 PolarHBondContact O-N 3.48Å; V341-Q344 PolarHBondContact O-N 3.17Å; V341-V345 HydrophobicContact CG1-CG2 4.25Å; V341-V345 WeakPolarHBondContact O-CG2 3.15Å; V341-V345 PolarHBondContact O-N 3.41Å |
| 342 | T | 89.2 | Confident | 85.5 | Confident | 85 Ų | 85 | 94.2 Ų | 94.2 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 179.4 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | L338 A339 V345 K346 | L338-T342 VanDerWaalsContact O-CB 3.26Å; L338-T342 WeakPolarHBondContact O-CB 3.41Å; L338-T342 PolarHBondContact O-N 3.23Å; L338-T342 PolarHBondContact O-OG1 3.34Å; A339-T342 PolarHBondContact O-N 3.09Å; T342-V345 PolarHBondContact O-N 3Å; T342-K346 WeakPolarHBondContact O-CB 3.32Å; T342-K346 PolarHBondContact O-N 3.31Å |
| 343 | N | 91 | Very high | 85.6 | Confident | 97 Ų | 97 | 96.7 Ų | 96.7 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 173.9 | -76.4 | -61.3 | 0 | 0 | 0 | 111.9 | A339 V341 V345 K346 D347 | A339-N343 WeakPolarHBondContact O-CB 3.42Å; A339-N343 PolarHBondContact O-N 3.25Å; A339-N343 PolarHBondContact O-ND2 3.08Å; V341-N343 VanDerWaalsContact C-N 3.32Å; V341-N343 PolarHBondContact O-N 3.48Å; N343-V345 PolarHBondContact O-N 3.16Å; N343-K346 WeakPolarHBondContact O-CB 3.43Å; N343-K346 PolarHBondContact O-N 3.09Å; N343-D347 WeakPolarHBondContact O-CB 3.24Å; N343-D347 PolarHBondContact O-N 2.85Å |
| 344 | Q | 89.8 | Confident | 85.8 | Confident | 116 Ų | 116 | 98.2 Ų | 98.2 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 176.5 | -73 | -159.7 | 28.2 | 0 | 0 | 113.3 | L340 V341 K346 D347 I348 | L340-Q344 PolarHBondContact O-N 3.3Å; V341-Q344 PolarHBondContact O-N 3.17Å; Q344-K346 VanDerWaalsContact C-N 3.32Å; Q344-D347 PolarHBondContact O-N 2.91Å; Q344-I348 WeakPolarHBondContact O-CB 3.29Å; Q344-I348 WeakPolarHBondContact O-CD1 3.3Å; Q344-I348 WeakPolarHBondContact O-CG1 3.3Å; Q344-I348 PolarHBondContact O-N 3.03Å |
| 345 | V | 89.3 | Confident | 85.4 | Confident | 81 Ų | 81 | 104.6 Ų | 104.6 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 172.9 | 171 | 0 | 0 | 0 | 0 | 110.3 | V341 T342 N343 I348 V349 | V341-V345 HydrophobicContact CG1-CG2 4.25Å; V341-V345 WeakPolarHBondContact O-CG2 3.15Å; V341-V345 PolarHBondContact O-N 3.41Å; T342-V345 PolarHBondContact O-N 3Å; N343-V345 PolarHBondContact O-N 3.16Å; V345-I348 PolarHBondContact O-N 3.3Å; V345-V349 HydrophobicContact CG1-CG2 4.36Å; V345-V349 WeakPolarHBondContact O-CB 3.49Å; V345-V349 VanDerWaalsContact O-CG2 3.28Å; V345-V349 WeakPolarHBondContact O-CG2 3.48Å; V345-V349 PolarHBondContact O-N 3.38Å |
| 346 | K | 90.3 | Very high | 84.6 | Confident | 112 Ų | 112 | 103.7 Ų | 103.7 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 175.4 | -168.5 | 176.8 | -178.6 | -85.7 | 0 | 111.7 | T342 N343 Q344 I348 V349 E350 | T342-K346 WeakPolarHBondContact O-CB 3.32Å; T342-K346 PolarHBondContact O-N 3.31Å; N343-K346 WeakPolarHBondContact O-CB 3.43Å; N343-K346 PolarHBondContact O-N 3.09Å; Q344-K346 VanDerWaalsContact C-N 3.32Å; K346-I348 VanDerWaalsContact C-N 3.3Å; K346-I348 PolarHBondContact O-N 3.06Å; K346-V349 PolarHBondContact O-N 2.84Å; K346-E350 VanDerWaalsContact CE-OE1 3.32Å; K346-E350 WeakPolarHBondContact CE-OE1 3.04Å; K346-E350 IonicContact NZ-OE1 3.1Å; K346-E350 PolarHBondContact NZ-OE1 3.35Å; K346-E350 IonicContact NZ-OE2 3.25Å; K346-E350 WeakPolarHBondContact O-CB 3.33Å; K346-E350 WeakPolarHBondContact O-CG 3.41Å; K346-E350 PolarHBondContact O-N 2.99Å |
