| 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 | 28.3 | Very low | 33.5 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 100% | 1.005 | 69% | 0.688 | S | S | * | * | 0 | 71.7 | 0 | 178.5 | -173.9 | -75.1 | 0 | 0 | 106.6 | K67 | M1-K67 PolarHBondContact SD-NZ 2.87Š| |||
| 2 | E | 27.7 | Very low | 34.5 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 85% | 0.85 | 70% | 0.701 | S | S | * | * | trans | -145 | 120.1 | -159.8 | -67.8 | 169.8 | 126.4 | 0 | 0 | 110.3 | ||||
| 3 | T | 29.1 | Very low | 36.1 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | 166.4 | 160.8 | 159.4 | 24.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 4 | F | 29.3 | Very low | 38.2 | Very low | 185 Ų | 185 | 129.1 Ų | 129.1 | 81% | 0.811 | 66% | 0.663 | S | S | * | * | trans | 63.3 | 81.9 | -178.6 | -67.9 | -85.5 | 0 | 0 | 0 | 117.5 | ||||
| 5 | W | 30.1 | Very low | 40.5 | Very low | 174 Ų | 174 | 123.9 Ų | 123.9 | 66% | 0.659 | 64% | 0.636 | S | S | * | * | trans | -141.6 | 120 | 143.2 | -68.5 | 112.3 | 0 | 0 | 0 | 110.3 | K35 | W5-K35 HydrophobicContact CH2-CB 4.45Å; W5-K35 HydrophobicContact CH2-CD 4.47Å; W5-K35 HydrophobicContact CH2-CG 3.88Å; W5-K35 HydrophobicContact CZ3-CB 4.03Å; W5-K35 HydrophobicContact CZ3-CD 4.13Å; W5-K35 HydrophobicContact CZ3-CG 3.79Å | ||
| 6 | P | 34.4 | Very low | 42.6 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 62% | 0.623 | 64% | 0.642 | S | S | * | * | trans | -76.1 | 143.8 | 167.8 | -12.2 | 28.8 | 0 | 0 | 0 | 111.2 | F8 | P6-F8 HydrophobicContact CB-CD2 4.29Å; P6-F8 HydrophobicContact CB-CE2 4.18Å; P6-F8 PolarHBondContact O-N 3.44Å | ||
| 7 | L | 33.6 | Very low | 44.8 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 84% | 0.838 | 63% | 0.633 | S | S | * | * | trans | -69.2 | 118.7 | 173.9 | -78.2 | 149.9 | 0 | 0 | 0 | 111.2 | ||||
| 8 | F | 35.5 | Very low | 46.7 | Very low | 149 Ų | 149 | 118.5 Ų | 118.5 | 65% | 0.654 | 60% | 0.599 | S | S | * | * | trans | -128.7 | 124.6 | 167.7 | -86.1 | -87.9 | 0 | 0 | 0 | 110.5 | P6 | P6-F8 HydrophobicContact CB-CD2 4.29Å; P6-F8 HydrophobicContact CB-CE2 4.18Å; P6-F8 PolarHBondContact O-N 3.44Å | ||
| 9 | F | 38.3 | Very low | 48.5 | Very low | 158 Ų | 158 | 116.4 Ų | 116.4 | 69% | 0.693 | 59% | 0.585 | S | S | * | * | trans | -94.1 | 98 | -179.2 | -102.3 | -100.4 | 0 | 0 | 0 | 110.9 | C11 | F9-C11 PolarHBondContact O-N 2.81Š| ||
| 10 | V | 41.3 | Very low | 50.1 | Low | 9 Ų | 9 | 113.7 Ų | 113.7 | 6% | 0.055 | 58% | 0.581 | C | S | . | * | trans | -74.8 | 117.9 | -174.6 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | E14 L18 S40 K45 | V10-E14 WeakPolarHBondContact CA-OE2 3.3Å; V10-E14 HydrophobicContact CG1-CB 3.63Å; V10-E14 HydrophobicContact CG1-CG 4.45Å; V10-L18 HydrophobicContact CG1-CD1 4.26Å; V10-S40 WeakPolarHBondContact CG2-OG 3.26Å; V10-K45 PolarHBondContact O-NZ 3.33Å | ||
| 11 | C | 41.4 | Very low | 51.6 | Low | 87 Ų | 87 | 109.3 Ų | 109.3 | 59% | 0.588 | 56% | 0.559 | S | S | * | * | trans | -88.2 | 164.9 | 177.4 | -83 | 0 | 0 | 0 | 0 | 113.1 | F9 G13 E14 | F9-C11 PolarHBondContact O-N 2.81Å; C11-G13 PolarHBondContact O-N 2.67Å; C11-G13 VanDerWaalsContact O-N 3.12Å; C11-E14 PolarHBondContact N-OE1 2.93Å; C11-E14 WeakPolarHBondContact O-CB 3.29Å; C11-E14 PolarHBondContact O-N 3.41Å | ||
| 12 | L | 45.3 | Very low | 54.2 | Low | 162 Ų | 162 | 99.6 Ų | 99.6 | 85% | 0.848 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -30.2 | -174.3 | -88.4 | 163.4 | 0 | 0 | 0 | 115 | E14 | L12-E14 VanDerWaalsContact C-N 3.32Š|
| 13 | G | 55.6 | Low | 56.7 | Low | 60 Ų | 60 | 94.9 Ų | 94.9 | 62% | 0.619 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -27.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | C11 I15 F16 | C11-G13 PolarHBondContact O-N 2.67Å; C11-G13 VanDerWaalsContact O-N 3.12Å; G13-I15 VanDerWaalsContact C-N 3.31Å; G13-I15 PolarHBondContact O-N 3.04Å; G13-F16 PolarHBondContact O-N 3.35Å |
| 14 | E | 65.1 | Low | 59.2 | Low | 52 Ų | 52 | 90.2 Ų | 90.2 | 24% | 0.243 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -72.3 | -22 | -175.8 | -69.6 | 168.5 | -117.7 | 0 | 0 | 112.5 | V10 C11 L12 F16 E17 L18 | V10-E14 WeakPolarHBondContact CA-OE2 3.3Å; V10-E14 HydrophobicContact CG1-CB 3.63Å; V10-E14 HydrophobicContact CG1-CG 4.45Å; C11-E14 PolarHBondContact N-OE1 2.93Å; C11-E14 WeakPolarHBondContact O-CB 3.29Å; C11-E14 PolarHBondContact O-N 3.41Å; L12-E14 VanDerWaalsContact C-N 3.32Å; E14-F16 PolarHBondContact O-N 2.69Å; E14-E17 PolarHBondContact O-N 2.97Å; E14-E17 VanDerWaalsContact O-N 3.12Å; E14-L18 WeakPolarHBondContact O-CB 3.43Å; E14-L18 WeakPolarHBondContact O-CG 3.19Å; E14-L18 PolarHBondContact O-N 2.93Å |
| 15 | I | 72 | Confident | 61.3 | Low | 51 Ų | 51 | 89 Ų | 89 | 26% | 0.262 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.5 | -35.4 | 174 | -59.9 | 177.5 | 0 | 0 | 0 | 110.6 | G13 K19 L50 | G13-I15 VanDerWaalsContact C-N 3.31Å; G13-I15 PolarHBondContact O-N 3.04Å; I15-K19 PolarHBondContact O-N 3.5Å; I15-K19 VanDerWaalsContact O-N 3.08Å; I15-L50 HydrophobicContact CG2-CD1 4.48Å; I15-L50 HydrophobicContact CG2-CD2 4.14Å; I15-L50 HydrophobicContact CG2-CG 4.3Å |
| 16 | F | 75 | Confident | 63.7 | Low | 169 Ų | 169 | 87.7 Ų | 87.7 | 74% | 0.741 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -72.8 | -39.8 | 175.2 | -170 | -94.8 | 0 | 0 | 0 | 112.2 | G13 E14 K19 A20 | G13-F16 PolarHBondContact O-N 3.35Å; E14-F16 PolarHBondContact O-N 2.69Å; F16-K19 PolarHBondContact O-N 3.02Å; F16-A20 PolarHBondContact O-N 2.88Å; F16-A20 VanDerWaalsContact O-N 3.08Å |
