| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.3 | Very low | 52.4 | Low | 240 Ų | 240 | 129.5 Ų | 129.5 | 100% | 1.182 | 65% | 0.654 | S | S | * | * | 0 | 106.4 | 0 | -69.7 | 171.3 | 178.6 | 0 | 0 | 105.5 | |||||
| 2 | L | 39.1 | Very low | 54.1 | Low | 164 Ų | 164 | 125.6 Ų | 125.6 | 86% | 0.859 | 64% | 0.636 | S | S | * | * | trans | -83.1 | 125.9 | 177.8 | -132.2 | 81.9 | 0 | 0 | 0 | 107.4 | P4 | L2-P4 WeakPolarHBondContact O-CD 3.46Š| ||
| 3 | N | 45 | Very low | 55.8 | Low | 102 Ų | 102 | 122.2 Ų | 122.2 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | trans | -68.7 | 122.5 | -179.4 | -78.4 | -25.2 | 0 | 0 | 0 | 109.4 | N5 E6 | N3-N5 PolarHBondContact O-N 3.22Å; N3-E6 HydrophobicContact CB-CG 4.41Å; N3-E6 PolarHBondContact O-N 3.03Å | ||
| 4 | P | 43.6 | Very low | 57.5 | Low | 108 Ų | 108 | 116.1 Ų | 116.1 | 70% | 0.701 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -3.6 | -175.8 | 25.4 | -32.5 | 0 | 0 | 0 | 114.6 | L2 | L2-P4 WeakPolarHBondContact O-CD 3.46Š|
| 5 | N | 51.2 | Low | 58.9 | Low | 154 Ų | 154 | 112.2 Ų | 112.2 | 82% | 0.824 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 1.2 | 177.8 | -83.3 | 11 | 0 | 0 | 0 | 114.2 | N3 D7 | N3-N5 PolarHBondContact O-N 3.22Å; N5-D7 PolarHBondContact O-N 3.11Å |
| 6 | E | 46.5 | Very low | 59.8 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 54% | 0.542 | 58% | 0.579 | S | S | . | * | trans | -75.1 | 100.7 | 169.8 | -79.6 | 179.2 | -178 | 0 | 0 | 108.9 | N3 T8 N11 | N3-E6 HydrophobicContact CB-CG 4.41Å; N3-E6 PolarHBondContact O-N 3.03Å; E6-T8 PolarHBondContact O-N 3.45Å; E6-N11 PolarHBondContact O-ND2 3.06Å; E6-N11 VanDerWaalsContact O-ND2 3.11Å | ||
| 7 | D | 52 | Low | 60.8 | Low | 88 Ų | 88 | 118.2 Ų | 118.2 | 47% | 0.471 | 59% | 0.585 | S | S | . | * | trans | -64.4 | 84.2 | 171.4 | -99.6 | -15.3 | 0 | 0 | 0 | 108.6 | N5 R15 K23 | N5-D7 PolarHBondContact O-N 3.11Å; D7-R15 IonicContact OD1-NH2 2.97Å; D7-R15 PolarHBondContact OD1-NH2 3.41Å; D7-K23 IonicContact OD1-NZ 2.95Å; D7-K23 IonicContact OD2-NZ 3.4Å; D7-K23 PolarHBondContact OD2-NZ 2.73Å | ||
| 8 | T | 56 | Low | 61.4 | Low | 66 Ų | 66 | 115.1 Ų | 115.1 | 41% | 0.405 | 59% | 0.588 | S | S | . | * | trans | -94.7 | 148.8 | 168 | 52.2 | 0 | 0 | 0 | 0 | 108.5 | E6 W10 N11 | E6-T8 PolarHBondContact O-N 3.45Å; T8-W10 PolarHBondContact O-N 3.5Å; T8-N11 PolarHBondContact O-N 2.84Å | ||
| 9 | E | 66.8 | Low | 62.4 | Low | 169 Ų | 169 | 115.2 Ų | 115.2 | 79% | 0.79 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -50 | -26.6 | 176.4 | -67.1 | -169.6 | 152.6 | 0 | 0 | 112.6 | I13 | E9-I13 VanDerWaalsContact O-CG1 3.32Å; E9-I13 WeakPolarHBondContact O-CG1 3.43Å; E9-I13 PolarHBondContact O-N 3.29Å |
| 10 | W | 66.6 | Low | 63 | Low | 184 Ų | 184 | 112.3 Ų | 112.3 | 70% | 0.697 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62 | -42.3 | 173.7 | -105.8 | 87.9 | 0 | 0 | 0 | 114.2 | T8 D12 I13 L14 | T8-W10 PolarHBondContact O-N 3.5Å; W10-D12 VanDerWaalsContact C-N 3.33Å; W10-D12 PolarHBondContact O-N 2.97Å; W10-I13 PolarHBondContact O-N 3.11Å; W10-L14 HydrophobicContact CE3-CD1 4.19Å; W10-L14 HydrophobicContact CE3-CG 4.32Å; W10-L14 HydrophobicContact CZ3-CD2 4.49Å; W10-L14 VanDerWaalsContact O-CG 3.3Å; W10-L14 WeakPolarHBondContact O-CG 3.38Å; W10-L14 PolarHBondContact O-N 2.85Å; W10-L14 VanDerWaalsContact O-N 3.11Å |
| 11 | N | 70 | Confident | 63.2 | Low | 33 Ų | 33 | 111.7 Ų | 111.7 | 18% | 0.176 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -68.3 | -35.1 | -179.2 | -80.6 | -10 | 0 | 0 | 0 | 111.6 | E6 T8 L14 R15 | E6-N11 PolarHBondContact O-ND2 3.06Å; E6-N11 VanDerWaalsContact O-ND2 3.11Å; T8-N11 PolarHBondContact O-N 2.84Å; N11-L14 PolarHBondContact O-N 2.9Å; N11-R15 WeakPolarHBondContact O-CG 3.37Å; N11-R15 PolarHBondContact O-N 3.28Å |
| 12 | D | 73.1 | Confident | 64.5 | Low | 83 Ų | 83 | 106 Ų | 106 | 44% | 0.444 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.9 | -38.1 | 177.4 | -73.7 | -18.6 | 0 | 0 | 0 | 112.3 | W10 L14 R15 Q16 | W10-D12 VanDerWaalsContact C-N 3.33Å; W10-D12 PolarHBondContact O-N 2.97Å; D12-L14 VanDerWaalsContact C-N 3.28Å; D12-L14 PolarHBondContact O-N 3.42Å; D12-R15 PolarHBondContact O-N 3.02Å; D12-R15 IonicContact OD1-NE 3.95Å; D12-R15 PolarHBondContact OD1-NE 3.19Å; D12-Q16 WeakPolarHBondContact O-CB 3.3Å; D12-Q16 PolarHBondContact O-N 3.47Å |
| 13 | I | 76.3 | Confident | 65.6 | Low | 81 Ų | 81 | 103.7 Ų | 103.7 | 42% | 0.415 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 171.6 | -65.1 | 165.1 | 0 | 0 | 0 | 110.6 | E9 W10 Q16 K17 | E9-I13 VanDerWaalsContact O-CG1 3.32Å; E9-I13 WeakPolarHBondContact O-CG1 3.43Å; E9-I13 PolarHBondContact O-N 3.29Å; W10-I13 PolarHBondContact O-N 3.11Å; I13-Q16 PolarHBondContact O-N 2.93Å; I13-K17 WeakPolarHBondContact O-CB 3.32Å; I13-K17 PolarHBondContact O-N 2.91Å |
| 14 | L | 79.4 | Confident | 65.9 | Low | 38 Ų | 38 | 107.8 Ų | 107.8 | 20% | 0.199 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -69.5 | -36.5 | 177.3 | -68.7 | 172.2 | 0 | 0 | 0 | 112.8 | W10 N11 D12 G18 I19 L20 | W10-L14 HydrophobicContact CE3-CD1 4.19Å; W10-L14 HydrophobicContact CE3-CG 4.32Å; W10-L14 HydrophobicContact CZ3-CD2 4.49Å; W10-L14 VanDerWaalsContact O-CG 3.3Å; W10-L14 WeakPolarHBondContact O-CG 3.38Å; W10-L14 PolarHBondContact O-N 2.85Å; W10-L14 VanDerWaalsContact O-N 3.11Å; N11-L14 PolarHBondContact O-N 2.9Å; D12-L14 VanDerWaalsContact C-N 3.28Å; D12-L14 PolarHBondContact O-N 3.42Å; L14-G18 PolarHBondContact O-N 3.28Å; L14-I19 HydrophobicContact CD2-CB 4.35Å; L14-I19 HydrophobicContact CD2-CD1 3.76Å; L14-I19 HydrophobicContact CD2-CG2 4.41Å; L14-I19 PolarHBondContact O-N 3.43Å; L14-L20 HydrophobicContact CB-CD1 3.54Å; L14-L20 HydrophobicContact CD1-CD1 3.73Å; L14-L20 HydrophobicContact CG-CD1 4.26Å; L14-L20 PolarHBondContact O-N 2.83Å |
| 15 | R | 79.6 | Confident | 66.1 | Low | 57 Ų | 57 | 109.9 Ų | 109.9 | 22% | 0.215 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -65.7 | -43.2 | 171.2 | -71.7 | -175.5 | -125.1 | -93.2 | 7.5 | 111.2 | D7 N11 D12 K17 G18 L20 | D7-R15 IonicContact OD1-NH2 2.97Å; D7-R15 PolarHBondContact OD1-NH2 3.41Å; N11-R15 WeakPolarHBondContact O-CG 3.37Å; N11-R15 PolarHBondContact O-N 3.28Å; D12-R15 PolarHBondContact O-N 3.02Å; D12-R15 IonicContact OD1-NE 3.95Å; D12-R15 PolarHBondContact OD1-NE 3.19Å; R15-K17 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 3.37Å; R15-G18 PolarHBondContact O-N 3.3Å; R15-L20 HydrophobicContact CG-CB 3.86Å |
| 16 | Q | 72.9 | Confident | 65.6 | Low | 170 Ų | 170 | 110.4 Ų | 110.4 | 79% | 0.794 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.5 | -36.9 | 177.8 | -169.5 | -177.9 | 42.6 | 0 | 0 | 112.2 | D12 I13 G18 | D12-Q16 WeakPolarHBondContact O-CB 3.3Å; D12-Q16 PolarHBondContact O-N 3.47Å; I13-Q16 PolarHBondContact O-N 2.93Å; Q16-G18 PolarHBondContact O-N 3.41Å |
| 17 | K | 76.9 | Confident | 65.4 | Low | 156 Ų | 156 | 110.3 Ų | 110.3 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -2.3 | 172.9 | -78.3 | -171.1 | 172 | -178.8 | 0 | 114.1 | I13 R15 I19 | I13-K17 WeakPolarHBondContact O-CB 3.32Å; I13-K17 PolarHBondContact O-N 2.91Å; R15-K17 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 3.37Å; K17-I19 VanDerWaalsContact C-N 3.29Å; K17-I19 HydrophobicContact CB-CD1 4.19Å; K17-I19 HydrophobicContact CB-CG1 4.28Å; K17-I19 PolarHBondContact O-N 3.21Å |
| 18 | G | 71.3 | Confident | 65.2 | Low | 63 Ų | 63 | 114.8 Ų | 114.8 | 65% | 0.649 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.5 | 16.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L14 R15 Q16 | L14-G18 PolarHBondContact O-N 3.28Å; R15-G18 PolarHBondContact O-N 3.3Å; Q16-G18 PolarHBondContact O-N 3.41Å |
| 19 | I | 80 | Confident | 64.6 | Low | 117 Ų | 117 | 119.9 Ų | 119.9 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -81.5 | -40.5 | 178.3 | -62.1 | 169.5 | 0 | 0 | 0 | 110.3 | L14 K17 | L14-I19 HydrophobicContact CD2-CB 4.35Å; L14-I19 HydrophobicContact CD2-CD1 3.76Å; L14-I19 HydrophobicContact CD2-CG2 4.41Å; L14-I19 PolarHBondContact O-N 3.43Å; K17-I19 VanDerWaalsContact C-N 3.29Å; K17-I19 HydrophobicContact CB-CD1 4.19Å; K17-I19 HydrophobicContact CB-CG1 4.28Å; K17-I19 PolarHBondContact O-N 3.21Å |
| 20 | L | 74.4 | Confident | 63.7 | Low | 57 Ų | 57 | 120.7 Ų | 120.7 | 30% | 0.298 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -94.5 | 145.7 | 170 | -96.7 | 103.3 | 0 | 0 | 0 | 110.9 | L14 R15 | L14-L20 HydrophobicContact CB-CD1 3.54Å; L14-L20 HydrophobicContact CD1-CD1 3.73Å; L14-L20 HydrophobicContact CG-CD1 4.26Å; L14-L20 PolarHBondContact O-N 2.83Å; R15-L20 HydrophobicContact CG-CB 3.86Å |
| 21 | P | 67.8 | Low | 62.6 | Low | 99 Ų | 99 | 119 Ų | 119 | 64% | 0.643 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -59 | 146 | 172.4 | 24.5 | -32.3 | 0 | 0 | 0 | 110.9 | K23 | P21-K23 PolarHBondContact O-N 2.89Š|
| 22 | P | 66.4 | Low | 61.5 | Low | 121 Ų | 121 | 122.5 Ų | 122.5 | 79% | 0.786 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 136.1 | 178.7 | 22.6 | -31.5 | 0 | 0 | 0 | 109.9 | K24 | P22-K24 PolarHBondContact O-N 3.45Š|
| 23 | K | 61.9 | Low | 60.4 | Low | 115 Ų | 115 | 123.8 Ų | 123.8 | 50% | 0.5 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 124.8 | 179.6 | -170.8 | 171.9 | -179.9 | 175.7 | 0 | 107.4 | D7 P21 I25 | D7-K23 IonicContact OD1-NZ 2.95Å; D7-K23 IonicContact OD2-NZ 3.4Å; D7-K23 PolarHBondContact OD2-NZ 2.73Å; P21-K23 PolarHBondContact O-N 2.89Å; K23-I25 VanDerWaalsContact C-N 3.35Å; K23-I25 PolarHBondContact O-N 3.4Å |
| 24 | K | 51.5 | Low | 59.2 | Low | 188 Ų | 188 | 125.2 Ų | 125.2 | 82% | 0.817 | 66% | 0.662 | S | S | * | * | trans | -59.4 | 105.6 | 167.8 | -125 | 178.2 | -178.5 | -175.7 | 0 | 104.9 | P22 E26 | P22-K24 PolarHBondContact O-N 3.45Å; K24-E26 PolarHBondContact O-N 2.94Å | ||
| 25 | I | 48.5 | Very low | 58 | Low | 153 Ų | 153 | 127.6 Ų | 127.6 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -66.7 | 93.9 | 165 | -59.5 | 156.8 | 0 | 0 | 0 | 102.4 | K23 | K23-I25 VanDerWaalsContact C-N 3.35Å; K23-I25 PolarHBondContact O-N 3.4Å | ||
| 26 | E | 39.9 | Very low | 57.3 | Low | 165 Ų | 165 | 131 Ų | 131 | 77% | 0.771 | 70% | 0.702 | S | S | * | * | trans | -54.2 | 122.3 | 159.3 | -70.6 | -175.6 | 164.4 | 0 | 0 | 104.2 | K24 E28 | K24-E26 PolarHBondContact O-N 2.94Å; E26-E28 VanDerWaalsContact C-N 3.35Å; E26-E28 PolarHBondContact O-N 2.72Å | ||
| 27 | P | 43.1 | Very low | 57.1 | Low | 113 Ų | 113 | 125.3 Ų | 125.3 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | -55.1 | 110.8 | -178.3 | 22.4 | -30.5 | 0 | 0 | 0 | 105.1 | E29 | P27-E29 VanDerWaalsContact C-N 3.32Å; P27-E29 PolarHBondContact O-N 2.92Å | ||
| 28 | E | 46.7 | Very low | 56.9 | Low | 182 Ų | 182 | 123.2 Ų | 123.2 | 85% | 0.85 | 67% | 0.672 | S | S | * | * | trans | -49.3 | 109.3 | 170.5 | -165 | 156.4 | -161.9 | 0 | 0 | 103.4 | E26 E30 | E26-E28 VanDerWaalsContact C-N 3.35Å; E26-E28 PolarHBondContact O-N 2.72Å; E28-E30 PolarHBondContact O-N 2.8Å | ||
| 29 | E | 44.6 | Very low | 57 | Low | 174 Ų | 174 | 122.1 Ų | 122.1 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | trans | -53.2 | 104 | 177.6 | -76.6 | -172.3 | 151.2 | 0 | 0 | 103.9 | P27 L31 | P27-E29 VanDerWaalsContact C-N 3.32Å; P27-E29 PolarHBondContact O-N 2.92Å; E29-L31 PolarHBondContact O-N 2.84Å | ||
| 30 | E | 46.9 | Very low | 56.9 | Low | 185 Ų | 185 | 120.2 Ų | 120.2 | 86% | 0.864 | 65% | 0.645 | S | S | * | * | trans | -64 | 93.5 | -176.6 | -168.4 | 176.7 | -161.4 | 0 | 0 | 104 | E28 P32 | E28-E30 PolarHBondContact O-N 2.8Å; E30-P32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | L | 43.2 | Very low | 57.2 | Low | 149 Ų | 149 | 117.8 Ų | 117.8 | 78% | 0.78 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 126.1 | 178.3 | -76.2 | 169.1 | 0 | 0 | 0 | 104.8 | E29 | E29-L31 PolarHBondContact O-N 2.84Š|
| 32 | P | 48.2 | Very low | 57.7 | Low | 106 Ų | 106 | 118.5 Ų | 118.5 | 69% | 0.688 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 136.9 | -177.5 | 21.4 | -32.5 | 0 | 0 | 0 | 107.6 | E30 | E30-P32 VanDerWaalsContact O-N 3.11Š|
| 33 | P | 48.9 | Very low | 58.6 | Low | 110 Ų | 110 | 120.9 Ų | 120.9 | 71% | 0.714 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 134.4 | -174.5 | 20.4 | -32.5 | 0 | 0 | 0 | 108.2 | ||
| 34 | P | 50.4 | Low | 59.7 | Low | 112 Ų | 112 | 117.5 Ų | 117.5 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 133.9 | -179.4 | 21.1 | -31.6 | 0 | 0 | 0 | 107.7 | D36 | P34-D36 PolarHBondContact O-N 2.69Š|
| 35 | P | 54.3 | Low | 61.3 | Low | 87 Ų | 87 | 112.1 Ų | 112.1 | 57% | 0.565 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -53 | 132.7 | -174.7 | 17.6 | -28.5 | 0 | 0 | 0 | 109 | S37 I40 | P35-S37 PolarHBondContact O-N 2.82Å; P35-I40 HydrophobicContact CB-CD1 4.39Å; P35-I40 HydrophobicContact CB-CG1 4.2Å; P35-I40 HydrophobicContact CG-CD1 3.97Å; P35-I40 HydrophobicContact CG-CG1 4.21Å |
| 36 | D | 66.4 | Low | 62.9 | Low | 128 Ų | 128 | 108.1 Ų | 108.1 | 68% | 0.684 | 58% | 0.584 | S | S | * | * | trans | -44.2 | 119.5 | 175.7 | -92.4 | -28.8 | 0 | 0 | 0 | 107.6 | P34 K38 S39 I40 | P34-D36 PolarHBondContact O-N 2.69Å; D36-K38 CarbonylContact O-C 3.59Å; D36-K38 PolarHBondContact O-N 2.82Å; D36-S39 WeakPolarHBondContact O-CA 3.34Å; D36-S39 WeakPolarHBondContact O-CB 3.35Å; D36-S39 PolarHBondContact O-N 2.88Å; D36-S39 PolarHBondContact O-OG 3.23Å; D36-I40 PolarHBondContact O-N 3.44Å | ||
| 37 | S | 68.3 | Low | 65.1 | Low | 52 Ų | 52 | 105.9 Ų | 105.9 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -53.2 | -25.3 | -175.8 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | P35 I40 L41 F68 | P35-S37 PolarHBondContact O-N 2.82Å; S37-I40 PolarHBondContact O-N 3Å; S37-L41 PolarHBondContact O-N 3.37Å; S37-F68 VanDerWaalsContact C-CE1 3.4Å; S37-F68 WeakPolarHBondContact O-CE1 3.44Å; S37-F68 VanDerWaalsContact OG-CD2 3.3Å; S37-F68 WeakPolarHBondContact OG-CD2 3.41Å; S37-F68 VanDerWaalsContact OG-CE1 3.29Å; S37-F68 WeakPolarHBondContact OG-CE1 3.44Å; S37-F68 WeakPolarHBondContact OG-CE2 3.23Å; S37-F68 WeakPolarHBondContact OG-CZ 3.19Å |
| 38 | K | 71.3 | Confident | 67.2 | Low | 111 Ų | 111 | 104.6 Ų | 104.6 | 48% | 0.483 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.1 | -46.8 | 171.1 | -61.6 | 176.1 | -174.2 | 162.5 | 0 | 112.9 | D36 I40 L41 D42 F68 | D36-K38 CarbonylContact O-C 3.59Å; D36-K38 PolarHBondContact O-N 2.82Å; K38-I40 PolarHBondContact O-N 3.2Å; K38-L41 PolarHBondContact O-N 3.26Å; K38-D42 PolarHBondContact O-N 3.4Å; K38-F68 HydrophobicContact CB-CZ 4.12Å; K38-F68 HydrophobicContact CD-CE2 4.48Å; K38-F68 HydrophobicContact CG-CE2 3.49Å; K38-F68 VanDerWaalsContact CG-CE2 3.49Å; K38-F68 HydrophobicContact CG-CZ 3.46Å; K38-F68 VanDerWaalsContact CG-CZ 3.46Å |
| 39 | S | 74.3 | Confident | 69.1 | Low | 40 Ų | 40 | 96.2 Ų | 96.2 | 28% | 0.28 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -24.8 | 179.5 | 78.7 | 0 | 0 | 0 | 0 | 112.7 | D36 K43 | D36-S39 WeakPolarHBondContact O-CA 3.34Å; D36-S39 WeakPolarHBondContact O-CB 3.35Å; D36-S39 PolarHBondContact O-N 2.88Å; D36-S39 PolarHBondContact O-OG 3.23Å; S39-K43 WeakPolarHBondContact O-CD 3.43Å; S39-K43 VanDerWaalsContact O-CG 3.25Å; S39-K43 WeakPolarHBondContact O-CG 3.25Å |
| 40 | I | 77.8 | Confident | 71.1 | Confident | 77 Ų | 77 | 91.3 Ų | 91.3 | 40% | 0.395 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73 | -50.9 | 174.5 | -52.5 | 175.4 | 0 | 0 | 0 | 109 | P35 D36 S37 K38 D42 K43 L44 | P35-I40 HydrophobicContact CB-CD1 4.39Å; P35-I40 HydrophobicContact CB-CG1 4.2Å; P35-I40 HydrophobicContact CG-CD1 3.97Å; P35-I40 HydrophobicContact CG-CG1 4.21Å; D36-I40 PolarHBondContact O-N 3.44Å; S37-I40 PolarHBondContact O-N 3Å; K38-I40 PolarHBondContact O-N 3.2Å; I40-D42 VanDerWaalsContact C-N 3.32Å; I40-D42 PolarHBondContact O-N 3.24Å; I40-K43 PolarHBondContact O-N 3.38Å; I40-K43 VanDerWaalsContact O-N 3.1Å; I40-L44 PolarHBondContact O-N 3.1Å |
| 41 | L | 80.1 | Confident | 73.1 | Confident | 7 Ų | 7 | 88.5 Ų | 88.5 | 4% | 0.037 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64 | -33.3 | -179.5 | -66.2 | -178 | 0 | 0 | 0 | 113.4 | S37 K38 K43 L44 L49 K52 F68 L69 Y72 | S37-L41 PolarHBondContact O-N 3.37Å; K38-L41 PolarHBondContact O-N 3.26Å; L41-K43 PolarHBondContact O-N 3.06Å; L41-L44 HydrophobicContact CD2-CD1 3.69Å; L41-L44 PolarHBondContact O-N 2.85Å; L41-L49 HydrophobicContact CD2-CD1 4.05Å; L41-K52 HydrophobicContact CD2-CD 3.93Å; L41-F68 HydrophobicContact CD1-CD1 4.07Å; L41-F68 HydrophobicContact CD1-CE1 3.3Å; L41-F68 HydrophobicContact CD1-CZ 3.98Å; L41-F68 HydrophobicContact CG-CE1 3.95Å; L41-L69 HydrophobicContact CD1-CD1 3.83Å; L41-L69 HydrophobicContact CD2-CD1 4.12Å; L41-Y72 HydrophobicContact CB-CD1 4.2Å; L41-Y72 HydrophobicContact CB-CD2 4.29Å; L41-Y72 HydrophobicContact CB-CE1 3.86Å; L41-Y72 HydrophobicContact CB-CE2 3.98Å; L41-Y72 HydrophobicContact CB-CG 4.39Å; L41-Y72 HydrophobicContact CD1-CD1 3.5Å; L41-Y72 VanDerWaalsContact CD1-CD1 3.5Å; L41-Y72 HydrophobicContact CD1-CD2 3.96Å; L41-Y72 HydrophobicContact CD1-CE1 4.04Å; L41-Y72 HydrophobicContact CD1-CE2 4.47Å; L41-Y72 HydrophobicContact CD1-CG 3.44Å; L41-Y72 VanDerWaalsContact CD1-CG 3.44Å; L41-Y72 HydrophobicContact CG-CD1 4.43Å |
