| 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 | 37.9 | Very low | 42.6 | Very low | 249 Ų | 249 | 145.3 Ų | 145.3 | 100% | 1.227 | 79% | 0.792 | S | S | * | * | 0 | 173.2 | 0 | -88.4 | 172.7 | 161.5 | 0 | 0 | 109 | |||||
| 2 | I | 34.8 | Very low | 42.3 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -87.3 | 155.1 | -169.3 | -78 | 170.6 | 0 | 0 | 0 | 111.2 | ||||
| 3 | P | 69.4 | Low | 41.8 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -85 | -157.6 | -176.1 | 39 | -40.7 | 0 | 0 | 0 | 112.8 | ||||
| 4 | P | 57.2 | Low | 41.2 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | -132.4 | -154 | 69.4 | 35.5 | -14.2 | 0 | 0 | 0 | 111.3 | |||||
| 5 | S | 37.2 | Very low | 40.7 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | cis | -163.6 | 164.8 | 8.6 | 9.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 6 | C | 36.5 | Very low | 41.4 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -103.4 | 166.5 | 163.1 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 7 | P | 51.9 | Low | 41 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | -116.9 | 164.1 | 87.7 | -4.1 | 26.1 | 0 | 0 | 0 | 113 | |||||
| 8 | R | 39.1 | Very low | 40.5 | Very low | 210 Ų | 210 | 144.3 Ų | 144.3 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | 64 | 147.5 | 67.4 | -52.2 | -153.3 | -175.5 | -176 | -2 | 114.3 | |||||
| 9 | E | 34.9 | Very low | 40.1 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 59% | 0.589 | 80% | 0.795 | S | S | * | * | cis | -156.6 | 164.6 | 18.4 | -133.5 | 131 | -164.1 | 0 | 0 | 111.2 | ||||
| 10 | D | 33.7 | Very low | 39.7 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | 59.2 | 161.9 | 159.8 | -44.8 | -36.3 | 0 | 0 | 0 | 120.8 | ||||
| 11 | D | 36.1 | Very low | 39.2 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | cis | -151.2 | 163.4 | 0.8 | -159.8 | -161.4 | 0 | 0 | 0 | 113.3 | ||||
| 12 | V | 39.1 | Very low | 38.9 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | trans | 32.8 | 151.8 | 149.8 | 90.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 13 | D | 35.1 | Very low | 38.7 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | cis | -161 | 173.9 | 33.1 | -153.9 | -27.7 | 0 | 0 | 0 | 112.3 | ||||
| 14 | G | 33.4 | Very low | 37 | Very low | 64 Ų | 64 | 135.4 Ų | 135.4 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | 116 | 91.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 15 | L | 34.5 | Very low | 36.2 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -115.7 | -165 | 177.8 | -148.6 | 76.8 | 0 | 0 | 0 | 112.4 | ||||
| 16 | P | 52.2 | Low | 36 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | -109.2 | -176.9 | -112.6 | 41 | -27.2 | 0 | 0 | 0 | 114.9 | |||||
| 17 | K | 33.3 | Very low | 35.9 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -153.3 | 128.5 | 152 | -142.8 | 171.9 | -174.8 | 176.7 | 0 | 114.9 | ||||
| 18 | E | 32 | Very low | 35.3 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -91.2 | 154.4 | 161 | -73.3 | -175.8 | 77.2 | 0 | 0 | 111.3 | ||||
| 19 | A | 33.1 | Very low | 34.8 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | 178.3 | 154.3 | 127.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 20 | A | 32.8 | Very low | 35 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | -100.8 | 159.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 21 | G | 28.7 | Very low | 35.4 | Very low | 81 Ų | 81 | 128.6 Ų | 128.6 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -164.2 | 141.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 22 | A | 32.3 | Very low | 35.8 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -107.3 | 159.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 23 | E | 30.1 | Very low | 36 | Very low | 191 Ų | 191 | 124.6 Ų | 124.6 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -177.3 | 168.6 | 137.3 | -94.3 | -85.3 | 51.1 | 0 | 0 | 110.1 | ||||
| 24 | Q | 34.1 | Very low | 36.2 | Very low | 182 Ų | 182 | 124.6 Ų | 124.6 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -104.3 | 176.4 | -162.7 | -98.6 | -167.7 | -118 | 0 | 0 | 116.4 | ||||
| 25 | P | 39.3 | Very low | 36.6 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | -109 | 171.7 | -149.3 | 42.3 | -38.8 | 0 | 0 | 0 | 116.8 | ||||
| 26 | P | 34.4 | Very low | 37.5 | Very low | 128 Ų | 128 | 121 Ų | 121 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 146.1 | 159.6 | 34.7 | -32.4 | 0 | 0 | 0 | 113.1 | ||
| 27 | S | 32.8 | Very low | 37.1 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 159.6 | -175.2 | -73.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 28 | P | 39.5 | Very low | 37.5 | Very low | 118 Ų | 118 | 117 Ų | 117 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 144.7 | -172 | 32.9 | -36.5 | 0 | 0 | 0 | 114.9 | ||
| 29 | A | 30.2 | Very low | 38.6 | Very low | 98 Ų | 98 | 110.3 Ų | 110.3 | 81% | 0.81 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 130.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 30 | S | 39.1 | Very low | 39.6 | Very low | 111 Ų | 111 | 111 Ų | 111 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | trans | -112.2 | 76 | -159.8 | 45.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 31 | T | 41.3 | Very low | 40.5 | Very low | 127 Ų | 127 | 110.5 Ų | 110.5 | 78% | 0.779 | 66% | 0.659 | S | S | * | * | trans | -113.8 | 22.3 | -174.4 | 56.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 32 | S | 45.3 | Very low | 41.8 | Very low | 98 Ų | 98 | 113.4 Ų | 113.4 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -103.1 | -34.1 | 177 | 59.4 | 0 | 0 | 0 | 0 | 114.9 | Q34 S36 | S32-Q34 PolarHBondContact O-N 3.39Å; S32-S36 PolarHBondContact O-N 2.81Å |
| 33 | S | 42.1 | Very low | 43 | Very low | 66 Ų | 66 | 109.7 Ų | 109.7 | 46% | 0.462 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.5 | -38.8 | -172 | -168.1 | 0 | 0 | 0 | 0 | 113.5 | S36 | S33-S36 PolarHBondContact O-OG 3.27Å |
| 34 | Q | 38.7 | Very low | 44 | Very low | 156 Ų | 156 | 103 Ų | 103 | 73% | 0.729 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.2 | -37 | -177.9 | -71.5 | -165 | -12.6 | 0 | 0 | 113.1 | S32 S36 K37 L38 | S32-Q34 PolarHBondContact O-N 3.39Å; Q34-S36 PolarHBondContact O-N 3.4Å; Q34-K37 PolarHBondContact O-N 3.01Å; Q34-K37 VanDerWaalsContact O-N 3.16Å; Q34-L38 PolarHBondContact O-N 3.28Å; Q34-L38 VanDerWaalsContact O-N 3.08Å |
| 35 | E | 43.4 | Very low | 44.8 | Very low | 121 Ų | 121 | 99.4 Ų | 99.4 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.4 | -45.8 | 178.5 | -158.5 | 179.6 | 103.4 | 0 | 0 | 110.6 | K37 L38 Q39 | E35-K37 PolarHBondContact O-N 3.27Å; E35-K37 VanDerWaalsContact O-N 3.1Å; E35-L38 CarbonylContact O-C 3.56Å; E35-L38 WeakPolarHBondContact O-CA 3.39Å; E35-L38 PolarHBondContact O-N 3Å; E35-Q39 PolarHBondContact O-N 2.87Å; E35-Q39 PolarHBondContact O-OE1 2.9Å; E35-Q39 VanDerWaalsContact O-OE1 3.1Å; E35-Q39 PolarHBondContact OE1-NE2 2.91Å |
| 36 | S | 53.3 | Low | 45.2 | Very low | 36 Ų | 36 | 97.7 Ų | 97.7 | 25% | 0.252 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -56.7 | -31.8 | 176.3 | 84.5 | 0 | 0 | 0 | 0 | 113.4 | S32 S33 Q34 Q39 K40 | S32-S36 PolarHBondContact O-N 2.81Å; S33-S36 PolarHBondContact O-OG 3.27Å; Q34-S36 PolarHBondContact O-N 3.4Å; S36-Q39 VanDerWaalsContact CA-OE1 3.31Å; S36-K40 WeakPolarHBondContact O-CB 3.24Å; S36-K40 WeakPolarHBondContact O-CD 3.49Å; S36-K40 WeakPolarHBondContact O-CG 3.41Å; S36-K40 PolarHBondContact O-N 2.87Å |
| 37 | K | 42.5 | Very low | 45.9 | Very low | 126 Ų | 126 | 98.9 Ų | 98.9 | 55% | 0.548 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -75.8 | -39.2 | 177.3 | -70.1 | 173.5 | -180 | 176.1 | 0 | 111.3 | Q34 E35 K40 L41 | Q34-K37 PolarHBondContact O-N 3.01Å; Q34-K37 VanDerWaalsContact O-N 3.16Å; E35-K37 PolarHBondContact O-N 3.27Å; E35-K37 VanDerWaalsContact O-N 3.1Å; K37-K40 PolarHBondContact O-N 2.84Å; K37-L41 WeakPolarHBondContact O-CG 3.46Å; K37-L41 PolarHBondContact O-N 2.83Å |
| 38 | L | 43.3 | Very low | 46.4 | Very low | 103 Ų | 103 | 101.7 Ų | 101.7 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.6 | -37.3 | 173.9 | -86.2 | 159 | 0 | 0 | 0 | 112.6 | Q34 E35 L41 K42 | Q34-L38 PolarHBondContact O-N 3.28Å; Q34-L38 VanDerWaalsContact O-N 3.08Å; E35-L38 CarbonylContact O-C 3.56Å; E35-L38 WeakPolarHBondContact O-CA 3.39Å; E35-L38 PolarHBondContact O-N 3Å; L38-L41 PolarHBondContact O-N 2.85Å; L38-K42 WeakPolarHBondContact O-CG 3.35Å; L38-K42 PolarHBondContact O-N 3.42Å |
| 39 | Q | 54.3 | Low | 46.6 | Very low | 46 Ų | 46 | 101.3 Ų | 101.3 | 22% | 0.215 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -62.5 | -49.6 | 170.5 | -79.9 | 143.8 | -18.4 | 0 | 0 | 111.1 | E35 S36 L41 K42 R43 | E35-Q39 PolarHBondContact O-N 2.87Å; E35-Q39 PolarHBondContact O-OE1 2.9Å; E35-Q39 VanDerWaalsContact O-OE1 3.1Å; E35-Q39 PolarHBondContact OE1-NE2 2.91Å; S36-Q39 VanDerWaalsContact CA-OE1 3.31Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 2.9Å; Q39-K42 PolarHBondContact O-N 3.18Å; Q39-K42 VanDerWaalsContact O-N 3.09Å; Q39-R43 WeakPolarHBondContact O-CB 3.21Å; Q39-R43 VanDerWaalsContact O-CG 3.29Å; Q39-R43 WeakPolarHBondContact O-CG 3.42Å; Q39-R43 PolarHBondContact O-N 3.12Å |
| 40 | K | 54.3 | Low | 47.2 | Very low | 120 Ų | 120 | 105.6 Ų | 105.6 | 52% | 0.522 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -57.5 | -36.3 | 175.7 | -72.8 | 161.1 | -167.3 | 165.5 | 0 | 113.1 | S36 K37 S44 | S36-K40 WeakPolarHBondContact O-CB 3.24Å; S36-K40 WeakPolarHBondContact O-CD 3.49Å; S36-K40 WeakPolarHBondContact O-CG 3.41Å; S36-K40 PolarHBondContact O-N 2.87Å; K37-K40 PolarHBondContact O-N 2.84Å; K40-S44 PolarHBondContact O-N 3.22Å; K40-S44 PolarHBondContact O-OG 2.82Å |
| 41 | L | 51.1 | Low | 47.3 | Very low | 101 Ų | 101 | 105.3 Ų | 105.3 | 53% | 0.529 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.3 | -42.7 | 173.1 | -75.6 | 164.4 | 0 | 0 | 0 | 112.9 | K37 L38 Q39 R43 S44 L45 | K37-L41 WeakPolarHBondContact O-CG 3.46Å; K37-L41 PolarHBondContact O-N 2.83Å; L38-L41 PolarHBondContact O-N 2.85Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 2.9Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 PolarHBondContact O-N 3.15Å; L41-S44 PolarHBondContact O-OG 3.03Å; L41-S44 VanDerWaalsContact O-OG 3.13Å; L41-L45 VanDerWaalsContact O-CG 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.23Å; L41-L45 PolarHBondContact O-N 3.35Å |
| 42 | K | 56.6 | Low | 47.4 | Very low | 141 Ų | 141 | 107.4 Ų | 107.4 | 61% | 0.613 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.6 | -42.8 | 174.2 | -74.3 | 172.3 | 179.9 | 177.4 | 0 | 112 | L38 Q39 S44 L45 S46 | L38-K42 WeakPolarHBondContact O-CG 3.35Å; L38-K42 PolarHBondContact O-N 3.42Å; Q39-K42 PolarHBondContact O-N 3.18Å; Q39-K42 VanDerWaalsContact O-N 3.09Å; K42-S44 VanDerWaalsContact C-N 3.29Å; K42-S44 PolarHBondContact O-N 2.97Å; K42-L45 PolarHBondContact O-N 3.06Å; K42-S46 PolarHBondContact O-N 2.95Å |
| 43 | R | 57.3 | Low | 47 | Very low | 23 Ų | 23 | 114.4 Ų | 114.4 | 9% | 0.087 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -70.2 | -17.5 | -175 | -70.1 | 173 | 79 | 128.5 | 0.2 | 114.5 | Q39 L41 E300 E302 D303 W322 | Q39-R43 WeakPolarHBondContact O-CB 3.21Å; Q39-R43 VanDerWaalsContact O-CG 3.29Å; Q39-R43 WeakPolarHBondContact O-CG 3.42Å; Q39-R43 PolarHBondContact O-N 3.12Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 PolarHBondContact O-N 3.15Å; R43-E300 IonicContact CZ-OE2 3.86Å; R43-E300 IonicContact NE-OE2 3.51Å; R43-E300 IonicContact NH1-OE2 3.2Å; R43-E300 PolarHBondContact NH1-OE2 3.03Å; R43-E302 IonicContact NH1-OE1 2.64Å; R43-E302 PolarHBondContact NH1-OE1 3.47Å; R43-D303 IonicContact CZ-OD1 3.26Å; R43-D303 IonicContact NH1-OD1 2.69Å; R43-D303 PolarHBondContact NH1-OD1 3.32Å; R43-D303 IonicContact NH2-OD1 3.52Å; R43-D303 PolarHBondContact NH2-OD1 2.71Å; R43-W322 PolarHBondContact O-NE1 3.02Å |
| 44 | S | 51.9 | Low | 46.8 | Very low | 49 Ų | 49 | 116.6 Ų | 116.6 | 34% | 0.343 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -98.8 | -27.4 | 175.3 | 47.7 | 0 | 0 | 0 | 0 | 113.8 | K40 L41 K42 | K40-S44 PolarHBondContact O-N 3.22Å; K40-S44 PolarHBondContact O-OG 2.82Å; L41-S44 PolarHBondContact O-OG 3.03Å; L41-S44 VanDerWaalsContact O-OG 3.13Å; K42-S44 VanDerWaalsContact C-N 3.29Å; K42-S44 PolarHBondContact O-N 2.97Å |
| 45 | L | 49.4 | Very low | 47.1 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 56% | 0.56 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -78.8 | -27.1 | -179.7 | -69.3 | 171.6 | 0 | 0 | 0 | 113.9 | L41 K42 F47 K48 | L41-L45 VanDerWaalsContact O-CG 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.23Å; L41-L45 PolarHBondContact O-N 3.35Å; K42-L45 PolarHBondContact O-N 3.06Å; L45-F47 VanDerWaalsContact C-N 3.31Å; L45-F47 PolarHBondContact O-N 3.09Å; L45-K48 PolarHBondContact O-N 2.82Å |
| 46 | S | 48.9 | Very low | 46.9 | Very low | 62 Ų | 62 | 119.1 Ų | 119.1 | 43% | 0.434 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.3 | -26.6 | -172.2 | 60.3 | 0 | 0 | 0 | 0 | 115.3 | K42 | K42-S46 PolarHBondContact O-N 2.95Å |
| 47 | F | 48.8 | Very low | 46 | Very low | 153 Ų | 153 | 121.7 Ų | 121.7 | 67% | 0.671 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -90.5 | -26 | 177.5 | -73.3 | -80.4 | 0 | 0 | 0 | 113.8 | L45 T49 K50 | L45-F47 VanDerWaalsContact C-N 3.31Å; L45-F47 PolarHBondContact O-N 3.09Å; F47-T49 PolarHBondContact O-N 3.47Å; F47-K50 PolarHBondContact O-N 3.11Å |
| 48 | K | 43.3 | Very low | 45.9 | Very low | 174 Ų | 174 | 123.2 Ų | 123.2 | 76% | 0.757 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.6 | -16.9 | -170.8 | -154.2 | 166.1 | -173.7 | 171.3 | 0 | 113.7 | L45 | L45-K48 PolarHBondContact O-N 2.82Å |
| 49 | T | 42.8 | Very low | 45.4 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -13 | -175.7 | 55.6 | 0 | 0 | 0 | 0 | 115 | F47 | F47-T49 PolarHBondContact O-N 3.47Š|
| 50 | K | 43.7 | Very low | 44.6 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 82% | 0.817 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -93.2 | -1.3 | -176.7 | -72.3 | 179.3 | 179.5 | 170.5 | 0 | 114.9 | F47 | F47-K50 PolarHBondContact O-N 3.11Š|
| 51 | S | 40.9 | Very low | 43.5 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | trans | -102.6 | 39.5 | -176.1 | -169.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 52 | L | 43.2 | Very low | 42.6 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 89% | 0.89 | 71% | 0.714 | S | S | * | * | trans | -122.2 | 83.8 | 170.8 | -72.5 | 176.2 | 0 | 0 | 0 | 111.6 | ||||
| 53 | R | 37 | Very low | 41.3 | Very low | 245 Ų | 245 | 144.7 Ų | 144.7 | 93% | 0.925 | 73% | 0.728 | S | S | * | * | trans | -122 | 125.3 | 158.5 | -160.2 | 174.4 | -174.6 | 97 | -1.4 | 108.1 | ||||
| 54 | S | 38.2 | Very low | 39.9 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -72.9 | 142.4 | -161.9 | 40.7 | 0 | 0 | 0 | 0 | 114.4 | S56 | S54-S56 PolarHBondContact O-N 3.18Š| ||
| 55 | K | 45.4 | Very low | 38.8 | Very low | 216 Ų | 216 | 154 Ų | 154 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | trans | -80.8 | 102.7 | 159.3 | -68.4 | -179.7 | 178.7 | 179.3 | 0 | 108.8 | ||||
| 56 | S | 39.5 | Very low | 38 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -166 | 94.4 | 163.5 | -170 | 0 | 0 | 0 | 0 | 111.3 | S54 | S54-S56 PolarHBondContact O-N 3.18Š| ||
| 57 | A | 34.3 | Very low | 37.3 | Very low | 91 Ų | 91 | 160.7 Ų | 160.7 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -163 | 18.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 58 | D | 39 | Very low | 36.4 | Very low | 158 Ų | 158 | 160.6 Ų | 160.6 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -120.5 | 45.9 | -172.2 | -73.6 | -72.8 | 0 | 0 | 0 | 112.8 | ||||
| 59 | N | 34 | Very low | 35.8 | Very low | 165 Ų | 165 | 157.1 Ų | 157.1 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -149.3 | 56.6 | 174.4 | -101.4 | -46.8 | 0 | 0 | 0 | 111.9 | ||||
| 60 | F | 37.6 | Very low | 35.2 | Very low | 178 Ų | 178 | 161 Ų | 161 | 78% | 0.781 | 82% | 0.822 | S | S | * | * | trans | -140.3 | 141.1 | 168.2 | -153.8 | -115.6 | 0 | 0 | 0 | 108.6 | ||||
| 61 | F | 31.4 | Very low | 34.4 | Very low | 186 Ų | 186 | 160 Ų | 160 | 82% | 0.816 | 83% | 0.825 | S | S | * | * | trans | 70 | 62.1 | -169.2 | -51 | -66.6 | 0 | 0 | 0 | 117.1 | ||||
| 62 | Q | 32.1 | Very low | 33.9 | Very low | 189 Ų | 189 | 163.5 Ų | 163.5 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -127.3 | 106.1 | 144 | -73.7 | -167.2 | 17.1 | 0 | 0 | 110.3 | ||||
| 63 | R | 29.2 | Very low | 33.2 | Very low | 244 Ų | 244 | 160.3 Ų | 160.3 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | 160.6 | 103.2 | 146.9 | -94.3 | 177.7 | 179.1 | -151 | -1 | 112.3 | ||||
| 64 | T | 28.3 | Very low | 32.8 | Very low | 131 Ų | 131 | 156.3 Ų | 156.3 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 171 | 129.7 | 152.9 | 43.1 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 65 | N | 28 | Very low | 32.4 | Very low | 137 Ų | 137 | 158.7 Ų | 158.7 | 73% | 0.733 | 82% | 0.82 | S | S | * | * | cis | -142.3 | 129.8 | 0.6 | -86.5 | -12.3 | 0 | 0 | 0 | 106.4 | ||||
| 66 | S | 31.9 | Very low | 31.7 | Very low | 111 Ų | 111 | 154.5 Ų | 154.5 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | 46.5 | 118 | 103.8 | 72.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 67 | E | 33.8 | Very low | 31.1 | Very low | 197 Ų | 197 | 153.3 Ų | 153.3 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -82.7 | 148.4 | 178.6 | -58.8 | 168 | 108.1 | 0 | 0 | 112.5 | ||||
| 68 | D | 29.9 | Very low | 30.8 | Very low | 151 Ų | 151 | 157.3 Ų | 157.3 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | trans | -166.5 | 144.9 | 163 | -166.7 | -102.4 | 0 | 0 | 0 | 108.5 | ||||
| 69 | T | 32.5 | Very low | 30.3 | Very low | 102 Ų | 102 | 157 Ų | 157 | 63% | 0.626 | 81% | 0.809 | S | S | * | * | cis | -156 | 141.6 | -29.1 | -96.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 70 | K | 29.1 | Very low | 30.1 | Very low | 190 Ų | 190 | 154.2 Ų | 154.2 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | 12.5 | 124.4 | 153 | -175.6 | -172.8 | -177.4 | -179.3 | 0 | 119.2 | ||||
| 71 | L | 26.9 | Very low | 30.6 | Very low | 168 Ų | 168 | 151.1 Ų | 151.1 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | -154.1 | 129.3 | 132.9 | -109.8 | 175.6 | 0 | 0 | 0 | 112 | ||||
| 72 | Q | 30 | Very low | 30.4 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -115.8 | 145.4 | 162.5 | -87.8 | -173.1 | -14.7 | 0 | 0 | 108.3 | ||||
| 73 | A | 29.3 | Very low | 30.3 | Very low | 102 Ų | 102 | 144 Ų | 144 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -139.1 | 162.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 74 | H | 29.2 | Very low | 30.4 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | -144.9 | 166.7 | -154.6 | -153.1 | -97.2 | 0 | 0 | 0 | 111.2 | ||||
| 75 | M | 29.7 | Very low | 31.1 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | trans | 78.1 | 153.2 | 166.2 | -50.3 | -168.6 | -170.3 | 0 | 0 | 117.1 | ||||
| 76 | V | 29.8 | Very low | 31.3 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | cis | -165.3 | 164.9 | -14.8 | 127.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 77 | A | 28.1 | Very low | 31.5 | Very low | 89 Ų | 89 | 139.6 Ų | 139.6 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | 71.7 | 162.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 78 | E | 28.1 | Very low | 31.4 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | -179.6 | -175.3 | -41.6 | -116.1 | -74.6 | 165.4 | 0 | 0 | 107.1 | ||||
| 79 | I | 27.8 | Very low | 32.1 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 84.6 | 120.3 | 166 | -49.4 | 178 | 0 | 0 | 0 | 117.2 | ||||
| 80 | S | 30.6 | Very low | 31.9 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -115.2 | -173.4 | 162.2 | -66.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 81 | P | 46.6 | Very low | 31.9 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | cis | -149.2 | -164.7 | 14.6 | 45.2 | -23.7 | 0 | 0 | 0 | 117.3 | ||||
| 82 | S | 28.6 | Very low | 32.1 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 77.7 | 154.3 | 158.3 | 83 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 83 | S | 29.5 | Very low | 32 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | cis | -147.5 | 162 | 5.3 | 42.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 84 | S | 31.3 | Very low | 32 | Very low | 112 Ų | 112 | 126 Ų | 126 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -88.4 | -177.8 | 173.6 | -22.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 85 | P | 43.1 | Very low | 32.1 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | cis | -144.3 | -166.6 | 32.4 | 42.8 | -20.2 | 0 | 0 | 0 | 117.6 | ||||