| 17 | E | 78.9 | Confident | 65.8 | Low | 104 Ų | 104 | 89.2 Ų | 89.2 | 49% | 0.486 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 174.1 | -172.7 | 175.4 | -170.2 | 0 | 0 | 111.6 | E14 K19 A20 E21 | E14-E17 PolarHBondContact O-N 2.97Å; E14-E17 VanDerWaalsContact O-N 3.12Å; E17-K19 VanDerWaalsContact C-N 3.32Å; E17-K19 PolarHBondContact O-N 3.01Å; E17-A20 CarbonylContact O-C 3.37Å; E17-A20 WeakPolarHBondContact O-CA 3.25Å; E17-A20 WeakPolarHBondContact O-CB 3.48Å; E17-A20 PolarHBondContact O-N 3.33Å; E17-E21 WeakPolarHBondContact O-CG 3.44Å; E17-E21 PolarHBondContact O-N 2.92Å |
| 18 | L | 80.1 | Confident | 68 | Low | 2 Ų | 2 | 87.3 Ų | 87.3 | 1% | 0.01 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 174.4 | -70 | 172.1 | 0 | 0 | 0 | 111.6 | V10 E14 A20 E21 L22 A33 K36 V37 L50 | V10-L18 HydrophobicContact CG1-CD1 4.26Å; E14-L18 WeakPolarHBondContact O-CB 3.43Å; E14-L18 WeakPolarHBondContact O-CG 3.19Å; E14-L18 PolarHBondContact O-N 2.93Å; L18-A20 VanDerWaalsContact C-N 3.28Å; L18-A20 PolarHBondContact O-N 3.42Å; L18-E21 PolarHBondContact O-N 3.34Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.17Å; L18-L22 PolarHBondContact O-N 2.93Å; L18-A33 HydrophobicContact CD2-CB 4.48Å; L18-K36 HydrophobicContact CD2-CB 3.43Å; L18-K36 VanDerWaalsContact CD2-CB 3.43Å; L18-K36 HydrophobicContact CD2-CD 3.46Å; L18-K36 VanDerWaalsContact CD2-CD 3.46Å; L18-K36 HydrophobicContact CD2-CG 4.12Å; L18-V37 HydrophobicContact CD1-CG2 4.13Å; L18-V37 HydrophobicContact CD2-CG2 4.4Å; L18-L50 HydrophobicContact CB-CD1 4Å; L18-L50 HydrophobicContact CD1-CD1 4.31Å |
| 19 | K | 80.7 | Confident | 70.1 | Confident | 78 Ų | 78 | 84.6 Ų | 84.6 | 34% | 0.339 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 174.4 | -160.1 | 178.2 | -178.6 | 73.1 | 0 | 111.8 | I15 F16 E17 N23 L50 D53 | I15-K19 PolarHBondContact O-N 3.5Å; I15-K19 VanDerWaalsContact O-N 3.08Å; F16-K19 PolarHBondContact O-N 3.02Å; E17-K19 VanDerWaalsContact C-N 3.32Å; E17-K19 PolarHBondContact O-N 3.01Å; K19-N23 PolarHBondContact O-N 3.43Å; K19-N23 PolarHBondContact O-ND2 2.95Å; K19-L50 HydrophobicContact CB-CD2 3.74Å; K19-L50 HydrophobicContact CG-CD2 4.06Å; K19-D53 WeakPolarHBondContact CG-OD1 3.29Å; K19-D53 IonicContact NZ-OD1 2.71Å; K19-D53 PolarHBondContact NZ-OD1 3.26Å; K19-D53 IonicContact NZ-OD2 2.96Å; K19-D53 PolarHBondContact NZ-OD2 3.19Å |
| 20 | A | 80.9 | Confident | 72.2 | Confident | 62 Ų | 62 | 79.2 Ų | 79.2 | 51% | 0.512 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.9 | -36.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F16 E17 L18 S24 | F16-A20 PolarHBondContact O-N 2.88Å; F16-A20 VanDerWaalsContact O-N 3.08Å; E17-A20 CarbonylContact O-C 3.37Å; E17-A20 WeakPolarHBondContact O-CA 3.25Å; E17-A20 WeakPolarHBondContact O-CB 3.48Å; E17-A20 PolarHBondContact O-N 3.33Å; L18-A20 VanDerWaalsContact C-N 3.28Å; L18-A20 PolarHBondContact O-N 3.42Å; A20-S24 PolarHBondContact O-N 3.21Å |
| 21 | E | 81.9 | Confident | 74.1 | Confident | 22 Ų | 22 | 80.7 Ų | 80.7 | 10% | 0.103 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -72.6 | -39.7 | 176.4 | -67.2 | -169.8 | 130.9 | 0 | 0 | 112.9 | E17 L18 N23 S24 K29 A33 K36 | E17-E21 WeakPolarHBondContact O-CG 3.44Å; E17-E21 PolarHBondContact O-N 2.92Å; L18-E21 PolarHBondContact O-N 3.34Å; E21-N23 VanDerWaalsContact C-N 3.28Å; E21-N23 PolarHBondContact O-N 3.19Å; E21-S24 VanDerWaalsContact O-CB 3.28Å; E21-S24 WeakPolarHBondContact O-CB 3.17Å; E21-S24 PolarHBondContact O-N 3.46Å; E21-S24 VanDerWaalsContact O-N 3.13Å; E21-K29 IonicContact OE1-NZ 2.88Å; E21-A33 HydrophobicContact CB-CB 3.62Å; E21-K36 VanDerWaalsContact CD-NZ 3.34Å; E21-K36 IonicContact OE1-NZ 2.72Å; E21-K36 PolarHBondContact OE1-NZ 3.08Å; E21-K36 IonicContact OE2-NZ 3.89Å; E21-K36 PolarHBondContact OE2-NZ 2.79Å |
| 22 | L | 81.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.7 | -34.5 | 174.2 | -73.3 | 170.7 | 0 | 0 | 0 | 112.3 | L18 S24 K30 A33 V34 V37 L50 D53 V54 | L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.17Å; L18-L22 PolarHBondContact O-N 2.93Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-K30 VanDerWaalsContact O-CE 3.27Å; L22-K30 WeakPolarHBondContact O-CE 3.32Å; L22-K30 WeakPolarHBondContact O-CG 3.48Å; L22-K30 PolarHBondContact O-NZ 3.36Å; L22-A33 HydrophobicContact CD2-CB 3.81Å; L22-A33 HydrophobicContact CG-CB 3.89Å; L22-V34 HydrophobicContact CD2-CG2 3.46Å; L22-V34 VanDerWaalsContact CD2-CG2 3.46Å; L22-V37 HydrophobicContact CD1-CG2 4.35Å; L22-L50 HydrophobicContact CD1-CB 4.18Å; L22-L50 HydrophobicContact CD1-CD1 4.28Å; L22-L50 HydrophobicContact CD1-CD2 4.4Å; L22-D53 HydrophobicContact CB-CB 4.09Å; L22-D53 HydrophobicContact CD1-CB 3.94Å; L22-V54 HydrophobicContact CD1-CG2 3.93Å; L22-V54 HydrophobicContact CD2-CG2 4.4Å |
| 23 | N | 81.7 | Confident | 78.1 | Confident | 83 Ų | 83 | 72.5 Ų | 72.5 | 44% | 0.444 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 5.7 | 176.9 | -72.5 | -67.1 | 0 | 0 | 0 | 113.7 | K19 E21 D53 | K19-N23 PolarHBondContact O-N 3.43Å; K19-N23 PolarHBondContact O-ND2 2.95Å; E21-N23 VanDerWaalsContact C-N 3.28Å; E21-N23 PolarHBondContact O-N 3.19Å; N23-D53 PolarHBondContact ND2-OD1 2.86Å |
| 24 | S | 81.8 | Confident | 79.4 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 22% | 0.217 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -81.9 | 135.2 | 176.6 | -169.1 | 0 | 0 | 0 | 0 | 112.3 | A20 E21 L22 K26 K30 | A20-S24 PolarHBondContact O-N 3.21Å; E21-S24 VanDerWaalsContact O-CB 3.28Å; E21-S24 WeakPolarHBondContact O-CB 3.17Å; E21-S24 PolarHBondContact O-N 3.46Å; E21-S24 VanDerWaalsContact O-N 3.13Å; L22-S24 VanDerWaalsContact C-N 3.32Å; S24-K26 PolarHBondContact O-N 2.93Å; S24-K30 WeakPolarHBondContact O-CE 3.4Å; S24-K30 WeakPolarHBondContact O-CG 3.32Å |
| 25 | D | 73.1 | Confident | 80.4 | Confident | 159 Ų | 159 | 69.9 Ų | 69.9 | 85% | 0.85 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -60.2 | -16.7 | 179.9 | -50.7 | -71.2 | 0 | 0 | 0 | 114.5 | K27 | D25-K27 PolarHBondContact O-N 3.47Š|
