| 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 | 36.7 | Very low | 36.2 | Very low | 246 Ų | 246 | 160.8 Ų | 160.8 | 100% | 1.212 | 86% | 0.856 | S | S | * | * | 0 | 96.4 | 0 | -143.3 | 155 | -167.2 | 0 | 0 | 105.9 | |||||
| 2 | A | 37.6 | Very low | 35.9 | Very low | 89 Ų | 89 | 163 Ų | 163 | 74% | 0.736 | 86% | 0.861 | S | S | * | * | cis | -132.5 | 137 | 17.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | D | 34.8 | Very low | 35.8 | Very low | 143 Ų | 143 | 162.7 Ų | 162.7 | 77% | 0.765 | 86% | 0.86 | S | S | * | * | 60.4 | 97.8 | 74.6 | -65 | -39.8 | 0 | 0 | 0 | 114.5 | |||||
| 4 | I | 39.5 | Very low | 36.2 | Very low | 177 Ų | 177 | 159.5 Ų | 159.5 | 91% | 0.908 | 85% | 0.854 | S | S | * | * | trans | -144.1 | 112 | 140.9 | -61.2 | -173 | 0 | 0 | 0 | 108.4 | ||||
| 5 | D | 38 | Very low | 36.4 | Very low | 139 Ų | 139 | 154.5 Ų | 154.5 | 74% | 0.743 | 84% | 0.843 | S | S | * | * | trans | -84.2 | 146.6 | 168.5 | -111.2 | -49.7 | 0 | 0 | 0 | 111.5 | ||||
| 6 | N | 33.6 | Very low | 36.4 | Very low | 145 Ų | 145 | 153.7 Ų | 153.7 | 78% | 0.775 | 84% | 0.838 | S | S | * | * | trans | 159.5 | 104.6 | 137.6 | -112.9 | 17.3 | 0 | 0 | 0 | 107.6 | ||||
| 7 | K | 36 | Very low | 36.3 | Very low | 175 Ų | 175 | 153.3 Ų | 153.3 | 76% | 0.761 | 83% | 0.831 | S | S | * | * | 55.1 | 102.9 | 62.4 | -128.2 | -175.6 | -168.9 | 179.7 | 0 | 113 | |||||
| 8 | D | 35.3 | Very low | 36.4 | Very low | 164 Ų | 164 | 154.6 Ų | 154.6 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | trans | -159.4 | 97.5 | 139.3 | -90.4 | -28.1 | 0 | 0 | 0 | 109.1 | ||||
| 9 | Q | 35.5 | Very low | 36.5 | Very low | 197 Ų | 197 | 154.7 Ų | 154.7 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -99.8 | 113.2 | 161.9 | -118.9 | 174.3 | -0.6 | 0 | 0 | 104.6 | ||||
| 10 | A | 35.4 | Very low | 36.7 | Very low | 95 Ų | 95 | 154.5 Ų | 154.5 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | -108.6 | 105.8 | 172 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 11 | E | 35.6 | Very low | 36.6 | Very low | 199 Ų | 199 | 155.6 Ų | 155.6 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | trans | -61.1 | 130.1 | 160.5 | -73.6 | 174.7 | 139.6 | 0 | 0 | 108.7 | ||||
| 12 | M | 33.3 | Very low | 36.4 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -100.3 | 113.2 | 166.9 | -77.3 | -177 | 78.1 | 0 | 0 | 108.7 | ||||
| 13 | D | 34.4 | Very low | 36.3 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -73.7 | 139.6 | 170.4 | -119.1 | -25.3 | 0 | 0 | 0 | 110.1 | A15 | D13-A15 PolarHBondContact O-N 3.48Š| ||
| 14 | P | 41.2 | Very low | 36.4 | Very low | 118 Ų | 118 | 155.6 Ų | 155.6 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -98.8 | 80.1 | -173.9 | 36.9 | -29.8 | 0 | 0 | 0 | 111.3 | ||
| 15 | A | 39.6 | Very low | 36.3 | Very low | 85 Ų | 85 | 155.9 Ų | 155.9 | 70% | 0.702 | 82% | 0.823 | S | S | * | * | trans | -173.3 | 99.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D13 | D13-A15 PolarHBondContact O-N 3.48Š| ||
| 16 | D | 35.4 | Very low | 36 | Very low | 141 Ų | 141 | 157.8 Ų | 157.8 | 75% | 0.754 | 83% | 0.828 | S | S | * | * | trans | 174 | 98.9 | 140 | -92.8 | -19 | 0 | 0 | 0 | 107.7 | ||||
| 17 | M | 35.8 | Very low | 36.5 | Very low | 147 Ų | 147 | 158 Ų | 158 | 72% | 0.724 | 82% | 0.824 | S | S | * | * | 80.6 | 102.7 | 107.9 | -89.2 | -165.1 | -83.6 | 0 | 0 | 112.5 | |||||
| 18 | E | 37.9 | Very low | 36.7 | Very low | 176 Ų | 176 | 156.1 Ų | 156.1 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | 80.7 | 135.3 | 87.3 | -83.6 | -172.6 | 168.5 | 0 | 0 | 112.1 | |||||
| 19 | D | 38.9 | Very low | 37.3 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | 76.2 | 93 | -180 | -72.9 | -18.8 | 0 | 0 | 0 | 118.9 | ||||
| 20 | V | 39.3 | Very low | 37.9 | Very low | 151 Ų | 151 | 148.6 Ų | 148.6 | 92% | 0.915 | 81% | 0.807 | S | S | * | * | trans | -134.5 | 125.2 | 137.8 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 21 | E | 34.3 | Very low | 38.6 | Very low | 178 Ų | 178 | 149.5 Ų | 149.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -57.8 | 146 | -165.9 | -63.3 | 170.3 | 150.6 | 0 | 0 | 115.7 | V23 | E21-V23 PolarHBondContact O-N 3.34Š| ||
| 22 | D | 33.4 | Very low | 39.2 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -52 | 120.5 | 164.7 | -87 | -44.8 | 0 | 0 | 0 | 110.9 | ||||
| 23 | V | 34.7 | Very low | 40.1 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -96.1 | 104.6 | 162.8 | -178.9 | 0 | 0 | 0 | 0 | 107.1 | E21 E25 | E21-V23 PolarHBondContact O-N 3.34Å; V23-E25 PolarHBondContact O-N 2.88Å; V23-E25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | E | 38.1 | Very low | 40.9 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -62.8 | 105.7 | 168 | -67 | -176.6 | 155.8 | 0 | 0 | 109.3 | ||||
| 25 | E | 36.5 | Very low | 41.4 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | -88.5 | 113.7 | 160.2 | -79.1 | -168 | 164.2 | 0 | 0 | 108.9 | V23 E27 | V23-E25 PolarHBondContact O-N 2.88Å; V23-E25 VanDerWaalsContact O-N 3.14Å; E25-E27 PolarHBondContact O-N 2.86Å | ||
| 26 | E | 31.2 | Very low | 42 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | trans | -60.2 | 119.5 | 178 | -68.5 | -168.4 | 152.9 | 0 | 0 | 112.3 | T28 | E26-T28 PolarHBondContact O-N 2.79Š| ||
| 27 | E | 44.2 | Very low | 43 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -59.8 | 112.7 | 164.2 | -86.6 | -170.8 | 157.7 | 0 | 0 | 110.9 | E25 | E25-E27 PolarHBondContact O-N 2.86Š| ||
| 28 | T | 41.6 | Very low | 44.1 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -138.6 | 83.5 | 155.5 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | E26 | E26-T28 PolarHBondContact O-N 2.79Š| ||
| 29 | G | 47.4 | Very low | 44.9 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 159.2 | 15.9 | 165 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 30 | E | 47.8 | Very low | 45.7 | Very low | 129 Ų | 129 | 131 Ų | 131 | 60% | 0.603 | 69% | 0.686 | S | S | * | * | trans | -90.9 | -0.3 | -162.8 | -68 | -140.4 | 141 | 0 | 0 | 118.7 | S34 | E30-S34 VanDerWaalsContact O-CB 3.28Å; E30-S34 WeakPolarHBondContact O-CB 3.27Å; E30-S34 PolarHBondContact O-N 2.9Å | ||
| 31 | D | 50.8 | Low | 46.8 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 60% | 0.604 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -84.6 | -23.1 | -161 | -128.5 | -31.3 | 0 | 0 | 0 | 116.1 | K35 | D31-K35 WeakPolarHBondContact O-CD 3.24Å; D31-K35 WeakPolarHBondContact O-CG 3.35Å; D31-K35 WeakPolarHBondContact OD1-CE 3.43Å; D31-K35 IonicContact OD1-NZ 2.73Å; D31-K35 PolarHBondContact OD1-NZ 3.47Å |
| 32 | E | 46.6 | Very low | 48.1 | Very low | 175 Ų | 175 | 125.2 Ų | 125.2 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -93.3 | -35.4 | 179 | -68.8 | -160.7 | 152.9 | 0 | 0 | 113.4 | A36 | E32-A36 WeakPolarHBondContact O-CB 3.48Å; E32-A36 PolarHBondContact O-N 3.17Å |
| 33 | N | 52.7 | Low | 49.4 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 54% | 0.535 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -77.1 | -32.3 | -177 | -162.7 | 27.1 | 0 | 0 | 0 | 112 | R37 | N33-R37 WeakPolarHBondContact O-CB 3.37Å; N33-R37 WeakPolarHBondContact O-CG 3.2Å; N33-R37 PolarHBondContact O-N 3.11Å; N33-R37 VanDerWaalsContact O-N 3.09Å |
| 34 | S | 51 | Low | 50.8 | Low | 59 Ų | 59 | 122 Ų | 122 | 41% | 0.413 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.2 | -48.2 | 172 | 174.4 | 0 | 0 | 0 | 0 | 111 | E30 A36 R37 Q38 | E30-S34 VanDerWaalsContact O-CB 3.28Å; E30-S34 WeakPolarHBondContact O-CB 3.27Å; E30-S34 PolarHBondContact O-N 2.9Å; S34-A36 PolarHBondContact O-N 3.3Å; S34-R37 PolarHBondContact O-N 3.02Å; S34-Q38 WeakPolarHBondContact O-CB 3.34Å; S34-Q38 PolarHBondContact O-N 2.97Å |
| 35 | K | 52.7 | Low | 52.2 | Low | 118 Ų | 118 | 120 Ų | 120 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.5 | -40.3 | 177.8 | -71.8 | 175.1 | -169.3 | 138.8 | 0 | 112.6 | D31 R37 Q38 L39 | D31-K35 WeakPolarHBondContact O-CD 3.24Å; D31-K35 WeakPolarHBondContact O-CG 3.35Å; D31-K35 WeakPolarHBondContact OD1-CE 3.43Å; D31-K35 IonicContact OD1-NZ 2.73Å; D31-K35 PolarHBondContact OD1-NZ 3.47Å; K35-R37 PolarHBondContact O-N 3.41Å; K35-Q38 PolarHBondContact O-N 2.88Å; K35-L39 VanDerWaalsContact O-CB 3.28Å; K35-L39 WeakPolarHBondContact O-CB 3.27Å; K35-L39 PolarHBondContact O-N 3.03Å |
| 36 | A | 51.3 | Low | 53.9 | Low | 50 Ų | 50 | 114.1 Ų | 114.1 | 41% | 0.413 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.6 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E32 S34 T40 | E32-A36 WeakPolarHBondContact O-CB 3.48Å; E32-A36 PolarHBondContact O-N 3.17Å; S34-A36 PolarHBondContact O-N 3.3Å; A36-T40 WeakPolarHBondContact O-CB 3.4Å; A36-T40 PolarHBondContact O-N 3.42Å; A36-T40 PolarHBondContact O-OG1 2.93Å |
| 37 | R | 56.2 | Low | 55.4 | Low | 172 Ų | 172 | 110.3 Ų | 110.3 | 65% | 0.649 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.3 | -45 | 173.7 | -77.6 | 176.5 | 176.2 | -179.9 | -1.1 | 111.8 | N33 S34 K35 L39 T40 V41 | N33-R37 WeakPolarHBondContact O-CB 3.37Å; N33-R37 WeakPolarHBondContact O-CG 3.2Å; N33-R37 PolarHBondContact O-N 3.11Å; N33-R37 VanDerWaalsContact O-N 3.09Å; S34-R37 PolarHBondContact O-N 3.02Å; K35-R37 PolarHBondContact O-N 3.41Å; R37-L39 PolarHBondContact O-N 3.29Å; R37-T40 PolarHBondContact O-N 2.61Å; R37-V41 VanDerWaalsContact O-CG2 3.29Å; R37-V41 WeakPolarHBondContact O-CG2 3.44Å; R37-V41 PolarHBondContact O-N 2.78Å |
| 38 | Q | 58.8 | Low | 56.7 | Low | 133 Ų | 133 | 110.4 Ų | 110.4 | 62% | 0.621 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.1 | -42.8 | 177.2 | -125.5 | 170.3 | 12.5 | 0 | 0 | 111.7 | S34 K35 V41 Q42 | S34-Q38 WeakPolarHBondContact O-CB 3.34Å; S34-Q38 PolarHBondContact O-N 2.97Å; K35-Q38 PolarHBondContact O-N 2.88Å; Q38-V41 PolarHBondContact O-N 3.37Å; Q38-Q42 VanDerWaalsContact O-CB 3.28Å; Q38-Q42 WeakPolarHBondContact O-CB 3.47Å; Q38-Q42 PolarHBondContact O-N 3.13Å |
| 39 | L | 55.3 | Low | 58 | Low | 98 Ų | 98 | 107.3 Ų | 107.3 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.6 | -40.6 | 176.8 | -149.9 | 91.5 | 0 | 0 | 0 | 111.5 | K35 R37 Q42 M43 | K35-L39 VanDerWaalsContact O-CB 3.28Å; K35-L39 WeakPolarHBondContact O-CB 3.27Å; K35-L39 PolarHBondContact O-N 3.03Å; R37-L39 PolarHBondContact O-N 3.29Å; L39-Q42 PolarHBondContact O-N 2.79Å; L39-M43 HydrophobicContact CD2-CE 3.88Å; L39-M43 HydrophobicContact CD2-SD 4.49Å; L39-M43 HydrophobicContact CG-CE 4.4Å; L39-M43 WeakPolarHBondContact O-CB 3.35Å; L39-M43 VanDerWaalsContact O-CG 3.24Å; L39-M43 WeakPolarHBondContact O-CG 3.49Å; L39-M43 PolarHBondContact O-N 2.85Å |
| 40 | T | 56.4 | Low | 58.8 | Low | 75 Ų | 75 | 107.5 Ų | 107.5 | 46% | 0.46 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 177.1 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | A36 R37 M43 M44 | A36-T40 WeakPolarHBondContact O-CB 3.4Å; A36-T40 PolarHBondContact O-N 3.42Å; A36-T40 PolarHBondContact O-OG1 2.93Å; R37-T40 PolarHBondContact O-N 2.61Å; T40-M43 PolarHBondContact O-N 2.82Å; T40-M44 WeakPolarHBondContact O-CG 3.24Å; T40-M44 PolarHBondContact O-N 3.49Å |
| 41 | V | 61.5 | Low | 59.8 | Low | 77 Ų | 77 | 104 Ų | 104 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 174.5 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | R37 Q38 M43 M44 Q45 | R37-V41 VanDerWaalsContact O-CG2 3.29Å; R37-V41 WeakPolarHBondContact O-CG2 3.44Å; R37-V41 PolarHBondContact O-N 2.78Å; Q38-V41 PolarHBondContact O-N 3.37Å; V41-M43 VanDerWaalsContact C-N 3.35Å; V41-M43 PolarHBondContact O-N 2.83Å; V41-M44 PolarHBondContact O-N 2.96Å; V41-Q45 VanDerWaalsContact O-CG 3.3Å; V41-Q45 WeakPolarHBondContact O-CG 3.31Å; V41-Q45 PolarHBondContact O-N 3.06Å |
| 42 | Q | 62.8 | Low | 60.6 | Low | 132 Ų | 132 | 101.1 Ų | 101.1 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.9 | -33.1 | 178.5 | -160.1 | 173.1 | 15.4 | 0 | 0 | 112.4 | Q38 L39 Q45 N46 | Q38-Q42 VanDerWaalsContact O-CB 3.28Å; Q38-Q42 WeakPolarHBondContact O-CB 3.47Å; Q38-Q42 PolarHBondContact O-N 3.13Å; L39-Q42 PolarHBondContact O-N 2.79Å; Q42-Q45 PolarHBondContact O-N 3Å; Q42-N46 PolarHBondContact O-N 3.36Å |
| 43 | M | 59.8 | Low | 61.3 | Low | 96 Ų | 96 | 96.9 Ų | 96.9 | 47% | 0.473 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 172.3 | -75.6 | 178 | 168.6 | 0 | 0 | 112.3 | L39 T40 V41 Q45 N46 I49 | L39-M43 HydrophobicContact CD2-CE 3.88Å; L39-M43 HydrophobicContact CD2-SD 4.49Å; L39-M43 HydrophobicContact CG-CE 4.4Å; L39-M43 WeakPolarHBondContact O-CB 3.35Å; L39-M43 VanDerWaalsContact O-CG 3.24Å; L39-M43 WeakPolarHBondContact O-CG 3.49Å; L39-M43 PolarHBondContact O-N 2.85Å; T40-M43 PolarHBondContact O-N 2.82Å; V41-M43 VanDerWaalsContact C-N 3.35Å; V41-M43 PolarHBondContact O-N 2.83Å; M43-Q45 VanDerWaalsContact C-N 3.27Å; M43-Q45 PolarHBondContact O-N 2.78Å; M43-N46 PolarHBondContact O-N 3.09Å; M43-I49 HydrophobicContact CB-CD1 4.16Å; M43-I49 HydrophobicContact CG-CD1 4.08Å |
| 44 | M | 63.8 | Low | 61.7 | Low | 129 Ų | 129 | 98.2 Ų | 98.2 | 64% | 0.635 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -73.3 | -14.6 | 174.7 | -76.3 | 179.8 | 153.6 | 0 | 0 | 113.7 | T40 V41 L50 | T40-M44 WeakPolarHBondContact O-CG 3.24Å; T40-M44 PolarHBondContact O-N 3.49Å; V41-M44 PolarHBondContact O-N 2.96Å; M44-L50 VanDerWaalsContact O-CD1 3.23Å; M44-L50 WeakPolarHBondContact O-CD1 3.39Å |
| 45 | Q | 68.2 | Low | 62.4 | Low | 142 Ų | 142 | 102.5 Ų | 102.5 | 66% | 0.664 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -7 | 174.5 | -74 | 173.9 | -4.4 | 0 | 0 | 113.1 | V41 Q42 M43 P47 | V41-Q45 VanDerWaalsContact O-CG 3.3Å; V41-Q45 WeakPolarHBondContact O-CG 3.31Å; V41-Q45 PolarHBondContact O-N 3.06Å; Q42-Q45 PolarHBondContact O-N 3Å; M43-Q45 VanDerWaalsContact C-N 3.27Å; M43-Q45 PolarHBondContact O-N 2.78Å; Q45-P47 VanDerWaalsContact O-CD 3.31Å; Q45-P47 WeakPolarHBondContact O-CD 3.46Å |
| 46 | N | 72 | Confident | 62.8 | Low | 59 Ų | 59 | 105.8 Ų | 105.8 | 32% | 0.316 | 54% | 0.538 | S | S | . | . | trans | -85.5 | 113.4 | 178.7 | -171.1 | -22.6 | 0 | 0 | 0 | 110.2 | Q42 M43 Q48 I49 L50 | Q42-N46 PolarHBondContact O-N 3.36Å; M43-N46 PolarHBondContact O-N 3.09Å; N46-Q48 PolarHBondContact O-N 2.91Å; N46-Q48 VanDerWaalsContact O-N 3.12Å; N46-Q48 PolarHBondContact OD1-N 2.67Å; N46-Q48 VanDerWaalsContact OD1-N 3.1Å; N46-I49 HydrophobicContact CB-CB 4.16Å; N46-I49 HydrophobicContact CB-CD1 3.93Å; N46-I49 HydrophobicContact CB-CG1 3.97Å; N46-I49 PolarHBondContact O-N 3.07Å; N46-L50 PolarHBondContact O-N 3.42Å | ||
| 47 | P | 63.6 | Low | 63 | Low | 99 Ų | 99 | 106.6 Ų | 106.6 | 64% | 0.643 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.2 | -28.2 | -177 | -22 | 33.1 | 0 | 0 | 0 | 113.3 | Q45 A51 | Q45-P47 VanDerWaalsContact O-CD 3.31Å; Q45-P47 WeakPolarHBondContact O-CD 3.46Å; P47-A51 WeakPolarHBondContact O-CB 3.46Å; P47-A51 PolarHBondContact O-N 2.95Å |
| 48 | Q | 70.8 | Confident | 63 | Low | 153 Ų | 153 | 104.2 Ų | 104.2 | 72% | 0.715 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -76 | -32 | 178.4 | -64.9 | 179.1 | -15.5 | 0 | 0 | 112.5 | N46 A52 | N46-Q48 PolarHBondContact O-N 2.91Å; N46-Q48 VanDerWaalsContact O-N 3.12Å; N46-Q48 PolarHBondContact OD1-N 2.67Å; N46-Q48 VanDerWaalsContact OD1-N 3.1Å; Q48-A52 VanDerWaalsContact O-CB 3.25Å; Q48-A52 WeakPolarHBondContact O-CB 3.36Å; Q48-A52 PolarHBondContact O-N 3.1Å |
| 49 | I | 67.7 | Low | 62.8 | Low | 71 Ų | 71 | 101.1 Ų | 101.1 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -76.1 | -40.3 | 175.9 | -62.9 | 179.7 | 0 | 0 | 0 | 109.6 | M43 N46 A52 L53 | M43-I49 HydrophobicContact CB-CD1 4.16Å; M43-I49 HydrophobicContact CG-CD1 4.08Å; N46-I49 HydrophobicContact CB-CB 4.16Å; N46-I49 HydrophobicContact CB-CD1 3.93Å; N46-I49 HydrophobicContact CB-CG1 3.97Å; N46-I49 PolarHBondContact O-N 3.07Å; I49-A52 PolarHBondContact O-N 2.87Å; I49-L53 VanDerWaalsContact O-CB 3.3Å; I49-L53 WeakPolarHBondContact O-CB 3.44Å; I49-L53 PolarHBondContact O-N 3.19Å |
| 50 | L | 65.9 | Low | 62.5 | Low | 78 Ų | 78 | 98.9 Ų | 98.9 | 41% | 0.408 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 171.8 | -74.2 | 176 | 0 | 0 | 0 | 111.4 | M44 N46 L53 Q54 | M44-L50 VanDerWaalsContact O-CD1 3.23Å; M44-L50 WeakPolarHBondContact O-CD1 3.39Å; N46-L50 PolarHBondContact O-N 3.42Å; L50-L53 PolarHBondContact O-N 2.8Å; L50-Q54 WeakPolarHBondContact O-CB 3.37Å; L50-Q54 PolarHBondContact O-N 2.87Å |
| 51 | A | 68.8 | Low | 62 | Low | 55 Ų | 55 | 102.6 Ų | 102.6 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P47 Q54 E55 | P47-A51 WeakPolarHBondContact O-CB 3.46Å; P47-A51 PolarHBondContact O-N 2.95Å; A51-Q54 PolarHBondContact O-N 2.83Å; A51-E55 VanDerWaalsContact O-CB 3.25Å; A51-E55 WeakPolarHBondContact O-CB 3.49Å; A51-E55 PolarHBondContact O-N 3.46Å |
| 52 | A | 66.1 | Low | 61.6 | Low | 52 Ų | 52 | 102.3 Ų | 102.3 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.9 | -31.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q48 I49 R56 | Q48-A52 VanDerWaalsContact O-CB 3.25Å; Q48-A52 WeakPolarHBondContact O-CB 3.36Å; Q48-A52 PolarHBondContact O-N 3.1Å; I49-A52 PolarHBondContact O-N 2.87Å; A52-R56 VanDerWaalsContact O-CB 3.29Å; A52-R56 WeakPolarHBondContact O-CB 3.46Å; A52-R56 PolarHBondContact O-N 2.92Å; A52-R56 VanDerWaalsContact O-N 3.16Å |
| 53 | L | 61.4 | Low | 60.8 | Low | 87 Ų | 87 | 100 Ų | 100 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69 | -40.2 | 172.4 | -153 | 86.6 | 0 | 0 | 0 | 110.1 | I49 L50 R56 L57 | I49-L53 VanDerWaalsContact O-CB 3.3Å; I49-L53 WeakPolarHBondContact O-CB 3.44Å; I49-L53 PolarHBondContact O-N 3.19Å; L50-L53 PolarHBondContact O-N 2.8Å; L53-R56 PolarHBondContact O-N 3.33Å; L53-L57 HydrophobicContact CD2-CD1 4.31Å; L53-L57 HydrophobicContact CG-CD1 4.32Å; L53-L57 WeakPolarHBondContact O-CB 3.35Å; L53-L57 WeakPolarHBondContact O-CD1 3.21Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 2.79Å |
| 54 | Q | 62.1 | Low | 60.6 | Low | 128 Ų | 128 | 100.8 Ų | 100.8 | 60% | 0.598 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.7 | -39.5 | 179.9 | -166.8 | 138.9 | -2.9 | 0 | 0 | 112.2 | L50 A51 R56 L57 D58 | L50-Q54 WeakPolarHBondContact O-CB 3.37Å; L50-Q54 PolarHBondContact O-N 2.87Å; A51-Q54 PolarHBondContact O-N 2.83Å; Q54-R56 VanDerWaalsContact C-N 3.29Å; Q54-R56 PolarHBondContact O-N 3.14Å; Q54-L57 CarbonylContact O-C 3.58Å; Q54-L57 WeakPolarHBondContact O-CB 3.49Å; Q54-L57 PolarHBondContact O-N 2.9Å; Q54-D58 WeakPolarHBondContact O-CB 3.38Å; Q54-D58 PolarHBondContact O-N 2.73Å |
| 55 | E | 65.4 | Low | 60.4 | Low | 148 Ų | 148 | 98.4 Ų | 98.4 | 69% | 0.692 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.4 | -36.3 | 171.6 | -173.9 | -177.1 | 178.3 | 0 | 0 | 111.4 | A51 G59 | A51-E55 VanDerWaalsContact O-CB 3.25Å; A51-E55 WeakPolarHBondContact O-CB 3.49Å; A51-E55 PolarHBondContact O-N 3.46Å; E55-G59 PolarHBondContact O-N 2.88Å |
| 56 | R | 60.3 | Low | 60.3 | Low | 188 Ų | 188 | 93.6 Ų | 93.6 | 71% | 0.709 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -75.3 | -31.8 | 175.3 | -157.3 | 173.6 | 178.1 | 179.8 | -1 | 112.4 | A52 L53 Q54 L60 | A52-R56 VanDerWaalsContact O-CB 3.29Å; A52-R56 WeakPolarHBondContact O-CB 3.46Å; A52-R56 PolarHBondContact O-N 2.92Å; A52-R56 VanDerWaalsContact O-N 3.16Å; L53-R56 PolarHBondContact O-N 3.33Å; Q54-R56 VanDerWaalsContact C-N 3.29Å; Q54-R56 PolarHBondContact O-N 3.14Å; R56-L60 VanDerWaalsContact O-CD1 3.23Å; R56-L60 WeakPolarHBondContact O-CD1 3.31Å; R56-L60 VanDerWaalsContact O-CG 3.29Å; R56-L60 WeakPolarHBondContact O-CG 3.08Å; R56-L60 PolarHBondContact O-N 3.49Å |
| 57 | L | 57.2 | Low | 60.6 | Low | 66 Ų | 66 | 94.6 Ų | 94.6 | 35% | 0.346 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.1 | -41.1 | 171.1 | -87.7 | 150.8 | 0 | 0 | 0 | 111.4 | L53 Q54 G59 L60 Y67 | L53-L57 HydrophobicContact CD2-CD1 4.31Å; L53-L57 HydrophobicContact CG-CD1 4.32Å; L53-L57 WeakPolarHBondContact O-CB 3.35Å; L53-L57 WeakPolarHBondContact O-CD1 3.21Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 2.79Å; Q54-L57 CarbonylContact O-C 3.58Å; Q54-L57 WeakPolarHBondContact O-CB 3.49Å; Q54-L57 PolarHBondContact O-N 2.9Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 PolarHBondContact O-N 2.84Å; L57-L60 WeakPolarHBondContact O-CB 3.41Å; L57-L60 PolarHBondContact O-N 2.96Å; L57-L60 VanDerWaalsContact O-N 3.11Å; L57-Y67 HydrophobicContact CD1-CE2 4.49Å; L57-Y67 HydrophobicContact CD2-CD2 4.36Å; L57-Y67 HydrophobicContact CD2-CE1 4.1Å; L57-Y67 HydrophobicContact CD2-CE2 3.85Å; L57-Y67 HydrophobicContact CG-CE2 4Å |
| 58 | D | 54.5 | Low | 61.5 | Low | 122 Ų | 122 | 92.7 Ų | 92.7 | 65% | 0.652 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.6 | -37.9 | 173.3 | -96.5 | -0 | 0 | 0 | 0 | 111.5 | Q54 L60 | Q54-D58 WeakPolarHBondContact O-CB 3.38Å; Q54-D58 PolarHBondContact O-N 2.73Å; D58-L60 PolarHBondContact O-N 2.78Å |
| 59 | G | 55.4 | Low | 62 | Low | 69 Ų | 69 | 91.9 Ų | 91.9 | 71% | 0.711 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -3.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E55 L57 | E55-G59 PolarHBondContact O-N 2.88Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 PolarHBondContact O-N 2.84Å |
| 60 | L | 49.4 | Very low | 62.8 | Low | 51 Ų | 51 | 92.1 Ų | 92.1 | 27% | 0.267 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 4.3 | -179 | -83.9 | 163.7 | 0 | 0 | 0 | 113.4 | R56 L57 D58 G62 S63 Y67 | R56-L60 VanDerWaalsContact O-CD1 3.23Å; R56-L60 WeakPolarHBondContact O-CD1 3.31Å; R56-L60 VanDerWaalsContact O-CG 3.29Å; R56-L60 WeakPolarHBondContact O-CG 3.08Å; R56-L60 PolarHBondContact O-N 3.49Å; L57-L60 WeakPolarHBondContact O-CB 3.41Å; L57-L60 PolarHBondContact O-N 2.96Å; L57-L60 VanDerWaalsContact O-N 3.11Å; D58-L60 PolarHBondContact O-N 2.78Å; L60-G62 PolarHBondContact O-N 2.97Å; L60-S63 PolarHBondContact O-N 3.42Å; L60-Y67 HydrophobicContact CD1-CD2 3.65Å; L60-Y67 HydrophobicContact CD1-CG 3.97Å |
| 61 | N | 45.1 | Very low | 63.9 | Low | 152 Ų | 152 | 89.7 Ų | 89.7 | 81% | 0.813 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 96.2 | 169.7 | -106.2 | 26.9 | 0 | 0 | 0 | 109.5 | ||
| 62 | G | 52.5 | Low | 65.1 | Low | 72 Ų | 72 | 91 Ų | 91 | 74% | 0.742 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.3 | 1.2 | 174 | 0 | 0 | 0 | 0 | 0 | 117.1 | L60 | L60-G62 PolarHBondContact O-N 2.97Š|
| 63 | S | 47.7 | Very low | 66.3 | Low | 82 Ų | 82 | 97 Ų | 97 | 57% | 0.573 | 55% | 0.547 | S | S | * | . | trans | -143.8 | 89.5 | 173.1 | -76.8 | 0 | 0 | 0 | 0 | 112.7 | L60 S65 | L60-S63 PolarHBondContact O-N 3.42Å; S63-S65 VanDerWaalsContact C-N 3.35Å; S63-S65 PolarHBondContact O-N 2.79Å | ||
| 64 | P | 53.9 | Low | 67.9 | Low | 114 Ų | 114 | 97.1 Ų | 97.1 | 74% | 0.74 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.9 | -21.5 | -166.9 | -21.6 | 31.8 | 0 | 0 | 0 | 116.5 | ||
| 65 | S | 60.5 | Low | 69.3 | Low | 79 Ų | 79 | 93.3 Ų | 93.3 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -76 | -39.2 | -165.6 | 74.4 | 0 | 0 | 0 | 0 | 113.7 | S63 Y67 E69 | S63-S65 VanDerWaalsContact C-N 3.35Å; S63-S65 PolarHBondContact O-N 2.79Å; S65-Y67 PolarHBondContact O-N 3.06Å; S65-E69 WeakPolarHBondContact O-CB 3.29Å; S65-E69 VanDerWaalsContact O-CG 3.29Å; S65-E69 WeakPolarHBondContact O-CG 3.42Å; S65-E69 PolarHBondContact O-N 3.12Å |
| 66 | G | 66.6 | Low | 70.5 | Confident | 40 Ų | 40 | 89.4 Ų | 89.4 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.2 | -36.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | S70 | G66-S70 PolarHBondContact O-N 2.98Å; G66-S70 VanDerWaalsContact O-N 3.13Å |
| 67 | Y | 78.5 | Confident | 72.1 | Confident | 81 Ų | 81 | 89.9 Ų | 89.9 | 32% | 0.318 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -51.3 | 177.3 | -175.1 | -110.6 | 0 | 0 | 0 | 111.4 | L57 L60 S65 E69 S70 L71 | L57-Y67 HydrophobicContact CD1-CE2 4.49Å; L57-Y67 HydrophobicContact CD2-CD2 4.36Å; L57-Y67 HydrophobicContact CD2-CE1 4.1Å; L57-Y67 HydrophobicContact CD2-CE2 3.85Å; L57-Y67 HydrophobicContact CG-CE2 4Å; L60-Y67 HydrophobicContact CD1-CD2 3.65Å; L60-Y67 HydrophobicContact CD1-CG 3.97Å; S65-Y67 PolarHBondContact O-N 3.06Å; Y67-E69 PolarHBondContact O-N 3.12Å; Y67-S70 WeakPolarHBondContact O-CB 3.37Å; Y67-S70 PolarHBondContact O-N 3.36Å; Y67-S70 PolarHBondContact O-OG 2.8Å; Y67-L71 HydrophobicContact CD1-CD1 4.45Å; Y67-L71 HydrophobicContact CE1-CD1 4.19Å; Y67-L71 HydrophobicContact CE1-CD2 3.97Å; Y67-L71 HydrophobicContact CE1-CG 4.31Å; Y67-L71 HydrophobicContact CE2-CD2 4.46Å; Y67-L71 PolarHBondContact O-N 3.45Å |
| 68 | M | 81.1 | Confident | 73.9 | Confident | 59 Ų | 59 | 94.7 Ų | 94.7 | 29% | 0.291 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -55.5 | -41.3 | 178.2 | -174 | 76.2 | -179.8 | 0 | 0 | 110.5 | S70 L71 K76 V79 | M68-S70 PolarHBondContact O-N 3.28Å; M68-L71 PolarHBondContact O-N 3.31Å; M68-L71 HydrophobicContact SD-CD1 4.3Å; M68-K76 WeakPolarHBondContact O-CE 3.49Å; M68-V79 HydrophobicContact CE-CB 3.99Å; M68-V79 HydrophobicContact CE-CG1 3.6Å; M68-V79 HydrophobicContact SD-CG1 4.09Å |
| 69 | E | 81.2 | Confident | 75.8 | Confident | 136 Ų | 136 | 90.8 Ų | 90.8 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.4 | -33.9 | 176.4 | -76.3 | 176.7 | -164.2 | 0 | 0 | 113.7 | S65 Y67 L71 K76 | S65-E69 WeakPolarHBondContact O-CB 3.29Å; S65-E69 VanDerWaalsContact O-CG 3.29Å; S65-E69 WeakPolarHBondContact O-CG 3.42Å; S65-E69 PolarHBondContact O-N 3.12Å; Y67-E69 PolarHBondContact O-N 3.12Å; E69-L71 VanDerWaalsContact C-N 3.29Å; E69-L71 PolarHBondContact O-N 3.12Å; E69-K76 WeakPolarHBondContact O-CE 3.41Å; E69-K76 PolarHBondContact O-NZ 2.94Å |
| 70 | S | 85.4 | Confident | 77.5 | Confident | 75 Ų | 75 | 91.4 Ų | 91.4 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.5 | -16.4 | 177.8 | 78 | 0 | 0 | 0 | 0 | 114.4 | G66 Y67 M68 | G66-S70 PolarHBondContact O-N 2.98Å; G66-S70 VanDerWaalsContact O-N 3.13Å; Y67-S70 WeakPolarHBondContact O-CB 3.37Å; Y67-S70 PolarHBondContact O-N 3.36Å; Y67-S70 PolarHBondContact O-OG 2.8Å; M68-S70 PolarHBondContact O-N 3.28Å |
| 71 | L | 88.8 | Confident | 79.7 | Confident | 28 Ų | 28 | 91.4 Ų | 91.4 | 15% | 0.147 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -68.9 | 143.5 | -177.1 | -67 | 175.6 | 0 | 0 | 0 | 112.9 | Y67 M68 E69 V75 K76 | Y67-L71 HydrophobicContact CD1-CD1 4.45Å; Y67-L71 HydrophobicContact CE1-CD1 4.19Å; Y67-L71 HydrophobicContact CE1-CD2 3.97Å; Y67-L71 HydrophobicContact CE1-CG 4.31Å; Y67-L71 HydrophobicContact CE2-CD2 4.46Å; Y67-L71 PolarHBondContact O-N 3.45Å; M68-L71 PolarHBondContact O-N 3.31Å; M68-L71 HydrophobicContact SD-CD1 4.3Å; E69-L71 VanDerWaalsContact C-N 3.29Å; E69-L71 PolarHBondContact O-N 3.12Å; L71-V75 HydrophobicContact CB-CB 4.37Å; L71-V75 HydrophobicContact CB-CG1 4.37Å; L71-V75 HydrophobicContact CD1-CG1 4.05Å; L71-V75 HydrophobicContact CD2-CG1 4.27Å; L71-V75 HydrophobicContact CG-CG1 4.47Å; L71-K76 HydrophobicContact CB-CG 4.08Å; L71-K76 WeakPolarHBondContact O-CE 3.48Å |
| 72 | P | 93.5 | Very high | 82.1 | Confident | 82 Ų | 82 | 89.5 Ų | 89.5 | 53% | 0.532 | 50% | 0.497 | S | S | . | . | trans | -57 | 149.2 | 173.1 | -24.9 | 33.5 | 0 | 0 | 0 | 112.7 | V74 V75 K76 | P72-V74 PolarHBondContact O-N 3.2Å; P72-V74 VanDerWaalsContact O-N 3.1Å; P72-V75 HydrophobicContact CB-CG2 4.26Å; P72-V75 HydrophobicContact CG-CG2 4.26Å; P72-V75 WeakPolarHBondContact O-CA 3.32Å; P72-V75 WeakPolarHBondContact O-CB 3.39Å; P72-V75 PolarHBondContact O-N 3.13Å; P72-K76 PolarHBondContact O-N 2.85Å | ||
| 73 | K | 91.8 | Very high | 84.1 | Confident | 178 Ų | 178 | 90.7 Ų | 90.7 | 77% | 0.774 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -52.7 | -37.1 | 179.2 | -68.5 | -176.7 | 179.9 | 179.1 | 0 | 113 | K76 R77 | K73-K76 PolarHBondContact O-N 3.27Å; K73-R77 WeakPolarHBondContact O-CG 3.47Å; K73-R77 PolarHBondContact O-N 3.35Å |