| 42 | D | 79.4 | Confident | 75.2 | Confident | 114 Ų | 114 | 84.1 Ų | 84.1 | 61% | 0.61 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -18.1 | 176.2 | -73.9 | -25.2 | 0 | 0 | 0 | 113.2 | K38 I40 Y72 | K38-D42 PolarHBondContact O-N 3.4Å; I40-D42 VanDerWaalsContact C-N 3.32Å; I40-D42 PolarHBondContact O-N 3.24Å; D42-Y72 PolarHBondContact OD1-OH 3.06Å |
| 43 | K | 84.5 | Confident | 77.2 | Confident | 170 Ų | 170 | 79.8 Ų | 79.8 | 74% | 0.739 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -15.4 | -179.8 | -69.6 | 174.5 | -173.4 | -175.9 | 0 | 113.7 | S39 I40 L41 | S39-K43 WeakPolarHBondContact O-CD 3.43Å; S39-K43 VanDerWaalsContact O-CG 3.25Å; S39-K43 WeakPolarHBondContact O-CG 3.25Å; I40-K43 PolarHBondContact O-N 3.38Å; I40-K43 VanDerWaalsContact O-N 3.1Å; L41-K43 PolarHBondContact O-N 3.06Å |
| 44 | L | 85.1 | Confident | 79.1 | Confident | 44 Ų | 44 | 79 Ų | 79 | 23% | 0.23 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -65.4 | 147.3 | 176.9 | -65.4 | 179.1 | 0 | 0 | 0 | 110.2 | I40 L41 E48 L49 K52 | I40-L44 PolarHBondContact O-N 3.1Å; L41-L44 HydrophobicContact CD2-CD1 3.69Å; L41-L44 PolarHBondContact O-N 2.85Å; L44-E48 HydrophobicContact CB-CB 4.13Å; L44-E48 HydrophobicContact CD2-CB 4.15Å; L44-L49 HydrophobicContact CB-CB 4.34Å; L44-L49 HydrophobicContact CD1-CD1 4.44Å; L44-K52 HydrophobicContact CD1-CD 3.95Å |
| 45 | T | 85.2 | Confident | 81 | Confident | 76 Ų | 76 | 76.8 Ų | 76.8 | 47% | 0.466 | 41% | 0.406 | S | S | . | . | trans | -66.2 | 168.2 | 167.9 | 62.7 | 0 | 0 | 0 | 0 | 110.9 | D47 E48 L49 | T45-D47 VanDerWaalsContact C-N 3.27Å; T45-D47 PolarHBondContact O-N 3.41Å; T45-E48 WeakPolarHBondContact CB-OE2 3.49Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.15Å; T45-E48 PolarHBondContact N-OE2 3.2Å; T45-E48 WeakPolarHBondContact OG1-CB 3.32Å; T45-E48 VanDerWaalsContact OG1-CG 3.23Å; T45-E48 WeakPolarHBondContact OG1-CG 3.46Å; T45-E48 PolarHBondContact OG1-N 2.66Å; T45-E48 PolarHBondContact OG1-OE2 2.96Å; T45-L49 WeakPolarHBondContact O-CB 3.22Å; T45-L49 PolarHBondContact O-N 3.43Å; T45-L49 VanDerWaalsContact O-N 3.13Å | ||
| 46 | S | 82.5 | Confident | 82.6 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 176.1 | -161.6 | 0 | 0 | 0 | 0 | 111.2 | L49 D50 | S46-L49 PolarHBondContact O-N 3.33Å; S46-D50 WeakPolarHBondContact O-CB 3.49Å; S46-D50 VanDerWaalsContact O-CG 3.22Å; S46-D50 PolarHBondContact O-N 3.18Å |
| 47 | D | 85.5 | Confident | 83.6 | Confident | 119 Ų | 119 | 74.8 Ų | 74.8 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.7 | -46.4 | -175.3 | -56.1 | -17.9 | 0 | 0 | 0 | 111.2 | T45 L49 D50 E51 | T45-D47 VanDerWaalsContact C-N 3.27Å; T45-D47 PolarHBondContact O-N 3.41Å; D47-L49 VanDerWaalsContact C-N 3.27Å; D47-L49 PolarHBondContact O-N 3.35Å; D47-D50 PolarHBondContact O-N 2.93Å; D47-E51 WeakPolarHBondContact O-CG 3.33Å; D47-E51 PolarHBondContact O-N 3.31Å |
| 48 | E | 87.6 | Confident | 84.7 | Confident | 86 Ų | 86 | 78 Ų | 78 | 40% | 0.402 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.8 | -34 | 176.5 | -70.1 | 168.4 | 133.1 | 0 | 0 | 112.8 | L44 T45 K52 | L44-E48 HydrophobicContact CB-CB 4.13Å; L44-E48 HydrophobicContact CD2-CB 4.15Å; T45-E48 WeakPolarHBondContact CB-OE2 3.49Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.15Å; T45-E48 PolarHBondContact N-OE2 3.2Å; T45-E48 WeakPolarHBondContact OG1-CB 3.32Å; T45-E48 VanDerWaalsContact OG1-CG 3.23Å; T45-E48 WeakPolarHBondContact OG1-CG 3.46Å; T45-E48 PolarHBondContact OG1-N 2.66Å; T45-E48 PolarHBondContact OG1-OE2 2.96Å; E48-K52 PolarHBondContact O-N 3.13Å |
| 49 | L | 86.5 | Confident | 85.3 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.026 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -73.4 | -36.8 | 177.8 | -177.3 | 62.2 | 0 | 0 | 0 | 111.4 | L41 L44 T45 S46 D47 K52 F53 Y72 | L41-L49 HydrophobicContact CD2-CD1 4.05Å; L44-L49 HydrophobicContact CB-CB 4.34Å; L44-L49 HydrophobicContact CD1-CD1 4.44Å; T45-L49 WeakPolarHBondContact O-CB 3.22Å; T45-L49 PolarHBondContact O-N 3.43Å; T45-L49 VanDerWaalsContact O-N 3.13Å; S46-L49 PolarHBondContact O-N 3.33Å; D47-L49 VanDerWaalsContact C-N 3.27Å; D47-L49 PolarHBondContact O-N 3.35Å; L49-K52 PolarHBondContact O-N 3.01Å; L49-F53 HydrophobicContact CD1-CD2 4.43Å; L49-F53 HydrophobicContact CD1-CE2 3.82Å; L49-F53 HydrophobicContact CD1-CZ 3.99Å; L49-F53 HydrophobicContact CD2-CE2 4.02Å; L49-F53 HydrophobicContact CG-CD2 4.09Å; L49-F53 HydrophobicContact CG-CE2 3.55Å; L49-F53 HydrophobicContact CG-CZ 4.22Å; L49-F53 WeakPolarHBondContact O-CD2 3.46Å; L49-F53 PolarHBondContact O-N 3.33Å; L49-F53 VanDerWaalsContact O-N 3.1Å; L49-Y72 HydrophobicContact CD1-CD1 4.33Å; L49-Y72 HydrophobicContact CD1-CE1 3.79Å; L49-Y72 HydrophobicContact CD2-CE1 3.94Å |
| 50 | D | 86.7 | Confident | 85.8 | Confident | 72 Ų | 72 | 80.4 Ų | 80.4 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 174.9 | -70 | -19.9 | 0 | 0 | 0 | 110.5 | S46 D47 K52 F53 D54 | S46-D50 WeakPolarHBondContact O-CB 3.49Å; S46-D50 VanDerWaalsContact O-CG 3.22Å; S46-D50 PolarHBondContact O-N 3.18Å; D47-D50 PolarHBondContact O-N 2.93Å; D50-K52 VanDerWaalsContact C-N 3.29Å; D50-K52 PolarHBondContact O-N 3.39Å; D50-F53 PolarHBondContact O-N 3.03Å; D50-D54 PolarHBondContact O-N 3Å |
| 51 | E | 89.3 | Confident | 86 | Confident | 125 Ų | 125 | 77.7 Ų | 77.7 | 58% | 0.584 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -55.3 | -43 | 172.2 | -73.8 | 177.4 | -172.5 | 0 | 0 | 112.2 | D47 F53 D54 L55 | D47-E51 WeakPolarHBondContact O-CG 3.33Å; D47-E51 PolarHBondContact O-N 3.31Å; E51-F53 VanDerWaalsContact C-N 3.34Å; E51-F53 PolarHBondContact O-N 3Å; E51-D54 PolarHBondContact O-N 3.47Å; E51-L55 WeakPolarHBondContact O-CG 3.5Å; E51-L55 PolarHBondContact O-N 3.1Å |
| 52 | K | 87.7 | Confident | 86.1 | Confident | 58 Ų | 58 | 83.1 Ų | 83.1 | 25% | 0.252 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 175.3 | -81.5 | -155.3 | 163.5 | -137.8 | 0 | 112.7 | L41 L44 E48 L49 D50 D54 L56 I61 E65 L69 | L41-K52 HydrophobicContact CD2-CD 3.93Å; L44-K52 HydrophobicContact CD1-CD 3.95Å; E48-K52 PolarHBondContact O-N 3.13Å; L49-K52 PolarHBondContact O-N 3.01Å; D50-K52 VanDerWaalsContact C-N 3.29Å; D50-K52 PolarHBondContact O-N 3.39Å; K52-D54 VanDerWaalsContact C-N 3.35Å; K52-L56 PolarHBondContact O-N 3.24Å; K52-L56 VanDerWaalsContact O-N 3.12Å; K52-I61 WeakPolarHBondContact O-CD1 3.05Å; K52-E65 IonicContact NZ-OE1 2.73Å; K52-E65 PolarHBondContact NZ-OE1 3.3Å; K52-L69 HydrophobicContact CB-CD2 4.02Å; K52-L69 WeakPolarHBondContact O-CD2 3.34Å |
| 53 | F | 89.2 | Confident | 86.1 | Confident | 15 Ų | 15 | 79.6 Ų | 79.6 | 7% | 0.066 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.5 | -35.3 | 177.1 | -72.4 | -48.8 | 0 | 0 | 0 | 112.4 | L49 D50 E51 L56 E57 L69 Y72 R73 | L49-F53 HydrophobicContact CD1-CD2 4.43Å; L49-F53 HydrophobicContact CD1-CE2 3.82Å; L49-F53 HydrophobicContact CD1-CZ 3.99Å; L49-F53 HydrophobicContact CD2-CE2 4.02Å; L49-F53 HydrophobicContact CG-CD2 4.09Å; L49-F53 HydrophobicContact CG-CE2 3.55Å; L49-F53 HydrophobicContact CG-CZ 4.22Å; L49-F53 WeakPolarHBondContact O-CD2 3.46Å; L49-F53 PolarHBondContact O-N 3.33Å; L49-F53 VanDerWaalsContact O-N 3.1Å; D50-F53 PolarHBondContact O-N 3.03Å; E51-F53 VanDerWaalsContact C-N 3.34Å; E51-F53 PolarHBondContact O-N 3Å; F53-L56 WeakPolarHBondContact O-CB 3.37Å; F53-L56 PolarHBondContact O-N 3.2Å; F53-E57 PolarHBondContact O-N 3.31Å; F53-L69 HydrophobicContact CD1-CD1 3.83Å; F53-L69 HydrophobicContact CD1-CD2 4.09Å; F53-L69 HydrophobicContact CD1-CG 3.77Å; F53-L69 HydrophobicContact CE1-CD1 3.39Å; F53-L69 HydrophobicContact CE1-CD2 4.45Å; F53-L69 HydrophobicContact CE1-CG 3.66Å; F53-L69 HydrophobicContact CZ-CD1 4.09Å; F53-Y72 AromaticContact CZ-CD1 3.99Å; F53-Y72 HydrophobicContact CZ-CD1 3.99Å; F53-Y72 HydrophobicContact CZ-CE1 4.36Å; F53-R73 HydrophobicContact CD1-CB 4.25Å; F53-R73 HydrophobicContact CD1-CG 4.2Å; F53-R73 HydrophobicContact CE1-CB 3.46Å; F53-R73 VanDerWaalsContact CE1-CB 3.46Å; F53-R73 HydrophobicContact CE1-CG 3.75Å; F53-R73 HydrophobicContact CZ-CB 3.86Å; F53-R73 HydrophobicContact CZ-CG 3.97Å |
| 54 | D | 90.1 | Very high | 86 | Confident | 93 Ų | 93 | 78.6 Ų | 78.6 | 50% | 0.497 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 174.3 | -68.7 | -14.1 | 0 | 0 | 0 | 110.6 | D50 E51 K52 L56 E57 D58 | D50-D54 PolarHBondContact O-N 3Å; E51-D54 PolarHBondContact O-N 3.47Å; K52-D54 VanDerWaalsContact C-N 3.35Å; D54-L56 PolarHBondContact O-N 3.3Å; D54-E57 WeakPolarHBondContact O-CB 3.45Å; D54-E57 PolarHBondContact O-N 2.91Å; D54-D58 PolarHBondContact O-N 3.28Å |
| 55 | L | 89.5 | Confident | 85.9 | Confident | 66 Ų | 66 | 80.4 Ų | 80.4 | 35% | 0.346 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.9 | -32.5 | 174.9 | -67.7 | 172.9 | 0 | 0 | 0 | 113 | E51 G59 E60 I61 | E51-L55 WeakPolarHBondContact O-CG 3.5Å; E51-L55 PolarHBondContact O-N 3.1Å; L55-G59 PolarHBondContact O-N 3.12Å; L55-E60 HydrophobicContact CB-CB 4.42Å; L55-E60 HydrophobicContact CD2-CB 4.05Å; L55-E60 HydrophobicContact CD2-CG 4.39Å; L55-E60 WeakPolarHBondContact CD2-OE2 3.08Å; L55-E60 PolarHBondContact O-N 2.76Å; L55-I61 HydrophobicContact CB-CD1 3.75Å; L55-I61 HydrophobicContact CB-CG1 3.72Å; L55-I61 PolarHBondContact O-N 3.4Å |
| 56 | L | 88.5 | Confident | 85.9 | Confident | 31 Ų | 31 | 78 Ų | 78 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -70.2 | -38.8 | 173.1 | 176 | 141.1 | 0 | 0 | 0 | 112.2 | K52 F53 D54 G59 I61 A66 L69 E70 | K52-L56 PolarHBondContact O-N 3.24Å; K52-L56 VanDerWaalsContact O-N 3.12Å; F53-L56 WeakPolarHBondContact O-CB 3.37Å; F53-L56 PolarHBondContact O-N 3.2Å; D54-L56 PolarHBondContact O-N 3.3Å; L56-G59 PolarHBondContact O-N 2.88Å; L56-I61 HydrophobicContact CB-CD1 4.23Å; L56-A66 HydrophobicContact CD1-CB 4.41Å; L56-A66 WeakPolarHBondContact CD1-O 3.3Å; L56-L69 HydrophobicContact CB-CD2 3.79Å; L56-L69 HydrophobicContact CD1-CB 3.65Å; L56-L69 HydrophobicContact CD1-CD2 3.73Å; L56-L69 HydrophobicContact CD1-CG 3.77Å; L56-L69 HydrophobicContact CG-CD2 4.4Å; L56-E70 HydrophobicContact CD1-CB 4.4Å |
| 57 | E | 87.4 | Confident | 86 | Confident | 141 Ų | 141 | 82.4 Ų | 82.4 | 66% | 0.659 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.1 | -39.6 | 176.8 | -175.7 | 161.9 | -167.4 | 0 | 0 | 111.7 | F53 D54 G59 | F53-E57 PolarHBondContact O-N 3.31Å; D54-E57 WeakPolarHBondContact O-CB 3.45Å; D54-E57 PolarHBondContact O-N 2.91Å; E57-G59 PolarHBondContact O-N 2.77Å |
| 58 | D | 89.6 | Confident | 86 | Confident | 119 Ų | 119 | 78.4 Ų | 78.4 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -11.1 | 175.1 | -71.8 | -22 | 0 | 0 | 0 | 113.1 | D54 E60 | D54-D58 PolarHBondContact O-N 3.28Å; D58-E60 VanDerWaalsContact C-N 3.3Å; D58-E60 HydrophobicContact CB-CG 4.09Å |
| 59 | G | 84.9 | Confident | 86 | Confident | 58 Ų | 58 | 74.4 Ų | 74.4 | 60% | 0.598 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 20.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L55 L56 E57 I61 | L55-G59 PolarHBondContact O-N 3.12Å; L56-G59 PolarHBondContact O-N 2.88Å; E57-G59 PolarHBondContact O-N 2.77Å; G59-I61 VanDerWaalsContact C-N 3.3Å |
| 60 | E | 85.1 | Confident | 86 | Confident | 144 Ų | 144 | 78.4 Ų | 78.4 | 67% | 0.673 | 41% | 0.405 | S | S | * | . | trans | -79 | -14.5 | 176.3 | -62.2 | -161.7 | 175.5 | 0 | 0 | 112.8 | L55 D58 | L55-E60 HydrophobicContact CB-CB 4.42Å; L55-E60 HydrophobicContact CD2-CB 4.05Å; L55-E60 HydrophobicContact CD2-CG 4.39Å; L55-E60 WeakPolarHBondContact CD2-OE2 3.08Å; L55-E60 PolarHBondContact O-N 2.76Å; D58-E60 VanDerWaalsContact C-N 3.3Å; D58-E60 HydrophobicContact CB-CG 4.09Å | ||
| 61 | I | 82.6 | Confident | 86 | Confident | 20 Ų | 20 | 79.9 Ų | 79.9 | 10% | 0.103 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -96.2 | 134.5 | 174.1 | -59.2 | -176.5 | 0 | 0 | 0 | 110 | K52 L55 L56 G59 E65 A66 L69 | K52-I61 WeakPolarHBondContact O-CD1 3.05Å; L55-I61 HydrophobicContact CB-CD1 3.75Å; L55-I61 HydrophobicContact CB-CG1 3.72Å; L55-I61 PolarHBondContact O-N 3.4Å; L56-I61 HydrophobicContact CB-CD1 4.23Å; G59-I61 VanDerWaalsContact C-N 3.3Å; I61-E65 HydrophobicContact CG2-CB 3.47Å; I61-E65 VanDerWaalsContact CG2-CB 3.47Å; I61-E65 HydrophobicContact CG2-CG 3.44Å; I61-E65 VanDerWaalsContact CG2-CG 3.44Å; I61-A66 HydrophobicContact CG2-CB 4.17Å; I61-L69 HydrophobicContact CD1-CD2 3.72Å |
| 62 | D | 81.8 | Confident | 85.9 | Confident | 121 Ų | 121 | 75.4 Ų | 75.4 | 65% | 0.647 | 39% | 0.388 | S | S | * | . | trans | -93.3 | 162.3 | -174.2 | 75.1 | 30.6 | 0 | 0 | 0 | 115.1 | E64 E65 A66 | D62-E64 PolarHBondContact O-N 2.98Å; D62-E65 PolarHBondContact O-N 2.94Å; D62-A66 WeakPolarHBondContact O-CB 3.29Å; D62-A66 PolarHBondContact O-N 2.91Å | ||
| 63 | G | 79.4 | Confident | 85.8 | Confident | 41 Ų | 41 | 77 Ų | 77 | 42% | 0.423 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | 15.8 | -88.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | R67 | G63-R67 VanDerWaalsContact O-CG 3.31Å; G63-R67 WeakPolarHBondContact O-CG 3.46Å; G63-R67 PolarHBondContact O-N 3.31Å; G63-R67 PolarHBondContact O-NE 3.24Å |
| 64 | E | 81.8 | Confident | 85.7 | Confident | 149 Ų | 149 | 85.5 Ų | 85.5 | 70% | 0.696 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -76.3 | -41.1 | -172 | -174.6 | 166.6 | -146.1 | 0 | 0 | 112.6 | D62 A66 R67 F68 | D62-E64 PolarHBondContact O-N 2.98Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-R67 PolarHBondContact O-N 3.41Å; E64-F68 VanDerWaalsContact O-CB 3.29Å; E64-F68 WeakPolarHBondContact O-CB 3.48Å; E64-F68 PolarHBondContact O-N 2.93Å |
| 65 | E | 82.2 | Confident | 85.5 | Confident | 81 Ų | 81 | 85.5 Ų | 85.5 | 38% | 0.379 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 177.5 | -172.2 | 176.3 | -173.3 | 0 | 0 | 110.9 | K52 I61 D62 F68 L69 | K52-E65 IonicContact NZ-OE1 2.73Å; K52-E65 PolarHBondContact NZ-OE1 3.3Å; I61-E65 HydrophobicContact CG2-CB 3.47Å; I61-E65 VanDerWaalsContact CG2-CB 3.47Å; I61-E65 HydrophobicContact CG2-CG 3.44Å; I61-E65 VanDerWaalsContact CG2-CG 3.44Å; D62-E65 PolarHBondContact O-N 2.94Å; E65-F68 PolarHBondContact O-N 3.02Å; E65-L69 VanDerWaalsContact O-CB 3.3Å; E65-L69 WeakPolarHBondContact O-CB 3.3Å; E65-L69 PolarHBondContact O-N 2.95Å |
| 66 | A | 85.2 | Confident | 85.3 | Confident | 25 Ų | 25 | 87 Ų | 87 | 21% | 0.207 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L56 I61 D62 E64 F68 L69 E70 | L56-A66 HydrophobicContact CD1-CB 4.41Å; L56-A66 WeakPolarHBondContact CD1-O 3.3Å; I61-A66 HydrophobicContact CG2-CB 4.17Å; D62-A66 WeakPolarHBondContact O-CB 3.29Å; D62-A66 PolarHBondContact O-N 2.91Å; E64-A66 VanDerWaalsContact C-N 3.35Å; A66-F68 VanDerWaalsContact C-N 3.32Å; A66-F68 PolarHBondContact O-N 3.49Å; A66-L69 PolarHBondContact O-N 2.81Å; A66-E70 WeakPolarHBondContact O-CB 3.42Å; A66-E70 PolarHBondContact O-N 2.83Å |
| 67 | R | 85.9 | Confident | 85.1 | Confident | 161 Ų | 161 | 89 Ų | 89 | 61% | 0.608 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.1 | -43.9 | 174.4 | -76.6 | -172.6 | -64 | -99.6 | 3.7 | 111.5 | G63 E64 E71 | G63-R67 VanDerWaalsContact O-CG 3.31Å; G63-R67 WeakPolarHBondContact O-CG 3.46Å; G63-R67 PolarHBondContact O-N 3.31Å; G63-R67 PolarHBondContact O-NE 3.24Å; E64-R67 PolarHBondContact O-N 3.41Å; R67-E71 WeakPolarHBondContact O-CB 3.48Å; R67-E71 WeakPolarHBondContact O-CG 3.29Å; R67-E71 PolarHBondContact O-N 3.44Å |
| 68 | F | 85.5 | Confident | 85.1 | Confident | 35 Ų | 35 | 83.8 Ų | 83.8 | 15% | 0.154 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.7 | -45.2 | -179.2 | 177 | -103.6 | 0 | 0 | 0 | 112.2 | S37 K38 L41 E64 E65 A66 E71 Y72 | S37-F68 VanDerWaalsContact C-CE1 3.4Å; S37-F68 WeakPolarHBondContact O-CE1 3.44Å; S37-F68 VanDerWaalsContact OG-CD2 3.3Å; S37-F68 WeakPolarHBondContact OG-CD2 3.41Å; S37-F68 VanDerWaalsContact OG-CE1 3.29Å; S37-F68 WeakPolarHBondContact OG-CE1 3.44Å; S37-F68 WeakPolarHBondContact OG-CE2 3.23Å; S37-F68 WeakPolarHBondContact OG-CZ 3.19Å; K38-F68 HydrophobicContact CB-CZ 4.12Å; K38-F68 HydrophobicContact CD-CE2 4.48Å; K38-F68 HydrophobicContact CG-CE2 3.49Å; K38-F68 VanDerWaalsContact CG-CE2 3.49Å; K38-F68 HydrophobicContact CG-CZ 3.46Å; K38-F68 VanDerWaalsContact CG-CZ 3.46Å; L41-F68 HydrophobicContact CD1-CD1 4.07Å; L41-F68 HydrophobicContact CD1-CE1 3.3Å; L41-F68 HydrophobicContact CD1-CZ 3.98Å; L41-F68 HydrophobicContact CG-CE1 3.95Å; E64-F68 VanDerWaalsContact O-CB 3.29Å; E64-F68 WeakPolarHBondContact O-CB 3.48Å; E64-F68 PolarHBondContact O-N 2.93Å; E65-F68 PolarHBondContact O-N 3.02Å; A66-F68 VanDerWaalsContact C-N 3.32Å; A66-F68 PolarHBondContact O-N 3.49Å; F68-E71 PolarHBondContact O-N 3.41Å; F68-Y72 WeakPolarHBondContact O-CB 3.31Å; F68-Y72 PolarHBondContact O-N 3.23Å |