| 26 | K | 80.8 | Confident | 81 | Confident | 147 Ų | 147 | 70.7 Ų | 70.7 | 64% | 0.639 | 34% | 0.34 | S | S | * | . | trans | -78 | 109.7 | -177.7 | -64.7 | -171.8 | 178.5 | -173.6 | 0 | 110.6 | S24 E28 K29 K30 | S24-K26 PolarHBondContact O-N 2.93Å; K26-E28 PolarHBondContact O-N 2.87Å; K26-E28 VanDerWaalsContact O-N 3.12Å; K26-K29 HydrophobicContact CB-CB 4.2Å; K26-K29 HydrophobicContact CB-CG 4.28Å; K26-K29 WeakPolarHBondContact O-CA 3.49Å; K26-K29 WeakPolarHBondContact O-CB 3.44Å; K26-K29 PolarHBondContact O-N 3.36Å; K26-K30 PolarHBondContact O-N 3.47Å; K26-K30 VanDerWaalsContact O-N 3.15Å | ||
| 27 | K | 77.6 | Confident | 81.5 | Confident | 129 Ų | 129 | 62.7 Ų | 62.7 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -48 | -41 | 178.6 | -65.3 | -167.3 | 177.7 | -169 | 0 | 113.4 | D25 K30 K31 D61 | D25-K27 PolarHBondContact O-N 3.47Å; K27-K30 PolarHBondContact O-N 3.01Å; K27-K31 PolarHBondContact O-N 3.07Å; K27-D61 IonicContact NZ-OD2 3.75Å |
| 28 | E | 79.1 | Confident | 81.8 | Confident | 120 Ų | 120 | 58.3 Ų | 58.3 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.9 | -36.2 | 175.8 | -60.9 | -50.1 | 134.4 | 0 | 0 | 113.7 | K26 K31 E32 | K26-E28 PolarHBondContact O-N 2.87Å; K26-E28 VanDerWaalsContact O-N 3.12Å; E28-K31 WeakPolarHBondContact O-CB 3.28Å; E28-K31 PolarHBondContact O-N 2.72Å; E28-E32 PolarHBondContact O-N 2.85Å |
| 29 | K | 81.3 | Confident | 81.9 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 174 | -80.5 | -161.4 | 160.7 | -123.7 | 0 | 111.3 | E21 K26 K31 E32 A33 | E21-K29 IonicContact OE1-NZ 2.88Å; K26-K29 HydrophobicContact CB-CB 4.2Å; K26-K29 HydrophobicContact CB-CG 4.28Å; K26-K29 WeakPolarHBondContact O-CA 3.49Å; K26-K29 WeakPolarHBondContact O-CB 3.44Å; K26-K29 PolarHBondContact O-N 3.36Å; K29-K31 VanDerWaalsContact C-N 3.29Å; K29-K31 PolarHBondContact O-N 3.34Å; K29-E32 PolarHBondContact O-N 2.65Å; K29-A33 VanDerWaalsContact O-CB 3.23Å; K29-A33 WeakPolarHBondContact O-CB 3.48Å; K29-A33 PolarHBondContact O-N 3.16Å |
| 30 | K | 82.1 | Confident | 82 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 19% | 0.191 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 172.9 | -67.8 | -176.1 | 174.9 | -101.2 | 0 | 111.6 | L22 S24 K26 K27 A33 V34 C57 L65 | L22-K30 VanDerWaalsContact O-CE 3.27Å; L22-K30 WeakPolarHBondContact O-CE 3.32Å; L22-K30 WeakPolarHBondContact O-CG 3.48Å; L22-K30 PolarHBondContact O-NZ 3.36Å; S24-K30 WeakPolarHBondContact O-CE 3.4Å; S24-K30 WeakPolarHBondContact O-CG 3.32Å; K26-K30 PolarHBondContact O-N 3.47Å; K26-K30 VanDerWaalsContact O-N 3.15Å; K27-K30 PolarHBondContact O-N 3.01Å; K30-A33 PolarHBondContact O-N 2.67Å; K30-V34 WeakPolarHBondContact O-CB 3.39Å; K30-V34 WeakPolarHBondContact O-CG2 3.3Å; K30-V34 PolarHBondContact O-N 3.11Å; K30-C57 PolarHBondContact NZ-SG 3.19Å; K30-L65 HydrophobicContact CB-CD2 4.47Å |
| 31 | K | 81.4 | Confident | 82.1 | Confident | 40 Ų | 40 | 54 Ų | 54 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -51.9 | 176.6 | -173.9 | -178.8 | -175.9 | 173.8 | 0 | 112.3 | K27 E28 K29 V34 K35 E64 | K27-K31 PolarHBondContact O-N 3.07Å; E28-K31 WeakPolarHBondContact O-CB 3.28Å; E28-K31 PolarHBondContact O-N 2.72Å; K29-K31 VanDerWaalsContact C-N 3.29Å; K29-K31 PolarHBondContact O-N 3.34Å; K31-V34 PolarHBondContact O-N 3.09Å; K31-K35 WeakPolarHBondContact O-CG 3.42Å; K31-K35 PolarHBondContact O-N 2.98Å; K31-E64 WeakPolarHBondContact CE-OE2 3.22Å; K31-E64 IonicContact NZ-OE2 2.65Å; K31-E64 PolarHBondContact NZ-OE2 2.73Å |
| 32 | E | 83.6 | Confident | 82 | Confident | 77 Ų | 77 | 58.2 Ų | 58.2 | 36% | 0.36 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.9 | -34.8 | 177.8 | -61.3 | -45.9 | 119.7 | 0 | 0 | 112.7 | E28 K29 K35 K36 | E28-E32 PolarHBondContact O-N 2.85Å; K29-E32 PolarHBondContact O-N 2.65Å; E32-K35 WeakPolarHBondContact O-CB 3.35Å; E32-K35 PolarHBondContact O-N 2.86Å; E32-K35 WeakPolarHBondContact OE1-CD 3.32Å; E32-K35 WeakPolarHBondContact OE1-CE 3.22Å; E32-K35 IonicContact OE1-NZ 2.7Å; E32-K35 PolarHBondContact OE1-NZ 2.93Å; E32-K35 WeakPolarHBondContact OE2-CD 3.34Å; E32-K35 IonicContact OE2-NZ 3.53Å; E32-K35 PolarHBondContact OE2-NZ 3.35Å; E32-K36 WeakPolarHBondContact O-CG 3.28Å; E32-K36 PolarHBondContact O-N 3.48Å |
| 33 | A | 85.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63 | -49.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L18 E21 L22 K29 K30 K35 K36 V37 | L18-A33 HydrophobicContact CD2-CB 4.48Å; E21-A33 HydrophobicContact CB-CB 3.62Å; L22-A33 HydrophobicContact CD2-CB 3.81Å; L22-A33 HydrophobicContact CG-CB 3.89Å; K29-A33 VanDerWaalsContact O-CB 3.23Å; K29-A33 WeakPolarHBondContact O-CB 3.48Å; K29-A33 PolarHBondContact O-N 3.16Å; K30-A33 PolarHBondContact O-N 2.67Å; A33-K35 VanDerWaalsContact C-N 3.29Å; A33-K35 PolarHBondContact O-N 3.1Å; A33-K36 PolarHBondContact O-N 2.98Å; A33-K36 VanDerWaalsContact O-N 3.15Å; A33-V37 WeakPolarHBondContact O-CG2 3.37Å; A33-V37 PolarHBondContact O-N 2.85Å |
| 34 | V | 84.7 | Confident | 82 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.1 | -36.3 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L22 K30 K31 V37 I38 L65 L68 V69 | L22-V34 HydrophobicContact CD2-CG2 3.46Å; L22-V34 VanDerWaalsContact CD2-CG2 3.46Å; K30-V34 WeakPolarHBondContact O-CB 3.39Å; K30-V34 WeakPolarHBondContact O-CG2 3.3Å; K30-V34 PolarHBondContact O-N 3.11Å; K31-V34 PolarHBondContact O-N 3.09Å; V34-V37 PolarHBondContact O-N 3.37Å; V34-I38 HydrophobicContact CG1-CG1 4.45Å; V34-I38 WeakPolarHBondContact O-CG1 3.49Å; V34-I38 PolarHBondContact O-N 3.41Å; V34-L65 HydrophobicContact CB-CD1 3.92Å; V34-L65 HydrophobicContact CG1-CD1 4.19Å; V34-L65 HydrophobicContact CG2-CD1 3.79Å; V34-L68 HydrophobicContact CG1-CB 3.54Å; V34-L68 HydrophobicContact CG1-CD1 4.25Å; V34-V69 HydrophobicContact CG1-CG2 4.46Å; V34-V69 HydrophobicContact CG2-CG2 4.46Å |