| 74 | V | 94.5 | Very high | 86.3 | Confident | 89 Ų | 89 | 91.9 Ų | 91.9 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 177.8 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | P72 R78 | P72-V74 PolarHBondContact O-N 3.2Å; P72-V74 VanDerWaalsContact O-N 3.1Å; V74-R78 WeakPolarHBondContact O-CG 3.46Å; V74-R78 PolarHBondContact O-N 3.34Å |
| 75 | V | 92.3 | Very high | 88.3 | Confident | 49 Ų | 49 | 91 Ų | 91 | 30% | 0.297 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.8 | -45.3 | 177.6 | -178 | 0 | 0 | 0 | 0 | 110.2 | L71 P72 R77 R78 V79 | L71-V75 HydrophobicContact CB-CB 4.37Å; L71-V75 HydrophobicContact CB-CG1 4.37Å; L71-V75 HydrophobicContact CD1-CG1 4.05Å; L71-V75 HydrophobicContact CD2-CG1 4.27Å; L71-V75 HydrophobicContact CG-CG1 4.47Å; P72-V75 HydrophobicContact CB-CG2 4.26Å; P72-V75 HydrophobicContact CG-CG2 4.26Å; P72-V75 WeakPolarHBondContact O-CA 3.32Å; P72-V75 WeakPolarHBondContact O-CB 3.39Å; P72-V75 PolarHBondContact O-N 3.13Å; V75-R77 VanDerWaalsContact C-N 3.27Å; V75-R77 PolarHBondContact O-N 2.62Å; V75-R78 WeakPolarHBondContact O-CA 3.36Å; V75-R78 WeakPolarHBondContact O-CB 3.49Å; V75-R78 PolarHBondContact O-N 3.48Å; V75-V79 HydrophobicContact CG1-CG2 4.48Å; V75-V79 WeakPolarHBondContact O-CG2 3.45Å; V75-V79 PolarHBondContact O-N 2.6Å |
| 76 | K | 90.3 | Very high | 89.9 | Confident | 65 Ų | 65 | 92 Ų | 92 | 28% | 0.283 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -54.9 | -41.1 | 174 | -70.3 | 176.2 | 173.1 | 170 | 0 | 112.6 | M68 E69 L71 P72 K73 R78 V79 N80 | M68-K76 WeakPolarHBondContact O-CE 3.49Å; E69-K76 WeakPolarHBondContact O-CE 3.41Å; E69-K76 PolarHBondContact O-NZ 2.94Å; L71-K76 HydrophobicContact CB-CG 4.08Å; L71-K76 WeakPolarHBondContact O-CE 3.48Å; P72-K76 PolarHBondContact O-N 2.85Å; K73-K76 PolarHBondContact O-N 3.27Å; K76-R78 VanDerWaalsContact C-N 3.35Å; K76-R78 PolarHBondContact O-N 3.06Å; K76-V79 PolarHBondContact O-N 3.1Å; K76-N80 PolarHBondContact O-N 3.18Å |
| 77 | R | 93.6 | Very high | 91.1 | Very high | 198 Ų | 198 | 91.6 Ų | 91.6 | 75% | 0.747 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | 174.3 | -76 | 179.1 | 70.3 | -175.3 | 1.9 | 112.4 | K73 V75 A81 | K73-R77 WeakPolarHBondContact O-CG 3.47Å; K73-R77 PolarHBondContact O-N 3.35Å; V75-R77 VanDerWaalsContact C-N 3.27Å; V75-R77 PolarHBondContact O-N 2.62Å; R77-A81 PolarHBondContact O-N 2.8Å |
| 78 | R | 95.6 | Very high | 91.9 | Very high | 167 Ų | 167 | 94 Ų | 94 | 63% | 0.63 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.9 | -45.5 | 175.3 | -68.2 | 171.1 | -179.8 | 170.2 | -1.8 | 111 | V74 V75 K76 N80 A81 L82 | V74-R78 WeakPolarHBondContact O-CG 3.46Å; V74-R78 PolarHBondContact O-N 3.34Å; V75-R78 WeakPolarHBondContact O-CA 3.36Å; V75-R78 WeakPolarHBondContact O-CB 3.49Å; V75-R78 PolarHBondContact O-N 3.48Å; K76-R78 VanDerWaalsContact C-N 3.35Å; K76-R78 PolarHBondContact O-N 3.06Å; R78-N80 PolarHBondContact O-N 3.49Å; R78-A81 WeakPolarHBondContact O-CB 3.45Å; R78-A81 PolarHBondContact O-N 3.15Å; R78-A81 VanDerWaalsContact O-N 3.11Å; R78-L82 WeakPolarHBondContact O-CG 3.43Å; R78-L82 PolarHBondContact O-N 2.86Å |
| 79 | V | 93.6 | Very high | 92.5 | Very high | 40 Ų | 40 | 93.8 Ų | 93.8 | 24% | 0.242 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 176.7 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | M68 V75 K76 A81 L82 K83 | M68-V79 HydrophobicContact CE-CB 3.99Å; M68-V79 HydrophobicContact CE-CG1 3.6Å; M68-V79 HydrophobicContact SD-CG1 4.09Å; V75-V79 HydrophobicContact CG1-CG2 4.48Å; V75-V79 WeakPolarHBondContact O-CG2 3.45Å; V75-V79 PolarHBondContact O-N 2.6Å; K76-V79 PolarHBondContact O-N 3.1Å; V79-A81 VanDerWaalsContact C-N 3.29Å; V79-A81 PolarHBondContact O-N 3.07Å; V79-L82 WeakPolarHBondContact O-CB 3.4Å; V79-L82 PolarHBondContact O-N 2.74Å; V79-L82 VanDerWaalsContact O-N 3.1Å; V79-K83 PolarHBondContact O-N 2.96Å |
| 80 | N | 92.1 | Very high | 93 | Very high | 82 Ų | 82 | 87.5 Ų | 87.5 | 44% | 0.439 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.6 | -35.4 | 175 | -71.5 | -9.1 | 0 | 0 | 0 | 112.3 | K76 R78 L82 K83 N84 | K76-N80 PolarHBondContact O-N 3.18Å; R78-N80 PolarHBondContact O-N 3.49Å; N80-L82 VanDerWaalsContact C-N 3.34Å; N80-K83 PolarHBondContact O-N 3.05Å; N80-N84 PolarHBondContact O-N 3.39Å |
| 81 | A | 95.4 | Very high | 93.3 | Very high | 51 Ų | 51 | 88.8 Ų | 88.8 | 42% | 0.421 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65 | -38.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R77 R78 V79 N84 L85 | R77-A81 PolarHBondContact O-N 2.8Å; R78-A81 WeakPolarHBondContact O-CB 3.45Å; R78-A81 PolarHBondContact O-N 3.15Å; R78-A81 VanDerWaalsContact O-N 3.11Å; V79-A81 VanDerWaalsContact C-N 3.29Å; V79-A81 PolarHBondContact O-N 3.07Å; A81-N84 PolarHBondContact O-N 3.02Å; A81-L85 PolarHBondContact O-N 3.26Å; A81-L85 VanDerWaalsContact O-N 3.16Å |
| 82 | L | 96.1 | Very high | 93.6 | Very high | 112 Ų | 112 | 93 Ų | 93 | 59% | 0.586 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 172.9 | -64.6 | 175.8 | 0 | 0 | 0 | 111.7 | R78 V79 N80 N84 L85 Q86 | R78-L82 WeakPolarHBondContact O-CG 3.43Å; R78-L82 PolarHBondContact O-N 2.86Å; V79-L82 WeakPolarHBondContact O-CB 3.4Å; V79-L82 PolarHBondContact O-N 2.74Å; V79-L82 VanDerWaalsContact O-N 3.1Å; N80-L82 VanDerWaalsContact C-N 3.34Å; L82-N84 VanDerWaalsContact C-N 3.29Å; L82-N84 PolarHBondContact O-N 3.14Å; L82-L85 HydrophobicContact CD2-CD1 4.31Å; L82-L85 WeakPolarHBondContact O-CA 2.82Å; L82-L85 WeakPolarHBondContact O-CB 3.4Å; L82-L85 PolarHBondContact O-N 3.45Å; L82-Q86 PolarHBondContact O-N 3.44Å |
| 83 | K | 93.7 | Very high | 93.6 | Very high | 98 Ų | 98 | 93.1 Ų | 93.1 | 43% | 0.426 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.4 | -41.8 | 173.4 | -74.2 | -170 | 174.7 | -161.5 | 0 | 112.1 | V79 N80 L85 Q86 V87 F250 | V79-K83 PolarHBondContact O-N 2.96Å; N80-K83 PolarHBondContact O-N 3.05Å; K83-L85 VanDerWaalsContact C-N 3.28Å; K83-L85 PolarHBondContact O-N 3.24Å; K83-Q86 WeakPolarHBondContact O-CB 3.16Å; K83-Q86 PolarHBondContact O-N 3.45Å; K83-Q86 VanDerWaalsContact O-N 3.16Å; K83-V87 WeakPolarHBondContact O-CG2 3.41Å; K83-V87 PolarHBondContact O-N 2.74Å; K83-F250 HydrophobicContact CB-CE1 4.25Å; K83-F250 HydrophobicContact CB-CZ 3.86Å; K83-F250 HydrophobicContact CD-CZ 4.32Å; K83-F250 HydrophobicContact CG-CZ 4.24Å |
| 84 | N | 93.5 | Very high | 93.6 | Very high | 107 Ų | 107 | 84.8 Ų | 84.8 | 57% | 0.572 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.6 | -31.6 | 174.7 | -68.7 | -17.9 | 0 | 0 | 0 | 113 | N80 A81 L82 K88 | N80-N84 PolarHBondContact O-N 3.39Å; A81-N84 PolarHBondContact O-N 3.02Å; L82-N84 VanDerWaalsContact C-N 3.29Å; L82-N84 PolarHBondContact O-N 3.14Å; N84-K88 WeakPolarHBondContact O-CG 3.21Å; N84-K88 PolarHBondContact O-N 3.18Å |
| 85 | L | 95.9 | Very high | 93.4 | Very high | 94 Ų | 94 | 86.7 Ų | 86.7 | 49% | 0.492 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 171.9 | -67.6 | 174.1 | 0 | 0 | 0 | 110.8 | A81 L82 K83 V87 K88 C89 | A81-L85 PolarHBondContact O-N 3.26Å; A81-L85 VanDerWaalsContact O-N 3.16Å; L82-L85 HydrophobicContact CD2-CD1 4.31Å; L82-L85 WeakPolarHBondContact O-CA 2.82Å; L82-L85 WeakPolarHBondContact O-CB 3.4Å; L82-L85 PolarHBondContact O-N 3.45Å; K83-L85 VanDerWaalsContact C-N 3.28Å; K83-L85 PolarHBondContact O-N 3.24Å; L85-V87 VanDerWaalsContact C-N 3.33Å; L85-V87 PolarHBondContact O-N 2.94Å; L85-K88 HydrophobicContact CD2-CD 4.49Å; L85-K88 WeakPolarHBondContact O-CA 3.38Å; L85-K88 WeakPolarHBondContact O-CB 3.37Å; L85-K88 PolarHBondContact O-N 2.99Å; L85-C89 PolarHBondContact O-N 2.88Å; L85-C89 PolarHBondContact O-SG 3.45Å; L85-C89 VanDerWaalsContact O-SG 3.41Å |
| 86 | Q | 93.8 | Very high | 93.6 | Very high | 102 Ų | 102 | 90 Ų | 90 | 48% | 0.477 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 176.9 | -172.7 | 65.1 | 35.9 | 0 | 0 | 112.1 | L82 K83 K88 C89 A90 F250 | L82-Q86 PolarHBondContact O-N 3.44Å; K83-Q86 WeakPolarHBondContact O-CB 3.16Å; K83-Q86 PolarHBondContact O-N 3.45Å; K83-Q86 VanDerWaalsContact O-N 3.16Å; Q86-K88 VanDerWaalsContact C-N 3.27Å; Q86-K88 PolarHBondContact O-N 3.39Å; Q86-C89 WeakPolarHBondContact O-CA 3.44Å; Q86-C89 VanDerWaalsContact O-CB 3.32Å; Q86-C89 WeakPolarHBondContact O-CB 3.3Å; Q86-C89 PolarHBondContact O-N 3.02Å; Q86-A90 PolarHBondContact O-N 3.44Å; Q86-F250 HydrophobicContact CB-CD1 4.49Å; Q86-F250 HydrophobicContact CB-CE1 4.03Å; Q86-F250 HydrophobicContact CG-CD1 4.02Å; Q86-F250 HydrophobicContact CG-CE1 4.08Å |
| 87 | V | 93.1 | Very high | 93.7 | Very high | 31 Ų | 31 | 90.4 Ų | 90.4 | 19% | 0.188 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 173.7 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | K83 L85 C89 A90 H91 P249 F250 | K83-V87 WeakPolarHBondContact O-CG2 3.41Å; K83-V87 PolarHBondContact O-N 2.74Å; L85-V87 VanDerWaalsContact C-N 3.33Å; L85-V87 PolarHBondContact O-N 2.94Å; V87-C89 VanDerWaalsContact C-N 3.33Å; V87-A90 PolarHBondContact O-N 3.24Å; V87-H91 PolarHBondContact O-N 3.19Å; V87-H91 VanDerWaalsContact O-N 3.13Å; V87-H91 PolarHBondContact O-ND1 3.16Å; V87-P249 HydrophobicContact CG1-CB 4.2Å; V87-P249 HydrophobicContact CG2-CB 4.03Å; V87-P249 HydrophobicContact CG2-CG 3.79Å; V87-F250 HydrophobicContact CG2-CE1 3.71Å; V87-F250 HydrophobicContact CG2-CE2 4.46Å; V87-F250 HydrophobicContact CG2-CZ 3.64Å |
| 88 | K | 94.1 | Very high | 93.5 | Very high | 132 Ų | 132 | 84.8 Ų | 84.8 | 57% | 0.574 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.5 | -35.5 | 175.1 | -67 | 174.9 | -177.4 | -177.9 | 0 | 112.2 | N84 L85 Q86 H91 I92 | N84-K88 WeakPolarHBondContact O-CG 3.21Å; N84-K88 PolarHBondContact O-N 3.18Å; L85-K88 HydrophobicContact CD2-CD 4.49Å; L85-K88 WeakPolarHBondContact O-CA 3.38Å; L85-K88 WeakPolarHBondContact O-CB 3.37Å; L85-K88 PolarHBondContact O-N 2.99Å; Q86-K88 VanDerWaalsContact C-N 3.27Å; Q86-K88 PolarHBondContact O-N 3.39Å; K88-H91 PolarHBondContact O-N 3.11Å; K88-I92 WeakPolarHBondContact O-CG1 2.98Å; K88-I92 PolarHBondContact O-N 3.28Å |
| 89 | C | 93.8 | Very high | 93.4 | Very high | 53 Ų | 53 | 83.3 Ų | 83.3 | 36% | 0.358 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 172.6 | -61.8 | 0 | 0 | 0 | 0 | 110.5 | L85 Q86 V87 H91 I92 E93 | L85-C89 PolarHBondContact O-N 2.88Å; L85-C89 PolarHBondContact O-SG 3.45Å; L85-C89 VanDerWaalsContact O-SG 3.41Å; Q86-C89 WeakPolarHBondContact O-CA 3.44Å; Q86-C89 VanDerWaalsContact O-CB 3.32Å; Q86-C89 WeakPolarHBondContact O-CB 3.3Å; Q86-C89 PolarHBondContact O-N 3.02Å; V87-C89 VanDerWaalsContact C-N 3.33Å; C89-H91 VanDerWaalsContact C-N 3.27Å; C89-H91 PolarHBondContact O-N 3.31Å; C89-I92 WeakPolarHBondContact O-CA 3.3Å; C89-I92 WeakPolarHBondContact O-CB 3.38Å; C89-I92 PolarHBondContact O-N 3.08Å; C89-E93 PolarHBondContact O-N 2.85Å |
| 90 | A | 92.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 83.6 Ų | 83.6 | 4% | 0.041 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56.9 | -38.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q86 V87 I92 E93 A94 P244 F252 | Q86-A90 PolarHBondContact O-N 3.44Å; V87-A90 PolarHBondContact O-N 3.24Å; A90-I92 VanDerWaalsContact C-N 3.31Å; A90-I92 PolarHBondContact O-N 2.92Å; A90-E93 PolarHBondContact O-N 2.83Å; A90-A94 WeakPolarHBondContact O-CB 3.38Å; A90-A94 PolarHBondContact O-N 3.02Å; A90-P244 HydrophobicContact CB-CB 4.33Å; A90-P244 HydrophobicContact CB-CG 3.78Å; A90-F252 HydrophobicContact CB-CD1 4.07Å |
| 91 | H | 92.4 | Very high | 93.3 | Very high | 101 Ų | 101 | 80 Ų | 80 | 47% | 0.468 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.1 | -26 | 174.8 | -73.7 | 77 | 0 | 0 | 0 | 113.9 | V87 K88 C89 | V87-H91 PolarHBondContact O-N 3.19Å; V87-H91 VanDerWaalsContact O-N 3.13Å; V87-H91 PolarHBondContact O-ND1 3.16Å; K88-H91 PolarHBondContact O-N 3.11Å; C89-H91 VanDerWaalsContact C-N 3.27Å; C89-H91 PolarHBondContact O-N 3.31Å |
| 92 | I | 93.9 | Very high | 93.1 | Very high | 117 Ų | 117 | 82.8 Ų | 82.8 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -77.7 | -42.7 | 173.8 | -67.2 | 166.6 | 0 | 0 | 0 | 109.3 | K88 C89 A90 A94 K95 F96 | K88-I92 WeakPolarHBondContact O-CG1 2.98Å; K88-I92 PolarHBondContact O-N 3.28Å; C89-I92 WeakPolarHBondContact O-CA 3.3Å; C89-I92 WeakPolarHBondContact O-CB 3.38Å; C89-I92 PolarHBondContact O-N 3.08Å; A90-I92 VanDerWaalsContact C-N 3.31Å; A90-I92 PolarHBondContact O-N 2.92Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 2.73Å; I92-K95 WeakPolarHBondContact O-CB 3.42Å; I92-K95 PolarHBondContact O-N 3.44Å; I92-F96 PolarHBondContact O-N 3.45Å |
| 93 | E | 92.9 | Very high | 93 | Very high | 84 Ų | 84 | 81.8 Ų | 81.8 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 174.7 | -71.7 | 164.8 | -173.2 | 0 | 0 | 111.5 | C89 A90 K95 F96 Y97 F252 | C89-E93 PolarHBondContact O-N 2.85Å; A90-E93 PolarHBondContact O-N 2.83Å; E93-K95 VanDerWaalsContact C-N 3.29Å; E93-K95 PolarHBondContact O-N 3.01Å; E93-F96 WeakPolarHBondContact O-CA 3.38Å; E93-F96 VanDerWaalsContact O-CB 3.31Å; E93-F96 WeakPolarHBondContact O-CB 3.04Å; E93-F96 PolarHBondContact O-N 3.34Å; E93-Y97 WeakPolarHBondContact O-CD2 3.1Å; E93-Y97 PolarHBondContact O-N 2.86Å; E93-F252 HydrophobicContact CB-CE1 3.88Å |
| 94 | A | 91.9 | Very high | 93 | Very high | 4 Ų | 4 | 79.8 Ų | 79.8 | 3% | 0.033 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -51.4 | -46.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | A90 I92 Y97 E98 S242 P244 F252 | A90-A94 WeakPolarHBondContact O-CB 3.38Å; A90-A94 PolarHBondContact O-N 3.02Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 2.73Å; A94-Y97 PolarHBondContact O-N 3.05Å; A94-E98 WeakPolarHBondContact O-CG 3.31Å; A94-E98 PolarHBondContact O-N 3.46Å; A94-S242 WeakPolarHBondContact CA-O 3.38Å; A94-S242 WeakPolarHBondContact CB-O 3.23Å; A94-P244 HydrophobicContact CB-CG 4.49Å; A94-F252 HydrophobicContact CB-CZ 4.19Å |
| 95 | K | 92.3 | Very high | 92.9 | Very high | 129 Ų | 129 | 76.7 Ų | 76.7 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.5 | -38.4 | 176.9 | -67.3 | 177.4 | -178.4 | -177.9 | 0 | 112.5 | I92 E93 Y97 E98 E99 | I92-K95 WeakPolarHBondContact O-CB 3.42Å; I92-K95 PolarHBondContact O-N 3.44Å; E93-K95 VanDerWaalsContact C-N 3.29Å; E93-K95 PolarHBondContact O-N 3.01Å; K95-Y97 VanDerWaalsContact C-N 3.28Å; K95-Y97 PolarHBondContact O-N 2.87Å; K95-E98 WeakPolarHBondContact O-CB 3.21Å; K95-E98 PolarHBondContact O-N 3.48Å; K95-E99 PolarHBondContact O-N 3.03Å |
| 96 | F | 94.5 | Very high | 92.9 | Very high | 119 Ų | 119 | 78.6 Ų | 78.6 | 52% | 0.522 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.4 | -45.9 | 173.5 | 164.7 | -98.6 | 0 | 0 | 0 | 110.5 | I92 E93 E98 E99 V100 | I92-F96 PolarHBondContact O-N 3.45Å; E93-F96 WeakPolarHBondContact O-CA 3.38Å; E93-F96 VanDerWaalsContact O-CB 3.31Å; E93-F96 WeakPolarHBondContact O-CB 3.04Å; E93-F96 PolarHBondContact O-N 3.34Å; F96-E98 PolarHBondContact O-N 3.48Å; F96-E99 PolarHBondContact O-N 2.83Å; F96-V100 HydrophobicContact CD1-CG2 4.27Å; F96-V100 HydrophobicContact CD2-CG2 4.37Å; F96-V100 HydrophobicContact CE1-CG2 3.8Å; F96-V100 HydrophobicContact CE2-CG2 3.92Å; F96-V100 HydrophobicContact CZ-CG2 3.61Å; F96-V100 WeakPolarHBondContact O-CG2 3.45Å; F96-V100 PolarHBondContact O-N 2.74Å |
| 97 | Y | 92.6 | Very high | 93 | Very high | 73 Ų | 73 | 78.8 Ų | 78.8 | 29% | 0.286 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70 | -31.1 | 178.4 | -74.5 | -67.4 | 0 | 0 | 0 | 114.2 | E93 A94 K95 V100 H101 F252 G254 P255 | E93-Y97 WeakPolarHBondContact O-CD2 3.1Å; E93-Y97 PolarHBondContact O-N 2.86Å; A94-Y97 PolarHBondContact O-N 3.05Å; K95-Y97 VanDerWaalsContact C-N 3.28Å; K95-Y97 PolarHBondContact O-N 2.87Å; Y97-V100 PolarHBondContact O-N 2.84Å; Y97-H101 WeakPolarHBondContact O-CB 3.25Å; Y97-H101 PolarHBondContact O-N 2.97Å; Y97-F252 HydrophobicContact CD2-CE1 4.39Å; Y97-F252 HydrophobicContact CD2-CZ 4.05Å; Y97-F252 HydrophobicContact CE2-CE1 4.47Å; Y97-F252 HydrophobicContact CE2-CZ 4.44Å; Y97-G254 VanDerWaalsContact CE2-CA 3.5Å; Y97-P255 HydrophobicContact CD1-CG 3.55Å; Y97-P255 HydrophobicContact CD2-CG 4.36Å; Y97-P255 HydrophobicContact CE1-CG 4.3Å; Y97-P255 VanDerWaalsContact CG-CD 3.43Å; Y97-P255 HydrophobicContact CG-CG 3.58Å |
| 98 | E | 90.3 | Very high | 93 | Very high | 80 Ų | 80 | 78.4 Ų | 78.4 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59 | -47.9 | 168.7 | -74 | 173.8 | -174.6 | 0 | 0 | 111.1 | A94 K95 F96 H101 E102 S242 | A94-E98 WeakPolarHBondContact O-CG 3.31Å; A94-E98 PolarHBondContact O-N 3.46Å; K95-E98 WeakPolarHBondContact O-CB 3.21Å; K95-E98 PolarHBondContact O-N 3.48Å; F96-E98 PolarHBondContact O-N 3.48Å; E98-H101 WeakPolarHBondContact O-CB 3.44Å; E98-H101 PolarHBondContact O-N 2.85Å; E98-E102 WeakPolarHBondContact O-CG 3.48Å; E98-E102 PolarHBondContact O-N 2.68Å; E98-S242 WeakPolarHBondContact CG-OG 3.33Å |
| 99 | E | 92.9 | Very high | 93 | Very high | 136 Ų | 136 | 75.4 Ų | 75.4 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.5 | -40.3 | 176.9 | -70.7 | -177.3 | -157.5 | 0 | 0 | 112.3 | K95 F96 H101 E102 L103 | K95-E99 PolarHBondContact O-N 3.03Å; F96-E99 PolarHBondContact O-N 2.83Å; E99-H101 VanDerWaalsContact C-N 3.32Å; E99-H101 PolarHBondContact O-N 2.8Å; E99-E102 PolarHBondContact O-N 2.71Å; E99-L103 PolarHBondContact O-N 2.86Å |
| 100 | V | 92.8 | Very high | 93.1 | Very high | 45 Ų | 45 | 78 Ų | 78 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 172.9 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | F96 Y97 E102 L103 E104 | F96-V100 HydrophobicContact CD1-CG2 4.27Å; F96-V100 HydrophobicContact CD2-CG2 4.37Å; F96-V100 HydrophobicContact CE1-CG2 3.8Å; F96-V100 HydrophobicContact CE2-CG2 3.92Å; F96-V100 HydrophobicContact CZ-CG2 3.61Å; F96-V100 WeakPolarHBondContact O-CG2 3.45Å; F96-V100 PolarHBondContact O-N 2.74Å; Y97-V100 PolarHBondContact O-N 2.84Å; V100-E102 VanDerWaalsContact C-N 3.3Å; V100-E102 PolarHBondContact O-N 2.61Å; V100-L103 CarbonylContact O-C 3.49Å; V100-L103 WeakPolarHBondContact O-CA 3.37Å; V100-L103 VanDerWaalsContact O-CB 3.25Å; V100-L103 WeakPolarHBondContact O-CB 3.19Å; V100-L103 PolarHBondContact O-N 2.87Å; V100-E104 HydrophobicContact CG1-CG 4.38Å; V100-E104 WeakPolarHBondContact O-CG 3.3Å; V100-E104 PolarHBondContact O-N 3.13Å |
| 101 | H | 90.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 83.6 Ų | 83.6 | 3% | 0.028 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.8 | -35.6 | 178.2 | 178.9 | 56.9 | 0 | 0 | 0 | 112.3 | Y97 E98 E99 L103 E104 R105 F208 M215 | Y97-H101 WeakPolarHBondContact O-CB 3.25Å; Y97-H101 PolarHBondContact O-N 2.97Å; E98-H101 WeakPolarHBondContact O-CB 3.44Å; E98-H101 PolarHBondContact O-N 2.85Å; E99-H101 VanDerWaalsContact C-N 3.32Å; E99-H101 PolarHBondContact O-N 2.8Å; H101-L103 VanDerWaalsContact C-N 3.3Å; H101-L103 PolarHBondContact O-N 3.16Å; H101-E104 IonicContact ND1-OE2 3.33Å; H101-E104 PolarHBondContact ND1-OE2 3.25Å; H101-E104 PolarHBondContact O-N 3.04Å; H101-R105 PolarHBondContact CD2-NH1 3.28Å; H101-R105 PolarHBondContact NE2-NH1 2.85Å; H101-R105 VanDerWaalsContact NE2-NH1 3.13Å; H101-R105 WeakPolarHBondContact O-CG 3.37Å; H101-R105 PolarHBondContact O-N 3.13Å; H101-F208 AromaticContact CE1-CD1 3.72Å; H101-M215 HydrophobicContact CB-CE 3.51Å; H101-M215 HydrophobicContact CB-SD 4.21Å |
| 102 | E | 91.8 | Very high | 93.4 | Very high | 111 Ų | 111 | 81.4 Ų | 81.4 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 172.1 | -46.3 | -146.2 | 119.5 | 0 | 0 | 112.4 | E98 E99 V100 R105 K106 | E98-E102 WeakPolarHBondContact O-CG 3.48Å; E98-E102 PolarHBondContact O-N 2.68Å; E99-E102 PolarHBondContact O-N 2.71Å; V100-E102 VanDerWaalsContact C-N 3.3Å; V100-E102 PolarHBondContact O-N 2.61Å; E102-R105 VanDerWaalsContact CG-NH2 3.27Å; E102-R105 PolarHBondContact O-N 3.34Å; E102-R105 IonicContact OE1-NH2 2.73Å; E102-R105 PolarHBondContact OE1-NH2 3.06Å; E102-K106 PolarHBondContact O-N 2.85Å; E102-K106 VanDerWaalsContact O-N 3.11Å |
| 103 | L | 94.5 | Very high | 93.6 | Very high | 91 Ų | 91 | 79.7 Ų | 79.7 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 175.2 | -167.1 | 65.7 | 0 | 0 | 0 | 111 | E99 V100 H101 R105 K106 Y107 | E99-L103 PolarHBondContact O-N 2.86Å; V100-L103 CarbonylContact O-C 3.49Å; V100-L103 WeakPolarHBondContact O-CA 3.37Å; V100-L103 VanDerWaalsContact O-CB 3.25Å; V100-L103 WeakPolarHBondContact O-CB 3.19Å; V100-L103 PolarHBondContact O-N 2.87Å; H101-L103 VanDerWaalsContact C-N 3.3Å; H101-L103 PolarHBondContact O-N 3.16Å; L103-R105 VanDerWaalsContact C-N 3.32Å; L103-R105 PolarHBondContact O-N 3.04Å; L103-K106 WeakPolarHBondContact O-CB 3.03Å; L103-K106 PolarHBondContact O-N 2.99Å; L103-K106 VanDerWaalsContact O-N 3.09Å; L103-Y107 HydrophobicContact CD1-CD2 3.93Å; L103-Y107 HydrophobicContact CD1-CE2 3.58Å; L103-Y107 HydrophobicContact CG-CD2 4Å; L103-Y107 HydrophobicContact CG-CE2 4.01Å; L103-Y107 WeakPolarHBondContact O-CD2 3.05Å; L103-Y107 PolarHBondContact O-N 3.43Å |
| 104 | E | 92.8 | Very high | 93.7 | Very high | 56 Ų | 56 | 81 Ų | 81 | 26% | 0.262 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -54.1 | -48.4 | 174.2 | -70.9 | 175.7 | 158.8 | 0 | 0 | 110.9 | V100 H101 K106 Y107 A108 F208 R338 | V100-E104 HydrophobicContact CG1-CG 4.38Å; V100-E104 WeakPolarHBondContact O-CG 3.3Å; V100-E104 PolarHBondContact O-N 3.13Å; H101-E104 IonicContact ND1-OE2 3.33Å; H101-E104 PolarHBondContact ND1-OE2 3.25Å; H101-E104 PolarHBondContact O-N 3.04Å; E104-K106 VanDerWaalsContact C-N 3.3Å; E104-K106 PolarHBondContact O-N 2.71Å; E104-Y107 PolarHBondContact O-N 3.12Å; E104-A108 VanDerWaalsContact O-CB 3.28Å; E104-A108 WeakPolarHBondContact O-CB 3.33Å; E104-A108 PolarHBondContact O-N 3.43Å; E104-F208 HydrophobicContact CB-CZ 4.46Å; E104-R338 IonicContact OE1-NH2 2.99Å; E104-R338 PolarHBondContact OE1-NH2 2.83Å; E104-R338 IonicContact OE2-CZ 3.86Å; E104-R338 IonicContact OE2-NH2 2.79Å; E104-R338 PolarHBondContact OE2-NH2 3.14Å |
| 105 | R | 92.6 | Very high | 94 | Very high | 42 Ų | 42 | 82.8 Ų | 82.8 | 16% | 0.158 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -57.6 | -43.1 | 176.7 | -69.6 | -168.2 | -53 | -101.8 | 3.4 | 112.2 | H101 E102 L103 A109 F208 S209 | H101-R105 PolarHBondContact CD2-NH1 3.28Å; H101-R105 PolarHBondContact NE2-NH1 2.85Å; H101-R105 VanDerWaalsContact NE2-NH1 3.13Å; H101-R105 WeakPolarHBondContact O-CG 3.37Å; H101-R105 PolarHBondContact O-N 3.13Å; E102-R105 VanDerWaalsContact CG-NH2 3.27Å; E102-R105 PolarHBondContact O-N 3.34Å; E102-R105 IonicContact OE1-NH2 2.73Å; E102-R105 PolarHBondContact OE1-NH2 3.06Å; L103-R105 VanDerWaalsContact C-N 3.32Å; L103-R105 PolarHBondContact O-N 3.04Å; R105-A109 PolarHBondContact O-N 2.61Å; R105-F208 HydrophobicContact CG-CB 3.75Å; R105-F208 HydrophobicContact CG-CG 4.18Å; R105-S209 WeakPolarHBondContact CD-O 3.18Å |
| 106 | K | 94.4 | Very high | 94.2 | Very high | 133 Ų | 133 | 79.1 Ų | 79.1 | 58% | 0.578 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 179.2 | 179.7 | -173.1 | 174.6 | -171.6 | 0 | 111.5 | E102 L103 E104 | E102-K106 PolarHBondContact O-N 2.85Å; E102-K106 VanDerWaalsContact O-N 3.11Å; L103-K106 WeakPolarHBondContact O-CB 3.03Å; L103-K106 PolarHBondContact O-N 2.99Å; L103-K106 VanDerWaalsContact O-N 3.09Å; E104-K106 VanDerWaalsContact C-N 3.3Å; E104-K106 PolarHBondContact O-N 2.71Å |
| 107 | Y | 95.6 | Very high | 94.3 | Very high | 106 Ų | 106 | 77.2 Ų | 77.2 | 42% | 0.416 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -77.2 | -30.3 | -179 | -82.1 | -94.5 | 0 | 0 | 0 | 112.7 | L103 E104 A109 L110 Y111 | L103-Y107 HydrophobicContact CD1-CD2 3.93Å; L103-Y107 HydrophobicContact CD1-CE2 3.58Å; L103-Y107 HydrophobicContact CG-CD2 4Å; L103-Y107 HydrophobicContact CG-CE2 4.01Å; L103-Y107 WeakPolarHBondContact O-CD2 3.05Å; L103-Y107 PolarHBondContact O-N 3.43Å; E104-Y107 PolarHBondContact O-N 3.12Å; Y107-A109 PolarHBondContact O-N 3.03Å; Y107-L110 HydrophobicContact CD1-CD1 3.97Å; Y107-L110 HydrophobicContact CE1-CD1 4.2Å; Y107-L110 HydrophobicContact CG-CD1 4.48Å; Y107-L110 WeakPolarHBondContact O-CA 3.27Å; Y107-L110 WeakPolarHBondContact O-CB 3.3Å; Y107-L110 PolarHBondContact O-N 3.22Å; Y107-Y111 WeakPolarHBondContact O-CD2 2.74Å; Y107-Y111 PolarHBondContact O-N 3.38Å |
| 108 | A | 93.9 | Very high | 94.6 | Very high | 24 Ų | 24 | 75.5 Ų | 75.5 | 20% | 0.198 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.2 | -40.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E104 L110 Y111 Q112 F208 | E104-A108 VanDerWaalsContact O-CB 3.28Å; E104-A108 WeakPolarHBondContact O-CB 3.33Å; E104-A108 PolarHBondContact O-N 3.43Å; A108-L110 VanDerWaalsContact C-N 3.25Å; A108-L110 PolarHBondContact O-N 2.61Å; A108-Y111 PolarHBondContact O-N 3.28Å; A108-Q112 WeakPolarHBondContact O-CB 3.38Å; A108-Q112 PolarHBondContact O-N 2.9Å; A108-F208 HydrophobicContact CB-CD2 3.69Å; A108-F208 HydrophobicContact CB-CE2 3.53Å |
| 109 | A | 94.2 | Very high | 94.9 | Very high | 69 Ų | 69 | 72.6 Ų | 72.6 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.6 | -27.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R105 Y107 P113 | R105-A109 PolarHBondContact O-N 2.61Å; Y107-A109 PolarHBondContact O-N 3.03Å; A109-P113 WeakPolarHBondContact O-CD 3.25Å |
| 110 | L | 96.2 | Very high | 95 | Very high | 108 Ų | 108 | 70.6 Ų | 70.6 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -79.7 | -33.2 | 175.3 | -60 | 177.5 | 0 | 0 | 0 | 112.1 | Y107 A108 P113 | Y107-L110 HydrophobicContact CD1-CD1 3.97Å; Y107-L110 HydrophobicContact CE1-CD1 4.2Å; Y107-L110 HydrophobicContact CG-CD1 4.48Å; Y107-L110 WeakPolarHBondContact O-CA 3.27Å; Y107-L110 WeakPolarHBondContact O-CB 3.3Å; Y107-L110 PolarHBondContact O-N 3.22Å; A108-L110 VanDerWaalsContact C-N 3.25Å; A108-L110 PolarHBondContact O-N 2.61Å; L110-P113 WeakPolarHBondContact O-CD 3.24Å |
| 111 | Y | 95.3 | Very high | 95.2 | Very high | 121 Ų | 121 | 70.9 Ų | 70.9 | 48% | 0.475 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -76.7 | -28.3 | 175.1 | -65.6 | -54.5 | 0 | 0 | 0 | 113 | Y107 A108 L114 F115 | Y107-Y111 WeakPolarHBondContact O-CD2 2.74Å; Y107-Y111 PolarHBondContact O-N 3.38Å; A108-Y111 PolarHBondContact O-N 3.28Å; Y111-L114 HydrophobicContact CD1-CD1 4.36Å; Y111-L114 WeakPolarHBondContact O-CA 3.43Å; Y111-L114 WeakPolarHBondContact O-CB 3.33Å; Y111-L114 PolarHBondContact O-N 2.84Å; Y111-F115 HydrophobicContact CG-CZ 4.36Å; Y111-F115 PolarHBondContact O-N 2.9Å |
| 112 | Q | 95.3 | Very high | 95.4 | Very high | 55 Ų | 55 | 71.1 Ų | 71.1 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -52 | -46.6 | -174.6 | -169.9 | 63.5 | 53.6 | 0 | 0 | 113.8 | A108 L114 F115 D116 | A108-Q112 WeakPolarHBondContact O-CB 3.38Å; A108-Q112 PolarHBondContact O-N 2.9Å; Q112-L114 VanDerWaalsContact C-N 3.27Å; Q112-L114 PolarHBondContact O-N 3.24Å; Q112-F115 PolarHBondContact O-N 3.33Å; Q112-D116 PolarHBondContact NE2-OD1 2.92Å; Q112-D116 WeakPolarHBondContact O-CB 3.41Å; Q112-D116 VanDerWaalsContact O-CG 3.23Å; Q112-D116 PolarHBondContact O-N 3.31Å |
| 113 | P | 97.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 68.1 Ų | 68.1 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.4 | -30.7 | 177 | -21.7 | 34.5 | 0 | 0 | 0 | 113.7 | A109 L110 K117 | A109-P113 WeakPolarHBondContact O-CD 3.25Å; L110-P113 WeakPolarHBondContact O-CD 3.24Å; P113-K117 WeakPolarHBondContact O-CB 3.25Å; P113-K117 PolarHBondContact O-N 3.02Å |