| 86 | L | 31.5 | Very low | 32.4 | Very low | 159 Ų | 159 | 123 Ų | 123 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -82.6 | 174 | 178.7 | -63.9 | 161.5 | 0 | 0 | 0 | 113.2 | ||||
| 87 | P | 36.3 | Very low | 32.5 | Very low | 131 Ų | 131 | 122 Ų | 122 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | -140.8 | 175.2 | 96.4 | 39.2 | -26.3 | 0 | 0 | 0 | 116.3 | |||||
| 88 | A | 32.6 | Very low | 32.8 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -135.9 | -168.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 89 | P | 44.3 | Very low | 33 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | cis | -141.7 | -175.8 | 5.3 | 44.1 | -24.5 | 0 | 0 | 0 | 117.2 | ||||
| 90 | G | 28.2 | Very low | 33 | Very low | 68 Ų | 68 | 120.6 Ų | 120.6 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 151.8 | 107.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 91 | S | 27.9 | Very low | 33.2 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | 66.1 | 114.8 | 58.1 | -156.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 92 | L | 31.2 | Very low | 32.6 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | cis | -121.1 | -166.8 | 1.9 | -64.9 | 168.5 | 0 | 0 | 0 | 109.1 | ||||
| 93 | T | 27.6 | Very low | 33.4 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | cis | -141.2 | -167.8 | 10.9 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 94 | S | 30.3 | Very low | 34.1 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -113.7 | 130.9 | -175.4 | 55.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 95 | T | 31.4 | Very low | 34.9 | Very low | 138 Ų | 138 | 122.1 Ų | 122.1 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | 174.9 | 135.6 | 129.2 | 26.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 96 | P | 36.5 | Very low | 36.1 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -87.3 | 116 | 169.1 | 32.2 | -30.1 | 0 | 0 | 0 | 111.2 | R98 | P96-R98 PolarHBondContact O-N 3.2Š| ||
| 97 | A | 31.6 | Very low | 38.3 | Very low | 106 Ų | 106 | 120.2 Ų | 120.2 | 88% | 0.876 | 77% | 0.772 | S | S | * | * | trans | -67.5 | 101.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | A99 | A97-A99 PolarHBondContact O-N 3.32Š| ||
| 98 | R | 33.3 | Very low | 40.5 | Very low | 242 Ų | 242 | 115.4 Ų | 115.4 | 91% | 0.913 | 74% | 0.738 | S | S | * | * | trans | -44.6 | 103.2 | 179.9 | -177.1 | -178.6 | -174 | 170.9 | 0.9 | 112.9 | P96 G100 | P96-R98 PolarHBondContact O-N 3.2Å; R98-G100 PolarHBondContact O-N 3.47Å; R98-G100 VanDerWaalsContact O-N 3.17Å | ||
| 99 | A | 32.7 | Very low | 43.1 | Very low | 90 Ų | 90 | 113.8 Ų | 113.8 | 74% | 0.744 | 73% | 0.725 | S | S | * | * | trans | -60.3 | 117.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A97 L101 | A97-A99 PolarHBondContact O-N 3.32Å; A99-L101 PolarHBondContact O-N 2.91Å | ||
| 100 | G | 28.7 | Very low | 45.3 | Very low | 53 Ų | 53 | 109.6 Ų | 109.6 | 55% | 0.546 | 69% | 0.693 | S | S | . | * | trans | -70.2 | 119.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R98 H102 | R98-G100 PolarHBondContact O-N 3.47Å; R98-G100 VanDerWaalsContact O-N 3.17Å; G100-H102 PolarHBondContact O-N 2.87Å; G100-H102 VanDerWaalsContact O-N 3.09Å | ||
| 101 | L | 33.6 | Very low | 48.2 | Very low | 171 Ų | 171 | 110.5 Ų | 110.5 | 90% | 0.895 | 68% | 0.679 | S | S | * | * | trans | -72.3 | 97.1 | 168.1 | -76.6 | 107.8 | 0 | 0 | 0 | 110.2 | A99 | A99-L101 PolarHBondContact O-N 2.91Š| ||
| 102 | H | 34.7 | Very low | 51.2 | Low | 174 Ų | 174 | 109.8 Ų | 109.8 | 81% | 0.806 | 67% | 0.667 | S | S | * | * | trans | -111.9 | 103.7 | 171.7 | -70.8 | -84.2 | 0 | 0 | 0 | 112 | G100 | G100-H102 PolarHBondContact O-N 2.87Å; G100-H102 VanDerWaalsContact O-N 3.09Å | ||
| 103 | P | 45.2 | Very low | 53.9 | Low | 130 Ų | 130 | 107.3 Ų | 107.3 | 84% | 0.844 | 65% | 0.647 | S | S | * | * | trans | -85.4 | 130.8 | 159.6 | 32.9 | -28.7 | 0 | 0 | 0 | 109.9 | ||||
| 104 | G | 43.6 | Very low | 56.8 | Low | 48 Ų | 48 | 105.5 Ų | 105.5 | 50% | 0.495 | 63% | 0.631 | S | S | . | * | cis | -174.5 | 36.3 | -0.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K106 | G104-K106 PolarHBondContact O-N 2.73Š| ||
| 105 | G | 48.9 | Very low | 59.3 | Low | 67 Ų | 67 | 101 Ų | 101 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | trans | -83.2 | 78.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 106 | K | 68.3 | Low | 61.8 | Low | 162 Ų | 162 | 104 Ų | 104 | 70% | 0.704 | 60% | 0.6 | S | S | * | * | trans | -73.9 | 140.3 | -175.1 | -62 | -171.3 | 179.2 | -173.8 | 0 | 112.9 | G104 C159 | G104-K106 PolarHBondContact O-N 2.73Å; K106-C159 VanDerWaalsContact O-CB 3.23Å; K106-C159 WeakPolarHBondContact O-CB 3.27Å; K106-C159 PolarHBondContact O-N 3.06Å; K106-C159 VanDerWaalsContact O-N 3.12Å | ||
| 107 | A | 78.2 | Confident | 63.9 | Low | 86 Ų | 86 | 106 Ų | 106 | 71% | 0.711 | 60% | 0.596 | S | S | * | * | trans | -65 | 160.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A109 | A107-A109 PolarHBondContact O-N 2.87Š| ||
| 108 | H | 82.9 | Confident | 66.4 | Low | 29 Ų | 29 | 105.1 Ų | 105.1 | 13% | 0.134 | 58% | 0.581 | C | S | . | * | trans | -71.2 | 101.2 | 178.8 | -77.8 | -97 | 0 | 0 | 0 | 111.9 | F110 C142 Q157 C159 | H108-F110 HydrophobicContact CB-CD2 3.72Å; H108-F110 HydrophobicContact CB-CE2 3.27Å; H108-F110 HydrophobicContact CB-CZ 3.89Å; H108-F110 AromaticContact CG-CE2 3.91Å; H108-F110 AromaticContact ND1-CZ 3.99Å; H108-F110 WeakPolarHBondContact O-CD2 3.44Å; H108-F110 PolarHBondContact O-N 3.16Å; H108-C142 VanDerWaalsContact CE1-SG 3.5Å; H108-C142 PolarHBondContact ND1-SG 3.06Å; H108-C142 VanDerWaalsContact ND1-SG 3.45Å; H108-Q157 PolarHBondContact CD2-O 3.37Å; H108-Q157 VanDerWaalsContact CD2-O 3.29Å; H108-C159 HydrophobicContact CB-CB 4.38Å; H108-C159 WeakPolarHBondContact NE2-CA 3.32Å | ||
| 109 | A | 87.1 | Confident | 68.8 | Low | 57 Ų | 57 | 94.9 Ų | 94.9 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | trans | -70.9 | 89.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A107 C139 K140 | A107-A109 PolarHBondContact O-N 2.87Å; A109-C139 CarbonylContact O-C 3.56Å; A109-C139 WeakPolarHBondContact O-CA 3.38Å; A109-K140 PolarHBondContact O-N 3.11Å | ||
| 110 | F | 89.4 | Confident | 71.4 | Confident | 46 Ų | 46 | 96.3 Ų | 96.3 | 20% | 0.202 | 54% | 0.535 | C | S | . | . | trans | -77.8 | 158.8 | 174.2 | -76.8 | -70.8 | 0 | 0 | 0 | 112.7 | H108 L137 C139 M144 I146 L154 | H108-F110 HydrophobicContact CB-CD2 3.72Å; H108-F110 HydrophobicContact CB-CE2 3.27Å; H108-F110 HydrophobicContact CB-CZ 3.89Å; H108-F110 AromaticContact CG-CE2 3.91Å; H108-F110 AromaticContact ND1-CZ 3.99Å; H108-F110 WeakPolarHBondContact O-CD2 3.44Å; H108-F110 PolarHBondContact O-N 3.16Å; F110-L137 HydrophobicContact CB-CB 4.13Å; F110-L137 HydrophobicContact CB-CD1 4.46Å; F110-L137 HydrophobicContact CB-CD2 4.41Å; F110-L137 HydrophobicContact CD1-CB 3.78Å; F110-L137 HydrophobicContact CG-CB 4.16Å; F110-C139 HydrophobicContact CD1-CB 3.93Å; F110-C139 HydrophobicContact CE1-CB 3.71Å; F110-C139 HydrophobicContact CZ-CB 4.24Å; F110-M144 HydrophobicContact CE1-CB 4.36Å; F110-I146 HydrophobicContact CD1-CD1 4.18Å; F110-I146 HydrophobicContact CD1-CG1 4.3Å; F110-I146 HydrophobicContact CD2-CD1 4.32Å; F110-I146 HydrophobicContact CE1-CD1 3.71Å; F110-I146 HydrophobicContact CE1-CG1 3.85Å; F110-I146 HydrophobicContact CE2-CD1 3.83Å; F110-I146 HydrophobicContact CG-CD1 4.49Å; F110-I146 HydrophobicContact CZ-CD1 3.53Å; F110-I146 HydrophobicContact CZ-CG1 4.16Å; F110-L154 HydrophobicContact CE2-CD1 3.51Å; F110-L154 HydrophobicContact CZ-CD1 3.38Å | ||
| 111 | Q | 89.4 | Confident | 74.2 | Confident | 87 Ų | 87 | 93.8 Ų | 93.8 | 41% | 0.407 | 51% | 0.509 | S | S | . | . | trans | -154.4 | 145.2 | 174.1 | -174.7 | 76.3 | 74.3 | 0 | 0 | 108.2 | L137 R138 K140 | Q111-L137 CarbonylContact O-C 3.59Å; Q111-L137 WeakPolarHBondContact O-CA 3.38Å; Q111-R138 PolarHBondContact N-O 3.06Å; Q111-R138 VanDerWaalsContact N-O 3.16Å; Q111-R138 PolarHBondContact O-N 3.49Å; Q111-K140 HydrophobicContact CB-CG 4.38Å | ||
| 112 | D | 90.6 | Very high | 76.7 | Confident | 98 Ų | 98 | 87.4 Ų | 87.4 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 138.2 | 173.3 | -42.3 | -61.9 | 0 | 0 | 0 | 111.4 | L137 H148 | D112-L137 VanDerWaalsContact OD1-CD2 3.32Å; D112-L137 WeakPolarHBondContact OD1-CD2 3.47Å; D112-H148 IonicContact OD1-CE1 3.22Å; D112-H148 PolarHBondContact OD1-CE1 3.18Å; D112-H148 VanDerWaalsContact OD1-CE1 3.22Å |
| 113 | Y | 87.7 | Confident | 79.2 | Confident | 106 Ų | 106 | 81.8 Ų | 81.8 | 42% | 0.416 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 133.3 | -176.4 | -170.1 | -95.8 | 0 | 0 | 0 | 111.4 | F115 G136 R138 | Y113-F115 AromaticContact CD1-CD1 3.67Å; Y113-F115 HydrophobicContact CD1-CD1 3.67Å; Y113-F115 HydrophobicContact CD1-CD2 4.21Å; Y113-F115 AromaticContact CD1-CE1 3.64Å; Y113-F115 HydrophobicContact CD1-CE1 3.64Å; Y113-F115 HydrophobicContact CD1-CE2 4.15Å; Y113-F115 AromaticContact CD1-CG 3.97Å; Y113-F115 HydrophobicContact CD1-CG 3.97Å; Y113-F115 AromaticContact CD1-CZ 3.88Å; Y113-F115 HydrophobicContact CD1-CZ 3.88Å; Y113-F115 AromaticContact CE1-CD1 3.96Å; Y113-F115 HydrophobicContact CE1-CD1 3.96Å; Y113-F115 HydrophobicContact CE1-CE1 4.22Å; Y113-F115 HydrophobicContact CE1-CG 4.4Å; Y113-F115 WeakPolarHBondContact O-CD2 3.5Å; Y113-F115 WeakPolarHBondContact O-CE2 3.35Å; Y113-G136 PolarHBondContact N-O 2.71Å; Y113-G136 PolarHBondContact O-N 3.12Å; Y113-R138 HydrophobicContact CD1-CB 4.47Å; Y113-R138 HydrophobicContact CG-CB 4.03Å |
| 114 | I | 88.4 | Confident | 81 | Confident | 101 Ų | 101 | 77.8 Ų | 77.8 | 52% | 0.518 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 109.4 | 178.9 | -48.5 | -173 | 0 | 0 | 0 | 109.1 | K116 A133 | I114-K116 PolarHBondContact O-N 2.81Å; I114-K116 VanDerWaalsContact O-N 3.12Å; I114-A133 HydrophobicContact CG2-CB 4.38Å |
| 115 | F | 84.3 | Confident | 82.9 | Confident | 6 Ų | 6 | 79.8 Ų | 79.8 | 3% | 0.026 | 43% | 0.428 | C | S | . | . | trans | -80.3 | 95.4 | -174.6 | -63 | -88.6 | 0 | 0 | 0 | 111.9 | Y113 K117 T119 I128 K134 R138 S145 | Y113-F115 AromaticContact CD1-CD1 3.67Å; Y113-F115 HydrophobicContact CD1-CD1 3.67Å; Y113-F115 HydrophobicContact CD1-CD2 4.21Å; Y113-F115 AromaticContact CD1-CE1 3.64Å; Y113-F115 HydrophobicContact CD1-CE1 3.64Å; Y113-F115 HydrophobicContact CD1-CE2 4.15Å; Y113-F115 AromaticContact CD1-CG 3.97Å; Y113-F115 HydrophobicContact CD1-CG 3.97Å; Y113-F115 AromaticContact CD1-CZ 3.88Å; Y113-F115 HydrophobicContact CD1-CZ 3.88Å; Y113-F115 AromaticContact CE1-CD1 3.96Å; Y113-F115 HydrophobicContact CE1-CD1 3.96Å; Y113-F115 HydrophobicContact CE1-CE1 4.22Å; Y113-F115 HydrophobicContact CE1-CG 4.4Å; Y113-F115 WeakPolarHBondContact O-CD2 3.5Å; Y113-F115 WeakPolarHBondContact O-CE2 3.35Å; F115-K117 PolarHBondContact O-N 2.9Å; F115-T119 HydrophobicContact CD1-CG2 3.65Å; F115-T119 WeakPolarHBondContact CD1-OG1 3.39Å; F115-T119 HydrophobicContact CE1-CG2 3.77Å; F115-T119 HydrophobicContact CG-CG2 4.43Å; F115-I128 HydrophobicContact CD2-CD1 4.38Å; F115-I128 HydrophobicContact CD2-CG2 3.92Å; F115-I128 HydrophobicContact CE1-CD1 4.48Å; F115-I128 HydrophobicContact CE2-CD1 3.89Å; F115-I128 HydrophobicContact CE2-CG2 4.05Å; F115-I128 HydrophobicContact CZ-CD1 3.95Å; F115-K134 HydrophobicContact CB-CB 4.02Å; F115-K134 WeakPolarHBondContact CD2-O 3.47Å; F115-K134 PolarHBondContact N-O 2.76Å; F115-K134 WeakPolarHBondContact O-CD 3.35Å; F115-R138 HydrophobicContact CZ-CB 4.21Å; F115-S145 WeakPolarHBondContact CE1-OG 3.46Å | ||
| 116 | K | 82.1 | Confident | 84.5 | Confident | 203 Ų | 203 | 82.9 Ų | 82.9 | 88% | 0.883 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -59.3 | -15.7 | 176 | -64.4 | -168 | 177.4 | -170.7 | 0 | 114.9 | I114 | I114-K116 PolarHBondContact O-N 2.81Å; I114-K116 VanDerWaalsContact O-N 3.12Å |
| 117 | K | 82 | Confident | 85.4 | Confident | 165 Ų | 165 | 78.8 Ų | 78.8 | 72% | 0.717 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -122.1 | 151.6 | 173.9 | -68.5 | -168.9 | 175.8 | -169.9 | 0 | 110.1 | F115 T119 | F115-K117 PolarHBondContact O-N 2.9Å; K117-T119 PolarHBondContact O-N 3.45Å; K117-T119 PolarHBondContact O-OG1 3.08Å |
| 118 | P | 83.2 | Confident | 85.8 | Confident | 86 Ų | 86 | 74.7 Ų | 74.7 | 56% | 0.558 | 37% | 0.374 | S | S | * | . | trans | -45.7 | 125.5 | 165.8 | -24.7 | 34.1 | 0 | 0 | 0 | 110.2 | M127 | P118-M127 HydrophobicContact CB-SD 3.99Š| ||
| 119 | T | 84.4 | Confident | 85.6 | Confident | 27 Ų | 27 | 77.5 Ų | 77.5 | 17% | 0.166 | 39% | 0.394 | C | S | . | . | trans | -139.4 | 134.5 | -177.1 | -56.9 | 0 | 0 | 0 | 0 | 107.2 | F115 K117 I128 | F115-T119 HydrophobicContact CD1-CG2 3.65Å; F115-T119 WeakPolarHBondContact CD1-OG1 3.39Å; F115-T119 HydrophobicContact CE1-CG2 3.77Å; F115-T119 HydrophobicContact CG-CG2 4.43Å; K117-T119 PolarHBondContact O-N 3.45Å; K117-T119 PolarHBondContact O-OG1 3.08Å; T119-I128 HydrophobicContact CG2-CD1 4.27Å; T119-I128 WeakPolarHBondContact O-CB 3.47Å; T119-I128 PolarHBondContact O-N 3.3Å | ||
| 120 | F | 87.3 | Confident | 84.6 | Confident | 121 Ų | 121 | 76.9 Ų | 76.9 | 53% | 0.531 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -94.3 | 153.9 | 177.7 | -61.4 | -90.2 | 0 | 0 | 0 | 110.2 | N125 M127 | F120-N125 WeakPolarHBondContact CD1-O 3.39Å; F120-M127 HydrophobicContact CD1-CB 3.94Å; F120-M127 HydrophobicContact CE1-CB 3.86Å; F120-M127 HydrophobicContact CE1-CG 4.46Å |
| 121 | C | 87.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 43% | 0.427 | C | S | . | . | trans | -77.1 | 120.3 | 175 | 172.2 | 0 | 0 | 0 | 0 | 109.7 | V123 C124 N125 H126 I128 S145 I146 H147 | C121-V123 PolarHBondContact O-N 2.88Å; C121-V123 PolarHBondContact SG-N 3.35Å; C121-C124 VanDerWaalsContact SG-SG 3.61Å; C121-N125 WeakPolarHBondContact O-CA 3.43Å; C121-N125 PolarHBondContact O-N 2.84Å; C121-H126 WeakPolarHBondContact CB-O 3.32Å; C121-H126 PolarHBondContact N-O 2.85Å; C121-I128 HydrophobicContact CB-CG1 4.13Å; C121-S145 CarbonylContact C-O 3.56Å; C121-S145 VanDerWaalsContact CA-O 3.32Å; C121-S145 WeakPolarHBondContact CA-O 3.44Å; C121-I146 VanDerWaalsContact SG-CA 3.55Å; C121-H147 VanDerWaalsContact CB-CE1 3.42Å; C121-H147 WeakPolarHBondContact CB-CE1 3.24Å; C121-H147 WeakPolarHBondContact CB-ND1 3.4Å | ||
| 122 | D | 86.1 | Confident | 81.9 | Confident | 37 Ų | 37 | 84.6 Ų | 84.6 | 20% | 0.198 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 8.6 | 179.7 | -62.2 | -61.2 | 0 | 0 | 0 | 113.5 | M144 S145 R168 | D122-M144 HydrophobicContact CB-CE 4.36Å; D122-M144 HydrophobicContact CB-CG 3.77Å; D122-M144 HydrophobicContact CB-SD 3.53Å; D122-M144 VanDerWaalsContact CB-SD 3.53Å; D122-M144 WeakPolarHBondContact OD2-CA 3.34Å; D122-S145 PolarHBondContact N-O 3.14Å; D122-S145 PolarHBondContact OD2-N 2.91Å; D122-R168 IonicContact OD1-NH1 2.75Å; D122-R168 PolarHBondContact OD1-NH1 2.93Å; D122-R168 IonicContact OD2-NH1 2.72Å |
| 123 | V | 85.3 | Confident | 80.6 | Confident | 55 Ų | 55 | 81.2 Ų | 81.2 | 33% | 0.333 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -54.4 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | C121 I146 C150 L154 | C121-V123 PolarHBondContact O-N 2.88Å; C121-V123 PolarHBondContact SG-N 3.35Å; V123-I146 HydrophobicContact CB-CG2 4.43Å; V123-I146 HydrophobicContact CG2-CG2 3.71Å; V123-C150 HydrophobicContact CB-CB 4.15Å; V123-C150 HydrophobicContact CG1-CB 4.15Å; V123-L154 HydrophobicContact CG2-CD1 4.02Å; V123-L154 HydrophobicContact CG2-CD2 3.58Å; V123-L154 HydrophobicContact CG2-CG 3.74Å |
| 124 | C | 84.7 | Confident | 79.6 | Confident | 46 Ų | 46 | 79.5 Ų | 79.5 | 31% | 0.311 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 2.9 | -177.4 | 71.1 | 0 | 0 | 0 | 0 | 113.7 | C121 H126 H147 | C121-C124 VanDerWaalsContact SG-SG 3.61Å; C124-H126 PolarHBondContact O-N 3.41Å; C124-H126 PolarHBondContact O-ND1 3.04Å; C124-H147 VanDerWaalsContact SG-CE1 3.52Å; C124-H147 PolarHBondContact SG-ND1 2.83Å; C124-H147 VanDerWaalsContact SG-ND1 3.4Å |
| 125 | N | 83.7 | Confident | 79.2 | Confident | 90 Ų | 90 | 79 Ų | 79 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | trans | 56.7 | -3 | -176.4 | -70.6 | -17.4 | 0 | 0 | 0 | 117 | F120 C121 Y171 | F120-N125 WeakPolarHBondContact CD1-O 3.39Å; C121-N125 WeakPolarHBondContact O-CA 3.43Å; C121-N125 PolarHBondContact O-N 2.84Å; N125-Y171 PolarHBondContact ND2-O 2.81Å | ||
| 126 | H | 82.3 | Confident | 79.4 | Confident | 133 Ų | 133 | 78.7 Ų | 78.7 | 62% | 0.616 | 42% | 0.419 | S | S | * | . | trans | -75.5 | 153.4 | 176.4 | -71.3 | 72.6 | 0 | 0 | 0 | 111.8 | C121 C124 H147 | C121-H126 WeakPolarHBondContact CB-O 3.32Å; C121-H126 PolarHBondContact N-O 2.85Å; C124-H126 PolarHBondContact O-N 3.41Å; C124-H126 PolarHBondContact O-ND1 3.04Å; H126-H147 PolarHBondContact O-CE1 3.14Å | ||
| 127 | M | 86.3 | Confident | 79.8 | Confident | 75 Ų | 75 | 69.9 Ų | 69.9 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -66 | 137.6 | 179.8 | -172.8 | 164.7 | 45.3 | 0 | 0 | 111.5 | P118 F120 V129 H147 | P118-M127 HydrophobicContact CB-SD 3.99Å; F120-M127 HydrophobicContact CD1-CB 3.94Å; F120-M127 HydrophobicContact CE1-CB 3.86Å; F120-M127 HydrophobicContact CE1-CG 4.46Å; M127-V129 HydrophobicContact CB-CG1 4.24Å; M127-V129 HydrophobicContact CE-CG1 3.78Å; M127-V129 HydrophobicContact CG-CG1 3.89Å; M127-V129 PolarHBondContact O-N 3.39Å; M127-V129 HydrophobicContact SD-CG1 4.33Å; M127-H147 PolarHBondContact O-NE2 2.89Å |
| 128 | I | 87.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -75.5 | 91.6 | 172.3 | -56.3 | 175.6 | 0 | 0 | 0 | 107.9 | F115 T119 C121 K134 H135 | F115-I128 HydrophobicContact CD2-CD1 4.38Å; F115-I128 HydrophobicContact CD2-CG2 3.92Å; F115-I128 HydrophobicContact CE1-CD1 4.48Å; F115-I128 HydrophobicContact CE2-CD1 3.89Å; F115-I128 HydrophobicContact CE2-CG2 4.05Å; F115-I128 HydrophobicContact CZ-CD1 3.95Å; T119-I128 HydrophobicContact CG2-CD1 4.27Å; T119-I128 WeakPolarHBondContact O-CB 3.47Å; T119-I128 PolarHBondContact O-N 3.3Å; C121-I128 HydrophobicContact CB-CG1 4.13Å; I128-K134 WeakPolarHBondContact O-CG 3.49Å; I128-H135 WeakPolarHBondContact CG2-O 3.49Å | ||
| 129 | V | 77.1 | Confident | 80.4 | Confident | 89 Ų | 89 | 60.7 Ų | 60.7 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | trans | -111 | 148.2 | 173.7 | -64.4 | 0 | 0 | 0 | 0 | 110 | M127 | M127-V129 HydrophobicContact CB-CG1 4.24Å; M127-V129 HydrophobicContact CE-CG1 3.78Å; M127-V129 HydrophobicContact CG-CG1 3.89Å; M127-V129 PolarHBondContact O-N 3.39Å; M127-V129 HydrophobicContact SD-CG1 4.33Å | ||
| 130 | G | 66.4 | Low | 80.5 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 44% | 0.443 | 35% | 0.348 | S | S | . | . | trans | -147 | 158.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | N132 A133 | G130-N132 PolarHBondContact O-N 2.93Å; G130-A133 CarbonylContact C-O 3.5Å; G130-A133 VanDerWaalsContact CA-O 3.24Å; G130-A133 WeakPolarHBondContact CA-O 3.36Å | ||
| 131 | T | 64.6 | Low | 80.4 | Confident | 153 Ų | 153 | 61.3 Ų | 61.3 | 94% | 0.939 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -68.7 | -28.6 | -166.1 | 45.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 132 | N | 58.3 | Low | 80.2 | Confident | 142 Ų | 142 | 62.5 Ų | 62.5 | 76% | 0.759 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -120.2 | -25.5 | 178.7 | 55.8 | 4.2 | 0 | 0 | 0 | 113.3 | G130 | G130-N132 PolarHBondContact O-N 2.93Š|
| 133 | A | 62.1 | Low | 80.2 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -155.2 | 159.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | I114 G130 H135 | I114-A133 HydrophobicContact CG2-CB 4.38Å; G130-A133 CarbonylContact C-O 3.5Å; G130-A133 VanDerWaalsContact CA-O 3.24Å; G130-A133 WeakPolarHBondContact CA-O 3.36Å; A133-H135 WeakPolarHBondContact CB-NE2 3.26Å; A133-H135 PolarHBondContact O-N 2.9Å |
| 134 | K | 68 | Low | 80.3 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 30% | 0.3 | 36% | 0.355 | S | S | . | . | trans | -76.5 | 74.4 | 173.7 | -64.9 | 176.7 | -178.7 | 166.7 | 0 | 109.6 | F115 I128 | F115-K134 HydrophobicContact CB-CB 4.02Å; F115-K134 WeakPolarHBondContact CD2-O 3.47Å; F115-K134 PolarHBondContact N-O 2.76Å; F115-K134 WeakPolarHBondContact O-CD 3.35Å; I128-K134 WeakPolarHBondContact O-CG 3.49Å | ||
| 135 | H | 79.9 | Confident | 80.6 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.3 | 175.8 | -71.6 | -176.6 | 0 | 0 | 0 | 110.7 | I128 A133 | I128-H135 WeakPolarHBondContact CG2-O 3.49Å; A133-H135 WeakPolarHBondContact CB-NE2 3.26Å; A133-H135 PolarHBondContact O-N 2.9Å |