| 69 | L | 86.5 | Confident | 84.8 | Confident | 2 Ų | 2 | 83.7 Ų | 83.7 | 1% | 0.01 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.8 | -37.8 | -179.9 | -175 | 62.4 | 0 | 0 | 0 | 112 | L41 K52 F53 L56 I61 E65 A66 Y72 R73 | L41-L69 HydrophobicContact CD1-CD1 3.83Å; L41-L69 HydrophobicContact CD2-CD1 4.12Å; K52-L69 HydrophobicContact CB-CD2 4.02Å; K52-L69 WeakPolarHBondContact O-CD2 3.34Å; F53-L69 HydrophobicContact CD1-CD1 3.83Å; F53-L69 HydrophobicContact CD1-CD2 4.09Å; F53-L69 HydrophobicContact CD1-CG 3.77Å; F53-L69 HydrophobicContact CE1-CD1 3.39Å; F53-L69 HydrophobicContact CE1-CD2 4.45Å; F53-L69 HydrophobicContact CE1-CG 3.66Å; F53-L69 HydrophobicContact CZ-CD1 4.09Å; L56-L69 HydrophobicContact CB-CD2 3.79Å; L56-L69 HydrophobicContact CD1-CB 3.65Å; L56-L69 HydrophobicContact CD1-CD2 3.73Å; L56-L69 HydrophobicContact CD1-CG 3.77Å; L56-L69 HydrophobicContact CG-CD2 4.4Å; I61-L69 HydrophobicContact CD1-CD2 3.72Å; E65-L69 VanDerWaalsContact O-CB 3.3Å; E65-L69 WeakPolarHBondContact O-CB 3.3Å; E65-L69 PolarHBondContact O-N 2.95Å; A66-L69 PolarHBondContact O-N 2.81Å; L69-Y72 PolarHBondContact O-N 3.25Å; L69-R73 WeakPolarHBondContact O-CB 3.36Å; L69-R73 PolarHBondContact O-N 3.45Å |
| 70 | E | 87 | Confident | 84.7 | Confident | 90 Ų | 90 | 86.7 Ų | 86.7 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 172.8 | -177.9 | 55.1 | -145.3 | 0 | 0 | 111.6 | L56 A66 Y72 R73 R74 | L56-E70 HydrophobicContact CD1-CB 4.4Å; A66-E70 WeakPolarHBondContact O-CB 3.42Å; A66-E70 PolarHBondContact O-N 2.83Å; E70-Y72 VanDerWaalsContact C-N 3.31Å; E70-Y72 PolarHBondContact O-N 2.75Å; E70-R73 PolarHBondContact O-N 3.35Å; E70-R74 VanDerWaalsContact O-CB 3.31Å; E70-R74 WeakPolarHBondContact O-CB 3.35Å; E70-R74 PolarHBondContact O-N 3.26Å |
| 71 | E | 87.3 | Confident | 84.6 | Confident | 103 Ų | 103 | 86 Ų | 86 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 173.2 | -82.2 | -168.1 | -158.5 | 0 | 0 | 112.4 | R67 F68 K75 | R67-E71 WeakPolarHBondContact O-CB 3.48Å; R67-E71 WeakPolarHBondContact O-CG 3.29Å; R67-E71 PolarHBondContact O-N 3.44Å; F68-E71 PolarHBondContact O-N 3.41Å; E71-K75 VanDerWaalsContact O-CB 3.31Å; E71-K75 WeakPolarHBondContact O-CB 3.31Å; E71-K75 WeakPolarHBondContact O-CD 3.41Å; E71-K75 WeakPolarHBondContact O-CG 3.41Å; E71-K75 PolarHBondContact O-N 3.26Å; E71-K75 IonicContact OE2-NZ 2.66Å; E71-K75 PolarHBondContact OE2-NZ 3.39Å |
| 72 | Y | 86.6 | Confident | 84.6 | Confident | 31 Ų | 31 | 89.8 Ų | 89.8 | 12% | 0.122 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 176.5 | 179.9 | -101.5 | 0 | 0 | 0 | 111.2 | L41 D42 L49 F53 F68 L69 E70 R74 K75 R76 | L41-Y72 HydrophobicContact CB-CD1 4.2Å; L41-Y72 HydrophobicContact CB-CD2 4.29Å; L41-Y72 HydrophobicContact CB-CE1 3.86Å; L41-Y72 HydrophobicContact CB-CE2 3.98Å; L41-Y72 HydrophobicContact CB-CG 4.39Å; L41-Y72 HydrophobicContact CD1-CD1 3.5Å; L41-Y72 VanDerWaalsContact CD1-CD1 3.5Å; L41-Y72 HydrophobicContact CD1-CD2 3.96Å; L41-Y72 HydrophobicContact CD1-CE1 4.04Å; L41-Y72 HydrophobicContact CD1-CE2 4.47Å; L41-Y72 HydrophobicContact CD1-CG 3.44Å; L41-Y72 VanDerWaalsContact CD1-CG 3.44Å; L41-Y72 HydrophobicContact CG-CD1 4.43Å; D42-Y72 PolarHBondContact OD1-OH 3.06Å; L49-Y72 HydrophobicContact CD1-CD1 4.33Å; L49-Y72 HydrophobicContact CD1-CE1 3.79Å; L49-Y72 HydrophobicContact CD2-CE1 3.94Å; F53-Y72 AromaticContact CZ-CD1 3.99Å; F53-Y72 HydrophobicContact CZ-CD1 3.99Å; F53-Y72 HydrophobicContact CZ-CE1 4.36Å; F68-Y72 WeakPolarHBondContact O-CB 3.31Å; F68-Y72 PolarHBondContact O-N 3.23Å; L69-Y72 PolarHBondContact O-N 3.25Å; E70-Y72 VanDerWaalsContact C-N 3.31Å; E70-Y72 PolarHBondContact O-N 2.75Å; Y72-R74 PolarHBondContact O-N 3.42Å; Y72-K75 PolarHBondContact O-N 3.43Å; Y72-R76 WeakPolarHBondContact O-CB 3.18Å; Y72-R76 PolarHBondContact O-N 2.88Å |
| 73 | R | 86.3 | Confident | 84.6 | Confident | 90 Ų | 90 | 90.2 Ų | 90.2 | 34% | 0.34 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -53.6 | -53 | 174.2 | -164.8 | 179 | -179.1 | 172.7 | 5.7 | 110.8 | F53 L69 E70 K75 R76 I77 | F53-R73 HydrophobicContact CD1-CB 4.25Å; F53-R73 HydrophobicContact CD1-CG 4.2Å; F53-R73 HydrophobicContact CE1-CB 3.46Å; F53-R73 VanDerWaalsContact CE1-CB 3.46Å; F53-R73 HydrophobicContact CE1-CG 3.75Å; F53-R73 HydrophobicContact CZ-CB 3.86Å; F53-R73 HydrophobicContact CZ-CG 3.97Å; L69-R73 WeakPolarHBondContact O-CB 3.36Å; L69-R73 PolarHBondContact O-N 3.45Å; E70-R73 PolarHBondContact O-N 3.35Å; R73-K75 PolarHBondContact O-N 2.87Å; R73-R76 PolarHBondContact O-N 3.48Å; R73-I77 HydrophobicContact CG-CD1 3.81Å; R73-I77 WeakPolarHBondContact O-CB 3.31Å; R73-I77 VanDerWaalsContact O-CG1 3.29Å; R73-I77 WeakPolarHBondContact O-CG1 3.29Å; R73-I77 PolarHBondContact O-N 2.85Å |
| 74 | R | 86.2 | Confident | 84.6 | Confident | 194 Ų | 194 | 91.3 Ų | 91.3 | 73% | 0.732 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | -179.5 | -175.5 | -179.9 | 175.3 | -164.3 | -0.8 | 112 | E70 Y72 G78 | E70-R74 VanDerWaalsContact O-CB 3.31Å; E70-R74 WeakPolarHBondContact O-CB 3.35Å; E70-R74 PolarHBondContact O-N 3.26Å; Y72-R74 PolarHBondContact O-N 3.42Å; R74-G78 PolarHBondContact O-N 2.93Å |
| 75 | K | 85.9 | Confident | 84.6 | Confident | 94 Ų | 94 | 87.7 Ų | 87.7 | 41% | 0.409 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 176.9 | -75.6 | 166 | -169.6 | 153.3 | 0 | 111.3 | E71 Y72 R73 G78 M79 | E71-K75 VanDerWaalsContact O-CB 3.31Å; E71-K75 WeakPolarHBondContact O-CB 3.31Å; E71-K75 WeakPolarHBondContact O-CD 3.41Å; E71-K75 WeakPolarHBondContact O-CG 3.41Å; E71-K75 PolarHBondContact O-N 3.26Å; E71-K75 IonicContact OE2-NZ 2.66Å; E71-K75 PolarHBondContact OE2-NZ 3.39Å; Y72-K75 PolarHBondContact O-N 3.43Å; R73-K75 PolarHBondContact O-N 2.87Å; K75-G78 PolarHBondContact O-N 3.24Å; K75-M79 WeakPolarHBondContact O-CG 3.27Å; K75-M79 PolarHBondContact O-N 3.32Å |
| 76 | R | 85.6 | Confident | 84.7 | Confident | 96 Ų | 96 | 89 Ų | 89 | 36% | 0.362 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 179.3 | -171.5 | 179.9 | 179.1 | -140.4 | 4.7 | 111.8 | Y72 R73 G78 M79 M80 | Y72-R76 WeakPolarHBondContact O-CB 3.18Å; Y72-R76 PolarHBondContact O-N 2.88Å; R73-R76 PolarHBondContact O-N 3.48Å; R76-G78 VanDerWaalsContact C-N 3.34Å; R76-M79 PolarHBondContact O-N 3.28Å; R76-M80 WeakPolarHBondContact O-CB 3.35Å; R76-M80 PolarHBondContact O-N 2.89Å |
| 77 | I | 85.3 | Confident | 84.7 | Confident | 75 Ų | 75 | 89.7 Ų | 89.7 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 174.1 | -69.1 | 171.9 | 0 | 0 | 0 | 110.2 | R73 M79 M80 Q81 | R73-I77 HydrophobicContact CG-CD1 3.81Å; R73-I77 WeakPolarHBondContact O-CB 3.31Å; R73-I77 VanDerWaalsContact O-CG1 3.29Å; R73-I77 WeakPolarHBondContact O-CG1 3.29Å; R73-I77 PolarHBondContact O-N 2.85Å; I77-M79 PolarHBondContact O-N 3.45Å; I77-M80 PolarHBondContact O-N 2.95Å; I77-Q81 HydrophobicContact CG2-CG 4.15Å; I77-Q81 WeakPolarHBondContact O-CB 3.34Å; I77-Q81 VanDerWaalsContact O-CG 3.27Å; I77-Q81 WeakPolarHBondContact O-CG 3.42Å; I77-Q81 PolarHBondContact O-N 2.88Å |
| 78 | G | 86 | Confident | 84.9 | Confident | 31 Ų | 31 | 91.7 Ų | 91.7 | 32% | 0.32 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59 | -46.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R74 K75 R76 Q81 E82 | R74-G78 PolarHBondContact O-N 2.93Å; K75-G78 PolarHBondContact O-N 3.24Å; R76-G78 VanDerWaalsContact C-N 3.34Å; G78-Q81 PolarHBondContact O-N 3.27Å; G78-E82 WeakPolarHBondContact O-CB 3.31Å; G78-E82 PolarHBondContact O-N 3.44Å |
| 79 | M | 84.7 | Confident | 85.2 | Confident | 117 Ų | 117 | 92.9 Ų | 92.9 | 58% | 0.576 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 175.6 | -71.5 | 178.6 | -179.3 | 0 | 0 | 111.8 | K75 R76 I77 E82 M83 | K75-M79 WeakPolarHBondContact O-CG 3.27Å; K75-M79 PolarHBondContact O-N 3.32Å; R76-M79 PolarHBondContact O-N 3.28Å; I77-M79 PolarHBondContact O-N 3.45Å; M79-E82 PolarHBondContact O-N 3.23Å; M79-M83 WeakPolarHBondContact O-CG 3.49Å; M79-M83 PolarHBondContact O-N 3.19Å |
| 80 | M | 81 | Confident | 85.5 | Confident | 120 Ų | 120 | 94 Ų | 94 | 59% | 0.591 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.3 | -43.6 | 177.9 | -174.2 | -178.1 | -68.6 | 0 | 0 | 111.6 | R76 I77 M83 A84 | R76-M80 WeakPolarHBondContact O-CB 3.35Å; R76-M80 PolarHBondContact O-N 2.89Å; I77-M80 PolarHBondContact O-N 2.95Å; M80-M83 PolarHBondContact O-N 3.45Å; M80-A84 VanDerWaalsContact O-CB 3.29Å; M80-A84 WeakPolarHBondContact O-CB 3.47Å; M80-A84 PolarHBondContact O-N 3.38Å |
| 81 | Q | 84.2 | Confident | 85.9 | Confident | 129 Ų | 129 | 94 Ų | 94 | 60% | 0.603 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.3 | -41.5 | 175.5 | -75.1 | 178.3 | -9.1 | 0 | 0 | 111.6 | I77 G78 A84 S85 | I77-Q81 HydrophobicContact CG2-CG 4.15Å; I77-Q81 WeakPolarHBondContact O-CB 3.34Å; I77-Q81 VanDerWaalsContact O-CG 3.27Å; I77-Q81 WeakPolarHBondContact O-CG 3.42Å; I77-Q81 PolarHBondContact O-N 2.88Å; G78-Q81 PolarHBondContact O-N 3.27Å; Q81-A84 PolarHBondContact O-N 2.6Å; Q81-S85 VanDerWaalsContact O-CB 3.29Å; Q81-S85 WeakPolarHBondContact O-CB 3.37Å; Q81-S85 PolarHBondContact O-N 2.82Å; Q81-S85 PolarHBondContact O-OG 3.17Å |
| 82 | E | 83.2 | Confident | 86.4 | Confident | 100 Ų | 100 | 91 Ų | 91 | 47% | 0.467 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 176.3 | -172.3 | -177.6 | 175.1 | 0 | 0 | 111.1 | G78 M79 A84 S85 K86 | G78-E82 WeakPolarHBondContact O-CB 3.31Å; G78-E82 PolarHBondContact O-N 3.44Å; M79-E82 PolarHBondContact O-N 3.23Å; E82-A84 PolarHBondContact O-N 2.72Å; E82-S85 PolarHBondContact O-N 2.68Å; E82-S85 PolarHBondContact O-OG 3.45Å; E82-K86 HydrophobicContact CG-CD 4.43Å; E82-K86 WeakPolarHBondContact O-CG 3.36Å; E82-K86 PolarHBondContact O-N 3.41Å; E82-K86 VanDerWaalsContact OE1-CE 3.28Å; E82-K86 WeakPolarHBondContact OE1-CE 3.4Å; E82-K86 IonicContact OE1-NZ 2.75Å; E82-K86 PolarHBondContact OE1-NZ 3.2Å |
| 83 | M | 80 | Confident | 86.8 | Confident | 131 Ų | 131 | 96.5 Ų | 96.5 | 65% | 0.645 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.7 | -44.9 | 175.8 | -72 | -177 | -176.5 | 0 | 0 | 111.8 | M79 M80 S85 K86 A87 | M79-M83 WeakPolarHBondContact O-CG 3.49Å; M79-M83 PolarHBondContact O-N 3.19Å; M80-M83 PolarHBondContact O-N 3.45Å; M83-S85 VanDerWaalsContact C-N 3.33Å; M83-S85 PolarHBondContact O-N 3.44Å; M83-K86 PolarHBondContact O-N 2.92Å; M83-A87 WeakPolarHBondContact O-CB 3.35Å; M83-A87 PolarHBondContact O-N 2.96Å |
| 84 | A | 80.7 | Confident | 87.3 | Confident | 64 Ų | 64 | 98 Ų | 98 | 53% | 0.529 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M80 Q81 E82 K86 A87 | M80-A84 VanDerWaalsContact O-CB 3.29Å; M80-A84 WeakPolarHBondContact O-CB 3.47Å; M80-A84 PolarHBondContact O-N 3.38Å; Q81-A84 PolarHBondContact O-N 2.6Å; E82-A84 PolarHBondContact O-N 2.72Å; A84-K86 VanDerWaalsContact C-N 3.27Å; A84-K86 PolarHBondContact O-N 2.88Å; A84-A87 PolarHBondContact O-N 3.46Å |
| 85 | S | 82 | Confident | 87.7 | Confident | 72 Ų | 72 | 89 Ų | 89 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.7 | -25.2 | 177.4 | 78.3 | 0 | 0 | 0 | 0 | 113.2 | Q81 E82 M83 R88 | Q81-S85 VanDerWaalsContact O-CB 3.29Å; Q81-S85 WeakPolarHBondContact O-CB 3.37Å; Q81-S85 PolarHBondContact O-N 2.82Å; Q81-S85 PolarHBondContact O-OG 3.17Å; E82-S85 PolarHBondContact O-N 2.68Å; E82-S85 PolarHBondContact O-OG 3.45Å; M83-S85 VanDerWaalsContact C-N 3.33Å; M83-S85 PolarHBondContact O-N 3.44Å; S85-R88 WeakPolarHBondContact O-CD 3.42Å; S85-R88 WeakPolarHBondContact O-CG 3.45Å |
| 86 | K | 83.6 | Confident | 88.1 | Confident | 110 Ų | 110 | 87 Ų | 87 | 48% | 0.478 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -82.7 | -32.7 | 172.8 | -70 | 175.5 | -175.4 | 171.5 | 0 | 111.6 | E82 M83 A84 R88 T140 | E82-K86 HydrophobicContact CG-CD 4.43Å; E82-K86 WeakPolarHBondContact O-CG 3.36Å; E82-K86 PolarHBondContact O-N 3.41Å; E82-K86 VanDerWaalsContact OE1-CE 3.28Å; E82-K86 WeakPolarHBondContact OE1-CE 3.4Å; E82-K86 IonicContact OE1-NZ 2.75Å; E82-K86 PolarHBondContact OE1-NZ 3.2Å; M83-K86 PolarHBondContact O-N 2.92Å; A84-K86 VanDerWaalsContact C-N 3.27Å; A84-K86 PolarHBondContact O-N 2.88Å; K86-R88 PolarHBondContact O-N 2.92Å; K86-T140 HydrophobicContact CB-CG2 4.14Å; K86-T140 WeakPolarHBondContact O-CA 3.39Å |
| 87 | A | 85.8 | Confident | 88.4 | Confident | 39 Ų | 39 | 88.5 Ų | 88.5 | 32% | 0.322 | 46% | 0.457 | S | S | . | . | trans | -75.2 | 57.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M83 A84 P139 T140 | M83-A87 WeakPolarHBondContact O-CB 3.35Å; M83-A87 PolarHBondContact O-N 2.96Å; A84-A87 PolarHBondContact O-N 3.46Å; A87-P139 CarbonylContact C-O 3.55Å; A87-P139 WeakPolarHBondContact CA-O 3.28Å; A87-P139 HydrophobicContact CB-CB 4.02Å; A87-P139 HydrophobicContact CB-CG 3.81Å; A87-T140 HydrophobicContact CB-CG2 4.3Å | ||
| 88 | R | 88.6 | Confident | 88.7 | Confident | 202 Ų | 202 | 88.8 Ų | 88.8 | 76% | 0.762 | 47% | 0.471 | S | S | * | . | trans | -94.4 | -10.7 | -175.8 | -66.1 | 172.8 | 65 | -172.5 | 3 | 114 | S85 K86 P139 | S85-R88 WeakPolarHBondContact O-CD 3.42Å; S85-R88 WeakPolarHBondContact O-CG 3.45Å; K86-R88 PolarHBondContact O-N 2.92Å; R88-P139 PolarHBondContact N-O 2.77Å | ||
| 89 | F | 92.6 | Very high | 89.1 | Confident | 60 Ų | 60 | 90.5 Ų | 90.5 | 26% | 0.263 | 47% | 0.473 | S | S | . | . | trans | -103.3 | -175.5 | 179.4 | -49.3 | -76 | 0 | 0 | 0 | 109.8 | T110 P139 V141 K142 | F89-T110 HydrophobicContact CD2-CG2 4.21Å; F89-T110 HydrophobicContact CE2-CG2 3.36Å; F89-T110 HydrophobicContact CZ-CG2 3.93Å; F89-P139 WeakPolarHBondContact CA-O 3.22Å; F89-P139 VanDerWaalsContact CB-O 3.29Å; F89-P139 WeakPolarHBondContact CB-O 3.19Å; F89-P139 WeakPolarHBondContact CD2-O 3.41Å; F89-P139 PolarHBondContact N-O 3.33Å; F89-P139 WeakPolarHBondContact O-CA 3.32Å; F89-P139 WeakPolarHBondContact O-CB 3.31Å; F89-V141 WeakPolarHBondContact CB-O 3.37Å; F89-K142 HydrophobicContact CD1-CB 3.77Å; F89-K142 HydrophobicContact CD1-CD 4.22Å; F89-K142 HydrophobicContact CD1-CG 3.66Å; F89-K142 HydrophobicContact CD2-CB 4.16Å; F89-K142 HydrophobicContact CE1-CB 3.68Å; F89-K142 HydrophobicContact CE1-CD 3.57Å; F89-K142 HydrophobicContact CE1-CG 3.53Å; F89-K142 HydrophobicContact CE2-CB 4.11Å; F89-K142 HydrophobicContact CG-CB 4Å; F89-K142 HydrophobicContact CG-CG 4.36Å; F89-K142 HydrophobicContact CZ-CB 3.85Å; F89-K142 HydrophobicContact CZ-CD 4.05Å; F89-K142 HydrophobicContact CZ-CG 4.16Å | ||
| 90 | G | 93.5 | Very high | 89.4 | Confident | 26 Ų | 26 | 86.8 Ų | 86.8 | 27% | 0.268 | 45% | 0.452 | S | S | . | . | trans | 160.6 | -11.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A135 Q136 | G90-A135 CarbonylContact C-O 3.58Å; G90-A135 VanDerWaalsContact CA-O 3.27Å; G90-A135 WeakPolarHBondContact CA-O 3.38Å; G90-A135 CarbonylContact O-C 3.54Å; G90-Q136 WeakPolarHBondContact O-CG 3.49Å; G90-Q136 PolarHBondContact O-N 3.46Å | ||
| 91 | S | 95.3 | Very high | 89.9 | Confident | 90 Ų | 90 | 86 Ų | 86 | 63% | 0.629 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -137.6 | 159.7 | 179.2 | 62.4 | 0 | 0 | 0 | 0 | 111 | ||
| 92 | V | 97.2 | Very high | 90.3 | Very high | 39 Ų | 39 | 84 Ų | 84 | 24% | 0.236 | 45% | 0.446 | C | S | . | . | trans | -89.6 | 124.7 | 174.5 | -176 | 0 | 0 | 0 | 0 | 108.1 | F131 R132 A135 F143 R145 | V92-F131 VanDerWaalsContact CG2-C 3.46Å; V92-F131 HydrophobicContact CG2-CB 3.89Å; V92-F131 WeakPolarHBondContact CG2-O 3.42Å; V92-R132 HydrophobicContact CG2-CG 4.05Å; V92-A135 HydrophobicContact CG2-CB 3.8Å; V92-F143 WeakPolarHBondContact CA-O 3.41Å; V92-F143 HydrophobicContact CG2-CB 4.12Å; V92-R145 HydrophobicContact CG1-CB 3.81Å | ||
| 93 | R | 95.5 | Very high | 90.7 | Very high | 147 Ų | 147 | 80.8 Ų | 80.8 | 56% | 0.555 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 143.1 | 176.3 | -163.6 | -176.6 | -167.2 | -166.5 | -0.2 | 110.9 | E103 F143 L144 R145 | R93-E103 IonicContact CZ-OE1 3.91Å; R93-E103 VanDerWaalsContact NH1-CD 3.31Å; R93-E103 IonicContact NH1-OE1 2.72Å; R93-E103 PolarHBondContact NH1-OE1 3.35Å; R93-E103 IonicContact NH1-OE2 2.81Å; R93-F143 PolarHBondContact N-O 3.02Å; R93-L144 HydrophobicContact CB-CD2 3.8Å; R93-L144 CarbonylContact O-C 3.57Å; R93-L144 VanDerWaalsContact O-CA 3.31Å; R93-L144 WeakPolarHBondContact O-CA 3.45Å; R93-R145 PolarHBondContact O-N 3.12Å |
| 94 | E | 95.9 | Very high | 91.3 | Very high | 123 Ų | 123 | 74.5 Ų | 74.5 | 58% | 0.575 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 141.1 | 170.7 | -60.6 | -165.6 | 163.8 | 0 | 0 | 111 | R145 | E94-R145 CarbonylContact C-O 3.58Å; E94-R145 WeakPolarHBondContact CA-O 3.44Å |