| 35 | K | 85.6 | Confident | 81.9 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 24% | 0.243 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -49 | 171 | -74.5 | 168 | 159 | -179.2 | 0 | 112.4 | W5 K31 E32 A33 V37 I38 A39 L68 | W5-K35 HydrophobicContact CH2-CB 4.45Å; W5-K35 HydrophobicContact CH2-CD 4.47Å; W5-K35 HydrophobicContact CH2-CG 3.88Å; W5-K35 HydrophobicContact CZ3-CB 4.03Å; W5-K35 HydrophobicContact CZ3-CD 4.13Å; W5-K35 HydrophobicContact CZ3-CG 3.79Å; K31-K35 WeakPolarHBondContact O-CG 3.42Å; K31-K35 PolarHBondContact O-N 2.98Å; E32-K35 WeakPolarHBondContact O-CB 3.35Å; E32-K35 PolarHBondContact O-N 2.86Å; E32-K35 WeakPolarHBondContact OE1-CD 3.32Å; E32-K35 WeakPolarHBondContact OE1-CE 3.22Å; E32-K35 IonicContact OE1-NZ 2.7Å; E32-K35 PolarHBondContact OE1-NZ 2.93Å; E32-K35 WeakPolarHBondContact OE2-CD 3.34Å; E32-K35 IonicContact OE2-NZ 3.53Å; E32-K35 PolarHBondContact OE2-NZ 3.35Å; A33-K35 VanDerWaalsContact C-N 3.29Å; A33-K35 PolarHBondContact O-N 3.1Å; K35-V37 VanDerWaalsContact C-N 3.29Å; K35-V37 PolarHBondContact O-N 3.23Å; K35-I38 PolarHBondContact O-N 3.44Å; K35-A39 WeakPolarHBondContact O-CB 3.27Å; K35-A39 PolarHBondContact O-N 3.5Å; K35-L68 HydrophobicContact CG-CD1 4.14Å |
| 36 | K | 84.4 | Confident | 82.2 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 30% | 0.296 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.4 | -35.3 | 176.4 | -68.1 | 171.8 | -175.6 | 178.3 | 0 | 112.1 | L18 E21 E32 A33 A39 S40 | L18-K36 HydrophobicContact CD2-CB 3.43Å; L18-K36 VanDerWaalsContact CD2-CB 3.43Å; L18-K36 HydrophobicContact CD2-CD 3.46Å; L18-K36 VanDerWaalsContact CD2-CD 3.46Å; L18-K36 HydrophobicContact CD2-CG 4.12Å; E21-K36 VanDerWaalsContact CD-NZ 3.34Å; E21-K36 IonicContact OE1-NZ 2.72Å; E21-K36 PolarHBondContact OE1-NZ 3.08Å; E21-K36 IonicContact OE2-NZ 3.89Å; E21-K36 PolarHBondContact OE2-NZ 2.79Å; E32-K36 WeakPolarHBondContact O-CG 3.28Å; E32-K36 PolarHBondContact O-N 3.48Å; A33-K36 PolarHBondContact O-N 2.98Å; A33-K36 VanDerWaalsContact O-N 3.15Å; K36-A39 PolarHBondContact O-N 3.49Å; K36-S40 WeakPolarHBondContact O-CB 3.47Å; K36-S40 PolarHBondContact O-N 3.42Å; K36-S40 PolarHBondContact O-OG 2.99Å |
| 37 | V | 86.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -45.5 | 173.9 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L18 L22 A33 V34 K35 A39 S40 M41 V47 L50 V54 Y72 | L18-V37 HydrophobicContact CD1-CG2 4.13Å; L18-V37 HydrophobicContact CD2-CG2 4.4Å; L22-V37 HydrophobicContact CD1-CG2 4.35Å; A33-V37 WeakPolarHBondContact O-CG2 3.37Å; A33-V37 PolarHBondContact O-N 2.85Å; V34-V37 PolarHBondContact O-N 3.37Å; K35-V37 VanDerWaalsContact C-N 3.29Å; K35-V37 PolarHBondContact O-N 3.23Å; V37-A39 VanDerWaalsContact C-N 3.35Å; V37-A39 PolarHBondContact O-N 3.17Å; V37-S40 WeakPolarHBondContact O-CB 3.49Å; V37-S40 PolarHBondContact O-N 2.97Å; V37-M41 PolarHBondContact O-N 3.37Å; V37-V47 HydrophobicContact CG1-CB 4.22Å; V37-V47 HydrophobicContact CG1-CG2 3.96Å; V37-L50 HydrophobicContact CG2-CD1 3.57Å; V37-V54 HydrophobicContact CG1-CG2 4.49Å; V37-Y72 HydrophobicContact CG1-CD2 3.6Å; V37-Y72 HydrophobicContact CG1-CE2 3.63Å |
| 38 | I | 85.1 | Confident | 82.5 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 6% | 0.062 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 174.6 | -67.7 | -65.8 | 0 | 0 | 0 | 111.1 | V34 K35 S40 M41 T42 L68 L71 | V34-I38 HydrophobicContact CG1-CG1 4.45Å; V34-I38 WeakPolarHBondContact O-CG1 3.49Å; V34-I38 PolarHBondContact O-N 3.41Å; K35-I38 PolarHBondContact O-N 3.44Å; I38-S40 PolarHBondContact O-N 3.1Å; I38-M41 HydrophobicContact CD1-CE 3.6Å; I38-M41 HydrophobicContact CD1-SD 4.48Å; I38-M41 HydrophobicContact CG2-CE 4.46Å; I38-M41 WeakPolarHBondContact O-CB 3.47Å; I38-M41 PolarHBondContact O-N 3.47Å; I38-T42 PolarHBondContact O-N 3.04Å; I38-T42 PolarHBondContact O-OG1 2.85Å; I38-L68 HydrophobicContact CG1-CB 4.49Å; I38-L68 HydrophobicContact CG1-CD2 4.26Å; I38-L71 HydrophobicContact CD1-CB 4.34Å; I38-L71 HydrophobicContact CD1-CD2 4.3Å; I38-L71 HydrophobicContact CD1-CG 4.25Å; I38-L71 HydrophobicContact CG2-CD2 4.36Å |
| 39 | A | 81.6 | Confident | 82.6 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K35 K36 V37 M41 T42 V43 | K35-A39 WeakPolarHBondContact O-CB 3.27Å; K35-A39 PolarHBondContact O-N 3.5Å; K36-A39 PolarHBondContact O-N 3.49Å; V37-A39 VanDerWaalsContact C-N 3.35Å; V37-A39 PolarHBondContact O-N 3.17Å; A39-M41 VanDerWaalsContact C-N 3.34Å; A39-M41 PolarHBondContact O-N 2.94Å; A39-T42 WeakPolarHBondContact CA-OG1 3.33Å; A39-T42 PolarHBondContact O-N 2.79Å; A39-T42 PolarHBondContact O-OG1 3.49Å; A39-V43 WeakPolarHBondContact O-CG2 3.44Å; A39-V43 PolarHBondContact O-N 3.5Å |
| 40 | S | 81.7 | Confident | 82.7 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 175.1 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | V10 K36 V37 I38 V43 G44 K45 | V10-S40 WeakPolarHBondContact CG2-OG 3.26Å; K36-S40 WeakPolarHBondContact O-CB 3.47Å; K36-S40 PolarHBondContact O-N 3.42Å; K36-S40 PolarHBondContact O-OG 2.99Å; V37-S40 WeakPolarHBondContact O-CB 3.49Å; V37-S40 PolarHBondContact O-N 2.97Å; I38-S40 PolarHBondContact O-N 3.1Å; S40-V43 CarbonylContact O-C 3.56Å; S40-V43 PolarHBondContact O-N 2.89Å; S40-V43 VanDerWaalsContact O-N 3.17Å; S40-G44 PolarHBondContact O-N 3.13Å; S40-K45 PolarHBondContact O-N 3.27Å |