| 347 | D | 91.6 | Very high | 83.2 | Confident | 78 Ų | 78 | 103.6 Ų | 103.6 | 42% | 0.417 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.1 | -41.3 | 174.3 | -105.4 | 49.5 | 0 | 0 | 0 | 112.8 | N343 Q344 K351 | N343-D347 WeakPolarHBondContact O-CB 3.24Å; N343-D347 PolarHBondContact O-N 2.85Å; Q344-D347 PolarHBondContact O-N 2.91Å; D347-K351 VanDerWaalsContact O-CB 3.3Å; D347-K351 WeakPolarHBondContact O-CB 3.27Å; D347-K351 WeakPolarHBondContact O-CD 3.13Å; D347-K351 VanDerWaalsContact O-CG 3.27Å; D347-K351 WeakPolarHBondContact O-CG 3.19Å; D347-K351 PolarHBondContact O-N 2.93Å; D347-K351 IonicContact OD2-NZ 3.69Å; D347-K351 PolarHBondContact OD2-NZ 3.34Å |
| 348 | I | 87.2 | Confident | 82.1 | Confident | 93 Ų | 93 | 98.8 Ų | 98.8 | 48% | 0.477 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.7 | -42.8 | 178.3 | -70.2 | 163.4 | 0 | 0 | 0 | 110.4 | Q344 V345 K346 K351 I352 | Q344-I348 WeakPolarHBondContact O-CB 3.29Å; Q344-I348 WeakPolarHBondContact O-CD1 3.3Å; Q344-I348 WeakPolarHBondContact O-CG1 3.3Å; Q344-I348 PolarHBondContact O-N 3.03Å; V345-I348 PolarHBondContact O-N 3.3Å; K346-I348 VanDerWaalsContact C-N 3.3Å; K346-I348 PolarHBondContact O-N 3.06Å; I348-K351 PolarHBondContact O-N 3.41Å; I348-I352 HydrophobicContact CG2-CD1 3.68Å; I348-I352 HydrophobicContact CG2-CG1 4.42Å; I348-I352 WeakPolarHBondContact O-CB 2.91Å; I348-I352 WeakPolarHBondContact O-CD1 3.44Å; I348-I352 WeakPolarHBondContact O-CG1 3.22Å; I348-I352 PolarHBondContact O-N 2.73Å |
| 349 | V | 86.8 | Confident | 80.6 | Confident | 77 Ų | 77 | 102 Ų | 102 | 47% | 0.467 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.9 | 168.2 | 0 | 0 | 0 | 0 | 111 | V345 K346 I352 Q353 | V345-V349 HydrophobicContact CG1-CG2 4.36Å; V345-V349 WeakPolarHBondContact O-CB 3.49Å; V345-V349 VanDerWaalsContact O-CG2 3.28Å; V345-V349 WeakPolarHBondContact O-CG2 3.48Å; V345-V349 PolarHBondContact O-N 3.38Å; K346-V349 PolarHBondContact O-N 2.84Å; V349-I352 PolarHBondContact O-N 3.28Å; V349-Q353 VanDerWaalsContact O-CB 3.26Å; V349-Q353 WeakPolarHBondContact O-CB 3.48Å; V349-Q353 PolarHBondContact O-N 3.45Å |
| 350 | E | 87.1 | Confident | 79 | Confident | 83 Ų | 83 | 109.7 Ų | 109.7 | 39% | 0.388 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.3 | -48.2 | 174.8 | -74.1 | 177.5 | -176.6 | 0 | 0 | 110.9 | K346 I352 Q353 E354 | K346-E350 VanDerWaalsContact CE-OE1 3.32Å; K346-E350 WeakPolarHBondContact CE-OE1 3.04Å; K346-E350 IonicContact NZ-OE1 3.1Å; K346-E350 PolarHBondContact NZ-OE1 3.35Å; K346-E350 IonicContact NZ-OE2 3.25Å; K346-E350 WeakPolarHBondContact O-CB 3.33Å; K346-E350 WeakPolarHBondContact O-CG 3.41Å; K346-E350 PolarHBondContact O-N 2.99Å; E350-I352 VanDerWaalsContact C-N 3.29Å; E350-I352 PolarHBondContact O-N 3.45Å; E350-Q353 CarbonylContact O-C 3.53Å; E350-Q353 PolarHBondContact O-N 2.94Å; E350-Q353 VanDerWaalsContact O-N 3.08Å; E350-E354 WeakPolarHBondContact O-CB 3.43Å; E350-E354 WeakPolarHBondContact O-CG 3.36Å; E350-E354 PolarHBondContact O-N 3.5Å |