| 95 | V | 95.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 74.2 Ų | 74.2 | 2% | 0.024 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.9 | 179.8 | 71.1 | 0 | 0 | 0 | 0 | 109.6 | D99 W100 E103 I114 L144 R145 C151 | V95-D99 HydrophobicContact CG2-CB 3.63Å; V95-W100 HydrophobicContact CG1-CE3 4.27Å; V95-W100 HydrophobicContact CG1-CZ3 4.37Å; V95-E103 HydrophobicContact CG2-CB 4.15Å; V95-E103 HydrophobicContact CG2-CG 4.44Å; V95-I114 HydrophobicContact CG1-CG2 4.32Å; V95-L144 HydrophobicContact CB-CD1 4.47Å; V95-L144 HydrophobicContact CG1-CB 4.27Å; V95-R145 PolarHBondContact N-O 3.2Å; V95-C151 PolarHBondContact O-SG 3.42Å |
| 96 | T | 93.6 | Very high | 92.1 | Very high | 51 Ų | 51 | 76.4 Ų | 76.4 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | trans | -109.7 | 175.9 | 171.8 | 70.6 | 0 | 0 | 0 | 0 | 110.8 | A98 D99 W100 | T96-A98 PolarHBondContact O-N 3.44Å; T96-A98 PolarHBondContact OG1-N 3.32Å; T96-D99 PolarHBondContact N-OD2 3.43Å; T96-D99 PolarHBondContact O-N 2.87Å; T96-D99 PolarHBondContact OG1-OD2 2.83Å; T96-W100 PolarHBondContact O-N 3.39Å | ||
| 97 | K | 92.1 | Very high | 92.3 | Very high | 129 Ų | 129 | 72.2 Ų | 72.2 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -55.7 | -33.7 | 172.4 | -177.8 | 176.3 | -177.8 | -176.8 | 0 | 113.2 | L150 | K97-L150 WeakPolarHBondContact CB-O 3.33Å; K97-L150 PolarHBondContact N-O 2.92Å |
| 98 | A | 92.1 | Very high | 92.3 | Very high | 80 Ų | 80 | 72.3 Ų | 72.3 | 66% | 0.661 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70.6 | -37.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T96 | T96-A98 PolarHBondContact O-N 3.44Å; T96-A98 PolarHBondContact OG1-N 3.32Å |
| 99 | D | 93.1 | Very high | 92.4 | Very high | 68 Ų | 68 | 68.7 Ų | 68.7 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -80.8 | -20.2 | -178.1 | -53.3 | -55.2 | 0 | 0 | 0 | 112.4 | V95 T96 I101 T102 E103 | V95-D99 HydrophobicContact CG2-CB 3.63Å; T96-D99 PolarHBondContact N-OD2 3.43Å; T96-D99 PolarHBondContact O-N 2.87Å; T96-D99 PolarHBondContact OG1-OD2 2.83Å; D99-I101 VanDerWaalsContact C-N 3.32Å; D99-I101 PolarHBondContact O-N 3.38Å; D99-T102 PolarHBondContact O-N 2.86Å; D99-T102 VanDerWaalsContact O-N 3.13Å; D99-E103 HydrophobicContact CB-CG 4.06Å; D99-E103 WeakPolarHBondContact O-CB 3.34Å; D99-E103 WeakPolarHBondContact O-CG 3.34Å; D99-E103 PolarHBondContact O-N 3.5Å |
| 100 | W | 92.3 | Very high | 92.3 | Very high | 38 Ų | 38 | 67.5 Ų | 67.5 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -52.3 | -46.4 | -173.7 | -166.2 | -80.4 | 0 | 0 | 0 | 113.2 | V95 T96 T102 V104 T105 I114 V116 C151 L164 Y166 | V95-W100 HydrophobicContact CG1-CE3 4.27Å; V95-W100 HydrophobicContact CG1-CZ3 4.37Å; T96-W100 PolarHBondContact O-N 3.39Å; W100-T102 PolarHBondContact O-N 2.62Å; W100-V104 HydrophobicContact CD2-CG2 3.93Å; W100-V104 HydrophobicContact CE3-CG2 4.37Å; W100-V104 HydrophobicContact CG-CB 4.41Å; W100-V104 HydrophobicContact CG-CG2 4.1Å; W100-V104 WeakPolarHBondContact O-CA 3.29Å; W100-V104 WeakPolarHBondContact O-CB 3.29Å; W100-V104 WeakPolarHBondContact O-CG2 3.38Å; W100-V104 PolarHBondContact O-N 3.33Å; W100-T105 PolarHBondContact O-N 3.49Å; W100-I114 HydrophobicContact CE3-CD1 4.49Å; W100-I114 HydrophobicContact CH2-CB 4.49Å; W100-I114 HydrophobicContact CH2-CD1 3.42Å; W100-I114 VanDerWaalsContact CH2-CD1 3.42Å; W100-I114 HydrophobicContact CH2-CG2 4.04Å; W100-I114 HydrophobicContact CZ2-CD1 3.56Å; W100-I114 HydrophobicContact CZ3-CD1 3.92Å; W100-I114 HydrophobicContact CZ3-CG2 4Å; W100-V116 HydrophobicContact CH2-CG2 4.39Å; W100-C151 HydrophobicContact CE3-CB 4.25Å; W100-C151 HydrophobicContact CZ3-CB 4.09Å; W100-L164 HydrophobicContact CH2-CD1 3.97Å; W100-L164 HydrophobicContact CZ2-CD1 4.27Å; W100-Y166 AromaticContact CZ2-CE2 3.86Å; W100-Y166 HydrophobicContact CZ2-CE2 3.86Å; W100-Y166 AromaticContact CZ2-CZ 4Å |
| 101 | I | 91.6 | Very high | 92.4 | Very high | 103 Ų | 103 | 68.4 Ų | 68.4 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | I | π-helix | trans | -63.3 | -46.3 | -178.1 | -61.1 | 172.5 | 0 | 0 | 0 | 110.3 | D99 T105 N106 | D99-I101 VanDerWaalsContact C-N 3.32Å; D99-I101 PolarHBondContact O-N 3.38Å; I101-T105 VanDerWaalsContact O-CB 3.31Å; I101-T105 WeakPolarHBondContact O-CB 3.35Å; I101-T105 PolarHBondContact O-N 2.87Å; I101-N106 PolarHBondContact O-N 3.47Å |
| 102 | T | 92.8 | Very high | 92.5 | Very high | 88 Ų | 88 | 64.2 Ų | 64.2 | 54% | 0.54 | 35% | 0.349 | S | S | . | . | I | π-helix | trans | -70.6 | -44 | -178.3 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | D99 W100 | D99-T102 PolarHBondContact O-N 2.86Å; D99-T102 VanDerWaalsContact O-N 3.13Å; W100-T102 PolarHBondContact O-N 2.62Å |
| 103 | E | 91.5 | Very high | 92.5 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 15% | 0.15 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -86.8 | -27.3 | -170 | -65.9 | -67 | 150.5 | 0 | 0 | 113.5 | R93 V95 D99 K142 L144 | R93-E103 IonicContact CZ-OE1 3.91Å; R93-E103 VanDerWaalsContact NH1-CD 3.31Å; R93-E103 IonicContact NH1-OE1 2.72Å; R93-E103 PolarHBondContact NH1-OE1 3.35Å; R93-E103 IonicContact NH1-OE2 2.81Å; V95-E103 HydrophobicContact CG2-CB 4.15Å; V95-E103 HydrophobicContact CG2-CG 4.44Å; D99-E103 HydrophobicContact CB-CG 4.06Å; D99-E103 WeakPolarHBondContact O-CB 3.34Å; D99-E103 WeakPolarHBondContact O-CG 3.34Å; D99-E103 PolarHBondContact O-N 3.5Å; E103-K142 PolarHBondContact O-NZ 2.89Å; E103-K142 WeakPolarHBondContact OE2-CE 3.4Å; E103-K142 IonicContact OE2-NZ 2.66Å; E103-K142 PolarHBondContact OE2-NZ 3.21Å; E103-L144 HydrophobicContact CB-CD1 4.02Å |
| 104 | V | 91.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -111.4 | -58.8 | -175.1 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | W100 A107 V112 I114 L144 Y166 | W100-V104 HydrophobicContact CD2-CG2 3.93Å; W100-V104 HydrophobicContact CE3-CG2 4.37Å; W100-V104 HydrophobicContact CG-CB 4.41Å; W100-V104 HydrophobicContact CG-CG2 4.1Å; W100-V104 WeakPolarHBondContact O-CA 3.29Å; W100-V104 WeakPolarHBondContact O-CB 3.29Å; W100-V104 WeakPolarHBondContact O-CG2 3.38Å; W100-V104 PolarHBondContact O-N 3.33Å; V104-A107 WeakPolarHBondContact O-CB 3.34Å; V104-V112 HydrophobicContact CG1-CG1 4.46Å; V104-V112 HydrophobicContact CG2-CG1 4.43Å; V104-I114 HydrophobicContact CB-CD1 4.1Å; V104-I114 HydrophobicContact CG1-CD1 3.61Å; V104-I114 HydrophobicContact CG2-CD1 3.32Å; V104-I114 HydrophobicContact CG2-CG1 4.33Å; V104-L144 HydrophobicContact CG2-CD1 3.89Å; V104-Y166 HydrophobicContact CG1-CD1 3.81Å; V104-Y166 HydrophobicContact CG1-CD2 3.46Å; V104-Y166 VanDerWaalsContact CG1-CD2 3.46Å; V104-Y166 HydrophobicContact CG1-CE1 4.17Å; V104-Y166 HydrophobicContact CG1-CE2 3.83Å; V104-Y166 HydrophobicContact CG1-CG 3.45Å; V104-Y166 VanDerWaalsContact CG1-CG 3.45Å |
| 105 | T | 89.6 | Confident | 92.7 | Very high | 58 Ų | 58 | 49.5 Ų | 49.5 | 36% | 0.356 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -68.1 | -41.7 | -174.4 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | W100 I101 G169 | W100-T105 PolarHBondContact O-N 3.49Å; I101-T105 VanDerWaalsContact O-CB 3.31Å; I101-T105 WeakPolarHBondContact O-CB 3.35Å; I101-T105 PolarHBondContact O-N 2.87Å; T105-G169 VanDerWaalsContact O-CA 3.32Å; T105-G169 WeakPolarHBondContact O-CA 3.39Å |
| 106 | N | 90.4 | Very high | 92.8 | Very high | 117 Ų | 117 | 49.3 Ų | 49.3 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 25.8 | -178.4 | -66.5 | -21.8 | 0 | 0 | 0 | 113.5 | I101 G108 | I101-N106 PolarHBondContact O-N 3.47Å; N106-G108 PolarHBondContact O-N 2.94Å |
| 107 | A | 86.8 | Confident | 92.9 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | trans | -72 | -5.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | V104 V112 | V104-A107 WeakPolarHBondContact O-CB 3.34Å; A107-V112 HydrophobicContact CB-CG2 3.34Å | ||
| 108 | G | 87.2 | Confident | 93 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 43% | 0.433 | 26% | 0.26 | S | S | . | . | trans | 76.7 | -155.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N106 T110 S168 | N106-G108 PolarHBondContact O-N 2.94Å; G108-T110 PolarHBondContact O-N 2.88Å; G108-S168 WeakPolarHBondContact O-CA 3.46Å; G108-S168 PolarHBondContact O-N 3.32Å | ||
| 109 | D | 89.3 | Confident | 93.1 | Very high | 126 Ų | 126 | 47.4 Ų | 47.4 | 67% | 0.674 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -83.2 | 65.8 | 175.9 | -171 | 30.2 | 0 | 0 | 0 | 111 | K167 | D109-K167 WeakPolarHBondContact OD1-CE 3.34Å; D109-K167 IonicContact OD1-NZ 2.72Å |
| 110 | T | 91.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -142.3 | 142.4 | 176.1 | -57.8 | 0 | 0 | 0 | 0 | 108.5 | F89 G108 T140 | F89-T110 HydrophobicContact CD2-CG2 4.21Å; F89-T110 HydrophobicContact CE2-CG2 3.36Å; F89-T110 HydrophobicContact CZ-CG2 3.93Å; G108-T110 PolarHBondContact O-N 2.88Å; T110-T140 WeakPolarHBondContact CG2-O 3.45Å |
| 111 | F | 95.6 | Very high | 92.8 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 20% | 0.197 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 131.4 | 170.3 | -73.7 | -79.7 | 0 | 0 | 0 | 111.4 | V141 K142 I165 Y166 K167 G199 V200 | F111-V141 HydrophobicContact CB-CG1 4.17Å; F111-K142 PolarHBondContact O-N 3.44Å; F111-I165 HydrophobicContact CD1-CG2 4.43Å; F111-Y166 WeakPolarHBondContact CA-O 3.38Å; F111-K167 HydrophobicContact CD1-CB 3.89Å; F111-K167 HydrophobicContact CD1-CD 4.26Å; F111-K167 HydrophobicContact CD1-CG 4.21Å; F111-K167 HydrophobicContact CE1-CB 3.93Å; F111-K167 HydrophobicContact CE1-CD 3.71Å; F111-K167 HydrophobicContact CE1-CG 4.14Å; F111-K167 HydrophobicContact CE2-CD 4.16Å; F111-K167 HydrophobicContact CZ-CD 3.67Å; F111-K167 HydrophobicContact CZ-CG 4.47Å; F111-G199 VanDerWaalsContact CE2-O 3.31Å; F111-G199 WeakPolarHBondContact CE2-O 3.38Å; F111-G199 WeakPolarHBondContact CZ-O 3.47Å; F111-V200 HydrophobicContact CB-CG1 3.9Å; F111-V200 HydrophobicContact CD1-CB 4.38Å; F111-V200 HydrophobicContact CD1-CG1 4.21Å; F111-V200 HydrophobicContact CD1-CG2 4.11Å; F111-V200 HydrophobicContact CE1-CG2 4.2Å; F111-V200 HydrophobicContact CG-CB 4.48Å; F111-V200 HydrophobicContact CG-CG1 4.06Å |
| 112 | V | 96.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 120.7 | 173.7 | -172.9 | 0 | 0 | 0 | 0 | 108.6 | V104 A107 I114 K142 L144 I165 Y166 | V104-V112 HydrophobicContact CG1-CG1 4.46Å; V104-V112 HydrophobicContact CG2-CG1 4.43Å; A107-V112 HydrophobicContact CB-CG2 3.34Å; V112-I114 HydrophobicContact CG1-CD1 4.38Å; V112-I114 HydrophobicContact CG1-CG1 3.95Å; V112-K142 CarbonylContact C-O 3.37Å; V112-K142 WeakPolarHBondContact CA-O 3.49Å; V112-K142 HydrophobicContact CG1-CB 4.48Å; V112-K142 HydrophobicContact CG1-CD 4.36Å; V112-K142 HydrophobicContact CG1-CG 4.45Å; V112-K142 HydrophobicContact CG2-CB 4.24Å; V112-K142 HydrophobicContact CG2-CD 4.09Å; V112-L144 HydrophobicContact CG1-CD1 3.57Å; V112-L144 HydrophobicContact CG1-CG 4.1Å; V112-I165 WeakPolarHBondContact O-CA 3.42Å; V112-Y166 PolarHBondContact N-O 2.78Å; V112-Y166 PolarHBondContact O-N 3.34Å |
| 113 | V | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.6 | 179.1 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | F131 V141 K142 F143 L144 I163 I165 L195 V200 | V113-F131 HydrophobicContact CG1-CE1 3.96Å; V113-F131 HydrophobicContact CG1-CZ 3.73Å; V113-V141 HydrophobicContact CG2-CG1 3.75Å; V113-K142 PolarHBondContact N-O 2.97Å; V113-F143 HydrophobicContact CB-CD1 3.99Å; V113-F143 HydrophobicContact CB-CE1 4.08Å; V113-F143 HydrophobicContact CG1-CD1 4.25Å; V113-F143 HydrophobicContact CG1-CE1 4.2Å; V113-F143 HydrophobicContact CG2-CE1 4.39Å; V113-F143 CarbonylContact O-C 3.54Å; V113-F143 WeakPolarHBondContact O-CA 3.31Å; V113-L144 PolarHBondContact O-N 3.24Å; V113-I163 HydrophobicContact CG1-CG2 3.74Å; V113-I165 HydrophobicContact CG1-CG1 4.38Å; V113-I165 HydrophobicContact CG2-CG1 4.48Å; V113-L195 HydrophobicContact CG1-CD2 4.11Å; V113-L195 HydrophobicContact CG2-CD2 4.23Å; V113-V200 HydrophobicContact CG2-CG1 3.58Å |
| 114 | I | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.7 | -173.2 | -46.5 | 174 | 0 | 0 | 0 | 109.2 | V95 W100 V104 V112 V116 L144 I163 L164 Y166 | V95-I114 HydrophobicContact CG1-CG2 4.32Å; W100-I114 HydrophobicContact CE3-CD1 4.49Å; W100-I114 HydrophobicContact CH2-CB 4.49Å; W100-I114 HydrophobicContact CH2-CD1 3.42Å; W100-I114 VanDerWaalsContact CH2-CD1 3.42Å; W100-I114 HydrophobicContact CH2-CG2 4.04Å; W100-I114 HydrophobicContact CZ2-CD1 3.56Å; W100-I114 HydrophobicContact CZ3-CD1 3.92Å; W100-I114 HydrophobicContact CZ3-CG2 4Å; V104-I114 HydrophobicContact CB-CD1 4.1Å; V104-I114 HydrophobicContact CG1-CD1 3.61Å; V104-I114 HydrophobicContact CG2-CD1 3.32Å; V104-I114 HydrophobicContact CG2-CG1 4.33Å; V112-I114 HydrophobicContact CG1-CD1 4.38Å; V112-I114 HydrophobicContact CG1-CG1 3.95Å; I114-V116 HydrophobicContact CG2-CG2 4.17Å; I114-L144 WeakPolarHBondContact CA-O 3.33Å; I114-L144 HydrophobicContact CB-CB 4.49Å; I114-L144 HydrophobicContact CG1-CB 4.18Å; I114-L144 HydrophobicContact CG1-CD1 4.35Å; I114-L144 HydrophobicContact CG2-CB 4.25Å; I114-I163 CarbonylContact O-C 3.48Å; I114-I163 VanDerWaalsContact O-CA 3.32Å; I114-I163 WeakPolarHBondContact O-CA 3.48Å; I114-L164 HydrophobicContact CB-CB 4.47Å; I114-L164 PolarHBondContact N-O 3.26Å; I114-L164 PolarHBondContact O-N 2.86Å; I114-Y166 HydrophobicContact CD1-CD2 3.89Å; I114-Y166 HydrophobicContact CD1-CE2 3.87Å |
| 115 | H | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 111.9 | 165.8 | 173.5 | -139.3 | 0 | 0 | 0 | 109.3 | C124 I127 D128 F131 L144 R145 G146 P161 S162 | H115-C124 PolarHBondContact CE1-O 2.8Å; H115-C124 VanDerWaalsContact CE1-O 3.23Å; H115-I127 HydrophobicContact CB-CG2 4.29Å; H115-D128 IonicContact CE1-OD1 2.65Å; H115-D128 PolarHBondContact CE1-OD1 3.11Å; H115-D128 VanDerWaalsContact CE1-OD1 3.26Å; H115-D128 IonicContact CG-OD1 2.68Å; H115-D128 IonicContact ND1-OD1 3.54Å; H115-D128 PolarHBondContact ND1-OD1 2.87Å; H115-F131 HydrophobicContact CB-CD1 3.89Å; H115-F131 HydrophobicContact CB-CD2 4.48Å; H115-F131 HydrophobicContact CB-CE1 3.48Å; H115-F131 VanDerWaalsContact CB-CE1 3.48Å; H115-F131 HydrophobicContact CB-CE2 4.1Å; H115-F131 HydrophobicContact CB-CG 4.39Å; H115-F131 HydrophobicContact CB-CZ 3.6Å; H115-L144 PolarHBondContact N-O 3.13Å; H115-R145 CarbonylContact O-C 3.57Å; H115-R145 WeakPolarHBondContact O-CA 3.25Å; H115-G146 PolarHBondContact O-N 3.48Å; H115-P161 WeakPolarHBondContact NE2-CB 3.35Å; H115-S162 CarbonylContact C-O 3.53Å; H115-S162 WeakPolarHBondContact CA-O 3.49Å |
| 116 | V | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.8 | 169.8 | -177 | 0 | 0 | 0 | 0 | 108 | W100 I114 G146 A148 L160 S162 L164 | W100-V116 HydrophobicContact CH2-CG2 4.39Å; I114-V116 HydrophobicContact CG2-CG2 4.17Å; V116-G146 WeakPolarHBondContact CA-O 3.35Å; V116-A148 HydrophobicContact CG1-CB 3.93Å; V116-L160 HydrophobicContact CG1-CD2 4.45Å; V116-S162 PolarHBondContact N-O 2.9Å; V116-S162 PolarHBondContact O-N 3.49Å; V116-L164 HydrophobicContact CG2-CD1 3.94Å; V116-L164 HydrophobicContact CG2-CG 4.4Å |
| 117 | G | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 169.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112 | G146 E147 A148 | G117-G146 PolarHBondContact N-O 3.38Å; G117-E147 WeakPolarHBondContact O-CA 3.28Å; G117-A148 PolarHBondContact O-N 3.26Å |
| 118 | E | 95.6 | Very high | 94.4 | Very high | 81 Ų | 81 | 39.2 Ų | 39.2 | 38% | 0.379 | 25% | 0.246 | S | C | . | . | trans | -119.1 | 140.8 | 173.6 | -174.2 | 173.2 | -165.1 | 0 | 0 | 110.3 | H121 E147 L160 | E118-H121 PolarHBondContact O-N 3.46Å; E118-E147 VanDerWaalsContact CA-OE1 3.31Å; E118-E147 WeakPolarHBondContact CA-OE1 3.5Å; E118-L160 HydrophobicContact CB-CD1 3.57Å | ||
| 119 | K | 92.6 | Very high | 94.8 | Very high | 140 Ų | 140 | 41.4 Ų | 41.4 | 61% | 0.609 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 139.4 | 175.5 | -67 | 179.3 | -174.3 | -178.9 | 0 | 110.5 | H121 E147 | K119-H121 VanDerWaalsContact C-N 3.33Å; K119-E147 WeakPolarHBondContact CE-OE2 3.42Å; K119-E147 PolarHBondContact N-OE1 2.89Å |
| 120 | G | 89.8 | Confident | 95.2 | Very high | 87 Ų | 87 | 36.1 Ų | 36.1 | 90% | 0.897 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.7 | -13.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G122 | G120-G122 PolarHBondContact O-N 3.3Š|
| 121 | H | 89.8 | Confident | 95.5 | Very high | 64 Ų | 64 | 34.4 Ų | 34.4 | 30% | 0.296 | 21% | 0.206 | S | C | . | . | trans | -79.8 | 118.1 | 171.4 | -168 | -98 | 0 | 0 | 0 | 110.5 | E118 K119 L123 C124 S125 | E118-H121 PolarHBondContact O-N 3.46Å; K119-H121 VanDerWaalsContact C-N 3.33Å; H121-L123 VanDerWaalsContact C-N 3.33Å; H121-L123 PolarHBondContact O-N 3.1Å; H121-C124 HydrophobicContact CB-CB 4Å; H121-C124 PolarHBondContact ND1-SG 2.66Å; H121-C124 WeakPolarHBondContact O-CB 3.32Å; H121-C124 PolarHBondContact O-N 3Å; H121-S125 PolarHBondContact O-N 3.09Å | ||