| 41 | M | 83.1 | Confident | 82.7 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.3 | -176.4 | -176.4 | 72.4 | 0 | 0 | 111.9 | V37 I38 A39 V43 G44 V47 L71 N75 Y76 | V37-M41 PolarHBondContact O-N 3.37Å; I38-M41 HydrophobicContact CD1-CE 3.6Å; I38-M41 HydrophobicContact CD1-SD 4.48Å; I38-M41 HydrophobicContact CG2-CE 4.46Å; I38-M41 WeakPolarHBondContact O-CB 3.47Å; I38-M41 PolarHBondContact O-N 3.47Å; A39-M41 VanDerWaalsContact C-N 3.34Å; A39-M41 PolarHBondContact O-N 2.94Å; M41-V43 PolarHBondContact O-N 2.95Å; M41-G44 PolarHBondContact O-N 3.26Å; M41-V47 HydrophobicContact CB-CG2 4.22Å; M41-L71 HydrophobicContact CE-CG 4.28Å; M41-N75 WeakPolarHBondContact CE-ND2 3.32Å; M41-N75 HydrophobicContact SD-CB 3.82Å; M41-N75 PolarHBondContact SD-ND2 3.38Å; M41-Y76 HydrophobicContact CB-CE2 4.35Å; M41-Y76 HydrophobicContact CG-CE2 3.79Å; M41-Y76 HydrophobicContact SD-CD2 4.14Å; M41-Y76 HydrophobicContact SD-CE2 3.69Å |
| 42 | T | 81.1 | Confident | 82.8 | Confident | 111 Ų | 111 | 39.5 Ų | 39.5 | 68% | 0.681 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -68.7 | -20.8 | 175.2 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | I38 A39 G44 | I38-T42 PolarHBondContact O-N 3.04Å; I38-T42 PolarHBondContact O-OG1 2.85Å; A39-T42 WeakPolarHBondContact CA-OG1 3.33Å; A39-T42 PolarHBondContact O-N 2.79Å; A39-T42 PolarHBondContact O-OG1 3.49Å; T42-G44 VanDerWaalsContact C-N 3.26Å |
| 43 | V | 82.6 | Confident | 82.8 | Confident | 70 Ų | 70 | 36.3 Ų | 36.3 | 42% | 0.424 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 3.5 | 171.8 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | A39 S40 M41 K45 | A39-V43 WeakPolarHBondContact O-CG2 3.44Å; A39-V43 PolarHBondContact O-N 3.5Å; S40-V43 CarbonylContact O-C 3.56Å; S40-V43 PolarHBondContact O-N 2.89Å; S40-V43 VanDerWaalsContact O-N 3.17Å; M41-V43 PolarHBondContact O-N 2.95Å; V43-K45 VanDerWaalsContact C-N 3.31Å; V43-K45 HydrophobicContact CG1-CD 4.16Å; V43-K45 HydrophobicContact CG1-CG 4.31Å; V43-K45 PolarHBondContact O-N 3.49Å |
| 44 | G | 78.8 | Confident | 82.7 | Confident | 70 Ų | 70 | 36.3 Ų | 36.3 | 72% | 0.722 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 17.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S40 M41 T42 | S40-G44 PolarHBondContact O-N 3.13Å; M41-G44 PolarHBondContact O-N 3.26Å; T42-G44 VanDerWaalsContact C-N 3.26Å |
| 45 | K | 81.3 | Confident | 82.5 | Confident | 70 Ų | 70 | 37 Ų | 37 | 30% | 0.304 | 23% | 0.229 | S | C | . | . | trans | -86.2 | 134.9 | 177.2 | -68.7 | 172.6 | 178.6 | 170.2 | 0 | 110.1 | V10 S40 V43 V47 Y76 | V10-K45 PolarHBondContact O-NZ 3.33Å; S40-K45 PolarHBondContact O-N 3.27Å; V43-K45 VanDerWaalsContact C-N 3.31Å; V43-K45 HydrophobicContact CG1-CD 4.16Å; V43-K45 HydrophobicContact CG1-CG 4.31Å; V43-K45 PolarHBondContact O-N 3.49Å; K45-V47 PolarHBondContact O-N 3.1Å; K45-Y76 PolarHBondContact O-OH 2.87Å | ||
| 46 | D | 78.8 | Confident | 82.3 | Confident | 97 Ų | 97 | 39.2 Ų | 39.2 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | trans | -68.8 | 120.9 | 176.2 | -173 | 24.6 | 0 | 0 | 0 | 111.4 | S48 Y76 | D46-S48 VanDerWaalsContact CG-OG 3.26Å; D46-S48 WeakPolarHBondContact OD1-CB 3.37Å; D46-S48 PolarHBondContact OD1-N 3.47Å; D46-S48 PolarHBondContact OD1-OG 3.31Å; D46-S48 VanDerWaalsContact OD1-OG 3.08Å; D46-S48 PolarHBondContact OD2-OG 3.12Å; D46-Y76 VanDerWaalsContact OD1-CE1 3.25Å; D46-Y76 WeakPolarHBondContact OD1-CE1 3.47Å | ||
| 47 | V | 83.5 | Confident | 82 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | trans | -120.9 | 20 | 174.4 | -75.9 | 0 | 0 | 0 | 0 | 111.6 | V37 M41 K45 A49 L50 Y72 Y76 | V37-V47 HydrophobicContact CG1-CB 4.22Å; V37-V47 HydrophobicContact CG1-CG2 3.96Å; M41-V47 HydrophobicContact CB-CG2 4.22Å; K45-V47 PolarHBondContact O-N 3.1Å; V47-A49 PolarHBondContact O-N 3.42Å; V47-L50 HydrophobicContact CB-CD1 4.38Å; V47-L50 HydrophobicContact CG1-CD1 4.41Å; V47-L50 PolarHBondContact O-N 3.43Å; V47-L50 VanDerWaalsContact O-N 3.09Å; V47-Y72 HydrophobicContact CB-CE2 4.4Å; V47-Y72 HydrophobicContact CG2-CD2 4.48Å; V47-Y72 HydrophobicContact CG2-CE2 3.86Å; V47-Y72 PolarHBondContact O-OH 3.31Å; V47-Y76 HydrophobicContact CG2-CE2 3.67Å; V47-Y76 WeakPolarHBondContact CG2-OH 3.47Å; V47-Y76 PolarHBondContact N-OH 3.1Å | ||
| 48 | S | 80.7 | Confident | 81.6 | Confident | 19 Ų | 19 | 36.1 Ų | 36.1 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -56.7 | -28.8 | 173.9 | 69.4 | 0 | 0 | 0 | 0 | 113.6 | D46 L50 F51 | D46-S48 VanDerWaalsContact CG-OG 3.26Å; D46-S48 WeakPolarHBondContact OD1-CB 3.37Å; D46-S48 PolarHBondContact OD1-N 3.47Å; D46-S48 PolarHBondContact OD1-OG 3.31Å; D46-S48 VanDerWaalsContact OD1-OG 3.08Å; D46-S48 PolarHBondContact OD2-OG 3.12Å; S48-L50 PolarHBondContact O-N 2.77Å; S48-L50 VanDerWaalsContact O-N 3.1Å; S48-F51 VanDerWaalsContact O-CB 3.24Å; S48-F51 WeakPolarHBondContact O-CB 3.26Å; S48-F51 PolarHBondContact O-N 3.45Å; S48-F51 VanDerWaalsContact O-N 3.09Å |
| 49 | A | 82.1 | Confident | 81.2 | Confident | 67 Ų | 67 | 42.8 Ų | 42.8 | 55% | 0.554 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -64.1 | -12.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V47 | V47-A49 PolarHBondContact O-N 3.42Š|
| 50 | L | 83.3 | Confident | 81 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -100 | 0.5 | 177.3 | -57.3 | 177.4 | 0 | 0 | 0 | 113.1 | I15 L18 K19 L22 V37 V47 S48 P52 D53 V54 | I15-L50 HydrophobicContact CG2-CD1 4.48Å; I15-L50 HydrophobicContact CG2-CD2 4.14Å; I15-L50 HydrophobicContact CG2-CG 4.3Å; L18-L50 HydrophobicContact CB-CD1 4Å; L18-L50 HydrophobicContact CD1-CD1 4.31Å; K19-L50 HydrophobicContact CB-CD2 3.74Å; K19-L50 HydrophobicContact CG-CD2 4.06Å; L22-L50 HydrophobicContact CD1-CB 4.18Å; L22-L50 HydrophobicContact CD1-CD1 4.28Å; L22-L50 HydrophobicContact CD1-CD2 4.4Å; V37-L50 HydrophobicContact CG2-CD1 3.57Å; V47-L50 HydrophobicContact CB-CD1 4.38Å; V47-L50 HydrophobicContact CG1-CD1 4.41Å; V47-L50 PolarHBondContact O-N 3.43Å; V47-L50 VanDerWaalsContact O-N 3.09Å; S48-L50 PolarHBondContact O-N 2.77Å; S48-L50 VanDerWaalsContact O-N 3.1Å; L50-P52 VanDerWaalsContact C-CD 3.48Å; L50-D53 PolarHBondContact O-N 2.9Å; L50-D53 VanDerWaalsContact O-N 3.08Å; L50-V54 HydrophobicContact CB-CG2 4.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.27Å; L50-V54 PolarHBondContact O-N 2.79Å |