| 114 | L | 96.8 | Very high | 95.5 | Very high | 113 Ų | 113 | 65.7 Ų | 65.7 | 59% | 0.592 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -71.3 | -42.2 | 176.6 | -57.5 | 176.9 | 0 | 0 | 0 | 110.7 | Y111 Q112 K117 R118 | Y111-L114 HydrophobicContact CD1-CD1 4.36Å; Y111-L114 WeakPolarHBondContact O-CA 3.43Å; Y111-L114 WeakPolarHBondContact O-CB 3.33Å; Y111-L114 PolarHBondContact O-N 2.84Å; Q112-L114 VanDerWaalsContact C-N 3.27Å; Q112-L114 PolarHBondContact O-N 3.24Å; L114-K117 PolarHBondContact O-N 3.41Å; L114-R118 PolarHBondContact O-N 2.9Å |
| 115 | F | 97.4 | Very high | 95.5 | Very high | 41 Ų | 41 | 66.7 Ų | 66.7 | 18% | 0.18 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70 | -36.9 | 176.5 | -61.8 | -22.1 | 0 | 0 | 0 | 112.5 | Y111 Q112 R118 S119 V342 P343 | Y111-F115 HydrophobicContact CG-CZ 4.36Å; Y111-F115 PolarHBondContact O-N 2.9Å; Q112-F115 PolarHBondContact O-N 3.33Å; F115-R118 WeakPolarHBondContact O-CB 3.4Å; F115-R118 PolarHBondContact O-N 2.94Å; F115-S119 PolarHBondContact O-N 3.33Å; F115-V342 HydrophobicContact CD2-CG1 4.4Å; F115-V342 HydrophobicContact CE2-CG1 4.19Å; F115-P343 HydrophobicContact CZ-CB 4.45Å |
| 116 | D | 97.1 | Very high | 95.5 | Very high | 52 Ų | 52 | 68 Ų | 68 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 172.6 | -69.3 | -25.8 | 0 | 0 | 0 | 110.3 | Q112 R118 S119 E120 K205 | Q112-D116 PolarHBondContact NE2-OD1 2.92Å; Q112-D116 WeakPolarHBondContact O-CB 3.41Å; Q112-D116 VanDerWaalsContact O-CG 3.23Å; Q112-D116 PolarHBondContact O-N 3.31Å; D116-R118 PolarHBondContact O-N 3.02Å; D116-S119 WeakPolarHBondContact O-CB 3.42Å; D116-S119 PolarHBondContact O-N 2.9Å; D116-S119 VanDerWaalsContact O-N 3.14Å; D116-E120 WeakPolarHBondContact O-CG 3.49Å; D116-E120 PolarHBondContact O-N 2.94Å; D116-K205 IonicContact OD1-NZ 2.67Å; D116-K205 PolarHBondContact OD1-NZ 3.5Å |
| 117 | K | 96.6 | Very high | 95.4 | Very high | 79 Ų | 79 | 68.8 Ų | 68.8 | 34% | 0.343 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 174.8 | -170 | 173 | -176 | 179.9 | 0 | 112.7 | P113 L114 S119 E120 I121 E132 | P113-K117 WeakPolarHBondContact O-CB 3.25Å; P113-K117 PolarHBondContact O-N 3.02Å; L114-K117 PolarHBondContact O-N 3.41Å; K117-S119 VanDerWaalsContact C-N 3.32Å; K117-S119 PolarHBondContact O-N 2.73Å; K117-E120 PolarHBondContact O-N 2.82Å; K117-I121 HydrophobicContact CG-CD1 4.32Å; K117-I121 WeakPolarHBondContact O-CG1 3.45Å; K117-I121 PolarHBondContact O-N 3.06Å; K117-E132 IonicContact NZ-OE1 3.19Å; K117-E132 PolarHBondContact NZ-OE1 3.39Å |
| 118 | R | 97.3 | Very high | 95.2 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.5 | -47.3 | 171.9 | 177.2 | -165 | 68 | -163.6 | 1.2 | 110.7 | L114 F115 D116 E120 I121 V122 D203 V342 | L114-R118 PolarHBondContact O-N 2.9Å; F115-R118 WeakPolarHBondContact O-CB 3.4Å; F115-R118 PolarHBondContact O-N 2.94Å; D116-R118 PolarHBondContact O-N 3.02Å; R118-E120 VanDerWaalsContact C-N 3.32Å; R118-E120 PolarHBondContact O-N 3.29Å; R118-I121 PolarHBondContact O-N 3.43Å; R118-V122 HydrophobicContact CG-CG2 4.22Å; R118-V122 WeakPolarHBondContact O-CB 3.29Å; R118-V122 VanDerWaalsContact O-CG2 3.28Å; R118-V122 WeakPolarHBondContact O-CG2 3.48Å; R118-V122 PolarHBondContact O-N 2.96Å; R118-D203 IonicContact CZ-OD1 2.61Å; R118-D203 IonicContact NH2-OD1 2.9Å; R118-D203 PolarHBondContact NH2-OD1 3.3Å; R118-V342 PolarHBondContact NH1-O 3.13Å |
| 119 | S | 96.7 | Very high | 95 | Very high | 20 Ų | 20 | 67.3 Ų | 67.3 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 178.2 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | F115 D116 K117 I121 V122 T123 | F115-S119 PolarHBondContact O-N 3.33Å; D116-S119 WeakPolarHBondContact O-CB 3.42Å; D116-S119 PolarHBondContact O-N 2.9Å; D116-S119 VanDerWaalsContact O-N 3.14Å; K117-S119 VanDerWaalsContact C-N 3.32Å; K117-S119 PolarHBondContact O-N 2.73Å; S119-I121 VanDerWaalsContact C-N 3.33Å; S119-I121 PolarHBondContact O-N 3.03Å; S119-V122 PolarHBondContact O-N 3.1Å; S119-T123 WeakPolarHBondContact O-CB 3.33Å; S119-T123 WeakPolarHBondContact O-CG2 3.44Å; S119-T123 PolarHBondContact O-N 2.65Å; S119-T123 PolarHBondContact O-OG1 3.13Å |
| 120 | E | 96.4 | Very high | 94.8 | Very high | 93 Ų | 93 | 70.8 Ų | 70.8 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 175.8 | -69.4 | 175.9 | -177.7 | 0 | 0 | 112.5 | D116 K117 R118 T123 A124 A125 Y126 | D116-E120 WeakPolarHBondContact O-CG 3.49Å; D116-E120 PolarHBondContact O-N 2.94Å; K117-E120 PolarHBondContact O-N 2.82Å; R118-E120 VanDerWaalsContact C-N 3.32Å; R118-E120 PolarHBondContact O-N 3.29Å; E120-T123 PolarHBondContact O-OG1 3.19Å; E120-A124 CarbonylContact O-C 3.49Å; E120-A124 PolarHBondContact O-N 3.23Å; E120-A125 HydrophobicContact CB-CB 4.17Å; E120-A125 HydrophobicContact CG-CB 4.35Å; E120-A125 PolarHBondContact O-N 2.83Å; E120-Y126 PolarHBondContact O-N 2.8Å; E120-Y126 VanDerWaalsContact O-N 3.07Å |
| 121 | I | 95.9 | Very high | 94.3 | Very high | 51 Ų | 51 | 73 Ų | 73 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.4 | -50.7 | 175.3 | -66.1 | 167.5 | 0 | 0 | 0 | 110.8 | K117 R118 S119 T123 A124 Y126 P128 I172 | K117-I121 HydrophobicContact CG-CD1 4.32Å; K117-I121 WeakPolarHBondContact O-CG1 3.45Å; K117-I121 PolarHBondContact O-N 3.06Å; R118-I121 PolarHBondContact O-N 3.43Å; S119-I121 VanDerWaalsContact C-N 3.33Å; S119-I121 PolarHBondContact O-N 3.03Å; I121-T123 PolarHBondContact O-N 3.46Å; I121-A124 PolarHBondContact O-N 2.81Å; I121-Y126 HydrophobicContact CD1-CD1 4.39Å; I121-Y126 HydrophobicContact CG1-CD1 3.81Å; I121-P128 HydrophobicContact CD1-CG 4.09Å; I121-P128 HydrophobicContact CG1-CG 4Å; I121-P128 HydrophobicContact CG2-CG 3.96Å; I121-I172 HydrophobicContact CG2-CD1 4.42Å |
| 122 | V | 95.5 | Very high | 94 | Very high | 12 Ų | 12 | 71.2 Ų | 71.2 | 7% | 0.073 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.4 | -35.2 | -179 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | R118 S119 G171 I172 F175 | R118-V122 HydrophobicContact CG-CG2 4.22Å; R118-V122 WeakPolarHBondContact O-CB 3.29Å; R118-V122 VanDerWaalsContact O-CG2 3.28Å; R118-V122 WeakPolarHBondContact O-CG2 3.48Å; R118-V122 PolarHBondContact O-N 2.96Å; S119-V122 PolarHBondContact O-N 3.1Å; V122-G171 CarbonylContact O-C 3.59Å; V122-G171 VanDerWaalsContact O-CA 3.3Å; V122-G171 WeakPolarHBondContact O-CA 3.37Å; V122-I172 HydrophobicContact CG2-CD1 4.24Å; V122-I172 PolarHBondContact O-N 2.71Å; V122-F175 HydrophobicContact CG1-CB 3.67Å; V122-F175 HydrophobicContact CG1-CD1 4.06Å; V122-F175 HydrophobicContact CG1-CG 3.92Å; V122-F175 HydrophobicContact CG2-CB 4.48Å; V122-F175 HydrophobicContact CG2-CD1 3.91Å; V122-F175 HydrophobicContact CG2-CD2 4.08Å; V122-F175 HydrophobicContact CG2-CE1 4.14Å; V122-F175 HydrophobicContact CG2-CE2 4.3Å; V122-F175 HydrophobicContact CG2-CG 3.88Å; V122-F175 HydrophobicContact CG2-CZ 4.33Å |
| 123 | T | 94.2 | Very high | 93.6 | Very high | 48 Ų | 48 | 72.9 Ų | 72.9 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 0.1 | -179.9 | 58.3 | 0 | 0 | 0 | 0 | 114.5 | S119 E120 I121 A125 Q202 | S119-T123 WeakPolarHBondContact O-CB 3.33Å; S119-T123 WeakPolarHBondContact O-CG2 3.44Å; S119-T123 PolarHBondContact O-N 2.65Å; S119-T123 PolarHBondContact O-OG1 3.13Å; E120-T123 PolarHBondContact O-OG1 3.19Å; I121-T123 PolarHBondContact O-N 3.46Å; T123-A125 PolarHBondContact O-N 3.27Å; T123-Q202 HydrophobicContact CG2-CB 3.89Å; T123-Q202 HydrophobicContact CG2-CG 4.1Å |
| 124 | A | 93.7 | Very high | 93.1 | Very high | 39 Ų | 39 | 75.1 Ų | 75.1 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 34.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E120 I121 Y126 G171 | E120-A124 CarbonylContact O-C 3.49Å; E120-A124 PolarHBondContact O-N 3.23Å; I121-A124 PolarHBondContact O-N 2.81Å; A124-Y126 VanDerWaalsContact C-N 3.3Å; A124-G171 VanDerWaalsContact CB-CA 3.41Å |
| 125 | A | 92.5 | Very high | 92.2 | Very high | 78 Ų | 78 | 80.4 Ų | 80.4 | 65% | 0.645 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -74.4 | -27.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E120 T123 | E120-A125 HydrophobicContact CB-CB 4.17Å; E120-A125 HydrophobicContact CG-CB 4.35Å; E120-A125 PolarHBondContact O-N 2.83Å; T123-A125 PolarHBondContact O-N 3.27Å |
| 126 | Y | 92.5 | Very high | 91.3 | Very high | 70 Ų | 70 | 85.4 Ų | 85.4 | 28% | 0.275 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -130.3 | 131.5 | 174.7 | 177.1 | -102.3 | 0 | 0 | 0 | 110.2 | E120 I121 A124 E132 | E120-Y126 PolarHBondContact O-N 2.8Å; E120-Y126 VanDerWaalsContact O-N 3.07Å; I121-Y126 HydrophobicContact CD1-CD1 4.39Å; I121-Y126 HydrophobicContact CG1-CD1 3.81Å; A124-Y126 VanDerWaalsContact C-N 3.3Å; Y126-E132 VanDerWaalsContact CE1-OE2 3.29Å; Y126-E132 WeakPolarHBondContact CE1-OE2 3.28Å; Y126-E132 VanDerWaalsContact OH-CD 3.26Å; Y126-E132 PolarHBondContact OH-OE1 3.01Å; Y126-E132 PolarHBondContact OH-OE2 2.94Å |
| 127 | E | 92.3 | Very high | 89.4 | Confident | 149 Ų | 149 | 86 Ų | 86 | 70% | 0.696 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -97.4 | 120.5 | 172.9 | -166.2 | 66.4 | -146.9 | 0 | 0 | 108.5 | ||
| 128 | P | 92.7 | Very high | 87.3 | Confident | 34 Ų | 34 | 90.4 Ų | 90.4 | 22% | 0.221 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 147.2 | 177.8 | -24.7 | 34.6 | 0 | 0 | 0 | 113 | I121 E132 | I121-P128 HydrophobicContact CD1-CG 4.09Å; I121-P128 HydrophobicContact CG1-CG 4Å; I121-P128 HydrophobicContact CG2-CG 3.96Å; P128-E132 WeakPolarHBondContact CA-OE2 3.44Å; P128-E132 HydrophobicContact CB-CB 4.36Å |
| 129 | T | 90.4 | Very high | 85 | Confident | 65 Ų | 65 | 93.8 Ų | 93.8 | 40% | 0.399 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 159.3 | 170.2 | 67.2 | 0 | 0 | 0 | 0 | 111 | E131 E132 C133 | T129-E131 PolarHBondContact O-N 3.06Å; T129-E132 PolarHBondContact N-OE2 3.29Å; T129-E132 WeakPolarHBondContact O-CB 3.37Å; T129-E132 PolarHBondContact O-N 2.95Å; T129-E132 WeakPolarHBondContact OG1-CG 3.4Å; T129-E132 PolarHBondContact OG1-N 3.31Å; T129-C133 PolarHBondContact O-N 2.96Å; T129-C133 VanDerWaalsContact O-N 3.15Å |
| 130 | D | 88 | Confident | 82.6 | Confident | 141 Ų | 141 | 99.2 Ų | 99.2 | 75% | 0.754 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -53.3 | -40.1 | 176.3 | -63.4 | -20 | 0 | 0 | 0 | 111.9 | E132 C133 E134 | D130-E132 VanDerWaalsContact C-N 3.3Å; D130-E132 PolarHBondContact O-N 3.24Å; D130-C133 PolarHBondContact O-N 3.41Å; D130-E134 PolarHBondContact O-N 3.28Å; D130-E134 VanDerWaalsContact O-N 3.16Å |
| 131 | E | 87 | Confident | 80.4 | Confident | 154 Ų | 154 | 104.2 Ų | 104.2 | 72% | 0.72 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.9 | -29.5 | 177.4 | -63.2 | -178.2 | -178.3 | 0 | 0 | 113.4 | T129 | T129-E131 PolarHBondContact O-N 3.06Å |
| 132 | E | 88.1 | Confident | 78.1 | Confident | 85 Ų | 85 | 110 Ų | 110 | 40% | 0.397 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -80.5 | -24.4 | 177.4 | -70 | 174.9 | 145 | 0 | 0 | 112.4 | K117 Y126 P128 T129 D130 | K117-E132 IonicContact NZ-OE1 3.19Å; K117-E132 PolarHBondContact NZ-OE1 3.39Å; Y126-E132 VanDerWaalsContact CE1-OE2 3.29Å; Y126-E132 WeakPolarHBondContact CE1-OE2 3.28Å; Y126-E132 VanDerWaalsContact OH-CD 3.26Å; Y126-E132 PolarHBondContact OH-OE1 3.01Å; Y126-E132 PolarHBondContact OH-OE2 2.94Å; P128-E132 WeakPolarHBondContact CA-OE2 3.44Å; P128-E132 HydrophobicContact CB-CB 4.36Å; T129-E132 PolarHBondContact N-OE2 3.29Å; T129-E132 WeakPolarHBondContact O-CB 3.37Å; T129-E132 PolarHBondContact O-N 2.95Å; T129-E132 WeakPolarHBondContact OG1-CG 3.4Å; T129-E132 PolarHBondContact OG1-N 3.31Å; D130-E132 VanDerWaalsContact C-N 3.3Å; D130-E132 PolarHBondContact O-N 3.24Å |
| 133 | C | 87.3 | Confident | 75.7 | Confident | 90 Ų | 90 | 113.2 Ų | 113.2 | 61% | 0.608 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -82.6 | -19.4 | 174.8 | -67.3 | 0 | 0 | 0 | 0 | 112.8 | T129 D130 W135 | T129-C133 PolarHBondContact O-N 2.96Å; T129-C133 VanDerWaalsContact O-N 3.15Å; D130-C133 PolarHBondContact O-N 3.41Å; C133-W135 PolarHBondContact O-N 3.26Å |
| 134 | E | 87.1 | Confident | 73.5 | Confident | 128 Ų | 128 | 117.2 Ų | 117.2 | 60% | 0.598 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -72.4 | 107.1 | 175.3 | -77.4 | -178.6 | 178.7 | 0 | 0 | 110.5 | D130 K136 | D130-E134 PolarHBondContact O-N 3.28Å; D130-E134 VanDerWaalsContact O-N 3.16Å; E134-K136 PolarHBondContact O-N 3.21Å |
| 135 | W | 78.7 | Confident | 71.4 | Confident | 223 Ų | 223 | 121.2 Ų | 121.2 | 85% | 0.845 | 62% | 0.616 | S | S | * | * | trans | -67.2 | 112.3 | 170.4 | -175 | -98.8 | 0 | 0 | 0 | 109.9 | C133 T137 | C133-W135 PolarHBondContact O-N 3.26Å; W135-T137 PolarHBondContact O-N 3.44Å | ||
| 136 | K | 76.4 | Confident | 69.5 | Low | 147 Ų | 147 | 120.5 Ų | 120.5 | 64% | 0.639 | 61% | 0.606 | S | S | * | * | trans | -88.7 | 95.9 | 173.8 | -60.6 | -168.2 | -178.4 | -179.2 | 0 | 108.4 | E134 | E134-K136 PolarHBondContact O-N 3.21Š| ||
| 137 | T | 57.6 | Low | 67.6 | Low | 63 Ų | 63 | 123.1 Ų | 123.1 | 39% | 0.387 | 62% | 0.619 | S | S | . | * | trans | -67.6 | 140.8 | 161 | 36.1 | 0 | 0 | 0 | 0 | 108.5 | W135 E139 E140 | W135-T137 PolarHBondContact O-N 3.44Å; T137-E139 PolarHBondContact O-N 2.95Å; T137-E140 PolarHBondContact O-N 3.41Å | ||
| 138 | D | 53.1 | Low | 65.4 | Low | 172 Ų | 172 | 123.6 Ų | 123.6 | 92% | 0.92 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -60 | -0.6 | 170.7 | -71.3 | -36.3 | 0 | 0 | 0 | 112.8 | ||
| 139 | E | 48 | Very low | 63.3 | Low | 107 Ų | 107 | 127.9 Ų | 127.9 | 50% | 0.5 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -84.1 | 4.7 | 176.1 | -61.5 | -173.6 | 156.9 | 0 | 0 | 114.9 | T137 E141 E142 L143 | T137-E139 PolarHBondContact O-N 2.95Å; E139-E141 PolarHBondContact O-N 3.31Å; E139-E141 VanDerWaalsContact O-N 3.09Å; E139-E142 PolarHBondContact O-N 2.88Å; E139-L143 HydrophobicContact CB-CD1 4.14Å; E139-L143 PolarHBondContact O-N 2.91Å; E139-L143 VanDerWaalsContact OE2-CD1 3.24Å; E139-L143 WeakPolarHBondContact OE2-CD1 3.28Å |
| 140 | E | 47 | Very low | 61.5 | Low | 135 Ų | 135 | 131.1 Ų | 131.1 | 63% | 0.631 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -65.2 | -4.3 | 170.9 | -71.9 | -146.9 | 123.4 | 0 | 0 | 113.7 | T137 K147 | T137-E140 PolarHBondContact O-N 3.41Å; E140-K147 IonicContact OE1-NZ 3.62Å |
| 141 | E | 50.3 | Low | 59.9 | Low | 198 Ų | 198 | 131.5 Ų | 131.5 | 93% | 0.925 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -91.3 | -10.1 | 164.6 | -72.9 | -161.7 | 160.5 | 0 | 0 | 115.1 | E139 | E139-E141 PolarHBondContact O-N 3.31Å; E139-E141 VanDerWaalsContact O-N 3.09Å |
| 142 | E | 47.3 | Very low | 58 | Low | 172 Ų | 172 | 130.7 Ų | 130.7 | 80% | 0.804 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | -16.5 | -173.3 | -153.1 | 164.9 | -165.9 | 0 | 0 | 116.8 | E139 | E139-E142 PolarHBondContact O-N 2.88Š|
| 143 | L | 45.1 | Very low | 56.2 | Low | 79 Ų | 79 | 133.1 Ų | 133.1 | 41% | 0.414 | 66% | 0.657 | S | S | . | * | trans | -114.4 | 63.2 | -172.5 | -89 | 144 | 0 | 0 | 0 | 115.3 | E139 V145 | E139-L143 HydrophobicContact CB-CD1 4.14Å; E139-L143 PolarHBondContact O-N 2.91Å; E139-L143 VanDerWaalsContact OE2-CD1 3.24Å; E139-L143 WeakPolarHBondContact OE2-CD1 3.28Å; L143-V145 PolarHBondContact O-N 3.41Å | ||
| 144 | T | 48.8 | Very low | 54.6 | Low | 133 Ų | 133 | 136.1 Ų | 136.1 | 82% | 0.816 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -76.9 | 7.1 | 165.4 | 52 | 0 | 0 | 0 | 0 | 114.7 | ||
| 145 | V | 49.8 | Very low | 52.6 | Low | 123 Ų | 123 | 132.7 Ų | 132.7 | 75% | 0.745 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -106.2 | -22.5 | -170.8 | -176 | 0 | 0 | 0 | 0 | 114.5 | L143 | L143-V145 PolarHBondContact O-N 3.41Š|
| 146 | S | 51.5 | Low | 51 | Low | 62 Ų | 62 | 129.6 Ų | 129.6 | 43% | 0.434 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -95.2 | -9.2 | -175.5 | -51.5 | 0 | 0 | 0 | 0 | 115.3 | Q148 D149 | S146-Q148 PolarHBondContact O-N 3.41Å; S146-D149 PolarHBondContact O-N 3.2Å |
| 147 | K | 52.4 | Low | 49.6 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 55% | 0.548 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.6 | -7.2 | -175.8 | -72.5 | -176.4 | 175.6 | 178.5 | 0 | 115.2 | E140 | E140-K147 IonicContact OE1-NZ 3.62Å |
| 148 | Q | 47.2 | Very low | 49 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -91.3 | -24.6 | 179.3 | -81.2 | -173.9 | -0.1 | 0 | 0 | 114.9 | S146 | S146-Q148 PolarHBondContact O-N 3.41Å |
| 149 | D | 49.3 | Very low | 48.5 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 66% | 0.663 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -88.7 | -37.5 | 179.3 | -75.4 | -35 | 0 | 0 | 0 | 111.5 | S146 M151 K152 E153 | S146-D149 PolarHBondContact O-N 3.2Å; D149-M151 PolarHBondContact O-N 2.96Å; D149-K152 PolarHBondContact O-N 3.01Å; D149-E153 PolarHBondContact O-N 3.4Å |
| 150 | E | 52.2 | Low | 48.3 | Very low | 134 Ų | 134 | 135 Ų | 135 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.4 | -35.9 | 175.2 | -65.4 | -174.5 | 138.8 | 0 | 0 | 113.4 | K152 E153 K154 | E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.49Å; E150-E153 PolarHBondContact O-N 3.13Å; E150-K154 PolarHBondContact O-N 3.24Å |
| 151 | M | 53.2 | Low | 48.2 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 73% | 0.729 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -67.4 | -28.1 | 175.8 | -98.2 | -172.7 | 173.2 | 0 | 0 | 112.8 | D149 A155 | D149-M151 PolarHBondContact O-N 2.96Å; M151-A155 WeakPolarHBondContact O-CB 3.48Å; M151-A155 PolarHBondContact O-N 3.16Å |
| 152 | K | 47.7 | Very low | 47.9 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 60% | 0.6 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -80.3 | -28.8 | 177.5 | -84.1 | 177.4 | 179.8 | 166.5 | 0 | 112.7 | D149 E150 K156 | D149-K152 PolarHBondContact O-N 3.01Å; E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.49Å; K152-K156 WeakPolarHBondContact O-CG 3.47Å; K152-K156 PolarHBondContact O-N 3.43Å |
| 153 | E | 50.3 | Low | 47.8 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.3 | -44.8 | 172.4 | -110.5 | -156.8 | 143.8 | 0 | 0 | 112.1 | D149 E150 A155 K156 L157 | D149-E153 PolarHBondContact O-N 3.4Å; E150-E153 PolarHBondContact O-N 3.13Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-A155 PolarHBondContact O-N 3.03Å; E153-K156 PolarHBondContact O-N 3.01Å; E153-K156 VanDerWaalsContact O-N 3.11Å; E153-L157 PolarHBondContact O-N 3.38Å |
| 154 | K | 53 | Low | 47.7 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 67% | 0.665 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -57.3 | -42.3 | 173.8 | -87 | -176.8 | 172.9 | 177.4 | 0 | 112.2 | E150 K156 L157 E158 | E150-K154 PolarHBondContact O-N 3.24Å; K154-K156 VanDerWaalsContact C-N 3.33Å; K154-K156 PolarHBondContact O-N 2.95Å; K154-L157 PolarHBondContact O-N 3.19Å; K154-E158 WeakPolarHBondContact O-CG 3.16Å; K154-E158 PolarHBondContact O-N 2.94Å |
| 155 | A | 45 | Very low | 47.7 | Very low | 56 Ų | 56 | 141.7 Ų | 141.7 | 46% | 0.463 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -68.1 | -27.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | M151 E153 | M151-A155 WeakPolarHBondContact O-CB 3.48Å; M151-A155 PolarHBondContact O-N 3.16Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-A155 PolarHBondContact O-N 3.03Å |
| 156 | K | 46.6 | Very low | 47.7 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -79.3 | -36.3 | 175.1 | -80.4 | -178.8 | 176 | -177 | 0 | 112.5 | K152 E153 K154 | K152-K156 WeakPolarHBondContact O-CG 3.47Å; K152-K156 PolarHBondContact O-N 3.43Å; E153-K156 PolarHBondContact O-N 3.01Å; E153-K156 VanDerWaalsContact O-N 3.11Å; K154-K156 VanDerWaalsContact C-N 3.33Å; K154-K156 PolarHBondContact O-N 2.95Å |
| 157 | L | 47 | Very low | 47.8 | Very low | 95 Ų | 95 | 148.4 Ų | 148.4 | 50% | 0.497 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -69.7 | -32 | 176.2 | -81.7 | 155.4 | 0 | 0 | 0 | 112.6 | E153 K154 K161 | E153-L157 PolarHBondContact O-N 3.38Å; K154-L157 PolarHBondContact O-N 3.19Å; L157-K161 PolarHBondContact O-N 3.45Å |
| 158 | E | 44.9 | Very low | 48.1 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 73% | 0.729 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -74.7 | -28.8 | 177.5 | -77.2 | -172.6 | 168.6 | 0 | 0 | 114.1 | K154 | K154-E158 WeakPolarHBondContact O-CG 3.16Å; K154-E158 PolarHBondContact O-N 2.94Å |
| 159 | E | 42.4 | Very low | 49.4 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -77.5 | -24.4 | 174.1 | -83.8 | -163.2 | 148 | 0 | 0 | 113.2 | ||
| 160 | E | 43.9 | Very low | 51 | Low | 175 Ų | 175 | 150 Ų | 150 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -89.6 | -17.7 | 178.8 | -75 | -169.3 | 156.9 | 0 | 0 | 114.7 | K162 | E160-K162 PolarHBondContact O-N 3.16Å |
| 161 | K | 44.7 | Very low | 52.8 | Low | 173 Ų | 173 | 144.6 Ų | 144.6 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | trans | -98.1 | 35.9 | 178.7 | -78.1 | -168.2 | 178.2 | 179.7 | 0 | 114.8 | L157 D163 | L157-K161 PolarHBondContact O-N 3.45Å; K161-D163 VanDerWaalsContact C-N 3.27Å; K161-D163 PolarHBondContact O-N 3.2Å | ||
| 162 | K | 44.4 | Very low | 54.7 | Low | 187 Ų | 187 | 140.4 Ų | 140.4 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -93.4 | 42.9 | 170.8 | -135.1 | -176.2 | -165.3 | 176.6 | 0 | 112.4 | E160 | E160-K162 PolarHBondContact O-N 3.16Š|
| 163 | D | 43.7 | Very low | 56.8 | Low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -169.2 | 60.4 | 170.1 | -105.2 | -27.3 | 0 | 0 | 0 | 111.9 | K161 | K161-D163 VanDerWaalsContact C-N 3.27Å; K161-D163 PolarHBondContact O-N 3.2Å |
| 164 | E | 43.6 | Very low | 59 | Low | 132 Ų | 132 | 134.8 Ų | 134.8 | 62% | 0.617 | 66% | 0.658 | S | S | * | * | trans | -146.7 | 87.5 | 153.4 | -71.5 | -161.6 | 152.4 | 0 | 0 | 109.1 | K166 | E164-K166 HydrophobicContact CB-CD 4.33Å; E164-K166 HydrophobicContact CB-CG 4.12Å; E164-K166 HydrophobicContact CG-CD 4.48Å; E164-K166 PolarHBondContact O-N 3.23Å; E164-K166 WeakPolarHBondContact OE1-CE 3.5Å; E164-K166 IonicContact OE1-NZ 3.81Å; E164-K166 PolarHBondContact OE1-NZ 3.15Å; E164-K166 VanDerWaalsContact OE2-CD 3.25Å; E164-K166 WeakPolarHBondContact OE2-CD 3.42Å; E164-K166 WeakPolarHBondContact OE2-CE 3.35Å; E164-K166 IonicContact OE2-NZ 2.79Å; E164-K166 PolarHBondContact OE2-NZ 3.09Å | ||
| 165 | E | 49.9 | Very low | 61.1 | Low | 209 Ų | 209 | 127.9 Ų | 127.9 | 98% | 0.977 | 63% | 0.628 | S | S | * | * | trans | -61.5 | 82.1 | 149.3 | -83 | -175.3 | 153.1 | 0 | 0 | 107.1 | ||||
| 166 | K | 48.9 | Very low | 63.6 | Low | 142 Ų | 142 | 125.3 Ų | 125.3 | 62% | 0.617 | 61% | 0.607 | S | S | * | * | trans | -107.2 | 122 | 167 | -81.2 | -176.7 | -174.8 | 161.3 | 0 | 107.4 | E164 N168 | E164-K166 HydrophobicContact CB-CD 4.33Å; E164-K166 HydrophobicContact CB-CG 4.12Å; E164-K166 HydrophobicContact CG-CD 4.48Å; E164-K166 PolarHBondContact O-N 3.23Å; E164-K166 WeakPolarHBondContact OE1-CE 3.5Å; E164-K166 IonicContact OE1-NZ 3.81Å; E164-K166 PolarHBondContact OE1-NZ 3.15Å; E164-K166 VanDerWaalsContact OE2-CD 3.25Å; E164-K166 WeakPolarHBondContact OE2-CD 3.42Å; E164-K166 WeakPolarHBondContact OE2-CE 3.35Å; E164-K166 IonicContact OE2-NZ 2.79Å; E164-K166 PolarHBondContact OE2-NZ 3.09Å; K166-N168 PolarHBondContact O-N 3.11Å | ||
| 167 | E | 52.8 | Low | 66 | Low | 183 Ų | 183 | 117.9 Ų | 117.9 | 86% | 0.855 | 57% | 0.574 | S | S | * | * | trans | -11.2 | 120.6 | 175.8 | -64.5 | -179.3 | 138.4 | 0 | 0 | 114.1 | P169 | E167-P169 WeakPolarHBondContact O-CD 3.46Š| ||
| 168 | N | 60.2 | Low | 68.4 | Low | 162 Ų | 162 | 115.2 Ų | 115.2 | 87% | 0.866 | 56% | 0.562 | S | S | * | * | trans | -56.7 | 103 | 163.8 | -77.9 | -20.7 | 0 | 0 | 0 | 107.6 | K166 K170 | K166-N168 PolarHBondContact O-N 3.11Å; N168-K170 PolarHBondContact O-N 3.33Å | ||
| 169 | P | 74.2 | Confident | 70.9 | Confident | 91 Ų | 91 | 107.8 Ų | 107.8 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | trans | -67.2 | 137.8 | 179.5 | 29.8 | -29 | 0 | 0 | 0 | 107.4 | E167 G171 P173 | E167-P169 WeakPolarHBondContact O-CD 3.46Å; P169-G171 PolarHBondContact O-N 3.23Å; P169-P173 HydrophobicContact CB-CG 4.05Å | ||
| 170 | K | 82.1 | Confident | 73.5 | Confident | 190 Ų | 190 | 99.4 Ų | 99.4 | 83% | 0.826 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -79.1 | 113.1 | 174.6 | -71.3 | -173.9 | 179.5 | -177.1 | 0 | 108.7 | N168 | N168-K170 PolarHBondContact O-N 3.33Š|
| 171 | G | 90.2 | Very high | 75.9 | Confident | 20 Ų | 20 | 94.8 Ų | 94.8 | 21% | 0.206 | 47% | 0.465 | C | S | . | . | S | Bend | trans | 74.5 | -149.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V122 A124 P169 P173 | V122-G171 CarbonylContact O-C 3.59Å; V122-G171 VanDerWaalsContact O-CA 3.3Å; V122-G171 WeakPolarHBondContact O-CA 3.37Å; A124-G171 VanDerWaalsContact CB-CA 3.41Å; P169-G171 PolarHBondContact O-N 3.23Å; G171-P173 WeakPolarHBondContact O-CD 3.47Å |
| 172 | I | 93.6 | Very high | 78.3 | Confident | 59 Ų | 59 | 88.8 Ų | 88.8 | 30% | 0.303 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -107.6 | 98.3 | 175 | -55 | 174.7 | 0 | 0 | 0 | 107.2 | I121 V122 E174 F175 F349 | I121-I172 HydrophobicContact CG2-CD1 4.42Å; V122-I172 HydrophobicContact CG2-CD1 4.24Å; V122-I172 PolarHBondContact O-N 2.71Å; I172-E174 PolarHBondContact O-N 2.98Å; I172-F175 HydrophobicContact CB-CB 4.32Å; I172-F175 HydrophobicContact CB-CD2 4.44Å; I172-F175 HydrophobicContact CD1-CD2 4.46Å; I172-F175 HydrophobicContact CG2-CB 4.09Å; I172-F175 HydrophobicContact CG2-CD2 3.95Å; I172-F175 PolarHBondContact O-N 2.97Å; I172-F349 HydrophobicContact CG2-CE1 4.2Å; I172-F349 HydrophobicContact CG2-CE2 3.96Å; I172-F349 HydrophobicContact CG2-CZ 3.58Å |
| 173 | P | 92.1 | Very high | 80.6 | Confident | 81 Ų | 81 | 80.2 Ų | 80.2 | 53% | 0.526 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 140.6 | -177.9 | -23.7 | 34.4 | 0 | 0 | 0 | 111.4 | P169 G171 F175 | P169-P173 HydrophobicContact CB-CG 4.05Å; G171-P173 WeakPolarHBondContact O-CD 3.47Å; P173-F175 PolarHBondContact O-N 3.37Å |
| 174 | E | 94.7 | Very high | 82.8 | Confident | 76 Ų | 76 | 77.7 Ų | 77.7 | 36% | 0.355 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 18.1 | 172.4 | -49.9 | -169.6 | 176.7 | 0 | 0 | 114.3 | I172 W176 L177 T178 K199 | I172-E174 PolarHBondContact O-N 2.98Å; E174-W176 PolarHBondContact O-N 3.24Å; E174-L177 HydrophobicContact CB-CB 4.2Å; E174-L177 HydrophobicContact CB-CD2 4.38Å; E174-L177 CarbonylContact O-C 3.57Å; E174-L177 WeakPolarHBondContact O-CA 3.16Å; E174-L177 WeakPolarHBondContact O-CB 3.19Å; E174-L177 PolarHBondContact O-N 3.24Å; E174-T178 PolarHBondContact O-N 3.21Å; E174-T178 PolarHBondContact O-OG1 3.05Å; E174-T178 VanDerWaalsContact O-OG1 3.1Å; E174-K199 HydrophobicContact CG-CG 4.16Å; E174-K199 WeakPolarHBondContact OE1-CD 3.46Å; E174-K199 VanDerWaalsContact OE1-CE 3.25Å; E174-K199 WeakPolarHBondContact OE1-CE 3.41Å; E174-K199 IonicContact OE1-NZ 2.83Å; E174-K199 PolarHBondContact OE1-NZ 3.45Å; E174-K199 IonicContact OE2-NZ 3.14Å |