| 136 | G | 88.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | 178.4 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y113 I146 | Y113-G136 PolarHBondContact N-O 2.71Å; Y113-G136 PolarHBondContact O-N 3.12Å; G136-I146 CarbonylContact C-O 3.48Å; G136-I146 WeakPolarHBondContact CA-O 3.29Å |
| 137 | L | 89.4 | Confident | 81.2 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.2 | -176.1 | -64.1 | 169.7 | 0 | 0 | 0 | 110.6 | F110 Q111 D112 S145 I146 T151 | F110-L137 HydrophobicContact CB-CB 4.13Å; F110-L137 HydrophobicContact CB-CD1 4.46Å; F110-L137 HydrophobicContact CB-CD2 4.41Å; F110-L137 HydrophobicContact CD1-CB 3.78Å; F110-L137 HydrophobicContact CG-CB 4.16Å; Q111-L137 CarbonylContact O-C 3.59Å; Q111-L137 WeakPolarHBondContact O-CA 3.38Å; D112-L137 VanDerWaalsContact OD1-CD2 3.32Å; D112-L137 WeakPolarHBondContact OD1-CD2 3.47Å; L137-S145 CarbonylContact O-C 3.57Å; L137-S145 WeakPolarHBondContact O-CA 3.41Å; L137-I146 HydrophobicContact CB-CD1 4.36Å; L137-I146 HydrophobicContact CB-CG1 3.78Å; L137-I146 HydrophobicContact CD1-CD1 4.36Å; L137-I146 HydrophobicContact CD1-CG1 4.47Å; L137-I146 PolarHBondContact N-O 2.78Å; L137-I146 PolarHBondContact O-N 3.03Å; L137-T151 HydrophobicContact CD1-CG2 3.33Å |
| 138 | R | 89.3 | Confident | 81.3 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126.3 | 171.9 | 177.6 | 165 | -87.9 | 179.3 | -6.9 | 111.2 | Q111 Y113 F115 K140 M144 S145 | Q111-R138 PolarHBondContact N-O 3.06Å; Q111-R138 VanDerWaalsContact N-O 3.16Å; Q111-R138 PolarHBondContact O-N 3.49Å; Y113-R138 HydrophobicContact CD1-CB 4.47Å; Y113-R138 HydrophobicContact CG-CB 4.03Å; F115-R138 HydrophobicContact CZ-CB 4.21Å; R138-K140 PolarHBondContact O-N 2.95Å; R138-M144 CarbonylContact C-O 3.56Å; R138-M144 VanDerWaalsContact CA-O 3.26Å; R138-M144 WeakPolarHBondContact CA-O 3.34Å; R138-S145 PolarHBondContact NE-OG 3.12Å; R138-S145 PolarHBondContact NH2-OG 3.05Å |
| 139 | C | 89.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -68.7 | 127.1 | 178.8 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | A109 F110 A141 C142 K143 M144 | A109-C139 CarbonylContact O-C 3.56Å; A109-C139 WeakPolarHBondContact O-CA 3.38Å; F110-C139 HydrophobicContact CD1-CB 3.93Å; F110-C139 HydrophobicContact CE1-CB 3.71Å; F110-C139 HydrophobicContact CZ-CB 4.24Å; C139-A141 VanDerWaalsContact C-N 3.27Å; C139-A141 PolarHBondContact O-N 2.95Å; C139-C142 VanDerWaalsContact CB-SG 3.6Å; C139-K143 VanDerWaalsContact O-CA 3.27Å; C139-K143 WeakPolarHBondContact O-CA 3.47Å; C139-K143 PolarHBondContact O-N 2.96Å; C139-M144 HydrophobicContact CB-CB 4.1Å; C139-M144 PolarHBondContact N-O 3.29Å | ||
| 140 | K | 87.3 | Confident | 81.7 | Confident | 120 Ų | 120 | 61.6 Ų | 61.6 | 52% | 0.522 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -37.2 | -179.9 | -76.9 | 175.4 | 175 | 162 | 0 | 112.3 | A109 Q111 R138 K143 | A109-K140 PolarHBondContact O-N 3.11Å; Q111-K140 HydrophobicContact CB-CG 4.38Å; R138-K140 PolarHBondContact O-N 2.95Å; K140-K143 WeakPolarHBondContact O-CE 3.27Å; K140-K143 PolarHBondContact O-NZ 3.48Å |
| 141 | A | 83.9 | Confident | 82.5 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -68.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | C139 | C139-A141 VanDerWaalsContact C-N 3.27Å; C139-A141 PolarHBondContact O-N 2.95Å |
| 142 | C | 84.5 | Confident | 83.1 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 17% | 0.169 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4.8 | -171.9 | 61.1 | 0 | 0 | 0 | 0 | 115.8 | H108 C139 M144 G161 | H108-C142 VanDerWaalsContact CE1-SG 3.5Å; H108-C142 PolarHBondContact ND1-SG 3.06Å; H108-C142 VanDerWaalsContact ND1-SG 3.45Å; C139-C142 VanDerWaalsContact CB-SG 3.6Å; C142-M144 PolarHBondContact O-N 2.91Å; C142-M144 VanDerWaalsContact O-N 3.14Å; C142-G161 WeakPolarHBondContact CA-O 3.09Å; C142-G161 WeakPolarHBondContact CB-O 3.22Å |
| 143 | K | 86.6 | Confident | 83.7 | Confident | 109 Ų | 109 | 56.4 Ų | 56.4 | 47% | 0.474 | 29% | 0.292 | S | S | . | . | trans | 59.9 | 16.3 | -177.4 | -46.5 | -52.7 | -172.8 | -169.1 | 0 | 114.9 | C139 K140 S145 R168 | C139-K143 VanDerWaalsContact O-CA 3.27Å; C139-K143 WeakPolarHBondContact O-CA 3.47Å; C139-K143 PolarHBondContact O-N 2.96Å; K140-K143 WeakPolarHBondContact O-CE 3.27Å; K140-K143 PolarHBondContact O-NZ 3.48Å; K143-S145 PolarHBondContact O-OG 2.96Å; K143-S145 VanDerWaalsContact O-OG 3.11Å; K143-R168 PolarHBondContact O-NH2 3.47Å | ||
| 144 | M | 87.3 | Confident | 84 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 24% | 0.236 | 29% | 0.285 | C | S | . | . | trans | -47.6 | 138.5 | 162.4 | -151.2 | 77 | 125.6 | 0 | 0 | 109.6 | F110 D122 R138 C139 C142 I146 | F110-M144 HydrophobicContact CE1-CB 4.36Å; D122-M144 HydrophobicContact CB-CE 4.36Å; D122-M144 HydrophobicContact CB-CG 3.77Å; D122-M144 HydrophobicContact CB-SD 3.53Å; D122-M144 VanDerWaalsContact CB-SD 3.53Å; D122-M144 WeakPolarHBondContact OD2-CA 3.34Å; R138-M144 CarbonylContact C-O 3.56Å; R138-M144 VanDerWaalsContact CA-O 3.26Å; R138-M144 WeakPolarHBondContact CA-O 3.34Å; C139-M144 HydrophobicContact CB-CB 4.1Å; C139-M144 PolarHBondContact N-O 3.29Å; C142-M144 PolarHBondContact O-N 2.91Å; C142-M144 VanDerWaalsContact O-N 3.14Å; M144-I146 HydrophobicContact CG-CG2 4.48Å | ||
| 145 | S | 89.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.9 | -173.3 | -55 | 0 | 0 | 0 | 0 | 108.7 | F115 C121 D122 L137 R138 K143 | F115-S145 WeakPolarHBondContact CE1-OG 3.46Å; C121-S145 CarbonylContact C-O 3.56Å; C121-S145 VanDerWaalsContact CA-O 3.32Å; C121-S145 WeakPolarHBondContact CA-O 3.44Å; D122-S145 PolarHBondContact N-O 3.14Å; D122-S145 PolarHBondContact OD2-N 2.91Å; L137-S145 CarbonylContact O-C 3.57Å; L137-S145 WeakPolarHBondContact O-CA 3.41Å; R138-S145 PolarHBondContact NE-OG 3.12Å; R138-S145 PolarHBondContact NH2-OG 3.05Å; K143-S145 PolarHBondContact O-OG 2.96Å; K143-S145 VanDerWaalsContact O-OG 3.11Å |
| 146 | I | 90.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 161.7 | -172.3 | 66.2 | 174.2 | 0 | 0 | 0 | 112.5 | F110 C121 V123 G136 L137 M144 C150 T151 L154 | F110-I146 HydrophobicContact CD1-CD1 4.18Å; F110-I146 HydrophobicContact CD1-CG1 4.3Å; F110-I146 HydrophobicContact CD2-CD1 4.32Å; F110-I146 HydrophobicContact CE1-CD1 3.71Å; F110-I146 HydrophobicContact CE1-CG1 3.85Å; F110-I146 HydrophobicContact CE2-CD1 3.83Å; F110-I146 HydrophobicContact CG-CD1 4.49Å; F110-I146 HydrophobicContact CZ-CD1 3.53Å; F110-I146 HydrophobicContact CZ-CG1 4.16Å; C121-I146 VanDerWaalsContact SG-CA 3.55Å; V123-I146 HydrophobicContact CB-CG2 4.43Å; V123-I146 HydrophobicContact CG2-CG2 3.71Å; G136-I146 CarbonylContact C-O 3.48Å; G136-I146 WeakPolarHBondContact CA-O 3.29Å; L137-I146 HydrophobicContact CB-CD1 4.36Å; L137-I146 HydrophobicContact CB-CG1 3.78Å; L137-I146 HydrophobicContact CD1-CD1 4.36Å; L137-I146 HydrophobicContact CD1-CG1 4.47Å; L137-I146 PolarHBondContact N-O 2.78Å; L137-I146 PolarHBondContact O-N 3.03Å; M144-I146 HydrophobicContact CG-CG2 4.48Å; I146-C150 HydrophobicContact CB-CB 4.29Å; I146-T151 HydrophobicContact CD1-CG2 4.28Å; I146-L154 HydrophobicContact CD1-CD1 3.81Å; I146-L154 HydrophobicContact CG2-CD1 4.33Å |
| 147 | H | 89.9 | Confident | 81.9 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 17% | 0.171 | 35% | 0.346 | C | S | . | . | trans | -71.2 | 156.5 | 164.1 | -52.3 | 95 | 0 | 0 | 0 | 110.9 | C121 C124 H126 M127 K149 C150 | C121-H147 VanDerWaalsContact CB-CE1 3.42Å; C121-H147 WeakPolarHBondContact CB-CE1 3.24Å; C121-H147 WeakPolarHBondContact CB-ND1 3.4Å; C124-H147 VanDerWaalsContact SG-CE1 3.52Å; C124-H147 PolarHBondContact SG-ND1 2.83Å; C124-H147 VanDerWaalsContact SG-ND1 3.4Å; H126-H147 PolarHBondContact O-CE1 3.14Å; M127-H147 PolarHBondContact O-NE2 2.89Å; H147-K149 PolarHBondContact O-N 3.37Å; H147-C150 HydrophobicContact CB-CB 4.44Å; H147-C150 PolarHBondContact O-N 3.41Å | ||
| 148 | H | 88 | Confident | 81.5 | Confident | 91 Ų | 91 | 70.5 Ų | 70.5 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -58.3 | -32.8 | 172.1 | -66.2 | -100.5 | 0 | 0 | 0 | 112.7 | D112 C150 T151 | D112-H148 IonicContact OD1-CE1 3.22Å; D112-H148 PolarHBondContact OD1-CE1 3.18Å; D112-H148 VanDerWaalsContact OD1-CE1 3.22Å; H148-C150 PolarHBondContact O-N 3.33Å; H148-T151 PolarHBondContact O-OG1 3.5Å |
| 149 | K | 86.2 | Confident | 81.2 | Confident | 201 Ų | 201 | 68.5 Ų | 68.5 | 87% | 0.874 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -75.8 | 1.4 | 176.2 | -59.3 | -172.7 | 179 | -173.5 | 0 | 114.3 | H147 | H147-K149 PolarHBondContact O-N 3.37Š|
| 150 | C | 86.4 | Confident | 80.5 | Confident | 19 Ų | 19 | 74.2 Ų | 74.2 | 13% | 0.128 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -116.6 | 14.1 | -176.6 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | V123 I146 H147 H148 D152 | V123-C150 HydrophobicContact CB-CB 4.15Å; V123-C150 HydrophobicContact CG1-CB 4.15Å; I146-C150 HydrophobicContact CB-CB 4.29Å; H147-C150 HydrophobicContact CB-CB 4.44Å; H147-C150 PolarHBondContact O-N 3.41Å; H148-C150 PolarHBondContact O-N 3.33Å; C150-D152 VanDerWaalsContact C-N 3.35Å |
| 151 | T | 82.4 | Confident | 80.1 | Confident | 48 Ų | 48 | 69.8 Ų | 69.8 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -60.6 | -44.2 | 172.3 | 41.5 | 0 | 0 | 0 | 0 | 111.9 | L137 I146 H148 G153 L154 | L137-T151 HydrophobicContact CD1-CG2 3.33Å; I146-T151 HydrophobicContact CD1-CG2 4.28Å; H148-T151 PolarHBondContact O-OG1 3.5Å; T151-G153 PolarHBondContact O-N 3.48Å; T151-L154 WeakPolarHBondContact O-CB 3.39Å; T151-L154 PolarHBondContact O-N 3.42Å; T151-L154 VanDerWaalsContact O-N 3.09Å |
| 152 | D | 77.1 | Confident | 79.5 | Confident | 128 Ų | 128 | 76.9 Ų | 76.9 | 68% | 0.684 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -80.1 | -27.5 | -161.5 | -47.1 | -23 | 0 | 0 | 0 | 111.2 | C150 L154 A155 | C150-D152 VanDerWaalsContact C-N 3.35Å; D152-L154 PolarHBondContact O-N 3.42Å; D152-A155 WeakPolarHBondContact O-CB 3.47Å; D152-A155 PolarHBondContact O-N 3.01Å; D152-A155 VanDerWaalsContact O-N 3.11Å |
| 153 | G | 71 | Confident | 78.4 | Confident | 54 Ų | 54 | 79.7 Ų | 79.7 | 56% | 0.557 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -64.1 | -1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T151 | T151-G153 PolarHBondContact O-N 3.48Š|
| 154 | L | 68.3 | Low | 77.2 | Confident | 17 Ų | 17 | 78.9 Ų | 78.9 | 9% | 0.089 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -107 | 5.3 | 173.5 | -64.7 | 174.6 | 0 | 0 | 0 | 113.9 | F110 V123 I146 T151 D152 S156 Q157 | F110-L154 HydrophobicContact CE2-CD1 3.51Å; F110-L154 HydrophobicContact CZ-CD1 3.38Å; V123-L154 HydrophobicContact CG2-CD1 4.02Å; V123-L154 HydrophobicContact CG2-CD2 3.58Å; V123-L154 HydrophobicContact CG2-CG 3.74Å; I146-L154 HydrophobicContact CD1-CD1 3.81Å; I146-L154 HydrophobicContact CG2-CD1 4.33Å; T151-L154 WeakPolarHBondContact O-CB 3.39Å; T151-L154 PolarHBondContact O-N 3.42Å; T151-L154 VanDerWaalsContact O-N 3.09Å; D152-L154 PolarHBondContact O-N 3.42Å; L154-S156 PolarHBondContact O-N 3.05Å; L154-S156 VanDerWaalsContact O-N 3.08Å; L154-Q157 HydrophobicContact CB-CB 4.41Å; L154-Q157 HydrophobicContact CD2-CB 3.88Å; L154-Q157 HydrophobicContact CD2-CG 3.83Å; L154-Q157 PolarHBondContact O-N 2.93Å |
| 155 | A | 60.9 | Low | 75.5 | Confident | 102 Ų | 102 | 87.4 Ų | 87.4 | 84% | 0.843 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -29 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D152 | D152-A155 WeakPolarHBondContact O-CB 3.47Å; D152-A155 PolarHBondContact O-N 3.01Å; D152-A155 VanDerWaalsContact O-N 3.11Å |
| 156 | S | 61.1 | Low | 73.8 | Confident | 95 Ų | 95 | 90.7 Ų | 90.7 | 66% | 0.664 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -8.3 | 175.6 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | L154 | L154-S156 PolarHBondContact O-N 3.05Å; L154-S156 VanDerWaalsContact O-N 3.08Å |
| 157 | Q | 70.8 | Confident | 72 | Confident | 105 Ų | 105 | 98.1 Ų | 98.1 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | trans | -99 | 120.3 | -170.5 | -62.8 | -57.2 | -62.2 | 0 | 0 | 112 | H108 L154 | H108-Q157 PolarHBondContact CD2-O 3.37Å; H108-Q157 VanDerWaalsContact CD2-O 3.29Å; L154-Q157 HydrophobicContact CB-CB 4.41Å; L154-Q157 HydrophobicContact CD2-CB 3.88Å; L154-Q157 HydrophobicContact CD2-CG 3.83Å; L154-Q157 PolarHBondContact O-N 2.93Å | ||
| 158 | R | 80.8 | Confident | 70.3 | Confident | 182 Ų | 182 | 102 Ų | 102 | 69% | 0.687 | 54% | 0.543 | S | S | * | . | trans | -84.5 | 139.9 | 177.4 | -64.3 | -178 | 179.2 | -178.6 | -0 | 110.9 | M160 | R158-M160 HydrophobicContact CB-CE 3.92Å; R158-M160 VanDerWaalsContact O-CE 3.27Å; R158-M160 WeakPolarHBondContact O-CE 3.23Å; R158-M160 PolarHBondContact O-N 2.94Å; R158-M160 VanDerWaalsContact O-N 3.14Å | ||
| 159 | C | 82.6 | Confident | 68.6 | Low | 17 Ų | 17 | 103.3 Ų | 103.3 | 12% | 0.115 | 54% | 0.544 | C | S | . | . | trans | -77.5 | 104.9 | -173.8 | 178.6 | 0 | 0 | 0 | 0 | 112.6 | K106 H108 G161 | K106-C159 VanDerWaalsContact O-CB 3.23Å; K106-C159 WeakPolarHBondContact O-CB 3.27Å; K106-C159 PolarHBondContact O-N 3.06Å; K106-C159 VanDerWaalsContact O-N 3.12Å; H108-C159 HydrophobicContact CB-CB 4.38Å; H108-C159 WeakPolarHBondContact NE2-CA 3.32Å; C159-G161 PolarHBondContact O-N 3.23Å | ||
| 160 | M | 75.1 | Confident | 66.5 | Low | 119 Ų | 119 | 102.6 Ų | 102.6 | 59% | 0.586 | 54% | 0.538 | S | S | * | . | trans | -67.1 | 20.1 | -176.8 | -62.1 | -66.7 | 101.9 | 0 | 0 | 116.9 | R158 L163 | R158-M160 HydrophobicContact CB-CE 3.92Å; R158-M160 VanDerWaalsContact O-CE 3.27Å; R158-M160 WeakPolarHBondContact O-CE 3.23Å; R158-M160 PolarHBondContact O-N 2.94Å; R158-M160 VanDerWaalsContact O-N 3.14Å; M160-L163 HydrophobicContact CB-CD1 3.79Å; M160-L163 WeakPolarHBondContact O-CD1 3.5Å | ||
| 161 | G | 79 | Confident | 64.6 | Low | 27 Ų | 27 | 108.1 Ų | 108.1 | 28% | 0.278 | 56% | 0.557 | S | S | . | * | trans | 62.9 | -162.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | C142 C159 L163 | C142-G161 WeakPolarHBondContact CA-O 3.09Å; C142-G161 WeakPolarHBondContact CB-O 3.22Å; C159-G161 PolarHBondContact O-N 3.23Å; G161-L163 PolarHBondContact O-N 3.42Å; G161-L163 VanDerWaalsContact O-N 3.12Å | ||
| 162 | K | 71.9 | Confident | 62.7 | Low | 189 Ų | 189 | 109.6 Ų | 109.6 | 82% | 0.822 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -78.1 | 89.2 | 179.8 | -67.3 | 176.9 | -175.6 | 170.8 | 0 | 110.2 | ||
| 163 | L | 62.1 | Low | 60.7 | Low | 85 Ų | 85 | 108.5 Ų | 108.5 | 45% | 0.445 | 57% | 0.571 | S | S | . | * | trans | -57.8 | 140.6 | 173.1 | -93.9 | 78.8 | 0 | 0 | 0 | 111.5 | M160 G161 F167 | M160-L163 HydrophobicContact CB-CD1 3.79Å; M160-L163 WeakPolarHBondContact O-CD1 3.5Å; G161-L163 PolarHBondContact O-N 3.42Å; G161-L163 VanDerWaalsContact O-N 3.12Å; L163-F167 HydrophobicContact CD2-CB 4.4Å; L163-F167 WeakPolarHBondContact CD2-O 3.46Å | ||
| 164 | P | 60.6 | Low | 59.1 | Low | 91 Ų | 91 | 111.4 Ų | 111.4 | 59% | 0.591 | 58% | 0.58 | S | S | * | * | trans | -53.9 | 143.2 | 172.8 | -27.8 | 35.6 | 0 | 0 | 0 | 112.6 | G166 F167 | P164-G166 VanDerWaalsContact C-N 3.26Å; P164-G166 PolarHBondContact O-N 3.17Å; P164-F167 PolarHBondContact O-N 3.03Å; P164-F167 VanDerWaalsContact O-N 3.17Å | ||
| 165 | K | 51.6 | Low | 57.5 | Low | 228 Ų | 228 | 117.6 Ų | 117.6 | 99% | 0.991 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 79.2 | -180 | -65.1 | -179.8 | -176.1 | 174.2 | 0 | 111.2 | ||
| 166 | G | 54.3 | Low | 56.6 | Low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 167.7 | -26.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P164 | P164-G166 VanDerWaalsContact C-N 3.26Å; P164-G166 PolarHBondContact O-N 3.17Å |
| 167 | F | 52.8 | Low | 55.5 | Low | 157 Ų | 157 | 122.3 Ų | 122.3 | 69% | 0.689 | 61% | 0.614 | S | S | * | * | trans | -103.9 | 35.1 | -179.1 | -78.1 | -86.5 | 0 | 0 | 0 | 113.9 | L163 P164 R169 | L163-F167 HydrophobicContact CD2-CB 4.4Å; L163-F167 WeakPolarHBondContact CD2-O 3.46Å; P164-F167 PolarHBondContact O-N 3.03Å; P164-F167 VanDerWaalsContact O-N 3.17Å; F167-R169 PolarHBondContact O-N 2.65Å | ||
| 168 | R | 54.3 | Low | 54.1 | Low | 119 Ų | 119 | 126.3 Ų | 126.3 | 45% | 0.449 | 63% | 0.632 | S | S | . | * | trans | -64.8 | 109.3 | 164.6 | -108.6 | -165.8 | 178.4 | -95.2 | -6.1 | 108.1 | D122 K143 Y170 | D122-R168 IonicContact OD1-NH1 2.75Å; D122-R168 PolarHBondContact OD1-NH1 2.93Å; D122-R168 IonicContact OD2-NH1 2.72Å; K143-R168 PolarHBondContact O-NH2 3.47Å; R168-Y170 PolarHBondContact O-N 3Å | ||
| 169 | R | 52.3 | Low | 52.3 | Low | 117 Ų | 117 | 125.7 Ų | 125.7 | 44% | 0.442 | 64% | 0.637 | S | S | . | * | trans | -61.7 | 100.9 | 162.3 | -69.4 | -167.6 | -170.4 | -159 | 3 | 107.5 | F167 Y171 I356 | F167-R169 PolarHBondContact O-N 2.65Å; R169-Y171 HydrophobicContact CB-CD2 4.36Å; R169-Y171 HydrophobicContact CB-CE2 4.2Å; R169-Y171 WeakPolarHBondContact CD-OH 3.3Å; R169-Y171 PolarHBondContact NH1-OH 2.99Å; R169-Y171 PolarHBondContact O-N 3.09Å; R169-I356 VanDerWaalsContact NH2-CG1 3.33Å | ||
| 170 | Y | 40.8 | Very low | 50.3 | Low | 187 Ų | 187 | 133.1 Ų | 133.1 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | trans | -69.9 | 111.5 | 152.8 | -83.5 | -86.9 | 0 | 0 | 0 | 106.4 | R168 S172 | R168-Y170 PolarHBondContact O-N 3Å; Y170-S172 PolarHBondContact O-N 2.83Å | ||
| 171 | Y | 46.3 | Very low | 48.5 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 53% | 0.529 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -75.6 | 44.8 | 169.5 | -79.3 | -73 | 0 | 0 | 0 | 111 | N125 R169 | N125-Y171 PolarHBondContact ND2-O 2.81Å; R169-Y171 HydrophobicContact CB-CD2 4.36Å; R169-Y171 HydrophobicContact CB-CE2 4.2Å; R169-Y171 WeakPolarHBondContact CD-OH 3.3Å; R169-Y171 PolarHBondContact NH1-OH 2.99Å; R169-Y171 PolarHBondContact O-N 3.09Å |
| 172 | S | 43.7 | Very low | 46.3 | Very low | 78 Ų | 78 | 140.1 Ų | 140.1 | 55% | 0.545 | 71% | 0.713 | S | S | . | * | trans | -135.6 | 47.6 | -178.4 | 71 | 0 | 0 | 0 | 0 | 110.5 | Y170 P174 | Y170-S172 PolarHBondContact O-N 2.83Å; S172-P174 WeakPolarHBondContact O-CD 3.47Å | ||
| 173 | S | 34.7 | Very low | 44.7 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -70.5 | 118.1 | 137.8 | -63.9 | 0 | 0 | 0 | 0 | 105.7 | L175 | S173-L175 PolarHBondContact O-N 3.18Š|
| 174 | P | 37.4 | Very low | 43.6 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 125.4 | 170 | -20.1 | 32.7 | 0 | 0 | 0 | 108.1 | S172 L176 | S172-P174 WeakPolarHBondContact O-CD 3.47Å; P174-L176 PolarHBondContact O-N 3.12Å |
| 175 | L | 35.4 | Very low | 42.8 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 118 | 163.1 | -64.8 | 174.8 | 0 | 0 | 0 | 106 | S173 I177 | S173-L175 PolarHBondContact O-N 3.18Å; L175-I177 HydrophobicContact CB-CD1 4.21Å; L175-I177 HydrophobicContact CB-CG1 3.82Å; L175-I177 HydrophobicContact CD1-CD1 4.48Å; L175-I177 PolarHBondContact O-N 3.17Å |
| 176 | L | 40.1 | Very low | 42.4 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 91% | 0.911 | 73% | 0.732 | S | S | * | * | trans | -73.8 | 71.1 | 169.4 | -74.4 | 173.1 | 0 | 0 | 0 | 108.4 | P174 H178 | P174-L176 PolarHBondContact O-N 3.12Å; L176-H178 PolarHBondContact O-N 2.75Å; L176-H178 VanDerWaalsContact O-N 3.15Å | ||
| 177 | I | 39.2 | Very low | 41.5 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 62% | 0.621 | 74% | 0.735 | S | S | * | * | trans | -67.4 | 108.9 | 171.4 | -62.1 | 175.4 | 0 | 0 | 0 | 106.5 | L175 E179 | L175-I177 HydrophobicContact CB-CD1 4.21Å; L175-I177 HydrophobicContact CB-CG1 3.82Å; L175-I177 HydrophobicContact CD1-CD1 4.48Å; L175-I177 PolarHBondContact O-N 3.17Å; I177-E179 HydrophobicContact CG2-CB 3.93Å; I177-E179 PolarHBondContact O-N 3.28Å | ||
| 178 | H | 40.6 | Very low | 41 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.875 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -74.4 | 71.5 | 179.9 | 172.8 | 78.8 | 0 | 0 | 0 | 110 | L176 | L176-H178 PolarHBondContact O-N 2.75Å; L176-H178 VanDerWaalsContact O-N 3.15Å |
| 179 | E | 42.7 | Very low | 40.5 | Very low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -151.3 | 16.5 | -174.7 | -142.8 | 165.9 | -154 | 0 | 0 | 116.3 | I177 | I177-E179 HydrophobicContact CG2-CB 3.93Å; I177-E179 PolarHBondContact O-N 3.28Å | ||
| 180 | Q | 40.7 | Very low | 40.1 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -140.9 | 52.6 | 173.8 | -151.3 | 169.3 | 16.5 | 0 | 0 | 115.7 | ||
| 181 | F | 37.4 | Very low | 39.7 | Very low | 214 Ų | 214 | 142.5 Ų | 142.5 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | trans | -131.8 | 43.7 | 163.3 | -74.7 | -72.4 | 0 | 0 | 0 | 112.1 | ||||