| 51 | F | 82.2 | Confident | 80.7 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.4 | -43.2 | -174.2 | -165.1 | -73.6 | 0 | 0 | 0 | 113.7 | S48 D53 V54 V55 Y72 L73 Q80 M83 A84 | S48-F51 VanDerWaalsContact O-CB 3.24Å; S48-F51 WeakPolarHBondContact O-CB 3.26Å; S48-F51 PolarHBondContact O-N 3.45Å; S48-F51 VanDerWaalsContact O-N 3.09Å; F51-D53 PolarHBondContact O-N 3.12Å; F51-V54 PolarHBondContact O-N 3.13Å; F51-V55 HydrophobicContact CD1-CG2 3.71Å; F51-V55 HydrophobicContact CE1-CG2 3.6Å; F51-V55 HydrophobicContact CZ-CG2 4.45Å; F51-V55 WeakPolarHBondContact O-CB 3.34Å; F51-V55 WeakPolarHBondContact O-CG2 3.04Å; F51-V55 PolarHBondContact O-N 3.48Å; F51-Y72 VanDerWaalsContact CA-OH 3.28Å; F51-Y72 WeakPolarHBondContact CA-OH 3.5Å; F51-Y72 HydrophobicContact CB-CE1 4.19Å; F51-Y72 AromaticContact CD2-CE1 3.68Å; F51-Y72 HydrophobicContact CD2-CE1 3.68Å; F51-Y72 HydrophobicContact CE2-CE1 4.42Å; F51-Y72 HydrophobicContact CG-CE1 4.08Å; F51-Y72 PolarHBondContact N-OH 3.45Å; F51-Y72 VanDerWaalsContact N-OH 3.11Å; F51-L73 HydrophobicContact CE1-CD1 4.14Å; F51-L73 HydrophobicContact CE2-CD1 3.78Å; F51-L73 HydrophobicContact CZ-CD1 3.32Å; F51-Q80 VanDerWaalsContact CB-OE1 3.24Å; F51-Q80 HydrophobicContact CE2-CB 4.39Å; F51-M83 HydrophobicContact CB-CE 3.98Å; F51-M83 HydrophobicContact CD1-CB 3.85Å; F51-M83 HydrophobicContact CD1-CE 3.77Å; F51-M83 HydrophobicContact CE1-CB 3.55Å; F51-M83 HydrophobicContact CG-CE 4.12Å; F51-M83 HydrophobicContact CZ-CB 4.43Å; F51-A84 HydrophobicContact CZ-CB 4.35Å |
| 52 | P | 82.4 | Confident | 80.6 | Confident | 55 Ų | 55 | 50.2 Ų | 50.2 | 36% | 0.357 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.3 | -19.1 | 32.1 | 0 | 0 | 0 | 112.4 | L50 N56 M83 | L50-P52 VanDerWaalsContact C-CD 3.48Å; P52-N56 WeakPolarHBondContact O-CB 3.5Å; P52-N56 PolarHBondContact O-N 3.02Å; P52-N56 PolarHBondContact O-ND2 3.28Å; P52-M83 HydrophobicContact CG-CE 3.89Å; P52-M83 HydrophobicContact CG-SD 4.01Å |
| 53 | D | 83.6 | Confident | 80.6 | Confident | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.053 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.4 | -36.3 | -178 | -42.7 | -96.2 | 0 | 0 | 0 | 111.3 | K19 L22 N23 L50 F51 C57 | K19-D53 WeakPolarHBondContact CG-OD1 3.29Å; K19-D53 IonicContact NZ-OD1 2.71Å; K19-D53 PolarHBondContact NZ-OD1 3.26Å; K19-D53 IonicContact NZ-OD2 2.96Å; K19-D53 PolarHBondContact NZ-OD2 3.19Å; L22-D53 HydrophobicContact CB-CB 4.09Å; L22-D53 HydrophobicContact CD1-CB 3.94Å; N23-D53 PolarHBondContact ND2-OD1 2.86Å; L50-D53 PolarHBondContact O-N 2.9Å; L50-D53 VanDerWaalsContact O-N 3.08Å; F51-D53 PolarHBondContact O-N 3.12Å; D53-C57 PolarHBondContact O-N 3.39Å; D53-C57 PolarHBondContact O-SG 2.93Å |
| 54 | V | 83.8 | Confident | 80.6 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.6 | -42.6 | 176 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | L22 V37 L50 F51 N56 C57 M58 V69 Y72 | L22-V54 HydrophobicContact CD1-CG2 3.93Å; L22-V54 HydrophobicContact CD2-CG2 4.4Å; V37-V54 HydrophobicContact CG1-CG2 4.49Å; L50-V54 HydrophobicContact CB-CG2 4.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.27Å; L50-V54 PolarHBondContact O-N 2.79Å; F51-V54 PolarHBondContact O-N 3.13Å; V54-N56 VanDerWaalsContact C-N 3.33Å; V54-N56 PolarHBondContact O-N 2.92Å; V54-C57 WeakPolarHBondContact O-CA 3.26Å; V54-C57 WeakPolarHBondContact O-CB 3.28Å; V54-C57 PolarHBondContact O-N 3.25Å; V54-M58 PolarHBondContact O-N 2.86Å; V54-V69 HydrophobicContact CG1-CB 4.44Å; V54-V69 HydrophobicContact CG1-CG1 4.02Å; V54-V69 HydrophobicContact CG1-CG2 4.21Å; V54-Y72 HydrophobicContact CB-CD1 4.14Å; V54-Y72 HydrophobicContact CB-CE1 4.02Å; V54-Y72 HydrophobicContact CG1-CD1 3.53Å; V54-Y72 HydrophobicContact CG1-CE1 3.95Å; V54-Y72 HydrophobicContact CG1-CG 3.9Å; V54-Y72 HydrophobicContact CG2-CE1 4.35Å; V54-Y72 HydrophobicContact CG2-CE2 4.45Å |
| 55 | V | 81.6 | Confident | 80.9 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 174.2 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | F51 C57 M58 | F51-V55 HydrophobicContact CD1-CG2 3.71Å; F51-V55 HydrophobicContact CE1-CG2 3.6Å; F51-V55 HydrophobicContact CZ-CG2 4.45Å; F51-V55 WeakPolarHBondContact O-CB 3.34Å; F51-V55 WeakPolarHBondContact O-CG2 3.04Å; F51-V55 PolarHBondContact O-N 3.48Å; V55-C57 PolarHBondContact O-N 3.42Å; V55-M58 HydrophobicContact CG1-CE 4.43Å; V55-M58 WeakPolarHBondContact O-CB 3.45Å; V55-M58 PolarHBondContact O-N 3.19Å |
| 56 | N | 81.4 | Confident | 81.1 | Confident | 103 Ų | 103 | 43.7 Ų | 43.7 | 55% | 0.551 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.6 | -21.6 | 172.4 | -74.5 | -23.7 | 0 | 0 | 0 | 113.4 | P52 V54 | P52-N56 WeakPolarHBondContact O-CB 3.5Å; P52-N56 PolarHBondContact O-N 3.02Å; P52-N56 PolarHBondContact O-ND2 3.28Å; V54-N56 VanDerWaalsContact C-N 3.33Å; V54-N56 PolarHBondContact O-N 2.92Å |
| 57 | C | 77.8 | Confident | 81.4 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -2.6 | 174.7 | -65.2 | 0 | 0 | 0 | 0 | 113.8 | K30 D53 V54 V55 T60 V69 | K30-C57 PolarHBondContact NZ-SG 3.19Å; D53-C57 PolarHBondContact O-N 3.39Å; D53-C57 PolarHBondContact O-SG 2.93Å; V54-C57 WeakPolarHBondContact O-CA 3.26Å; V54-C57 WeakPolarHBondContact O-CB 3.28Å; V54-C57 PolarHBondContact O-N 3.25Å; V55-C57 PolarHBondContact O-N 3.42Å; C57-T60 WeakPolarHBondContact O-CG2 3.5Å; C57-V69 HydrophobicContact CB-CG2 4.38Å |