| 122 | G | 92.3 | Very high | 95.6 | Very high | 59 Ų | 59 | 38.1 Ų | 38.1 | 61% | 0.608 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -55.8 | -42.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G120 S125 L126 | G120-G122 PolarHBondContact O-N 3.3Å; G122-S125 PolarHBondContact O-N 3.46Å; G122-L126 PolarHBondContact O-N 2.82Å |
| 123 | L | 94.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70 | -32.6 | 178.9 | -170.7 | 54.9 | 0 | 0 | 0 | 112.6 | H121 L126 I127 P161 P178 V186 | H121-L123 VanDerWaalsContact C-N 3.33Å; H121-L123 PolarHBondContact O-N 3.1Å; L123-L126 HydrophobicContact CD1-CD2 4.01Å; L123-L126 PolarHBondContact O-N 3.09Å; L123-I127 HydrophobicContact CG-CD1 4.24Å; L123-I127 WeakPolarHBondContact O-CG1 3Å; L123-I127 PolarHBondContact O-N 3Å; L123-P161 HydrophobicContact CB-CG 4.16Å; L123-P161 HydrophobicContact CD2-CG 3.75Å; L123-P161 HydrophobicContact CG-CG 3.62Å; L123-P178 HydrophobicContact CD2-CB 3.6Å; L123-P178 HydrophobicContact CD2-CG 4.04Å; L123-V186 HydrophobicContact CD1-CG1 3.99Å |
| 124 | C | 96.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 174.5 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | H115 H121 L126 I127 D128 | H115-C124 PolarHBondContact CE1-O 2.8Å; H115-C124 VanDerWaalsContact CE1-O 3.23Å; H121-C124 HydrophobicContact CB-CB 4Å; H121-C124 PolarHBondContact ND1-SG 2.66Å; H121-C124 WeakPolarHBondContact O-CB 3.32Å; H121-C124 PolarHBondContact O-N 3Å; C124-L126 VanDerWaalsContact C-N 3.3Å; C124-L126 PolarHBondContact O-N 3.06Å; C124-I127 PolarHBondContact O-N 2.72Å; C124-D128 VanDerWaalsContact O-CG 3.31Å; C124-D128 PolarHBondContact O-N 3.21Å |
| 125 | S | 95.6 | Very high | 95.5 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 41% | 0.413 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.6 | -38.9 | 176.4 | -168.9 | 0 | 0 | 0 | 0 | 112.4 | H121 G122 D128 Q129 | H121-S125 PolarHBondContact O-N 3.09Å; G122-S125 PolarHBondContact O-N 3.46Å; S125-D128 PolarHBondContact O-N 3.15Å; S125-Q129 WeakPolarHBondContact O-CG 3.45Å; S125-Q129 PolarHBondContact O-N 3.42Å; S125-Q129 VanDerWaalsContact O-N 3.16Å |
| 126 | L | 96 | Very high | 95.3 | Very high | 46 Ų | 46 | 50.8 Ų | 50.8 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 174.8 | -178 | 63 | 0 | 0 | 0 | 111.4 | G122 L123 C124 D128 Q129 H130 V186 | G122-L126 PolarHBondContact O-N 2.82Å; L123-L126 HydrophobicContact CD1-CD2 4.01Å; L123-L126 PolarHBondContact O-N 3.09Å; C124-L126 VanDerWaalsContact C-N 3.3Å; C124-L126 PolarHBondContact O-N 3.06Å; L126-D128 PolarHBondContact O-N 3.26Å; L126-Q129 WeakPolarHBondContact O-CB 3.48Å; L126-Q129 PolarHBondContact O-N 2.87Å; L126-H130 PolarHBondContact O-CD2 3.46Å; L126-H130 PolarHBondContact O-N 3.4Å; L126-H130 VanDerWaalsContact O-N 3.12Å; L126-V186 HydrophobicContact CD2-CG1 4.26Å |
| 127 | I | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 178.1 | -68.1 | 163.5 | 0 | 0 | 0 | 111.3 | H115 L123 C124 Q129 H130 F131 P161 I163 I181 V186 | H115-I127 HydrophobicContact CB-CG2 4.29Å; L123-I127 HydrophobicContact CG-CD1 4.24Å; L123-I127 WeakPolarHBondContact O-CG1 3Å; L123-I127 PolarHBondContact O-N 3Å; C124-I127 PolarHBondContact O-N 2.72Å; I127-Q129 PolarHBondContact O-N 3.47Å; I127-H130 CarbonylContact O-C 3.58Å; I127-H130 PolarHBondContact O-N 3.3Å; I127-H130 VanDerWaalsContact O-N 3.08Å; I127-F131 HydrophobicContact CG2-CD2 3.51Å; I127-F131 HydrophobicContact CG2-CE2 3.5Å; I127-F131 VanDerWaalsContact CG2-CE2 3.5Å; I127-F131 HydrophobicContact CG2-CG 4.47Å; I127-F131 HydrophobicContact CG2-CZ 4.46Å; I127-F131 WeakPolarHBondContact O-CB 3.42Å; I127-F131 WeakPolarHBondContact O-CD2 3.29Å; I127-F131 PolarHBondContact O-N 2.8Å; I127-P161 HydrophobicContact CD1-CB 3.42Å; I127-P161 VanDerWaalsContact CD1-CB 3.42Å; I127-P161 HydrophobicContact CD1-CG 3.16Å; I127-I163 HydrophobicContact CG2-CD1 4.4Å; I127-I181 HydrophobicContact CD1-CD1 3.92Å; I127-I181 HydrophobicContact CD1-CG2 3.74Å; I127-I181 HydrophobicContact CG1-CG2 4.3Å; I127-V186 HydrophobicContact CG1-CG1 4.29Å |
| 128 | D | 96.8 | Very high | 95.1 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.4 | -37.9 | 174.3 | -71.6 | -29.9 | 0 | 0 | 0 | 111.9 | H115 C124 S125 L126 R132 | H115-D128 IonicContact CE1-OD1 2.65Å; H115-D128 PolarHBondContact CE1-OD1 3.11Å; H115-D128 VanDerWaalsContact CE1-OD1 3.26Å; H115-D128 IonicContact CG-OD1 2.68Å; H115-D128 IonicContact ND1-OD1 3.54Å; H115-D128 PolarHBondContact ND1-OD1 2.87Å; C124-D128 VanDerWaalsContact O-CG 3.31Å; C124-D128 PolarHBondContact O-N 3.21Å; S125-D128 PolarHBondContact O-N 3.15Å; L126-D128 PolarHBondContact O-N 3.26Å; D128-R132 WeakPolarHBondContact O-CG 3.1Å; D128-R132 PolarHBondContact O-N 3.37Å; D128-R132 VanDerWaalsContact O-N 3.13Å |
| 129 | Q | 96.5 | Very high | 95 | Very high | 89 Ų | 89 | 55.2 Ų | 55.2 | 42% | 0.416 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 174.3 | -67.5 | 177.3 | 20.8 | 0 | 0 | 112 | S125 L126 I127 R132 K133 | S125-Q129 WeakPolarHBondContact O-CG 3.45Å; S125-Q129 PolarHBondContact O-N 3.42Å; S125-Q129 VanDerWaalsContact O-N 3.16Å; L126-Q129 WeakPolarHBondContact O-CB 3.48Å; L126-Q129 PolarHBondContact O-N 2.87Å; I127-Q129 PolarHBondContact O-N 3.47Å; Q129-R132 VanDerWaalsContact CG-NH2 3.35Å; Q129-R132 PolarHBondContact O-N 3.34Å; Q129-K133 PolarHBondContact O-N 2.82Å |
| 130 | H | 96.8 | Very high | 95 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 7% | 0.065 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 177.3 | -61.4 | -29.9 | 0 | 0 | 0 | 111.5 | L126 I127 R132 K133 L134 V186 S188 L191 | L126-H130 PolarHBondContact O-CD2 3.46Å; L126-H130 PolarHBondContact O-N 3.4Å; L126-H130 VanDerWaalsContact O-N 3.12Å; I127-H130 CarbonylContact O-C 3.58Å; I127-H130 PolarHBondContact O-N 3.3Å; I127-H130 VanDerWaalsContact O-N 3.08Å; H130-R132 VanDerWaalsContact C-N 3.32Å; H130-R132 PolarHBondContact O-N 3.14Å; H130-K133 WeakPolarHBondContact O-CB 3.37Å; H130-K133 PolarHBondContact O-N 3.43Å; H130-K133 VanDerWaalsContact O-N 3.11Å; H130-L134 VanDerWaalsContact O-CG 3.32Å; H130-L134 WeakPolarHBondContact O-CG 2.98Å; H130-L134 PolarHBondContact O-N 3.33Å; H130-V186 PolarHBondContact NE2-O 2.88Å; H130-S188 PolarHBondContact CE1-N 2.93Å; H130-S188 WeakPolarHBondContact ND1-CB 3.45Å; H130-L191 HydrophobicContact CB-CD2 4.02Å |
| 131 | F | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58 | -42.2 | 175.9 | -94.3 | -126.2 | 0 | 0 | 0 | 111.7 | V92 V113 H115 I127 K133 L134 A135 F143 I163 L191 | V92-F131 VanDerWaalsContact CG2-C 3.46Å; V92-F131 HydrophobicContact CG2-CB 3.89Å; V92-F131 WeakPolarHBondContact CG2-O 3.42Å; V113-F131 HydrophobicContact CG1-CE1 3.96Å; V113-F131 HydrophobicContact CG1-CZ 3.73Å; H115-F131 HydrophobicContact CB-CD1 3.89Å; H115-F131 HydrophobicContact CB-CD2 4.48Å; H115-F131 HydrophobicContact CB-CE1 3.48Å; H115-F131 VanDerWaalsContact CB-CE1 3.48Å; H115-F131 HydrophobicContact CB-CE2 4.1Å; H115-F131 HydrophobicContact CB-CG 4.39Å; H115-F131 HydrophobicContact CB-CZ 3.6Å; I127-F131 HydrophobicContact CG2-CD2 3.51Å; I127-F131 HydrophobicContact CG2-CE2 3.5Å; I127-F131 VanDerWaalsContact CG2-CE2 3.5Å; I127-F131 HydrophobicContact CG2-CG 4.47Å; I127-F131 HydrophobicContact CG2-CZ 4.46Å; I127-F131 WeakPolarHBondContact O-CB 3.42Å; I127-F131 WeakPolarHBondContact O-CD2 3.29Å; I127-F131 PolarHBondContact O-N 2.8Å; F131-K133 VanDerWaalsContact C-N 3.33Å; F131-K133 PolarHBondContact O-N 3.42Å; F131-L134 PolarHBondContact O-N 3.26Å; F131-A135 VanDerWaalsContact O-CB 3.29Å; F131-A135 WeakPolarHBondContact O-CB 3.27Å; F131-A135 PolarHBondContact O-N 3.06Å; F131-F143 HydrophobicContact CD1-CB 4.25Å; F131-F143 AromaticContact CD1-CD1 3.74Å; F131-F143 HydrophobicContact CD1-CD1 3.74Å; F131-F143 HydrophobicContact CD1-CG 4.47Å; F131-F143 AromaticContact CE1-CD1 3.88Å; F131-F143 HydrophobicContact CE1-CD1 3.88Å; F131-F143 HydrophobicContact CG-CD1 4.22Å; F131-F143 HydrophobicContact CZ-CD1 4.49Å; F131-I163 HydrophobicContact CE2-CD1 3.86Å; F131-I163 HydrophobicContact CE2-CG1 4.26Å; F131-I163 HydrophobicContact CZ-CD1 4.16Å; F131-I163 HydrophobicContact CZ-CG1 4.13Å; F131-I163 HydrophobicContact CZ-CG2 4.2Å; F131-L191 HydrophobicContact CD2-CD2 3.82Å; F131-L191 HydrophobicContact CE2-CD2 3.72Å |
| 132 | R | 97.4 | Very high | 95.6 | Very high | 123 Ų | 123 | 45.5 Ų | 45.5 | 46% | 0.464 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.2 | -42.1 | 175.4 | -76.2 | -174.7 | -72.8 | -91.8 | 1.8 | 112.5 | V92 D128 Q129 H130 Q136 | V92-R132 HydrophobicContact CG2-CG 4.05Å; D128-R132 WeakPolarHBondContact O-CG 3.1Å; D128-R132 PolarHBondContact O-N 3.37Å; D128-R132 VanDerWaalsContact O-N 3.13Å; Q129-R132 VanDerWaalsContact CG-NH2 3.35Å; Q129-R132 PolarHBondContact O-N 3.34Å; H130-R132 VanDerWaalsContact C-N 3.32Å; H130-R132 PolarHBondContact O-N 3.14Å; R132-Q136 WeakPolarHBondContact O-CG 3.35Å; R132-Q136 PolarHBondContact O-N 3.19Å |
| 133 | K | 96.6 | Very high | 95.8 | Very high | 117 Ų | 117 | 42.8 Ų | 42.8 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.3 | -42.7 | 176.9 | -66.7 | 173.4 | -177.4 | 172.2 | 0 | 111.6 | Q129 H130 F131 K137 | Q129-K133 PolarHBondContact O-N 2.82Å; H130-K133 WeakPolarHBondContact O-CB 3.37Å; H130-K133 PolarHBondContact O-N 3.43Å; H130-K133 VanDerWaalsContact O-N 3.11Å; F131-K133 VanDerWaalsContact C-N 3.33Å; F131-K133 PolarHBondContact O-N 3.42Å; K133-K137 WeakPolarHBondContact O-CB 3.43Å; K133-K137 PolarHBondContact O-N 3.34Å; K133-K137 VanDerWaalsContact O-N 3.14Å |
| 134 | L | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.9 | -40.7 | 179.6 | -68.1 | 173.6 | 0 | 0 | 0 | 112 | H130 F131 Q136 K137 F138 F143 L191 E192 L195 | H130-L134 VanDerWaalsContact O-CG 3.32Å; H130-L134 WeakPolarHBondContact O-CG 2.98Å; H130-L134 PolarHBondContact O-N 3.33Å; F131-L134 PolarHBondContact O-N 3.26Å; L134-Q136 VanDerWaalsContact C-N 3.33Å; L134-Q136 PolarHBondContact O-N 3.02Å; L134-K137 PolarHBondContact O-N 3.4Å; L134-K137 VanDerWaalsContact O-N 3.15Å; L134-F138 HydrophobicContact CD2-CD2 4.16Å; L134-F138 HydrophobicContact CD2-CE2 3.91Å; L134-F138 WeakPolarHBondContact O-CD2 3.34Å; L134-F138 PolarHBondContact O-N 3.4Å; L134-F143 HydrophobicContact CB-CE1 3.96Å; L134-F143 HydrophobicContact CB-CE2 4.3Å; L134-F143 HydrophobicContact CB-CZ 3.75Å; L134-F143 HydrophobicContact CD1-CE1 4.4Å; L134-L191 HydrophobicContact CD1-CB 4.28Å; L134-L191 HydrophobicContact CD1-CD2 3.55Å; L134-L191 HydrophobicContact CD1-CG 3.72Å; L134-E192 HydrophobicContact CD2-CB 3.79Å; L134-E192 HydrophobicContact CD2-CG 4.17Å; L134-L195 HydrophobicContact CD1-CD1 4.17Å |
| 135 | A | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G90 V92 F131 K137 F138 F143 | G90-A135 CarbonylContact C-O 3.58Å; G90-A135 VanDerWaalsContact CA-O 3.27Å; G90-A135 WeakPolarHBondContact CA-O 3.38Å; G90-A135 CarbonylContact O-C 3.54Å; V92-A135 HydrophobicContact CG2-CB 3.8Å; F131-A135 VanDerWaalsContact O-CB 3.29Å; F131-A135 WeakPolarHBondContact O-CB 3.27Å; F131-A135 PolarHBondContact O-N 3.06Å; A135-K137 VanDerWaalsContact C-N 3.33Å; A135-F138 CarbonylContact O-C 3.37Å; A135-F143 HydrophobicContact CB-CB 3.98Å; A135-F143 HydrophobicContact CB-CD2 3.77Å; A135-F143 HydrophobicContact CB-CG 4.06Å |
| 136 | Q | 95.1 | Very high | 96 | Very high | 150 Ų | 150 | 40.2 Ų | 40.2 | 70% | 0.701 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -66.9 | -36.1 | 175.6 | -70.6 | 176 | 2.3 | 0 | 0 | 112.3 | G90 R132 L134 | G90-Q136 WeakPolarHBondContact O-CG 3.49Å; G90-Q136 PolarHBondContact O-N 3.46Å; R132-Q136 WeakPolarHBondContact O-CG 3.35Å; R132-Q136 PolarHBondContact O-N 3.19Å; L134-Q136 VanDerWaalsContact C-N 3.33Å; L134-Q136 PolarHBondContact O-N 3.02Å |
| 137 | K | 94.1 | Very high | 96 | Very high | 117 Ų | 117 | 39 Ų | 39 | 51% | 0.509 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -77.8 | -32.2 | -178.2 | -174.4 | 173.9 | 171.2 | -173.8 | 0 | 113 | K133 L134 A135 P139 E192 | K133-K137 WeakPolarHBondContact O-CB 3.43Å; K133-K137 PolarHBondContact O-N 3.34Å; K133-K137 VanDerWaalsContact O-N 3.14Å; L134-K137 PolarHBondContact O-N 3.4Å; L134-K137 VanDerWaalsContact O-N 3.15Å; A135-K137 VanDerWaalsContact C-N 3.33Å; K137-P139 VanDerWaalsContact C-CD 3.45Å; K137-P139 WeakPolarHBondContact O-CD 3.44Å; K137-E192 IonicContact NZ-OE1 3.57Å; K137-E192 PolarHBondContact NZ-OE1 3.5Å; K137-E192 IonicContact NZ-OE2 3.16Å; K137-E192 PolarHBondContact NZ-OE2 2.96Å |
| 138 | F | 94.8 | Very high | 95.9 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | trans | -123.7 | 72.4 | -175.1 | -59.5 | -73.6 | 0 | 0 | 0 | 110.7 | L134 A135 T140 V141 F143 E192 L201 E202 | L134-F138 HydrophobicContact CD2-CD2 4.16Å; L134-F138 HydrophobicContact CD2-CE2 3.91Å; L134-F138 WeakPolarHBondContact O-CD2 3.34Å; L134-F138 PolarHBondContact O-N 3.4Å; A135-F138 CarbonylContact O-C 3.37Å; F138-T140 PolarHBondContact O-N 3.36Å; F138-V141 PolarHBondContact O-N 3.15Å; F138-V141 VanDerWaalsContact O-N 3.09Å; F138-F143 HydrophobicContact CB-CE2 4.32Å; F138-E192 HydrophobicContact CE2-CG 3.78Å; F138-E192 HydrophobicContact CZ-CG 3.87Å; F138-E192 WeakPolarHBondContact CZ-OE1 3.37Å; F138-L201 HydrophobicContact CD1-CB 4.06Å; F138-L201 HydrophobicContact CD1-CD1 4.43Å; F138-L201 HydrophobicContact CD2-CD2 3.84Å; F138-L201 HydrophobicContact CE1-CB 4.37Å; F138-L201 HydrophobicContact CE1-CD1 3.91Å; F138-L201 HydrophobicContact CE2-CD1 4.18Å; F138-L201 HydrophobicContact CE2-CD2 3.91Å; F138-L201 HydrophobicContact CG-CB 4.23Å; F138-L201 HydrophobicContact CG-CD2 4.18Å; F138-L201 HydrophobicContact CZ-CD1 3.76Å; F138-L201 HydrophobicContact CZ-CD2 4.31Å; F138-E202 WeakPolarHBondContact CE1-O 3.41Å | ||
| 139 | P | 93.4 | Very high | 95.7 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 26% | 0.26 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -6.5 | -179.5 | 29.7 | -37.5 | 0 | 0 | 0 | 113.5 | A87 R88 F89 K137 V141 | A87-P139 CarbonylContact C-O 3.55Å; A87-P139 WeakPolarHBondContact CA-O 3.28Å; A87-P139 HydrophobicContact CB-CB 4.02Å; A87-P139 HydrophobicContact CB-CG 3.81Å; R88-P139 PolarHBondContact N-O 2.77Å; F89-P139 WeakPolarHBondContact CA-O 3.22Å; F89-P139 VanDerWaalsContact CB-O 3.29Å; F89-P139 WeakPolarHBondContact CB-O 3.19Å; F89-P139 WeakPolarHBondContact CD2-O 3.41Å; F89-P139 PolarHBondContact N-O 3.33Å; F89-P139 WeakPolarHBondContact O-CA 3.32Å; F89-P139 WeakPolarHBondContact O-CB 3.31Å; K137-P139 VanDerWaalsContact C-CD 3.45Å; K137-P139 WeakPolarHBondContact O-CD 3.44Å; P139-V141 VanDerWaalsContact C-N 3.33Å |
| 140 | T | 92.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 42.4 Ų | 42.4 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -14.3 | 174 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | K86 A87 T110 F138 | K86-T140 HydrophobicContact CB-CG2 4.14Å; K86-T140 WeakPolarHBondContact O-CA 3.39Å; A87-T140 HydrophobicContact CB-CG2 4.3Å; T110-T140 WeakPolarHBondContact CG2-O 3.45Å; F138-T140 PolarHBondContact O-N 3.36Å |
| 141 | V | 95 | Very high | 95.4 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -113.3 | 136.1 | -177.5 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | F89 F111 V113 F138 P139 F143 V200 L201 | F89-V141 WeakPolarHBondContact CB-O 3.37Å; F111-V141 HydrophobicContact CB-CG1 4.17Å; V113-V141 HydrophobicContact CG2-CG1 3.75Å; F138-V141 PolarHBondContact O-N 3.15Å; F138-V141 VanDerWaalsContact O-N 3.09Å; P139-V141 VanDerWaalsContact C-N 3.33Å; V141-F143 HydrophobicContact CB-CD2 4.33Å; V141-F143 HydrophobicContact CB-CE2 3.76Å; V141-F143 HydrophobicContact CB-CZ 4.35Å; V141-F143 HydrophobicContact CG1-CD2 4.2Å; V141-F143 HydrophobicContact CG1-CE2 3.77Å; V141-F143 HydrophobicContact CG1-CZ 4.03Å; V141-F143 WeakPolarHBondContact O-CD2 3.43Å; V141-F143 PolarHBondContact O-N 3.45Å; V141-V200 HydrophobicContact CG1-CG1 4.05Å; V141-V200 HydrophobicContact CG2-CG1 4.45Å; V141-V200 WeakPolarHBondContact CG2-O 3.21Å; V141-L201 HydrophobicContact CG2-CB 4.21Å |