| 175 | F | 97.7 | Very high | 85.1 | Confident | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.035 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -45.2 | -57.8 | -175.5 | 179.9 | -97 | 0 | 0 | 0 | 113.5 | V122 I172 P173 T178 V179 A345 F349 | V122-F175 HydrophobicContact CG1-CB 3.67Å; V122-F175 HydrophobicContact CG1-CD1 4.06Å; V122-F175 HydrophobicContact CG1-CG 3.92Å; V122-F175 HydrophobicContact CG2-CB 4.48Å; V122-F175 HydrophobicContact CG2-CD1 3.91Å; V122-F175 HydrophobicContact CG2-CD2 4.08Å; V122-F175 HydrophobicContact CG2-CE1 4.14Å; V122-F175 HydrophobicContact CG2-CE2 4.3Å; V122-F175 HydrophobicContact CG2-CG 3.88Å; V122-F175 HydrophobicContact CG2-CZ 4.33Å; I172-F175 HydrophobicContact CB-CB 4.32Å; I172-F175 HydrophobicContact CB-CD2 4.44Å; I172-F175 HydrophobicContact CD1-CD2 4.46Å; I172-F175 HydrophobicContact CG2-CB 4.09Å; I172-F175 HydrophobicContact CG2-CD2 3.95Å; I172-F175 PolarHBondContact O-N 2.97Å; P173-F175 PolarHBondContact O-N 3.37Å; F175-T178 PolarHBondContact O-N 3.47Å; F175-V179 HydrophobicContact CE1-CG2 4.41Å; F175-V179 WeakPolarHBondContact O-CG2 3.25Å; F175-V179 PolarHBondContact O-N 2.98Å; F175-A345 HydrophobicContact CE1-CB 3.95Å; F175-A345 HydrophobicContact CZ-CB 4.01Å; F175-F349 HydrophobicContact CB-CD2 4.43Å; F175-F349 HydrophobicContact CB-CE2 4.44Å; F175-F349 HydrophobicContact CD2-CB 4.09Å; F175-F349 HydrophobicContact CD2-CD1 4.22Å; F175-F349 AromaticContact CD2-CD2 3.47Å; F175-F349 HydrophobicContact CD2-CD2 3.47Å; F175-F349 VanDerWaalsContact CD2-CD2 3.47Å; F175-F349 AromaticContact CD2-CE2 3.91Å; F175-F349 HydrophobicContact CD2-CE2 3.91Å; F175-F349 AromaticContact CD2-CG 3.65Å; F175-F349 HydrophobicContact CD2-CG 3.65Å; F175-F349 HydrophobicContact CD2-CZ 4.45Å; F175-F349 HydrophobicContact CE2-CB 3.65Å; F175-F349 HydrophobicContact CE2-CD1 4.16Å; F175-F349 AromaticContact CE2-CD2 3.95Å; F175-F349 HydrophobicContact CE2-CD2 3.95Å; F175-F349 AromaticContact CE2-CG 3.64Å; F175-F349 HydrophobicContact CE2-CG 3.64Å; F175-F349 HydrophobicContact CG-CD2 4.14Å; F175-F349 HydrophobicContact CZ-CB 4.23Å; F175-F349 WeakPolarHBondContact O-CD2 3.49Å |
| 176 | W | 98 | Very high | 87.2 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.8 | -30.2 | 179.7 | -67.5 | 105.1 | 0 | 0 | 0 | 113.7 | E174 V179 F180 L201 Q202 D203 I204 I341 A345 | E174-W176 PolarHBondContact O-N 3.24Å; W176-V179 HydrophobicContact CE3-CB 4.48Å; W176-V179 HydrophobicContact CE3-CG1 4.38Å; W176-V179 PolarHBondContact O-N 3.04Å; W176-F180 WeakPolarHBondContact O-CD2 3.26Å; W176-F180 PolarHBondContact O-N 3.45Å; W176-L201 HydrophobicContact CB-CB 4.4Å; W176-L201 HydrophobicContact CB-CD2 3.66Å; W176-L201 HydrophobicContact CB-CG 3.96Å; W176-L201 HydrophobicContact CG-CD2 4.15Å; W176-L201 HydrophobicContact CG-CG 4.14Å; W176-Q202 PolarHBondContact NE1-O 3.26Å; W176-D203 WeakPolarHBondContact CZ2-OD1 3.48Å; W176-D203 VanDerWaalsContact NE1-CA 3.33Å; W176-I204 HydrophobicContact CD2-CD1 4.01Å; W176-I204 HydrophobicContact CD2-CG1 3.96Å; W176-I204 HydrophobicContact CE3-CB 4.48Å; W176-I204 HydrophobicContact CE3-CD1 3.54Å; W176-I204 HydrophobicContact CE3-CG1 3.92Å; W176-I204 HydrophobicContact CH2-CB 4.03Å; W176-I204 HydrophobicContact CH2-CG1 4.33Å; W176-I204 HydrophobicContact CZ2-CB 4.24Å; W176-I204 HydrophobicContact CZ2-CG1 4.39Å; W176-I204 HydrophobicContact CZ3-CB 4.17Å; W176-I204 HydrophobicContact CZ3-CD1 3.84Å; W176-I204 HydrophobicContact CZ3-CG1 4.11Å; W176-I341 HydrophobicContact CZ3-CG2 4.12Å; W176-A345 HydrophobicContact CH2-CB 3.57Å; W176-A345 HydrophobicContact CZ2-CB 4.44Å; W176-A345 HydrophobicContact CZ3-CB 3.62Å |
| 177 | L | 97.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 175.1 | 174.1 | 61.2 | 0 | 0 | 0 | 110.6 | E174 F180 K181 L190 E195 L198 K199 | E174-L177 HydrophobicContact CB-CB 4.2Å; E174-L177 HydrophobicContact CB-CD2 4.38Å; E174-L177 CarbonylContact O-C 3.57Å; E174-L177 WeakPolarHBondContact O-CA 3.16Å; E174-L177 WeakPolarHBondContact O-CB 3.19Å; E174-L177 PolarHBondContact O-N 3.24Å; L177-F180 PolarHBondContact O-N 3.05Å; L177-K181 HydrophobicContact CD1-CG 4.48Å; L177-K181 WeakPolarHBondContact O-CG 3.42Å; L177-K181 PolarHBondContact O-N 3.22Å; L177-L190 HydrophobicContact CD1-CD1 3.82Å; L177-E195 HydrophobicContact CD1-CB 4.32Å; L177-E195 HydrophobicContact CD1-CG 4.22Å; L177-E195 HydrophobicContact CD2-CB 4.2Å; L177-L198 HydrophobicContact CB-CB 4.48Å; L177-L198 HydrophobicContact CD1-CB 3.99Å; L177-L198 HydrophobicContact CD1-CD1 4.2Å; L177-K199 HydrophobicContact CD2-CG 3.74Å |
| 178 | T | 97.3 | Very high | 91.2 | Very high | 39 Ų | 39 | 57.1 Ų | 57.1 | 24% | 0.239 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 174.1 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | E174 F175 F180 K181 N182 F349 | E174-T178 PolarHBondContact O-N 3.21Å; E174-T178 PolarHBondContact O-OG1 3.05Å; E174-T178 VanDerWaalsContact O-OG1 3.1Å; F175-T178 PolarHBondContact O-N 3.47Å; T178-F180 VanDerWaalsContact C-N 3.26Å; T178-F180 PolarHBondContact O-N 3.39Å; T178-K181 PolarHBondContact O-N 2.82Å; T178-K181 VanDerWaalsContact O-N 3.12Å; T178-N182 WeakPolarHBondContact O-CB 3.27Å; T178-N182 VanDerWaalsContact O-CG 3.32Å; T178-N182 PolarHBondContact O-N 3.47Å; T178-F349 HydrophobicContact CG2-CD2 3.91Å; T178-F349 HydrophobicContact CG2-CE2 4.04Å |
| 179 | V | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.1 | -43.3 | 173.9 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | F175 W176 N182 V183 I341 A345 F349 | F175-V179 HydrophobicContact CE1-CG2 4.41Å; F175-V179 WeakPolarHBondContact O-CG2 3.25Å; F175-V179 PolarHBondContact O-N 2.98Å; W176-V179 HydrophobicContact CE3-CB 4.48Å; W176-V179 HydrophobicContact CE3-CG1 4.38Å; W176-V179 PolarHBondContact O-N 3.04Å; V179-N182 PolarHBondContact O-N 3.38Å; V179-V183 WeakPolarHBondContact O-CG2 3.42Å; V179-V183 PolarHBondContact O-N 3.05Å; V179-I341 HydrophobicContact CG1-CD1 4.47Å; V179-I341 HydrophobicContact CG1-CG2 3.8Å; V179-A345 VanDerWaalsContact CG2-O 3.28Å; V179-A345 WeakPolarHBondContact CG2-O 3.39Å; V179-F349 HydrophobicContact CG2-CB 3.8Å |
| 180 | F | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.4 | -37 | 179.1 | -87.3 | -127.8 | 0 | 0 | 0 | 112.6 | W176 L177 T178 L186 S187 L190 L198 I204 F221 F303 | W176-F180 WeakPolarHBondContact O-CD2 3.26Å; W176-F180 PolarHBondContact O-N 3.45Å; L177-F180 PolarHBondContact O-N 3.05Å; T178-F180 VanDerWaalsContact C-N 3.26Å; T178-F180 PolarHBondContact O-N 3.39Å; F180-L186 HydrophobicContact CB-CB 4.46Å; F180-L186 HydrophobicContact CD1-CB 4.2Å; F180-L186 HydrophobicContact CD1-CD1 4.33Å; F180-L186 HydrophobicContact CD2-CD1 3.96Å; F180-L186 HydrophobicContact CE1-CD1 4.35Å; F180-L186 HydrophobicContact CE2-CD1 3.98Å; F180-L186 HydrophobicContact CG-CB 4.34Å; F180-L186 HydrophobicContact CG-CD1 4.13Å; F180-L186 HydrophobicContact CZ-CD1 4.17Å; F180-S187 PolarHBondContact O-N 2.79Å; F180-L190 HydrophobicContact CB-CD1 4.1Å; F180-L190 HydrophobicContact CD1-CD1 4.47Å; F180-L198 HydrophobicContact CD1-CD1 4.36Å; F180-I204 HydrophobicContact CE2-CD1 3.61Å; F180-I204 HydrophobicContact CZ-CD1 3.98Å; F180-F221 HydrophobicContact CZ-CE1 4.08Å; F180-F303 HydrophobicContact CD1-CE2 4.44Å; F180-F303 HydrophobicContact CE1-CD2 4.16Å; F180-F303 HydrophobicContact CE1-CE1 4.07Å; F180-F303 AromaticContact CE1-CE2 3.58Å; F180-F303 HydrophobicContact CE1-CE2 3.58Å; F180-F303 AromaticContact CE1-CZ 3.53Å; F180-F303 HydrophobicContact CE1-CZ 3.53Å; F180-F303 HydrophobicContact CZ-CE2 4.44Å; F180-F303 HydrophobicContact CZ-CZ 4.13Å |
| 181 | K | 95.3 | Very high | 94.4 | Very high | 77 Ų | 77 | 41.7 Ų | 41.7 | 34% | 0.335 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.7 | -31.2 | 178.5 | -73.7 | -177.3 | 174 | -169.9 | 0 | 113.3 | L177 T178 V183 E195 | L177-K181 HydrophobicContact CD1-CG 4.48Å; L177-K181 WeakPolarHBondContact O-CG 3.42Å; L177-K181 PolarHBondContact O-N 3.22Å; T178-K181 PolarHBondContact O-N 2.82Å; T178-K181 VanDerWaalsContact O-N 3.12Å; K181-V183 VanDerWaalsContact C-N 3.26Å; K181-V183 PolarHBondContact O-N 2.79Å; K181-E195 VanDerWaalsContact CE-CD 3.41Å; K181-E195 WeakPolarHBondContact CE-OE1 3.28Å; K181-E195 IonicContact NZ-OE1 2.88Å; K181-E195 PolarHBondContact NZ-OE1 3.41Å; K181-E195 IonicContact NZ-OE2 2.65Å; K181-E195 PolarHBondContact NZ-OE2 3.2Å |
| 182 | N | 94.1 | Very high | 94.7 | Very high | 48 Ų | 48 | 48.9 Ų | 48.9 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -6.2 | -179.5 | -71.8 | -1.1 | 0 | 0 | 0 | 113.2 | T178 V179 Y348 F349 I354 | T178-N182 WeakPolarHBondContact O-CB 3.27Å; T178-N182 VanDerWaalsContact O-CG 3.32Å; T178-N182 PolarHBondContact O-N 3.47Å; V179-N182 PolarHBondContact O-N 3.38Å; N182-Y348 WeakPolarHBondContact CB-O 3.25Å; N182-Y348 PolarHBondContact ND2-O 3.46Å; N182-F349 PolarHBondContact ND2-O 3.5Å; N182-I354 HydrophobicContact CB-CD1 4.01Å; N182-I354 HydrophobicContact CB-CG1 4.37Å |
| 183 | V | 92.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -114 | 110.5 | -176.4 | 170.1 | 0 | 0 | 0 | 0 | 107.8 | V179 K181 L185 L186 S187 F336 I341 Y348 | V179-V183 WeakPolarHBondContact O-CG2 3.42Å; V179-V183 PolarHBondContact O-N 3.05Å; K181-V183 VanDerWaalsContact C-N 3.26Å; K181-V183 PolarHBondContact O-N 2.79Å; V183-L185 VanDerWaalsContact C-N 3.33Å; V183-L185 HydrophobicContact CG1-CB 4.48Å; V183-L185 PolarHBondContact O-N 3.36Å; V183-L186 HydrophobicContact CB-CB 4.18Å; V183-L186 HydrophobicContact CB-CD1 4.18Å; V183-L186 HydrophobicContact CB-CG 4.26Å; V183-L186 HydrophobicContact CG1-CB 4Å; V183-L186 HydrophobicContact CG1-CD1 3.93Å; V183-L186 HydrophobicContact CG1-CG 3.7Å; V183-L186 PolarHBondContact O-N 2.92Å; V183-S187 WeakPolarHBondContact O-CB 3.32Å; V183-S187 PolarHBondContact O-N 2.99Å; V183-F336 HydrophobicContact CG1-CD1 4.41Å; V183-F336 HydrophobicContact CG1-CE1 3.54Å; V183-F336 HydrophobicContact CG1-CZ 4.3Å; V183-I341 HydrophobicContact CB-CD1 4.34Å; V183-I341 HydrophobicContact CG1-CD1 4.04Å; V183-I341 HydrophobicContact CG2-CD1 3.51Å; V183-Y348 HydrophobicContact CG2-CD1 3.33Å; V183-Y348 HydrophobicContact CG2-CE1 3.79Å; V183-Y348 HydrophobicContact CG2-CG 3.91Å |
| 184 | D | 91.4 | Very high | 95 | Very high | 104 Ų | 104 | 45.2 Ų | 45.2 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -53.8 | -48.1 | -172 | -62.7 | -31.9 | 0 | 0 | 0 | 112.8 | L186 S187 D188 | D184-L186 PolarHBondContact O-N 3.5Å; D184-L186 VanDerWaalsContact O-N 3.15Å; D184-S187 PolarHBondContact O-N 3.45Å; D184-S187 VanDerWaalsContact O-N 3.15Å; D184-D188 PolarHBondContact O-N 3.48Å |
| 185 | L | 91 | Very high | 95.2 | Very high | 56 Ų | 56 | 43.9 Ų | 43.9 | 29% | 0.293 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.6 | -35.5 | 177.9 | -177.3 | 64.2 | 0 | 0 | 0 | 113.4 | V183 E332 I333 F336 | V183-L185 VanDerWaalsContact C-N 3.33Å; V183-L185 HydrophobicContact CG1-CB 4.48Å; V183-L185 PolarHBondContact O-N 3.36Å; L185-E332 HydrophobicContact CD2-CG 4.49Å; L185-I333 HydrophobicContact CD1-CG1 4.12Å; L185-I333 HydrophobicContact CD2-CG1 4Å; L185-I333 HydrophobicContact CG-CG1 3.99Å; L185-F336 HydrophobicContact CD2-CB 4.13Å; L185-F336 HydrophobicContact CD2-CD1 4.06Å; L185-F336 HydrophobicContact CD2-CG 4.07Å |
| 186 | L | 93.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -88 | -33.1 | 179.5 | -63.4 | -179.3 | 0 | 0 | 0 | 112.2 | F180 V183 D184 M189 L190 I333 I337 I341 | F180-L186 HydrophobicContact CB-CB 4.46Å; F180-L186 HydrophobicContact CD1-CB 4.2Å; F180-L186 HydrophobicContact CD1-CD1 4.33Å; F180-L186 HydrophobicContact CD2-CD1 3.96Å; F180-L186 HydrophobicContact CE1-CD1 4.35Å; F180-L186 HydrophobicContact CE2-CD1 3.98Å; F180-L186 HydrophobicContact CG-CB 4.34Å; F180-L186 HydrophobicContact CG-CD1 4.13Å; F180-L186 HydrophobicContact CZ-CD1 4.17Å; V183-L186 HydrophobicContact CB-CB 4.18Å; V183-L186 HydrophobicContact CB-CD1 4.18Å; V183-L186 HydrophobicContact CB-CG 4.26Å; V183-L186 HydrophobicContact CG1-CB 4Å; V183-L186 HydrophobicContact CG1-CD1 3.93Å; V183-L186 HydrophobicContact CG1-CG 3.7Å; V183-L186 PolarHBondContact O-N 2.92Å; D184-L186 PolarHBondContact O-N 3.5Å; D184-L186 VanDerWaalsContact O-N 3.15Å; L186-M189 HydrophobicContact CD2-SD 4.49Å; L186-M189 PolarHBondContact O-N 2.98Å; L186-L190 PolarHBondContact O-N 3.33Å; L186-I333 HydrophobicContact CD2-CG2 3.95Å; L186-I337 HydrophobicContact CD2-CD1 4.15Å; L186-I337 HydrophobicContact CD2-CG1 4.19Å; L186-I341 HydrophobicContact CD1-CD1 4.12Å; L186-I341 HydrophobicContact CD1-CG1 4.13Å |
| 187 | S | 94 | Very high | 95.1 | Very high | 45 Ų | 45 | 46 Ų | 46 | 32% | 0.315 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64 | -41.3 | 178.5 | -167 | 0 | 0 | 0 | 0 | 110.8 | F180 V183 D184 M189 L190 | F180-S187 PolarHBondContact O-N 2.79Å; V183-S187 WeakPolarHBondContact O-CB 3.32Å; V183-S187 PolarHBondContact O-N 2.99Å; D184-S187 PolarHBondContact O-N 3.45Å; D184-S187 VanDerWaalsContact O-N 3.15Å; S187-M189 PolarHBondContact O-N 3.25Å; S187-L190 WeakPolarHBondContact O-CB 3.08Å; S187-L190 PolarHBondContact O-N 3.22Å |
| 188 | D | 92.6 | Very high | 95.1 | Very high | 134 Ų | 134 | 46.1 Ų | 46.1 | 72% | 0.717 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -30.4 | 176.9 | -79.7 | -12.8 | 0 | 0 | 0 | 113.3 | D184 L190 | D184-D188 PolarHBondContact O-N 3.48Å; D188-L190 VanDerWaalsContact C-N 3.33Å |
| 189 | M | 92.2 | Very high | 95.1 | Very high | 42 Ų | 42 | 48.7 Ų | 48.7 | 21% | 0.207 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -20.3 | 175.9 | -58.7 | 178.8 | 74 | 0 | 0 | 113.1 | L186 S187 F303 F306 I333 | L186-M189 HydrophobicContact CD2-SD 4.49Å; L186-M189 PolarHBondContact O-N 2.98Å; S187-M189 PolarHBondContact O-N 3.25Å; M189-F303 HydrophobicContact CB-CD2 4.23Å; M189-F303 HydrophobicContact CE-CD2 4.1Å; M189-F303 HydrophobicContact CE-CE2 4.36Å; M189-F303 PolarHBondContact O-N 3.37Å; M189-F303 HydrophobicContact SD-CD2 4.36Å; M189-F306 HydrophobicContact CE-CB 4.23Å; M189-F306 HydrophobicContact CE-CD2 4.15Å; M189-I333 HydrophobicContact CE-CD1 3.73Å; M189-I333 HydrophobicContact CG-CD1 4.34Å; M189-I333 HydrophobicContact SD-CD1 3.29Å; M189-I333 WeakPolarHBondContact SD-CD1 3.48Å; M189-I333 HydrophobicContact SD-CG1 3.98Å; M189-I333 HydrophobicContact SD-CG2 4.06Å |
| 190 | L | 95.2 | Very high | 95.1 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | trans | -87.6 | 128.6 | -167.2 | -170.4 | 146.5 | 0 | 0 | 0 | 110.8 | L177 F180 L186 S187 D188 E195 L198 | L177-L190 HydrophobicContact CD1-CD1 3.82Å; F180-L190 HydrophobicContact CB-CD1 4.1Å; F180-L190 HydrophobicContact CD1-CD1 4.47Å; L186-L190 PolarHBondContact O-N 3.33Å; S187-L190 WeakPolarHBondContact O-CB 3.08Å; S187-L190 PolarHBondContact O-N 3.22Å; D188-L190 VanDerWaalsContact C-N 3.33Å; L190-E195 HydrophobicContact CD2-CG 3.66Å; L190-L198 HydrophobicContact CD1-CD1 3.37Å; L190-L198 HydrophobicContact CG-CD1 4.19Å | ||
| 191 | Q | 96.6 | Very high | 95.2 | Very high | 57 Ų | 57 | 51.2 Ų | 51.2 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | trans | -106.5 | 155.6 | 176.3 | -54.1 | -63.6 | -59.9 | 0 | 0 | 111.1 | H193 D194 | Q191-H193 WeakPolarHBondContact CB-CE1 3.42Å; Q191-H193 PolarHBondContact O-N 3.04Å; Q191-D194 WeakPolarHBondContact CB-OD2 3.45Å; Q191-D194 PolarHBondContact N-OD2 2.88Å; Q191-D194 WeakPolarHBondContact O-CB 3.19Å; Q191-D194 PolarHBondContact O-N 2.91Å | ||
| 192 | E | 96.2 | Very high | 95.2 | Very high | 171 Ų | 171 | 50.8 Ų | 50.8 | 80% | 0.799 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -31.7 | -179.9 | -66.6 | -175.5 | 168 | 0 | 0 | 113.5 | D194 P196 | E192-D194 VanDerWaalsContact C-N 3.35Å; E192-P196 WeakPolarHBondContact O-CD 3.46Å |
| 193 | H | 95.4 | Very high | 95.4 | Very high | 62 Ų | 62 | 48.6 Ų | 48.6 | 29% | 0.287 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -12.2 | -179.4 | 59.2 | -103.9 | 0 | 0 | 0 | 113.7 | Q191 N300 D301 | Q191-H193 WeakPolarHBondContact CB-CE1 3.42Å; Q191-H193 PolarHBondContact O-N 3.04Å; H193-N300 PolarHBondContact CE1-ND2 3.05Å; H193-N300 PolarHBondContact NE2-ND2 2.84Å; H193-D301 PolarHBondContact CE1-O 3.37Å; H193-D301 PolarHBondContact NE2-O 3.01Å |
| 194 | D | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -31 | 174.6 | -62.2 | -38.4 | 0 | 0 | 0 | 111.3 | Q191 E192 V197 L198 V274 S302 F303 F304 | Q191-D194 WeakPolarHBondContact CB-OD2 3.45Å; Q191-D194 PolarHBondContact N-OD2 2.88Å; Q191-D194 WeakPolarHBondContact O-CB 3.19Å; Q191-D194 PolarHBondContact O-N 2.91Å; E192-D194 VanDerWaalsContact C-N 3.35Å; D194-V197 WeakPolarHBondContact O-CA 3.29Å; D194-V197 WeakPolarHBondContact O-CB 3.27Å; D194-V197 PolarHBondContact O-N 3.28Å; D194-L198 HydrophobicContact CB-CD1 4.47Å; D194-L198 PolarHBondContact O-N 3.47Å; D194-V274 WeakPolarHBondContact OD1-CG2 3.46Å; D194-S302 WeakPolarHBondContact OD1-CB 3.42Å; D194-S302 PolarHBondContact OD1-OG 2.9Å; D194-S302 WeakPolarHBondContact OD2-CA 3.47Å; D194-S302 PolarHBondContact OD2-OG 3.01Å; D194-F303 PolarHBondContact OD2-N 2.87Å; D194-F304 HydrophobicContact CB-CD2 4.4Å; D194-F304 HydrophobicContact CB-CE2 4.04Å; D194-F304 WeakPolarHBondContact OD1-CD2 3.37Å |
| 195 | E | 97.1 | Very high | 96 | Very high | 49 Ų | 49 | 45.3 Ų | 45.3 | 23% | 0.229 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -51.6 | -48.9 | -178.2 | -58.9 | -170.9 | -174 | 0 | 0 | 113.3 | L177 K181 L190 V197 L198 K199 | L177-E195 HydrophobicContact CD1-CB 4.32Å; L177-E195 HydrophobicContact CD1-CG 4.22Å; L177-E195 HydrophobicContact CD2-CB 4.2Å; K181-E195 VanDerWaalsContact CE-CD 3.41Å; K181-E195 WeakPolarHBondContact CE-OE1 3.28Å; K181-E195 IonicContact NZ-OE1 2.88Å; K181-E195 PolarHBondContact NZ-OE1 3.41Å; K181-E195 IonicContact NZ-OE2 2.65Å; K181-E195 PolarHBondContact NZ-OE2 3.2Å; L190-E195 HydrophobicContact CD2-CG 3.66Å; E195-V197 PolarHBondContact O-N 2.97Å; E195-V197 VanDerWaalsContact O-N 3.13Å; E195-L198 PolarHBondContact O-N 3.41Å; E195-L198 VanDerWaalsContact O-N 3.12Å; E195-K199 WeakPolarHBondContact O-CG 3.29Å; E195-K199 PolarHBondContact O-N 2.94Å |
| 196 | P | 97.6 | Very high | 96.2 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 36% | 0.357 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.4 | -25.9 | -179.9 | -22.8 | 36.3 | 0 | 0 | 0 | 113.2 | E192 H200 F228 | E192-P196 WeakPolarHBondContact O-CD 3.46Å; P196-H200 PolarHBondContact O-CD2 2.89Å; P196-H200 VanDerWaalsContact O-CD2 3.31Å; P196-F228 HydrophobicContact CB-CE1 4.45Å; P196-F228 HydrophobicContact CB-CE2 4.38Å; P196-F228 HydrophobicContact CB-CZ 3.69Å; P196-F228 WeakPolarHBondContact O-CE2 3.19Å |
| 197 | V | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -78.6 | -44.6 | 176.4 | -164.7 | 0 | 0 | 0 | 0 | 110.2 | D194 E195 K199 H200 F228 F229 V274 F304 | D194-V197 WeakPolarHBondContact O-CA 3.29Å; D194-V197 WeakPolarHBondContact O-CB 3.27Å; D194-V197 PolarHBondContact O-N 3.28Å; E195-V197 PolarHBondContact O-N 2.97Å; E195-V197 VanDerWaalsContact O-N 3.13Å; V197-K199 VanDerWaalsContact C-N 3.27Å; V197-K199 PolarHBondContact O-N 3.19Å; V197-H200 WeakPolarHBondContact O-CB 3.14Å; V197-H200 PolarHBondContact O-N 2.78Å; V197-H200 VanDerWaalsContact O-N 3.12Å; V197-F228 HydrophobicContact CB-CD2 4.32Å; V197-F228 HydrophobicContact CB-CG 4.36Å; V197-F228 HydrophobicContact CG1-CB 4.09Å; V197-F228 HydrophobicContact CG1-CD2 4.19Å; V197-F228 HydrophobicContact CG1-CG 4.12Å; V197-F228 HydrophobicContact CG2-CB 4.39Å; V197-F228 HydrophobicContact CG2-CD1 3.66Å; V197-F228 HydrophobicContact CG2-CD2 4.12Å; V197-F228 HydrophobicContact CG2-CE1 3.88Å; V197-F228 HydrophobicContact CG2-CE2 4.32Å; V197-F228 HydrophobicContact CG2-CG 3.8Å; V197-F228 HydrophobicContact CG2-CZ 4.22Å; V197-F229 HydrophobicContact CG1-CD1 4.21Å; V197-F229 HydrophobicContact CG1-CE1 3.45Å; V197-F229 VanDerWaalsContact CG1-CE1 3.45Å; V197-F229 HydrophobicContact CG1-CZ 4.21Å; V197-V274 HydrophobicContact CG2-CG1 4.12Å; V197-F304 HydrophobicContact CB-CE2 3.63Å; V197-F304 HydrophobicContact CB-CZ 3.53Å; V197-F304 HydrophobicContact CG1-CE1 3.92Å; V197-F304 HydrophobicContact CG1-CE2 3.75Å; V197-F304 HydrophobicContact CG1-CZ 3.24Å; V197-F304 HydrophobicContact CG2-CE2 4.04Å; V197-F304 HydrophobicContact CG2-CZ 4.38Å |
| 198 | L | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.6 | -21.3 | 179.6 | -74.4 | 171 | 0 | 0 | 0 | 113.6 | L177 F180 L190 D194 E195 H200 L201 F303 F304 | L177-L198 HydrophobicContact CB-CB 4.48Å; L177-L198 HydrophobicContact CD1-CB 3.99Å; L177-L198 HydrophobicContact CD1-CD1 4.2Å; F180-L198 HydrophobicContact CD1-CD1 4.36Å; L190-L198 HydrophobicContact CD1-CD1 3.37Å; L190-L198 HydrophobicContact CG-CD1 4.19Å; D194-L198 HydrophobicContact CB-CD1 4.47Å; D194-L198 PolarHBondContact O-N 3.47Å; E195-L198 PolarHBondContact O-N 3.41Å; E195-L198 VanDerWaalsContact O-N 3.12Å; L198-H200 PolarHBondContact O-N 3.42Å; L198-H200 VanDerWaalsContact O-N 3.12Å; L198-L201 HydrophobicContact CD2-CD2 4Å; L198-L201 WeakPolarHBondContact O-CB 3.48Å; L198-L201 PolarHBondContact O-N 3.45Å; L198-F303 HydrophobicContact CD1-CD1 4.42Å; L198-F303 HydrophobicContact CD2-CD1 4.22Å; L198-F303 HydrophobicContact CD2-CE1 4.19Å; L198-F304 HydrophobicContact CD2-CZ 4.25Å; L198-F304 HydrophobicContact CG-CZ 4.24Å |
| 199 | K | 96.5 | Very high | 96.3 | Very high | 93 Ų | 93 | 42.6 Ų | 42.6 | 40% | 0.404 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -23.1 | 168.9 | -71.1 | -179.3 | -167.5 | -136.5 | 0 | 113.4 | E174 L177 E195 V197 | E174-K199 HydrophobicContact CG-CG 4.16Å; E174-K199 WeakPolarHBondContact OE1-CD 3.46Å; E174-K199 VanDerWaalsContact OE1-CE 3.25Å; E174-K199 WeakPolarHBondContact OE1-CE 3.41Å; E174-K199 IonicContact OE1-NZ 2.83Å; E174-K199 PolarHBondContact OE1-NZ 3.45Å; E174-K199 IonicContact OE2-NZ 3.14Å; L177-K199 HydrophobicContact CD2-CG 3.74Å; E195-K199 WeakPolarHBondContact O-CG 3.29Å; E195-K199 PolarHBondContact O-N 2.94Å; V197-K199 VanDerWaalsContact C-N 3.27Å; V197-K199 PolarHBondContact O-N 3.19Å |
| 200 | H | 97.1 | Very high | 96.1 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 19% | 0.19 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -0.7 | 177.3 | -64.3 | -67.5 | 0 | 0 | 0 | 113.7 | P196 V197 L198 Q202 F223 E224 N226 F228 | P196-H200 PolarHBondContact O-CD2 2.89Å; P196-H200 VanDerWaalsContact O-CD2 3.31Å; V197-H200 WeakPolarHBondContact O-CB 3.14Å; V197-H200 PolarHBondContact O-N 2.78Å; V197-H200 VanDerWaalsContact O-N 3.12Å; L198-H200 PolarHBondContact O-N 3.42Å; L198-H200 VanDerWaalsContact O-N 3.12Å; H200-Q202 PolarHBondContact O-N 3.29Å; H200-F223 HydrophobicContact CB-CD1 4.12Å; H200-F223 VanDerWaalsContact O-CA 3.31Å; H200-F223 WeakPolarHBondContact O-CA 3.45Å; H200-E224 HydrophobicContact CB-CG 3.82Å; H200-E224 IonicContact CE1-OE1 2.83Å; H200-E224 IonicContact CG-OE1 2.61Å; H200-E224 IonicContact ND1-OE1 2.71Å; H200-E224 PolarHBondContact ND1-OE1 3.42Å; H200-E224 PolarHBondContact O-N 3.45Å; H200-N226 HydrophobicContact CB-CB 3.96Å; H200-N226 VanDerWaalsContact CD2-CB 3.46Å; H200-N226 WeakPolarHBondContact CD2-CB 3.41Å; H200-N226 VanDerWaalsContact CG-CB 3.49Å; H200-F228 AromaticContact CD2-CD2 3.99Å; H200-F228 AromaticContact CD2-CE2 3.83Å; H200-F228 AromaticContact NE2-CE2 3.81Å |
| 201 | L | 97.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 117.2 | 178.3 | -177.1 | 59.7 | 0 | 0 | 0 | 110.1 | W176 L198 I204 F221 F223 | W176-L201 HydrophobicContact CB-CB 4.4Å; W176-L201 HydrophobicContact CB-CD2 3.66Å; W176-L201 HydrophobicContact CB-CG 3.96Å; W176-L201 HydrophobicContact CG-CD2 4.15Å; W176-L201 HydrophobicContact CG-CG 4.14Å; L198-L201 HydrophobicContact CD2-CD2 4Å; L198-L201 WeakPolarHBondContact O-CB 3.48Å; L198-L201 PolarHBondContact O-N 3.45Å; L201-I204 HydrophobicContact CD1-CG1 4.38Å; L201-I204 HydrophobicContact CD2-CD1 4.07Å; L201-I204 HydrophobicContact CD2-CG1 4.11Å; L201-I204 HydrophobicContact CG-CG1 4.5Å; L201-F221 HydrophobicContact CD1-CB 3.84Å; L201-F221 HydrophobicContact CD1-CD1 4.19Å; L201-F221 HydrophobicContact CD2-CD1 4.23Å; L201-F223 HydrophobicContact CB-CD1 4.2Å; L201-F223 HydrophobicContact CB-CE1 3.83Å; L201-F223 HydrophobicContact CB-CZ 4.33Å; L201-F223 HydrophobicContact CD1-CD1 4.46Å; L201-F223 HydrophobicContact CD1-CD2 4.31Å; L201-F223 HydrophobicContact CD1-CE1 4.12Å; L201-F223 HydrophobicContact CD1-CE2 3.96Å; L201-F223 HydrophobicContact CD1-CZ 3.86Å |
| 202 | Q | 97 | Very high | 95.1 | Very high | 68 Ų | 68 | 50.9 Ų | 50.9 | 32% | 0.318 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -39 | -177.1 | -65.1 | -170.7 | -38.8 | 0 | 0 | 112.7 | T123 W176 H200 H222 E224 | T123-Q202 HydrophobicContact CG2-CB 3.89Å; T123-Q202 HydrophobicContact CG2-CG 4.1Å; W176-Q202 PolarHBondContact NE1-O 3.26Å; H200-Q202 PolarHBondContact O-N 3.29Å; Q202-H222 PolarHBondContact N-O 3.18Å; Q202-E224 HydrophobicContact CG-CB 4.05Å |
| 203 | D | 98.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 153.1 | -177.1 | -161.2 | 24.9 | 0 | 0 | 0 | 112.6 | R118 W176 K205 H222 | R118-D203 IonicContact CZ-OD1 2.61Å; R118-D203 IonicContact NH2-OD1 2.9Å; R118-D203 PolarHBondContact NH2-OD1 3.3Å; W176-D203 WeakPolarHBondContact CZ2-OD1 3.48Å; W176-D203 VanDerWaalsContact NE1-CA 3.33Å; D203-K205 WeakPolarHBondContact OD2-CE 3.34Å; D203-K205 VanDerWaalsContact OD2-CG 3.3Å; D203-K205 WeakPolarHBondContact OD2-CG 3.22Å; D203-K205 IonicContact OD2-NZ 3.91Å; D203-H222 HydrophobicContact CB-CB 4.31Å; D203-H222 PolarHBondContact N-O 2.9Å; D203-H222 PolarHBondContact O-N 3.04Å |
| 204 | I | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 119.1 | 169.5 | -53.7 | 178.3 | 0 | 0 | 0 | 107.8 | W176 F180 L201 E220 F221 I337 V342 | W176-I204 HydrophobicContact CD2-CD1 4.01Å; W176-I204 HydrophobicContact CD2-CG1 3.96Å; W176-I204 HydrophobicContact CE3-CB 4.48Å; W176-I204 HydrophobicContact CE3-CD1 3.54Å; W176-I204 HydrophobicContact CE3-CG1 3.92Å; W176-I204 HydrophobicContact CH2-CB 4.03Å; W176-I204 HydrophobicContact CH2-CG1 4.33Å; W176-I204 HydrophobicContact CZ2-CB 4.24Å; W176-I204 HydrophobicContact CZ2-CG1 4.39Å; W176-I204 HydrophobicContact CZ3-CB 4.17Å; W176-I204 HydrophobicContact CZ3-CD1 3.84Å; W176-I204 HydrophobicContact CZ3-CG1 4.11Å; F180-I204 HydrophobicContact CE2-CD1 3.61Å; F180-I204 HydrophobicContact CZ-CD1 3.98Å; L201-I204 HydrophobicContact CD1-CG1 4.38Å; L201-I204 HydrophobicContact CD2-CD1 4.07Å; L201-I204 HydrophobicContact CD2-CG1 4.11Å; L201-I204 HydrophobicContact CG-CG1 4.5Å; I204-E220 CarbonylContact C-O 3.53Å; I204-E220 WeakPolarHBondContact CA-O 3.25Å; I204-F221 HydrophobicContact CD1-CD1 3.94Å; I204-F221 HydrophobicContact CD1-CE1 3.75Å; I204-F221 HydrophobicContact CG1-CD1 3.88Å; I204-F221 HydrophobicContact CG1-CE1 4.14Å; I204-F221 HydrophobicContact CG2-CD1 4.45Å; I204-F221 HydrophobicContact CG2-CE1 4.3Å; I204-F221 HydrophobicContact CG2-CZ 4.44Å; I204-I337 HydrophobicContact CG2-CG2 4.07Å; I204-V342 HydrophobicContact CB-CG2 4.1Å; I204-V342 HydrophobicContact CG2-CG2 3.71Å |
| 205 | K | 97.1 | Very high | 93.9 | Very high | 42 Ų | 42 | 50.5 Ų | 50.5 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 145.5 | -179.9 | -59.1 | -167.4 | 177.7 | -162.6 | 0 | 111.1 | D116 D203 L219 E220 | D116-K205 IonicContact OD1-NZ 2.67Å; D116-K205 PolarHBondContact OD1-NZ 3.5Å; D203-K205 WeakPolarHBondContact OD2-CE 3.34Å; D203-K205 VanDerWaalsContact OD2-CG 3.3Å; D203-K205 WeakPolarHBondContact OD2-CG 3.22Å; D203-K205 IonicContact OD2-NZ 3.91Å; K205-L219 CarbonylContact O-C 3.57Å; K205-L219 WeakPolarHBondContact O-CA 3.42Å; K205-E220 HydrophobicContact CB-CB 4.35Å; K205-E220 PolarHBondContact N-O 2.81Å; K205-E220 PolarHBondContact O-N 3.45Å |
| 206 | V | 96.6 | Very high | 93.7 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125 | 169.8 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | F208 F217 T218 L219 R338 V342 | V206-F208 HydrophobicContact CG1-CE2 4.08Å; V206-F208 HydrophobicContact CG1-CZ 4.09Å; V206-F217 HydrophobicContact CG1-CB 4.35Å; V206-F217 HydrophobicContact CG1-CD2 4.48Å; V206-T218 WeakPolarHBondContact CA-O 3.47Å; V206-L219 HydrophobicContact CG2-CD2 3.89Å; V206-R338 HydrophobicContact CG1-CG 4Å; V206-R338 HydrophobicContact CG2-CB 4.32Å; V206-R338 HydrophobicContact CG2-CG 4.39Å; V206-V342 HydrophobicContact CG2-CB 4.07Å; V206-V342 HydrophobicContact CG2-CG1 4.08Å; V206-V342 HydrophobicContact CG2-CG2 3.99Å |