| 351 | K | 85.2 | Confident | 77.1 | Confident | 114 Ų | 114 | 117.6 Ų | 117.6 | 50% | 0.496 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.6 | -32.6 | 174.7 | -78.3 | 166.4 | 179.5 | 145.8 | 0 | 113.7 | D347 I348 K355 | D347-K351 VanDerWaalsContact O-CB 3.3Å; D347-K351 WeakPolarHBondContact O-CB 3.27Å; D347-K351 WeakPolarHBondContact O-CD 3.13Å; D347-K351 VanDerWaalsContact O-CG 3.27Å; D347-K351 WeakPolarHBondContact O-CG 3.19Å; D347-K351 PolarHBondContact O-N 2.93Å; D347-K351 IonicContact OD2-NZ 3.69Å; D347-K351 PolarHBondContact OD2-NZ 3.34Å; I348-K351 PolarHBondContact O-N 3.41Å; K351-K355 VanDerWaalsContact O-CB 3.3Å; K351-K355 WeakPolarHBondContact O-CB 3.42Å; K351-K355 VanDerWaalsContact O-CG 3.3Å; K351-K355 WeakPolarHBondContact O-CG 3.21Å; K351-K355 PolarHBondContact O-N 2.78Å; K351-K355 VanDerWaalsContact O-N 3.09Å |
| 352 | I | 84.1 | Confident | 74.8 | Confident | 98 Ų | 98 | 122.4 Ų | 122.4 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.4 | -39 | 173.8 | -71.3 | 166.5 | 0 | 0 | 0 | 110.3 | I348 V349 E350 K355 V356 | I348-I352 HydrophobicContact CG2-CD1 3.68Å; I348-I352 HydrophobicContact CG2-CG1 4.42Å; I348-I352 WeakPolarHBondContact O-CB 2.91Å; I348-I352 WeakPolarHBondContact O-CD1 3.44Å; I348-I352 WeakPolarHBondContact O-CG1 3.22Å; I348-I352 PolarHBondContact O-N 2.73Å; V349-I352 PolarHBondContact O-N 3.28Å; E350-I352 VanDerWaalsContact C-N 3.29Å; E350-I352 PolarHBondContact O-N 3.45Å; I352-K355 CarbonylContact O-C 3.58Å; I352-K355 PolarHBondContact O-N 3.03Å; I352-V356 HydrophobicContact CG2-CG2 4.48Å; I352-V356 WeakPolarHBondContact O-CB 3.4Å; I352-V356 WeakPolarHBondContact O-CG2 3.49Å; I352-V356 PolarHBondContact O-N 3.22Å |
| 353 | Q | 76.9 | Confident | 72.7 | Confident | 136 Ų | 136 | 123.2 Ų | 123.2 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.9 | -34.6 | 178 | -171.2 | 172.4 | -0.4 | 0 | 0 | 112.2 | V349 E350 V356 | V349-Q353 VanDerWaalsContact O-CB 3.26Å; V349-Q353 WeakPolarHBondContact O-CB 3.48Å; V349-Q353 PolarHBondContact O-N 3.45Å; E350-Q353 CarbonylContact O-C 3.53Å; E350-Q353 PolarHBondContact O-N 2.94Å; E350-Q353 VanDerWaalsContact O-N 3.08Å; Q353-V356 CarbonylContact O-C 3.37Å; Q353-V356 VanDerWaalsContact O-C 3.31Å |
| 354 | E | 78.7 | Confident | 70 | Confident | 146 Ų | 146 | 130.2 Ų | 130.2 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.1 | -35.8 | 170.2 | -73 | 180 | 161.3 | 0 | 0 | 112.5 | E350 P357 | E350-E354 WeakPolarHBondContact O-CB 3.43Å; E350-E354 WeakPolarHBondContact O-CG 3.36Å; E350-E354 PolarHBondContact O-N 3.5Å; E354-P357 WeakPolarHBondContact O-CD 3.31Å |