| 142 | K | 96.1 | Very high | 95.1 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 10% | 0.104 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 107.9 | 179.1 | -171.6 | 177.9 | -170.8 | 179.7 | 0 | 110.4 | F89 E103 F111 V112 V113 L144 | F89-K142 HydrophobicContact CD1-CB 3.77Å; F89-K142 HydrophobicContact CD1-CD 4.22Å; F89-K142 HydrophobicContact CD1-CG 3.66Å; F89-K142 HydrophobicContact CD2-CB 4.16Å; F89-K142 HydrophobicContact CE1-CB 3.68Å; F89-K142 HydrophobicContact CE1-CD 3.57Å; F89-K142 HydrophobicContact CE1-CG 3.53Å; F89-K142 HydrophobicContact CE2-CB 4.11Å; F89-K142 HydrophobicContact CG-CB 4Å; F89-K142 HydrophobicContact CG-CG 4.36Å; F89-K142 HydrophobicContact CZ-CB 3.85Å; F89-K142 HydrophobicContact CZ-CD 4.05Å; F89-K142 HydrophobicContact CZ-CG 4.16Å; E103-K142 PolarHBondContact O-NZ 2.89Å; E103-K142 WeakPolarHBondContact OE2-CE 3.4Å; E103-K142 IonicContact OE2-NZ 2.66Å; E103-K142 PolarHBondContact OE2-NZ 3.21Å; F111-K142 PolarHBondContact O-N 3.44Å; V112-K142 CarbonylContact C-O 3.37Å; V112-K142 WeakPolarHBondContact CA-O 3.49Å; V112-K142 HydrophobicContact CG1-CB 4.48Å; V112-K142 HydrophobicContact CG1-CD 4.36Å; V112-K142 HydrophobicContact CG1-CG 4.45Å; V112-K142 HydrophobicContact CG2-CB 4.24Å; V112-K142 HydrophobicContact CG2-CD 4.09Å; V113-K142 PolarHBondContact N-O 2.97Å; K142-L144 HydrophobicContact CG-CD2 4.35Å; K142-L144 HydrophobicContact CG-CG 4.32Å |
| 143 | F | 97.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.3 | 174.9 | -69.6 | -91.5 | 0 | 0 | 0 | 111.1 | V92 R93 V113 F131 L134 A135 F138 V141 L195 | V92-F143 WeakPolarHBondContact CA-O 3.41Å; V92-F143 HydrophobicContact CG2-CB 4.12Å; R93-F143 PolarHBondContact N-O 3.02Å; V113-F143 HydrophobicContact CB-CD1 3.99Å; V113-F143 HydrophobicContact CB-CE1 4.08Å; V113-F143 HydrophobicContact CG1-CD1 4.25Å; V113-F143 HydrophobicContact CG1-CE1 4.2Å; V113-F143 HydrophobicContact CG2-CE1 4.39Å; V113-F143 CarbonylContact O-C 3.54Å; V113-F143 WeakPolarHBondContact O-CA 3.31Å; F131-F143 HydrophobicContact CD1-CB 4.25Å; F131-F143 AromaticContact CD1-CD1 3.74Å; F131-F143 HydrophobicContact CD1-CD1 3.74Å; F131-F143 HydrophobicContact CD1-CG 4.47Å; F131-F143 AromaticContact CE1-CD1 3.88Å; F131-F143 HydrophobicContact CE1-CD1 3.88Å; F131-F143 HydrophobicContact CG-CD1 4.22Å; F131-F143 HydrophobicContact CZ-CD1 4.49Å; L134-F143 HydrophobicContact CB-CE1 3.96Å; L134-F143 HydrophobicContact CB-CE2 4.3Å; L134-F143 HydrophobicContact CB-CZ 3.75Å; L134-F143 HydrophobicContact CD1-CE1 4.4Å; A135-F143 HydrophobicContact CB-CB 3.98Å; A135-F143 HydrophobicContact CB-CD2 3.77Å; A135-F143 HydrophobicContact CB-CG 4.06Å; F138-F143 HydrophobicContact CB-CE2 4.32Å; V141-F143 HydrophobicContact CB-CD2 4.33Å; V141-F143 HydrophobicContact CB-CE2 3.76Å; V141-F143 HydrophobicContact CB-CZ 4.35Å; V141-F143 HydrophobicContact CG1-CD2 4.2Å; V141-F143 HydrophobicContact CG1-CE2 3.77Å; V141-F143 HydrophobicContact CG1-CZ 4.03Å; V141-F143 WeakPolarHBondContact O-CD2 3.43Å; V141-F143 PolarHBondContact O-N 3.45Å; F143-L195 HydrophobicContact CE1-CD1 3.95Å; F143-L195 HydrophobicContact CZ-CD1 4.24Å |
| 144 | L | 97.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 154.6 | 178.6 | -61.6 | 177.8 | 0 | 0 | 0 | 111 | R93 V95 E103 V104 V112 V113 I114 H115 K142 | R93-L144 HydrophobicContact CB-CD2 3.8Å; R93-L144 CarbonylContact O-C 3.57Å; R93-L144 VanDerWaalsContact O-CA 3.31Å; R93-L144 WeakPolarHBondContact O-CA 3.45Å; V95-L144 HydrophobicContact CB-CD1 4.47Å; V95-L144 HydrophobicContact CG1-CB 4.27Å; E103-L144 HydrophobicContact CB-CD1 4.02Å; V104-L144 HydrophobicContact CG2-CD1 3.89Å; V112-L144 HydrophobicContact CG1-CD1 3.57Å; V112-L144 HydrophobicContact CG1-CG 4.1Å; V113-L144 PolarHBondContact O-N 3.24Å; I114-L144 WeakPolarHBondContact CA-O 3.33Å; I114-L144 HydrophobicContact CB-CB 4.49Å; I114-L144 HydrophobicContact CG1-CB 4.18Å; I114-L144 HydrophobicContact CG1-CD1 4.35Å; I114-L144 HydrophobicContact CG2-CB 4.25Å; H115-L144 PolarHBondContact N-O 3.13Å; K142-L144 HydrophobicContact CG-CD2 4.35Å; K142-L144 HydrophobicContact CG-CG 4.32Å |
| 145 | R | 97.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 5% | 0.049 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 121.6 | 173.8 | -178 | -85.9 | 170.5 | -177.3 | -4.3 | 109.2 | V92 R93 E94 V95 H115 E147 | V92-R145 HydrophobicContact CG1-CB 3.81Å; R93-R145 PolarHBondContact O-N 3.12Å; E94-R145 CarbonylContact C-O 3.58Å; E94-R145 WeakPolarHBondContact CA-O 3.44Å; V95-R145 PolarHBondContact N-O 3.2Å; H115-R145 CarbonylContact O-C 3.57Å; H115-R145 WeakPolarHBondContact O-CA 3.25Å; R145-E147 IonicContact CZ-OE2 3.98Å; R145-E147 IonicContact NH1-OE2 2.64Å; R145-E147 PolarHBondContact NH1-OE2 3.5Å; R145-E147 IonicContact NH2-OE1 2.73Å; R145-E147 IonicContact NH2-OE2 3.26Å; R145-E147 PolarHBondContact NH2-OE2 3.39Å |
| 146 | G | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H115 V116 G117 A148 C151 | H115-G146 PolarHBondContact O-N 3.48Å; V116-G146 WeakPolarHBondContact CA-O 3.35Å; G117-G146 PolarHBondContact N-O 3.38Å; G146-A148 PolarHBondContact O-N 3.05Å; G146-C151 VanDerWaalsContact CA-SG 3.56Å |
| 147 | E | 95.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 126.3 | 164.5 | -167.9 | 82.5 | -138.8 | 0 | 0 | 108.3 | G117 E118 K119 R145 S149 L150 C151 | G117-E147 WeakPolarHBondContact O-CA 3.28Å; E118-E147 VanDerWaalsContact CA-OE1 3.31Å; E118-E147 WeakPolarHBondContact CA-OE1 3.5Å; K119-E147 WeakPolarHBondContact CE-OE2 3.42Å; K119-E147 PolarHBondContact N-OE1 2.89Å; R145-E147 IonicContact CZ-OE2 3.98Å; R145-E147 IonicContact NH1-OE2 2.64Å; R145-E147 PolarHBondContact NH1-OE2 3.5Å; R145-E147 IonicContact NH2-OE1 2.73Å; R145-E147 IonicContact NH2-OE2 3.26Å; R145-E147 PolarHBondContact NH2-OE2 3.39Å; E147-S149 VanDerWaalsContact C-N 3.26Å; E147-S149 WeakPolarHBondContact CG-OG 3.29Å; E147-S149 PolarHBondContact O-N 3.3Å; E147-L150 HydrophobicContact CB-CB 3.97Å; E147-L150 HydrophobicContact CB-CD1 3.85Å; E147-L150 HydrophobicContact CB-CG 3.83Å; E147-L150 HydrophobicContact CG-CD1 4.31Å; E147-L150 HydrophobicContact CG-CG 4.09Å; E147-L150 PolarHBondContact O-N 3.16Å; E147-C151 WeakPolarHBondContact O-CB 3.4Å; E147-C151 PolarHBondContact O-N 3.42Å; E147-C151 PolarHBondContact O-SG 2.78Å |
| 148 | A | 94.8 | Very high | 94 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -50.8 | -47.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V116 G117 G146 L150 C151 I152 Y155 L160 | V116-A148 HydrophobicContact CG1-CB 3.93Å; G117-A148 PolarHBondContact O-N 3.26Å; G146-A148 PolarHBondContact O-N 3.05Å; A148-L150 VanDerWaalsContact C-N 3.34Å; A148-L150 PolarHBondContact O-N 3.13Å; A148-C151 PolarHBondContact O-N 2.88Å; A148-I152 CarbonylContact O-C 3.54Å; A148-I152 PolarHBondContact O-N 3.08Å; A148-Y155 HydrophobicContact CB-CD1 4.17Å; A148-Y155 HydrophobicContact CB-CG 4.44Å; A148-L160 HydrophobicContact CB-CD1 4.25Å; A148-L160 HydrophobicContact CB-CD2 3.84Å |
| 149 | S | 92.9 | Very high | 94 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 59% | 0.587 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67.3 | -27 | 179.7 | 59.3 | 0 | 0 | 0 | 0 | 114.7 | E147 | E147-S149 VanDerWaalsContact C-N 3.26Å; E147-S149 WeakPolarHBondContact CG-OG 3.29Å; E147-S149 PolarHBondContact O-N 3.3Å |
| 150 | L | 93.6 | Very high | 94.1 | Very high | 101 Ų | 101 | 45.5 Ų | 45.5 | 53% | 0.529 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -92.2 | -21.3 | -179.7 | -58.6 | 179 | 0 | 0 | 0 | 113.1 | K97 E147 A148 | K97-L150 WeakPolarHBondContact CB-O 3.33Å; K97-L150 PolarHBondContact N-O 2.92Å; E147-L150 HydrophobicContact CB-CB 3.97Å; E147-L150 HydrophobicContact CB-CD1 3.85Å; E147-L150 HydrophobicContact CB-CG 3.83Å; E147-L150 HydrophobicContact CG-CD1 4.31Å; E147-L150 HydrophobicContact CG-CG 4.09Å; E147-L150 PolarHBondContact O-N 3.16Å; A148-L150 VanDerWaalsContact C-N 3.34Å; A148-L150 PolarHBondContact O-N 3.13Å |
| 151 | C | 92.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -95.6 | -46.3 | 179.4 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | V95 W100 G146 E147 A148 | V95-C151 PolarHBondContact O-SG 3.42Å; W100-C151 HydrophobicContact CE3-CB 4.25Å; W100-C151 HydrophobicContact CZ3-CB 4.09Å; G146-C151 VanDerWaalsContact CA-SG 3.56Å; E147-C151 WeakPolarHBondContact O-CB 3.4Å; E147-C151 PolarHBondContact O-N 3.42Å; E147-C151 PolarHBondContact O-SG 2.78Å; A148-C151 PolarHBondContact O-N 2.88Å |
| 152 | I | 90.8 | Very high | 94.4 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -131.2 | 109.8 | -170.4 | -52.1 | 169.8 | 0 | 0 | 0 | 109.4 | A148 N154 Y155 | A148-I152 CarbonylContact O-C 3.54Å; A148-I152 PolarHBondContact O-N 3.08Å; I152-N154 PolarHBondContact O-N 3.28Å; I152-Y155 HydrophobicContact CB-CD2 3.91Å; I152-Y155 HydrophobicContact CB-CG 4.39Å; I152-Y155 HydrophobicContact CD1-CD2 3.66Å; I152-Y155 HydrophobicContact CD1-CE2 3.81Å; I152-Y155 HydrophobicContact CG1-CD2 4.39Å; I152-Y155 HydrophobicContact CG2-CD2 3.77Å; I152-Y155 PolarHBondContact O-N 3.21Å |
| 153 | P | 90.4 | Very high | 94.4 | Very high | 80 Ų | 80 | 41.5 Ų | 41.5 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 132.6 | 179 | -24 | 33.5 | 0 | 0 | 0 | 111.8 | Y155 | P153-Y155 VanDerWaalsContact C-N 3.25Å; P153-Y155 PolarHBondContact O-N 3.34Å |
| 154 | N | 91.3 | Very high | 94.4 | Very high | 162 Ų | 162 | 42 Ų | 42 | 87% | 0.866 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 32.9 | 178.3 | -52.4 | -46.3 | 0 | 0 | 0 | 114.4 | I152 P156 | I152-N154 PolarHBondContact O-N 3.28Å; N154-P156 WeakPolarHBondContact O-CD 3.21Å |
| 155 | Y | 93.2 | Very high | 94.4 | Very high | 39 Ų | 39 | 42 Ų | 42 | 15% | 0.153 | 25% | 0.245 | C | C | . | . | trans | -60.9 | 124.8 | 175.2 | -162.7 | -97.3 | 0 | 0 | 0 | 111 | A148 I152 P153 T157 N159 L160 S162 | A148-Y155 HydrophobicContact CB-CD1 4.17Å; A148-Y155 HydrophobicContact CB-CG 4.44Å; I152-Y155 HydrophobicContact CB-CD2 3.91Å; I152-Y155 HydrophobicContact CB-CG 4.39Å; I152-Y155 HydrophobicContact CD1-CD2 3.66Å; I152-Y155 HydrophobicContact CD1-CE2 3.81Å; I152-Y155 HydrophobicContact CG1-CD2 4.39Å; I152-Y155 HydrophobicContact CG2-CD2 3.77Å; I152-Y155 PolarHBondContact O-N 3.21Å; P153-Y155 VanDerWaalsContact C-N 3.25Å; P153-Y155 PolarHBondContact O-N 3.34Å; Y155-T157 PolarHBondContact O-N 3.31Å; Y155-N159 HydrophobicContact CD1-CB 4.45Å; Y155-N159 HydrophobicContact CE1-CB 3.57Å; Y155-L160 HydrophobicContact CD1-CD2 3.67Å; Y155-L160 HydrophobicContact CD1-CG 4.29Å; Y155-L160 HydrophobicContact CE1-CD2 3.65Å; Y155-L160 HydrophobicContact CE1-CG 4.37Å; Y155-S162 PolarHBondContact OH-OG 2.84Å | ||
| 156 | P | 93.6 | Very high | 94.3 | Very high | 62 Ų | 62 | 42.9 Ų | 42.9 | 40% | 0.403 | 25% | 0.249 | S | C | . | . | trans | -63.7 | 129.9 | -176.6 | -23.2 | 33.6 | 0 | 0 | 0 | 112.5 | N154 S158 N159 | N154-P156 WeakPolarHBondContact O-CD 3.21Å; P156-S158 PolarHBondContact O-N 2.83Å; P156-N159 HydrophobicContact CB-CB 4.47Å; P156-N159 WeakPolarHBondContact O-CB 3.12Å; P156-N159 PolarHBondContact O-N 2.82Å | ||
| 157 | T | 92.9 | Very high | 94.2 | Very high | 84 Ų | 84 | 46.1 Ų | 46.1 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -60.4 | -29.1 | 175.8 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | Y155 N159 L160 | Y155-T157 PolarHBondContact O-N 3.31Å; T157-N159 PolarHBondContact O-N 2.88Å; T157-L160 HydrophobicContact CG2-CD1 4.29Å; T157-L160 WeakPolarHBondContact O-CB 3.32Å; T157-L160 PolarHBondContact O-N 3.46Å |
| 158 | S | 92.9 | Very high | 94 | Very high | 93 Ų | 93 | 48.3 Ų | 48.3 | 65% | 0.65 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -60.8 | -23.9 | 175 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | P156 L160 | P156-S158 PolarHBondContact O-N 2.83Å; S158-L160 VanDerWaalsContact C-N 3.3Å |
| 159 | N | 94.9 | Very high | 93.8 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -89.8 | -0.1 | -179.8 | -70.6 | 12.8 | 0 | 0 | 0 | 111.8 | Y155 P156 T157 P161 S162 I176 G177 | Y155-N159 HydrophobicContact CD1-CB 4.45Å; Y155-N159 HydrophobicContact CE1-CB 3.57Å; P156-N159 HydrophobicContact CB-CB 4.47Å; P156-N159 WeakPolarHBondContact O-CB 3.12Å; P156-N159 PolarHBondContact O-N 2.82Å; T157-N159 PolarHBondContact O-N 2.88Å; N159-P161 CarbonylContact O-C 3.6Å; N159-P161 VanDerWaalsContact O-O 3.06Å; N159-S162 PolarHBondContact O-OG 3.04Å; N159-I176 HydrophobicContact CB-CG2 3.52Å; N159-G177 PolarHBondContact O-N 3.41Å; N159-G177 VanDerWaalsContact O-N 3.13Å |
| 160 | L | 94.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | trans | -90.1 | 143.1 | 178 | -59.6 | 179 | 0 | 0 | 0 | 111.1 | V116 E118 A148 Y155 T157 S158 P178 | V116-L160 HydrophobicContact CG1-CD2 4.45Å; E118-L160 HydrophobicContact CB-CD1 3.57Å; A148-L160 HydrophobicContact CB-CD1 4.25Å; A148-L160 HydrophobicContact CB-CD2 3.84Å; Y155-L160 HydrophobicContact CD1-CD2 3.67Å; Y155-L160 HydrophobicContact CD1-CG 4.29Å; Y155-L160 HydrophobicContact CE1-CD2 3.65Å; Y155-L160 HydrophobicContact CE1-CG 4.37Å; T157-L160 HydrophobicContact CG2-CD1 4.29Å; T157-L160 WeakPolarHBondContact O-CB 3.32Å; T157-L160 PolarHBondContact O-N 3.46Å; S158-L160 VanDerWaalsContact C-N 3.3Å; L160-P178 WeakPolarHBondContact O-CD 3.31Å | ||
| 161 | P | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | cis | -73.4 | 159.9 | -8.9 | 16.7 | -9.1 | 0 | 0 | 0 | 112 | H115 L123 I127 N159 G177 I181 | H115-P161 WeakPolarHBondContact NE2-CB 3.35Å; L123-P161 HydrophobicContact CB-CG 4.16Å; L123-P161 HydrophobicContact CD2-CG 3.75Å; L123-P161 HydrophobicContact CG-CG 3.62Å; I127-P161 HydrophobicContact CD1-CB 3.42Å; I127-P161 VanDerWaalsContact CD1-CB 3.42Å; I127-P161 HydrophobicContact CD1-CG 3.16Å; N159-P161 CarbonylContact O-C 3.6Å; N159-P161 VanDerWaalsContact O-O 3.06Å; P161-G177 CarbonylContact O-C 3.58Å; P161-G177 VanDerWaalsContact O-CA 3.28Å; P161-G177 WeakPolarHBondContact O-CA 3.42Å; P161-G177 PolarHBondContact O-N 2.79Å; P161-I181 VanDerWaalsContact C-CD1 3.47Å; P161-I181 HydrophobicContact CB-CD1 3.73Å; P161-I181 HydrophobicContact CG-CD1 3.74Å; P161-I181 WeakPolarHBondContact O-CD1 3.09Å |
| 162 | S | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 139.2 | 173.4 | -83.2 | 0 | 0 | 0 | 0 | 111.7 | H115 V116 Y155 N159 S175 I176 | H115-S162 CarbonylContact C-O 3.53Å; H115-S162 WeakPolarHBondContact CA-O 3.49Å; V116-S162 PolarHBondContact N-O 2.9Å; V116-S162 PolarHBondContact O-N 3.49Å; Y155-S162 PolarHBondContact OH-OG 2.84Å; N159-S162 PolarHBondContact O-OG 3.04Å; S162-S175 CarbonylContact C-O 3.58Å; S162-S175 VanDerWaalsContact CA-O 3.28Å; S162-S175 WeakPolarHBondContact CA-O 3.41Å; S162-I176 WeakPolarHBondContact OG-CA 3.37Å |
| 163 | I | 97.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.6 | 174.3 | -61.1 | 176.3 | 0 | 0 | 0 | 108.4 | V113 I114 I127 F131 I165 Q174 S175 I181 L191 | V113-I163 HydrophobicContact CG1-CG2 3.74Å; I114-I163 CarbonylContact O-C 3.48Å; I114-I163 VanDerWaalsContact O-CA 3.32Å; I114-I163 WeakPolarHBondContact O-CA 3.48Å; I127-I163 HydrophobicContact CG2-CD1 4.4Å; F131-I163 HydrophobicContact CE2-CD1 3.86Å; F131-I163 HydrophobicContact CE2-CG1 4.26Å; F131-I163 HydrophobicContact CZ-CD1 4.16Å; F131-I163 HydrophobicContact CZ-CG1 4.13Å; F131-I163 HydrophobicContact CZ-CG2 4.2Å; I163-I165 HydrophobicContact CG2-CG1 4.24Å; I163-Q174 WeakPolarHBondContact O-CA 3.39Å; I163-S175 PolarHBondContact N-O 2.92Å; I163-S175 PolarHBondContact O-N 2.86Å; I163-I181 HydrophobicContact CD1-CD1 4.19Å; I163-I181 HydrophobicContact CD1-CG1 4.12Å; I163-I181 HydrophobicContact CD1-CG2 4.07Å; I163-I181 HydrophobicContact CG1-CD1 3.98Å; I163-I181 HydrophobicContact CG1-CG1 4.27Å; I163-L191 HydrophobicContact CD1-CD1 3.53Å |
| 164 | L | 96.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.8 | 179.5 | -54.3 | 177.8 | 0 | 0 | 0 | 109.4 | W100 I114 V116 Y166 L171 Q174 | W100-L164 HydrophobicContact CH2-CD1 3.97Å; W100-L164 HydrophobicContact CZ2-CD1 4.27Å; I114-L164 HydrophobicContact CB-CB 4.47Å; I114-L164 PolarHBondContact N-O 3.26Å; I114-L164 PolarHBondContact O-N 2.86Å; V116-L164 HydrophobicContact CG2-CD1 3.94Å; V116-L164 HydrophobicContact CG2-CG 4.4Å; L164-Y166 HydrophobicContact CB-CD2 4.39Å; L164-Y166 HydrophobicContact CB-CE2 3.8Å; L164-L171 HydrophobicContact CB-CD1 4.2Å; L164-Q174 HydrophobicContact CD2-CB 3.68Å |
| 165 | I | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119 | -174.3 | -57.7 | 173.7 | 0 | 0 | 0 | 108.5 | F111 V112 V113 I163 K172 E173 L195 L198 V200 | F111-I165 HydrophobicContact CD1-CG2 4.43Å; V112-I165 WeakPolarHBondContact O-CA 3.42Å; V113-I165 HydrophobicContact CG1-CG1 4.38Å; V113-I165 HydrophobicContact CG2-CG1 4.48Å; I163-I165 HydrophobicContact CG2-CG1 4.24Å; I165-K172 PolarHBondContact O-N 3.26Å; I165-E173 HydrophobicContact CB-CB 4.31Å; I165-E173 HydrophobicContact CD1-CB 4.2Å; I165-E173 PolarHBondContact N-O 2.64Å; I165-E173 PolarHBondContact O-N 3.3Å; I165-L195 HydrophobicContact CD1-CD2 3.59Å; I165-L195 HydrophobicContact CG1-CD2 4.34Å; I165-L198 HydrophobicContact CD1-CD1 3.51Å; I165-V200 HydrophobicContact CD1-CG2 4.24Å; I165-V200 HydrophobicContact CG2-CG2 3.63Å |