| 207 | K | 94.4 | Very high | 93.6 | Very high | 100 Ų | 100 | 46.5 Ų | 46.5 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126 | 172.7 | -69.2 | -173.9 | -179.5 | 164.7 | 0 | 110.3 | F217 T218 E220 | K207-F217 CarbonylContact O-C 3.57Å; K207-F217 WeakPolarHBondContact O-CA 3.38Å; K207-T218 PolarHBondContact N-O 3.45Å; K207-T218 PolarHBondContact O-N 2.96Å; K207-E220 WeakPolarHBondContact CD-OE1 3.36Å; K207-E220 VanDerWaalsContact CE-CD 3.45Å; K207-E220 WeakPolarHBondContact CE-OE1 3.4Å; K207-E220 WeakPolarHBondContact CE-OE2 3.46Å; K207-E220 IonicContact NZ-OE1 3.91Å; K207-E220 PolarHBondContact NZ-OE1 2.81Å; K207-E220 IonicContact NZ-OE2 3.99Å; K207-E220 PolarHBondContact NZ-OE2 3.21Å |
| 208 | F | 93.8 | Very high | 93.5 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 156.4 | 173.5 | -62.7 | -82.4 | 0 | 0 | 0 | 111.1 | H101 E104 R105 A108 V206 F217 | H101-F208 AromaticContact CE1-CD1 3.72Å; E104-F208 HydrophobicContact CB-CZ 4.46Å; R105-F208 HydrophobicContact CG-CB 3.75Å; R105-F208 HydrophobicContact CG-CG 4.18Å; A108-F208 HydrophobicContact CB-CD2 3.69Å; A108-F208 HydrophobicContact CB-CE2 3.53Å; V206-F208 HydrophobicContact CG1-CE2 4.08Å; V206-F208 HydrophobicContact CG1-CZ 4.09Å; F208-F217 HydrophobicContact CD1-CB 4.08Å; F208-F217 HydrophobicContact CE1-CB 4.35Å |
| 209 | S | 92.3 | Very high | 93.4 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 149.4 | 169.1 | 42.2 | 0 | 0 | 0 | 0 | 112.6 | R105 P214 S216 | R105-S209 WeakPolarHBondContact CD-O 3.18Å; S209-P214 WeakPolarHBondContact CB-O 3.49Å; S209-P214 PolarHBondContact OG-O 2.87Å; S209-S216 WeakPolarHBondContact CB-OG 3.42Å; S209-S216 PolarHBondContact N-O 3.12Å; S209-S216 PolarHBondContact OG-N 2.58Å; S209-S216 VanDerWaalsContact OG-N 3.08Å; S209-S216 PolarHBondContact OG-O 2.76Å |
| 210 | D | 89.7 | Confident | 93.4 | Very high | 100 Ų | 100 | 44.7 Ų | 44.7 | 54% | 0.535 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 154 | 176.4 | -65.2 | -52.8 | 0 | 0 | 0 | 111.7 | G212 Q213 | D210-G212 PolarHBondContact O-N 3.31Å; D210-Q213 HydrophobicContact CB-CG 4.25Å; D210-Q213 WeakPolarHBondContact O-CB 3.17Å; D210-Q213 PolarHBondContact O-N 3.24Å; D210-Q213 PolarHBondContact OD2-NE2 3Å |
| 211 | P | 87.1 | Confident | 93.5 | Very high | 106 Ų | 106 | 42.8 Ų | 42.8 | 69% | 0.688 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 128.5 | 173.2 | -25.8 | 34.6 | 0 | 0 | 0 | 112.2 | ||
| 212 | G | 82.8 | Confident | 93.5 | Very high | 87 Ų | 87 | 44.3 Ų | 44.3 | 90% | 0.897 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -0.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D210 | D210-G212 PolarHBondContact O-N 3.31Š|
| 213 | Q | 86.9 | Confident | 93.5 | Very high | 103 Ų | 103 | 41.3 Ų | 41.3 | 48% | 0.481 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -90.5 | 159.4 | 166 | -67.3 | 178.5 | 3.9 | 0 | 0 | 110.9 | D210 | D210-Q213 HydrophobicContact CB-CG 4.25Å; D210-Q213 WeakPolarHBondContact O-CB 3.17Å; D210-Q213 PolarHBondContact O-N 3.24Å; D210-Q213 PolarHBondContact OD2-NE2 3Å |
| 214 | P | 87.3 | Confident | 93.4 | Very high | 102 Ų | 102 | 44.8 Ų | 44.8 | 66% | 0.662 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 140.6 | 173 | -23.4 | 33.8 | 0 | 0 | 0 | 111.7 | S209 S216 | S209-P214 WeakPolarHBondContact CB-O 3.49Å; S209-P214 PolarHBondContact OG-O 2.87Å; P214-S216 PolarHBondContact O-N 3.15Å; P214-S216 VanDerWaalsContact O-N 3.11Å; P214-S216 PolarHBondContact O-OG 2.94Å |
| 215 | M | 90.8 | Very high | 93.3 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -53.1 | 117.7 | -179.7 | -171.8 | -176.8 | -61.6 | 0 | 0 | 110.3 | H101 M240 P255 | H101-M215 HydrophobicContact CB-CE 3.51Å; H101-M215 HydrophobicContact CB-SD 4.21Å; M215-M240 HydrophobicContact CB-CB 4.16Å; M215-M240 HydrophobicContact CG-CB 3.77Å; M215-M240 HydrophobicContact CG-CG 4.5Å; M215-M240 HydrophobicContact CG-SD 4.24Å; M215-M240 PolarHBondContact O-N 3.49Å; M215-M240 HydrophobicContact SD-CB 3.73Å; M215-M240 HydrophobicContact SD-CE 4.22Å; M215-M240 HydrophobicContact SD-SD 4.15Å; M215-P255 HydrophobicContact SD-CB 4.18Å |
| 216 | S | 92.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 50 Ų | 50 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 160.4 | 173.4 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | S209 P214 Y238 | S209-S216 WeakPolarHBondContact CB-OG 3.42Å; S209-S216 PolarHBondContact N-O 3.12Å; S209-S216 PolarHBondContact OG-N 2.58Å; S209-S216 VanDerWaalsContact OG-N 3.08Å; S209-S216 PolarHBondContact OG-O 2.76Å; P214-S216 PolarHBondContact O-N 3.15Å; P214-S216 VanDerWaalsContact O-N 3.11Å; P214-S216 PolarHBondContact O-OG 2.94Å; S216-Y238 CarbonylContact C-O 3.24Å; S216-Y238 WeakPolarHBondContact CA-O 3.43Å; S216-Y238 WeakPolarHBondContact CB-O 3.38Å |
| 217 | F | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 149.4 | 168.4 | 69.3 | -85.2 | 0 | 0 | 0 | 110.5 | V206 K207 F208 L219 T237 Y238 M240 I257 R338 | V206-F217 HydrophobicContact CG1-CB 4.35Å; V206-F217 HydrophobicContact CG1-CD2 4.48Å; K207-F217 CarbonylContact O-C 3.57Å; K207-F217 WeakPolarHBondContact O-CA 3.38Å; F208-F217 HydrophobicContact CD1-CB 4.08Å; F208-F217 HydrophobicContact CE1-CB 4.35Å; F217-L219 HydrophobicContact CD2-CD2 4.11Å; F217-L219 HydrophobicContact CD2-CG 4.33Å; F217-L219 HydrophobicContact CE2-CD2 4.07Å; F217-L219 HydrophobicContact CE2-CG 4.12Å; F217-T237 CarbonylContact O-C 3.58Å; F217-T237 WeakPolarHBondContact O-CA 3.38Å; F217-Y238 HydrophobicContact CD2-CD2 4.17Å; F217-Y238 HydrophobicContact CE1-CD2 4.27Å; F217-Y238 HydrophobicContact CE1-CG 4.17Å; F217-Y238 AromaticContact CE2-CD2 3.43Å; F217-Y238 HydrophobicContact CE2-CD2 3.43Å; F217-Y238 VanDerWaalsContact CE2-CD2 3.43Å; F217-Y238 HydrophobicContact CE2-CE2 4.11Å; F217-Y238 HydrophobicContact CE2-CG 4.15Å; F217-Y238 AromaticContact CZ-CD2 3.5Å; F217-Y238 HydrophobicContact CZ-CD2 3.5Å; F217-Y238 VanDerWaalsContact CZ-CD2 3.5Å; F217-Y238 HydrophobicContact CZ-CE2 4.29Å; F217-Y238 AromaticContact CZ-CG 3.75Å; F217-Y238 HydrophobicContact CZ-CG 3.75Å; F217-Y238 PolarHBondContact N-O 2.95Å; F217-Y238 PolarHBondContact O-N 3.25Å; F217-M240 HydrophobicContact CD1-CG 4.3Å; F217-M240 HydrophobicContact CD1-SD 3.59Å; F217-M240 VanDerWaalsContact CD1-SD 3.59Å; F217-M240 HydrophobicContact CE1-CG 4.28Å; F217-M240 HydrophobicContact CE1-SD 3.75Å; F217-I257 HydrophobicContact CE1-CD1 4.07Å; F217-I257 HydrophobicContact CE1-CG1 4.32Å; F217-I257 HydrophobicContact CZ-CD1 4.01Å; F217-R338 HydrophobicContact CD2-CB 4.22Å; F217-R338 HydrophobicContact CD2-CG 4.32Å; F217-R338 HydrophobicContact CE2-CB 3.9Å; F217-R338 HydrophobicContact CE2-CG 4.38Å; F217-R338 HydrophobicContact CZ-CB 4.46Å |
| 218 | T | 95.1 | Very high | 93.5 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 17% | 0.172 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.6 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 108.8 | V206 K207 E220 K236 T237 | V206-T218 WeakPolarHBondContact CA-O 3.47Å; K207-T218 PolarHBondContact N-O 3.45Å; K207-T218 PolarHBondContact O-N 2.96Å; T218-E220 HydrophobicContact CG2-CG 4.09Å; T218-K236 CarbonylContact C-O 3.43Å; T218-K236 VanDerWaalsContact CA-O 3.31Å; T218-K236 WeakPolarHBondContact CA-O 3.48Å; T218-T237 WeakPolarHBondContact CG2-OG1 3.12Å; T218-T237 WeakPolarHBondContact OG1-CG2 3.38Å; T218-T237 PolarHBondContact OG1-OG1 3.29Å |
| 219 | L | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124.8 | 165.6 | -57.6 | -178.6 | 0 | 0 | 0 | 108.3 | K205 V206 F217 F221 S235 K236 Y238 F306 I337 R338 | K205-L219 CarbonylContact O-C 3.57Å; K205-L219 WeakPolarHBondContact O-CA 3.42Å; V206-L219 HydrophobicContact CG2-CD2 3.89Å; F217-L219 HydrophobicContact CD2-CD2 4.11Å; F217-L219 HydrophobicContact CD2-CG 4.33Å; F217-L219 HydrophobicContact CE2-CD2 4.07Å; F217-L219 HydrophobicContact CE2-CG 4.12Å; L219-F221 HydrophobicContact CB-CD2 4.45Å; L219-F221 HydrophobicContact CB-CE2 3.74Å; L219-F221 HydrophobicContact CD1-CE2 4.48Å; L219-S235 CarbonylContact O-C 3.58Å; L219-S235 WeakPolarHBondContact O-CA 3.39Å; L219-K236 PolarHBondContact N-O 3.28Å; L219-K236 PolarHBondContact O-N 3.15Å; L219-Y238 HydrophobicContact CD1-CE2 4.02Å; L219-Y238 HydrophobicContact CG-CE2 4.41Å; L219-F306 HydrophobicContact CD1-CE1 4.46Å; L219-F306 HydrophobicContact CD1-CZ 4.18Å; L219-I337 HydrophobicContact CD1-CB 4.02Å; L219-I337 HydrophobicContact CD1-CD1 4.24Å; L219-I337 HydrophobicContact CD1-CG2 3.95Å; L219-I337 HydrophobicContact CD2-CG2 4.04Å; L219-R338 HydrophobicContact CD2-CB 4.26Å |
| 220 | E | 96.7 | Very high | 93.9 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.7 | 175.3 | -67.6 | -173.6 | 165.7 | 0 | 0 | 110.3 | I204 K205 K207 T218 H222 V233 | I204-E220 CarbonylContact C-O 3.53Å; I204-E220 WeakPolarHBondContact CA-O 3.25Å; K205-E220 HydrophobicContact CB-CB 4.35Å; K205-E220 PolarHBondContact N-O 2.81Å; K205-E220 PolarHBondContact O-N 3.45Å; K207-E220 WeakPolarHBondContact CD-OE1 3.36Å; K207-E220 VanDerWaalsContact CE-CD 3.45Å; K207-E220 WeakPolarHBondContact CE-OE1 3.4Å; K207-E220 WeakPolarHBondContact CE-OE2 3.46Å; K207-E220 IonicContact NZ-OE1 3.91Å; K207-E220 PolarHBondContact NZ-OE1 2.81Å; K207-E220 IonicContact NZ-OE2 3.99Å; K207-E220 PolarHBondContact NZ-OE2 3.21Å; T218-E220 HydrophobicContact CG2-CG 4.09Å; E220-H222 WeakPolarHBondContact CB-NE2 3.42Å; E220-H222 PolarHBondContact O-CD2 3.17Å; E220-H222 IonicContact OE2-CE1 2.68Å; E220-H222 IonicContact OE2-NE2 3.05Å; E220-H222 PolarHBondContact OE2-NE2 2.97Å; E220-H222 VanDerWaalsContact OE2-NE2 3.14Å; E220-V233 HydrophobicContact CB-CG1 3.82Å; E220-V233 HydrophobicContact CG-CG1 4.13Å |
| 221 | F | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 109.5 | 177.7 | -63.3 | -106.3 | 0 | 0 | 0 | 108.2 | F180 L201 I204 L219 F223 V233 L234 F303 F306 F307 I337 | F180-F221 HydrophobicContact CZ-CE1 4.08Å; L201-F221 HydrophobicContact CD1-CB 3.84Å; L201-F221 HydrophobicContact CD1-CD1 4.19Å; L201-F221 HydrophobicContact CD2-CD1 4.23Å; I204-F221 HydrophobicContact CD1-CD1 3.94Å; I204-F221 HydrophobicContact CD1-CE1 3.75Å; I204-F221 HydrophobicContact CG1-CD1 3.88Å; I204-F221 HydrophobicContact CG1-CE1 4.14Å; I204-F221 HydrophobicContact CG2-CD1 4.45Å; I204-F221 HydrophobicContact CG2-CE1 4.3Å; I204-F221 HydrophobicContact CG2-CZ 4.44Å; L219-F221 HydrophobicContact CB-CD2 4.45Å; L219-F221 HydrophobicContact CB-CE2 3.74Å; L219-F221 HydrophobicContact CD1-CE2 4.48Å; F221-F223 HydrophobicContact CB-CD2 4.41Å; F221-F223 HydrophobicContact CB-CE2 3.71Å; F221-F223 HydrophobicContact CB-CZ 4.47Å; F221-F223 WeakPolarHBondContact O-CD2 3.34Å; F221-V233 CarbonylContact O-C 3.55Å; F221-V233 VanDerWaalsContact O-CA 3.27Å; F221-V233 WeakPolarHBondContact O-CA 3.46Å; F221-L234 HydrophobicContact CB-CB 4.33Å; F221-L234 PolarHBondContact N-O 3.05Å; F221-L234 PolarHBondContact O-N 3.42Å; F221-F303 HydrophobicContact CE1-CZ 4.19Å; F221-F306 AromaticContact CE2-CE1 3.99Å; F221-F306 HydrophobicContact CE2-CE1 3.99Å; F221-F306 HydrophobicContact CZ-CD1 4.46Å; F221-F306 AromaticContact CZ-CE1 3.9Å; F221-F306 HydrophobicContact CZ-CE1 3.9Å; F221-F307 HydrophobicContact CB-CZ 4.24Å; F221-F307 HydrophobicContact CD1-CZ 4.21Å; F221-F307 AromaticContact CD2-CE1 3.52Å; F221-F307 HydrophobicContact CD2-CE1 3.52Å; F221-F307 AromaticContact CD2-CZ 3.5Å; F221-F307 HydrophobicContact CD2-CZ 3.5Å; F221-F307 HydrophobicContact CE1-CZ 4.45Å; F221-F307 AromaticContact CE2-CE1 3.77Å; F221-F307 HydrophobicContact CE2-CE1 3.77Å; F221-F307 AromaticContact CE2-CZ 3.8Å; F221-F307 HydrophobicContact CE2-CZ 3.8Å; F221-F307 HydrophobicContact CG-CE1 4.2Å; F221-F307 AromaticContact CG-CZ 3.74Å; F221-F307 HydrophobicContact CG-CZ 3.74Å; F221-F307 HydrophobicContact CZ-CZ 4.26Å; F221-I337 HydrophobicContact CZ-CD1 4.17Å |
| 222 | H | 98 | Very high | 94.7 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.9 | -174.7 | -69.3 | -101.5 | 0 | 0 | 0 | 109.8 | Q202 D203 E220 T232 V233 | Q202-H222 PolarHBondContact N-O 3.18Å; D203-H222 HydrophobicContact CB-CB 4.31Å; D203-H222 PolarHBondContact N-O 2.9Å; D203-H222 PolarHBondContact O-N 3.04Å; E220-H222 WeakPolarHBondContact CB-NE2 3.42Å; E220-H222 PolarHBondContact O-CD2 3.17Å; E220-H222 IonicContact OE2-CE1 2.68Å; E220-H222 IonicContact OE2-NE2 3.05Å; E220-H222 PolarHBondContact OE2-NE2 2.97Å; E220-H222 VanDerWaalsContact OE2-NE2 3.14Å; H222-T232 WeakPolarHBondContact CA-O 3.33Å; H222-V233 WeakPolarHBondContact ND1-CG2 3.5Å |
| 223 | F | 97.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 141.8 | -179.7 | -70.2 | -93.2 | 0 | 0 | 0 | 111.1 | H200 L201 F221 F229 T232 L234 F304 | H200-F223 HydrophobicContact CB-CD1 4.12Å; H200-F223 VanDerWaalsContact O-CA 3.31Å; H200-F223 WeakPolarHBondContact O-CA 3.45Å; L201-F223 HydrophobicContact CB-CD1 4.2Å; L201-F223 HydrophobicContact CB-CE1 3.83Å; L201-F223 HydrophobicContact CB-CZ 4.33Å; L201-F223 HydrophobicContact CD1-CD1 4.46Å; L201-F223 HydrophobicContact CD1-CD2 4.31Å; L201-F223 HydrophobicContact CD1-CE1 4.12Å; L201-F223 HydrophobicContact CD1-CE2 3.96Å; L201-F223 HydrophobicContact CD1-CZ 3.86Å; F221-F223 HydrophobicContact CB-CD2 4.41Å; F221-F223 HydrophobicContact CB-CE2 3.71Å; F221-F223 HydrophobicContact CB-CZ 4.47Å; F221-F223 WeakPolarHBondContact O-CD2 3.34Å; F223-F229 HydrophobicContact CB-CE2 3.98Å; F223-F229 HydrophobicContact CB-CZ 4.22Å; F223-F229 HydrophobicContact CD1-CE2 4.33Å; F223-F229 AromaticContact CD1-CZ 3.7Å; F223-F229 HydrophobicContact CD1-CZ 3.7Å; F223-F229 AromaticContact CD2-CE2 3.98Å; F223-F229 HydrophobicContact CD2-CE2 3.98Å; F223-F229 AromaticContact CD2-CZ 3.73Å; F223-F229 HydrophobicContact CD2-CZ 3.73Å; F223-F229 AromaticContact CE1-CZ 3.91Å; F223-F229 HydrophobicContact CE1-CZ 3.91Å; F223-F229 AromaticContact CE2-CZ 3.93Å; F223-F229 HydrophobicContact CE2-CZ 3.93Å; F223-F229 AromaticContact CG-CE2 3.84Å; F223-F229 HydrophobicContact CG-CE2 3.84Å; F223-F229 AromaticContact CG-CZ 3.6Å; F223-F229 HydrophobicContact CG-CZ 3.6Å; F223-F229 HydrophobicContact CZ-CZ 4.02Å; F223-T232 PolarHBondContact N-O 3.17Å; F223-L234 HydrophobicContact CD2-CD1 4.41Å; F223-L234 HydrophobicContact CD2-CG 4.19Å; F223-L234 HydrophobicContact CE2-CB 4.31Å; F223-L234 HydrophobicContact CE2-CD1 3.74Å; F223-L234 HydrophobicContact CE2-CG 3.88Å; F223-L234 HydrophobicContact CZ-CD1 4.32Å; F223-F304 HydrophobicContact CZ-CE1 4.04Å; F223-F304 HydrophobicContact CZ-CZ 4.47Å |
| 224 | E | 96.1 | Very high | 95.8 | Very high | 74 Ų | 74 | 41.6 Ų | 41.6 | 35% | 0.346 | 24% | 0.236 | S | C | . | . | trans | -69.5 | 160.4 | 165.8 | 73.8 | 177.2 | 173.2 | 0 | 0 | 111.3 | H200 Q202 N226 | H200-E224 HydrophobicContact CB-CG 3.82Å; H200-E224 IonicContact CE1-OE1 2.83Å; H200-E224 IonicContact CG-OE1 2.61Å; H200-E224 IonicContact ND1-OE1 2.71Å; H200-E224 PolarHBondContact ND1-OE1 3.42Å; H200-E224 PolarHBondContact O-N 3.45Å; Q202-E224 HydrophobicContact CG-CB 4.05Å; E224-N226 PolarHBondContact O-N 3.29Å; E224-N226 PolarHBondContact O-ND2 2.89Å | ||
| 225 | P | 97 | Very high | 96.1 | Very high | 126 Ų | 126 | 38.6 Ų | 38.6 | 82% | 0.818 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -53.9 | 117.5 | 172.9 | -25.2 | 35.2 | 0 | 0 | 0 | 111.3 | ||
| 226 | N | 96.4 | Very high | 96.2 | Very high | 27 Ų | 27 | 37.8 Ų | 37.8 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | trans | -131.5 | 171.6 | -173.6 | 66.1 | 78.8 | 0 | 0 | 0 | 111.8 | H200 E224 F228 F229 | H200-N226 HydrophobicContact CB-CB 3.96Å; H200-N226 VanDerWaalsContact CD2-CB 3.46Å; H200-N226 WeakPolarHBondContact CD2-CB 3.41Å; H200-N226 VanDerWaalsContact CG-CB 3.49Å; E224-N226 PolarHBondContact O-N 3.29Å; E224-N226 PolarHBondContact O-ND2 2.89Å; N226-F228 HydrophobicContact CB-CD2 4.36Å; N226-F228 WeakPolarHBondContact OD1-CA 3.41Å; N226-F228 WeakPolarHBondContact OD1-CB 3.22Å; N226-F228 PolarHBondContact OD1-N 3.06Å; N226-F229 PolarHBondContact OD1-N 3.4Å; N226-F229 VanDerWaalsContact OD1-N 3.09Å; N226-F229 PolarHBondContact OD1-O 3.33Å | ||
| 227 | E | 97.3 | Very high | 96.2 | Very high | 109 Ų | 109 | 38.2 Ų | 38.2 | 51% | 0.509 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -85.3 | -8.5 | -179 | 61.4 | 161.7 | -171.2 | 0 | 0 | 114.2 | T269 K272 | E227-T269 WeakPolarHBondContact O-CB 3.32Å; E227-T269 WeakPolarHBondContact O-CG2 3.46Å; E227-T269 PolarHBondContact O-OG1 3.02Å; E227-K272 IonicContact OE1-NZ 2.88Å; E227-K272 PolarHBondContact OE1-NZ 3.06Å; E227-K272 WeakPolarHBondContact OE2-CE 3.45Å; E227-K272 IonicContact OE2-NZ 2.74Å; E227-K272 PolarHBondContact OE2-NZ 3.41Å |
| 228 | F | 97.5 | Very high | 96.1 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -89.1 | -43 | -170.1 | -59.8 | -85.7 | 0 | 0 | 0 | 113.1 | P196 V197 H200 N226 W268 T269 K272 | P196-F228 HydrophobicContact CB-CE1 4.45Å; P196-F228 HydrophobicContact CB-CE2 4.38Å; P196-F228 HydrophobicContact CB-CZ 3.69Å; P196-F228 WeakPolarHBondContact O-CE2 3.19Å; V197-F228 HydrophobicContact CB-CD2 4.32Å; V197-F228 HydrophobicContact CB-CG 4.36Å; V197-F228 HydrophobicContact CG1-CB 4.09Å; V197-F228 HydrophobicContact CG1-CD2 4.19Å; V197-F228 HydrophobicContact CG1-CG 4.12Å; V197-F228 HydrophobicContact CG2-CB 4.39Å; V197-F228 HydrophobicContact CG2-CD1 3.66Å; V197-F228 HydrophobicContact CG2-CD2 4.12Å; V197-F228 HydrophobicContact CG2-CE1 3.88Å; V197-F228 HydrophobicContact CG2-CE2 4.32Å; V197-F228 HydrophobicContact CG2-CG 3.8Å; V197-F228 HydrophobicContact CG2-CZ 4.22Å; H200-F228 AromaticContact CD2-CD2 3.99Å; H200-F228 AromaticContact CD2-CE2 3.83Å; H200-F228 AromaticContact NE2-CE2 3.81Å; N226-F228 HydrophobicContact CB-CD2 4.36Å; N226-F228 WeakPolarHBondContact OD1-CA 3.41Å; N226-F228 WeakPolarHBondContact OD1-CB 3.22Å; N226-F228 PolarHBondContact OD1-N 3.06Å; F228-W268 HydrophobicContact CB-CE3 4.4Å; F228-W268 HydrophobicContact CB-CZ3 4.11Å; F228-W268 CarbonylContact O-C 3.54Å; F228-W268 WeakPolarHBondContact O-CA 3.15Å; F228-T269 PolarHBondContact O-N 3.39Å; F228-T269 PolarHBondContact O-OG1 3.34Å; F228-K272 HydrophobicContact CB-CB 4.44Å; F228-K272 HydrophobicContact CD1-CB 4.1Å; F228-K272 HydrophobicContact CD1-CD 4.08Å; F228-K272 HydrophobicContact CD1-CG 4.49Å; F228-K272 HydrophobicContact CE1-CD 4.26Å |
| 229 | F | 97.5 | Very high | 96 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -148.8 | 163.9 | 177.2 | 51.5 | -108 | 0 | 0 | 0 | 111.3 | V197 F223 N226 N231 L234 I266 D267 W268 F304 | V197-F229 HydrophobicContact CG1-CD1 4.21Å; V197-F229 HydrophobicContact CG1-CE1 3.45Å; V197-F229 VanDerWaalsContact CG1-CE1 3.45Å; V197-F229 HydrophobicContact CG1-CZ 4.21Å; F223-F229 HydrophobicContact CB-CE2 3.98Å; F223-F229 HydrophobicContact CB-CZ 4.22Å; F223-F229 HydrophobicContact CD1-CE2 4.33Å; F223-F229 AromaticContact CD1-CZ 3.7Å; F223-F229 HydrophobicContact CD1-CZ 3.7Å; F223-F229 AromaticContact CD2-CE2 3.98Å; F223-F229 HydrophobicContact CD2-CE2 3.98Å; F223-F229 AromaticContact CD2-CZ 3.73Å; F223-F229 HydrophobicContact CD2-CZ 3.73Å; F223-F229 AromaticContact CE1-CZ 3.91Å; F223-F229 HydrophobicContact CE1-CZ 3.91Å; F223-F229 AromaticContact CE2-CZ 3.93Å; F223-F229 HydrophobicContact CE2-CZ 3.93Å; F223-F229 AromaticContact CG-CE2 3.84Å; F223-F229 HydrophobicContact CG-CE2 3.84Å; F223-F229 AromaticContact CG-CZ 3.6Å; F223-F229 HydrophobicContact CG-CZ 3.6Å; F223-F229 HydrophobicContact CZ-CZ 4.02Å; N226-F229 PolarHBondContact OD1-N 3.4Å; N226-F229 VanDerWaalsContact OD1-N 3.09Å; N226-F229 PolarHBondContact OD1-O 3.33Å; F229-N231 HydrophobicContact CD2-CB 3.92Å; F229-N231 VanDerWaalsContact CD2-O 3.31Å; F229-N231 WeakPolarHBondContact CD2-O 3Å; F229-N231 HydrophobicContact CE2-CB 4.33Å; F229-N231 VanDerWaalsContact CE2-O 3.24Å; F229-N231 WeakPolarHBondContact CE2-O 3.33Å; F229-L234 HydrophobicContact CE1-CD1 4.25Å; F229-L234 HydrophobicContact CZ-CD1 4.02Å; F229-L234 HydrophobicContact CZ-CG 4.46Å; F229-I266 HydrophobicContact CB-CG2 3.66Å; F229-I266 HydrophobicContact CD1-CG2 3.59Å; F229-I266 HydrophobicContact CE1-CG2 4.37Å; F229-I266 HydrophobicContact CG-CG2 3.72Å; F229-D267 VanDerWaalsContact CA-O 3.24Å; F229-D267 WeakPolarHBondContact CA-O 3.13Å; F229-D267 WeakPolarHBondContact CB-O 2.96Å; F229-W268 HydrophobicContact CB-CE3 4.47Å; F229-W268 HydrophobicContact CD1-CE3 4.14Å; F229-W268 HydrophobicContact CD1-CH2 4.19Å; F229-W268 AromaticContact CD1-CZ3 3.84Å; F229-W268 HydrophobicContact CD1-CZ3 3.84Å; F229-W268 HydrophobicContact CE1-CZ3 4.48Å; F229-F304 HydrophobicContact CE1-CE1 4.06Å |
| 230 | T | 97.1 | Very high | 95.7 | Very high | 104 Ų | 104 | 42.5 Ų | 42.5 | 64% | 0.638 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -91.4 | -11.5 | -178.8 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | D267 | T230-D267 PolarHBondContact N-O 2.99Å; T230-D267 VanDerWaalsContact N-O 3.17Å; T230-D267 VanDerWaalsContact OG1-CB 3.27Å; T230-D267 WeakPolarHBondContact OG1-CB 3.37Å |
| 231 | N | 96.1 | Very high | 95.2 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | trans | -64.7 | 135.6 | 178.5 | -50.3 | 84.6 | 0 | 0 | 0 | 110.4 | F229 L234 D267 | F229-N231 HydrophobicContact CD2-CB 3.92Å; F229-N231 VanDerWaalsContact CD2-O 3.31Å; F229-N231 WeakPolarHBondContact CD2-O 3Å; F229-N231 HydrophobicContact CE2-CB 4.33Å; F229-N231 VanDerWaalsContact CE2-O 3.24Å; F229-N231 WeakPolarHBondContact CE2-O 3.33Å; N231-L234 HydrophobicContact CB-CD2 3.63Å; N231-D267 PolarHBondContact ND2-OD2 3.35Å; N231-D267 WeakPolarHBondContact OD1-CB 3.2Å; N231-D267 PolarHBondContact OD1-N 2.9Å | ||
| 232 | T | 96.7 | Very high | 94.7 | Very high | 92 Ų | 92 | 45.8 Ų | 45.8 | 56% | 0.564 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -91.4 | -21.2 | 169.9 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | H222 F223 | H222-T232 WeakPolarHBondContact CA-O 3.33Å; F223-T232 PolarHBondContact N-O 3.17Å |
| 233 | V | 96.5 | Very high | 94.2 | Very high | 44 Ų | 44 | 49.8 Ų | 49.8 | 27% | 0.267 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 126.5 | 178 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | E220 F221 H222 | E220-V233 HydrophobicContact CB-CG1 3.82Å; E220-V233 HydrophobicContact CG-CG1 4.13Å; F221-V233 CarbonylContact O-C 3.55Å; F221-V233 VanDerWaalsContact O-CA 3.27Å; F221-V233 WeakPolarHBondContact O-CA 3.46Å; H222-V233 WeakPolarHBondContact ND1-CG2 3.5Å |
| 234 | L | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.7 | 165.3 | -56.7 | -176.5 | 0 | 0 | 0 | 108.2 | F221 F223 F229 N231 I266 F304 F307 | F221-L234 HydrophobicContact CB-CB 4.33Å; F221-L234 PolarHBondContact N-O 3.05Å; F221-L234 PolarHBondContact O-N 3.42Å; F223-L234 HydrophobicContact CD2-CD1 4.41Å; F223-L234 HydrophobicContact CD2-CG 4.19Å; F223-L234 HydrophobicContact CE2-CB 4.31Å; F223-L234 HydrophobicContact CE2-CD1 3.74Å; F223-L234 HydrophobicContact CE2-CG 3.88Å; F223-L234 HydrophobicContact CZ-CD1 4.32Å; F229-L234 HydrophobicContact CE1-CD1 4.25Å; F229-L234 HydrophobicContact CZ-CD1 4.02Å; F229-L234 HydrophobicContact CZ-CG 4.46Å; N231-L234 HydrophobicContact CB-CD2 3.63Å; L234-I266 HydrophobicContact CD1-CD1 4.01Å; L234-I266 HydrophobicContact CD1-CG1 4.09Å; L234-I266 HydrophobicContact CD2-CG1 3.97Å; L234-I266 HydrophobicContact CD2-CG2 4.45Å; L234-F304 HydrophobicContact CD1-CD1 4.06Å; L234-F304 HydrophobicContact CD1-CE1 4.08Å; L234-F307 HydrophobicContact CB-CD1 3.9Å; L234-F307 HydrophobicContact CB-CD2 4.49Å; L234-F307 HydrophobicContact CB-CE1 3.53Å; L234-F307 HydrophobicContact CB-CE2 4.17Å; L234-F307 HydrophobicContact CB-CG 4.36Å; L234-F307 HydrophobicContact CB-CZ 3.68Å; L234-F307 HydrophobicContact CD1-CD2 3.95Å; L234-F307 HydrophobicContact CD1-CE2 3.73Å; L234-F307 HydrophobicContact CD1-CG 4.46Å; L234-F307 HydrophobicContact CD1-CZ 4.07Å |
| 235 | S | 94.1 | Very high | 93.2 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.5 | -172 | 63.4 | 0 | 0 | 0 | 0 | 111.9 | L219 C264 | L219-S235 CarbonylContact O-C 3.58Å; L219-S235 WeakPolarHBondContact O-CA 3.39Å; S235-C264 PolarHBondContact N-SG 3.06Å; S235-C264 VanDerWaalsContact O-CB 3.29Å; S235-C264 WeakPolarHBondContact O-CB 3.49Å |
| 236 | K | 93.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.2 | 174.8 | -165 | 174.3 | -162.8 | -69.8 | 0 | 109.8 | T218 L219 Y238 F306 F307 D330 | T218-K236 CarbonylContact C-O 3.43Å; T218-K236 VanDerWaalsContact CA-O 3.31Å; T218-K236 WeakPolarHBondContact CA-O 3.48Å; L219-K236 PolarHBondContact N-O 3.28Å; L219-K236 PolarHBondContact O-N 3.15Å; K236-Y238 HydrophobicContact CD-CE2 4.12Å; K236-Y238 HydrophobicContact CG-CE2 4.1Å; K236-Y238 PolarHBondContact NZ-OH 3.47Å; K236-F306 HydrophobicContact CB-CE1 4.41Å; K236-F306 HydrophobicContact CD-CD1 3.78Å; K236-F306 HydrophobicContact CD-CD2 4.21Å; K236-F306 HydrophobicContact CD-CE1 3.4Å; K236-F306 HydrophobicContact CD-CE2 3.88Å; K236-F306 HydrophobicContact CD-CG 4.18Å; K236-F306 HydrophobicContact CD-CZ 3.47Å; K236-F306 VanDerWaalsContact CD-CZ 3.47Å; K236-F306 WeakPolarHBondContact CD-O 3.28Å; K236-F306 WeakPolarHBondContact CE-O 3.43Å; K236-F307 HydrophobicContact CB-CD1 4.46Å; K236-D330 WeakPolarHBondContact CE-OD1 3.29Å; K236-D330 IonicContact NZ-OD1 2.71Å; K236-D330 PolarHBondContact NZ-OD1 3.24Å; K236-D330 IonicContact NZ-OD2 3.64Å; K236-D330 PolarHBondContact NZ-OD2 3.18Å |
| 237 | T | 93.1 | Very high | 92.1 | Very high | 29 Ų | 29 | 56.6 Ų | 56.6 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 136.4 | -177.6 | -53.1 | 0 | 0 | 0 | 0 | 110.3 | F217 T218 C260 V261 | F217-T237 CarbonylContact O-C 3.58Å; F217-T237 WeakPolarHBondContact O-CA 3.38Å; T218-T237 WeakPolarHBondContact CG2-OG1 3.12Å; T218-T237 WeakPolarHBondContact OG1-CG2 3.38Å; T218-T237 PolarHBondContact OG1-OG1 3.29Å; T237-C260 CarbonylContact O-C 3.58Å; T237-C260 VanDerWaalsContact O-CA 3.3Å; T237-C260 WeakPolarHBondContact O-CA 3.42Å; T237-V261 WeakPolarHBondContact CA-O 3.38Å; T237-V261 WeakPolarHBondContact CB-O 3.14Å; T237-V261 PolarHBondContact N-O 3.4Å; T237-V261 PolarHBondContact O-N 3.37Å; T237-V261 VanDerWaalsContact O-O 3.11Å |
| 238 | Y | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.1 | 175.1 | -66.5 | -83.5 | 0 | 0 | 0 | 108.8 | S216 F217 L219 K236 I257 C260 F306 D330 F331 G334 | S216-Y238 CarbonylContact C-O 3.24Å; S216-Y238 WeakPolarHBondContact CA-O 3.43Å; S216-Y238 WeakPolarHBondContact CB-O 3.38Å; F217-Y238 HydrophobicContact CD2-CD2 4.17Å; F217-Y238 HydrophobicContact CE1-CD2 4.27Å; F217-Y238 HydrophobicContact CE1-CG 4.17Å; F217-Y238 AromaticContact CE2-CD2 3.43Å; F217-Y238 HydrophobicContact CE2-CD2 3.43Å; F217-Y238 VanDerWaalsContact CE2-CD2 3.43Å; F217-Y238 HydrophobicContact CE2-CE2 4.11Å; F217-Y238 HydrophobicContact CE2-CG 4.15Å; F217-Y238 AromaticContact CZ-CD2 3.5Å; F217-Y238 HydrophobicContact CZ-CD2 3.5Å; F217-Y238 VanDerWaalsContact CZ-CD2 3.5Å; F217-Y238 HydrophobicContact CZ-CE2 4.29Å; F217-Y238 AromaticContact CZ-CG 3.75Å; F217-Y238 HydrophobicContact CZ-CG 3.75Å; F217-Y238 PolarHBondContact N-O 2.95Å; F217-Y238 PolarHBondContact O-N 3.25Å; L219-Y238 HydrophobicContact CD1-CE2 4.02Å; L219-Y238 HydrophobicContact CG-CE2 4.41Å; K236-Y238 HydrophobicContact CD-CE2 4.12Å; K236-Y238 HydrophobicContact CG-CE2 4.1Å; K236-Y238 PolarHBondContact NZ-OH 3.47Å; Y238-I257 HydrophobicContact CD1-CD1 4.1Å; Y238-I257 HydrophobicContact CD1-CG2 3.57Å; Y238-I257 HydrophobicContact CE1-CG2 4.45Å; Y238-I257 HydrophobicContact CG-CD1 4.29Å; Y238-I257 HydrophobicContact CG-CG2 4.26Å; Y238-C260 HydrophobicContact CD1-CB 4.11Å; Y238-C260 HydrophobicContact CE1-CB 4.17Å; Y238-F306 VanDerWaalsContact OH-CE2 3.26Å; Y238-F306 WeakPolarHBondContact OH-CE2 3.16Å; Y238-F306 VanDerWaalsContact OH-CZ 3.27Å; Y238-F306 WeakPolarHBondContact OH-CZ 3.47Å; Y238-D330 WeakPolarHBondContact CE1-OD2 3.29Å; Y238-D330 PolarHBondContact OH-O 2.87Å; Y238-F331 HydrophobicContact CD1-CD1 4.12Å; Y238-F331 HydrophobicContact CD1-CE1 4.45Å; Y238-F331 AromaticContact CE1-CD1 3.85Å; Y238-F331 HydrophobicContact CE1-CD1 3.85Å; Y238-F331 HydrophobicContact CE1-CE1 4.39Å; Y238-G334 WeakPolarHBondContact OH-CA 3.46Å |