| 58 | M | 78 | Confident | 81.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -74.8 | -28.1 | 179.9 | -164.3 | 167.8 | 51.6 | 0 | 0 | 113.6 | V54 V55 T60 V69 Y70 L73 A87 T90 | V54-M58 PolarHBondContact O-N 2.86Å; V55-M58 HydrophobicContact CG1-CE 4.43Å; V55-M58 WeakPolarHBondContact O-CB 3.45Å; V55-M58 PolarHBondContact O-N 3.19Å; M58-T60 PolarHBondContact O-N 3.45Å; M58-V69 HydrophobicContact CB-CG1 3.72Å; M58-V69 HydrophobicContact CG-CG1 3.86Å; M58-V69 HydrophobicContact SD-CG1 4.23Å; M58-Y70 HydrophobicContact CG-CD1 4.31Å; M58-Y70 HydrophobicContact CG-CE1 3.9Å; M58-Y70 HydrophobicContact SD-CD1 4.04Å; M58-Y70 HydrophobicContact SD-CE1 3.73Å; M58-L73 HydrophobicContact SD-CD2 4.24Å; M58-A87 HydrophobicContact CE-CB 3.59Å; M58-A87 HydrophobicContact SD-CB 4.35Å; M58-T90 HydrophobicContact CE-CG2 3.92Å; M58-T90 HydrophobicContact CG-CG2 4.16Å | ||
| 59 | Q | 76.3 | Confident | 81.9 | Confident | 152 Ų | 152 | 44 Ų | 44 | 71% | 0.71 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -75.8 | 73.1 | 177 | -65.3 | -175.8 | 7.9 | 0 | 0 | 109.9 | T90 | Q59-T90 HydrophobicContact CG-CG2 4.32Š|
| 60 | T | 77.4 | Confident | 82.2 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 10% | 0.104 | 21% | 0.209 | C | C | . | . | trans | -148.6 | 139.3 | -174.6 | -162.8 | 0 | 0 | 0 | 0 | 111.9 | C57 M58 N62 L65 K66 | C57-T60 WeakPolarHBondContact O-CG2 3.5Å; M58-T60 PolarHBondContact O-N 3.45Å; T60-N62 PolarHBondContact O-N 3.13Å; T60-L65 HydrophobicContact CG2-CB 4Å; T60-L65 HydrophobicContact CG2-CD2 3.98Å; T60-L65 HydrophobicContact CG2-CG 4Å; T60-K66 WeakPolarHBondContact O-CE 3.29Å | ||
| 61 | D | 74.2 | Confident | 82.3 | Confident | 136 Ų | 136 | 44.1 Ų | 44.1 | 73% | 0.727 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -76.6 | -11.1 | 179.4 | -21.5 | -79.9 | 0 | 0 | 0 | 112.1 | K27 L63 | K27-D61 IonicContact NZ-OD2 3.75Å; D61-L63 PolarHBondContact O-N 2.74Å |
| 62 | N | 81.6 | Confident | 82.5 | Confident | 54 Ų | 54 | 44.1 Ų | 44.1 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | trans | -79.5 | 105.4 | -178.8 | -174.8 | -19.1 | 0 | 0 | 0 | 111 | T60 E64 L65 K66 | T60-N62 PolarHBondContact O-N 3.13Å; N62-E64 VanDerWaalsContact C-N 3.25Å; N62-E64 PolarHBondContact O-N 3.44Å; N62-E64 WeakPolarHBondContact OD1-CB 3.35Å; N62-E64 PolarHBondContact OD1-N 2.93Å; N62-L65 HydrophobicContact CB-CB 4.17Å; N62-L65 PolarHBondContact O-N 3.43Å; N62-K66 PolarHBondContact O-N 3.02Å | ||
| 63 | L | 81.9 | Confident | 82.7 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 34% | 0.335 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -51.8 | -36.3 | 177.1 | -179.7 | 64.7 | 0 | 0 | 0 | 114 | D61 K67 I102 L105 | D61-L63 PolarHBondContact O-N 2.74Å; L63-K67 VanDerWaalsContact O-CB 3.23Å; L63-K67 WeakPolarHBondContact O-CB 3.44Å; L63-K67 PolarHBondContact O-N 3.44Å; L63-I102 HydrophobicContact CD1-CG1 3.96Å; L63-L105 HydrophobicContact CD1-CD2 3.96Å |
| 64 | E | 82.8 | Confident | 82.6 | Confident | 107 Ų | 107 | 42.8 Ų | 42.8 | 50% | 0.5 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.4 | -44.8 | 177.6 | -59.8 | -175.8 | 151.6 | 0 | 0 | 111.2 | K31 N62 K67 L68 | K31-E64 WeakPolarHBondContact CE-OE2 3.22Å; K31-E64 IonicContact NZ-OE2 2.65Å; K31-E64 PolarHBondContact NZ-OE2 2.73Å; N62-E64 VanDerWaalsContact C-N 3.25Å; N62-E64 PolarHBondContact O-N 3.44Å; N62-E64 WeakPolarHBondContact OD1-CB 3.35Å; N62-E64 PolarHBondContact OD1-N 2.93Å; E64-K67 PolarHBondContact O-N 2.93Å; E64-L68 WeakPolarHBondContact O-CG 3.42Å; E64-L68 PolarHBondContact O-N 3.3Å; E64-L68 VanDerWaalsContact O-N 3.09Å |
| 65 | L | 84.1 | Confident | 82.6 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.8 | -44 | 179.7 | -172.6 | 56 | 0 | 0 | 0 | 110.6 | K30 V34 T60 N62 K67 L68 V69 | K30-L65 HydrophobicContact CB-CD2 4.47Å; V34-L65 HydrophobicContact CB-CD1 3.92Å; V34-L65 HydrophobicContact CG1-CD1 4.19Å; V34-L65 HydrophobicContact CG2-CD1 3.79Å; T60-L65 HydrophobicContact CG2-CB 4Å; T60-L65 HydrophobicContact CG2-CD2 3.98Å; T60-L65 HydrophobicContact CG2-CG 4Å; N62-L65 HydrophobicContact CB-CB 4.17Å; N62-L65 PolarHBondContact O-N 3.43Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.03Å; L65-L68 PolarHBondContact O-N 3.47Å; L65-V69 HydrophobicContact CD1-CG2 4.36Å; L65-V69 HydrophobicContact CG-CG2 4.49Å; L65-V69 VanDerWaalsContact O-CG2 3.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.34Å; L65-V69 PolarHBondContact O-N 2.95Å |
| 66 | K | 85.3 | Confident | 82.6 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.7 | -44.8 | 173.8 | -166.5 | 175.8 | -72.7 | -160.2 | 0 | 110.9 | T60 N62 L68 V69 Y70 D94 D97 I102 | T60-K66 WeakPolarHBondContact O-CE 3.29Å; N62-K66 PolarHBondContact O-N 3.02Å; K66-L68 PolarHBondContact O-N 3.14Å; K66-V69 PolarHBondContact O-N 3.11Å; K66-Y70 HydrophobicContact CD-CE1 4.31Å; K66-Y70 HydrophobicContact CG-CD1 4.15Å; K66-Y70 HydrophobicContact CG-CE1 3.62Å; K66-Y70 HydrophobicContact CG-CE2 4.4Å; K66-Y70 WeakPolarHBondContact O-CB 3.37Å; K66-Y70 VanDerWaalsContact O-CD1 3.23Å; K66-Y70 WeakPolarHBondContact O-CD1 3.4Å; K66-Y70 VanDerWaalsContact O-CG 3.29Å; K66-Y70 PolarHBondContact O-N 2.79Å; K66-D94 WeakPolarHBondContact CD-OD2 3.45Å; K66-D94 WeakPolarHBondContact CE-OD2 3.42Å; K66-D94 IonicContact NZ-OD1 3.85Å; K66-D94 PolarHBondContact NZ-OD1 3.5Å; K66-D94 IonicContact NZ-OD2 2.65Å; K66-D94 PolarHBondContact NZ-OD2 2.92Å; K66-D97 IonicContact NZ-OD2 2.99Å; K66-D97 PolarHBondContact NZ-OD2 3.46Å; K66-I102 HydrophobicContact CD-CG2 3.78Å |