| 182 | G | 33.2 | Very low | 39.7 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -83.6 | -3.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 183 | C | 38.9 | Very low | 39.4 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -141.6 | 36.6 | -162.3 | 49.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 184 | I | 37.8 | Very low | 40.3 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | trans | -131.1 | 92.3 | 148.6 | -52 | 179.6 | 0 | 0 | 0 | 108.1 | ||||
| 185 | K | 43.8 | Very low | 41.1 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | -116.8 | 150.6 | 163 | -161.2 | 178.2 | -174.6 | -176.9 | 0 | 106 | ||||
| 186 | E | 44.3 | Very low | 42.7 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 73.2 | 124.8 | -161.6 | -51.6 | 173.9 | -167.5 | 0 | 0 | 111 | ||||
| 187 | V | 34.4 | Very low | 44.4 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | cis | -134.6 | 137.7 | 4.8 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 188 | M | 42.1 | Very low | 46.1 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -100.2 | 142.2 | 153.8 | -100.4 | -169.4 | 71.6 | 0 | 0 | 108.3 | ||||
| 189 | P | 44.2 | Very low | 48 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | -143.5 | 147.9 | 104.2 | 36.2 | -21.7 | 0 | 0 | 0 | 115.9 | |||||
| 190 | I | 44.4 | Very low | 49.6 | Very low | 153 Ų | 153 | 135 Ų | 135 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 37.7 | 111 | 134.9 | -47.8 | 165.6 | 0 | 0 | 0 | 118.2 | ||||
| 191 | A | 33.1 | Very low | 51.3 | Low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | trans | -162.3 | 136.1 | 139.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 192 | C | 46.1 | Very low | 53.2 | Low | 140 Ų | 140 | 126.1 Ų | 126.1 | 95% | 0.946 | 72% | 0.719 | S | S | * | * | trans | -74.8 | 139.4 | 161.5 | -60.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 193 | G | 37.8 | Very low | 55.4 | Low | 57 Ų | 57 | 127.9 Ų | 127.9 | 59% | 0.588 | 71% | 0.709 | S | S | * | * | trans | -178.6 | 138.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K195 | G193-K195 VanDerWaalsContact C-N 3.27Å; G193-K195 PolarHBondContact O-N 3.16Å | ||
| 194 | N | 52.7 | Low | 57.5 | Low | 178 Ų | 178 | 129.6 Ų | 129.6 | 95% | 0.952 | 70% | 0.699 | S | S | * | * | trans | -72.9 | 75.9 | -178.9 | -67.3 | -32.2 | 0 | 0 | 0 | 111.5 | ||||
| 195 | K | 53.6 | Low | 59.4 | Low | 196 Ų | 196 | 127.9 Ų | 127.9 | 85% | 0.852 | 69% | 0.686 | S | S | * | * | trans | -113.2 | 96.6 | 178.6 | -63.3 | -172.8 | -179.1 | -177.6 | 0 | 109.4 | G193 | G193-K195 VanDerWaalsContact C-N 3.27Å; G193-K195 PolarHBondContact O-N 3.16Å | ||
| 196 | V | 69.1 | Low | 61.2 | Low | 87 Ų | 87 | 120.4 Ų | 120.4 | 53% | 0.527 | 67% | 0.665 | S | S | . | * | trans | -67 | 145.5 | 173 | 171.6 | 0 | 0 | 0 | 0 | 109.2 | Y200 | V196-Y200 HydrophobicContact CG1-CD1 3.31Å; V196-Y200 HydrophobicContact CG1-CE1 4.06Å; V196-Y200 HydrophobicContact CG1-CG 3.95Å | ||
| 197 | D | 75.4 | Confident | 62.6 | Low | 96 Ų | 96 | 116.1 Ų | 116.1 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | trans | -57.3 | 130.6 | 178.7 | -173.4 | -55.1 | 0 | 0 | 0 | 111 | V199 Y200 E201 | D197-V199 PolarHBondContact O-N 3.38Å; D197-V199 VanDerWaalsContact O-N 3.12Å; D197-V199 WeakPolarHBondContact OD1-CA 3.4Å; D197-V199 VanDerWaalsContact OD1-CB 3.22Å; D197-V199 WeakPolarHBondContact OD1-CB 3.46Å; D197-V199 WeakPolarHBondContact OD1-CG2 3.08Å; D197-V199 PolarHBondContact OD1-N 3.25Å; D197-Y200 WeakPolarHBondContact O-CA 3.08Å; D197-Y200 WeakPolarHBondContact O-CB 3.2Å; D197-Y200 PolarHBondContact O-N 3.28Å; D197-E201 PolarHBondContact O-N 2.92Å | ||
| 198 | P | 76.4 | Confident | 64.5 | Low | 94 Ų | 94 | 112.8 Ų | 112.8 | 61% | 0.61 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -54.7 | -29.6 | 178.9 | -27.6 | 35.4 | 0 | 0 | 0 | 114.6 | T202 | P198-T202 VanDerWaalsContact O-CB 3.29Å; P198-T202 WeakPolarHBondContact O-CB 3.25Å; P198-T202 PolarHBondContact O-N 3.43Å; P198-T202 PolarHBondContact O-OG1 2.89Å |
| 199 | V | 79.4 | Confident | 66 | Low | 95 Ų | 95 | 109.2 Ų | 109.2 | 58% | 0.576 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.2 | -42.9 | 174.6 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | D197 T202 L203 | D197-V199 PolarHBondContact O-N 3.38Å; D197-V199 VanDerWaalsContact O-N 3.12Å; D197-V199 WeakPolarHBondContact OD1-CA 3.4Å; D197-V199 VanDerWaalsContact OD1-CB 3.22Å; D197-V199 WeakPolarHBondContact OD1-CB 3.46Å; D197-V199 WeakPolarHBondContact OD1-CG2 3.08Å; D197-V199 PolarHBondContact OD1-N 3.25Å; V199-T202 PolarHBondContact O-N 2.85Å; V199-L203 HydrophobicContact CG1-CD1 4.11Å; V199-L203 WeakPolarHBondContact O-CB 3.37Å; V199-L203 VanDerWaalsContact O-CG 3.24Å; V199-L203 WeakPolarHBondContact O-CG 3.46Å; V199-L203 PolarHBondContact O-N 3.23Å |
| 200 | Y | 77.3 | Confident | 67 | Low | 133 Ų | 133 | 107.5 Ų | 107.5 | 52% | 0.522 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.8 | -42.4 | 175.2 | -178.7 | -77.5 | 0 | 0 | 0 | 111.2 | V196 D197 L203 R204 | V196-Y200 HydrophobicContact CG1-CD1 3.31Å; V196-Y200 HydrophobicContact CG1-CE1 4.06Å; V196-Y200 HydrophobicContact CG1-CG 3.95Å; D197-Y200 WeakPolarHBondContact O-CA 3.08Å; D197-Y200 WeakPolarHBondContact O-CB 3.2Å; D197-Y200 PolarHBondContact O-N 3.28Å; Y200-L203 PolarHBondContact O-N 3.06Å; Y200-R204 HydrophobicContact CE1-CB 4.49Å; Y200-R204 VanDerWaalsContact O-CB 3.3Å; Y200-R204 WeakPolarHBondContact O-CB 3.35Å; Y200-R204 PolarHBondContact O-N 3.35Å |
| 201 | E | 75.8 | Confident | 67.8 | Low | 99 Ų | 99 | 107 Ų | 107 | 46% | 0.463 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.8 | -48.2 | 176 | -178.8 | 162.8 | -139.9 | 0 | 0 | 111.2 | D197 L203 R204 F205 | D197-E201 PolarHBondContact O-N 2.92Å; E201-L203 PolarHBondContact O-N 3Å; E201-R204 WeakPolarHBondContact O-CB 3.26Å; E201-R204 PolarHBondContact O-N 2.79Å; E201-F205 HydrophobicContact CG-CD2 3.73Å; E201-F205 HydrophobicContact CG-CE2 3.74Å; E201-F205 WeakPolarHBondContact O-CD2 3.41Å; E201-F205 PolarHBondContact O-N 3.17Å |
| 202 | T | 76.9 | Confident | 69.1 | Low | 102 Ų | 102 | 109.6 Ų | 109.6 | 63% | 0.626 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.7 | -45.7 | 175.7 | -59 | 0 | 0 | 0 | 0 | 112.1 | P198 V199 R204 F205 G206 | P198-T202 VanDerWaalsContact O-CB 3.29Å; P198-T202 WeakPolarHBondContact O-CB 3.25Å; P198-T202 PolarHBondContact O-N 3.43Å; P198-T202 PolarHBondContact O-OG1 2.89Å; V199-T202 PolarHBondContact O-N 2.85Å; T202-R204 PolarHBondContact O-N 2.9Å; T202-F205 PolarHBondContact O-N 2.75Å; T202-G206 PolarHBondContact O-N 2.72Å |
| 203 | L | 80.8 | Confident | 69.6 | Low | 117 Ų | 117 | 108.4 Ų | 108.4 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.6 | -39.7 | 176.7 | -74.9 | 168.7 | 0 | 0 | 0 | 112.4 | V199 Y200 E201 G206 T207 | V199-L203 HydrophobicContact CG1-CD1 4.11Å; V199-L203 WeakPolarHBondContact O-CB 3.37Å; V199-L203 VanDerWaalsContact O-CG 3.24Å; V199-L203 WeakPolarHBondContact O-CG 3.46Å; V199-L203 PolarHBondContact O-N 3.23Å; Y200-L203 PolarHBondContact O-N 3.06Å; E201-L203 PolarHBondContact O-N 3Å; L203-G206 PolarHBondContact O-N 2.98Å; L203-T207 PolarHBondContact O-N 3.38Å; L203-T207 PolarHBondContact O-OG1 3.39Å; L203-T207 VanDerWaalsContact O-OG1 3.06Å |
| 204 | R | 82.4 | Confident | 70.3 | Confident | 150 Ų | 150 | 115 Ų | 115 | 57% | 0.566 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.4 | -49 | 177 | -174.2 | -177.6 | -177.5 | 104.3 | -3.9 | 111 | Y200 E201 T202 G206 T207 S208 | Y200-R204 HydrophobicContact CE1-CB 4.49Å; Y200-R204 VanDerWaalsContact O-CB 3.3Å; Y200-R204 WeakPolarHBondContact O-CB 3.35Å; Y200-R204 PolarHBondContact O-N 3.35Å; E201-R204 WeakPolarHBondContact O-CB 3.26Å; E201-R204 PolarHBondContact O-N 2.79Å; T202-R204 PolarHBondContact O-N 2.9Å; R204-G206 VanDerWaalsContact C-N 3.33Å; R204-G206 PolarHBondContact O-N 3.02Å; R204-T207 PolarHBondContact O-N 3.1Å; R204-T207 PolarHBondContact O-OG1 3.36Å; R204-S208 PolarHBondContact O-N 3.39Å; R204-S208 PolarHBondContact O-OG 3.24Å |
| 205 | F | 76.8 | Confident | 70.3 | Confident | 124 Ų | 124 | 116 Ų | 116 | 54% | 0.544 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.8 | -42.6 | 174.7 | -88 | -75.1 | 0 | 0 | 0 | 112.2 | E201 T202 T207 S208 L209 | E201-F205 HydrophobicContact CG-CD2 3.73Å; E201-F205 HydrophobicContact CG-CE2 3.74Å; E201-F205 WeakPolarHBondContact O-CD2 3.41Å; E201-F205 PolarHBondContact O-N 3.17Å; T202-F205 PolarHBondContact O-N 2.75Å; F205-T207 PolarHBondContact O-N 3.13Å; F205-S208 CarbonylContact O-C 3.6Å; F205-S208 PolarHBondContact O-N 3.36Å; F205-L209 PolarHBondContact O-N 3.03Å |
| 206 | G | 81.4 | Confident | 70 | Confident | 41 Ų | 41 | 109.6 Ų | 109.6 | 42% | 0.423 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.2 | -46.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T202 L203 R204 L209 A210 | T202-G206 PolarHBondContact O-N 2.72Å; L203-G206 PolarHBondContact O-N 2.98Å; R204-G206 VanDerWaalsContact C-N 3.33Å; R204-G206 PolarHBondContact O-N 3.02Å; G206-L209 PolarHBondContact O-N 2.99Å; G206-A210 PolarHBondContact O-N 3.04Å |
| 207 | T | 75.4 | Confident | 68.8 | Low | 83 Ų | 83 | 111.2 Ų | 111.2 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.2 | -37.5 | 177 | 47 | 0 | 0 | 0 | 0 | 112.6 | L203 R204 F205 L209 A210 Q211 | L203-T207 PolarHBondContact O-N 3.38Å; L203-T207 PolarHBondContact O-OG1 3.39Å; L203-T207 VanDerWaalsContact O-OG1 3.06Å; R204-T207 PolarHBondContact O-N 3.1Å; R204-T207 PolarHBondContact O-OG1 3.36Å; F205-T207 PolarHBondContact O-N 3.13Å; T207-L209 VanDerWaalsContact C-N 3.3Å; T207-L209 PolarHBondContact O-N 3.05Å; T207-A210 PolarHBondContact O-N 3.09Å; T207-Q211 WeakPolarHBondContact O-CG 3.39Å; T207-Q211 PolarHBondContact O-N 3.49Å; T207-Q211 VanDerWaalsContact O-N 3.16Å |
| 208 | S | 74.1 | Confident | 67.2 | Low | 56 Ų | 56 | 112.3 Ų | 112.3 | 39% | 0.392 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.6 | -16.1 | 172.4 | -62 | 0 | 0 | 0 | 0 | 114.7 | R204 F205 R212 | R204-S208 PolarHBondContact O-N 3.39Å; R204-S208 PolarHBondContact O-OG 3.24Å; F205-S208 CarbonylContact O-C 3.6Å; F205-S208 PolarHBondContact O-N 3.36Å; S208-R212 PolarHBondContact O-NE 3.17Å; S208-R212 PolarHBondContact O-NH2 2.82Å |
| 209 | L | 72.1 | Confident | 65.3 | Low | 94 Ų | 94 | 111.3 Ų | 111.3 | 49% | 0.492 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -80.7 | -38.9 | 165.8 | -108.2 | 89.4 | 0 | 0 | 0 | 112.1 | F205 G206 T207 Q211 R212 T213 | F205-L209 PolarHBondContact O-N 3.03Å; G206-L209 PolarHBondContact O-N 2.99Å; T207-L209 VanDerWaalsContact C-N 3.3Å; T207-L209 PolarHBondContact O-N 3.05Å; L209-Q211 VanDerWaalsContact C-N 3.28Å; L209-Q211 PolarHBondContact O-N 3.34Å; L209-R212 WeakPolarHBondContact O-CG 3.37Å; L209-T213 PolarHBondContact O-OG1 3.48Å |
| 210 | A | 66.2 | Low | 63.2 | Low | 65 Ų | 65 | 113.5 Ų | 113.5 | 54% | 0.537 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -69.9 | -22.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G206 T207 T213 | G206-A210 PolarHBondContact O-N 3.04Å; T207-A210 PolarHBondContact O-N 3.09Å; A210-T213 PolarHBondContact O-OG1 3.05Å |
| 211 | Q | 60.8 | Low | 61 | Low | 143 Ų | 143 | 110.6 Ų | 110.6 | 67% | 0.668 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -82.6 | -36.9 | 177.7 | -72.9 | 176 | -12.2 | 0 | 0 | 113.2 | T207 L209 K214 | T207-Q211 WeakPolarHBondContact O-CG 3.39Å; T207-Q211 PolarHBondContact O-N 3.49Å; T207-Q211 VanDerWaalsContact O-N 3.16Å; L209-Q211 VanDerWaalsContact C-N 3.28Å; L209-Q211 PolarHBondContact O-N 3.34Å; Q211-K214 PolarHBondContact O-N 3.07Å |
| 212 | R | 60.3 | Low | 59.3 | Low | 151 Ų | 151 | 111.6 Ų | 111.6 | 57% | 0.57 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69.7 | -33.1 | -178.5 | 72.2 | -174.7 | 75.2 | 163.9 | -0.5 | 113.1 | S208 L209 K214 K215 | S208-R212 PolarHBondContact O-NE 3.17Å; S208-R212 PolarHBondContact O-NH2 2.82Å; L209-R212 WeakPolarHBondContact O-CG 3.37Å; R212-K214 PolarHBondContact O-N 3.15Å; R212-K215 PolarHBondContact O-N 2.73Å |
| 213 | T | 57 | Low | 57.1 | Low | 115 Ų | 115 | 113.6 Ų | 113.6 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -10 | 177.8 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | L209 A210 | L209-T213 PolarHBondContact O-OG1 3.48Å; A210-T213 PolarHBondContact O-OG1 3.05Å |
| 214 | K | 53.4 | Low | 54.7 | Low | 195 Ų | 195 | 112.6 Ų | 112.6 | 85% | 0.848 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 4.9 | 177.2 | -130.4 | -179 | -175.6 | -174.4 | 0 | 114.4 | Q211 R212 | Q211-K214 PolarHBondContact O-N 3.07Å; R212-K214 PolarHBondContact O-N 3.15Å |
| 215 | K | 51.2 | Low | 53.2 | Low | 199 Ų | 199 | 111 Ų | 111 | 87% | 0.865 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -134.5 | 51 | -178.6 | -156.4 | -175.9 | -178.1 | -174.3 | 0 | 112.5 | R212 | R212-K215 PolarHBondContact O-N 2.73Š|
| 216 | G | 48.5 | Very low | 50.9 | Low | 62 Ų | 62 | 113 Ų | 113 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | trans | -132 | 121 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 217 | S | 42.3 | Very low | 48.6 | Very low | 122 Ų | 122 | 120.5 Ų | 120.5 | 85% | 0.853 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 65 | 132.3 | -164.4 | -142.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 218 | S | 42 | Very low | 46.4 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | cis | -98.7 | 172.5 | -0.7 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 219 | G | 36.3 | Very low | 44.4 | Very low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | -122.9 | -168.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 220 | S | 36.4 | Very low | 42.4 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 99% | 0.986 | 75% | 0.754 | S | S | * | * | trans | 78.4 | 141.7 | -178.6 | -149.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 221 | G | 31.8 | Very low | 40.9 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | 119 | 119.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 222 | S | 40.1 | Very low | 39.4 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | -62.9 | 166.9 | 167.8 | 46.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 223 | D | 30.3 | Very low | 38.1 | Very low | 143 Ų | 143 | 127.3 Ų | 127.3 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | cis | -154.3 | 178.5 | 27.5 | -168.2 | 28.6 | 0 | 0 | 0 | 113.4 | ||||
| 224 | S | 29.6 | Very low | 36.7 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -165.7 | 153.2 | 170.5 | -75.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 225 | P | 51.4 | Low | 35.6 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | cis | -123.5 | -131.7 | 5.1 | 26.2 | 1.1 | 0 | 0 | 0 | 110.1 | ||||
| 226 | H | 28.6 | Very low | 34.8 | Very low | 165 Ų | 165 | 122.6 Ų | 122.6 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | cis | -149.1 | -92.1 | -4.6 | -156.8 | 38.3 | 0 | 0 | 0 | 116.8 | ||||
| 227 | R | 33.3 | Very low | 34.4 | Very low | 200 Ų | 200 | 125.6 Ų | 125.6 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -163.8 | 166.8 | -148.4 | -89.9 | -72.6 | -175.1 | -133.2 | 3.9 | 114.9 | ||||
| 228 | T | 27.7 | Very low | 34 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | 64.2 | 108 | 151.9 | 41.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 229 | S | 32.7 | Very low | 33.6 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | 2.1 | 130 | 132 | 168.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 230 | T | 31.3 | Very low | 33.4 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | -167.2 | 144.4 | 112.2 | 25.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 231 | S | 33.3 | Very low | 33 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | trans | 46.5 | 150.9 | 141.6 | -43.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 232 | D | 30.5 | Very low | 32.9 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | 69.6 | 148.8 | 150.2 | -52.8 | -33.1 | 0 | 0 | 0 | 120.1 | ||||
| 233 | L | 31.4 | Very low | 33.2 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | cis | -166.7 | 149.9 | -29.4 | -113.1 | -179.1 | 0 | 0 | 0 | 107.2 | ||||
| 234 | V | 29.6 | Very low | 33.1 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | 66.8 | 154.1 | 166.7 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 235 | E | 28.7 | Very low | 33.1 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | cis | -142.6 | 163 | 21 | -152.8 | 143.3 | -145 | 0 | 0 | 112.6 | ||||
| 236 | V | 35.3 | Very low | 32.1 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -118.9 | 133.9 | 166.8 | 173.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 237 | P | 39.4 | Very low | 32.5 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -114.2 | 157.6 | 141.1 | -8.7 | 28.5 | 0 | 0 | 0 | 112.9 | ||||
| 238 | E | 34.7 | Very low | 32.5 | Very low | 164 Ų | 164 | 124.9 Ų | 124.9 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -128.8 | 174.4 | -170.5 | -152.1 | 176.6 | -179.3 | 0 | 0 | 110.1 | ||||
| 239 | E | 32.5 | Very low | 32.9 | Very low | 157 Ų | 157 | 124 Ų | 124 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 75.2 | 123.9 | 159 | -67.2 | -59.9 | 86.9 | 0 | 0 | 124.6 | ||||
| 240 | A | 32.9 | Very low | 33.1 | Very low | 67 Ų | 67 | 128.6 Ų | 128.6 | 55% | 0.554 | 76% | 0.757 | S | S | * | * | trans | 60.4 | 125.3 | 132.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 241 | N | 28.6 | Very low | 33.2 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | 179.5 | 156 | 92.3 | -94.2 | -73.8 | 0 | 0 | 0 | 113 | |||||
| 242 | G | 30 | Very low | 33.2 | Very low | 66 Ų | 66 | 137.7 Ų | 137.7 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | trans | -97.5 | -153.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 243 | P | 45.2 | Very low | 33.4 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | cis | -136.9 | -169.3 | 0.4 | 43.4 | -26.3 | 0 | 0 | 0 | 114.4 | ||||
| 244 | G | 29.2 | Very low | 33.6 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | 143.9 | 105.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 245 | G | 29.1 | Very low | 33.8 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | trans | 79.6 | 138.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 246 | G | 30 | Very low | 33.9 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | cis | 135.1 | 81.9 | -22 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 247 | Y | 37 | Very low | 33.6 | Very low | 217 Ų | 217 | 135.8 Ų | 135.8 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -170.8 | 118.6 | 147.6 | 66.4 | -99.2 | 0 | 0 | 0 | 108.1 | ||||
| 248 | D | 33.3 | Very low | 33.2 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | 84.7 | 141.4 | 83.2 | -87.8 | -19.2 | 0 | 0 | 0 | 115.4 | |||||
| 249 | L | 36.4 | Very low | 33.3 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 56% | 0.555 | 77% | 0.766 | S | S | * | * | cis | -174.1 | 143.8 | -7.8 | -174.2 | 50.7 | 0 | 0 | 0 | 114.1 | ||||
| 250 | R | 36.8 | Very low | 33.9 | Very low | 206 Ų | 206 | 136.7 Ų | 136.7 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | 66.2 | 157.5 | 165.3 | -72.4 | 155 | -161.1 | 169.3 | 4.4 | 115.7 | ||||
| 251 | K | 34 | Very low | 33.9 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | cis | -158.7 | 170.3 | 5.5 | -122.9 | 168.8 | -177.7 | 177.7 | 0 | 106.7 | ||||
| 252 | R | 31.8 | Very low | 34.1 | Very low | 217 Ų | 217 | 141.4 Ų | 141.4 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | cis | -155.1 | 147 | 1.4 | 177.3 | 176.8 | -177.9 | -161.7 | -0.8 | 110.7 | ||||
| 253 | S | 36.2 | Very low | 34.1 | Very low | 83 Ų | 83 | 141.5 Ų | 141.5 | 58% | 0.58 | 78% | 0.781 | S | S | * | * | trans | 1.6 | 133 | 144.9 | -35.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 254 | N | 35.1 | Very low | 33.7 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | 67.3 | 145.5 | 81.4 | -65 | 21.2 | 0 | 0 | 0 | 114.7 | |||||
| 255 | S | 34.2 | Very low | 33.8 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | cis | -178.9 | -171.7 | -3.7 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 256 | V | 29.3 | Very low | 34.1 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | trans | 81.6 | 99.6 | 155.1 | 173.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 257 | F | 31 | Very low | 34.2 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | 54.7 | 145.4 | 111.1 | -118.8 | -90.7 | 0 | 0 | 0 | 123.8 | |||||
| 258 | T | 30.6 | Very low | 34.1 | Very low | 121 Ų | 121 | 151.3 Ų | 151.3 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 88.8 | 130.8 | 154.9 | -4.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 259 | Y | 37.3 | Very low | 34.1 | Very low | 221 Ų | 221 | 150.9 Ų | 150.9 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -76.1 | 167.4 | 158.4 | -93.6 | -103.5 | 0 | 0 | 0 | 111.1 | ||||