| 239 | K | 91.6 | Very high | 91 | Very high | 97 Ų | 97 | 55.3 Ų | 55.3 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 133 | 171.2 | -72 | -178.9 | 172 | 172.3 | 0 | 108.8 | M258 S259 V261 | K239-M258 PolarHBondContact O-N 3.21Å; K239-S259 PolarHBondContact N-O 3.38Å; K239-V261 HydrophobicContact CD-CG2 3.61Å; K239-V261 HydrophobicContact CG-CG2 3.95Å |
| 240 | M | 90.6 | Very high | 90.5 | Very high | 21 Ų | 21 | 60.1 Ų | 60.1 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 155.9 | -179.3 | -59.3 | 175.2 | 74 | 0 | 0 | 110.6 | M215 F217 P255 E256 I257 R338 | M215-M240 HydrophobicContact CB-CB 4.16Å; M215-M240 HydrophobicContact CG-CB 3.77Å; M215-M240 HydrophobicContact CG-CG 4.5Å; M215-M240 HydrophobicContact CG-SD 4.24Å; M215-M240 PolarHBondContact O-N 3.49Å; M215-M240 HydrophobicContact SD-CB 3.73Å; M215-M240 HydrophobicContact SD-CE 4.22Å; M215-M240 HydrophobicContact SD-SD 4.15Å; F217-M240 HydrophobicContact CD1-CG 4.3Å; F217-M240 HydrophobicContact CD1-SD 3.59Å; F217-M240 VanDerWaalsContact CD1-SD 3.59Å; F217-M240 HydrophobicContact CE1-CG 4.28Å; F217-M240 HydrophobicContact CE1-SD 3.75Å; M240-P255 HydrophobicContact CE-CB 3.65Å; M240-E256 CarbonylContact C-O 3.55Å; M240-E256 WeakPolarHBondContact CA-O 3.3Å; M240-I257 HydrophobicContact CG-CG1 4.2Å; M240-R338 PolarHBondContact SD-NH1 3.25Å |
| 241 | R | 86.8 | Confident | 90 | Very high | 89 Ų | 89 | 58 Ų | 58 | 34% | 0.336 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.4 | 171.4 | 178.9 | -167.4 | -64.7 | -176.2 | -0.7 | 108.7 | E243 D245 P255 E256 M258 | R241-E243 WeakPolarHBondContact CD-O 3.48Å; R241-E243 HydrophobicContact CG-CB 4.16Å; R241-E243 WeakPolarHBondContact CG-O 3.45Å; R241-D245 IonicContact NH1-OD2 3.65Å; R241-D245 PolarHBondContact NH1-OD2 3.19Å; R241-P255 WeakPolarHBondContact O-CA 3.23Å; R241-E256 PolarHBondContact N-O 3.03Å; R241-E256 PolarHBondContact O-N 3.09Å; R241-M258 HydrophobicContact CB-CG 3.6Å; R241-M258 HydrophobicContact CB-SD 3.58Å; R241-M258 VanDerWaalsContact CB-SD 3.58Å; R241-M258 HydrophobicContact CG-SD 4.26Å; R241-M258 PolarHBondContact NE-SD 3.13Å; R241-M258 PolarHBondContact NH2-SD 2.85Å |
| 242 | S | 86.5 | Confident | 89.6 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | trans | -105.8 | -10.6 | 170.9 | 50 | 0 | 0 | 0 | 0 | 113 | A94 E98 F252 | A94-S242 WeakPolarHBondContact CA-O 3.38Å; A94-S242 WeakPolarHBondContact CB-O 3.23Å; E98-S242 WeakPolarHBondContact CG-OG 3.33Å; S242-F252 WeakPolarHBondContact O-CE2 3.37Å; S242-F252 WeakPolarHBondContact O-CZ 3.38Å | ||
| 243 | E | 86.7 | Confident | 89 | Confident | 128 Ų | 128 | 60.2 Ų | 60.2 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -80.3 | 136.5 | 178.1 | -65.4 | -178.6 | 161.4 | 0 | 0 | 111.4 | R241 | R241-E243 WeakPolarHBondContact CD-O 3.48Å; R241-E243 HydrophobicContact CG-CB 4.16Å; R241-E243 WeakPolarHBondContact CG-O 3.45Å |
| 244 | P | 87.1 | Confident | 88.5 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -62 | 147.3 | 174.1 | -19.8 | 33.1 | 0 | 0 | 0 | 111.1 | A90 A94 P249 F252 | A90-P244 HydrophobicContact CB-CB 4.33Å; A90-P244 HydrophobicContact CB-CG 3.78Å; A94-P244 HydrophobicContact CB-CG 4.49Å; P244-P249 HydrophobicContact CB-CB 4.4Å; P244-F252 HydrophobicContact CB-CB 3.94Å; P244-F252 HydrophobicContact CB-CD2 4.32Å; P244-F252 HydrophobicContact CB-CG 4.09Å; P244-F252 HydrophobicContact CG-CB 4.31Å; P244-F252 HydrophobicContact CG-CD1 4.23Å; P244-F252 HydrophobicContact CG-CD2 4.22Å; P244-F252 HydrophobicContact CG-CG 3.97Å |
| 245 | D | 85.9 | Confident | 88 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 135.8 | 176.3 | -164.5 | -79.8 | 0 | 0 | 0 | 111.4 | R241 S247 D248 P249 | R241-D245 IonicContact NH1-OD2 3.65Å; R241-D245 PolarHBondContact NH1-OD2 3.19Å; D245-S247 VanDerWaalsContact C-N 3.29Å; D245-S247 PolarHBondContact O-N 2.88Å; D245-S247 WeakPolarHBondContact OD1-CA 3.16Å; D245-S247 VanDerWaalsContact OD1-CB 3.3Å; D245-S247 WeakPolarHBondContact OD1-CB 3.35Å; D245-S247 PolarHBondContact OD1-N 2.75Å; D245-S247 PolarHBondContact OD1-OG 3.25Å; D245-D248 CarbonylContact O-C 3.57Å; D245-D248 VanDerWaalsContact O-C 3.29Å; D245-D248 PolarHBondContact OD1-N 3.22Å; D245-P249 WeakPolarHBondContact O-CA 3.48Å; D245-P249 WeakPolarHBondContact O-CB 3.47Å; D245-P249 WeakPolarHBondContact O-CD 3.31Å |
| 246 | E | 84.9 | Confident | 87.7 | Confident | 197 Ų | 197 | 63.1 Ų | 63.1 | 92% | 0.921 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -68.2 | -29.7 | 179.9 | -66.6 | -169.7 | 166.9 | 0 | 0 | 112.8 | ||
| 247 | S | 85.2 | Confident | 87.4 | Confident | 110 Ų | 110 | 64.2 Ų | 64.2 | 77% | 0.769 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -84.8 | -29.4 | -179.7 | 73.3 | 0 | 0 | 0 | 0 | 112.7 | D245 | D245-S247 VanDerWaalsContact C-N 3.29Å; D245-S247 PolarHBondContact O-N 2.88Å; D245-S247 WeakPolarHBondContact OD1-CA 3.16Å; D245-S247 VanDerWaalsContact OD1-CB 3.3Å; D245-S247 WeakPolarHBondContact OD1-CB 3.35Å; D245-S247 PolarHBondContact OD1-N 2.75Å; D245-S247 PolarHBondContact OD1-OG 3.25Å |
| 248 | D | 86.9 | Confident | 87 | Confident | 78 Ų | 78 | 67.3 Ų | 67.3 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | trans | -139.8 | 76.4 | 173 | -167.2 | 9.5 | 0 | 0 | 0 | 112.5 | D245 F250 S251 | D245-D248 CarbonylContact O-C 3.57Å; D245-D248 VanDerWaalsContact O-C 3.29Å; D245-D248 PolarHBondContact OD1-N 3.22Å; D248-F250 PolarHBondContact O-N 2.86Å; D248-F250 VanDerWaalsContact O-N 3.13Å; D248-S251 PolarHBondContact O-N 3.39Å; D248-S251 PolarHBondContact O-OG 3.13Å | ||
| 249 | P | 85.9 | Confident | 86.6 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -6.1 | -175.9 | 28.3 | -36.2 | 0 | 0 | 0 | 113.8 | V87 P244 D245 | V87-P249 HydrophobicContact CG1-CB 4.2Å; V87-P249 HydrophobicContact CG2-CB 4.03Å; V87-P249 HydrophobicContact CG2-CG 3.79Å; P244-P249 HydrophobicContact CB-CB 4.4Å; D245-P249 WeakPolarHBondContact O-CA 3.48Å; D245-P249 WeakPolarHBondContact O-CB 3.47Å; D245-P249 WeakPolarHBondContact O-CD 3.31Å |
| 250 | F | 87.3 | Confident | 86.2 | Confident | 104 Ų | 104 | 65.2 Ų | 65.2 | 46% | 0.456 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -9.4 | -179.4 | -55.9 | -71 | 0 | 0 | 0 | 113 | K83 Q86 V87 D248 F252 | K83-F250 HydrophobicContact CB-CE1 4.25Å; K83-F250 HydrophobicContact CB-CZ 3.86Å; K83-F250 HydrophobicContact CD-CZ 4.32Å; K83-F250 HydrophobicContact CG-CZ 4.24Å; Q86-F250 HydrophobicContact CB-CD1 4.49Å; Q86-F250 HydrophobicContact CB-CE1 4.03Å; Q86-F250 HydrophobicContact CG-CD1 4.02Å; Q86-F250 HydrophobicContact CG-CE1 4.08Å; V87-F250 HydrophobicContact CG2-CE1 3.71Å; V87-F250 HydrophobicContact CG2-CE2 4.46Å; V87-F250 HydrophobicContact CG2-CZ 3.64Å; D248-F250 PolarHBondContact O-N 2.86Å; D248-F250 VanDerWaalsContact O-N 3.13Å; F250-F252 VanDerWaalsContact C-N 3.29Å |
| 251 | S | 85.8 | Confident | 85.3 | Confident | 58 Ų | 58 | 67 Ų | 67 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -79.5 | -12.6 | 172.5 | 62 | 0 | 0 | 0 | 0 | 113.1 | D248 D253 | D248-S251 PolarHBondContact O-N 3.39Å; D248-S251 PolarHBondContact O-OG 3.13Å; S251-D253 PolarHBondContact O-N 2.9Å |
| 252 | F | 87.2 | Confident | 83.9 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 9% | 0.092 | 36% | 0.359 | C | S | . | . | trans | -61.8 | 115.7 | -179.3 | -178.4 | -102.8 | 0 | 0 | 0 | 111.8 | A90 E93 A94 Y97 S242 P244 F250 G254 | A90-F252 HydrophobicContact CB-CD1 4.07Å; E93-F252 HydrophobicContact CB-CE1 3.88Å; A94-F252 HydrophobicContact CB-CZ 4.19Å; Y97-F252 HydrophobicContact CD2-CE1 4.39Å; Y97-F252 HydrophobicContact CD2-CZ 4.05Å; Y97-F252 HydrophobicContact CE2-CE1 4.47Å; Y97-F252 HydrophobicContact CE2-CZ 4.44Å; S242-F252 WeakPolarHBondContact O-CE2 3.37Å; S242-F252 WeakPolarHBondContact O-CZ 3.38Å; P244-F252 HydrophobicContact CB-CB 3.94Å; P244-F252 HydrophobicContact CB-CD2 4.32Å; P244-F252 HydrophobicContact CB-CG 4.09Å; P244-F252 HydrophobicContact CG-CB 4.31Å; P244-F252 HydrophobicContact CG-CD1 4.23Å; P244-F252 HydrophobicContact CG-CD2 4.22Å; P244-F252 HydrophobicContact CG-CG 3.97Å; F250-F252 VanDerWaalsContact C-N 3.29Å; F252-G254 WeakPolarHBondContact CE2-O 3.41Å | ||
| 253 | D | 84.7 | Confident | 82.8 | Confident | 146 Ų | 146 | 71.7 Ų | 71.7 | 78% | 0.781 | 38% | 0.384 | S | S | * | . | trans | -123.2 | 15.6 | 176.5 | -162.5 | 26.6 | 0 | 0 | 0 | 112.4 | S251 | S251-D253 PolarHBondContact O-N 2.9Š| ||
| 254 | G | 86.5 | Confident | 82.4 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 123.3 | -162.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y97 F252 E256 | Y97-G254 VanDerWaalsContact CE2-CA 3.5Å; F252-G254 WeakPolarHBondContact CE2-O 3.41Å; G254-E256 PolarHBondContact O-N 2.92Å |
| 255 | P | 85.8 | Confident | 82.5 | Confident | 44 Ų | 44 | 70.1 Ų | 70.1 | 29% | 0.286 | 38% | 0.383 | S | S | . | . | trans | -69.3 | 119.6 | -177.5 | -24.4 | 38.2 | 0 | 0 | 0 | 111.4 | Y97 M215 M240 R241 | Y97-P255 HydrophobicContact CD1-CG 3.55Å; Y97-P255 HydrophobicContact CD2-CG 4.36Å; Y97-P255 HydrophobicContact CE1-CG 4.3Å; Y97-P255 VanDerWaalsContact CG-CD 3.43Å; Y97-P255 HydrophobicContact CG-CG 3.58Å; M215-P255 HydrophobicContact SD-CB 4.18Å; M240-P255 HydrophobicContact CE-CB 3.65Å; R241-P255 WeakPolarHBondContact O-CA 3.23Å | ||
| 256 | E | 85.8 | Confident | 82.8 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 45% | 0.453 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 144.2 | -178.9 | -70.4 | 172.2 | -151.5 | 0 | 0 | 110.8 | M240 R241 G254 M258 | M240-E256 CarbonylContact C-O 3.55Å; M240-E256 WeakPolarHBondContact CA-O 3.3Å; R241-E256 PolarHBondContact N-O 3.03Å; R241-E256 PolarHBondContact O-N 3.09Å; G254-E256 PolarHBondContact O-N 2.92Å; E256-M258 PolarHBondContact O-N 3.18Å |
| 257 | I | 87.8 | Confident | 83.3 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 112.6 | 169.7 | -64.4 | 175.2 | 0 | 0 | 0 | 107.6 | F217 Y238 M240 F331 H335 | F217-I257 HydrophobicContact CE1-CD1 4.07Å; F217-I257 HydrophobicContact CE1-CG1 4.32Å; F217-I257 HydrophobicContact CZ-CD1 4.01Å; Y238-I257 HydrophobicContact CD1-CD1 4.1Å; Y238-I257 HydrophobicContact CD1-CG2 3.57Å; Y238-I257 HydrophobicContact CE1-CG2 4.45Å; Y238-I257 HydrophobicContact CG-CD1 4.29Å; Y238-I257 HydrophobicContact CG-CG2 4.26Å; M240-I257 HydrophobicContact CG-CG1 4.2Å; I257-F331 HydrophobicContact CB-CB 4.2Å; I257-F331 HydrophobicContact CB-CD1 4.39Å; I257-F331 HydrophobicContact CB-CD2 3.92Å; I257-F331 HydrophobicContact CB-CE2 4.39Å; I257-F331 HydrophobicContact CB-CG 3.91Å; I257-F331 HydrophobicContact CD1-CB 4.05Å; I257-F331 WeakPolarHBondContact CD1-O 3.47Å; I257-F331 HydrophobicContact CG2-CB 4.23Å; I257-F331 HydrophobicContact CG2-CD1 3.53Å; I257-F331 HydrophobicContact CG2-CD2 3.76Å; I257-F331 HydrophobicContact CG2-CE1 3.71Å; I257-F331 HydrophobicContact CG2-CE2 3.93Å; I257-F331 HydrophobicContact CG2-CG 3.55Å; I257-F331 HydrophobicContact CG2-CZ 3.91Å; I257-F331 WeakPolarHBondContact O-CD2 3.46Å; I257-F331 WeakPolarHBondContact O-CE2 3.4Å; I257-H335 HydrophobicContact CD1-CB 4.4Å |
| 258 | M | 84.9 | Confident | 83.8 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -40.3 | 179.4 | -81.9 | -164.7 | 63.6 | 0 | 0 | 113.1 | K239 R241 E256 | K239-M258 PolarHBondContact O-N 3.21Å; R241-M258 HydrophobicContact CB-CG 3.6Å; R241-M258 HydrophobicContact CB-SD 3.58Å; R241-M258 VanDerWaalsContact CB-SD 3.58Å; R241-M258 HydrophobicContact CG-SD 4.26Å; R241-M258 PolarHBondContact NE-SD 3.13Å; R241-M258 PolarHBondContact NH2-SD 2.85Å; E256-M258 PolarHBondContact O-N 3.18Å |
| 259 | S | 84.8 | Confident | 84.3 | Confident | 28 Ų | 28 | 58.2 Ų | 58.2 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 150.2 | -172 | 56.5 | 0 | 0 | 0 | 0 | 110.2 | K239 | K239-S259 PolarHBondContact N-O 3.38Å |
| 260 | C | 82.2 | Confident | 84.7 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 17% | 0.169 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 135.3 | 165.7 | 54.8 | 0 | 0 | 0 | 0 | 109.7 | T237 Y238 P309 F331 | T237-C260 CarbonylContact O-C 3.58Å; T237-C260 VanDerWaalsContact O-CA 3.3Å; T237-C260 WeakPolarHBondContact O-CA 3.42Å; Y238-C260 HydrophobicContact CD1-CB 4.11Å; Y238-C260 HydrophobicContact CE1-CB 4.17Å; C260-P309 HydrophobicContact CB-CG 4.31Å; C260-P309 WeakPolarHBondContact SG-CG 3.4Å; C260-F331 HydrophobicContact CB-CE1 4.35Å |
| 261 | V | 72.1 | Confident | 84.8 | Confident | 59 Ų | 59 | 66 Ų | 66 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 143.2 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | T237 K239 | T237-V261 WeakPolarHBondContact CA-O 3.38Å; T237-V261 WeakPolarHBondContact CB-O 3.14Å; T237-V261 PolarHBondContact N-O 3.4Å; T237-V261 PolarHBondContact O-N 3.37Å; T237-V261 VanDerWaalsContact O-O 3.11Å; K239-V261 HydrophobicContact CD-CG2 3.61Å; K239-V261 HydrophobicContact CG-CG2 3.95Å |
| 262 | G | 58 | Low | 85.3 | Confident | 40 Ų | 40 | 66.3 Ų | 66.3 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | trans | 90.5 | 73.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | C264 | G262-C264 VanDerWaalsContact C-N 3.25Å; G262-C264 PolarHBondContact O-N 3.39Å | ||
| 263 | R | 64 | Low | 85.7 | Confident | 159 Ų | 159 | 67.4 Ų | 67.4 | 60% | 0.6 | 37% | 0.371 | S | S | * | . | trans | -53 | 96.7 | 157.3 | -170.7 | -174.7 | -154.6 | 162.7 | 13.2 | 107.3 | T265 T308 E311 | R263-T265 PolarHBondContact O-N 3.03Å; R263-T308 HydrophobicContact CG-CG2 4.36Å; R263-E311 IonicContact NH1-OE1 3.91Å | ||
| 264 | C | 78.3 | Confident | 86.2 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | trans | -74.1 | 100.5 | 174.8 | -167.1 | 0 | 0 | 0 | 0 | 106.1 | S235 G262 I266 F307 | S235-C264 PolarHBondContact N-SG 3.06Å; S235-C264 VanDerWaalsContact O-CB 3.29Å; S235-C264 WeakPolarHBondContact O-CB 3.49Å; G262-C264 VanDerWaalsContact C-N 3.25Å; G262-C264 PolarHBondContact O-N 3.39Å; C264-I266 PolarHBondContact O-N 3.11Å; C264-F307 HydrophobicContact CB-CB 4.29Å; C264-F307 HydrophobicContact CB-CD1 4.31Å; C264-F307 PolarHBondContact N-O 3.22Å | ||
| 265 | T | 87.4 | Confident | 86.6 | Confident | 91 Ų | 91 | 62 Ų | 62 | 56% | 0.558 | 34% | 0.342 | S | S | * | . | trans | -69.4 | 111.5 | 177.5 | -59.2 | 0 | 0 | 0 | 0 | 107.3 | R263 D267 | R263-T265 PolarHBondContact O-N 3.03Å; T265-D267 PolarHBondContact O-N 3.35Å | ||
| 266 | I | 93.8 | Very high | 87 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 7% | 0.072 | 35% | 0.346 | C | S | . | . | trans | -75.1 | 118.3 | 175.6 | -51.9 | 175.1 | 0 | 0 | 0 | 107.9 | F229 L234 C264 W268 F304 F307 | F229-I266 HydrophobicContact CB-CG2 3.66Å; F229-I266 HydrophobicContact CD1-CG2 3.59Å; F229-I266 HydrophobicContact CE1-CG2 4.37Å; F229-I266 HydrophobicContact CG-CG2 3.72Å; L234-I266 HydrophobicContact CD1-CD1 4.01Å; L234-I266 HydrophobicContact CD1-CG1 4.09Å; L234-I266 HydrophobicContact CD2-CG1 3.97Å; L234-I266 HydrophobicContact CD2-CG2 4.45Å; C264-I266 PolarHBondContact O-N 3.11Å; I266-W268 HydrophobicContact CB-CD2 4.45Å; I266-W268 HydrophobicContact CB-CZ2 4.23Å; I266-W268 HydrophobicContact CD1-CZ2 3.69Å; I266-W268 HydrophobicContact CG2-CD2 3.74Å; I266-W268 VanDerWaalsContact CG2-CE2 3.46Å; I266-W268 HydrophobicContact CG2-CE3 4.3Å; I266-W268 HydrophobicContact CG2-CG 4.09Å; I266-W268 HydrophobicContact CG2-CH2 4.28Å; I266-W268 HydrophobicContact CG2-CZ2 3.77Å; I266-W268 PolarHBondContact O-N 2.88Å; I266-F304 HydrophobicContact CD1-CB 3.84Å; I266-F304 HydrophobicContact CD1-CD1 3.85Å; I266-F304 HydrophobicContact CD1-CG 4.26Å; I266-F307 HydrophobicContact CD1-CB 4.25Å; I266-F307 HydrophobicContact CD1-CD2 4.05Å; I266-F307 HydrophobicContact CD1-CG 4.47Å; I266-F307 HydrophobicContact CG1-CB 4.48Å | ||
| 267 | D | 95.3 | Very high | 87.2 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | trans | -81.2 | 66.5 | 179.5 | -64 | -51.8 | 0 | 0 | 0 | 110.1 | F229 T230 N231 T265 T269 | F229-D267 VanDerWaalsContact CA-O 3.24Å; F229-D267 WeakPolarHBondContact CA-O 3.13Å; F229-D267 WeakPolarHBondContact CB-O 2.96Å; T230-D267 PolarHBondContact N-O 2.99Å; T230-D267 VanDerWaalsContact N-O 3.17Å; T230-D267 VanDerWaalsContact OG1-CB 3.27Å; T230-D267 WeakPolarHBondContact OG1-CB 3.37Å; N231-D267 PolarHBondContact ND2-OD2 3.35Å; N231-D267 WeakPolarHBondContact OD1-CB 3.2Å; N231-D267 PolarHBondContact OD1-N 2.9Å; T265-D267 PolarHBondContact O-N 3.35Å; D267-T269 PolarHBondContact O-N 3.24Å | ||
| 268 | W | 96.2 | Very high | 87.3 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 18% | 0.178 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -56.5 | 132.2 | -179.5 | -64.8 | 102.3 | 0 | 0 | 0 | 111.9 | F228 F229 I266 K272 N273 V274 T275 F304 | F228-W268 HydrophobicContact CB-CE3 4.4Å; F228-W268 HydrophobicContact CB-CZ3 4.11Å; F228-W268 CarbonylContact O-C 3.54Å; F228-W268 WeakPolarHBondContact O-CA 3.15Å; F229-W268 HydrophobicContact CB-CE3 4.47Å; F229-W268 HydrophobicContact CD1-CE3 4.14Å; F229-W268 HydrophobicContact CD1-CH2 4.19Å; F229-W268 AromaticContact CD1-CZ3 3.84Å; F229-W268 HydrophobicContact CD1-CZ3 3.84Å; F229-W268 HydrophobicContact CE1-CZ3 4.48Å; I266-W268 HydrophobicContact CB-CD2 4.45Å; I266-W268 HydrophobicContact CB-CZ2 4.23Å; I266-W268 HydrophobicContact CD1-CZ2 3.69Å; I266-W268 HydrophobicContact CG2-CD2 3.74Å; I266-W268 VanDerWaalsContact CG2-CE2 3.46Å; I266-W268 HydrophobicContact CG2-CE3 4.3Å; I266-W268 HydrophobicContact CG2-CG 4.09Å; I266-W268 HydrophobicContact CG2-CH2 4.28Å; I266-W268 HydrophobicContact CG2-CZ2 3.77Å; I266-W268 PolarHBondContact O-N 2.88Å; W268-K272 WeakPolarHBondContact CZ3-O 3.47Å; W268-N273 HydrophobicContact CB-CB 3.78Å; W268-N273 HydrophobicContact CD2-CB 3.87Å; W268-N273 HydrophobicContact CE3-CB 4.44Å; W268-N273 HydrophobicContact CG-CB 3.54Å; W268-N273 PolarHBondContact NE1-OD1 3.36Å; W268-V274 HydrophobicContact CH2-CB 4.5Å; W268-V274 HydrophobicContact CH2-CG2 3.47Å; W268-V274 VanDerWaalsContact CH2-CG2 3.47Å; W268-V274 HydrophobicContact CZ2-CG2 4.03Å; W268-V274 HydrophobicContact CZ3-CG1 4.4Å; W268-V274 HydrophobicContact CZ3-CG2 4.04Å; W268-T275 HydrophobicContact CZ2-CG2 3.97Å; W268-F304 HydrophobicContact CH2-CB 4.2Å; W268-F304 HydrophobicContact CH2-CD1 4.18Å; W268-F304 HydrophobicContact CH2-CD2 4.06Å; W268-F304 AromaticContact CH2-CG 3.87Å; W268-F304 HydrophobicContact CH2-CG 3.87Å; W268-F304 HydrophobicContact CZ2-CB 3.91Å; W268-F304 HydrophobicContact CZ2-CD1 4.43Å; W268-F304 HydrophobicContact CZ2-CG 4.06Å |
| 269 | T | 95.9 | Very high | 87.3 | Confident | 46 Ų | 46 | 66 Ų | 66 | 28% | 0.282 | 36% | 0.364 | S | S | . | . | trans | -70.3 | 162.5 | 168.6 | 75.2 | 0 | 0 | 0 | 0 | 110.3 | E227 F228 D267 G271 K272 | E227-T269 WeakPolarHBondContact O-CB 3.32Å; E227-T269 WeakPolarHBondContact O-CG2 3.46Å; E227-T269 PolarHBondContact O-OG1 3.02Å; F228-T269 PolarHBondContact O-N 3.39Å; F228-T269 PolarHBondContact O-OG1 3.34Å; D267-T269 PolarHBondContact O-N 3.24Å; T269-G271 PolarHBondContact O-N 3.33Å; T269-K272 PolarHBondContact O-N 3Å; T269-K272 VanDerWaalsContact O-N 3.13Å; T269-K272 WeakPolarHBondContact OG1-CB 3.42Å; T269-K272 WeakPolarHBondContact OG1-CG 3.39Å | ||
| 270 | K | 93.9 | Very high | 87.4 | Confident | 211 Ų | 211 | 72.1 Ų | 72.1 | 92% | 0.917 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 113.9 | -170.8 | -175.4 | -178.7 | 178.5 | -177.9 | 0 | 111.9 | K272 | K270-K272 VanDerWaalsContact C-N 3.33Š|
| 271 | G | 90.6 | Very high | 87.6 | Confident | 81 Ų | 81 | 78.2 Ų | 78.2 | 84% | 0.835 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 10.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T269 | T269-G271 PolarHBondContact O-N 3.33Š|
| 272 | K | 95.7 | Very high | 88.1 | Confident | 64 Ų | 64 | 83.1 Ų | 83.1 | 28% | 0.278 | 43% | 0.427 | S | S | . | . | trans | -107.8 | 3.1 | 177.9 | -64.1 | -69.1 | -168.1 | 161 | 0 | 113.6 | E227 F228 W268 T269 K270 V274 | E227-K272 IonicContact OE1-NZ 2.88Å; E227-K272 PolarHBondContact OE1-NZ 3.06Å; E227-K272 WeakPolarHBondContact OE2-CE 3.45Å; E227-K272 IonicContact OE2-NZ 2.74Å; E227-K272 PolarHBondContact OE2-NZ 3.41Å; F228-K272 HydrophobicContact CB-CB 4.44Å; F228-K272 HydrophobicContact CD1-CB 4.1Å; F228-K272 HydrophobicContact CD1-CD 4.08Å; F228-K272 HydrophobicContact CD1-CG 4.49Å; F228-K272 HydrophobicContact CE1-CD 4.26Å; W268-K272 WeakPolarHBondContact CZ3-O 3.47Å; T269-K272 PolarHBondContact O-N 3Å; T269-K272 VanDerWaalsContact O-N 3.13Å; T269-K272 WeakPolarHBondContact OG1-CB 3.42Å; T269-K272 WeakPolarHBondContact OG1-CG 3.39Å; K270-K272 VanDerWaalsContact C-N 3.33Å; K272-V274 WeakPolarHBondContact O-CG1 3.43Å; K272-V274 PolarHBondContact O-N 3.29Å; K272-V274 VanDerWaalsContact O-N 3.1Å | ||
| 273 | N | 95.4 | Very high | 89.1 | Confident | 44 Ų | 44 | 87.2 Ų | 87.2 | 24% | 0.235 | 44% | 0.435 | C | S | . | . | trans | -68.2 | 107.9 | 174 | -173.3 | -19.8 | 0 | 0 | 0 | 110.2 | W268 T275 L276 | W268-N273 HydrophobicContact CB-CB 3.78Å; W268-N273 HydrophobicContact CD2-CB 3.87Å; W268-N273 HydrophobicContact CE3-CB 4.44Å; W268-N273 HydrophobicContact CG-CB 3.54Å; W268-N273 PolarHBondContact NE1-OD1 3.36Å; N273-T275 PolarHBondContact OD1-N 2.98Å; N273-T275 PolarHBondContact OD1-OG1 3.16Å; N273-L276 WeakPolarHBondContact ND2-CD1 3.35Å | ||
| 274 | V | 95.8 | Very high | 89.9 | Confident | 18 Ų | 18 | 86.8 Ų | 86.8 | 11% | 0.109 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -20.4 | -177.8 | -58 | 0 | 0 | 0 | 0 | 113.5 | D194 V197 W268 K272 L276 N300 S302 F304 | D194-V274 WeakPolarHBondContact OD1-CG2 3.46Å; V197-V274 HydrophobicContact CG2-CG1 4.12Å; W268-V274 HydrophobicContact CH2-CB 4.5Å; W268-V274 HydrophobicContact CH2-CG2 3.47Å; W268-V274 VanDerWaalsContact CH2-CG2 3.47Å; W268-V274 HydrophobicContact CZ2-CG2 4.03Å; W268-V274 HydrophobicContact CZ3-CG1 4.4Å; W268-V274 HydrophobicContact CZ3-CG2 4.04Å; K272-V274 WeakPolarHBondContact O-CG1 3.43Å; K272-V274 PolarHBondContact O-N 3.29Å; K272-V274 VanDerWaalsContact O-N 3.1Å; V274-L276 PolarHBondContact O-N 3.22Å; V274-N300 PolarHBondContact O-ND2 3Å; V274-N300 VanDerWaalsContact O-ND2 3.1Å; V274-S302 WeakPolarHBondContact CG2-OG 3.47Å; V274-F304 HydrophobicContact CG2-CD2 3.7Å; V274-F304 HydrophobicContact CG2-CE2 4.37Å; V274-F304 HydrophobicContact CG2-CG 4.42Å |
| 275 | T | 94.6 | Very high | 89.7 | Confident | 16 Ų | 16 | 91.8 Ų | 91.8 | 10% | 0.098 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -1 | 176 | 77.9 | 0 | 0 | 0 | 0 | 113 | W268 N273 N300 F304 N305 | W268-T275 HydrophobicContact CZ2-CG2 3.97Å; N273-T275 PolarHBondContact OD1-N 2.98Å; N273-T275 PolarHBondContact OD1-OG1 3.16Å; T275-N300 PolarHBondContact O-N 3.39Å; T275-F304 HydrophobicContact CG2-CB 3.7Å; T275-N305 WeakPolarHBondContact CB-OD1 3.32Å |
| 276 | L | 93.8 | Very high | 88.9 | Confident | 73 Ų | 73 | 97.3 Ų | 97.3 | 38% | 0.382 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 131 | -177.7 | -66.5 | -177.6 | 0 | 0 | 0 | 111.5 | N273 V274 T297 V298 | N273-L276 WeakPolarHBondContact ND2-CD1 3.35Å; V274-L276 PolarHBondContact O-N 3.22Å; L276-T297 HydrophobicContact CB-CG2 3.59Å; L276-T297 HydrophobicContact CD1-CG2 3.82Å; L276-T297 HydrophobicContact CD2-CG2 4.18Å; L276-T297 HydrophobicContact CG-CG2 4.08Å; L276-V298 WeakPolarHBondContact CA-O 3.49Å |
| 277 | K | 91.8 | Very high | 88 | Confident | 98 Ų | 98 | 100.8 Ų | 100.8 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.2 | 173.3 | 65.7 | -178.2 | 162.7 | -151.6 | 0 | 112.2 | T297 V298 N300 | K277-T297 WeakPolarHBondContact O-CA 3.34Å; K277-V298 HydrophobicContact CD-CG2 4.12Å; K277-V298 HydrophobicContact CG-CG2 3.43Å; K277-V298 VanDerWaalsContact CG-CG2 3.43Å; K277-V298 PolarHBondContact N-O 3.39Å; K277-V298 PolarHBondContact O-N 3.02Å; K277-N300 HydrophobicContact CB-CB 4.06Å; K277-N300 HydrophobicContact CD-CB 4.47Å; K277-N300 WeakPolarHBondContact CD-OD1 3.41Å; K277-N300 HydrophobicContact CG-CB 4.16Å |
| 278 | T | 88 | Confident | 87 | Confident | 90 Ų | 90 | 106.7 Ų | 106.7 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 111.5 | -176.7 | -64.5 | 0 | 0 | 0 | 0 | 111.3 | T295 | T278-T295 HydrophobicContact CG2-CG2 3.05Å |
| 279 | I | 86.6 | Confident | 86 | Confident | 84 Ų | 84 | 106.7 Ų | 106.7 | 43% | 0.431 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.1 | 179.9 | -56 | 179 | 0 | 0 | 0 | 110.2 | K281 K296 V298 | I279-K281 PolarHBondContact O-N 3.18Å; I279-K296 PolarHBondContact N-O 3.11Å; I279-K296 PolarHBondContact O-N 3.35Å; I279-V298 HydrophobicContact CD1-CG1 4.26Å; I279-V298 HydrophobicContact CD1-CG2 3.46Å; I279-V298 VanDerWaalsContact CD1-CG2 3.46Å; I279-V298 HydrophobicContact CG1-CG2 4.02Å |
| 280 | K | 87 | Confident | 85 | Confident | 155 Ų | 155 | 108 Ų | 108 | 67% | 0.674 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.3 | 104.3 | 175.7 | -70.9 | 178.4 | -173.9 | 171.6 | 0 | 110.3 | T293 | K280-T293 HydrophobicContact CB-CG2 3.71Å; K280-T293 HydrophobicContact CD-CG2 4.3Å; K280-T293 HydrophobicContact CG-CG2 4.09Å |
| 281 | K | 84.6 | Confident | 84.2 | Confident | 153 Ų | 153 | 101.9 Ų | 101.9 | 67% | 0.665 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.1 | 176.2 | -164.5 | 168 | -175.8 | 169.8 | 0 | 110.3 | I279 Q283 V294 | I279-K281 PolarHBondContact O-N 3.18Å; K281-Q283 PolarHBondContact O-N 2.93Å; K281-V294 PolarHBondContact N-O 3.16Å; K281-V294 PolarHBondContact O-N 3.1Å |
| 282 | K | 83.9 | Confident | 83.9 | Confident | 163 Ų | 163 | 107 Ų | 107 | 71% | 0.709 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 114.8 | 173 | -71.5 | -179.2 | -178.2 | 175 | 0 | 109.3 | V291 | K282-V291 HydrophobicContact CB-CG1 3.87Å; K282-V291 HydrophobicContact CD-CG1 4.35Å; K282-V291 HydrophobicContact CG-CG1 4.18Å |
| 283 | Q | 78.8 | Confident | 83.2 | Confident | 126 Ų | 126 | 107.8 Ų | 107.8 | 59% | 0.589 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.9 | 176.7 | -166.8 | 175.1 | -7.5 | 0 | 0 | 109.5 | K281 R292 V294 | K281-Q283 PolarHBondContact O-N 2.93Å; Q283-R292 PolarHBondContact N-O 2.94Å; Q283-R292 PolarHBondContact O-N 3.41Å; Q283-V294 HydrophobicContact CB-CG2 4.29Å |
| 284 | K | 79.6 | Confident | 82.6 | Confident | 150 Ų | 150 | 108.8 Ų | 108.8 | 65% | 0.652 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.5 | 175.7 | -168.5 | 175.7 | -177.3 | 179.1 | 0 | 109.3 | K286 V291 | K284-K286 PolarHBondContact O-N 2.87Å; K284-V291 HydrophobicContact CB-CG2 4.46Å; K284-V291 HydrophobicContact CG-CG2 4.25Å |
| 285 | H | 75 | Confident | 82.1 | Confident | 121 Ų | 121 | 111.9 Ų | 111.9 | 56% | 0.56 | 57% | 0.565 | S | S | * | * | trans | -68.9 | 121.2 | 177 | -167.8 | -72.4 | 0 | 0 | 0 | 110.1 | G287 R288 T290 | H285-G287 PolarHBondContact O-N 3.14Å; H285-R288 PolarHBondContact O-N 3.29Å; H285-T290 PolarHBondContact N-O 3.22Å; H285-T290 VanDerWaalsContact N-O 3.11Å | ||
| 286 | K | 70.9 | Confident | 81.7 | Confident | 207 Ų | 207 | 117.5 Ų | 117.5 | 90% | 0.9 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 107.2 | 172 | -68.8 | -174.8 | 178 | -179.4 | 0 | 107.7 | K284 | K284-K286 PolarHBondContact O-N 2.87Š|
| 287 | G | 74.3 | Confident | 81.4 | Confident | 87 Ų | 87 | 117.6 Ų | 117.6 | 90% | 0.897 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 118 | -32.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | H285 | H285-G287 PolarHBondContact O-N 3.14Š|
| 288 | R | 75.6 | Confident | 81.4 | Confident | 207 Ų | 207 | 114.2 Ų | 114.2 | 78% | 0.781 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -5 | -175.6 | -146 | 175.3 | -178.2 | 171.5 | -0.4 | 114.4 | H285 T290 | H285-R288 PolarHBondContact O-N 3.29Å; R288-T290 PolarHBondContact O-N 3.46Å; R288-T290 PolarHBondContact O-OG1 3.37Å |