| 355 | K | 71.3 | Confident | 69.1 | Low | 183 Ų | 183 | 131 Ų | 131 | 80% | 0.796 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -84.4 | -15.5 | 176.4 | -74.9 | -177.2 | 172.7 | -171.5 | 0 | 114.5 | K351 I352 P357 | K351-K355 VanDerWaalsContact O-CB 3.3Å; K351-K355 WeakPolarHBondContact O-CB 3.42Å; K351-K355 VanDerWaalsContact O-CG 3.3Å; K351-K355 WeakPolarHBondContact O-CG 3.21Å; K351-K355 PolarHBondContact O-N 2.78Å; K351-K355 VanDerWaalsContact O-N 3.09Å; I352-K355 CarbonylContact O-C 3.58Å; I352-K355 PolarHBondContact O-N 3.03Å; K355-P357 WeakPolarHBondContact O-CD 3.46Å |
| 356 | V | 66.8 | Low | 68 | Low | 95 Ų | 95 | 133.6 Ų | 133.6 | 58% | 0.576 | 67% | 0.671 | S | S | * | * | trans | -124.3 | 62.9 | 172.5 | -167.8 | 0 | 0 | 0 | 0 | 109.8 | I352 Q353 G358 | I352-V356 HydrophobicContact CG2-CG2 4.48Å; I352-V356 WeakPolarHBondContact O-CB 3.4Å; I352-V356 WeakPolarHBondContact O-CG2 3.49Å; I352-V356 PolarHBondContact O-N 3.22Å; Q353-V356 CarbonylContact O-C 3.37Å; Q353-V356 VanDerWaalsContact O-C 3.31Å; V356-G358 PolarHBondContact O-N 2.97Å | ||
| 357 | P | 54.5 | Low | 66.8 | Low | 114 Ų | 114 | 134.8 Ų | 134.8 | 74% | 0.74 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 55.2 | -179.4 | 36.7 | -36.6 | 0 | 0 | 0 | 110.4 | E354 K355 | E354-P357 WeakPolarHBondContact O-CD 3.31Å; K355-P357 WeakPolarHBondContact O-CD 3.46Å |
| 358 | G | 59.6 | Low | 65.3 | Low | 59 Ų | 59 | 138.1 Ų | 138.1 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | -22.3 | -158.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | V356 | V356-G358 PolarHBondContact O-N 2.97Š|
| 359 | L | 51.6 | Low | 63.9 | Low | 166 Ų | 166 | 140.9 Ų | 140.9 | 87% | 0.869 | 71% | 0.711 | S | S | * | * | trans | -133.9 | 68.7 | -176.8 | -141.7 | 76.5 | 0 | 0 | 0 | 113.2 | R361 | L359-R361 PolarHBondContact O-N 3.19Š| ||
| 360 | K | 51.8 | Low | 62.4 | Low | 204 Ų | 204 | 145.2 Ų | 145.2 | 89% | 0.887 | 73% | 0.727 | S | S | * | * | trans | -58.2 | 120.1 | 157.5 | -63.4 | -171.3 | 179.9 | -172.9 | 0 | 107.3 | K362 | K360-K362 PolarHBondContact O-N 3.41Å; K360-K362 VanDerWaalsContact O-N 3.16Å | ||
| 361 | R | 48 | Very low | 60.7 | Low | 245 Ų | 245 | 149.6 Ų | 149.6 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -51.3 | 124.6 | 166.3 | -91.6 | -175.4 | 165.6 | 117.3 | -4.4 | 107.5 | L359 A363 | L359-R361 PolarHBondContact O-N 3.19Å; R361-A363 PolarHBondContact O-N 3.48Å | ||
| 362 | K | 40 | Very low | 58.8 | Low | 189 Ų | 189 | 152.4 Ų | 152.4 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -63.6 | 107.2 | 159.2 | -83 | -162.1 | 164.7 | -148.4 | 0 | 107 | K360 | K360-K362 PolarHBondContact O-N 3.41Å; K360-K362 VanDerWaalsContact O-N 3.16Å | ||
| 363 | A | 45 | Very low | 56.7 | Low | 102 Ų | 102 | 156.9 Ų | 156.9 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -83.8 | 109 | 149.9 | 0 | 0 | 0 | 0 | 0 | 106 | R361 | R361-A363 PolarHBondContact O-N 3.48Š| ||
| 364 | E | 35.7 | Very low | 54.8 | Low | 244 Ų | 244 | 158.8 Ų | 158.8 | 100% | 1.14 | 81% | 0.808 | S | S | * | * | trans | -145.4 | 0 | 157.7 | -160.9 | 176.5 | 148.2 | 0 | 0 | 106.4 |
Retrieved 364 of 364 residues in 401.6 ms
(Link to these results)