| 260 | P | 44.4 | Very low | 34.4 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | -131.6 | -172.1 | 121.9 | 39.1 | -31.4 | 0 | 0 | 0 | 114 | |||||
| 261 | E | 31.9 | Very low | 34.2 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | -98.2 | 156.9 | -161.5 | -102.6 | -178.5 | 86.3 | 0 | 0 | 116.8 | ||||
| 262 | N | 33.4 | Very low | 34.4 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 51 | 128.8 | 132.9 | -155.1 | 10.4 | 0 | 0 | 0 | 121.4 | ||||
| 263 | G | 29.2 | Very low | 34.3 | Very low | 68 Ų | 68 | 143.2 Ų | 143.2 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 177.9 | 84.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 264 | T | 37 | Very low | 34.3 | Very low | 135 Ų | 135 | 147 Ų | 147 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | 3.8 | 129.8 | 155.2 | 56.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 265 | D | 32.7 | Very low | 34.3 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | -156.5 | 171.4 | 118.7 | -144.4 | -48.9 | 0 | 0 | 0 | 110.1 | |||||
| 266 | D | 35.1 | Very low | 34.6 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -107.1 | -146.8 | -171.8 | -165.6 | -94.6 | 0 | 0 | 0 | 112.2 | ||||
| 267 | F | 31.8 | Very low | 34.9 | Very low | 155 Ų | 155 | 151 Ų | 151 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | 84 | 71.5 | 170 | -61.4 | -83 | 0 | 0 | 0 | 119.6 | ||||
| 268 | R | 34.1 | Very low | 35.1 | Very low | 221 Ų | 221 | 145.2 Ų | 145.2 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | 78.4 | 106.5 | 115.2 | -172.6 | 175.7 | -62.7 | -127.3 | -0.7 | 119.9 | |||||
| 269 | D | 34.7 | Very low | 35.4 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -45.9 | 151.7 | 155.7 | -123.5 | -62.9 | 0 | 0 | 0 | 114.4 | A271 | D269-A271 PolarHBondContact OD1-N 2.82Š| ||
| 270 | P | 42.3 | Very low | 35.7 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | -147.5 | 116.1 | 89.2 | 36.2 | -17.8 | 0 | 0 | 0 | 117.4 | |||||
| 271 | A | 33.1 | Very low | 35.7 | Very low | 78 Ų | 78 | 142.1 Ų | 142.1 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | 40.4 | 116.1 | 125 | 0 | 0 | 0 | 0 | 0 | 119.7 | D269 | D269-A271 PolarHBondContact OD1-N 2.82Š| |||
| 272 | K | 36.5 | Very low | 36.1 | Very low | 210 Ų | 210 | 140.4 Ų | 140.4 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | trans | -131.3 | 124.1 | 145.5 | -77.7 | -172.3 | 177.7 | 176.5 | 0 | 110.9 | ||||
| 273 | N | 29.8 | Very low | 36.6 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -69.1 | 134.3 | 177.8 | -71.6 | -65.4 | 0 | 0 | 0 | 111.9 | ||||
| 274 | I | 36.3 | Very low | 37.7 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -126.9 | 108.2 | 142.5 | -64.1 | -176.5 | 0 | 0 | 0 | 107.1 | ||||
| 275 | S | 36.1 | Very low | 38.4 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | trans | -83.7 | 118.7 | -177.9 | -48.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 276 | H | 39 | Very low | 39.4 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 85% | 0.847 | 73% | 0.728 | S | S | * | * | trans | -127.2 | 129.9 | 153.1 | -86.9 | -74.8 | 0 | 0 | 0 | 109.9 | ||||
| 277 | Q | 35.9 | Very low | 40.7 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | trans | -88.1 | 143.8 | -161.7 | -65.7 | 165.3 | -32.9 | 0 | 0 | 112.4 | S279 | Q277-S279 PolarHBondContact O-N 2.82Š| ||
| 278 | G | 35.9 | Very low | 43.4 | Very low | 72 Ų | 72 | 127.4 Ų | 127.4 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | trans | 46.2 | 72.5 | 140.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | L280 | G278-L280 PolarHBondContact O-N 2.82Å; G278-L280 VanDerWaalsContact O-N 3.1Å | ||
| 279 | S | 37.7 | Very low | 46.3 | Very low | 124 Ų | 124 | 118.3 Ų | 118.3 | 87% | 0.867 | 66% | 0.663 | S | S | * | * | trans | -69.2 | 101 | 149.7 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | Q277 | Q277-S279 PolarHBondContact O-N 2.82Š| ||
| 280 | L | 42.1 | Very low | 49.2 | Very low | 155 Ų | 155 | 113.2 Ų | 113.2 | 81% | 0.812 | 64% | 0.635 | S | S | * | * | trans | -55.7 | 139.9 | 173.2 | -71.6 | 171.3 | 0 | 0 | 0 | 109.8 | G278 K282 | G278-L280 PolarHBondContact O-N 2.82Å; G278-L280 VanDerWaalsContact O-N 3.1Å; L280-K282 PolarHBondContact O-N 2.94Å | ||
| 281 | S | 43.8 | Very low | 51.8 | Low | 122 Ų | 122 | 107.4 Ų | 107.4 | 85% | 0.853 | 60% | 0.597 | S | S | * | * | trans | -64.4 | 90 | -179.4 | 53.9 | 0 | 0 | 0 | 0 | 111.2 | D283 | S281-D283 PolarHBondContact O-N 2.85Š| ||
| 282 | K | 42.1 | Very low | 54.9 | Low | 142 Ų | 142 | 103.7 Ų | 103.7 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | trans | -67.5 | 121.4 | 161.6 | -83.5 | -169.9 | 168.8 | -170.8 | 0 | 108.2 | L280 M287 | L280-K282 PolarHBondContact O-N 2.94Å; K282-M287 HydrophobicContact CB-CE 4.13Å | ||
| 283 | D | 44.1 | Very low | 57.7 | Low | 88 Ų | 88 | 94 Ų | 94 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | trans | -56.3 | 120.3 | 173.2 | -171.5 | -29.7 | 0 | 0 | 0 | 109.5 | S281 L285 Q286 | S281-D283 PolarHBondContact O-N 2.85Å; D283-L285 PolarHBondContact O-N 3.1Å; D283-L285 VanDerWaalsContact O-N 3.13Å; D283-L285 VanDerWaalsContact OD1-CB 3.22Å; D283-L285 WeakPolarHBondContact OD1-CB 3.34Å; D283-L285 WeakPolarHBondContact OD1-CG 3.08Å; D283-L285 PolarHBondContact OD1-N 2.94Å; D283-Q286 PolarHBondContact O-N 2.69Å | ||
| 284 | P | 51.9 | Low | 60.9 | Low | 94 Ų | 94 | 92 Ų | 92 | 61% | 0.61 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.7 | -178.8 | 26.2 | -34.9 | 0 | 0 | 0 | 113 | Q286 M287 | P284-Q286 VanDerWaalsContact C-N 3.35Å; P284-Q286 PolarHBondContact O-N 2.89Å; P284-M287 WeakPolarHBondContact O-CG 3.34Å |
| 285 | L | 51.1 | Low | 63.7 | Low | 115 Ų | 115 | 91.6 Ų | 91.6 | 60% | 0.602 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -34.5 | 177.2 | -59.9 | 172.8 | 0 | 0 | 0 | 112.5 | D283 M287 N288 T289 | D283-L285 PolarHBondContact O-N 3.1Å; D283-L285 VanDerWaalsContact O-N 3.13Å; D283-L285 VanDerWaalsContact OD1-CB 3.22Å; D283-L285 WeakPolarHBondContact OD1-CB 3.34Å; D283-L285 WeakPolarHBondContact OD1-CG 3.08Å; D283-L285 PolarHBondContact OD1-N 2.94Å; L285-M287 PolarHBondContact O-N 2.86Å; L285-N288 PolarHBondContact O-N 2.93Å; L285-T289 PolarHBondContact O-OG1 2.89Å |
| 286 | Q | 54.5 | Low | 66.6 | Low | 91 Ų | 91 | 88 Ų | 88 | 43% | 0.425 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -76.1 | -21 | -170.4 | -166.4 | 169.4 | 51.6 | 0 | 0 | 113.8 | D283 P284 N288 T289 Q344 | D283-Q286 PolarHBondContact O-N 2.69Å; P284-Q286 VanDerWaalsContact C-N 3.35Å; P284-Q286 PolarHBondContact O-N 2.89Å; Q286-N288 VanDerWaalsContact C-N 3.29Å; Q286-T289 PolarHBondContact O-OG1 2.9Å; Q286-Q344 VanDerWaalsContact OE1-CD 3.27Å |
| 287 | M | 62.4 | Low | 69.3 | Low | 81 Ų | 81 | 83.8 Ų | 83.8 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -82 | -7.7 | 176.9 | 56.2 | -163.1 | 75.1 | 0 | 0 | 113.7 | K282 P284 L285 R341 | K282-M287 HydrophobicContact CB-CE 4.13Å; P284-M287 WeakPolarHBondContact O-CG 3.34Å; L285-M287 PolarHBondContact O-N 2.86Å; M287-R341 PolarHBondContact O-NE 2.96Å; M287-R341 PolarHBondContact O-NH2 3.38Å |
| 288 | N | 88.8 | Confident | 72.1 | Confident | 58 Ų | 58 | 77.5 Ų | 77.5 | 31% | 0.31 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -106.3 | 13.7 | 179.6 | -80.9 | 40.4 | 0 | 0 | 0 | 113.3 | L285 Q286 Y290 L314 | L285-N288 PolarHBondContact O-N 2.93Å; Q286-N288 VanDerWaalsContact C-N 3.29Å; N288-Y290 WeakPolarHBondContact O-CD2 3.34Å; N288-L314 HydrophobicContact CB-CB 4.24Å; N288-L314 PolarHBondContact ND2-O 2.84Å; N288-L314 VanDerWaalsContact ND2-O 3.11Å; N288-L314 WeakPolarHBondContact O-CB 3.3Å; N288-L314 PolarHBondContact O-N 2.85Å |
| 289 | T | 94.3 | Very high | 74.9 | Confident | 31 Ų | 31 | 82.5 Ų | 82.5 | 19% | 0.19 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 134.5 | -179.2 | -37.3 | 0 | 0 | 0 | 0 | 112.5 | L285 Q286 I311 L342 | L285-T289 PolarHBondContact O-OG1 2.89Å; Q286-T289 PolarHBondContact O-OG1 2.9Å; T289-I311 HydrophobicContact CG2-CG2 3.45Å; T289-I311 VanDerWaalsContact CG2-CG2 3.45Å; T289-L342 HydrophobicContact CG2-CD1 4.11Å; T289-L342 PolarHBondContact O-N 3.42Å |
| 290 | Y | 96 | Very high | 77.5 | Confident | 24 Ų | 24 | 79.8 Ų | 79.8 | 9% | 0.094 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 160.3 | -177.8 | -69.8 | -109.4 | 0 | 0 | 0 | 110.5 | N288 I311 I312 L314 W323 V339 Q340 R341 | N288-Y290 WeakPolarHBondContact O-CD2 3.34Å; Y290-I311 CarbonylContact O-C 3.5Å; Y290-I311 WeakPolarHBondContact O-CA 3.46Å; Y290-I312 PolarHBondContact N-O 2.93Å; Y290-I312 PolarHBondContact O-N 2.62Å; Y290-L314 HydrophobicContact CD2-CB 3.96Å; Y290-L314 HydrophobicContact CD2-CD2 4.32Å; Y290-L314 HydrophobicContact CE2-CB 3.85Å; Y290-L314 HydrophobicContact CE2-CD2 3.48Å; Y290-L314 VanDerWaalsContact CE2-CD2 3.48Å; Y290-L314 HydrophobicContact CE2-CG 4.3Å; Y290-W323 HydrophobicContact CD1-CZ3 4.09Å; Y290-W323 HydrophobicContact CE1-CH2 4.07Å; Y290-W323 AromaticContact CE1-CZ3 3.53Å; Y290-W323 HydrophobicContact CE1-CZ3 3.53Å; Y290-V339 HydrophobicContact CD1-CB 4.22Å; Y290-V339 HydrophobicContact CD1-CG2 3.61Å; Y290-V339 HydrophobicContact CE1-CG2 4.35Å; Y290-V339 HydrophobicContact CG-CG2 4.25Å; Y290-Q340 CarbonylContact C-O 3.49Å; Y290-Q340 VanDerWaalsContact CA-O 3.25Å; Y290-Q340 WeakPolarHBondContact CA-O 3.34Å; Y290-R341 VanDerWaalsContact CD1-CA 3.4Å; Y290-R341 HydrophobicContact CD1-CB 3.89Å; Y290-R341 HydrophobicContact CD1-CG 4.35Å; Y290-R341 HydrophobicContact CE1-CB 3.53Å; Y290-R341 HydrophobicContact CE1-CG 3.86Å; Y290-R341 HydrophobicContact CE2-CG 4.15Å |
| 291 | V | 96.6 | Very high | 79.9 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.8 | 169.8 | 63.5 | 0 | 0 | 0 | 0 | 111.2 | L293 D310 V339 Q340 L342 I348 I371 V373 | V291-L293 PolarHBondContact O-N 3.2Å; V291-D310 CarbonylContact C-O 3.56Å; V291-D310 WeakPolarHBondContact CA-O 3.29Å; V291-V339 CarbonylContact O-C 3.59Å; V291-V339 VanDerWaalsContact O-CA 3.28Å; V291-V339 WeakPolarHBondContact O-CA 3.31Å; V291-Q340 HydrophobicContact CG1-CB 3.92Å; V291-Q340 HydrophobicContact CG1-CG 4.39Å; V291-Q340 PolarHBondContact N-O 3.11Å; V291-Q340 PolarHBondContact O-N 3.28Å; V291-L342 HydrophobicContact CB-CD1 4.18Å; V291-L342 HydrophobicContact CB-CD2 4.3Å; V291-L342 HydrophobicContact CB-CG 4.28Å; V291-L342 HydrophobicContact CG1-CD2 3.91Å; V291-L342 HydrophobicContact CG1-CG 4.22Å; V291-I348 HydrophobicContact CB-CD1 4.23Å; V291-I348 HydrophobicContact CG2-CD1 4.11Å; V291-I348 HydrophobicContact CG2-CG2 3.93Å; V291-I371 HydrophobicContact CG2-CG2 4.16Å; V291-V373 HydrophobicContact CG1-CG1 3.71Å |
| 292 | A | 97.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 123.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M306 R307 P308 G309 D310 I312 | A292-M306 HydrophobicContact CB-CB 4.09Å; A292-M306 HydrophobicContact CB-SD 4.36Å; A292-R307 VanDerWaalsContact CB-O 3.24Å; A292-R307 WeakPolarHBondContact CB-O 3.41Å; A292-P308 WeakPolarHBondContact O-CA 3.44Å; A292-G309 PolarHBondContact O-N 3.28Å; A292-D310 HydrophobicContact CB-CB 4.34Å; A292-D310 PolarHBondContact N-O 2.84Å; A292-I312 HydrophobicContact CB-CD1 4.05Å; A292-I312 VanDerWaalsContact N-CD1 3.35Å |
| 293 | L | 96.6 | Very high | 84.9 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -85 | -24.3 | 174.9 | -64.1 | 178.3 | 0 | 0 | 0 | 113 | V291 F338 Q340 I371 | V291-L293 PolarHBondContact O-N 3.2Å; L293-F338 WeakPolarHBondContact CB-O 3.42Å; L293-F338 PolarHBondContact N-O 2.98Å; L293-Q340 HydrophobicContact CD1-CB 4.03Å; L293-Q340 HydrophobicContact CD2-CB 3.75Å; L293-Q340 HydrophobicContact CG-CB 3.84Å; L293-I371 HydrophobicContact CD2-CB 4.13Å; L293-I371 HydrophobicContact CD2-CG2 4.28Å |
| 294 | Y | 95.6 | Very high | 87.3 | Confident | 106 Ų | 106 | 69.2 Ų | 69.2 | 42% | 0.416 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -139 | 155.4 | -175.1 | -51.3 | -74.6 | 0 | 0 | 0 | 110.5 | F338 | Y294-F338 HydrophobicContact CD2-CB 4.42Å; Y294-F338 HydrophobicContact CD2-CD1 4.27Å; Y294-F338 HydrophobicContact CD2-CG 4.19Å |
| 295 | K | 96.4 | Very high | 89.5 | Confident | 152 Ų | 152 | 67 Ų | 67 | 66% | 0.661 | 33% | 0.332 | S | S | * | . | trans | -68.4 | 138.4 | 170.8 | 69.5 | 178.7 | -173.9 | 173.2 | 0 | 110.8 | M306 P308 F338 | K295-M306 CarbonylContact C-O 3.49Å; K295-M306 VanDerWaalsContact CA-O 3.27Å; K295-M306 WeakPolarHBondContact CA-O 3.27Å; K295-P308 HydrophobicContact CB-CG 4.45Å; K295-F338 WeakPolarHBondContact O-CE2 3.44Å | ||
| 296 | F | 96.6 | Very high | 91.7 | Very high | 17 Ų | 17 | 61.6 Ų | 61.6 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -125 | 125.9 | 167.1 | 179.1 | -127 | 0 | 0 | 0 | 108.6 | D303 L304 M306 W322 F334 P335 F338 | F296-D303 HydrophobicContact CE1-CB 3.89Å; F296-D303 HydrophobicContact CZ-CB 4.1Å; F296-L304 VanDerWaalsContact CD1-O 3.22Å; F296-L304 WeakPolarHBondContact CD1-O 3.41Å; F296-M306 HydrophobicContact CB-CB 4.15Å; F296-M306 HydrophobicContact CB-CE 3.77Å; F296-M306 HydrophobicContact CB-CG 4.34Å; F296-M306 HydrophobicContact CD1-CE 4.49Å; F296-M306 HydrophobicContact CG-CE 4.47Å; F296-M306 PolarHBondContact N-O 2.99Å; F296-M306 PolarHBondContact O-N 3.44Å; F296-W322 HydrophobicContact CE1-CZ3 4.03Å; F296-W322 HydrophobicContact CE2-CH2 4.18Å; F296-W322 HydrophobicContact CE2-CZ3 4.41Å; F296-W322 AromaticContact CZ-CH2 3.73Å; F296-W322 HydrophobicContact CZ-CH2 3.73Å; F296-W322 AromaticContact CZ-CZ3 3.65Å; F296-W322 HydrophobicContact CZ-CZ3 3.65Å; F296-F334 HydrophobicContact CD1-CB 4.17Å; F296-F334 HydrophobicContact CE1-CB 4.46Å; F296-P335 HydrophobicContact CD2-CG 4.15Å; F296-P335 HydrophobicContact CE2-CG 4.22Å; F296-P335 HydrophobicContact CG-CG 4.41Å; F296-F338 HydrophobicContact CB-CD2 4.04Å; F296-F338 HydrophobicContact CB-CE2 4.32Å |
| 297 | V | 96.2 | Very high | 93.7 | Very high | 94 Ų | 94 | 64.2 Ų | 64.2 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | trans | -105.6 | 125.3 | 179 | -179 | 0 | 0 | 0 | 0 | 107 | ||||
| 298 | P | 95 | Very high | 95.3 | Very high | 54 Ų | 54 | 63 Ų | 63 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | trans | -50.8 | 142.6 | 177.7 | -32.7 | 39.5 | 0 | 0 | 0 | 113.5 | D303 E305 | P298-D303 HydrophobicContact CB-CB 3.79Å; P298-D303 HydrophobicContact CG-CB 4.3Å; P298-E305 HydrophobicContact CG-CB 3.82Å | ||
| 299 | Q | 93.8 | Very high | 95.6 | Very high | 177 Ų | 177 | 60.9 Ų | 60.9 | 83% | 0.827 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -118.9 | -31.9 | 169.4 | -61.8 | -174.3 | 16.8 | 0 | 0 | 111.3 | D303 | Q299-D303 PolarHBondContact N-OD2 3.46Š|
| 300 | E | 93.1 | Very high | 95.7 | Very high | 68 Ų | 68 | 61.4 Ų | 61.4 | 32% | 0.318 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -113.6 | 154.2 | 174.2 | -60.6 | -178.2 | 147.1 | 0 | 0 | 109.8 | R43 E302 D303 | R43-E300 IonicContact CZ-OE2 3.86Å; R43-E300 IonicContact NE-OE2 3.51Å; R43-E300 IonicContact NH1-OE2 3.2Å; R43-E300 PolarHBondContact NH1-OE2 3.03Å; E300-E302 HydrophobicContact CB-CG 4.33Å; E300-E302 PolarHBondContact O-N 3.25Å; E300-D303 PolarHBondContact N-OD2 2.99Å; E300-D303 WeakPolarHBondContact O-CB 3.24Å; E300-D303 PolarHBondContact O-N 3.17Å |
| 301 | N | 92.4 | Very high | 95.7 | Very high | 186 Ų | 186 | 64.6 Ų | 64.6 | 100% | 0.995 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.9 | -175.8 | -66.8 | -27.6 | 0 | 0 | 0 | 114 | ||
| 302 | E | 93.6 | Very high | 95.7 | Very high | 79 Ų | 79 | 64.6 Ų | 64.6 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 1 | 176.1 | 61.6 | 176.7 | 179.6 | 0 | 0 | 113.5 | R43 E300 G332 F333 | R43-E302 IonicContact NH1-OE1 2.64Å; R43-E302 PolarHBondContact NH1-OE1 3.47Å; E300-E302 HydrophobicContact CB-CG 4.33Å; E300-E302 PolarHBondContact O-N 3.25Å; E302-G332 CarbonylContact O-C 3.57Å; E302-G332 WeakPolarHBondContact O-CA 3.35Å; E302-F333 HydrophobicContact CB-CD2 4.05Å; E302-F333 HydrophobicContact CB-CE2 4.39Å; E302-F333 HydrophobicContact CG-CD2 3.95Å; E302-F333 HydrophobicContact CG-CE2 4.42Å; E302-F333 PolarHBondContact O-N 2.89Å; E302-F333 WeakPolarHBondContact OE2-CE2 3.34Å |
| 303 | D | 95.6 | Very high | 95.6 | Very high | 16 Ų | 16 | 67.3 Ų | 67.3 | 9% | 0.086 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 137.8 | 177.4 | -71.9 | -24.1 | 0 | 0 | 0 | 112.5 | R43 F296 P298 Q299 E300 F333 | R43-D303 IonicContact CZ-OD1 3.26Å; R43-D303 IonicContact NH1-OD1 2.69Å; R43-D303 PolarHBondContact NH1-OD1 3.32Å; R43-D303 IonicContact NH2-OD1 3.52Å; R43-D303 PolarHBondContact NH2-OD1 2.71Å; F296-D303 HydrophobicContact CE1-CB 3.89Å; F296-D303 HydrophobicContact CZ-CB 4.1Å; P298-D303 HydrophobicContact CB-CB 3.79Å; P298-D303 HydrophobicContact CG-CB 4.3Å; Q299-D303 PolarHBondContact N-OD2 3.46Å; E300-D303 PolarHBondContact N-OD2 2.99Å; E300-D303 WeakPolarHBondContact O-CB 3.24Å; E300-D303 PolarHBondContact O-N 3.17Å; D303-F333 WeakPolarHBondContact CA-O 3.27Å |
| 304 | L | 96.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | trans | -88.6 | 115.4 | 177.9 | -175 | 61.8 | 0 | 0 | 0 | 110.9 | F296 M306 I312 I327 R330 F333 F334 | F296-L304 VanDerWaalsContact CD1-O 3.22Å; F296-L304 WeakPolarHBondContact CD1-O 3.41Å; L304-M306 PolarHBondContact O-N 2.9Å; L304-I312 HydrophobicContact CD2-CG2 4.32Å; L304-I327 HydrophobicContact CD1-CB 4.34Å; L304-I327 HydrophobicContact CD1-CD1 4.39Å; L304-I327 HydrophobicContact CD2-CD1 3.81Å; L304-I327 HydrophobicContact CD2-CG1 3.93Å; L304-I327 HydrophobicContact CG-CD1 3.92Å; L304-I327 HydrophobicContact CG-CG1 4.38Å; L304-R330 HydrophobicContact CD1-CB 3.76Å; L304-R330 WeakPolarHBondContact CD1-O 3.32Å; L304-F333 PolarHBondContact N-O 2.74Å; L304-F334 HydrophobicContact CD2-CD1 4.01Å | ||
| 305 | E | 96.7 | Very high | 95.5 | Very high | 48 Ų | 48 | 66.3 Ų | 66.3 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | trans | -62.6 | 126.7 | 171.8 | -170.7 | -152 | 173.9 | 0 | 0 | 110.2 | P298 R307 R330 | P298-E305 HydrophobicContact CG-CB 3.82Å; E305-R307 IonicContact OE1-CZ 3.41Å; E305-R307 IonicContact OE1-NE 2.65Å; E305-R307 PolarHBondContact OE1-NE 2.96Å; E305-R307 IonicContact OE1-NH2 3.61Å; E305-R307 PolarHBondContact OE1-NH2 2.85Å; E305-R307 IonicContact OE2-NH2 3.69Å; E305-R330 PolarHBondContact O-NH2 3.46Å; E305-R330 IonicContact OE2-CZ 3.77Å; E305-R330 IonicContact OE2-NH1 3.91Å; E305-R330 PolarHBondContact OE2-NH1 2.87Å; E305-R330 IonicContact OE2-NH2 3.63Å; E305-R330 PolarHBondContact OE2-NH2 2.82Å | ||
| 306 | M | 97.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -125.1 | 144 | 175.9 | -50.1 | -166.7 | -62.2 | 0 | 0 | 111.4 | A292 K295 F296 L304 I312 I327 F334 F338 V339 | A292-M306 HydrophobicContact CB-CB 4.09Å; A292-M306 HydrophobicContact CB-SD 4.36Å; K295-M306 CarbonylContact C-O 3.49Å; K295-M306 VanDerWaalsContact CA-O 3.27Å; K295-M306 WeakPolarHBondContact CA-O 3.27Å; F296-M306 HydrophobicContact CB-CB 4.15Å; F296-M306 HydrophobicContact CB-CE 3.77Å; F296-M306 HydrophobicContact CB-CG 4.34Å; F296-M306 HydrophobicContact CD1-CE 4.49Å; F296-M306 HydrophobicContact CG-CE 4.47Å; F296-M306 PolarHBondContact N-O 2.99Å; F296-M306 PolarHBondContact O-N 3.44Å; L304-M306 PolarHBondContact O-N 2.9Å; M306-I312 HydrophobicContact SD-CD1 4.39Å; M306-I312 HydrophobicContact SD-CG1 4.24Å; M306-I327 HydrophobicContact CB-CD1 4.37Å; M306-I327 HydrophobicContact CG-CD1 3.84Å; M306-F334 HydrophobicContact CE-CB 3.77Å; M306-F334 HydrophobicContact CE-CD2 3.98Å; M306-F334 HydrophobicContact CE-CG 4.18Å; M306-F334 HydrophobicContact CG-CB 4.36Å; M306-F334 HydrophobicContact SD-CB 3.62Å; M306-F334 HydrophobicContact SD-CD1 4.45Å; M306-F334 HydrophobicContact SD-CD2 3.76Å; M306-F334 HydrophobicContact SD-CG 3.68Å; M306-F338 HydrophobicContact CE-CB 3.76Å; M306-F338 HydrophobicContact CE-CD2 4.38Å; M306-V339 HydrophobicContact CE-CG1 4.19Å; M306-V339 HydrophobicContact SD-CG1 4.02Å |
| 307 | R | 96.7 | Very high | 95 | Very high | 145 Ų | 145 | 67 Ų | 67 | 55% | 0.547 | 35% | 0.346 | S | S | . | . | trans | -120.8 | 150.3 | 173.5 | -57.2 | -178.3 | 176 | -159.4 | -0.6 | 109.4 | A292 E305 G309 D310 | A292-R307 VanDerWaalsContact CB-O 3.24Å; A292-R307 WeakPolarHBondContact CB-O 3.41Å; E305-R307 IonicContact OE1-CZ 3.41Å; E305-R307 IonicContact OE1-NE 2.65Å; E305-R307 PolarHBondContact OE1-NE 2.96Å; E305-R307 IonicContact OE1-NH2 3.61Å; E305-R307 PolarHBondContact OE1-NH2 2.85Å; E305-R307 IonicContact OE2-NH2 3.69Å; R307-G309 PolarHBondContact O-N 3.3Å; R307-G309 VanDerWaalsContact O-N 3.1Å; R307-D310 PolarHBondContact N-OD2 2.85Å; R307-D310 WeakPolarHBondContact O-CB 3.37Å; R307-D310 PolarHBondContact O-N 3.04Å | ||