| 289 | G | 74.5 | Confident | 81.6 | Confident | 47 Ų | 47 | 115 Ų | 115 | 49% | 0.485 | 59% | 0.586 | S | S | . | * | trans | 68.6 | -14.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V291 | G289-V291 PolarHBondContact O-N 3.41Š| ||
| 290 | T | 73.9 | Confident | 82 | Confident | 74 Ų | 74 | 112.5 Ų | 112.5 | 45% | 0.454 | 57% | 0.573 | S | S | . | * | trans | -66.3 | 128.3 | 179.6 | -38.9 | 0 | 0 | 0 | 0 | 111.2 | H285 R288 | H285-T290 PolarHBondContact N-O 3.22Å; H285-T290 VanDerWaalsContact N-O 3.11Å; R288-T290 PolarHBondContact O-N 3.46Å; R288-T290 PolarHBondContact O-OG1 3.37Å | ||
| 291 | V | 78.5 | Confident | 82.3 | Confident | 81 Ų | 81 | 110 Ų | 110 | 49% | 0.491 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.8 | 174 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | K282 K284 G289 | K282-V291 HydrophobicContact CB-CG1 3.87Å; K282-V291 HydrophobicContact CD-CG1 4.35Å; K282-V291 HydrophobicContact CG-CG1 4.18Å; K284-V291 HydrophobicContact CB-CG2 4.46Å; K284-V291 HydrophobicContact CG-CG2 4.25Å; G289-V291 PolarHBondContact O-N 3.41Å |
| 292 | R | 82.7 | Confident | 82.8 | Confident | 189 Ų | 189 | 102.9 Ų | 102.9 | 71% | 0.713 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136.8 | 169.4 | -69.8 | -177 | 178.5 | 175.1 | -1.6 | 108.8 | Q283 | Q283-R292 PolarHBondContact N-O 2.94Å; Q283-R292 PolarHBondContact O-N 3.41Å |
| 293 | T | 81.6 | Confident | 83.3 | Confident | 80 Ų | 80 | 95.1 Ų | 95.1 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 115.2 | 172 | -55.2 | 0 | 0 | 0 | 0 | 108.2 | K280 | K280-T293 HydrophobicContact CB-CG2 3.71Å; K280-T293 HydrophobicContact CD-CG2 4.3Å; K280-T293 HydrophobicContact CG-CG2 4.09Å |
| 294 | V | 83.3 | Confident | 84.1 | Confident | 65 Ų | 65 | 89.1 Ų | 89.1 | 39% | 0.394 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | K281 Q283 | K281-V294 PolarHBondContact N-O 3.16Å; K281-V294 PolarHBondContact O-N 3.1Å; Q283-V294 HydrophobicContact CB-CG2 4.29Å |
| 295 | T | 84.5 | Confident | 84.7 | Confident | 84 Ų | 84 | 84.7 Ų | 84.7 | 52% | 0.515 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117.7 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 108 | T278 | T278-T295 HydrophobicContact CG2-CG2 3.05Å |
| 296 | K | 86.9 | Confident | 85.5 | Confident | 133 Ų | 133 | 79.3 Ų | 79.3 | 58% | 0.578 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.2 | 176 | -175.3 | -177.2 | 178.4 | -170.1 | 0 | 108.7 | I279 V298 | I279-K296 PolarHBondContact N-O 3.11Å; I279-K296 PolarHBondContact O-N 3.35Å; K296-V298 HydrophobicContact CD-CG1 4.19Å; K296-V298 HydrophobicContact CG-CG1 4.25Å |
| 297 | T | 88.3 | Confident | 86.5 | Confident | 75 Ų | 75 | 69.5 Ų | 69.5 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 135.8 | 170.9 | -50.5 | 0 | 0 | 0 | 0 | 109.1 | L276 K277 | L276-T297 HydrophobicContact CB-CG2 3.59Å; L276-T297 HydrophobicContact CD1-CG2 3.82Å; L276-T297 HydrophobicContact CD2-CG2 4.18Å; L276-T297 HydrophobicContact CG-CG2 4.08Å; K277-T297 WeakPolarHBondContact O-CA 3.34Å |
| 298 | V | 91.4 | Very high | 87 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 17% | 0.17 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 156.1 | 176 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | L276 K277 I279 K296 | L276-V298 WeakPolarHBondContact CA-O 3.49Å; K277-V298 HydrophobicContact CD-CG2 4.12Å; K277-V298 HydrophobicContact CG-CG2 3.43Å; K277-V298 VanDerWaalsContact CG-CG2 3.43Å; K277-V298 PolarHBondContact N-O 3.39Å; K277-V298 PolarHBondContact O-N 3.02Å; I279-V298 HydrophobicContact CD1-CG1 4.26Å; I279-V298 HydrophobicContact CD1-CG2 3.46Å; I279-V298 VanDerWaalsContact CD1-CG2 3.46Å; I279-V298 HydrophobicContact CG1-CG2 4.02Å; K296-V298 HydrophobicContact CD-CG1 4.19Å; K296-V298 HydrophobicContact CG-CG1 4.25Å |
| 299 | P | 92.1 | Very high | 87.2 | Confident | 106 Ų | 106 | 59.3 Ų | 59.3 | 69% | 0.688 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.1 | 141.9 | 172.4 | -26.4 | 35.7 | 0 | 0 | 0 | 111.9 | ||
| 300 | N | 94.2 | Very high | 87.1 | Confident | 32 Ų | 32 | 58.9 Ų | 58.9 | 17% | 0.171 | 32% | 0.323 | C | S | . | . | trans | -122.3 | 143.1 | 173.6 | -165.8 | 46.1 | 0 | 0 | 0 | 108.4 | H193 V274 T275 K277 N305 | H193-N300 PolarHBondContact CE1-ND2 3.05Å; H193-N300 PolarHBondContact NE2-ND2 2.84Å; V274-N300 PolarHBondContact O-ND2 3Å; V274-N300 VanDerWaalsContact O-ND2 3.1Å; T275-N300 PolarHBondContact O-N 3.39Å; K277-N300 HydrophobicContact CB-CB 4.06Å; K277-N300 HydrophobicContact CD-CB 4.47Å; K277-N300 WeakPolarHBondContact CD-OD1 3.41Å; K277-N300 HydrophobicContact CG-CB 4.16Å; N300-N305 PolarHBondContact O-ND2 3.33Å | ||
| 301 | D | 93.6 | Very high | 86.7 | Confident | 101 Ų | 101 | 62.1 Ų | 62.1 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | trans | -67.3 | 139.8 | 172.8 | -162.6 | 14.6 | 0 | 0 | 0 | 109.4 | H193 | H193-D301 PolarHBondContact CE1-O 3.37Å; H193-D301 PolarHBondContact NE2-O 3.01Å | ||
| 302 | S | 95.3 | Very high | 85.6 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.028 | 33% | 0.332 | C | S | . | . | trans | -176.8 | 141.2 | -171.2 | 169.1 | 0 | 0 | 0 | 0 | 109.9 | D194 V274 F304 N305 | D194-S302 WeakPolarHBondContact OD1-CB 3.42Å; D194-S302 PolarHBondContact OD1-OG 2.9Å; D194-S302 WeakPolarHBondContact OD2-CA 3.47Å; D194-S302 PolarHBondContact OD2-OG 3.01Å; V274-S302 WeakPolarHBondContact CG2-OG 3.47Å; S302-F304 PolarHBondContact O-N 3.02Å; S302-F304 VanDerWaalsContact O-N 3.16Å; S302-F304 PolarHBondContact OG-N 3.09Å; S302-F304 VanDerWaalsContact OG-N 3.13Å; S302-N305 PolarHBondContact N-ND2 3.01Å; S302-N305 VanDerWaalsContact O-CB 3.3Å; S302-N305 WeakPolarHBondContact O-CB 3.46Å; S302-N305 PolarHBondContact O-N 2.94Å; S302-N305 PolarHBondContact O-ND2 3.45Å; S302-N305 VanDerWaalsContact O-ND2 3.13Å | ||
| 303 | F | 94.9 | Very high | 84.1 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -52.4 | -36.1 | 171.1 | 168.9 | -102.7 | 0 | 0 | 0 | 112.1 | F180 M189 D194 L198 F221 N305 F306 F307 | F180-F303 HydrophobicContact CD1-CE2 4.44Å; F180-F303 HydrophobicContact CE1-CD2 4.16Å; F180-F303 HydrophobicContact CE1-CE1 4.07Å; F180-F303 AromaticContact CE1-CE2 3.58Å; F180-F303 HydrophobicContact CE1-CE2 3.58Å; F180-F303 AromaticContact CE1-CZ 3.53Å; F180-F303 HydrophobicContact CE1-CZ 3.53Å; F180-F303 HydrophobicContact CZ-CE2 4.44Å; F180-F303 HydrophobicContact CZ-CZ 4.13Å; M189-F303 HydrophobicContact CB-CD2 4.23Å; M189-F303 HydrophobicContact CE-CD2 4.1Å; M189-F303 HydrophobicContact CE-CE2 4.36Å; M189-F303 PolarHBondContact O-N 3.37Å; M189-F303 HydrophobicContact SD-CD2 4.36Å; D194-F303 PolarHBondContact OD2-N 2.87Å; L198-F303 HydrophobicContact CD1-CD1 4.42Å; L198-F303 HydrophobicContact CD2-CD1 4.22Å; L198-F303 HydrophobicContact CD2-CE1 4.19Å; F221-F303 HydrophobicContact CE1-CZ 4.19Å; F303-N305 PolarHBondContact O-N 2.9Å; F303-F306 HydrophobicContact CE2-CB 4.26Å; F303-F306 HydrophobicContact CE2-CD1 4.45Å; F303-F306 HydrophobicContact CE2-CG 4.37Å; F303-F306 HydrophobicContact CZ-CB 4.48Å; F303-F306 HydrophobicContact CZ-CD1 4.19Å; F303-F306 WeakPolarHBondContact O-CB 3.39Å; F303-F306 PolarHBondContact O-N 2.99Å; F303-F307 HydrophobicContact CE1-CE2 4.03Å |
| 304 | F | 94.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -68.2 | -8.5 | -177 | -67.4 | -84.4 | 0 | 0 | 0 | 114 | D194 V197 L198 F223 F229 L234 I266 W268 V274 T275 S302 F306 F307 | D194-F304 HydrophobicContact CB-CD2 4.4Å; D194-F304 HydrophobicContact CB-CE2 4.04Å; D194-F304 WeakPolarHBondContact OD1-CD2 3.37Å; V197-F304 HydrophobicContact CB-CE2 3.63Å; V197-F304 HydrophobicContact CB-CZ 3.53Å; V197-F304 HydrophobicContact CG1-CE1 3.92Å; V197-F304 HydrophobicContact CG1-CE2 3.75Å; V197-F304 HydrophobicContact CG1-CZ 3.24Å; V197-F304 HydrophobicContact CG2-CE2 4.04Å; V197-F304 HydrophobicContact CG2-CZ 4.38Å; L198-F304 HydrophobicContact CD2-CZ 4.25Å; L198-F304 HydrophobicContact CG-CZ 4.24Å; F223-F304 HydrophobicContact CZ-CE1 4.04Å; F223-F304 HydrophobicContact CZ-CZ 4.47Å; F229-F304 HydrophobicContact CE1-CE1 4.06Å; L234-F304 HydrophobicContact CD1-CD1 4.06Å; L234-F304 HydrophobicContact CD1-CE1 4.08Å; I266-F304 HydrophobicContact CD1-CB 3.84Å; I266-F304 HydrophobicContact CD1-CD1 3.85Å; I266-F304 HydrophobicContact CD1-CG 4.26Å; W268-F304 HydrophobicContact CH2-CB 4.2Å; W268-F304 HydrophobicContact CH2-CD1 4.18Å; W268-F304 HydrophobicContact CH2-CD2 4.06Å; W268-F304 AromaticContact CH2-CG 3.87Å; W268-F304 HydrophobicContact CH2-CG 3.87Å; W268-F304 HydrophobicContact CZ2-CB 3.91Å; W268-F304 HydrophobicContact CZ2-CD1 4.43Å; W268-F304 HydrophobicContact CZ2-CG 4.06Å; V274-F304 HydrophobicContact CG2-CD2 3.7Å; V274-F304 HydrophobicContact CG2-CE2 4.37Å; V274-F304 HydrophobicContact CG2-CG 4.42Å; T275-F304 HydrophobicContact CG2-CB 3.7Å; S302-F304 PolarHBondContact O-N 3.02Å; S302-F304 VanDerWaalsContact O-N 3.16Å; S302-F304 PolarHBondContact OG-N 3.09Å; S302-F304 VanDerWaalsContact OG-N 3.13Å; F304-F306 PolarHBondContact O-N 3.24Å; F304-F307 HydrophobicContact CD1-CD2 4.15Å; F304-F307 HydrophobicContact CD1-CE2 4.04Å; F304-F307 PolarHBondContact O-N 3.27Å |
| 305 | N | 92.3 | Very high | 80.9 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 31% | 0.305 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -63.2 | -22 | 165.7 | -68.1 | -42.3 | 0 | 0 | 0 | 112.1 | T275 N300 S302 F303 F307 T308 | T275-N305 WeakPolarHBondContact CB-OD1 3.32Å; N300-N305 PolarHBondContact O-ND2 3.33Å; S302-N305 PolarHBondContact N-ND2 3.01Å; S302-N305 VanDerWaalsContact O-CB 3.3Å; S302-N305 WeakPolarHBondContact O-CB 3.46Å; S302-N305 PolarHBondContact O-N 2.94Å; S302-N305 PolarHBondContact O-ND2 3.45Å; S302-N305 VanDerWaalsContact O-ND2 3.13Å; F303-N305 PolarHBondContact O-N 2.9Å; N305-F307 PolarHBondContact O-N 3.23Å; N305-T308 CarbonylContact O-C 3.49Å; N305-T308 VanDerWaalsContact O-C 3.24Å; N305-T308 WeakPolarHBondContact O-CA 3.34Å; N305-T308 PolarHBondContact O-N 3.33Å |
| 306 | F | 92.1 | Very high | 79.2 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -51.2 | -37.9 | 170.6 | -177.9 | -112.5 | 0 | 0 | 0 | 112.4 | M189 L219 F221 K236 Y238 F303 F304 T308 I333 I337 | M189-F306 HydrophobicContact CE-CB 4.23Å; M189-F306 HydrophobicContact CE-CD2 4.15Å; L219-F306 HydrophobicContact CD1-CE1 4.46Å; L219-F306 HydrophobicContact CD1-CZ 4.18Å; F221-F306 AromaticContact CE2-CE1 3.99Å; F221-F306 HydrophobicContact CE2-CE1 3.99Å; F221-F306 HydrophobicContact CZ-CD1 4.46Å; F221-F306 AromaticContact CZ-CE1 3.9Å; F221-F306 HydrophobicContact CZ-CE1 3.9Å; K236-F306 HydrophobicContact CB-CE1 4.41Å; K236-F306 HydrophobicContact CD-CD1 3.78Å; K236-F306 HydrophobicContact CD-CD2 4.21Å; K236-F306 HydrophobicContact CD-CE1 3.4Å; K236-F306 HydrophobicContact CD-CE2 3.88Å; K236-F306 HydrophobicContact CD-CG 4.18Å; K236-F306 HydrophobicContact CD-CZ 3.47Å; K236-F306 VanDerWaalsContact CD-CZ 3.47Å; K236-F306 WeakPolarHBondContact CD-O 3.28Å; K236-F306 WeakPolarHBondContact CE-O 3.43Å; Y238-F306 VanDerWaalsContact OH-CE2 3.26Å; Y238-F306 WeakPolarHBondContact OH-CE2 3.16Å; Y238-F306 VanDerWaalsContact OH-CZ 3.27Å; Y238-F306 WeakPolarHBondContact OH-CZ 3.47Å; F303-F306 HydrophobicContact CE2-CB 4.26Å; F303-F306 HydrophobicContact CE2-CD1 4.45Å; F303-F306 HydrophobicContact CE2-CG 4.37Å; F303-F306 HydrophobicContact CZ-CB 4.48Å; F303-F306 HydrophobicContact CZ-CD1 4.19Å; F303-F306 WeakPolarHBondContact O-CB 3.39Å; F303-F306 PolarHBondContact O-N 2.99Å; F304-F306 PolarHBondContact O-N 3.24Å; F306-T308 PolarHBondContact O-N 2.93Å; F306-I333 HydrophobicContact CD2-CG2 4.35Å; F306-I333 HydrophobicContact CE2-CB 4.3Å; F306-I333 HydrophobicContact CE2-CG2 3.74Å; F306-I333 HydrophobicContact CZ-CG2 4.26Å; F306-I337 HydrophobicContact CZ-CD1 4.26Å |
| 307 | F | 91.6 | Very high | 77.8 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 0% | 0.004 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -79 | -3.7 | 178.3 | -60.6 | -75.3 | 0 | 0 | 0 | 114.1 | F221 L234 K236 C264 I266 F303 F304 N305 | F221-F307 HydrophobicContact CB-CZ 4.24Å; F221-F307 HydrophobicContact CD1-CZ 4.21Å; F221-F307 AromaticContact CD2-CE1 3.52Å; F221-F307 HydrophobicContact CD2-CE1 3.52Å; F221-F307 AromaticContact CD2-CZ 3.5Å; F221-F307 HydrophobicContact CD2-CZ 3.5Å; F221-F307 HydrophobicContact CE1-CZ 4.45Å; F221-F307 AromaticContact CE2-CE1 3.77Å; F221-F307 HydrophobicContact CE2-CE1 3.77Å; F221-F307 AromaticContact CE2-CZ 3.8Å; F221-F307 HydrophobicContact CE2-CZ 3.8Å; F221-F307 HydrophobicContact CG-CE1 4.2Å; F221-F307 AromaticContact CG-CZ 3.74Å; F221-F307 HydrophobicContact CG-CZ 3.74Å; F221-F307 HydrophobicContact CZ-CZ 4.26Å; L234-F307 HydrophobicContact CB-CD1 3.9Å; L234-F307 HydrophobicContact CB-CD2 4.49Å; L234-F307 HydrophobicContact CB-CE1 3.53Å; L234-F307 HydrophobicContact CB-CE2 4.17Å; L234-F307 HydrophobicContact CB-CG 4.36Å; L234-F307 HydrophobicContact CB-CZ 3.68Å; L234-F307 HydrophobicContact CD1-CD2 3.95Å; L234-F307 HydrophobicContact CD1-CE2 3.73Å; L234-F307 HydrophobicContact CD1-CG 4.46Å; L234-F307 HydrophobicContact CD1-CZ 4.07Å; K236-F307 HydrophobicContact CB-CD1 4.46Å; C264-F307 HydrophobicContact CB-CB 4.29Å; C264-F307 HydrophobicContact CB-CD1 4.31Å; C264-F307 PolarHBondContact N-O 3.22Å; I266-F307 HydrophobicContact CD1-CB 4.25Å; I266-F307 HydrophobicContact CD1-CD2 4.05Å; I266-F307 HydrophobicContact CD1-CG 4.47Å; I266-F307 HydrophobicContact CG1-CB 4.48Å; F303-F307 HydrophobicContact CE1-CE2 4.03Å; F304-F307 HydrophobicContact CD1-CD2 4.15Å; F304-F307 HydrophobicContact CD1-CE2 4.04Å; F304-F307 PolarHBondContact O-N 3.27Å; N305-F307 PolarHBondContact O-N 3.23Å |
| 308 | T | 85.8 | Confident | 76.7 | Confident | 53 Ų | 53 | 66.9 Ų | 66.9 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -128.2 | 57.6 | -179 | -37.7 | 0 | 0 | 0 | 0 | 110.7 | R263 N305 F306 | R263-T308 HydrophobicContact CG-CG2 4.36Å; N305-T308 CarbonylContact O-C 3.49Å; N305-T308 VanDerWaalsContact O-C 3.24Å; N305-T308 WeakPolarHBondContact O-CA 3.34Å; N305-T308 PolarHBondContact O-N 3.33Å; F306-T308 PolarHBondContact O-N 2.93Å |
| 309 | P | 78.3 | Confident | 75.7 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 18% | 0.175 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 155.9 | -179.4 | 28.2 | -34.7 | 0 | 0 | 0 | 110.7 | C260 E311 L327 | C260-P309 HydrophobicContact CB-CG 4.31Å; C260-P309 WeakPolarHBondContact SG-CG 3.4Å; P309-E311 PolarHBondContact O-N 3.49Å; P309-L327 HydrophobicContact CB-CD2 4.27Å |
| 310 | P | 74.2 | Confident | 75.2 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 25% | 0.247 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 140.5 | 169.3 | -24.1 | 33.7 | 0 | 0 | 0 | 110.6 | A312 I326 | P310-A312 PolarHBondContact O-N 2.98Å; P310-A312 VanDerWaalsContact O-N 3.14Å; P310-I326 HydrophobicContact CG-CB 4.26Å; P310-I326 HydrophobicContact CG-CG2 3.68Å |
| 311 | E | 64.8 | Low | 74.9 | Confident | 143 Ų | 143 | 72.8 Ų | 72.8 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 117.7 | 174.4 | -73.8 | -179.8 | -175.6 | 0 | 0 | 108.3 | R263 P309 V313 | R263-E311 IonicContact NH1-OE1 3.91Å; P309-E311 PolarHBondContact O-N 3.49Å; E311-V313 PolarHBondContact O-N 3.42Å |
| 312 | A | 55.3 | Low | 74.5 | Confident | 55 Ų | 55 | 73.7 Ų | 73.7 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 127.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | P310 | P310-A312 PolarHBondContact O-N 2.98Å; P310-A312 VanDerWaalsContact O-N 3.14Å |
| 313 | V | 52.1 | Low | 74 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 33% | 0.327 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 140.5 | -162.5 | -144.5 | 0 | 0 | 0 | 0 | 112.3 | E311 G317 L319 | E311-V313 PolarHBondContact O-N 3.42Å; V313-G317 VanDerWaalsContact CB-O 3.27Å; V313-G317 WeakPolarHBondContact CB-O 3.24Å; V313-G317 VanDerWaalsContact CG1-O 3.24Å; V313-G317 WeakPolarHBondContact CG1-O 3.45Å; V313-G317 VanDerWaalsContact CG2-O 3.25Å; V313-G317 WeakPolarHBondContact CG2-O 3.4Å; V313-L319 HydrophobicContact CG2-CB 4.22Å; V313-L319 HydrophobicContact CG2-CD1 4.3Å; V313-L319 HydrophobicContact CG2-CD2 3.48Å; V313-L319 VanDerWaalsContact CG2-CD2 3.48Å; V313-L319 HydrophobicContact CG2-CG 3.32Å |
| 314 | P | 48.2 | Very low | 73.5 | Confident | 104 Ų | 104 | 79.6 Ų | 79.6 | 68% | 0.675 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 145.4 | 159.1 | 23.1 | -32.3 | 0 | 0 | 0 | 109.7 | N316 G317 | P314-N316 PolarHBondContact O-N 3.1Å; P314-G317 PolarHBondContact O-N 3.49Å |
| 315 | E | 48.5 | Very low | 73.2 | Confident | 196 Ų | 196 | 82.5 Ų | 82.5 | 92% | 0.916 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -29.5 | -9.2 | -172.4 | -111.1 | 171.8 | 168.5 | 0 | 0 | 120.9 | ||
| 316 | N | 49.4 | Very low | 72.9 | Confident | 164 Ų | 164 | 84.3 Ų | 84.3 | 88% | 0.877 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.2 | 24.8 | -170.5 | -57.7 | -41.4 | 0 | 0 | 0 | 115.4 | P314 | P314-N316 PolarHBondContact O-N 3.1Š|
| 317 | G | 57.7 | Low | 72.7 | Confident | 43 Ų | 43 | 84.5 Ų | 84.5 | 44% | 0.443 | 47% | 0.466 | S | S | . | . | trans | -138.6 | 151.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V313 P314 | V313-G317 VanDerWaalsContact CB-O 3.27Å; V313-G317 WeakPolarHBondContact CB-O 3.24Å; V313-G317 VanDerWaalsContact CG1-O 3.24Å; V313-G317 WeakPolarHBondContact CG1-O 3.45Å; V313-G317 VanDerWaalsContact CG2-O 3.25Å; V313-G317 WeakPolarHBondContact CG2-O 3.4Å; P314-G317 PolarHBondContact O-N 3.49Å | ||
| 318 | E | 64.4 | Low | 72.6 | Confident | 191 Ų | 191 | 87.3 Ų | 87.3 | 89% | 0.893 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -83.8 | 143.9 | 166.3 | -68.3 | 169.1 | -177.8 | 0 | 0 | 108.3 | ||
| 319 | L | 69.4 | Low | 72.8 | Confident | 38 Ų | 38 | 86.7 Ų | 86.7 | 20% | 0.199 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 151.7 | 167.3 | -74.4 | 173 | 0 | 0 | 0 | 108.2 | V313 E324 L327 | V313-L319 HydrophobicContact CG2-CB 4.22Å; V313-L319 HydrophobicContact CG2-CD1 4.3Å; V313-L319 HydrophobicContact CG2-CD2 3.48Å; V313-L319 VanDerWaalsContact CG2-CD2 3.48Å; V313-L319 HydrophobicContact CG2-CG 3.32Å; L319-E324 HydrophobicContact CB-CG 3.48Å; L319-E324 VanDerWaalsContact CB-CG 3.48Å; L319-E324 HydrophobicContact CD1-CG 4.11Å; L319-E324 HydrophobicContact CG-CG 4.4Å; L319-L327 HydrophobicContact CD1-CD1 3.39Å |
| 320 | D | 83.6 | Confident | 73.4 | Confident | 87 Ų | 87 | 86 Ų | 86 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 154.5 | 163.9 | 63.1 | 101.7 | 0 | 0 | 0 | 110.2 | D322 S323 E324 | D320-D322 PolarHBondContact O-N 2.97Å; D320-D322 VanDerWaalsContact O-N 3.16Å; D320-D322 WeakPolarHBondContact OD1-CB 3.46Å; D320-D322 PolarHBondContact OD1-N 2.73Å; D320-S323 WeakPolarHBondContact O-CA 3.46Å; D320-S323 WeakPolarHBondContact O-CB 3.5Å; D320-S323 PolarHBondContact O-N 3.49Å; D320-S323 PolarHBondContact OD1-N 3.13Å; D320-S323 PolarHBondContact OD1-OG 2.98Å; D320-S323 WeakPolarHBondContact OD2-CB 3.5Å; D320-S323 PolarHBondContact OD2-OG 3.43Å; D320-E324 PolarHBondContact O-N 3.34Å |
| 321 | E | 86.1 | Confident | 74.3 | Confident | 164 Ų | 164 | 86.1 Ų | 86.1 | 77% | 0.766 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -53.3 | -36.8 | -176.4 | -171.3 | 175.5 | -174.4 | 0 | 0 | 112.7 | E324 A325 | E321-E324 PolarHBondContact O-N 3.26Å; E321-A325 WeakPolarHBondContact O-CB 3.38Å; E321-A325 PolarHBondContact O-N 3.29Å |
| 322 | D | 85.6 | Confident | 75.6 | Confident | 121 Ų | 121 | 85.2 Ų | 85.2 | 65% | 0.647 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67 | -42.8 | 177.4 | -60.8 | -24.7 | 0 | 0 | 0 | 111 | D320 A325 I326 | D320-D322 PolarHBondContact O-N 2.97Å; D320-D322 VanDerWaalsContact O-N 3.16Å; D320-D322 WeakPolarHBondContact OD1-CB 3.46Å; D320-D322 PolarHBondContact OD1-N 2.73Å; D322-A325 PolarHBondContact O-N 3.44Å; D322-I326 WeakPolarHBondContact O-CD1 3.46Å; D322-I326 WeakPolarHBondContact O-CG1 3.14Å; D322-I326 PolarHBondContact O-N 3.23Å |
| 323 | S | 84.1 | Confident | 77.4 | Confident | 23 Ų | 23 | 83 Ų | 83 | 16% | 0.161 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66 | -35.8 | 176.7 | -65.8 | 0 | 0 | 0 | 0 | 112.6 | D320 L327 | D320-S323 WeakPolarHBondContact O-CA 3.46Å; D320-S323 WeakPolarHBondContact O-CB 3.5Å; D320-S323 PolarHBondContact O-N 3.49Å; D320-S323 PolarHBondContact OD1-N 3.13Å; D320-S323 PolarHBondContact OD1-OG 2.98Å; D320-S323 WeakPolarHBondContact OD2-CB 3.5Å; D320-S323 PolarHBondContact OD2-OG 3.43Å; S323-L327 PolarHBondContact O-N 3.34Å; S323-L327 VanDerWaalsContact O-N 3.13Å |
| 324 | E | 85.4 | Confident | 79.4 | Confident | 105 Ų | 105 | 80.4 Ų | 80.4 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.3 | -46.5 | 174.3 | -67.2 | -174.4 | 170.2 | 0 | 0 | 111.4 | L319 D320 E321 I326 L327 A328 | L319-E324 HydrophobicContact CB-CG 3.48Å; L319-E324 VanDerWaalsContact CB-CG 3.48Å; L319-E324 HydrophobicContact CD1-CG 4.11Å; L319-E324 HydrophobicContact CG-CG 4.4Å; D320-E324 PolarHBondContact O-N 3.34Å; E321-E324 PolarHBondContact O-N 3.26Å; E324-I326 VanDerWaalsContact C-N 3.33Å; E324-I326 PolarHBondContact O-N 3.05Å; E324-L327 PolarHBondContact O-N 2.69Å; E324-A328 PolarHBondContact O-N 2.91Å |
| 325 | A | 87.4 | Confident | 81.6 | Confident | 62 Ų | 62 | 80 Ų | 80 | 51% | 0.512 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E321 D322 L327 A328 A329 | E321-A325 WeakPolarHBondContact O-CB 3.38Å; E321-A325 PolarHBondContact O-N 3.29Å; D322-A325 PolarHBondContact O-N 3.44Å; A325-L327 PolarHBondContact O-N 2.84Å; A325-A328 PolarHBondContact O-N 3.5Å; A325-A329 PolarHBondContact O-N 3.11Å |
| 326 | I | 86.9 | Confident | 83.8 | Confident | 94 Ų | 94 | 72.9 Ų | 72.9 | 48% | 0.482 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.5 | -68.5 | 163.7 | 0 | 0 | 0 | 111.3 | P310 D322 E324 D330 | P310-I326 HydrophobicContact CG-CB 4.26Å; P310-I326 HydrophobicContact CG-CG2 3.68Å; D322-I326 WeakPolarHBondContact O-CD1 3.46Å; D322-I326 WeakPolarHBondContact O-CG1 3.14Å; D322-I326 PolarHBondContact O-N 3.23Å; E324-I326 VanDerWaalsContact C-N 3.33Å; E324-I326 PolarHBondContact O-N 3.05Å; I326-D330 VanDerWaalsContact O-CB 3.29Å; I326-D330 WeakPolarHBondContact O-CB 3.48Å; I326-D330 PolarHBondContact O-N 3.35Å |
| 327 | L | 88 | Confident | 86 | Confident | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 178 | -76.1 | 179.2 | 0 | 0 | 0 | 112.6 | P309 L319 S323 E324 A325 D330 F331 | P309-L327 HydrophobicContact CB-CD2 4.27Å; L319-L327 HydrophobicContact CD1-CD1 3.39Å; S323-L327 PolarHBondContact O-N 3.34Å; S323-L327 VanDerWaalsContact O-N 3.13Å; E324-L327 PolarHBondContact O-N 2.69Å; A325-L327 PolarHBondContact O-N 2.84Å; L327-D330 WeakPolarHBondContact O-CB 3.44Å; L327-D330 PolarHBondContact O-N 3.14Å; L327-F331 HydrophobicContact CD2-CE1 4.4Å; L327-F331 VanDerWaalsContact O-CD1 3.28Å; L327-F331 WeakPolarHBondContact O-CD1 3.23Å; L327-F331 WeakPolarHBondContact O-CG 3.49Å; L327-F331 PolarHBondContact O-N 3.09Å |
| 328 | A | 88.8 | Confident | 87.7 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 49% | 0.488 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.3 | -49 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E324 A325 D330 F331 E332 | E324-A328 PolarHBondContact O-N 2.91Å; A325-A328 PolarHBondContact O-N 3.5Å; A328-D330 PolarHBondContact O-N 3.33Å; A328-F331 PolarHBondContact O-N 3.23Å; A328-E332 PolarHBondContact O-N 3.43Å |
| 329 | A | 90.3 | Very high | 89.1 | Confident | 41 Ų | 41 | 58 Ų | 58 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A325 F331 E332 I333 | A325-A329 PolarHBondContact O-N 3.11Å; A329-F331 VanDerWaalsContact C-N 3.26Å; A329-F331 PolarHBondContact O-N 2.87Å; A329-E332 PolarHBondContact O-N 3.45Å; A329-I333 WeakPolarHBondContact O-CB 3.47Å; A329-I333 VanDerWaalsContact O-CD1 3.27Å; A329-I333 WeakPolarHBondContact O-CD1 3.36Å; A329-I333 VanDerWaalsContact O-CG1 3.23Å; A329-I333 WeakPolarHBondContact O-CG1 2.8Å; A329-I333 PolarHBondContact O-N 3.42Å |
| 330 | D | 91.5 | Very high | 90.3 | Very high | 11 Ų | 11 | 61.4 Ų | 61.4 | 6% | 0.059 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -34.9 | 177.4 | 175.6 | 81.7 | 0 | 0 | 0 | 113.4 | K236 Y238 I326 L327 A328 G334 | K236-D330 WeakPolarHBondContact CE-OD1 3.29Å; K236-D330 IonicContact NZ-OD1 2.71Å; K236-D330 PolarHBondContact NZ-OD1 3.24Å; K236-D330 IonicContact NZ-OD2 3.64Å; K236-D330 PolarHBondContact NZ-OD2 3.18Å; Y238-D330 WeakPolarHBondContact CE1-OD2 3.29Å; Y238-D330 PolarHBondContact OH-O 2.87Å; I326-D330 VanDerWaalsContact O-CB 3.29Å; I326-D330 WeakPolarHBondContact O-CB 3.48Å; I326-D330 PolarHBondContact O-N 3.35Å; L327-D330 WeakPolarHBondContact O-CB 3.44Å; L327-D330 PolarHBondContact O-N 3.14Å; A328-D330 PolarHBondContact O-N 3.33Å; D330-G334 PolarHBondContact O-N 2.78Å |
| 331 | F | 91.9 | Very high | 90.9 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 18% | 0.184 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.3 | -43.6 | 177 | -67.2 | -3.1 | 0 | 0 | 0 | 111.2 | Y238 I257 C260 L327 A328 A329 G334 H335 | Y238-F331 HydrophobicContact CD1-CD1 4.12Å; Y238-F331 HydrophobicContact CD1-CE1 4.45Å; Y238-F331 AromaticContact CE1-CD1 3.85Å; Y238-F331 HydrophobicContact CE1-CD1 3.85Å; Y238-F331 HydrophobicContact CE1-CE1 4.39Å; I257-F331 HydrophobicContact CB-CB 4.2Å; I257-F331 HydrophobicContact CB-CD1 4.39Å; I257-F331 HydrophobicContact CB-CD2 3.92Å; I257-F331 HydrophobicContact CB-CE2 4.39Å; I257-F331 HydrophobicContact CB-CG 3.91Å; I257-F331 HydrophobicContact CD1-CB 4.05Å; I257-F331 WeakPolarHBondContact CD1-O 3.47Å; I257-F331 HydrophobicContact CG2-CB 4.23Å; I257-F331 HydrophobicContact CG2-CD1 3.53Å; I257-F331 HydrophobicContact CG2-CD2 3.76Å; I257-F331 HydrophobicContact CG2-CE1 3.71Å; I257-F331 HydrophobicContact CG2-CE2 3.93Å; I257-F331 HydrophobicContact CG2-CG 3.55Å; I257-F331 HydrophobicContact CG2-CZ 3.91Å; I257-F331 WeakPolarHBondContact O-CD2 3.46Å; I257-F331 WeakPolarHBondContact O-CE2 3.4Å; C260-F331 HydrophobicContact CB-CE1 4.35Å; L327-F331 HydrophobicContact CD2-CE1 4.4Å; L327-F331 VanDerWaalsContact O-CD1 3.28Å; L327-F331 WeakPolarHBondContact O-CD1 3.23Å; L327-F331 WeakPolarHBondContact O-CG 3.49Å; L327-F331 PolarHBondContact O-N 3.09Å; A328-F331 PolarHBondContact O-N 3.23Å; A329-F331 VanDerWaalsContact C-N 3.26Å; A329-F331 PolarHBondContact O-N 2.87Å; F331-G334 PolarHBondContact O-N 3.4Å; F331-H335 WeakPolarHBondContact O-CB 3.33Å; F331-H335 PolarHBondContact O-N 3.01Å |
| 332 | E | 92.9 | Very high | 91.4 | Very high | 123 Ų | 123 | 49.6 Ų | 49.6 | 58% | 0.575 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.2 | -49.9 | 174.5 | -178.7 | 173.3 | -159.7 | 0 | 0 | 111.3 | L185 A328 A329 G334 H335 F336 | L185-E332 HydrophobicContact CD2-CG 4.49Å; A328-E332 PolarHBondContact O-N 3.43Å; A329-E332 PolarHBondContact O-N 3.45Å; E332-G334 VanDerWaalsContact C-N 3.34Å; E332-G334 PolarHBondContact O-N 3.25Å; E332-H335 PolarHBondContact O-N 3.48Å; E332-F336 VanDerWaalsContact O-CB 3.29Å; E332-F336 WeakPolarHBondContact O-CB 3.45Å; E332-F336 PolarHBondContact O-N 2.87Å |