| 166 | Y | 96.1 | Very high | 94.9 | Very high | 32 Ų | 32 | 48.1 Ų | 48.1 | 13% | 0.125 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 149.4 | 178.7 | -69.6 | -99.1 | 0 | 0 | 0 | 111.2 | W100 V104 F111 V112 I114 L164 D170 L171 | W100-Y166 AromaticContact CZ2-CE2 3.86Å; W100-Y166 HydrophobicContact CZ2-CE2 3.86Å; W100-Y166 AromaticContact CZ2-CZ 4Å; V104-Y166 HydrophobicContact CG1-CD1 3.81Å; V104-Y166 HydrophobicContact CG1-CD2 3.46Å; V104-Y166 VanDerWaalsContact CG1-CD2 3.46Å; V104-Y166 HydrophobicContact CG1-CE1 4.17Å; V104-Y166 HydrophobicContact CG1-CE2 3.83Å; V104-Y166 HydrophobicContact CG1-CG 3.45Å; V104-Y166 VanDerWaalsContact CG1-CG 3.45Å; F111-Y166 WeakPolarHBondContact CA-O 3.38Å; V112-Y166 PolarHBondContact N-O 2.78Å; V112-Y166 PolarHBondContact O-N 3.34Å; I114-Y166 HydrophobicContact CD1-CD2 3.89Å; I114-Y166 HydrophobicContact CD1-CE2 3.87Å; L164-Y166 HydrophobicContact CB-CD2 4.39Å; L164-Y166 HydrophobicContact CB-CE2 3.8Å; Y166-D170 CarbonylContact C-O 3.59Å; Y166-D170 WeakPolarHBondContact CA-O 3.46Å; Y166-L171 HydrophobicContact CD1-CB 4.15Å; Y166-L171 HydrophobicContact CD2-CD1 4.21Å; Y166-L171 HydrophobicContact CE1-CB 3.72Å; Y166-L171 HydrophobicContact CE1-CD1 4.12Å; Y166-L171 HydrophobicContact CE2-CD1 3.76Å |
| 167 | K | 94.2 | Very high | 95 | Very high | 67 Ų | 67 | 45.5 Ų | 45.5 | 29% | 0.291 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 127.4 | 166.1 | -174.1 | -175.5 | -175.4 | 175 | 0 | 108.7 | D109 F111 G169 D170 K172 | D109-K167 WeakPolarHBondContact OD1-CE 3.34Å; D109-K167 IonicContact OD1-NZ 2.72Å; F111-K167 HydrophobicContact CD1-CB 3.89Å; F111-K167 HydrophobicContact CD1-CD 4.26Å; F111-K167 HydrophobicContact CD1-CG 4.21Å; F111-K167 HydrophobicContact CE1-CB 3.93Å; F111-K167 HydrophobicContact CE1-CD 3.71Å; F111-K167 HydrophobicContact CE1-CG 4.14Å; F111-K167 HydrophobicContact CE2-CD 4.16Å; F111-K167 HydrophobicContact CZ-CD 3.67Å; F111-K167 HydrophobicContact CZ-CG 4.47Å; K167-G169 PolarHBondContact O-N 3.46Å; K167-D170 PolarHBondContact N-O 3.23Å; K167-D170 PolarHBondContact O-N 3.04Å; K167-D170 VanDerWaalsContact O-N 3.09Å; K167-K172 HydrophobicContact CB-CD 4.49Å; K167-K172 HydrophobicContact CB-CG 3.91Å |
| 168 | S | 91.6 | Very high | 95 | Very high | 66 Ų | 66 | 43.2 Ų | 43.2 | 46% | 0.462 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 35.1 | 179.3 | -47 | 0 | 0 | 0 | 0 | 113.5 | G108 D170 | G108-S168 WeakPolarHBondContact O-CA 3.46Å; G108-S168 PolarHBondContact O-N 3.32Å; S168-D170 VanDerWaalsContact C-N 3.26Å; S168-D170 PolarHBondContact O-N 3.05Å |
| 169 | G | 90.1 | Very high | 95 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -13.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T105 K167 | T105-G169 VanDerWaalsContact O-CA 3.32Å; T105-G169 WeakPolarHBondContact O-CA 3.39Å; K167-G169 PolarHBondContact O-N 3.46Å |
| 170 | D | 93.8 | Very high | 94.9 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 49% | 0.487 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 136.9 | 177.1 | -61.8 | -33.5 | 0 | 0 | 0 | 111.6 | Y166 K167 S168 K172 | Y166-D170 CarbonylContact C-O 3.59Å; Y166-D170 WeakPolarHBondContact CA-O 3.46Å; K167-D170 PolarHBondContact N-O 3.23Å; K167-D170 PolarHBondContact O-N 3.04Å; K167-D170 VanDerWaalsContact O-N 3.09Å; S168-D170 VanDerWaalsContact C-N 3.26Å; S168-D170 PolarHBondContact O-N 3.05Å; D170-K172 HydrophobicContact CB-CD 4.28Å; D170-K172 VanDerWaalsContact CB-NZ 3.32Å; D170-K172 PolarHBondContact O-N 2.73Å; D170-K172 IonicContact OD2-NZ 3.98Å; D170-K172 PolarHBondContact OD2-NZ 2.82Å |
| 171 | L | 94.6 | Very high | 94.8 | Very high | 74 Ų | 74 | 47.7 Ų | 47.7 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 120.9 | 166.8 | -178.5 | 66.6 | 0 | 0 | 0 | 109.1 | L164 Y166 | L164-L171 HydrophobicContact CB-CD1 4.2Å; Y166-L171 HydrophobicContact CD1-CB 4.15Å; Y166-L171 HydrophobicContact CD2-CD1 4.21Å; Y166-L171 HydrophobicContact CE1-CB 3.72Å; Y166-L171 HydrophobicContact CE1-CD1 4.12Å; Y166-L171 HydrophobicContact CE2-CD1 3.76Å |
| 172 | K | 95.3 | Very high | 94.4 | Very high | 107 Ų | 107 | 50 Ų | 50 | 47% | 0.465 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -40.8 | -179.2 | -59.8 | -55.1 | -178.8 | -166.6 | 0 | 112.5 | I165 K167 D170 | I165-K172 PolarHBondContact O-N 3.26Å; K167-K172 HydrophobicContact CB-CD 4.49Å; K167-K172 HydrophobicContact CB-CG 3.91Å; D170-K172 HydrophobicContact CB-CD 4.28Å; D170-K172 VanDerWaalsContact CB-NZ 3.32Å; D170-K172 PolarHBondContact O-N 2.73Å; D170-K172 IonicContact OD2-NZ 3.98Å; D170-K172 PolarHBondContact OD2-NZ 2.82Å |
| 173 | E | 95.7 | Very high | 94.2 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 152.8 | -177.7 | -173 | 57.1 | -98.8 | 0 | 0 | 110.8 | I165 L198 | I165-E173 HydrophobicContact CB-CB 4.31Å; I165-E173 HydrophobicContact CD1-CB 4.2Å; I165-E173 PolarHBondContact N-O 2.64Å; I165-E173 PolarHBondContact O-N 3.3Å; E173-L198 HydrophobicContact CB-CD1 4.12Å; E173-L198 HydrophobicContact CG-CD1 3.73Å; E173-L198 HydrophobicContact CG-CD2 4.1Å |
| 174 | Q | 95.8 | Very high | 93.8 | Very high | 96 Ų | 96 | 56.6 Ų | 56.6 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 120.8 | 178.9 | 53 | 177 | 69.9 | 0 | 0 | 111.3 | I163 L164 I176 | I163-Q174 WeakPolarHBondContact O-CA 3.39Å; L164-Q174 HydrophobicContact CD2-CB 3.68Å; Q174-I176 HydrophobicContact CB-CG1 4.31Å |
| 175 | S | 96.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 63.8 Ų | 63.8 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 102.9 | 171.7 | -44.3 | 0 | 0 | 0 | 0 | 108.1 | S162 I163 | S162-S175 CarbonylContact C-O 3.58Å; S162-S175 VanDerWaalsContact CA-O 3.28Å; S162-S175 WeakPolarHBondContact CA-O 3.41Å; I163-S175 PolarHBondContact N-O 2.92Å; I163-S175 PolarHBondContact O-N 2.86Å |
| 176 | I | 96.5 | Very high | 93.3 | Very high | 59 Ų | 59 | 63.8 Ų | 63.8 | 30% | 0.303 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.1 | -174.3 | -60.3 | -176.7 | 0 | 0 | 0 | 110.5 | N159 S162 Q174 A180 | N159-I176 HydrophobicContact CB-CG2 3.52Å; S162-I176 WeakPolarHBondContact OG-CA 3.37Å; Q174-I176 HydrophobicContact CB-CG1 4.31Å; I176-A180 WeakPolarHBondContact O-CB 3.47Å |
| 177 | G | 95 | Very high | 93.2 | Very high | 6 Ų | 6 | 65.2 Ų | 65.2 | 6% | 0.062 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | 84 | 171.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N159 P161 E179 A180 I181 | N159-G177 PolarHBondContact O-N 3.41Å; N159-G177 VanDerWaalsContact O-N 3.13Å; P161-G177 CarbonylContact O-C 3.58Å; P161-G177 VanDerWaalsContact O-CA 3.28Å; P161-G177 WeakPolarHBondContact O-CA 3.42Å; P161-G177 PolarHBondContact O-N 2.79Å; G177-E179 PolarHBondContact O-N 2.95Å; G177-A180 PolarHBondContact O-N 3.35Å; G177-I181 PolarHBondContact O-N 3.24Å |
| 178 | P | 93.2 | Very high | 93.2 | Very high | 37 Ų | 37 | 63.2 Ų | 63.2 | 24% | 0.24 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.4 | -43.4 | -173.7 | -26.5 | 36.2 | 0 | 0 | 0 | 113.5 | L123 L160 I181 G182 G183 | L123-P178 HydrophobicContact CD2-CB 3.6Å; L123-P178 HydrophobicContact CD2-CG 4.04Å; L160-P178 WeakPolarHBondContact O-CD 3.31Å; P178-I181 PolarHBondContact O-N 3.4Å; P178-G182 PolarHBondContact O-N 2.88Å; P178-G183 VanDerWaalsContact O-CA 3.28Å; P178-G183 WeakPolarHBondContact O-CA 3.42Å; P178-G183 PolarHBondContact O-N 3.13Å |
| 179 | E | 92.8 | Very high | 93.3 | Very high | 184 Ų | 184 | 65.7 Ų | 65.7 | 86% | 0.86 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.1 | -43.7 | -175.8 | -64.1 | -176.5 | 174.4 | 0 | 0 | 112.2 | G177 I181 G182 | G177-E179 PolarHBondContact O-N 2.95Å; E179-I181 PolarHBondContact O-N 2.96Å; E179-G182 PolarHBondContact O-N 3.09Å |
| 180 | A | 92.9 | Very high | 93.4 | Very high | 45 Ų | 45 | 66.5 Ų | 66.5 | 37% | 0.372 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66 | -26.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I176 G177 | I176-A180 WeakPolarHBondContact O-CB 3.47Å; G177-A180 PolarHBondContact O-N 3.35Å |
| 181 | I | 91.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.072 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -87.9 | -13.1 | -179.1 | -64.5 | 169.3 | 0 | 0 | 0 | 112 | I127 P161 I163 G177 P178 E179 V186 | I127-I181 HydrophobicContact CD1-CD1 3.92Å; I127-I181 HydrophobicContact CD1-CG2 3.74Å; I127-I181 HydrophobicContact CG1-CG2 4.3Å; P161-I181 VanDerWaalsContact C-CD1 3.47Å; P161-I181 HydrophobicContact CB-CD1 3.73Å; P161-I181 HydrophobicContact CG-CD1 3.74Å; P161-I181 WeakPolarHBondContact O-CD1 3.09Å; I163-I181 HydrophobicContact CD1-CD1 4.19Å; I163-I181 HydrophobicContact CD1-CG1 4.12Å; I163-I181 HydrophobicContact CD1-CG2 4.07Å; I163-I181 HydrophobicContact CG1-CD1 3.98Å; I163-I181 HydrophobicContact CG1-CG1 4.27Å; G177-I181 PolarHBondContact O-N 3.24Å; P178-I181 PolarHBondContact O-N 3.4Å; E179-I181 PolarHBondContact O-N 2.96Å; I181-V186 HydrophobicContact CG2-CG1 4.23Å; I181-V186 HydrophobicContact CG2-CG2 4.35Å; I181-V186 VanDerWaalsContact O-CG2 3.22Å; I181-V186 WeakPolarHBondContact O-CG2 3.21Å |
| 182 | G | 89.5 | Confident | 93.3 | Very high | 49 Ų | 49 | 59.3 Ų | 59.3 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.7 | 14.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P178 E179 | P178-G182 PolarHBondContact O-N 2.88Å; E179-G182 PolarHBondContact O-N 3.09Å |
| 183 | G | 91.4 | Very high | 93.2 | Very high | 19 Ų | 19 | 56.8 Ų | 56.8 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | trans | 82.4 | -173.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P178 M185 V186 | P178-G183 VanDerWaalsContact O-CA 3.28Å; P178-G183 WeakPolarHBondContact O-CA 3.42Å; P178-G183 PolarHBondContact O-N 3.13Å; G183-M185 PolarHBondContact O-N 2.7Å; G183-M185 VanDerWaalsContact O-N 3.15Å; G183-V186 PolarHBondContact O-N 2.83Å | ||
| 184 | N | 90 | Very high | 93 | Very high | 122 Ų | 122 | 56 Ų | 56 | 65% | 0.652 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -16.9 | -172.7 | -61.8 | 77.1 | 0 | 0 | 0 | 114.8 | ||
| 185 | M | 89.8 | Confident | 92.9 | Very high | 163 Ų | 163 | 51.5 Ų | 51.5 | 80% | 0.803 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | 20.9 | -175.1 | -65.2 | -63.5 | -64.4 | 0 | 0 | 112.6 | G183 T187 | G183-M185 PolarHBondContact O-N 2.7Å; G183-M185 VanDerWaalsContact O-N 3.15Å; M185-T187 PolarHBondContact O-N 2.86Å |
| 186 | V | 93.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | trans | -51.4 | 130.3 | 179 | 64 | 0 | 0 | 0 | 0 | 111.2 | L123 L126 I127 H130 I181 G183 E190 | L123-V186 HydrophobicContact CD1-CG1 3.99Å; L126-V186 HydrophobicContact CD2-CG1 4.26Å; I127-V186 HydrophobicContact CG1-CG1 4.29Å; H130-V186 PolarHBondContact NE2-O 2.88Å; I181-V186 HydrophobicContact CG2-CG1 4.23Å; I181-V186 HydrophobicContact CG2-CG2 4.35Å; I181-V186 VanDerWaalsContact O-CG2 3.22Å; I181-V186 WeakPolarHBondContact O-CG2 3.21Å; G183-V186 PolarHBondContact O-N 2.83Å; V186-E190 HydrophobicContact CG2-CB 4.27Å | ||
| 187 | T | 93.8 | Very high | 92.6 | Very high | 61 Ų | 61 | 57 Ų | 57 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | trans | -95.8 | 155.5 | 178.3 | 66.3 | 0 | 0 | 0 | 0 | 111.4 | M185 K189 E190 L191 | M185-T187 PolarHBondContact O-N 2.86Å; T187-K189 PolarHBondContact O-N 2.77Å; T187-K189 VanDerWaalsContact O-N 3.1Å; T187-E190 WeakPolarHBondContact CB-OE2 3.5Å; T187-E190 PolarHBondContact N-OE2 3.2Å; T187-E190 PolarHBondContact O-N 2.86Å; T187-E190 VanDerWaalsContact O-N 3.13Å; T187-E190 VanDerWaalsContact OG1-CG 3.25Å; T187-E190 WeakPolarHBondContact OG1-CG 3.28Å; T187-E190 PolarHBondContact OG1-N 2.83Å; T187-E190 PolarHBondContact OG1-OE2 2.89Å; T187-L191 PolarHBondContact O-N 3.33Å; T187-L191 VanDerWaalsContact O-N 3.09Å | ||
| 188 | S | 93.2 | Very high | 92.4 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.1 | -29.3 | 174 | -175.2 | 0 | 0 | 0 | 0 | 113 | H130 E192 | H130-S188 PolarHBondContact CE1-N 2.93Å; H130-S188 WeakPolarHBondContact ND1-CB 3.45Å; S188-E192 WeakPolarHBondContact O-CB 3.32Å; S188-E192 PolarHBondContact O-N 3.41Å |
| 189 | K | 93 | Very high | 92.2 | Very high | 118 Ų | 118 | 60.3 Ų | 60.3 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -76.8 | -37.2 | 179.6 | -68.5 | -178.2 | -178.3 | 175.6 | 0 | 112.2 | T187 E192 W193 L205 P209 | T187-K189 PolarHBondContact O-N 2.77Å; T187-K189 VanDerWaalsContact O-N 3.1Å; K189-E192 PolarHBondContact O-N 3.03Å; K189-W193 VanDerWaalsContact O-CB 3.31Å; K189-W193 WeakPolarHBondContact O-CB 3.44Å; K189-W193 PolarHBondContact O-N 2.8Å; K189-L205 HydrophobicContact CB-CD1 4.4Å; K189-P209 HydrophobicContact CB-CB 4.33Å; K189-P209 HydrophobicContact CB-CG 4.28Å |
| 190 | E | 92.3 | Very high | 92.1 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 19% | 0.187 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 174.1 | -73.6 | 165.2 | 146.3 | 0 | 0 | 110.7 | V186 T187 W193 H194 P209 S210 | V186-E190 HydrophobicContact CG2-CB 4.27Å; T187-E190 WeakPolarHBondContact CB-OE2 3.5Å; T187-E190 PolarHBondContact N-OE2 3.2Å; T187-E190 PolarHBondContact O-N 2.86Å; T187-E190 VanDerWaalsContact O-N 3.13Å; T187-E190 VanDerWaalsContact OG1-CG 3.25Å; T187-E190 WeakPolarHBondContact OG1-CG 3.28Å; T187-E190 PolarHBondContact OG1-N 2.83Å; T187-E190 PolarHBondContact OG1-OE2 2.89Å; E190-W193 PolarHBondContact O-N 2.83Å; E190-H194 WeakPolarHBondContact O-CB 3.41Å; E190-H194 PolarHBondContact O-N 3.07Å; E190-P209 HydrophobicContact CB-CG 4.37Å; E190-P209 HydrophobicContact CG-CB 4.37Å; E190-P209 HydrophobicContact CG-CG 3.72Å; E190-S210 VanDerWaalsContact CD-OG 3.3Å; E190-S210 WeakPolarHBondContact CG-OG 3.44Å; E190-S210 WeakPolarHBondContact OE1-CB 3.49Å; E190-S210 PolarHBondContact OE1-OG 3.38Å |
| 191 | L | 93.5 | Very high | 92 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.5 | -175.6 | 60.9 | 0 | 0 | 0 | 111.9 | H130 F131 L134 I163 T187 W193 H194 L195 | H130-L191 HydrophobicContact CB-CD2 4.02Å; F131-L191 HydrophobicContact CD2-CD2 3.82Å; F131-L191 HydrophobicContact CE2-CD2 3.72Å; L134-L191 HydrophobicContact CD1-CB 4.28Å; L134-L191 HydrophobicContact CD1-CD2 3.55Å; L134-L191 HydrophobicContact CD1-CG 3.72Å; I163-L191 HydrophobicContact CD1-CD1 3.53Å; T187-L191 PolarHBondContact O-N 3.33Å; T187-L191 VanDerWaalsContact O-N 3.09Å; L191-W193 VanDerWaalsContact C-N 3.35Å; L191-W193 PolarHBondContact O-N 2.8Å; L191-H194 PolarHBondContact O-N 2.65Å; L191-L195 HydrophobicContact CG-CD1 4.41Å; L191-L195 WeakPolarHBondContact O-CG 3.28Å; L191-L195 PolarHBondContact O-N 2.72Å |
| 192 | E | 94.5 | Very high | 91.5 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.2 | -47.8 | 172.4 | -175.3 | 178.4 | 153.2 | 0 | 0 | 111.8 | L134 K137 F138 S188 K189 H194 L195 A196 L201 S203 L205 | L134-E192 HydrophobicContact CD2-CB 3.79Å; L134-E192 HydrophobicContact CD2-CG 4.17Å; K137-E192 IonicContact NZ-OE1 3.57Å; K137-E192 PolarHBondContact NZ-OE1 3.5Å; K137-E192 IonicContact NZ-OE2 3.16Å; K137-E192 PolarHBondContact NZ-OE2 2.96Å; F138-E192 HydrophobicContact CE2-CG 3.78Å; F138-E192 HydrophobicContact CZ-CG 3.87Å; F138-E192 WeakPolarHBondContact CZ-OE1 3.37Å; S188-E192 WeakPolarHBondContact O-CB 3.32Å; S188-E192 PolarHBondContact O-N 3.41Å; K189-E192 PolarHBondContact O-N 3.03Å; E192-H194 PolarHBondContact O-N 2.81Å; E192-L195 PolarHBondContact O-N 3.01Å; E192-A196 WeakPolarHBondContact O-CB 3.12Å; E192-A196 PolarHBondContact O-N 3.04Å; E192-L201 HydrophobicContact CG-CD1 4.11Å; E192-S203 WeakPolarHBondContact OE1-CB 3.32Å; E192-S203 PolarHBondContact OE1-OG 3.03Å; E192-L205 HydrophobicContact CB-CD1 4.18Å; E192-L205 HydrophobicContact CG-CD1 4Å |
| 193 | W | 92.1 | Very high | 91.1 | Very high | 54 Ų | 54 | 57.5 Ų | 57.5 | 21% | 0.205 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | -179.3 | 179.4 | 81.4 | 0 | 0 | 0 | 111.9 | K189 E190 L191 A196 K197 D208 P209 | K189-W193 VanDerWaalsContact O-CB 3.31Å; K189-W193 WeakPolarHBondContact O-CB 3.44Å; K189-W193 PolarHBondContact O-N 2.8Å; E190-W193 PolarHBondContact O-N 2.83Å; L191-W193 VanDerWaalsContact C-N 3.35Å; L191-W193 PolarHBondContact O-N 2.8Å; W193-A196 PolarHBondContact O-N 3.25Å; W193-K197 HydrophobicContact CH2-CD 3.91Å; W193-K197 HydrophobicContact CZ2-CD 4.22Å; W193-K197 HydrophobicContact CZ3-CD 4.3Å; W193-K197 WeakPolarHBondContact O-CB 3.39Å; W193-K197 PolarHBondContact O-N 3Å; W193-D208 HydrophobicContact CD2-CB 4.4Å; W193-D208 HydrophobicContact CH2-CB 4.06Å; W193-D208 HydrophobicContact CZ2-CB 3.69Å; W193-P209 HydrophobicContact CB-CG 4.12Å |
| 194 | H | 91.9 | Very high | 90.5 | Very high | 63 Ų | 63 | 66.5 Ų | 66.5 | 29% | 0.292 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 176.5 | -169.3 | 98.2 | 0 | 0 | 0 | 111.3 | E190 L191 E192 A196 K197 L198 | E190-H194 WeakPolarHBondContact O-CB 3.41Å; E190-H194 PolarHBondContact O-N 3.07Å; L191-H194 PolarHBondContact O-N 2.65Å; E192-H194 PolarHBondContact O-N 2.81Å; H194-A196 PolarHBondContact O-N 3.3Å; H194-K197 PolarHBondContact O-N 3.46Å; H194-L198 WeakPolarHBondContact O-CG 3.31Å; H194-L198 PolarHBondContact O-N 3.28Å |