| 308 | P | 96.4 | Very high | 94.4 | Very high | 55 Ų | 55 | 68.1 Ų | 68.1 | 36% | 0.357 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 118.4 | -179.6 | -14.7 | 28.1 | 0 | 0 | 0 | 109.7 | A292 K295 I371 | A292-P308 WeakPolarHBondContact O-CA 3.44Å; K295-P308 HydrophobicContact CB-CG 4.45Å; P308-I371 HydrophobicContact CB-CD1 4Å; P308-I371 HydrophobicContact CB-CG1 3.54Å |
| 309 | G | 95.7 | Very high | 94.1 | Very high | 15 Ų | 15 | 68.6 Ų | 68.6 | 16% | 0.155 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 109.4 | -16.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A292 R307 I311 | A292-G309 PolarHBondContact O-N 3.28Å; R307-G309 PolarHBondContact O-N 3.3Å; R307-G309 VanDerWaalsContact O-N 3.1Å; G309-I311 PolarHBondContact O-N 2.89Å |
| 310 | D | 96.6 | Very high | 93.8 | Very high | 41 Ų | 41 | 68.7 Ų | 68.7 | 22% | 0.219 | 36% | 0.358 | C | S | . | . | trans | -61.2 | 135.4 | 177.2 | -69.9 | -7.6 | 0 | 0 | 0 | 110.9 | V291 A292 R307 I312 I327 | V291-D310 CarbonylContact C-O 3.56Å; V291-D310 WeakPolarHBondContact CA-O 3.29Å; A292-D310 HydrophobicContact CB-CB 4.34Å; A292-D310 PolarHBondContact N-O 2.84Å; R307-D310 PolarHBondContact N-OD2 2.85Å; R307-D310 WeakPolarHBondContact O-CB 3.37Å; R307-D310 PolarHBondContact O-N 3.04Å; D310-I312 VanDerWaalsContact O-CD1 3.32Å; D310-I312 WeakPolarHBondContact O-CD1 3.48Å; D310-I327 HydrophobicContact CB-CD1 4.12Å | ||
| 311 | I | 95.4 | Very high | 93.8 | Very high | 91 Ų | 91 | 69.5 Ų | 69.5 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.8 | 175.4 | -58.3 | 177.9 | 0 | 0 | 0 | 109.2 | T289 Y290 G309 I348 | T289-I311 HydrophobicContact CG2-CG2 3.45Å; T289-I311 VanDerWaalsContact CG2-CG2 3.45Å; Y290-I311 CarbonylContact O-C 3.5Å; Y290-I311 WeakPolarHBondContact O-CA 3.46Å; G309-I311 PolarHBondContact O-N 2.89Å; I311-I348 HydrophobicContact CD1-CD1 3.93Å; I311-I348 HydrophobicContact CG1-CD1 3.93Å |
| 312 | I | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.5 | -177.9 | -43.7 | 92.3 | 0 | 0 | 0 | 109.7 | Y290 A292 L304 M306 D310 I327 F334 V339 | Y290-I312 PolarHBondContact N-O 2.93Å; Y290-I312 PolarHBondContact O-N 2.62Å; A292-I312 HydrophobicContact CB-CD1 4.05Å; A292-I312 VanDerWaalsContact N-CD1 3.35Å; L304-I312 HydrophobicContact CD2-CG2 4.32Å; M306-I312 HydrophobicContact SD-CD1 4.39Å; M306-I312 HydrophobicContact SD-CG1 4.24Å; D310-I312 VanDerWaalsContact O-CD1 3.32Å; D310-I312 WeakPolarHBondContact O-CD1 3.48Å; I312-I327 HydrophobicContact CB-CG1 4.17Å; I312-I327 HydrophobicContact CG1-CD1 3.72Å; I312-I327 HydrophobicContact CG1-CG1 3.7Å; I312-I327 HydrophobicContact CG2-CG1 4.14Å; I312-F334 HydrophobicContact CG2-CE1 3.87Å; I312-F334 HydrophobicContact CG2-CZ 4.12Å; I312-V339 HydrophobicContact CD1-CG1 3.72Å |
| 313 | T | 95.8 | Very high | 94 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 117.9 | 163.6 | -56.4 | 0 | 0 | 0 | 0 | 109 | G325 K326 | T313-G325 CarbonylContact O-C 3.58Å; T313-G325 WeakPolarHBondContact O-CA 3.47Å; T313-K326 PolarHBondContact N-O 2.92Å; T313-K326 PolarHBondContact O-N 2.91Å |
| 314 | L | 95.5 | Very high | 94 | Very high | 8 Ų | 8 | 62.6 Ų | 62.6 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 123.3 | 178.8 | -179.5 | 63.5 | 0 | 0 | 0 | 110.8 | N288 Y290 D317 W323 F334 | N288-L314 HydrophobicContact CB-CB 4.24Å; N288-L314 PolarHBondContact ND2-O 2.84Å; N288-L314 VanDerWaalsContact ND2-O 3.11Å; N288-L314 WeakPolarHBondContact O-CB 3.3Å; N288-L314 PolarHBondContact O-N 2.85Å; Y290-L314 HydrophobicContact CD2-CB 3.96Å; Y290-L314 HydrophobicContact CD2-CD2 4.32Å; Y290-L314 HydrophobicContact CE2-CB 3.85Å; Y290-L314 HydrophobicContact CE2-CD2 3.48Å; Y290-L314 VanDerWaalsContact CE2-CD2 3.48Å; Y290-L314 HydrophobicContact CE2-CG 4.3Å; L314-D317 HydrophobicContact CD1-CB 4.25Å; L314-D317 HydrophobicContact CD2-CB 4.1Å; L314-D317 HydrophobicContact CG-CB 4.43Å; L314-W323 HydrophobicContact CD1-CB 3.73Å; L314-W323 HydrophobicContact CD1-CD2 4Å; L314-W323 HydrophobicContact CD1-CE3 3.96Å; L314-W323 HydrophobicContact CD1-CG 3.95Å; L314-W323 HydrophobicContact CD2-CE3 4.46Å; L314-F334 HydrophobicContact CD1-CZ 4.32Å |
| 315 | L | 93.8 | Very high | 94 | Very high | 84 Ų | 84 | 62.4 Ų | 62.4 | 44% | 0.44 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -47.2 | -178.3 | -62.5 | 178.6 | 0 | 0 | 0 | 112.6 | K324 K326 I331 | L315-K324 PolarHBondContact N-O 3.5Å; L315-K326 HydrophobicContact CD1-CB 4.18Å; L315-I331 HydrophobicContact CD1-CD1 4.31Å; L315-I331 HydrophobicContact CD1-CG1 4.4Å; L315-I331 HydrophobicContact CD1-CG2 3.88Å |
| 316 | E | 92.5 | Very high | 94 | Very high | 85 Ų | 85 | 63.6 Ų | 63.6 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 125.3 | -180 | -60 | 162.5 | -149.3 | 0 | 0 | 109.5 | K324 | E316-K324 HydrophobicContact CB-CB 3.91Å; E316-K324 HydrophobicContact CB-CD 4.34Å; E316-K324 HydrophobicContact CG-CB 4.5Å; E316-K324 HydrophobicContact CG-CD 4.1Å; E316-K324 PolarHBondContact N-O 2.96Å; E316-K324 VanDerWaalsContact N-O 3.13Å; E316-K324 PolarHBondContact O-N 3.2Å; E316-K324 VanDerWaalsContact OE1-CD 3.25Å; E316-K324 WeakPolarHBondContact OE1-CD 3.41Å; E316-K324 WeakPolarHBondContact OE1-CE 3.5Å; E316-K324 IonicContact OE1-NZ 3.13Å; E316-K324 PolarHBondContact OE1-NZ 3.17Å; E316-K324 WeakPolarHBondContact OE2-CD 3.16Å; E316-K324 IonicContact OE2-NZ 2.85Å |
| 317 | D | 91.1 | Very high | 93.9 | Very high | 99 Ų | 99 | 63.9 Ų | 63.9 | 53% | 0.529 | 33% | 0.327 | S | S | . | . | trans | -116.8 | 15.1 | -178.1 | 67.2 | -21.2 | 0 | 0 | 0 | 113.4 | L314 N319 W323 | L314-D317 HydrophobicContact CD1-CB 4.25Å; L314-D317 HydrophobicContact CD2-CB 4.1Å; L314-D317 HydrophobicContact CG-CB 4.43Å; D317-N319 PolarHBondContact O-N 2.84Å; D317-W323 HydrophobicContact CB-CD2 4.47Å; D317-W323 HydrophobicContact CB-CG 4.33Å | ||
| 318 | S | 84.1 | Confident | 93.6 | Very high | 117 Ų | 117 | 64.9 Ų | 64.9 | 82% | 0.818 | 34% | 0.337 | S | S | * | . | trans | -66.2 | 13.9 | -171 | -40.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 319 | N | 86.8 | Confident | 93.4 | Very high | 65 Ų | 65 | 68.8 Ų | 68.8 | 35% | 0.348 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -149.8 | 135 | 177 | 176.3 | 16.7 | 0 | 0 | 0 | 108.9 | D317 D321 W323 | D317-N319 PolarHBondContact O-N 2.84Å; N319-D321 PolarHBondContact O-N 3.02Å; N319-D321 PolarHBondContact OD1-N 3.29Å; N319-W323 PolarHBondContact O-NE1 3.36Å; N319-W323 VanDerWaalsContact O-NE1 3.09Å |
| 320 | E | 89.1 | Confident | 93.3 | Very high | 178 Ų | 178 | 72.9 Ų | 72.9 | 83% | 0.832 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -69.2 | -30.4 | -175.5 | -62.6 | -176.4 | -173.5 | 0 | 0 | 113.8 | A336 | E320-A336 VanDerWaalsContact O-CB 3.29Å; E320-A336 WeakPolarHBondContact O-CB 3.48Å |
| 321 | D | 92.4 | Very high | 93.3 | Very high | 85 Ų | 85 | 75.5 Ų | 75.5 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -86.3 | -36.2 | -177.1 | -79.7 | -40.3 | 0 | 0 | 0 | 113.1 | N319 P335 A336 | N319-D321 PolarHBondContact O-N 3.02Å; N319-D321 PolarHBondContact OD1-N 3.29Å; D321-P335 WeakPolarHBondContact O-CA 3.31Å; D321-A336 PolarHBondContact O-N 2.97Å |
| 322 | W | 94.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 71.3 Ų | 71.3 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 118.4 | -167.8 | -71 | 92.5 | 0 | 0 | 0 | 111.5 | R43 F296 F333 F334 P335 | R43-W322 PolarHBondContact O-NE1 3.02Å; F296-W322 HydrophobicContact CE1-CZ3 4.03Å; F296-W322 HydrophobicContact CE2-CH2 4.18Å; F296-W322 HydrophobicContact CE2-CZ3 4.41Å; F296-W322 AromaticContact CZ-CH2 3.73Å; F296-W322 HydrophobicContact CZ-CH2 3.73Å; F296-W322 AromaticContact CZ-CZ3 3.65Å; F296-W322 HydrophobicContact CZ-CZ3 3.65Å; W322-F333 HydrophobicContact CE3-CB 4.31Å; W322-F334 WeakPolarHBondContact CA-O 3.21Å; W322-F334 VanDerWaalsContact CE3-C 3.46Å; W322-P335 HydrophobicContact CE3-CG 4.39Å; W322-P335 HydrophobicContact CH2-CG 4.16Å; W322-P335 HydrophobicContact CZ3-CG 3.98Å |
| 323 | W | 96.4 | Very high | 93.3 | Very high | 48 Ų | 48 | 73.7 Ų | 73.7 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 157.4 | 177.4 | -68.7 | -14 | 0 | 0 | 0 | 111.1 | Y290 L314 D317 N319 F333 F334 A336 V339 | Y290-W323 HydrophobicContact CD1-CZ3 4.09Å; Y290-W323 HydrophobicContact CE1-CH2 4.07Å; Y290-W323 AromaticContact CE1-CZ3 3.53Å; Y290-W323 HydrophobicContact CE1-CZ3 3.53Å; L314-W323 HydrophobicContact CD1-CB 3.73Å; L314-W323 HydrophobicContact CD1-CD2 4Å; L314-W323 HydrophobicContact CD1-CE3 3.96Å; L314-W323 HydrophobicContact CD1-CG 3.95Å; L314-W323 HydrophobicContact CD2-CE3 4.46Å; D317-W323 HydrophobicContact CB-CD2 4.47Å; D317-W323 HydrophobicContact CB-CG 4.33Å; N319-W323 PolarHBondContact O-NE1 3.36Å; N319-W323 VanDerWaalsContact O-NE1 3.09Å; W323-F333 CarbonylContact O-C 3.45Å; W323-F333 VanDerWaalsContact O-CA 3.24Å; W323-F333 WeakPolarHBondContact O-CA 3.24Å; W323-F334 HydrophobicContact CB-CE1 4.02Å; W323-F334 HydrophobicContact CB-CE2 4.01Å; W323-F334 HydrophobicContact CB-CZ 3.66Å; W323-F334 HydrophobicContact CE3-CE2 4.07Å; W323-F334 HydrophobicContact CE3-CZ 4.18Å; W323-F334 PolarHBondContact N-O 2.68Å; W323-F334 WeakPolarHBondContact O-CD1 3.31Å; W323-F334 PolarHBondContact O-N 2.71Å; W323-A336 HydrophobicContact CD2-CB 3.46Å; W323-A336 VanDerWaalsContact CD2-CB 3.46Å; W323-A336 VanDerWaalsContact CE2-CB 3.45Å; W323-A336 HydrophobicContact CE3-CB 3.84Å; W323-A336 HydrophobicContact CG-CB 3.86Å; W323-A336 HydrophobicContact CH2-CB 4.18Å; W323-A336 HydrophobicContact CZ2-CB 3.84Å; W323-A336 HydrophobicContact CZ3-CB 4.17Å; W323-V339 HydrophobicContact CE3-CG2 4.07Å; W323-V339 HydrophobicContact CZ3-CG2 3.81Å |
| 324 | K | 95.4 | Very high | 93.4 | Very high | 53 Ų | 53 | 71 Ų | 71 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.5 | 174.1 | -162.8 | -172.6 | -177.6 | 178.3 | 0 | 109.5 | L315 E316 I331 G332 F333 | L315-K324 PolarHBondContact N-O 3.5Å; E316-K324 HydrophobicContact CB-CB 3.91Å; E316-K324 HydrophobicContact CB-CD 4.34Å; E316-K324 HydrophobicContact CG-CB 4.5Å; E316-K324 HydrophobicContact CG-CD 4.1Å; E316-K324 PolarHBondContact N-O 2.96Å; E316-K324 VanDerWaalsContact N-O 3.13Å; E316-K324 PolarHBondContact O-N 3.2Å; E316-K324 VanDerWaalsContact OE1-CD 3.25Å; E316-K324 WeakPolarHBondContact OE1-CD 3.41Å; E316-K324 WeakPolarHBondContact OE1-CE 3.5Å; E316-K324 IonicContact OE1-NZ 3.13Å; E316-K324 PolarHBondContact OE1-NZ 3.17Å; E316-K324 WeakPolarHBondContact OE2-CD 3.16Å; E316-K324 IonicContact OE2-NZ 2.85Å; K324-I331 HydrophobicContact CG-CG2 4.47Å; K324-G332 WeakPolarHBondContact CA-O 3.22Å; K324-F333 HydrophobicContact CB-CD1 3.82Å; K324-F333 HydrophobicContact CB-CE1 3.72Å; K324-F333 HydrophobicContact CD-CE1 4.09Å; K324-F333 HydrophobicContact CD-CZ 4.15Å; K324-F333 HydrophobicContact CG-CD1 4.14Å; K324-F333 HydrophobicContact CG-CE1 3.93Å; K324-F333 HydrophobicContact CG-CZ 4.3Å |
| 325 | G | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T313 I331 G332 | T313-G325 CarbonylContact O-C 3.58Å; T313-G325 WeakPolarHBondContact O-CA 3.47Å; G325-I331 WeakPolarHBondContact O-CA 3.32Å; G325-G332 PolarHBondContact N-O 3.43Å; G325-G332 PolarHBondContact O-N 2.85Å; G325-G332 VanDerWaalsContact O-N 3.16Å |
| 326 | K | 95.9 | Very high | 93.5 | Very high | 73 Ų | 73 | 67.7 Ų | 67.7 | 32% | 0.317 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.6 | 178.3 | -176.3 | 165.7 | 174.9 | 165.3 | 0 | 110 | T313 L315 Q328 D329 R330 I331 | T313-K326 PolarHBondContact N-O 2.92Å; T313-K326 PolarHBondContact O-N 2.91Å; L315-K326 HydrophobicContact CD1-CB 4.18Å; K326-Q328 WeakPolarHBondContact CE-O 3.41Å; K326-Q328 VanDerWaalsContact CG-O 3.22Å; K326-Q328 WeakPolarHBondContact CG-O 3.5Å; K326-D329 IonicContact NZ-OD1 2.71Å; K326-D329 PolarHBondContact NZ-OD1 2.84Å; K326-R330 CarbonylContact C-O 3.58Å; K326-R330 VanDerWaalsContact CA-O 3.29Å; K326-R330 WeakPolarHBondContact CA-O 3.36Å; K326-I331 HydrophobicContact CB-CG1 4.04Å; K326-I331 HydrophobicContact CD-CD1 4.2Å; K326-I331 HydrophobicContact CD-CG1 4.06Å; K326-I331 HydrophobicContact CG-CG1 3.93Å |
| 327 | I | 96 | Very high | 93.6 | Very high | 8 Ų | 8 | 69.2 Ų | 69.2 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.1 | 167.9 | -67.3 | 168.4 | 0 | 0 | 0 | 107 | L304 M306 D310 I312 D329 R330 | L304-I327 HydrophobicContact CD1-CB 4.34Å; L304-I327 HydrophobicContact CD1-CD1 4.39Å; L304-I327 HydrophobicContact CD2-CD1 3.81Å; L304-I327 HydrophobicContact CD2-CG1 3.93Å; L304-I327 HydrophobicContact CG-CD1 3.92Å; L304-I327 HydrophobicContact CG-CG1 4.38Å; M306-I327 HydrophobicContact CB-CD1 4.37Å; M306-I327 HydrophobicContact CG-CD1 3.84Å; D310-I327 HydrophobicContact CB-CD1 4.12Å; I312-I327 HydrophobicContact CB-CG1 4.17Å; I312-I327 HydrophobicContact CG1-CD1 3.72Å; I312-I327 HydrophobicContact CG1-CG1 3.7Å; I312-I327 HydrophobicContact CG2-CG1 4.14Å; I327-D329 PolarHBondContact O-N 2.96Å; I327-R330 PolarHBondContact N-O 3.09Å; I327-R330 PolarHBondContact O-N 3.03Å |
| 328 | Q | 90.6 | Very high | 93.8 | Very high | 166 Ų | 166 | 67.3 Ų | 67.3 | 78% | 0.776 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | -120.6 | -169.1 | -62.5 | 172.4 | -19.7 | 0 | 0 | 108.7 | K326 | K326-Q328 WeakPolarHBondContact CE-O 3.41Å; K326-Q328 VanDerWaalsContact CG-O 3.22Å; K326-Q328 WeakPolarHBondContact CG-O 3.5Å |
| 329 | D | 91.4 | Very high | 94.4 | Very high | 136 Ų | 136 | 62.4 Ų | 62.4 | 73% | 0.727 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 0.5 | 175 | -71.1 | -54.7 | 0 | 0 | 0 | 115.8 | K326 I327 | K326-D329 IonicContact NZ-OD1 2.71Å; K326-D329 PolarHBondContact NZ-OD1 2.84Å; I327-D329 PolarHBondContact O-N 2.96Å |
| 330 | R | 94.8 | Very high | 94.8 | Very high | 101 Ų | 101 | 60.6 Ų | 60.6 | 38% | 0.381 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.1 | 179.2 | -55 | -171.1 | -62 | 179.8 | 4 | 110.3 | L304 E305 K326 I327 | L304-R330 HydrophobicContact CD1-CB 3.76Å; L304-R330 WeakPolarHBondContact CD1-O 3.32Å; E305-R330 PolarHBondContact O-NH2 3.46Å; E305-R330 IonicContact OE2-CZ 3.77Å; E305-R330 IonicContact OE2-NH1 3.91Å; E305-R330 PolarHBondContact OE2-NH1 2.87Å; E305-R330 IonicContact OE2-NH2 3.63Å; E305-R330 PolarHBondContact OE2-NH2 2.82Å; K326-R330 CarbonylContact C-O 3.58Å; K326-R330 VanDerWaalsContact CA-O 3.29Å; K326-R330 WeakPolarHBondContact CA-O 3.36Å; I327-R330 PolarHBondContact N-O 3.09Å; I327-R330 PolarHBondContact O-N 3.03Å |
| 331 | I | 96.1 | Very high | 95 | Very high | 96 Ų | 96 | 57.2 Ų | 57.2 | 49% | 0.492 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.4 | 176.5 | -60.8 | 176.2 | 0 | 0 | 0 | 108.7 | L315 K324 G325 K326 | L315-I331 HydrophobicContact CD1-CD1 4.31Å; L315-I331 HydrophobicContact CD1-CG1 4.4Å; L315-I331 HydrophobicContact CD1-CG2 3.88Å; K324-I331 HydrophobicContact CG-CG2 4.47Å; G325-I331 WeakPolarHBondContact O-CA 3.32Å; K326-I331 HydrophobicContact CB-CG1 4.04Å; K326-I331 HydrophobicContact CD-CD1 4.2Å; K326-I331 HydrophobicContact CD-CG1 4.06Å; K326-I331 HydrophobicContact CG-CG1 3.93Å |
| 332 | G | 95.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 54 Ų | 54 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | -175.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | E302 K324 G325 | E302-G332 CarbonylContact O-C 3.57Å; E302-G332 WeakPolarHBondContact O-CA 3.35Å; K324-G332 WeakPolarHBondContact CA-O 3.22Å; G325-G332 PolarHBondContact N-O 3.43Å; G325-G332 PolarHBondContact O-N 2.85Å; G325-G332 VanDerWaalsContact O-N 3.16Å |
| 333 | F | 96.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 22% | 0.219 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 145.1 | 179.6 | -65 | -75.8 | 0 | 0 | 0 | 112.7 | E302 D303 L304 W322 W323 K324 | E302-F333 HydrophobicContact CB-CD2 4.05Å; E302-F333 HydrophobicContact CB-CE2 4.39Å; E302-F333 HydrophobicContact CG-CD2 3.95Å; E302-F333 HydrophobicContact CG-CE2 4.42Å; E302-F333 PolarHBondContact O-N 2.89Å; E302-F333 WeakPolarHBondContact OE2-CE2 3.34Å; D303-F333 WeakPolarHBondContact CA-O 3.27Å; L304-F333 PolarHBondContact N-O 2.74Å; W322-F333 HydrophobicContact CE3-CB 4.31Å; W323-F333 CarbonylContact O-C 3.45Å; W323-F333 VanDerWaalsContact O-CA 3.24Å; W323-F333 WeakPolarHBondContact O-CA 3.24Å; K324-F333 HydrophobicContact CB-CD1 3.82Å; K324-F333 HydrophobicContact CB-CE1 3.72Å; K324-F333 HydrophobicContact CD-CE1 4.09Å; K324-F333 HydrophobicContact CD-CZ 4.15Å; K324-F333 HydrophobicContact CG-CD1 4.14Å; K324-F333 HydrophobicContact CG-CE1 3.93Å; K324-F333 HydrophobicContact CG-CZ 4.3Å |
| 334 | F | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 158.5 | 177.5 | 65.4 | -88.2 | 0 | 0 | 0 | 111.7 | F296 L304 M306 I312 L314 W322 W323 A336 V339 | F296-F334 HydrophobicContact CD1-CB 4.17Å; F296-F334 HydrophobicContact CE1-CB 4.46Å; L304-F334 HydrophobicContact CD2-CD1 4.01Å; M306-F334 HydrophobicContact CE-CB 3.77Å; M306-F334 HydrophobicContact CE-CD2 3.98Å; M306-F334 HydrophobicContact CE-CG 4.18Å; M306-F334 HydrophobicContact CG-CB 4.36Å; M306-F334 HydrophobicContact SD-CB 3.62Å; M306-F334 HydrophobicContact SD-CD1 4.45Å; M306-F334 HydrophobicContact SD-CD2 3.76Å; M306-F334 HydrophobicContact SD-CG 3.68Å; I312-F334 HydrophobicContact CG2-CE1 3.87Å; I312-F334 HydrophobicContact CG2-CZ 4.12Å; L314-F334 HydrophobicContact CD1-CZ 4.32Å; W322-F334 WeakPolarHBondContact CA-O 3.21Å; W322-F334 VanDerWaalsContact CE3-C 3.46Å; W323-F334 HydrophobicContact CB-CE1 4.02Å; W323-F334 HydrophobicContact CB-CE2 4.01Å; W323-F334 HydrophobicContact CB-CZ 3.66Å; W323-F334 HydrophobicContact CE3-CE2 4.07Å; W323-F334 HydrophobicContact CE3-CZ 4.18Å; W323-F334 PolarHBondContact N-O 2.68Å; W323-F334 WeakPolarHBondContact O-CD1 3.31Å; W323-F334 PolarHBondContact O-N 2.71Å; F334-A336 PolarHBondContact O-N 3.06Å; F334-V339 HydrophobicContact CD2-CG1 3.8Å; F334-V339 HydrophobicContact CE2-CB 4.32Å; F334-V339 HydrophobicContact CE2-CG1 3.52Å; F334-V339 HydrophobicContact CE2-CG2 3.79Å; F334-V339 HydrophobicContact CZ-CG1 4.45Å |
| 335 | P | 96 | Very high | 93.8 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 7% | 0.071 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 124 | 178.5 | -19.9 | 33.2 | 0 | 0 | 0 | 112.1 | F296 D321 W322 N337 F338 | F296-P335 HydrophobicContact CD2-CG 4.15Å; F296-P335 HydrophobicContact CE2-CG 4.22Å; F296-P335 HydrophobicContact CG-CG 4.41Å; D321-P335 WeakPolarHBondContact O-CA 3.31Å; W322-P335 HydrophobicContact CE3-CG 4.39Å; W322-P335 HydrophobicContact CH2-CG 4.16Å; W322-P335 HydrophobicContact CZ3-CG 3.98Å; P335-N337 VanDerWaalsContact CB-OD1 3.28Å; P335-N337 WeakPolarHBondContact CB-OD1 3.49Å; P335-N337 PolarHBondContact O-N 2.69Å; P335-N337 VanDerWaalsContact O-N 3.13Å; P335-F338 HydrophobicContact CB-CB 4.32Å; P335-F338 HydrophobicContact CB-CD1 3.99Å; P335-F338 HydrophobicContact CB-CE1 4.47Å; P335-F338 HydrophobicContact CB-CG 4.1Å; P335-F338 HydrophobicContact CG-CD1 4.45Å; P335-F338 HydrophobicContact CG-CD2 4.42Å; P335-F338 HydrophobicContact CG-CG 4.3Å; P335-F338 WeakPolarHBondContact O-CB 3.48Å; P335-F338 PolarHBondContact O-N 3.26Å |
| 336 | A | 95.1 | Very high | 93.6 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -58.4 | -30.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E320 D321 W323 F334 F338 V339 | E320-A336 VanDerWaalsContact O-CB 3.29Å; E320-A336 WeakPolarHBondContact O-CB 3.48Å; D321-A336 PolarHBondContact O-N 2.97Å; W323-A336 HydrophobicContact CD2-CB 3.46Å; W323-A336 VanDerWaalsContact CD2-CB 3.46Å; W323-A336 VanDerWaalsContact CE2-CB 3.45Å; W323-A336 HydrophobicContact CE3-CB 3.84Å; W323-A336 HydrophobicContact CG-CB 3.86Å; W323-A336 HydrophobicContact CH2-CB 4.18Å; W323-A336 HydrophobicContact CZ2-CB 3.84Å; W323-A336 HydrophobicContact CZ3-CB 4.17Å; F334-A336 PolarHBondContact O-N 3.06Å; A336-F338 VanDerWaalsContact C-N 3.29Å; A336-F338 PolarHBondContact O-N 2.84Å; A336-V339 WeakPolarHBondContact O-CG2 3.46Å |
| 337 | N | 95.2 | Very high | 93.5 | Very high | 116 Ų | 116 | 67.2 Ų | 67.2 | 62% | 0.62 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -78.9 | -3.6 | 178.5 | 65.5 | -3.5 | 0 | 0 | 0 | 114.8 | P335 | P335-N337 VanDerWaalsContact CB-OD1 3.28Å; P335-N337 WeakPolarHBondContact CB-OD1 3.49Å; P335-N337 PolarHBondContact O-N 2.69Å; P335-N337 VanDerWaalsContact O-N 3.13Å |