| 333 | I | 93.3 | Very high | 91.9 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 5% | 0.046 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 176.6 | -66.6 | 154.7 | 0 | 0 | 0 | 110.9 | L185 L186 M189 F306 A329 H335 F336 I337 | L185-I333 HydrophobicContact CD1-CG1 4.12Å; L185-I333 HydrophobicContact CD2-CG1 4Å; L185-I333 HydrophobicContact CG-CG1 3.99Å; L186-I333 HydrophobicContact CD2-CG2 3.95Å; M189-I333 HydrophobicContact CE-CD1 3.73Å; M189-I333 HydrophobicContact CG-CD1 4.34Å; M189-I333 HydrophobicContact SD-CD1 3.29Å; M189-I333 WeakPolarHBondContact SD-CD1 3.48Å; M189-I333 HydrophobicContact SD-CG1 3.98Å; M189-I333 HydrophobicContact SD-CG2 4.06Å; F306-I333 HydrophobicContact CD2-CG2 4.35Å; F306-I333 HydrophobicContact CE2-CB 4.3Å; F306-I333 HydrophobicContact CE2-CG2 3.74Å; F306-I333 HydrophobicContact CZ-CG2 4.26Å; A329-I333 WeakPolarHBondContact O-CB 3.47Å; A329-I333 VanDerWaalsContact O-CD1 3.27Å; A329-I333 WeakPolarHBondContact O-CD1 3.36Å; A329-I333 VanDerWaalsContact O-CG1 3.23Å; A329-I333 WeakPolarHBondContact O-CG1 2.8Å; A329-I333 PolarHBondContact O-N 3.42Å; I333-H335 VanDerWaalsContact C-N 3.34Å; I333-H335 PolarHBondContact O-N 3.47Å; I333-F336 PolarHBondContact O-N 3.36Å; I333-I337 HydrophobicContact CG2-CD1 3.85Å; I333-I337 HydrophobicContact CG2-CG1 4.38Å; I333-I337 WeakPolarHBondContact O-CG1 3.45Å; I333-I337 PolarHBondContact O-N 2.93Å |
| 334 | G | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y238 D330 F331 E332 R338 | Y238-G334 WeakPolarHBondContact OH-CA 3.46Å; D330-G334 PolarHBondContact O-N 2.78Å; F331-G334 PolarHBondContact O-N 3.4Å; E332-G334 VanDerWaalsContact C-N 3.34Å; E332-G334 PolarHBondContact O-N 3.25Å; G334-R338 WeakPolarHBondContact O-CB 3.28Å; G334-R338 PolarHBondContact O-N 2.73Å |
| 335 | H | 93.3 | Very high | 92.9 | Very high | 96 Ų | 96 | 46.8 Ų | 46.8 | 44% | 0.444 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 175 | -178.4 | 76.3 | 0 | 0 | 0 | 111.4 | I257 F331 E332 I333 I337 R338 E339 | I257-H335 HydrophobicContact CD1-CB 4.4Å; F331-H335 WeakPolarHBondContact O-CB 3.33Å; F331-H335 PolarHBondContact O-N 3.01Å; E332-H335 PolarHBondContact O-N 3.48Å; I333-H335 VanDerWaalsContact C-N 3.34Å; I333-H335 PolarHBondContact O-N 3.47Å; H335-I337 PolarHBondContact O-N 3.24Å; H335-R338 WeakPolarHBondContact O-CB 3.47Å; H335-R338 PolarHBondContact O-N 3.05Å; H335-E339 WeakPolarHBondContact O-CB 3.4Å; H335-E339 PolarHBondContact O-N 3.49Å |
| 336 | F | 94.9 | Very high | 93.4 | Very high | 46 Ų | 46 | 47.7 Ų | 47.7 | 20% | 0.202 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | -179.5 | -169.7 | -104.9 | 0 | 0 | 0 | 112.6 | V183 L185 E332 I333 R338 R340 I341 | V183-F336 HydrophobicContact CG1-CD1 4.41Å; V183-F336 HydrophobicContact CG1-CE1 3.54Å; V183-F336 HydrophobicContact CG1-CZ 4.3Å; L185-F336 HydrophobicContact CD2-CB 4.13Å; L185-F336 HydrophobicContact CD2-CD1 4.06Å; L185-F336 HydrophobicContact CD2-CG 4.07Å; E332-F336 VanDerWaalsContact O-CB 3.29Å; E332-F336 WeakPolarHBondContact O-CB 3.45Å; E332-F336 PolarHBondContact O-N 2.87Å; I333-F336 PolarHBondContact O-N 3.36Å; F336-R338 VanDerWaalsContact C-N 3.3Å; F336-R338 PolarHBondContact O-N 2.84Å; F336-R340 HydrophobicContact CD2-CB 4.02Å; F336-R340 HydrophobicContact CD2-CG 3.78Å; F336-R340 HydrophobicContact CE2-CB 3.84Å; F336-R340 HydrophobicContact CE2-CG 3.68Å; F336-R340 HydrophobicContact CG-CB 4.45Å; F336-R340 HydrophobicContact CZ-CB 4.11Å; F336-R340 HydrophobicContact CZ-CG 4.42Å; F336-R340 WeakPolarHBondContact O-CA 3.36Å; F336-R340 WeakPolarHBondContact O-CB 3.29Å; F336-R340 PolarHBondContact O-N 2.67Å; F336-I341 HydrophobicContact CD1-CD1 4.18Å; F336-I341 HydrophobicContact CD1-CG1 3.81Å; F336-I341 HydrophobicContact CE1-CD1 3.64Å; F336-I341 HydrophobicContact CE1-CG1 3.8Å; F336-I341 HydrophobicContact CZ-CD1 4.46Å; F336-I341 PolarHBondContact O-N 3.49Å |
| 337 | I | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -60.5 | -44 | 175.6 | -68.4 | 170.5 | 0 | 0 | 0 | 110.7 | L186 I204 L219 F221 F306 I333 H335 V342 | L186-I337 HydrophobicContact CD2-CD1 4.15Å; L186-I337 HydrophobicContact CD2-CG1 4.19Å; I204-I337 HydrophobicContact CG2-CG2 4.07Å; L219-I337 HydrophobicContact CD1-CB 4.02Å; L219-I337 HydrophobicContact CD1-CD1 4.24Å; L219-I337 HydrophobicContact CD1-CG2 3.95Å; L219-I337 HydrophobicContact CD2-CG2 4.04Å; F221-I337 HydrophobicContact CZ-CD1 4.17Å; F306-I337 HydrophobicContact CZ-CD1 4.26Å; I333-I337 HydrophobicContact CG2-CD1 3.85Å; I333-I337 HydrophobicContact CG2-CG1 4.38Å; I333-I337 WeakPolarHBondContact O-CG1 3.45Å; I333-I337 PolarHBondContact O-N 2.93Å; H335-I337 PolarHBondContact O-N 3.24Å; I337-V342 HydrophobicContact CG2-CG2 4.09Å; I337-V342 WeakPolarHBondContact O-CG2 3.42Å; I337-V342 PolarHBondContact O-N 3.28Å |
| 338 | R | 94.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 5% | 0.045 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -65 | -50.3 | -179.4 | 165.7 | -176.9 | 152.3 | 177.3 | -1.4 | 112.2 | E104 V206 F217 L219 M240 G334 H335 F336 P343 | E104-R338 IonicContact OE1-NH2 2.99Å; E104-R338 PolarHBondContact OE1-NH2 2.83Å; E104-R338 IonicContact OE2-CZ 3.86Å; E104-R338 IonicContact OE2-NH2 2.79Å; E104-R338 PolarHBondContact OE2-NH2 3.14Å; V206-R338 HydrophobicContact CG1-CG 4Å; V206-R338 HydrophobicContact CG2-CB 4.32Å; V206-R338 HydrophobicContact CG2-CG 4.39Å; F217-R338 HydrophobicContact CD2-CB 4.22Å; F217-R338 HydrophobicContact CD2-CG 4.32Å; F217-R338 HydrophobicContact CE2-CB 3.9Å; F217-R338 HydrophobicContact CE2-CG 4.38Å; F217-R338 HydrophobicContact CZ-CB 4.46Å; L219-R338 HydrophobicContact CD2-CB 4.26Å; M240-R338 PolarHBondContact SD-NH1 3.25Å; G334-R338 WeakPolarHBondContact O-CB 3.28Å; G334-R338 PolarHBondContact O-N 2.73Å; H335-R338 WeakPolarHBondContact O-CB 3.47Å; H335-R338 PolarHBondContact O-N 3.05Å; F336-R338 VanDerWaalsContact C-N 3.3Å; F336-R338 PolarHBondContact O-N 2.84Å; R338-P343 WeakPolarHBondContact O-CD 3.29Å |
| 339 | E | 93.2 | Very high | 94.4 | Very high | 72 Ų | 72 | 46 Ų | 46 | 34% | 0.336 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -90.2 | -30.9 | -167.9 | -69.9 | -59.8 | 144.2 | 0 | 0 | 113.5 | H335 | H335-E339 WeakPolarHBondContact O-CB 3.4Å; H335-E339 PolarHBondContact O-N 3.49Å |
| 340 | R | 93.9 | Very high | 94.6 | Very high | 111 Ų | 111 | 47.6 Ų | 47.6 | 42% | 0.419 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -110.5 | -57.3 | -174.3 | -62.3 | -67.3 | -172.6 | 130.2 | 0.7 | 112 | F336 R344 Y348 | F336-R340 HydrophobicContact CD2-CB 4.02Å; F336-R340 HydrophobicContact CD2-CG 3.78Å; F336-R340 HydrophobicContact CE2-CB 3.84Å; F336-R340 HydrophobicContact CE2-CG 3.68Å; F336-R340 HydrophobicContact CG-CB 4.45Å; F336-R340 HydrophobicContact CZ-CB 4.11Å; F336-R340 HydrophobicContact CZ-CG 4.42Å; F336-R340 WeakPolarHBondContact O-CA 3.36Å; F336-R340 WeakPolarHBondContact O-CB 3.29Å; F336-R340 PolarHBondContact O-N 2.67Å; R340-R344 WeakPolarHBondContact O-CB 3.36Å; R340-R344 PolarHBondContact O-N 2.99Å; R340-Y348 HydrophobicContact CB-CE2 4.45Å |
| 341 | I | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -67.5 | -55.8 | -169.6 | -59.2 | -66.5 | 0 | 0 | 0 | 112.1 | W176 V179 V183 L186 F336 R344 A345 Y348 | W176-I341 HydrophobicContact CZ3-CG2 4.12Å; V179-I341 HydrophobicContact CG1-CD1 4.47Å; V179-I341 HydrophobicContact CG1-CG2 3.8Å; V183-I341 HydrophobicContact CB-CD1 4.34Å; V183-I341 HydrophobicContact CG1-CD1 4.04Å; V183-I341 HydrophobicContact CG2-CD1 3.51Å; L186-I341 HydrophobicContact CD1-CD1 4.12Å; L186-I341 HydrophobicContact CD1-CG1 4.13Å; F336-I341 HydrophobicContact CD1-CD1 4.18Å; F336-I341 HydrophobicContact CD1-CG1 3.81Å; F336-I341 HydrophobicContact CE1-CD1 3.64Å; F336-I341 HydrophobicContact CE1-CG1 3.8Å; F336-I341 HydrophobicContact CZ-CD1 4.46Å; F336-I341 PolarHBondContact O-N 3.49Å; I341-R344 CarbonylContact O-C 3.29Å; I341-R344 PolarHBondContact O-N 3.37Å; I341-A345 WeakPolarHBondContact O-CA 3.28Å; I341-A345 WeakPolarHBondContact O-CB 3.39Å; I341-A345 PolarHBondContact O-N 2.86Å; I341-Y348 HydrophobicContact CD1-CD1 4.3Å; I341-Y348 HydrophobicContact CD1-CD2 3.82Å; I341-Y348 HydrophobicContact CD1-CE1 4.26Å; I341-Y348 HydrophobicContact CD1-CE2 3.79Å; I341-Y348 HydrophobicContact CD1-CG 4.08Å |
| 342 | V | 96.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | -174.9 | 170.1 | 0 | 0 | 0 | 0 | 112.2 | F115 R118 I204 V206 I337 R344 | F115-V342 HydrophobicContact CD2-CG1 4.4Å; F115-V342 HydrophobicContact CE2-CG1 4.19Å; R118-V342 PolarHBondContact NH1-O 3.13Å; I204-V342 HydrophobicContact CB-CG2 4.1Å; I204-V342 HydrophobicContact CG2-CG2 3.71Å; V206-V342 HydrophobicContact CG2-CB 4.07Å; V206-V342 HydrophobicContact CG2-CG1 4.08Å; V206-V342 HydrophobicContact CG2-CG2 3.99Å; I337-V342 HydrophobicContact CG2-CG2 4.09Å; I337-V342 WeakPolarHBondContact O-CG2 3.42Å; I337-V342 PolarHBondContact O-N 3.28Å; V342-R344 VanDerWaalsContact C-N 3.34Å; V342-R344 PolarHBondContact O-N 3.38Å |
| 343 | P | 96.1 | Very high | 94 | Very high | 63 Ų | 63 | 48 Ų | 48 | 41% | 0.409 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.2 | -30.8 | 178.2 | -24.4 | 36.7 | 0 | 0 | 0 | 114.3 | F115 R338 | F115-P343 HydrophobicContact CZ-CB 4.45Å; R338-P343 WeakPolarHBondContact O-CD 3.29Å |
| 344 | R | 95.3 | Very high | 93.5 | Very high | 126 Ų | 126 | 50.4 Ų | 50.4 | 48% | 0.475 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -118.3 | 22.5 | -171.9 | -59.4 | -177.7 | 175.9 | -162.4 | -1.6 | 114.1 | R340 I341 V342 V346 L347 Y348 | R340-R344 WeakPolarHBondContact O-CB 3.36Å; R340-R344 PolarHBondContact O-N 2.99Å; I341-R344 CarbonylContact O-C 3.29Å; I341-R344 PolarHBondContact O-N 3.37Å; V342-R344 VanDerWaalsContact C-N 3.34Å; V342-R344 PolarHBondContact O-N 3.38Å; R344-V346 PolarHBondContact O-N 2.83Å; R344-L347 HydrophobicContact CB-CB 4.5Å; R344-L347 HydrophobicContact CB-CD1 4.22Å; R344-L347 HydrophobicContact CG-CD1 4.37Å; R344-L347 WeakPolarHBondContact O-CB 3.29Å; R344-L347 PolarHBondContact O-N 2.92Å; R344-Y348 HydrophobicContact CB-CD2 4.21Å; R344-Y348 HydrophobicContact CB-CE2 4.04Å; R344-Y348 WeakPolarHBondContact O-CD2 3.45Å; R344-Y348 PolarHBondContact O-N 2.97Å |
| 345 | A | 96.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -52.4 | -37.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F175 W176 V179 I341 L347 Y348 F349 | F175-A345 HydrophobicContact CE1-CB 3.95Å; F175-A345 HydrophobicContact CZ-CB 4.01Å; W176-A345 HydrophobicContact CH2-CB 3.57Å; W176-A345 HydrophobicContact CZ2-CB 4.44Å; W176-A345 HydrophobicContact CZ3-CB 3.62Å; V179-A345 VanDerWaalsContact CG2-O 3.28Å; V179-A345 WeakPolarHBondContact CG2-O 3.39Å; I341-A345 WeakPolarHBondContact O-CA 3.28Å; I341-A345 WeakPolarHBondContact O-CB 3.39Å; I341-A345 PolarHBondContact O-N 2.86Å; A345-L347 VanDerWaalsContact C-N 3.35Å; A345-L347 PolarHBondContact O-N 2.81Å; A345-Y348 PolarHBondContact O-N 3.34Å; A345-F349 WeakPolarHBondContact O-CB 3.45Å; A345-F349 PolarHBondContact O-N 3.28Å |
| 346 | V | 96.4 | Very high | 90.5 | Very high | 81 Ų | 81 | 57.9 Ų | 57.9 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 177.7 | 66.2 | 0 | 0 | 0 | 0 | 112.5 | R344 F349 T350 | R344-V346 PolarHBondContact O-N 2.83Å; V346-F349 WeakPolarHBondContact O-CB 3.24Å; V346-F349 PolarHBondContact O-N 3.16Å; V346-T350 HydrophobicContact CG2-CG2 4.49Å; V346-T350 WeakPolarHBondContact O-CG2 3.3Å; V346-T350 PolarHBondContact O-N 3.4Å; V346-T350 PolarHBondContact O-OG1 3.05Å; V346-T350 VanDerWaalsContact O-OG1 3.09Å |
| 347 | L | 95 | Very high | 88.4 | Confident | 59 Ų | 59 | 62 Ų | 62 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.6 | -35.3 | 179.3 | -55 | -179.2 | 0 | 0 | 0 | 111.3 | R344 A345 F349 T350 G351 E352 A353 | R344-L347 HydrophobicContact CB-CB 4.5Å; R344-L347 HydrophobicContact CB-CD1 4.22Å; R344-L347 HydrophobicContact CG-CD1 4.37Å; R344-L347 WeakPolarHBondContact O-CB 3.29Å; R344-L347 PolarHBondContact O-N 2.92Å; A345-L347 VanDerWaalsContact C-N 3.35Å; A345-L347 PolarHBondContact O-N 2.81Å; L347-F349 VanDerWaalsContact C-N 3.34Å; L347-T350 WeakPolarHBondContact CA-OG1 3.3Å; L347-T350 PolarHBondContact O-OG1 3.3Å; L347-G351 CarbonylContact O-C 3.41Å; L347-G351 WeakPolarHBondContact O-CA 3.28Å; L347-G351 PolarHBondContact O-N 2.88Å; L347-E352 HydrophobicContact CB-CB 4.45Å; L347-E352 HydrophobicContact CD2-CB 4.41Å; L347-E352 VanDerWaalsContact CD2-OE2 3.23Å; L347-E352 WeakPolarHBondContact CD2-OE2 3.18Å; L347-E352 PolarHBondContact O-N 2.77Å; L347-A353 HydrophobicContact CB-CB 3.46Å; L347-A353 VanDerWaalsContact CB-CB 3.46Å; L347-A353 HydrophobicContact CD1-CB 4.46Å; L347-A353 PolarHBondContact O-N 3.28Å |
| 348 | Y | 95.3 | Very high | 86.2 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 4% | 0.039 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.2 | -34.3 | 170.7 | -73.1 | -71.4 | 0 | 0 | 0 | 111.9 | N182 V183 R340 I341 R344 A345 A353 | N182-Y348 WeakPolarHBondContact CB-O 3.25Å; N182-Y348 PolarHBondContact ND2-O 3.46Å; V183-Y348 HydrophobicContact CG2-CD1 3.33Å; V183-Y348 HydrophobicContact CG2-CE1 3.79Å; V183-Y348 HydrophobicContact CG2-CG 3.91Å; R340-Y348 HydrophobicContact CB-CE2 4.45Å; I341-Y348 HydrophobicContact CD1-CD1 4.3Å; I341-Y348 HydrophobicContact CD1-CD2 3.82Å; I341-Y348 HydrophobicContact CD1-CE1 4.26Å; I341-Y348 HydrophobicContact CD1-CE2 3.79Å; I341-Y348 HydrophobicContact CD1-CG 4.08Å; R344-Y348 HydrophobicContact CB-CD2 4.21Å; R344-Y348 HydrophobicContact CB-CE2 4.04Å; R344-Y348 WeakPolarHBondContact O-CD2 3.45Å; R344-Y348 PolarHBondContact O-N 2.97Å; A345-Y348 PolarHBondContact O-N 3.34Å; Y348-A353 HydrophobicContact CD1-CB 4.06Å; Y348-A353 HydrophobicContact CD2-CB 4.24Å; Y348-A353 HydrophobicContact CE1-CB 3.97Å; Y348-A353 WeakPolarHBondContact CE1-O 3.15Å; Y348-A353 HydrophobicContact CE2-CB 4.14Å; Y348-A353 HydrophobicContact CG-CB 4.2Å |
| 349 | F | 95.7 | Very high | 83.9 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 26% | 0.263 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 174.8 | 177.2 | -93.2 | 0 | 0 | 0 | 112 | I172 F175 T178 V179 N182 A345 V346 L347 G351 | I172-F349 HydrophobicContact CG2-CE1 4.2Å; I172-F349 HydrophobicContact CG2-CE2 3.96Å; I172-F349 HydrophobicContact CG2-CZ 3.58Å; F175-F349 HydrophobicContact CB-CD2 4.43Å; F175-F349 HydrophobicContact CB-CE2 4.44Å; F175-F349 HydrophobicContact CD2-CB 4.09Å; F175-F349 HydrophobicContact CD2-CD1 4.22Å; F175-F349 AromaticContact CD2-CD2 3.47Å; F175-F349 HydrophobicContact CD2-CD2 3.47Å; F175-F349 VanDerWaalsContact CD2-CD2 3.47Å; F175-F349 AromaticContact CD2-CE2 3.91Å; F175-F349 HydrophobicContact CD2-CE2 3.91Å; F175-F349 AromaticContact CD2-CG 3.65Å; F175-F349 HydrophobicContact CD2-CG 3.65Å; F175-F349 HydrophobicContact CD2-CZ 4.45Å; F175-F349 HydrophobicContact CE2-CB 3.65Å; F175-F349 HydrophobicContact CE2-CD1 4.16Å; F175-F349 AromaticContact CE2-CD2 3.95Å; F175-F349 HydrophobicContact CE2-CD2 3.95Å; F175-F349 AromaticContact CE2-CG 3.64Å; F175-F349 HydrophobicContact CE2-CG 3.64Å; F175-F349 HydrophobicContact CG-CD2 4.14Å; F175-F349 HydrophobicContact CZ-CB 4.23Å; F175-F349 WeakPolarHBondContact O-CD2 3.49Å; T178-F349 HydrophobicContact CG2-CD2 3.91Å; T178-F349 HydrophobicContact CG2-CE2 4.04Å; V179-F349 HydrophobicContact CG2-CB 3.8Å; N182-F349 PolarHBondContact ND2-O 3.5Å; A345-F349 WeakPolarHBondContact O-CB 3.45Å; A345-F349 PolarHBondContact O-N 3.28Å; V346-F349 WeakPolarHBondContact O-CB 3.24Å; V346-F349 PolarHBondContact O-N 3.16Å; L347-F349 VanDerWaalsContact C-N 3.34Å; F349-G351 VanDerWaalsContact C-N 3.34Å |
| 350 | T | 94.3 | Very high | 81.7 | Confident | 75 Ų | 75 | 78.8 Ų | 78.8 | 46% | 0.46 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -77.8 | -19.8 | 178.2 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | V346 L347 E352 | V346-T350 HydrophobicContact CG2-CG2 4.49Å; V346-T350 WeakPolarHBondContact O-CG2 3.3Å; V346-T350 PolarHBondContact O-N 3.4Å; V346-T350 PolarHBondContact O-OG1 3.05Å; V346-T350 VanDerWaalsContact O-OG1 3.09Å; L347-T350 WeakPolarHBondContact CA-OG1 3.3Å; L347-T350 PolarHBondContact O-OG1 3.3Å; T350-E352 PolarHBondContact OG1-OE2 3.44Å |
| 351 | G | 90.2 | Very high | 79.6 | Confident | 23 Ų | 23 | 83.6 Ų | 83.6 | 24% | 0.237 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | -3.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L347 F349 A353 I354 | L347-G351 CarbonylContact O-C 3.41Å; L347-G351 WeakPolarHBondContact O-CA 3.28Å; L347-G351 PolarHBondContact O-N 2.88Å; F349-G351 VanDerWaalsContact C-N 3.34Å; G351-A353 VanDerWaalsContact C-N 3.25Å; G351-A353 PolarHBondContact O-N 3.37Å; G351-I354 WeakPolarHBondContact O-CB 3.23Å; G351-I354 WeakPolarHBondContact O-CG1 3.25Å; G351-I354 PolarHBondContact O-N 3.46Å |
| 352 | E | 88.7 | Confident | 77.4 | Confident | 145 Ų | 145 | 91.4 Ų | 91.4 | 68% | 0.678 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -14.4 | -177.5 | -64.1 | 166.9 | 156.5 | 0 | 0 | 114.2 | L347 T350 | L347-E352 HydrophobicContact CB-CB 4.45Å; L347-E352 HydrophobicContact CD2-CB 4.41Å; L347-E352 VanDerWaalsContact CD2-OE2 3.23Å; L347-E352 WeakPolarHBondContact CD2-OE2 3.18Å; L347-E352 PolarHBondContact O-N 2.77Å; T350-E352 PolarHBondContact OG1-OE2 3.44Å |
| 353 | A | 85 | Confident | 75.1 | Confident | 16 Ų | 16 | 100.3 Ų | 100.3 | 13% | 0.132 | 51% | 0.51 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 11.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L347 Y348 G351 | L347-A353 HydrophobicContact CB-CB 3.46Å; L347-A353 VanDerWaalsContact CB-CB 3.46Å; L347-A353 HydrophobicContact CD1-CB 4.46Å; L347-A353 PolarHBondContact O-N 3.28Å; Y348-A353 HydrophobicContact CD1-CB 4.06Å; Y348-A353 HydrophobicContact CD2-CB 4.24Å; Y348-A353 HydrophobicContact CE1-CB 3.97Å; Y348-A353 WeakPolarHBondContact CE1-O 3.15Å; Y348-A353 HydrophobicContact CE2-CB 4.14Å; Y348-A353 HydrophobicContact CG-CB 4.2Å; G351-A353 VanDerWaalsContact C-N 3.25Å; G351-A353 PolarHBondContact O-N 3.37Å |
| 354 | I | 81.8 | Confident | 72.6 | Confident | 60 Ų | 60 | 106.6 Ų | 106.6 | 31% | 0.308 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -71 | 131.5 | 167.2 | -57.5 | 173.4 | 0 | 0 | 0 | 106.2 | N182 G351 D356 | N182-I354 HydrophobicContact CB-CD1 4.01Å; N182-I354 HydrophobicContact CB-CG1 4.37Å; G351-I354 WeakPolarHBondContact O-CB 3.23Å; G351-I354 WeakPolarHBondContact O-CG1 3.25Å; G351-I354 PolarHBondContact O-N 3.46Å; I354-D356 PolarHBondContact O-N 3.44Å |
| 355 | E | 68.3 | Low | 70.1 | Confident | 133 Ų | 133 | 104 Ų | 104 | 62% | 0.621 | 55% | 0.546 | S | S | * | . | trans | -73 | 108.1 | 174.4 | -65.7 | 178.7 | 178.8 | 0 | 0 | 105.7 | D357 | E355-D357 PolarHBondContact O-N 3.04Š| ||
| 356 | D | 55.5 | Low | 67.7 | Low | 121 Ų | 121 | 112.7 Ų | 112.7 | 65% | 0.647 | 59% | 0.587 | S | S | * | * | trans | -65.8 | 96.4 | 177.4 | -74.5 | -37.7 | 0 | 0 | 0 | 108.1 | I354 D358 | I354-D356 PolarHBondContact O-N 3.44Å; D356-D358 PolarHBondContact O-N 3.02Å | ||
| 357 | D | 52.5 | Low | 65 | Low | 131 Ų | 131 | 117.6 Ų | 117.6 | 70% | 0.701 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 0.9 | 172.1 | -90.3 | -16.5 | 0 | 0 | 0 | 113.1 | E355 | E355-D357 PolarHBondContact O-N 3.04Š|
| 358 | D | 48.9 | Very low | 62.8 | Low | 143 Ų | 143 | 119.1 Ų | 119.1 | 77% | 0.765 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -3.1 | -173.2 | -82.2 | -25.6 | 0 | 0 | 0 | 114.7 | D356 D360 | D356-D358 PolarHBondContact O-N 3.02Å; D358-D360 VanDerWaalsContact C-N 3.29Å; D358-D360 PolarHBondContact O-N 3.12Å |
| 359 | D | 46 | Very low | 60.3 | Low | 146 Ų | 146 | 125.6 Ų | 125.6 | 78% | 0.781 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -0.6 | 178.2 | -83 | -13 | 0 | 0 | 0 | 114.2 | ||
| 360 | D | 47.8 | Very low | 58.1 | Low | 149 Ų | 149 | 129.1 Ų | 129.1 | 80% | 0.797 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 10.1 | -176.6 | -107.9 | -2.8 | 0 | 0 | 0 | 114.9 | D358 | D358-D360 VanDerWaalsContact C-N 3.29Å; D358-D360 PolarHBondContact O-N 3.12Å |
| 361 | Y | 48.6 | Very low | 55.8 | Low | 211 Ų | 211 | 134.1 Ų | 134.1 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -131.8 | 44.6 | 178.3 | -75.6 | -71.9 | 0 | 0 | 0 | 115.2 | ||
| 362 | D | 50.8 | Low | 53.7 | Low | 164 Ų | 164 | 141.7 Ų | 141.7 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | trans | -144.1 | 55.1 | 166.7 | -139.2 | 11.6 | 0 | 0 | 0 | 114.1 | ||||
| 363 | E | 47.6 | Very low | 51.2 | Low | 189 Ų | 189 | 138.2 Ų | 138.2 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | trans | -161.1 | 91.4 | 150 | -154 | 160.5 | -159.2 | 0 | 0 | 112.4 | ||||
| 364 | E | 43.5 | Very low | 49.2 | Very low | 196 Ų | 196 | 146.9 Ų | 146.9 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | -174.4 | 90.6 | 126.7 | -101.2 | -175.9 | -162.5 | 0 | 0 | 109.2 | |||||
| 365 | G | 44 | Very low | 47.4 | Very low | 71 Ų | 71 | 152.6 Ų | 152.6 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | -79.4 | 141.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 366 | E | 45.1 | Very low | 46.2 | Very low | 183 Ų | 183 | 155 Ų | 155 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | 76.6 | 124 | 162.3 | -48.1 | -156 | -168.1 | 0 | 0 | 115.3 | ||||
| 367 | E | 39.5 | Very low | 45.6 | Very low | 184 Ų | 184 | 153.6 Ų | 153.6 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | -135.3 | 129.6 | 71.6 | -69.5 | -86.6 | 158.3 | 0 | 0 | 112.2 | D369 | E367-D369 PolarHBondContact O-N 2.88Š| |||
| 368 | A | 49.1 | Very low | 45 | Very low | 91 Ų | 91 | 154.7 Ų | 154.7 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -67.4 | 121.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 369 | D | 44.2 | Very low | 44.8 | Very low | 147 Ų | 147 | 155.8 Ų | 155.8 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -121.7 | 113 | 158.2 | -157.8 | 14.4 | 0 | 0 | 0 | 109.4 | E367 | E367-D369 PolarHBondContact O-N 2.88Š| ||
| 370 | D | 48.9 | Very low | 44.5 | Very low | 134 Ų | 134 | 156.6 Ų | 156.6 | 72% | 0.717 | 82% | 0.818 | S | S | * | * | trans | -91 | 102.7 | 177.3 | 177.4 | 26.7 | 0 | 0 | 0 | 107 | ||||
| 371 | E | 45.2 | Very low | 44.1 | Very low | 180 Ų | 180 | 155.6 Ų | 155.6 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | trans | -130.1 | 105.3 | 157.3 | -82.5 | -162.7 | 162.5 | 0 | 0 | 110.8 | ||||
| 372 | E | 47.8 | Very low | 44.3 | Very low | 182 Ų | 182 | 152.1 Ų | 152.1 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -44.3 | 148.8 | 162.6 | -58.3 | -170 | 159.4 | 0 | 0 | 113.4 | ||||
| 373 | G | 36.1 | Very low | 44.3 | Very low | 71 Ų | 71 | 149.7 Ų | 149.7 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 176.5 | 72.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 374 | E | 42.5 | Very low | 44.6 | Very low | 199 Ų | 199 | 148 Ų | 148 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | 76.2 | 122.2 | 144.4 | -59.9 | -172.3 | 171.8 | 0 | 0 | 121.4 | ||||
| 375 | E | 44.7 | Very low | 45 | Very low | 179 Ų | 179 | 148 Ų | 148 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -50.4 | 146.4 | 161.1 | -54.4 | 177.8 | 159 | 0 | 0 | 112.4 | ||||
| 376 | E | 42 | Very low | 45.4 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | -156.1 | 118.7 | 124.8 | -88.8 | -51.5 | 163.8 | 0 | 0 | 108.4 | |||||
| 377 | A | 43.4 | Very low | 45.6 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -82.1 | 125.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 378 | D | 40.5 | Very low | 46 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -147.8 | 144.7 | 144.9 | -151 | -0 | 0 | 0 | 0 | 112.2 | ||||
| 379 | E | 43.1 | Very low | 45.7 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | trans | -83.9 | 174.8 | -163 | -63.3 | 176.9 | 140.8 | 0 | 0 | 113.4 | ||||
| 380 | E | 41.1 | Very low | 45.5 | Very low | 164 Ų | 164 | 151 Ų | 151 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | 90.3 | 126.6 | 161.3 | -52.1 | -164.9 | 176.4 | 0 | 0 | 115.6 | ||||
| 381 | N | 38.5 | Very low | 45.1 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | cis | -168.3 | 122.5 | 38.3 | -122 | -46.2 | 0 | 0 | 0 | 108.7 | ||||
| 382 | D | 52.9 | Low | 44.8 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -116.2 | 104 | 153.3 | -170 | -3.5 | 0 | 0 | 0 | 108.7 | D384 | D382-D384 VanDerWaalsContact C-N 3.26Å; D382-D384 PolarHBondContact O-N 3.1Å; D382-D384 VanDerWaalsContact O-N 3.14Å | ||
| 383 | P | 50.4 | Low | 45.2 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 17.9 | -168.9 | 30.4 | -35.3 | 0 | 0 | 0 | 116.1 | ||
| 384 | D | 54.7 | Low | 45.8 | Very low | 154 Ų | 154 | 145 Ų | 145 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | 25 | -173.6 | -126.4 | -0.2 | 0 | 0 | 0 | 117.1 | D382 | D382-D384 VanDerWaalsContact C-N 3.26Å; D382-D384 PolarHBondContact O-N 3.1Å; D382-D384 VanDerWaalsContact O-N 3.14Å |
| 385 | Y | 51.5 | Low | 45.7 | Very low | 195 Ų | 195 | 140 Ų | 140 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | -99.9 | 102.8 | 172.5 | -166.3 | -107.3 | 0 | 0 | 0 | 113.1 | P387 | Y385-P387 HydrophobicContact CD1-CG 3.94Å; Y385-P387 HydrophobicContact CE1-CB 3.88Å; Y385-P387 HydrophobicContact CE1-CG 3.57Å; Y385-P387 WeakPolarHBondContact O-CD 3.31Å | ||
| 386 | D | 51.6 | Low | 45.9 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | trans | -109 | 103.2 | 171.4 | -175.6 | 5.5 | 0 | 0 | 0 | 111.6 | ||||
| 387 | P | 50.4 | Low | 46.3 | Very low | 81 Ų | 81 | 137.8 Ų | 137.8 | 53% | 0.526 | 77% | 0.768 | S | S | . | * | trans | -103.4 | 97 | 171.2 | 37.4 | -29.6 | 0 | 0 | 0 | 110.5 | Y385 | Y385-P387 HydrophobicContact CD1-CG 3.94Å; Y385-P387 HydrophobicContact CE1-CB 3.88Å; Y385-P387 HydrophobicContact CE1-CG 3.57Å; Y385-P387 WeakPolarHBondContact O-CD 3.31Å | ||
| 388 | K | 48.4 | Very low | 46.7 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -94.4 | 115 | 165.3 | -83.1 | -177.1 | -175.7 | 167.7 | 0 | 113.2 | ||||
| 389 | K | 42.8 | Very low | 47 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -37.1 | 145.9 | 158.3 | -64.6 | 170.9 | 171.9 | 172.2 | 0 | 114.2 | ||||
| 390 | D | 40 | Very low | 46.9 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | -177.7 | 138.4 | 96.9 | -97.5 | -33.6 | 0 | 0 | 0 | 111.5 | |||||
| 391 | G | 39.2 | Very low | 47.2 | Very low | 64 Ų | 64 | 148.1 Ų | 148.1 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | -84.8 | 154 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 392 | T | 40.3 | Very low | 47.7 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -171.3 | 142.4 | 138.8 | 5.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 393 | P | 54.4 | Low | 47.4 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -91.6 | 152.4 | -177.8 | 36.2 | -30.8 | 0 | 0 | 0 | 111.2 | ||||
| 394 | P | 48.8 | Very low | 47.2 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -109.2 | 117.5 | 157.6 | 30.3 | -16.9 | 0 | 0 | 0 | 109.3 | ||||
| 395 | A | 41.7 | Very low | 46.7 | Very low | 93 Ų | 93 | 151.9 Ų | 151.9 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | 90.2 | 114.8 | 78 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 396 | E | 48.3 | Very low | 46.4 | Very low | 182 Ų | 182 | 149 Ų | 149 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -49.7 | 137.9 | 166.3 | -67.1 | 178.2 | 112.8 | 0 | 0 | 111.5 | ||||
| 397 | C | 50.2 | Low | 46 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 91% | 0.912 | 82% | 0.815 | S | S | * | * | trans | -136.9 | 113.6 | 155.8 | -136.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 398 | R | 51.9 | Low | 45.7 | Very low | 208 Ų | 208 | 155.9 Ų | 155.9 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | -83.8 | 163.1 | 170.9 | -72.1 | -176.6 | 170.4 | -161.6 | -1.8 | 110.9 | ||||
| 399 | Q | 47.4 | Very low | 45.5 | Very low | 174 Ų | 174 | 153.3 Ų | 153.3 | 81% | 0.813 | 84% | 0.839 | S | S | * | * | trans | 88 | 130.2 | 160.1 | -50.7 | -178.8 | 18.6 | 0 | 0 | 113.9 | ||||
| 400 | Q | 40.8 | Very low | 45.7 | Very low | 261 Ų | 261 | 150.5 Ų | 150.5 | 100% | 1.22 | 84% | 0.843 | S | S | * | * | cis | -134.4 | 0 | 32.3 | -76 | 171.1 | -10.3 | 0 | 0 | 113.7 |
Retrieved 400 of 400 residues in 80 ms
(Link to these results)