| 195 | L | 94.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65 | -38.3 | 176.5 | -66.9 | 174.4 | 0 | 0 | 0 | 112.1 | V113 L134 F143 I165 L191 E192 L198 G199 V200 L201 | V113-L195 HydrophobicContact CG1-CD2 4.11Å; V113-L195 HydrophobicContact CG2-CD2 4.23Å; L134-L195 HydrophobicContact CD1-CD1 4.17Å; F143-L195 HydrophobicContact CE1-CD1 3.95Å; F143-L195 HydrophobicContact CZ-CD1 4.24Å; I165-L195 HydrophobicContact CD1-CD2 3.59Å; I165-L195 HydrophobicContact CG1-CD2 4.34Å; L191-L195 HydrophobicContact CG-CD1 4.41Å; L191-L195 WeakPolarHBondContact O-CG 3.28Å; L191-L195 PolarHBondContact O-N 2.72Å; E192-L195 PolarHBondContact O-N 3.01Å; L195-L198 PolarHBondContact O-N 3.45Å; L195-G199 PolarHBondContact O-N 3.19Å; L195-V200 HydrophobicContact CB-CB 4.27Å; L195-V200 HydrophobicContact CD2-CB 4.48Å; L195-V200 HydrophobicContact CD2-CG1 4.36Å; L195-V200 HydrophobicContact CD2-CG2 4.47Å; L195-V200 WeakPolarHBondContact O-CB 3.47Å; L195-V200 PolarHBondContact O-N 3.22Å; L195-L201 HydrophobicContact CB-CD2 3.52Å; L195-L201 HydrophobicContact CB-CG 3.88Å; L195-L201 HydrophobicContact CD1-CD2 3.93Å; L195-L201 HydrophobicContact CG-CD2 4.39Å |
| 196 | A | 93.3 | Very high | 88.6 | Confident | 24 Ų | 24 | 62 Ų | 62 | 20% | 0.198 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | E192 W193 H194 L198 G199 L201 | E192-A196 WeakPolarHBondContact O-CB 3.12Å; E192-A196 PolarHBondContact O-N 3.04Å; W193-A196 PolarHBondContact O-N 3.25Å; H194-A196 PolarHBondContact O-N 3.3Å; A196-L198 PolarHBondContact O-N 3.47Å; A196-G199 PolarHBondContact O-N 3.21Å; A196-L201 HydrophobicContact CB-CD1 3.61Å; A196-L201 HydrophobicContact CB-CG 4.44Å |
| 197 | K | 91.3 | Very high | 87.5 | Confident | 155 Ų | 155 | 70.3 Ų | 70.3 | 67% | 0.674 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.1 | -34.6 | 178.4 | -176.4 | -177 | 176.3 | -170.3 | 0 | 112.2 | W193 H194 G199 | W193-K197 HydrophobicContact CH2-CD 3.91Å; W193-K197 HydrophobicContact CZ2-CD 4.22Å; W193-K197 HydrophobicContact CZ3-CD 4.3Å; W193-K197 WeakPolarHBondContact O-CB 3.39Å; W193-K197 PolarHBondContact O-N 3Å; H194-K197 PolarHBondContact O-N 3.46Å; K197-G199 PolarHBondContact O-N 2.94Å |
| 198 | L | 90.7 | Very high | 86.5 | Confident | 65 Ų | 65 | 69.3 Ų | 69.3 | 34% | 0.34 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -2.9 | 175.8 | -65.3 | 172.3 | 0 | 0 | 0 | 113.2 | I165 E173 H194 L195 A196 V200 | I165-L198 HydrophobicContact CD1-CD1 3.51Å; E173-L198 HydrophobicContact CB-CD1 4.12Å; E173-L198 HydrophobicContact CG-CD1 3.73Å; E173-L198 HydrophobicContact CG-CD2 4.1Å; H194-L198 WeakPolarHBondContact O-CG 3.31Å; H194-L198 PolarHBondContact O-N 3.28Å; L195-L198 PolarHBondContact O-N 3.45Å; A196-L198 PolarHBondContact O-N 3.47Å; L198-V200 VanDerWaalsContact C-N 3.27Å; L198-V200 HydrophobicContact CB-CG2 3.88Å; L198-V200 PolarHBondContact O-N 3.03Å |
| 199 | G | 90 | Very high | 85.4 | Confident | 49 Ų | 49 | 69.2 Ų | 69.2 | 51% | 0.505 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 18 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | F111 L195 A196 K197 | F111-G199 VanDerWaalsContact CE2-O 3.31Å; F111-G199 WeakPolarHBondContact CE2-O 3.38Å; F111-G199 WeakPolarHBondContact CZ-O 3.47Å; L195-G199 PolarHBondContact O-N 3.19Å; A196-G199 PolarHBondContact O-N 3.21Å; K197-G199 PolarHBondContact O-N 2.94Å |
| 200 | V | 91.3 | Very high | 84 | Confident | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.036 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -75.3 | -34 | 179.6 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | F111 V113 V141 I165 L195 L198 | F111-V200 HydrophobicContact CB-CG1 3.9Å; F111-V200 HydrophobicContact CD1-CB 4.38Å; F111-V200 HydrophobicContact CD1-CG1 4.21Å; F111-V200 HydrophobicContact CD1-CG2 4.11Å; F111-V200 HydrophobicContact CE1-CG2 4.2Å; F111-V200 HydrophobicContact CG-CB 4.48Å; F111-V200 HydrophobicContact CG-CG1 4.06Å; V113-V200 HydrophobicContact CG2-CG1 3.58Å; V141-V200 HydrophobicContact CG1-CG1 4.05Å; V141-V200 HydrophobicContact CG2-CG1 4.45Å; V141-V200 WeakPolarHBondContact CG2-O 3.21Å; I165-V200 HydrophobicContact CD1-CG2 4.24Å; I165-V200 HydrophobicContact CG2-CG2 3.63Å; L195-V200 HydrophobicContact CB-CB 4.27Å; L195-V200 HydrophobicContact CD2-CB 4.48Å; L195-V200 HydrophobicContact CD2-CG1 4.36Å; L195-V200 HydrophobicContact CD2-CG2 4.47Å; L195-V200 WeakPolarHBondContact O-CB 3.47Å; L195-V200 PolarHBondContact O-N 3.22Å; L198-V200 VanDerWaalsContact C-N 3.27Å; L198-V200 HydrophobicContact CB-CG2 3.88Å; L198-V200 PolarHBondContact O-N 3.03Å |
| 201 | L | 90.2 | Very high | 82.3 | Confident | 10 Ų | 10 | 73.2 Ų | 73.2 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -139.7 | 154.9 | -178.9 | 61.2 | 81.5 | 0 | 0 | 0 | 111.5 | F138 V141 E192 L195 A196 S203 | F138-L201 HydrophobicContact CD1-CB 4.06Å; F138-L201 HydrophobicContact CD1-CD1 4.43Å; F138-L201 HydrophobicContact CD2-CD2 3.84Å; F138-L201 HydrophobicContact CE1-CB 4.37Å; F138-L201 HydrophobicContact CE1-CD1 3.91Å; F138-L201 HydrophobicContact CE2-CD1 4.18Å; F138-L201 HydrophobicContact CE2-CD2 3.91Å; F138-L201 HydrophobicContact CG-CB 4.23Å; F138-L201 HydrophobicContact CG-CD2 4.18Å; F138-L201 HydrophobicContact CZ-CD1 3.76Å; F138-L201 HydrophobicContact CZ-CD2 4.31Å; V141-L201 HydrophobicContact CG2-CB 4.21Å; E192-L201 HydrophobicContact CG-CD1 4.11Å; L195-L201 HydrophobicContact CB-CD2 3.52Å; L195-L201 HydrophobicContact CB-CG 3.88Å; L195-L201 HydrophobicContact CD1-CD2 3.93Å; L195-L201 HydrophobicContact CG-CD2 4.39Å; A196-L201 HydrophobicContact CB-CD1 3.61Å; A196-L201 HydrophobicContact CB-CG 4.44Å; L201-S203 PolarHBondContact O-N 3.17Å |
| 202 | E | 82.2 | Confident | 80.1 | Confident | 186 Ų | 186 | 82.4 Ų | 82.4 | 87% | 0.869 | 41% | 0.408 | S | S | * | . | trans | -93.3 | 93.4 | 175.5 | -67.2 | 177.6 | -171.3 | 0 | 0 | 109.6 | F138 | F138-E202 WeakPolarHBondContact CE1-O 3.41Š| ||
| 203 | S | 80.9 | Confident | 77.6 | Confident | 30 Ų | 30 | 89.8 Ų | 89.8 | 21% | 0.21 | 45% | 0.445 | C | S | . | . | trans | -96.3 | 148 | 177 | -178.5 | 0 | 0 | 0 | 0 | 112 | E192 L201 L205 | E192-S203 WeakPolarHBondContact OE1-CB 3.32Å; E192-S203 PolarHBondContact OE1-OG 3.03Å; L201-S203 PolarHBondContact O-N 3.17Å; S203-L205 PolarHBondContact O-N 3.24Å; S203-L205 VanDerWaalsContact OG-CB 3.31Å; S203-L205 WeakPolarHBondContact OG-CB 3.34Å; S203-L205 WeakPolarHBondContact OG-CG 3.39Å; S203-L205 PolarHBondContact OG-N 3.13Å | ||
| 204 | K | 77.8 | Confident | 75.2 | Confident | 209 Ų | 209 | 93.7 Ų | 93.7 | 91% | 0.909 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -73.7 | -6.1 | 166.6 | -57.9 | -176.7 | -177.9 | -176.6 | 0 | 112.7 | T206 | K204-T206 PolarHBondContact O-N 3.23Š|
| 205 | L | 74.1 | Confident | 73 | Confident | 56 Ų | 56 | 98.7 Ų | 98.7 | 29% | 0.293 | 50% | 0.497 | S | S | . | . | trans | -81 | 97.2 | -177.9 | -63.7 | 176.1 | 0 | 0 | 0 | 111.3 | K189 E192 S203 | K189-L205 HydrophobicContact CB-CD1 4.4Å; E192-L205 HydrophobicContact CB-CD1 4.18Å; E192-L205 HydrophobicContact CG-CD1 4Å; S203-L205 PolarHBondContact O-N 3.24Å; S203-L205 VanDerWaalsContact OG-CB 3.31Å; S203-L205 WeakPolarHBondContact OG-CB 3.34Å; S203-L205 WeakPolarHBondContact OG-CG 3.39Å; S203-L205 PolarHBondContact OG-N 3.13Å | ||
| 206 | T | 66.1 | Low | 70.6 | Confident | 133 Ų | 133 | 108.4 Ų | 108.4 | 82% | 0.816 | 54% | 0.539 | S | S | * | . | trans | -80 | -29.2 | 175.2 | -52 | 0 | 0 | 0 | 0 | 113.5 | K204 | K204-T206 PolarHBondContact O-N 3.23Š| ||
| 207 | K | 71.8 | Confident | 68.3 | Low | 178 Ų | 178 | 115 Ų | 115 | 77% | 0.774 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -107.9 | 137.7 | -173.9 | -65.8 | -177.1 | -178.4 | 179.1 | 0 | 111.4 | P209 | K207-P209 WeakPolarHBondContact O-CD 3.31Š|
| 208 | D | 72.3 | Confident | 66 | Low | 39 Ų | 39 | 112 Ų | 112 | 21% | 0.209 | 57% | 0.574 | C | S | . | * | trans | -54.6 | 114.5 | 173 | -178.6 | -6.2 | 0 | 0 | 0 | 110.7 | W193 S210 K211 | W193-D208 HydrophobicContact CD2-CB 4.4Å; W193-D208 HydrophobicContact CH2-CB 4.06Å; W193-D208 HydrophobicContact CZ2-CB 3.69Å; D208-S210 VanDerWaalsContact C-N 3.29Å; D208-S210 PolarHBondContact O-N 2.68Å; D208-S210 WeakPolarHBondContact OD1-CB 3.36Å; D208-S210 PolarHBondContact OD1-N 3.22Å; D208-K211 HydrophobicContact CB-CD 4.38Å; D208-K211 HydrophobicContact CB-CG 4.34Å; D208-K211 PolarHBondContact O-N 3.28Å; D208-K211 WeakPolarHBondContact OD2-CE 3.14Å | ||
| 209 | P | 69.9 | Low | 63.8 | Low | 24 Ų | 24 | 117.8 Ų | 117.8 | 16% | 0.156 | 60% | 0.599 | C | S | . | * | G | 310 helix | trans | -69.1 | -23.8 | -179.5 | 26.6 | -31.4 | 0 | 0 | 0 | 113.2 | K189 E190 W193 K207 K211 R212 | K189-P209 HydrophobicContact CB-CB 4.33Å; K189-P209 HydrophobicContact CB-CG 4.28Å; E190-P209 HydrophobicContact CB-CG 4.37Å; E190-P209 HydrophobicContact CG-CB 4.37Å; E190-P209 HydrophobicContact CG-CG 3.72Å; W193-P209 HydrophobicContact CB-CG 4.12Å; K207-P209 WeakPolarHBondContact O-CD 3.31Å; P209-K211 PolarHBondContact O-N 3.29Å; P209-R212 PolarHBondContact O-N 3.39Å |
| 210 | S | 63 | Low | 61.8 | Low | 72 Ų | 72 | 120 Ų | 120 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -66.9 | -16.9 | 179.5 | -57.5 | 0 | 0 | 0 | 0 | 112.7 | E190 D208 R212 | E190-S210 VanDerWaalsContact CD-OG 3.3Å; E190-S210 WeakPolarHBondContact CG-OG 3.44Å; E190-S210 WeakPolarHBondContact OE1-CB 3.49Å; E190-S210 PolarHBondContact OE1-OG 3.38Å; D208-S210 VanDerWaalsContact C-N 3.29Å; D208-S210 PolarHBondContact O-N 2.68Å; D208-S210 WeakPolarHBondContact OD1-CB 3.36Å; D208-S210 PolarHBondContact OD1-N 3.22Å; S210-R212 VanDerWaalsContact C-N 3.3Å; S210-R212 PolarHBondContact O-N 2.92Å |
| 211 | K | 57.1 | Low | 59.5 | Low | 169 Ų | 169 | 126.8 Ų | 126.8 | 74% | 0.735 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -84.3 | 4.8 | 177.5 | -63.7 | -173.2 | -177.2 | -175.7 | 0 | 114.4 | D208 P209 M213 | D208-K211 HydrophobicContact CB-CD 4.38Å; D208-K211 HydrophobicContact CB-CG 4.34Å; D208-K211 PolarHBondContact O-N 3.28Å; D208-K211 WeakPolarHBondContact OD2-CE 3.14Å; P209-K211 PolarHBondContact O-N 3.29Å; K211-M213 VanDerWaalsContact C-N 3.34Å; K211-M213 PolarHBondContact O-N 3.34Å |
| 212 | R | 47 | Very low | 56.9 | Low | 199 Ų | 199 | 137.8 Ų | 137.8 | 75% | 0.751 | 68% | 0.684 | S | S | * | * | trans | -87.3 | 62.9 | 176.9 | -72.9 | -173.5 | 178.7 | 174 | -0 | 112.7 | P209 S210 | P209-R212 PolarHBondContact O-N 3.39Å; S210-R212 VanDerWaalsContact C-N 3.3Å; S210-R212 PolarHBondContact O-N 2.92Å | ||
| 213 | M | 43.1 | Very low | 54.7 | Low | 163 Ų | 163 | 136.8 Ų | 136.8 | 80% | 0.803 | 68% | 0.683 | S | S | * | * | trans | -179.2 | 99 | 160 | -105.9 | 159.6 | 54.7 | 0 | 0 | 107.1 | K211 | K211-M213 VanDerWaalsContact C-N 3.34Å; K211-M213 PolarHBondContact O-N 3.34Å | ||
| 214 | N | 39.9 | Very low | 52.6 | Low | 136 Ų | 136 | 144.6 Ų | 144.6 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | -167.3 | 92 | 85.1 | -78.5 | -23 | 0 | 0 | 0 | 110.6 | |||||
| 215 | I | 46.2 | Very low | 50.4 | Low | 168 Ų | 168 | 143.3 Ų | 143.3 | 86% | 0.862 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -125.3 | 46.8 | 156.9 | -49.9 | 169 | 0 | 0 | 0 | 109 | ||
| 216 | K | 44 | Very low | 48.5 | Very low | 206 Ų | 206 | 148 Ų | 148 | 90% | 0.896 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -137.8 | 23.8 | 167.4 | -72.7 | -161.6 | 178.4 | -172.5 | 0 | 113.8 | ||
| 217 | L | 46.4 | Very low | 47.2 | Very low | 161 Ų | 161 | 148 Ų | 148 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -129 | 10.1 | 168.9 | -151.1 | 65.8 | 0 | 0 | 0 | 114.9 | ||
| 218 | A | 42.1 | Very low | 45.4 | Very low | 93 Ų | 93 | 144.8 Ų | 144.8 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -113.2 | 4.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 219 | H | 44.5 | Very low | 43.5 | Very low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -101.2 | 5.4 | 174.9 | -123 | 113 | 0 | 0 | 0 | 114.5 | ||
| 220 | S | 47.9 | Very low | 41.9 | Very low | 94 Ų | 94 | 150.8 Ų | 150.8 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -111.1 | 122 | 164.8 | -153.7 | 0 | 0 | 0 | 0 | 107.9 | ||
| 221 | N | 42.1 | Very low | 40.8 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 93.8 | 54.2 | 177.1 | -52.4 | 9.6 | 0 | 0 | 0 | 117.1 | ||
| 222 | R | 37.4 | Very low | 39.8 | Very low | 241 Ų | 241 | 151.8 Ų | 151.8 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -158.1 | 44.4 | 145.4 | -143 | -177.4 | -92.8 | -161.6 | -5.4 | 117.5 | ||
| 223 | I | 35.7 | Very low | 39.5 | Very low | 165 Ų | 165 | 150 Ų | 150 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -144.7 | 77.1 | 159.1 | -48.3 | 175.6 | 0 | 0 | 0 | 110 | ||||
| 224 | K | 35.5 | Very low | 39.1 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -142.4 | 128.8 | 150.4 | -69.1 | -168.9 | -179.6 | 178.8 | 0 | 106.5 | ||||
| 225 | H | 31.5 | Very low | 39.2 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | S | Bend | trans | 96.4 | 102.1 | -179 | -61 | -82.8 | 0 | 0 | 0 | 116.5 | ||
| 226 | I | 35.7 | Very low | 38.7 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | 123.7 | 70.7 | 124 | -136.7 | 163.7 | 0 | 0 | 0 | 116 | |||||
| 227 | V | 38.2 | Very low | 38.8 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -148.9 | 104.8 | 144.7 | 174.1 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 228 | S | 33.4 | Very low | 38.5 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | 53.8 | 84 | 57.5 | 80.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 229 | G | 33.5 | Very low | 38.7 | Very low | 64 Ų | 64 | 149.1 Ų | 149.1 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | trans | 151.3 | 89.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 230 | S | 35.4 | Very low | 38.8 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | 89.9 | 133.5 | 88.7 | -83.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 231 | S | 40.2 | Very low | 38.4 | Very low | 110 Ų | 110 | 150.2 Ų | 150.2 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 75.3 | 92.8 | 171.9 | -80 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 232 | D | 35.4 | Very low | 38.8 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | 15.8 | 107.7 | 106.3 | -56.7 | -27.5 | 0 | 0 | 0 | 115.1 | |||||
| 233 | N | 41.1 | Very low | 39.1 | Very low | 161 Ų | 161 | 146 Ų | 146 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | -157.8 | 110.5 | 129.1 | -103.1 | -1.4 | 0 | 0 | 0 | 108.2 | E235 | N233-E235 PolarHBondContact O-N 3.34Š| |||
| 234 | D | 35.3 | Very low | 39.6 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -60.9 | 117 | 156.9 | -71.1 | -46.8 | 0 | 0 | 0 | 108.5 | ||||
| 235 | E | 41.2 | Very low | 40 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | -139.5 | 109.8 | 143.4 | -73.9 | -163.7 | 159.4 | 0 | 0 | 107.5 | N233 | N233-E235 PolarHBondContact O-N 3.34Š| ||
| 236 | T | 37 | Very low | 40.5 | Very low | 115 Ų | 115 | 146 Ų | 146 | 71% | 0.706 | 83% | 0.826 | S | S | * | * | trans | -77.8 | 126.7 | 166.8 | 0.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 237 | D | 44.5 | Very low | 40.7 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | trans | -140.3 | 105.2 | 151.8 | -86.7 | -34.6 | 0 | 0 | 0 | 106.5 | ||||
| 238 | D | 40.1 | Very low | 40.9 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 76% | 0.759 | 83% | 0.83 | S | S | * | * | trans | -65.1 | 127 | 166.1 | -67.9 | -55.2 | 0 | 0 | 0 | 108.6 | ||||
| 239 | D | 47.3 | Very low | 41.3 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -139.6 | 91.4 | 160.5 | -87.4 | -35.5 | 0 | 0 | 0 | 108 | ||||
| 240 | D | 46.3 | Very low | 41.8 | Very low | 147 Ų | 147 | 153.7 Ų | 153.7 | 79% | 0.786 | 84% | 0.844 | S | S | * | * | trans | 46.5 | 102.4 | 140.4 | -62.1 | -23.9 | 0 | 0 | 0 | 119.7 | ||||
| 241 | D | 39.3 | Very low | 42.2 | Very low | 158 Ų | 158 | 155.6 Ų | 155.6 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | trans | -55 | 128.6 | 138.7 | -73.4 | -45.5 | 0 | 0 | 0 | 109.5 | ||||
| 242 | D | 51 | Low | 42.4 | Very low | 159 Ų | 159 | 158.9 Ų | 158.9 | 85% | 0.85 | 85% | 0.847 | S | S | * | * | trans | -156.7 | 100.9 | 143.8 | -94 | -28 | 0 | 0 | 0 | 109.1 | ||||
| 243 | D | 43.4 | Very low | 42.9 | Very low | 144 Ų | 144 | 159.4 Ų | 159.4 | 77% | 0.77 | 85% | 0.85 | S | S | * | * | trans | -54.6 | 139.1 | 148.7 | -74 | -52.1 | 0 | 0 | 0 | 109.5 | ||||
| 244 | D | 45.6 | Very low | 43 | Very low | 156 Ų | 156 | 159.3 Ų | 159.3 | 83% | 0.834 | 85% | 0.849 | S | S | * | * | 165.7 | 138.2 | 124.1 | -88.4 | -27.9 | 0 | 0 | 0 | 112.4 | |||||
| 245 | D | 45.5 | Very low | 43.7 | Very low | 238 Ų | 238 | 159.3 Ų | 159.3 | 100% | 1.273 | 85% | 0.849 | S | S | * | * | trans | 71.6 | 0 | 165 | -67.4 | -28.1 | 0 | 0 | 0 | 121.3 |
Retrieved 245 of 245 residues in 45 ms
(Link to these results)