| 338 | F | 96 | Very high | 93.5 | Very high | 59 Ų | 59 | 67.5 Ų | 67.5 | 26% | 0.259 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -92.2 | -8.2 | 177.9 | -85.1 | 32.8 | 0 | 0 | 0 | 113.5 | L293 Y294 K295 F296 M306 P335 A336 | L293-F338 WeakPolarHBondContact CB-O 3.42Å; L293-F338 PolarHBondContact N-O 2.98Å; Y294-F338 HydrophobicContact CD2-CB 4.42Å; Y294-F338 HydrophobicContact CD2-CD1 4.27Å; Y294-F338 HydrophobicContact CD2-CG 4.19Å; K295-F338 WeakPolarHBondContact O-CE2 3.44Å; F296-F338 HydrophobicContact CB-CD2 4.04Å; F296-F338 HydrophobicContact CB-CE2 4.32Å; M306-F338 HydrophobicContact CE-CB 3.76Å; M306-F338 HydrophobicContact CE-CD2 4.38Å; P335-F338 HydrophobicContact CB-CB 4.32Å; P335-F338 HydrophobicContact CB-CD1 3.99Å; P335-F338 HydrophobicContact CB-CE1 4.47Å; P335-F338 HydrophobicContact CB-CG 4.1Å; P335-F338 HydrophobicContact CG-CD1 4.45Å; P335-F338 HydrophobicContact CG-CD2 4.42Å; P335-F338 HydrophobicContact CG-CG 4.3Å; P335-F338 WeakPolarHBondContact O-CB 3.48Å; P335-F338 PolarHBondContact O-N 3.26Å; A336-F338 VanDerWaalsContact C-N 3.29Å; A336-F338 PolarHBondContact O-N 2.84Å |
| 339 | V | 95.7 | Very high | 93.8 | Very high | 15 Ų | 15 | 60.2 Ų | 60.2 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 160.6 | -177.3 | -59 | 0 | 0 | 0 | 0 | 112.6 | Y290 V291 M306 I312 W323 F334 A336 | Y290-V339 HydrophobicContact CD1-CB 4.22Å; Y290-V339 HydrophobicContact CD1-CG2 3.61Å; Y290-V339 HydrophobicContact CE1-CG2 4.35Å; Y290-V339 HydrophobicContact CG-CG2 4.25Å; V291-V339 CarbonylContact O-C 3.59Å; V291-V339 VanDerWaalsContact O-CA 3.28Å; V291-V339 WeakPolarHBondContact O-CA 3.31Å; M306-V339 HydrophobicContact CE-CG1 4.19Å; M306-V339 HydrophobicContact SD-CG1 4.02Å; I312-V339 HydrophobicContact CD1-CG1 3.72Å; W323-V339 HydrophobicContact CE3-CG2 4.07Å; W323-V339 HydrophobicContact CZ3-CG2 3.81Å; F334-V339 HydrophobicContact CD2-CG1 3.8Å; F334-V339 HydrophobicContact CE2-CB 4.32Å; F334-V339 HydrophobicContact CE2-CG1 3.52Å; F334-V339 HydrophobicContact CE2-CG2 3.79Å; F334-V339 HydrophobicContact CZ-CG1 4.45Å; A336-V339 WeakPolarHBondContact O-CG2 3.46Å |
| 340 | Q | 95.4 | Very high | 94.1 | Very high | 26 Ų | 26 | 58 Ų | 58 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.4 | 172.9 | 172.9 | 57.8 | 60.5 | 0 | 0 | 108.2 | Y290 V291 L293 L342 V373 | Y290-Q340 CarbonylContact C-O 3.49Å; Y290-Q340 VanDerWaalsContact CA-O 3.25Å; Y290-Q340 WeakPolarHBondContact CA-O 3.34Å; V291-Q340 HydrophobicContact CG1-CB 3.92Å; V291-Q340 HydrophobicContact CG1-CG 4.39Å; V291-Q340 PolarHBondContact N-O 3.11Å; V291-Q340 PolarHBondContact O-N 3.28Å; L293-Q340 HydrophobicContact CD1-CB 4.03Å; L293-Q340 HydrophobicContact CD2-CB 3.75Å; L293-Q340 HydrophobicContact CG-CB 3.84Å; Q340-L342 PolarHBondContact O-N 3.13Å; Q340-V373 HydrophobicContact CG-CG1 4.11Å; Q340-V373 HydrophobicContact CG-CG2 3.84Å |
| 341 | R | 94.4 | Very high | 94.2 | Very high | 108 Ų | 108 | 53.1 Ų | 53.1 | 41% | 0.408 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 132.1 | 172.4 | -165.6 | -179.3 | -167.8 | 175.8 | 9.8 | 108.8 | M287 Y290 | M287-R341 PolarHBondContact O-NE 2.96Å; M287-R341 PolarHBondContact O-NH2 3.38Å; Y290-R341 VanDerWaalsContact CD1-CA 3.4Å; Y290-R341 HydrophobicContact CD1-CB 3.89Å; Y290-R341 HydrophobicContact CD1-CG 4.35Å; Y290-R341 HydrophobicContact CE1-CB 3.53Å; Y290-R341 HydrophobicContact CE1-CG 3.86Å; Y290-R341 HydrophobicContact CE2-CG 4.15Å |
| 342 | L | 93.9 | Very high | 94.2 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | trans | -89.6 | 146.1 | 170.7 | -67.5 | 168.5 | 0 | 0 | 0 | 109.4 | T289 V291 Q340 I348 V373 | T289-L342 HydrophobicContact CG2-CD1 4.11Å; T289-L342 PolarHBondContact O-N 3.42Å; V291-L342 HydrophobicContact CB-CD1 4.18Å; V291-L342 HydrophobicContact CB-CD2 4.3Å; V291-L342 HydrophobicContact CB-CG 4.28Å; V291-L342 HydrophobicContact CG1-CD2 3.91Å; V291-L342 HydrophobicContact CG1-CG 4.22Å; Q340-L342 PolarHBondContact O-N 3.13Å; L342-I348 HydrophobicContact CD1-CD1 3.94Å; L342-I348 HydrophobicContact CD2-CD1 4.16Å; L342-I348 HydrophobicContact CD2-CG1 3.88Å; L342-V373 HydrophobicContact CD2-CB 4.32Å; L342-V373 HydrophobicContact CD2-CG1 3.6Å | ||
| 343 | Q | 89.7 | Confident | 94.1 | Very high | 101 Ų | 101 | 56.9 Ų | 56.9 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | trans | -106.8 | 162.3 | 167.8 | -58.9 | -62.4 | -85.7 | 0 | 0 | 111.1 | N345 E346 | Q343-N345 PolarHBondContact O-N 2.98Å; Q343-E346 HydrophobicContact CB-CG 3.94Å; Q343-E346 PolarHBondContact N-OE2 2.69Å; Q343-E346 WeakPolarHBondContact O-CB 3.25Å; Q343-E346 PolarHBondContact O-N 3.34Å | ||
| 344 | Q | 82 | Confident | 94.1 | Very high | 94 Ų | 94 | 57.7 Ų | 57.7 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 126.9 | 173.4 | -168.5 | 169.3 | 18.6 | 0 | 0 | 109.4 | Q286 | Q286-Q344 VanDerWaalsContact OE1-CD 3.27Š|
| 345 | N | 86.2 | Confident | 94 | Very high | 143 Ų | 143 | 59.4 Ų | 59.4 | 77% | 0.765 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 13.8 | -175.1 | -49.2 | -15.2 | 0 | 0 | 0 | 116.6 | Q343 | Q343-N345 PolarHBondContact O-N 2.98Š|
| 346 | E | 92.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 62.8 Ų | 62.8 | 16% | 0.159 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 131.3 | 168.8 | -75.1 | -171.2 | 148 | 0 | 0 | 112.5 | Q343 S374 S375 | Q343-E346 HydrophobicContact CB-CG 3.94Å; Q343-E346 PolarHBondContact N-OE2 2.69Å; Q343-E346 WeakPolarHBondContact O-CB 3.25Å; Q343-E346 PolarHBondContact O-N 3.34Å; E346-S374 CarbonylContact C-O 3.55Å; E346-S374 WeakPolarHBondContact CA-O 3.28Å; E346-S375 PolarHBondContact OE1-OG 3.43Å |
| 347 | K | 94.1 | Very high | 93.8 | Very high | 115 Ų | 115 | 62.6 Ų | 62.6 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 141.8 | 171.8 | -65.5 | 171.1 | -174.7 | 167.9 | 0 | 109.9 | F349 V373 S374 | K347-F349 HydrophobicContact CB-CD2 4.33Å; K347-F349 HydrophobicContact CB-CE2 3.54Å; K347-F349 HydrophobicContact CB-CZ 3.79Å; K347-F349 HydrophobicContact CD-CZ 4.12Å; K347-V373 CarbonylContact O-C 3.5Å; K347-V373 WeakPolarHBondContact O-CA 3.28Å; K347-S374 PolarHBondContact N-O 3.42Å; K347-S374 PolarHBondContact O-N 3.25Å |
| 348 | I | 95.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 59 Ų | 59 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.6 | 178.9 | -49.6 | 177.5 | 0 | 0 | 0 | 108.4 | V291 I311 L342 I371 N401 I402 | V291-I348 HydrophobicContact CB-CD1 4.23Å; V291-I348 HydrophobicContact CG2-CD1 4.11Å; V291-I348 HydrophobicContact CG2-CG2 3.93Å; I311-I348 HydrophobicContact CD1-CD1 3.93Å; I311-I348 HydrophobicContact CG1-CD1 3.93Å; L342-I348 HydrophobicContact CD1-CD1 3.94Å; L342-I348 HydrophobicContact CD2-CD1 4.16Å; L342-I348 HydrophobicContact CD2-CG1 3.88Å; I348-I371 HydrophobicContact CG2-CG2 3.93Å; I348-N401 WeakPolarHBondContact O-CA 3.37Å; I348-N401 PolarHBondContact O-OD1 3.46Å; I348-I402 HydrophobicContact CB-CG1 4.03Å; I348-I402 HydrophobicContact CG2-CD1 3.78Å; I348-I402 HydrophobicContact CG2-CG1 3.61Å; I348-I402 PolarHBondContact O-N 2.72Å; I348-I402 VanDerWaalsContact O-N 3.07Å |
| 349 | F | 96.9 | Very high | 93.3 | Very high | 13 Ų | 13 | 65 Ų | 65 | 6% | 0.057 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.2 | 179.7 | -61.9 | -84.5 | 0 | 0 | 0 | 112.4 | K347 I371 C372 I383 L396 L399 E400 N401 | K347-F349 HydrophobicContact CB-CD2 4.33Å; K347-F349 HydrophobicContact CB-CE2 3.54Å; K347-F349 HydrophobicContact CB-CZ 3.79Å; K347-F349 HydrophobicContact CD-CZ 4.12Å; F349-I371 WeakPolarHBondContact O-CA 3.34Å; F349-C372 PolarHBondContact N-O 3.25Å; F349-C372 PolarHBondContact O-N 3.27Å; F349-I383 HydrophobicContact CE2-CD1 3.85Å; F349-I383 HydrophobicContact CZ-CD1 3.88Å; F349-L396 HydrophobicContact CE1-CD2 4.24Å; F349-L396 HydrophobicContact CZ-CD2 4.5Å; F349-L399 HydrophobicContact CB-CB 4.18Å; F349-L399 HydrophobicContact CB-CD1 4.02Å; F349-L399 HydrophobicContact CB-CD2 4.05Å; F349-L399 HydrophobicContact CB-CG 4.32Å; F349-L399 HydrophobicContact CD1-CB 3.92Å; F349-L399 HydrophobicContact CD1-CD1 4.11Å; F349-L399 HydrophobicContact CD2-CD1 4.32Å; F349-L399 HydrophobicContact CG-CB 4.3Å; F349-L399 HydrophobicContact CG-CD1 3.91Å; F349-E400 CarbonylContact C-O 3.59Å; F349-E400 VanDerWaalsContact CA-O 3.24Å; F349-E400 WeakPolarHBondContact CA-O 3.38Å; F349-N401 HydrophobicContact CD1-CB 4.19Å; F349-N401 HydrophobicContact CE1-CB 4.07Å |
| 350 | R | 97.2 | Very high | 93.1 | Very high | 89 Ų | 89 | 73.1 Ų | 73.1 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.1 | 163.9 | 179 | 166.2 | 65.3 | -167.3 | 2.1 | 109.1 | V352 I371 L399 E400 I402 | R350-V352 PolarHBondContact O-N 3.46Å; R350-I371 HydrophobicContact CB-CD1 4.14Å; R350-I371 HydrophobicContact CG-CD1 4.38Å; R350-L399 WeakPolarHBondContact O-CA 3.11Å; R350-E400 IonicContact CZ-OE1 3.48Å; R350-E400 IonicContact CZ-OE2 2.71Å; R350-E400 PolarHBondContact N-O 2.87Å; R350-E400 IonicContact NE-OE2 3.68Å; R350-E400 PolarHBondContact NE-OE2 3.45Å; R350-E400 IonicContact NH2-OE1 3.32Å; R350-E400 PolarHBondContact NH2-OE1 2.82Å; R350-E400 IonicContact NH2-OE2 2.96Å; R350-E400 PolarHBondContact NH2-OE2 3.1Å; R350-E400 PolarHBondContact O-N 3.37Å; R350-I402 HydrophobicContact CB-CD1 4.32Å; R350-I402 HydrophobicContact CB-CG2 3.85Å |
| 351 | C | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 111.4 | 175.1 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | R353 L366 K367 E368 N369 Q370 V398 L399 | C351-R353 PolarHBondContact O-N 3.48Å; C351-R353 PolarHBondContact SG-O 2.9Å; C351-L366 HydrophobicContact CB-CB 4.32Å; C351-L366 HydrophobicContact CB-CD1 4.46Å; C351-K367 WeakPolarHBondContact CB-O 2.71Å; C351-E368 CarbonylContact O-C 3.57Å; C351-E368 WeakPolarHBondContact O-CA 3.29Å; C351-N369 PolarHBondContact O-N 3.45Å; C351-Q370 WeakPolarHBondContact CB-O 3.22Å; C351-Q370 PolarHBondContact N-O 2.87Å; C351-V398 CarbonylContact C-O 3.52Å; C351-V398 VanDerWaalsContact CA-O 3.26Å; C351-V398 WeakPolarHBondContact CA-O 3.49Å; C351-V398 PolarHBondContact SG-O 3.08Å; C351-V398 VanDerWaalsContact SG-O 3.36Å; C351-L399 HydrophobicContact CB-CD2 4.17Å |
| 352 | V | 96.7 | Very high | 92.7 | Very high | 63 Ų | 63 | 73.7 Ų | 73.7 | 38% | 0.382 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -78 | -15.4 | -173.3 | -58.8 | 0 | 0 | 0 | 0 | 114.4 | R350 V398 E400 | R350-V352 PolarHBondContact O-N 3.46Å; V352-V398 PolarHBondContact N-O 3.03Å; V352-E400 HydrophobicContact CG1-CB 3.4Å; V352-E400 HydrophobicContact CG1-CG 4.35Å; V352-E400 WeakPolarHBondContact CG1-OE2 3.49Å |
| 353 | R | 94.3 | Very high | 92.7 | Very high | 116 Ų | 116 | 74.4 Ų | 74.4 | 44% | 0.438 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -154.6 | 139.3 | 177.8 | 63.4 | -169.3 | -168.9 | 79.1 | -0.6 | 111.6 | C351 F355 D397 V398 | C351-R353 PolarHBondContact O-N 3.48Å; C351-R353 PolarHBondContact SG-O 2.9Å; R353-F355 PolarHBondContact O-N 2.79Å; R353-F355 VanDerWaalsContact O-N 3.09Å; R353-D397 IonicContact CZ-OD2 3.21Å; R353-D397 IonicContact NE-OD2 2.73Å; R353-D397 IonicContact NH2-OD1 2.82Å; R353-D397 IonicContact NH2-OD2 3.97Å; R353-D397 PolarHBondContact NH2-OD2 3.06Å; R353-V398 HydrophobicContact CG-CB 3.91Å; R353-V398 HydrophobicContact CG-CG1 3.78Å |
| 354 | T | 95.1 | Very high | 93 | Very high | 67 Ų | 67 | 70.1 Ų | 70.1 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | trans | -59.3 | 113.9 | -175.8 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | E368 | T354-E368 PolarHBondContact OG1-N 2.83Š| ||
| 355 | F | 94.9 | Very high | 93.6 | Very high | 35 Ų | 35 | 68.4 Ų | 68.4 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.9 | 177.6 | 176.5 | -99.6 | 0 | 0 | 0 | 111.3 | R353 G357 Q363 I364 T365 L366 F382 I394 P395 V398 | R353-F355 PolarHBondContact O-N 2.79Å; R353-F355 VanDerWaalsContact O-N 3.09Å; F355-G357 VanDerWaalsContact CE1-N 3.33Å; F355-Q363 HydrophobicContact CE1-CB 4.46Å; F355-I364 VanDerWaalsContact CD1-O 3.3Å; F355-I364 WeakPolarHBondContact CD1-O 3.41Å; F355-I364 WeakPolarHBondContact CE1-O 3.48Å; F355-T365 WeakPolarHBondContact O-CA 3.41Å; F355-L366 PolarHBondContact N-O 3.01Å; F355-L366 PolarHBondContact O-N 3.45Å; F355-F382 HydrophobicContact CZ-CE1 4.49Å; F355-I394 HydrophobicContact CB-CD1 4.25Å; F355-I394 HydrophobicContact CB-CG1 4.45Å; F355-I394 HydrophobicContact CD1-CD1 4.03Å; F355-I394 HydrophobicContact CD1-CG1 3.65Å; F355-I394 HydrophobicContact CE1-CG1 4.13Å; F355-I394 HydrophobicContact CG-CD1 4.43Å; F355-I394 HydrophobicContact CG-CG1 4.15Å; F355-P395 HydrophobicContact CD2-CG 4.1Å; F355-P395 HydrophobicContact CE2-CG 3.66Å; F355-P395 VanDerWaalsContact CZ-CD 3.46Å; F355-P395 HydrophobicContact CZ-CG 3.93Å; F355-V398 HydrophobicContact CB-CB 4.47Å; F355-V398 HydrophobicContact CB-CG1 4.36Å; F355-V398 HydrophobicContact CB-CG2 3.96Å; F355-V398 HydrophobicContact CD2-CG1 4.49Å; F355-V398 HydrophobicContact CG-CG2 4.36Å |
| 356 | I | 94.8 | Very high | 94.1 | Very high | 83 Ų | 83 | 61.6 Ų | 61.6 | 43% | 0.426 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 89.7 | 177.7 | -54.4 | -171 | 0 | 0 | 0 | 108.9 | R169 T365 | R169-I356 VanDerWaalsContact NH2-CG1 3.33Å; I356-T365 HydrophobicContact CB-CG2 4.31Å; I356-T365 HydrophobicContact CG1-CG2 4.02Å; I356-T365 HydrophobicContact CG2-CG2 4.23Å |
| 357 | G | 91.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 66.9 Ų | 66.9 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | trans | -71.2 | 150.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F355 K359 I364 T365 | F355-G357 VanDerWaalsContact CE1-N 3.33Å; G357-K359 PolarHBondContact O-N 3.16Å; G357-I364 VanDerWaalsContact CA-O 3.31Å; G357-I364 WeakPolarHBondContact CA-O 3.25Å; G357-I364 PolarHBondContact N-O 3.34Å; G357-T365 PolarHBondContact N-OG1 3.42Å | ||
| 358 | C | 91.6 | Very high | 94.3 | Very high | 39 Ų | 39 | 66.7 Ų | 66.7 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | trans | -78.3 | 114.6 | 172.6 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | E360 Q361 G362 Q363 | C358-E360 VanDerWaalsContact C-N 3.26Å; C358-E360 PolarHBondContact O-N 3.13Å; C358-Q361 HydrophobicContact CB-CB 4.24Å; C358-Q361 HydrophobicContact CB-CG 4.21Å; C358-Q361 CarbonylContact O-C 3.53Å; C358-Q361 WeakPolarHBondContact O-CA 3.39Å; C358-Q361 PolarHBondContact O-N 2.89Å; C358-G362 PolarHBondContact O-N 3.02Å; C358-Q363 WeakPolarHBondContact O-CB 3.28Å; C358-Q363 PolarHBondContact O-N 2.87Å; C358-Q363 VanDerWaalsContact O-N 3.11Å | ||
| 359 | K | 90.2 | Very high | 94.3 | Very high | 187 Ų | 187 | 70.4 Ų | 70.4 | 81% | 0.813 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -58.5 | -34.4 | 177.9 | -72.3 | -173.2 | 175.8 | -173.9 | 0 | 113.8 | G357 Q361 G362 | G357-K359 PolarHBondContact O-N 3.16Å; K359-Q361 PolarHBondContact O-N 3.2Å; K359-G362 PolarHBondContact O-N 2.86Å |
| 360 | E | 91.3 | Very high | 94.2 | Very high | 184 Ų | 184 | 71.1 Ų | 71.1 | 86% | 0.86 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -64.5 | -21 | 177.2 | -60.8 | 175.3 | -177.2 | 0 | 0 | 112.1 | C358 | C358-E360 VanDerWaalsContact C-N 3.26Å; C358-E360 PolarHBondContact O-N 3.13Å |
| 361 | Q | 88.6 | Confident | 94.3 | Very high | 108 Ų | 108 | 66.9 Ų | 66.9 | 51% | 0.505 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -102.3 | 13.9 | 176.1 | -61.1 | 176.6 | -9.3 | 0 | 0 | 112 | C358 K359 Q363 | C358-Q361 HydrophobicContact CB-CB 4.24Å; C358-Q361 HydrophobicContact CB-CG 4.21Å; C358-Q361 CarbonylContact O-C 3.53Å; C358-Q361 WeakPolarHBondContact O-CA 3.39Å; C358-Q361 PolarHBondContact O-N 2.89Å; K359-Q361 PolarHBondContact O-N 3.2Å; Q361-Q363 HydrophobicContact CB-CG 4.24Å; Q361-Q363 PolarHBondContact O-N 3.1Å |
| 362 | G | 92.4 | Very high | 94.2 | Very high | 39 Ų | 39 | 66.9 Ų | 66.9 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 11.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C358 K359 G392 L393 | C358-G362 PolarHBondContact O-N 3.02Å; K359-G362 PolarHBondContact O-N 2.86Å; G362-G392 CarbonylContact O-C 3.51Å; G362-G392 VanDerWaalsContact O-CA 3.25Å; G362-G392 WeakPolarHBondContact O-CA 3.19Å; G362-L393 PolarHBondContact O-N 3.16Å |
| 363 | Q | 95 | Very high | 94.2 | Very high | 32 Ų | 32 | 63.9 Ų | 63.9 | 15% | 0.15 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -83.2 | 145.4 | -178.1 | -62 | 166.9 | -4.4 | 0 | 0 | 111.9 | F355 C358 Q361 F382 L393 | F355-Q363 HydrophobicContact CE1-CB 4.46Å; C358-Q363 WeakPolarHBondContact O-CB 3.28Å; C358-Q363 PolarHBondContact O-N 2.87Å; C358-Q363 VanDerWaalsContact O-N 3.11Å; Q361-Q363 HydrophobicContact CB-CG 4.24Å; Q361-Q363 PolarHBondContact O-N 3.1Å; Q363-F382 HydrophobicContact CG-CE1 4.36Å; Q363-L393 CarbonylContact C-O 3.52Å; Q363-L393 WeakPolarHBondContact CA-O 3.22Å; Q363-L393 WeakPolarHBondContact CB-O 3.35Å; Q363-L393 HydrophobicContact CG-CB 4.18Å |
| 364 | I | 95.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | trans | -91.4 | 155.2 | 178.4 | -169.8 | 161.4 | 0 | 0 | 0 | 111.7 | F355 G357 L366 V385 K390 L393 I394 | F355-I364 VanDerWaalsContact CD1-O 3.3Å; F355-I364 WeakPolarHBondContact CD1-O 3.41Å; F355-I364 WeakPolarHBondContact CE1-O 3.48Å; G357-I364 VanDerWaalsContact CA-O 3.31Å; G357-I364 WeakPolarHBondContact CA-O 3.25Å; G357-I364 PolarHBondContact N-O 3.34Å; I364-L366 HydrophobicContact CD1-CD2 3.73Å; I364-L366 HydrophobicContact CD1-CG 4.42Å; I364-L366 HydrophobicContact CG1-CD2 3.88Å; I364-L366 HydrophobicContact CG1-CG 4.26Å; I364-L366 HydrophobicContact CG2-CG 4.14Å; I364-V385 HydrophobicContact CG2-CG2 3.86Å; I364-K390 HydrophobicContact CD1-CB 3.64Å; I364-K390 WeakPolarHBondContact CD1-O 3.32Å; I364-L393 PolarHBondContact N-O 2.95Å; I364-I394 HydrophobicContact CG2-CB 3.87Å; I364-I394 HydrophobicContact CG2-CD1 4.38Å | ||
| 365 | T | 95.4 | Very high | 94.1 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 36% | 0.356 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 115.5 | 166.4 | -66.2 | 0 | 0 | 0 | 0 | 108.5 | F355 I356 G357 | F355-T365 WeakPolarHBondContact O-CA 3.41Å; I356-T365 HydrophobicContact CB-CG2 4.31Å; I356-T365 HydrophobicContact CG1-CG2 4.02Å; I356-T365 HydrophobicContact CG2-CG2 4.23Å; G357-T365 PolarHBondContact N-OG1 3.42Å |
| 366 | L | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 144.4 | 173.9 | -62.3 | -171 | 0 | 0 | 0 | 110 | C351 F355 I364 C372 V385 I394 | C351-L366 HydrophobicContact CB-CB 4.32Å; C351-L366 HydrophobicContact CB-CD1 4.46Å; F355-L366 PolarHBondContact N-O 3.01Å; F355-L366 PolarHBondContact O-N 3.45Å; I364-L366 HydrophobicContact CD1-CD2 3.73Å; I364-L366 HydrophobicContact CD1-CG 4.42Å; I364-L366 HydrophobicContact CG1-CD2 3.88Å; I364-L366 HydrophobicContact CG1-CG 4.26Å; I364-L366 HydrophobicContact CG2-CG 4.14Å; L366-C372 HydrophobicContact CD1-CB 3.83Å; L366-C372 VanDerWaalsContact CD1-SG 3.59Å; L366-V385 HydrophobicContact CD1-CG2 4.12Å; L366-I394 HydrophobicContact CB-CD1 4Å; L366-I394 HydrophobicContact CD1-CD1 3.62Å; L366-I394 HydrophobicContact CG-CD1 3.86Å |
| 367 | K | 95.6 | Very high | 93.7 | Very high | 146 Ų | 146 | 64.3 Ų | 64.3 | 64% | 0.635 | 33% | 0.327 | S | S | * | . | trans | -84.1 | 157.5 | 170.2 | -68.4 | -172.4 | 176.4 | -172.5 | 0 | 110.7 | C351 Q370 | C351-K367 WeakPolarHBondContact CB-O 2.71Å; K367-Q370 HydrophobicContact CB-CB 4.38Å; K367-Q370 WeakPolarHBondContact O-CB 3.14Å; K367-Q370 PolarHBondContact O-N 2.96Å; K367-Q370 VanDerWaalsContact O-N 3.13Å | ||
| 368 | E | 95 | Very high | 93.7 | Very high | 110 Ų | 110 | 69.7 Ų | 69.7 | 51% | 0.514 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 141.8 | 162.1 | -165.3 | -167.7 | 121.2 | 0 | 0 | 111.4 | C351 T354 Q370 | C351-E368 CarbonylContact O-C 3.57Å; C351-E368 WeakPolarHBondContact O-CA 3.29Å; T354-E368 PolarHBondContact OG1-N 2.83Å; E368-Q370 PolarHBondContact O-N 2.9Å; E368-Q370 VanDerWaalsContact O-N 3.1Å |
| 369 | N | 94.8 | Very high | 93.7 | Very high | 91 Ų | 91 | 75.1 Ų | 75.1 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 11.1 | -174.5 | -61.2 | -69.2 | 0 | 0 | 0 | 115.3 | C351 | C351-N369 PolarHBondContact O-N 3.45Š|
| 370 | Q | 96.5 | Very high | 93.7 | Very high | 28 Ų | 28 | 73.5 Ų | 73.5 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | trans | -82.3 | 137.4 | 171.6 | -167.5 | 179.6 | -21.9 | 0 | 0 | 110.4 | C351 K367 E368 S387 | C351-Q370 WeakPolarHBondContact CB-O 3.22Å; C351-Q370 PolarHBondContact N-O 2.87Å; K367-Q370 HydrophobicContact CB-CB 4.38Å; K367-Q370 WeakPolarHBondContact O-CB 3.14Å; K367-Q370 PolarHBondContact O-N 2.96Å; K367-Q370 VanDerWaalsContact O-N 3.13Å; E368-Q370 PolarHBondContact O-N 2.9Å; E368-Q370 VanDerWaalsContact O-N 3.1Å; Q370-S387 PolarHBondContact NE2-OG 3.46Å | ||
| 371 | I | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 143.9 | 179.5 | -51.6 | -57.4 | 0 | 0 | 0 | 111.1 | V291 L293 P308 I348 F349 R350 S387 I402 | V291-I371 HydrophobicContact CG2-CG2 4.16Å; L293-I371 HydrophobicContact CD2-CB 4.13Å; L293-I371 HydrophobicContact CD2-CG2 4.28Å; P308-I371 HydrophobicContact CB-CD1 4Å; P308-I371 HydrophobicContact CB-CG1 3.54Å; I348-I371 HydrophobicContact CG2-CG2 3.93Å; F349-I371 WeakPolarHBondContact O-CA 3.34Å; R350-I371 HydrophobicContact CB-CD1 4.14Å; R350-I371 HydrophobicContact CG-CD1 4.38Å; I371-S387 WeakPolarHBondContact O-CB 3.44Å; I371-S387 PolarHBondContact O-OG 3.09Å; I371-I402 HydrophobicContact CD1-CD1 3.88Å |
| 372 | C | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 156.6 | 170 | 61.9 | 0 | 0 | 0 | 0 | 111.1 | F349 L366 V385 L386 | F349-C372 PolarHBondContact N-O 3.25Å; F349-C372 PolarHBondContact O-N 3.27Å; L366-C372 HydrophobicContact CD1-CB 3.83Å; L366-C372 VanDerWaalsContact CD1-SG 3.59Å; C372-V385 HydrophobicContact CB-CB 3.86Å; C372-V385 HydrophobicContact CB-CG2 3.99Å; C372-L386 CarbonylContact C-O 3.51Å; C372-L386 WeakPolarHBondContact CA-O 3.46Å; C372-L386 WeakPolarHBondContact CB-O 3.41Å |
| 373 | V | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 153.2 | -178.7 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | V291 Q340 L342 K347 V385 L386 | V291-V373 HydrophobicContact CG1-CG1 3.71Å; Q340-V373 HydrophobicContact CG-CG1 4.11Å; Q340-V373 HydrophobicContact CG-CG2 3.84Å; L342-V373 HydrophobicContact CD2-CB 4.32Å; L342-V373 HydrophobicContact CD2-CG1 3.6Å; K347-V373 CarbonylContact O-C 3.5Å; K347-V373 WeakPolarHBondContact O-CA 3.28Å; V373-V385 CarbonylContact O-C 3.57Å; V373-V385 WeakPolarHBondContact O-CA 3.2Å; V373-L386 HydrophobicContact CG2-CB 3.98Å; V373-L386 HydrophobicContact CG2-CD2 4.37Å; V373-L386 PolarHBondContact N-O 3.01Å; V373-L386 PolarHBondContact O-N 3.45Å |
| 374 | S | 95.2 | Very high | 94.1 | Very high | 5 Ų | 5 | 64.6 Ų | 64.6 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 137.2 | 171.8 | -169 | 0 | 0 | 0 | 0 | 113.7 | E346 K347 E376 R384 | E346-S374 CarbonylContact C-O 3.55Å; E346-S374 WeakPolarHBondContact CA-O 3.28Å; K347-S374 PolarHBondContact N-O 3.42Å; K347-S374 PolarHBondContact O-N 3.25Å; S374-E376 PolarHBondContact OG-N 3.49Å; S374-E376 VanDerWaalsContact OG-N 3.09Å; S374-E376 PolarHBondContact OG-O 3.26Å; S374-R384 VanDerWaalsContact CB-O 3.31Å; S374-R384 WeakPolarHBondContact CB-O 3.29Å; S374-R384 PolarHBondContact OG-O 3.41Å |
| 375 | S | 91.5 | Very high | 94.2 | Very high | 69 Ų | 69 | 64.1 Ų | 64.1 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | trans | -104 | 0.5 | 168.8 | 24.3 | 0 | 0 | 0 | 0 | 112.4 | E346 | E346-S375 PolarHBondContact OE1-OG 3.43Š| ||
| 376 | E | 90.7 | Very high | 94.2 | Very high | 67 Ų | 67 | 63.4 Ų | 63.4 | 31% | 0.313 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -104.2 | 147.1 | -177.6 | -69.9 | 170.8 | -123.5 | 0 | 0 | 110.1 | S374 I383 R384 K391 | S374-E376 PolarHBondContact OG-N 3.49Å; S374-E376 VanDerWaalsContact OG-N 3.09Å; S374-E376 PolarHBondContact OG-O 3.26Å; E376-I383 WeakPolarHBondContact O-CD1 3.37Å; E376-R384 HydrophobicContact CB-CB 4.41Å; E376-R384 WeakPolarHBondContact OE1-CD 3.44Å; E376-R384 IonicContact OE1-NE 3.39Å; E376-R384 VanDerWaalsContact OE2-CB 3.31Å; E376-R384 WeakPolarHBondContact OE2-CB 3.29Å; E376-R384 VanDerWaalsContact OE2-CD 3.32Å; E376-R384 WeakPolarHBondContact OE2-CD 3.13Å; E376-R384 IonicContact OE2-CZ 3.76Å; E376-R384 IonicContact OE2-NE 3.65Å; E376-R384 PolarHBondContact OE2-NE 3.3Å; E376-R384 IonicContact OE2-NH2 2.68Å; E376-K391 WeakPolarHBondContact OE1-CE 3.34Å; E376-K391 IonicContact OE1-NZ 2.69Å; E376-K391 PolarHBondContact OE1-NZ 3.13Å |
| 377 | E | 90.4 | Very high | 94.1 | Very high | 169 Ų | 169 | 63.6 Ų | 63.6 | 79% | 0.79 | 32% | 0.317 | S | S | * | . | trans | -79.4 | 174.8 | 177.3 | -61.7 | -164.9 | 133.8 | 0 | 0 | 112.5 | ||||
| 378 | E | 92.5 | Very high | 93.9 | Very high | 122 Ų | 122 | 57.6 Ų | 57.6 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | trans | -67.4 | 139 | 174 | 179.4 | 172.1 | 172.6 | 0 | 0 | 111.8 | G381 L396 | E378-G381 VanDerWaalsContact OE1-CA 3.25Å; E378-G381 WeakPolarHBondContact OE1-CA 3.32Å; E378-G381 PolarHBondContact OE1-N 2.91Å; E378-L396 HydrophobicContact CB-CD1 3.6Å; E378-L396 VanDerWaalsContact CD-CD1 3.46Å; E378-L396 HydrophobicContact CG-CD1 3.54Å; E378-L396 VanDerWaalsContact OE2-CD1 3.27Å; E378-L396 WeakPolarHBondContact OE2-CD1 3.39Å | ||
| 379 | Q | 90.3 | Very high | 93.7 | Very high | 153 Ų | 153 | 63 Ų | 63 | 72% | 0.715 | 32% | 0.317 | S | S | * | . | B | Isolated β-bridge | trans | -141 | 119.9 | 167.9 | -160.4 | 169.4 | 30.8 | 0 | 0 | 110.5 | G381 F382 | Q379-G381 VanDerWaalsContact C-N 3.33Å; Q379-G381 PolarHBondContact O-N 3.21Å; Q379-F382 PolarHBondContact N-O 3.13Å; Q379-F382 PolarHBondContact O-N 3.49Å; Q379-F382 VanDerWaalsContact O-O 3.06Å |
| 380 | D | 89.9 | Confident | 93.6 | Very high | 153 Ų | 153 | 64.2 Ų | 64.2 | 82% | 0.818 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 36.6 | 178.4 | -164.5 | 41.2 | 0 | 0 | 0 | 114.6 | F382 | D380-F382 WeakPolarHBondContact O-CD2 3.38Å; D380-F382 PolarHBondContact O-N 3.11Å |
| 381 | G | 90.9 | Very high | 93.5 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 32% | 0.32 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -2.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E378 Q379 P395 L396 | E378-G381 VanDerWaalsContact OE1-CA 3.25Å; E378-G381 WeakPolarHBondContact OE1-CA 3.32Å; E378-G381 PolarHBondContact OE1-N 2.91Å; Q379-G381 VanDerWaalsContact C-N 3.33Å; Q379-G381 PolarHBondContact O-N 3.21Å; G381-P395 WeakPolarHBondContact O-CA 3.32Å; G381-L396 PolarHBondContact O-N 3.48Å |
| 382 | F | 94.4 | Very high | 93.4 | Very high | 48 Ų | 48 | 68.8 Ų | 68.8 | 21% | 0.211 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 147.2 | 177.1 | -67.3 | -100.6 | 0 | 0 | 0 | 111.4 | F355 Q363 Q379 D380 L393 I394 P395 | F355-F382 HydrophobicContact CZ-CE1 4.49Å; Q363-F382 HydrophobicContact CG-CE1 4.36Å; Q379-F382 PolarHBondContact N-O 3.13Å; Q379-F382 PolarHBondContact O-N 3.49Å; Q379-F382 VanDerWaalsContact O-O 3.06Å; D380-F382 WeakPolarHBondContact O-CD2 3.38Å; D380-F382 PolarHBondContact O-N 3.11Å; F382-L393 HydrophobicContact CB-CB 4.45Å; F382-L393 HydrophobicContact CB-CD2 4.41Å; F382-L393 HydrophobicContact CD1-CB 4.24Å; F382-I394 CarbonylContact C-O 3.45Å; F382-I394 VanDerWaalsContact CA-O 3.29Å; F382-I394 WeakPolarHBondContact CA-O 3.48Å; F382-P395 HydrophobicContact CD1-CG 4.05Å; F382-P395 HydrophobicContact CE1-CG 3.64Å; F382-P395 HydrophobicContact CZ-CG 4.17Å |
| 383 | I | 96.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 70.8 Ų | 70.8 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 148.3 | 168.6 | -172.1 | 169.1 | 0 | 0 | 0 | 109 | F349 E376 V385 L393 I394 L396 L399 | F349-I383 HydrophobicContact CE2-CD1 3.85Å; F349-I383 HydrophobicContact CZ-CD1 3.88Å; E376-I383 WeakPolarHBondContact O-CD1 3.37Å; I383-V385 HydrophobicContact CG2-CG1 3.94Å; I383-L393 WeakPolarHBondContact O-CA 3.15Å; I383-I394 HydrophobicContact CG2-CG2 4.01Å; I383-I394 PolarHBondContact N-O 3.49Å; I383-I394 PolarHBondContact O-N 3.34Å; I383-L396 HydrophobicContact CB-CD1 4.13Å; I383-L396 HydrophobicContact CB-CD2 4.27Å; I383-L396 HydrophobicContact CB-CG 4.01Å; I383-L396 HydrophobicContact CD1-CD2 4.31Å; I383-L396 HydrophobicContact CG2-CD1 4.38Å; I383-L396 HydrophobicContact CG2-CD2 3.77Å; I383-L396 HydrophobicContact CG2-CG 3.71Å; I383-L399 HydrophobicContact CG2-CD1 3.53Å |
| 384 | R | 95.8 | Very high | 93.4 | Very high | 89 Ų | 89 | 70.8 Ų | 70.8 | 34% | 0.336 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 118.2 | 176.9 | -156.1 | -172.2 | -50.2 | -85 | -6.9 | 110.2 | S374 E376 K391 G392 L393 | S374-R384 VanDerWaalsContact CB-O 3.31Å; S374-R384 WeakPolarHBondContact CB-O 3.29Å; S374-R384 PolarHBondContact OG-O 3.41Å; E376-R384 HydrophobicContact CB-CB 4.41Å; E376-R384 WeakPolarHBondContact OE1-CD 3.44Å; E376-R384 IonicContact OE1-NE 3.39Å; E376-R384 VanDerWaalsContact OE2-CB 3.31Å; E376-R384 WeakPolarHBondContact OE2-CB 3.29Å; E376-R384 VanDerWaalsContact OE2-CD 3.32Å; E376-R384 WeakPolarHBondContact OE2-CD 3.13Å; E376-R384 IonicContact OE2-CZ 3.76Å; E376-R384 IonicContact OE2-NE 3.65Å; E376-R384 PolarHBondContact OE2-NE 3.3Å; E376-R384 IonicContact OE2-NH2 2.68Å; R384-K391 HydrophobicContact CG-CG 4.26Å; R384-G392 WeakPolarHBondContact CA-O 3.24Å; R384-L393 HydrophobicContact CB-CD2 3.89Å; R384-L393 HydrophobicContact CG-CD2 4.1Å |
| 385 | V | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 155 | -175.1 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | I364 L366 C372 V373 I383 K391 G392 I394 L399 | I364-V385 HydrophobicContact CG2-CG2 3.86Å; L366-V385 HydrophobicContact CD1-CG2 4.12Å; C372-V385 HydrophobicContact CB-CB 3.86Å; C372-V385 HydrophobicContact CB-CG2 3.99Å; V373-V385 CarbonylContact O-C 3.57Å; V373-V385 WeakPolarHBondContact O-CA 3.2Å; I383-V385 HydrophobicContact CG2-CG1 3.94Å; V385-K391 VanDerWaalsContact O-CA 3.28Å; V385-K391 WeakPolarHBondContact O-CA 3.31Å; V385-G392 PolarHBondContact N-O 2.64Å; V385-G392 PolarHBondContact O-N 3.1Å; V385-I394 HydrophobicContact CB-CG2 4.3Å; V385-I394 HydrophobicContact CG1-CG2 3.65Å; V385-I394 HydrophobicContact CG2-CB 4.32Å; V385-I394 HydrophobicContact CG2-CG2 3.62Å; V385-L399 HydrophobicContact CG1-CD1 3.96Å |
| 386 | L | 95.8 | Very high | 93.6 | Very high | 44 Ų | 44 | 70 Ų | 70 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126 | 172.1 | -177.6 | 69.7 | 0 | 0 | 0 | 109.4 | C372 V373 G388 K390 K391 | C372-L386 CarbonylContact C-O 3.51Å; C372-L386 WeakPolarHBondContact CA-O 3.46Å; C372-L386 WeakPolarHBondContact CB-O 3.41Å; V373-L386 HydrophobicContact CG2-CB 3.98Å; V373-L386 HydrophobicContact CG2-CD2 4.37Å; V373-L386 PolarHBondContact N-O 3.01Å; V373-L386 PolarHBondContact O-N 3.45Å; L386-G388 WeakPolarHBondContact CD1-O 3.36Å; L386-K390 WeakPolarHBondContact CA-O 3.43Å; L386-K391 HydrophobicContact CD1-CB 3.89Å |
| 387 | S | 94.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 71.9 Ų | 71.9 | 3% | 0.028 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 90.9 | 174.6 | -170.3 | 0 | 0 | 0 | 0 | 108.6 | Q370 I371 K389 K390 | Q370-S387 PolarHBondContact NE2-OG 3.46Å; I371-S387 WeakPolarHBondContact O-CB 3.44Å; I371-S387 PolarHBondContact O-OG 3.09Å; S387-K389 PolarHBondContact O-N 2.76Å; S387-K390 PolarHBondContact N-O 2.79Å; S387-K390 PolarHBondContact O-N 3.2Å |
| 388 | G | 91.5 | Very high | 94 | Very high | 19 Ų | 19 | 63.8 Ų | 63.8 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | -128.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L386 K390 | L386-G388 WeakPolarHBondContact CD1-O 3.36Å; G388-K390 PolarHBondContact O-N 3.09Å |
| 389 | K | 90.1 | Very high | 94.2 | Very high | 223 Ų | 223 | 59 Ų | 59 | 97% | 0.97 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 15.3 | -177.7 | -54 | -170.2 | -179.1 | -172.1 | 0 | 115.1 | S387 | S387-K389 PolarHBondContact O-N 2.76Š|
| 390 | K | 93 | Very high | 94.5 | Very high | 117 Ų | 117 | 55.3 Ų | 55.3 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 119.8 | -178 | -60.5 | 172.4 | -173.7 | 165 | 0 | 110.6 | I364 L386 S387 G388 | I364-K390 HydrophobicContact CD1-CB 3.64Å; I364-K390 WeakPolarHBondContact CD1-O 3.32Å; L386-K390 WeakPolarHBondContact CA-O 3.43Å; S387-K390 PolarHBondContact N-O 2.79Å; S387-K390 PolarHBondContact O-N 3.2Å; G388-K390 PolarHBondContact O-N 3.09Å |
| 391 | K | 94.7 | Very high | 94.7 | Very high | 120 Ų | 120 | 53 Ų | 53 | 52% | 0.522 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 145.1 | 170.3 | -172.8 | 156.5 | 175.6 | 163.1 | 0 | 110.4 | E376 R384 V385 L386 | E376-K391 WeakPolarHBondContact OE1-CE 3.34Å; E376-K391 IonicContact OE1-NZ 2.69Å; E376-K391 PolarHBondContact OE1-NZ 3.13Å; R384-K391 HydrophobicContact CG-CG 4.26Å; V385-K391 VanDerWaalsContact O-CA 3.28Å; V385-K391 WeakPolarHBondContact O-CA 3.31Å; L386-K391 HydrophobicContact CD1-CB 3.89Å |
| 392 | G | 95.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.9 | 174.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G362 R384 V385 | G362-G392 CarbonylContact O-C 3.51Å; G362-G392 VanDerWaalsContact O-CA 3.25Å; G362-G392 WeakPolarHBondContact O-CA 3.19Å; R384-G392 WeakPolarHBondContact CA-O 3.24Å; V385-G392 PolarHBondContact N-O 2.64Å; V385-G392 PolarHBondContact O-N 3.1Å |
| 393 | L | 96.1 | Very high | 94.8 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 23% | 0.225 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 139.9 | 179.4 | -65.8 | 171.2 | 0 | 0 | 0 | 112.1 | G362 Q363 I364 F382 I383 R384 | G362-L393 PolarHBondContact O-N 3.16Å; Q363-L393 CarbonylContact C-O 3.52Å; Q363-L393 WeakPolarHBondContact CA-O 3.22Å; Q363-L393 WeakPolarHBondContact CB-O 3.35Å; Q363-L393 HydrophobicContact CG-CB 4.18Å; I364-L393 PolarHBondContact N-O 2.95Å; F382-L393 HydrophobicContact CB-CB 4.45Å; F382-L393 HydrophobicContact CB-CD2 4.41Å; F382-L393 HydrophobicContact CD1-CB 4.24Å; I383-L393 WeakPolarHBondContact O-CA 3.15Å; R384-L393 HydrophobicContact CB-CD2 3.89Å; R384-L393 HydrophobicContact CG-CD2 4.1Å |
| 394 | I | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 145.8 | 173.6 | -166.8 | 165.9 | 0 | 0 | 0 | 109.5 | F355 I364 L366 F382 I383 V385 V398 L399 | F355-I394 HydrophobicContact CB-CD1 4.25Å; F355-I394 HydrophobicContact CB-CG1 4.45Å; F355-I394 HydrophobicContact CD1-CD1 4.03Å; F355-I394 HydrophobicContact CD1-CG1 3.65Å; F355-I394 HydrophobicContact CE1-CG1 4.13Å; F355-I394 HydrophobicContact CG-CD1 4.43Å; F355-I394 HydrophobicContact CG-CG1 4.15Å; I364-I394 HydrophobicContact CG2-CB 3.87Å; I364-I394 HydrophobicContact CG2-CD1 4.38Å; L366-I394 HydrophobicContact CB-CD1 4Å; L366-I394 HydrophobicContact CD1-CD1 3.62Å; L366-I394 HydrophobicContact CG-CD1 3.86Å; F382-I394 CarbonylContact C-O 3.45Å; F382-I394 VanDerWaalsContact CA-O 3.29Å; F382-I394 WeakPolarHBondContact CA-O 3.48Å; I383-I394 HydrophobicContact CG2-CG2 4.01Å; I383-I394 PolarHBondContact N-O 3.49Å; I383-I394 PolarHBondContact O-N 3.34Å; V385-I394 HydrophobicContact CB-CG2 4.3Å; V385-I394 HydrophobicContact CG1-CG2 3.65Å; V385-I394 HydrophobicContact CG2-CB 4.32Å; V385-I394 HydrophobicContact CG2-CG2 3.62Å; I394-V398 HydrophobicContact CD1-CG2 3.52Å; I394-V398 HydrophobicContact CG1-CG2 3.41Å; I394-V398 VanDerWaalsContact CG1-CG2 3.41Å; I394-L399 HydrophobicContact CD1-CD2 4.2Å; I394-L399 HydrophobicContact CG2-CD1 3.72Å; I394-L399 HydrophobicContact CG2-CD2 4.37Å; I394-L399 HydrophobicContact CG2-CG 4.18Å |
| 395 | P | 95.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 57.6 Ų | 57.6 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 150.5 | 172.6 | -24.5 | 35 | 0 | 0 | 0 | 112.2 | F355 G381 F382 D397 V398 | F355-P395 HydrophobicContact CD2-CG 4.1Å; F355-P395 HydrophobicContact CE2-CG 3.66Å; F355-P395 VanDerWaalsContact CZ-CD 3.46Å; F355-P395 HydrophobicContact CZ-CG 3.93Å; G381-P395 WeakPolarHBondContact O-CA 3.32Å; F382-P395 HydrophobicContact CD1-CG 4.05Å; F382-P395 HydrophobicContact CE1-CG 3.64Å; F382-P395 HydrophobicContact CZ-CG 4.17Å; P395-D397 WeakPolarHBondContact CB-OD1 3.25Å; P395-V398 HydrophobicContact CB-CG1 4.46Å; P395-V398 WeakPolarHBondContact O-CG2 3.16Å |
| 396 | L | 94.6 | Very high | 94.6 | Very high | 44 Ų | 44 | 60.9 Ų | 60.9 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -75.5 | -24.5 | 171.7 | -87.2 | 157.2 | 0 | 0 | 0 | 113.2 | F349 E378 G381 I383 V398 L399 | F349-L396 HydrophobicContact CE1-CD2 4.24Å; F349-L396 HydrophobicContact CZ-CD2 4.5Å; E378-L396 HydrophobicContact CB-CD1 3.6Å; E378-L396 VanDerWaalsContact CD-CD1 3.46Å; E378-L396 HydrophobicContact CG-CD1 3.54Å; E378-L396 VanDerWaalsContact OE2-CD1 3.27Å; E378-L396 WeakPolarHBondContact OE2-CD1 3.39Å; G381-L396 PolarHBondContact O-N 3.48Å; I383-L396 HydrophobicContact CB-CD1 4.13Å; I383-L396 HydrophobicContact CB-CD2 4.27Å; I383-L396 HydrophobicContact CB-CG 4.01Å; I383-L396 HydrophobicContact CD1-CD2 4.31Å; I383-L396 HydrophobicContact CG2-CD1 4.38Å; I383-L396 HydrophobicContact CG2-CD2 3.77Å; I383-L396 HydrophobicContact CG2-CG 3.71Å; L396-V398 PolarHBondContact O-N 2.99Å; L396-L399 HydrophobicContact CD2-CD1 4.32Å; L396-L399 PolarHBondContact O-N 2.82Å |
| 397 | D | 94.4 | Very high | 94.5 | Very high | 105 Ų | 105 | 62 Ų | 62 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -70.3 | -0.4 | 176.7 | 88.5 | -59.1 | 0 | 0 | 0 | 114.5 | R353 P395 | R353-D397 IonicContact CZ-OD2 3.21Å; R353-D397 IonicContact NE-OD2 2.73Å; R353-D397 IonicContact NH2-OD1 2.82Å; R353-D397 IonicContact NH2-OD2 3.97Å; R353-D397 PolarHBondContact NH2-OD2 3.06Å; P395-D397 WeakPolarHBondContact CB-OD1 3.25Å |
| 398 | V | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -113.1 | 7.9 | 170.9 | -46.4 | 0 | 0 | 0 | 0 | 113.1 | C351 V352 R353 F355 I394 P395 L396 | C351-V398 CarbonylContact C-O 3.52Å; C351-V398 VanDerWaalsContact CA-O 3.26Å; C351-V398 WeakPolarHBondContact CA-O 3.49Å; C351-V398 PolarHBondContact SG-O 3.08Å; C351-V398 VanDerWaalsContact SG-O 3.36Å; V352-V398 PolarHBondContact N-O 3.03Å; R353-V398 HydrophobicContact CG-CB 3.91Å; R353-V398 HydrophobicContact CG-CG1 3.78Å; F355-V398 HydrophobicContact CB-CB 4.47Å; F355-V398 HydrophobicContact CB-CG1 4.36Å; F355-V398 HydrophobicContact CB-CG2 3.96Å; F355-V398 HydrophobicContact CD2-CG1 4.49Å; F355-V398 HydrophobicContact CG-CG2 4.36Å; I394-V398 HydrophobicContact CD1-CG2 3.52Å; I394-V398 HydrophobicContact CG1-CG2 3.41Å; I394-V398 VanDerWaalsContact CG1-CG2 3.41Å; P395-V398 HydrophobicContact CB-CG1 4.46Å; P395-V398 WeakPolarHBondContact O-CG2 3.16Å; L396-V398 PolarHBondContact O-N 2.99Å |
| 399 | L | 96.4 | Very high | 94.7 | Very high | 20 Ų | 20 | 69.2 Ų | 69.2 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 150.3 | -179.9 | -63.6 | -175.2 | 0 | 0 | 0 | 111.9 | F349 R350 C351 I383 V385 I394 L396 | F349-L399 HydrophobicContact CB-CB 4.18Å; F349-L399 HydrophobicContact CB-CD1 4.02Å; F349-L399 HydrophobicContact CB-CD2 4.05Å; F349-L399 HydrophobicContact CB-CG 4.32Å; F349-L399 HydrophobicContact CD1-CB 3.92Å; F349-L399 HydrophobicContact CD1-CD1 4.11Å; F349-L399 HydrophobicContact CD2-CD1 4.32Å; F349-L399 HydrophobicContact CG-CB 4.3Å; F349-L399 HydrophobicContact CG-CD1 3.91Å; R350-L399 WeakPolarHBondContact O-CA 3.11Å; C351-L399 HydrophobicContact CB-CD2 4.17Å; I383-L399 HydrophobicContact CG2-CD1 3.53Å; V385-L399 HydrophobicContact CG1-CD1 3.96Å; I394-L399 HydrophobicContact CD1-CD2 4.2Å; I394-L399 HydrophobicContact CG2-CD1 3.72Å; I394-L399 HydrophobicContact CG2-CD2 4.37Å; I394-L399 HydrophobicContact CG2-CG 4.18Å; L396-L399 HydrophobicContact CD2-CD1 4.32Å; L396-L399 PolarHBondContact O-N 2.82Å |
| 400 | E | 96.4 | Very high | 95 | Very high | 76 Ų | 76 | 57.4 Ų | 57.4 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 129.6 | 173.8 | 170.2 | -170.5 | -155.4 | 0 | 0 | 107 | F349 R350 V352 I402 | F349-E400 CarbonylContact C-O 3.59Å; F349-E400 VanDerWaalsContact CA-O 3.24Å; F349-E400 WeakPolarHBondContact CA-O 3.38Å; R350-E400 IonicContact CZ-OE1 3.48Å; R350-E400 IonicContact CZ-OE2 2.71Å; R350-E400 PolarHBondContact N-O 2.87Å; R350-E400 IonicContact NE-OE2 3.68Å; R350-E400 PolarHBondContact NE-OE2 3.45Å; R350-E400 IonicContact NH2-OE1 3.32Å; R350-E400 PolarHBondContact NH2-OE1 2.82Å; R350-E400 IonicContact NH2-OE2 2.96Å; R350-E400 PolarHBondContact NH2-OE2 3.1Å; R350-E400 PolarHBondContact O-N 3.37Å; V352-E400 HydrophobicContact CG1-CB 3.4Å; V352-E400 HydrophobicContact CG1-CG 4.35Å; V352-E400 WeakPolarHBondContact CG1-OE2 3.49Å; E400-I402 HydrophobicContact CG-CG2 4.38Å |
| 401 | N | 94.4 | Very high | 95.2 | Very high | 105 Ų | 105 | 52.4 Ų | 52.4 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 134.5 | 177.2 | -171 | 59.7 | 0 | 0 | 0 | 109.1 | I348 F349 | I348-N401 WeakPolarHBondContact O-CA 3.37Å; I348-N401 PolarHBondContact O-OD1 3.46Å; F349-N401 HydrophobicContact CD1-CB 4.19Å; F349-N401 HydrophobicContact CE1-CB 4.07Å |
| 402 | I | 91.3 | Very high | 95.2 | Very high | 98 Ų | 98 | 46.3 Ų | 46.3 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | trans | -128.2 | 0 | -174.8 | 60.9 | 165.3 | 0 | 0 | 0 | 112.9 | I348 R350 I371 E400 | I348-I402 HydrophobicContact CB-CG1 4.03Å; I348-I402 HydrophobicContact CG2-CD1 3.78Å; I348-I402 HydrophobicContact CG2-CG1 3.61Å; I348-I402 PolarHBondContact O-N 2.72Å; I348-I402 VanDerWaalsContact O-N 3.07Å; R350-I402 HydrophobicContact CB-CD1 4.32Å; R350-I402 HydrophobicContact CB-CG2 3.85Å; I371-I402 HydrophobicContact CD1-CD1 3.88Å; E400-I402 HydrophobicContact CG-CG2 4.38Å |
Retrieved 402 of 402 residues in 97.5 ms
(Link to these results)