| 67 | K | 86.6 | Confident | 82.5 | Confident | 99 Ų | 99 | 42.5 Ų | 42.5 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 174.9 | -177.8 | -175.9 | 176.3 | -172.9 | 0 | 113.5 | M1 L63 E64 L65 L71 L105 | M1-K67 PolarHBondContact SD-NZ 2.87Å; L63-K67 VanDerWaalsContact O-CB 3.23Å; L63-K67 WeakPolarHBondContact O-CB 3.44Å; L63-K67 PolarHBondContact O-N 3.44Å; E64-K67 PolarHBondContact O-N 2.93Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.03Å; K67-L71 WeakPolarHBondContact O-CB 3.44Å; K67-L71 PolarHBondContact O-N 2.84Å; K67-L71 VanDerWaalsContact O-N 3.11Å; K67-L105 HydrophobicContact CB-CD2 4.18Å |
| 68 | L | 86.6 | Confident | 82.4 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.4 | -42.3 | 178.5 | -67.2 | 169.7 | 0 | 0 | 0 | 111.9 | V34 K35 I38 E64 L65 K66 Y70 L71 Y72 | V34-L68 HydrophobicContact CG1-CB 3.54Å; V34-L68 HydrophobicContact CG1-CD1 4.25Å; K35-L68 HydrophobicContact CG-CD1 4.14Å; I38-L68 HydrophobicContact CG1-CB 4.49Å; I38-L68 HydrophobicContact CG1-CD2 4.26Å; E64-L68 WeakPolarHBondContact O-CG 3.42Å; E64-L68 PolarHBondContact O-N 3.3Å; E64-L68 VanDerWaalsContact O-N 3.09Å; L65-L68 PolarHBondContact O-N 3.47Å; K66-L68 PolarHBondContact O-N 3.14Å; L68-Y70 VanDerWaalsContact C-N 3.34Å; L68-Y70 PolarHBondContact O-N 3.36Å; L68-L71 WeakPolarHBondContact O-CB 3.14Å; L68-L71 PolarHBondContact O-N 2.94Å; L68-Y72 PolarHBondContact O-N 3.28Å |
| 69 | V | 86.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 175.8 | 171.4 | 0 | 0 | 0 | 0 | 111 | V34 V54 C57 M58 L65 K66 L71 Y72 L73 | V34-V69 HydrophobicContact CG1-CG2 4.46Å; V34-V69 HydrophobicContact CG2-CG2 4.46Å; V54-V69 HydrophobicContact CG1-CB 4.44Å; V54-V69 HydrophobicContact CG1-CG1 4.02Å; V54-V69 HydrophobicContact CG1-CG2 4.21Å; C57-V69 HydrophobicContact CB-CG2 4.38Å; M58-V69 HydrophobicContact CB-CG1 3.72Å; M58-V69 HydrophobicContact CG-CG1 3.86Å; M58-V69 HydrophobicContact SD-CG1 4.23Å; L65-V69 HydrophobicContact CD1-CG2 4.36Å; L65-V69 HydrophobicContact CG-CG2 4.49Å; L65-V69 VanDerWaalsContact O-CG2 3.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.34Å; L65-V69 PolarHBondContact O-N 2.95Å; K66-V69 PolarHBondContact O-N 3.11Å; V69-L71 VanDerWaalsContact C-N 3.34Å; V69-L71 PolarHBondContact O-N 3.08Å; V69-Y72 PolarHBondContact O-N 2.86Å; V69-L73 WeakPolarHBondContact O-CB 3.45Å; V69-L73 PolarHBondContact O-N 3.24Å |
| 70 | Y | 87.7 | Confident | 82.6 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 174.1 | -78.6 | 21.3 | 0 | 0 | 0 | 112.6 | M58 K66 L68 L73 M74 F91 D94 L105 A106 T109 | M58-Y70 HydrophobicContact CG-CD1 4.31Å; M58-Y70 HydrophobicContact CG-CE1 3.9Å; M58-Y70 HydrophobicContact SD-CD1 4.04Å; M58-Y70 HydrophobicContact SD-CE1 3.73Å; K66-Y70 HydrophobicContact CD-CE1 4.31Å; K66-Y70 HydrophobicContact CG-CD1 4.15Å; K66-Y70 HydrophobicContact CG-CE1 3.62Å; K66-Y70 HydrophobicContact CG-CE2 4.4Å; K66-Y70 WeakPolarHBondContact O-CB 3.37Å; K66-Y70 VanDerWaalsContact O-CD1 3.23Å; K66-Y70 WeakPolarHBondContact O-CD1 3.4Å; K66-Y70 VanDerWaalsContact O-CG 3.29Å; K66-Y70 PolarHBondContact O-N 2.79Å; L68-Y70 VanDerWaalsContact C-N 3.34Å; L68-Y70 PolarHBondContact O-N 3.36Å; Y70-L73 PolarHBondContact O-N 3.19Å; Y70-M74 WeakPolarHBondContact O-CG 3.3Å; Y70-M74 PolarHBondContact O-N 3.22Å; Y70-F91 AromaticContact CD1-CE1 3.87Å; Y70-F91 HydrophobicContact CD1-CE1 3.87Å; Y70-F91 HydrophobicContact CD2-CE1 4.11Å; Y70-F91 HydrophobicContact CE1-CD1 4.02Å; Y70-F91 AromaticContact CE1-CE1 3.54Å; Y70-F91 HydrophobicContact CE1-CE1 3.54Å; Y70-F91 HydrophobicContact CE1-CZ 4.49Å; Y70-F91 HydrophobicContact CE2-CD1 4.14Å; Y70-F91 AromaticContact CE2-CE1 3.81Å; Y70-F91 HydrophobicContact CE2-CE1 3.81Å; Y70-F91 HydrophobicContact CG-CE1 4.15Å; Y70-F91 AromaticContact CZ-CD1 3.66Å; Y70-F91 AromaticContact CZ-CE1 3.5Å; Y70-D94 WeakPolarHBondContact OH-CB 3.26Å; Y70-D94 PolarHBondContact OH-OD2 2.89Å; Y70-L105 HydrophobicContact CD2-CD1 4.05Å; Y70-L105 HydrophobicContact CD2-CD2 4.26Å; Y70-L105 HydrophobicContact CD2-CG 3.66Å; Y70-L105 HydrophobicContact CE2-CD2 4.4Å; Y70-L105 HydrophobicContact CE2-CG 3.78Å; Y70-A106 HydrophobicContact CE2-CB 4.27Å; Y70-T109 HydrophobicContact CD2-CG2 3.84Å; Y70-T109 WeakPolarHBondContact CD2-OG1 3.44Å; Y70-T109 HydrophobicContact CG-CG2 3.93Å |
| 71 | L | 86.1 | Confident | 82.6 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 36% | 0.356 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 176.9 | -179.4 | 61.4 | 0 | 0 | 0 | 112.2 | I38 M41 K67 L68 V69 M74 | I38-L71 HydrophobicContact CD1-CB 4.34Å; I38-L71 HydrophobicContact CD1-CD2 4.3Å; I38-L71 HydrophobicContact CD1-CG 4.25Å; I38-L71 HydrophobicContact CG2-CD2 4.36Å; M41-L71 HydrophobicContact CE-CG 4.28Å; K67-L71 WeakPolarHBondContact O-CB 3.44Å; K67-L71 PolarHBondContact O-N 2.84Å; K67-L71 VanDerWaalsContact O-N 3.11Å; L68-L71 WeakPolarHBondContact O-CB 3.14Å; L68-L71 PolarHBondContact O-N 2.94Å; V69-L71 VanDerWaalsContact C-N 3.34Å; V69-L71 PolarHBondContact O-N 3.08Å; L71-M74 HydrophobicContact CD1-CE 4.03Å |
| 72 | Y | 87 | Confident | 82.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 171.4 | 173.9 | -86.8 | 0 | 0 | 0 | 111.2 | V37 V47 F51 V54 L68 V69 M74 N75 Y76 | V37-Y72 HydrophobicContact CG1-CD2 3.6Å; V37-Y72 HydrophobicContact CG1-CE2 3.63Å; V47-Y72 HydrophobicContact CB-CE2 4.4Å; V47-Y72 HydrophobicContact CG2-CD2 4.48Å; V47-Y72 HydrophobicContact CG2-CE2 3.86Å; V47-Y72 PolarHBondContact O-OH 3.31Å; F51-Y72 VanDerWaalsContact CA-OH 3.28Å; F51-Y72 WeakPolarHBondContact CA-OH 3.5Å; F51-Y72 HydrophobicContact CB-CE1 4.19Å; F51-Y72 AromaticContact CD2-CE1 3.68Å; F51-Y72 HydrophobicContact CD2-CE1 3.68Å; F51-Y72 HydrophobicContact CE2-CE1 4.42Å; F51-Y72 HydrophobicContact CG-CE1 4.08Å; F51-Y72 PolarHBondContact N-OH 3.45Å; F51-Y72 VanDerWaalsContact N-OH 3.11Å; V54-Y72 HydrophobicContact CB-CD1 4.14Å; V54-Y72 HydrophobicContact CB-CE1 4.02Å; V54-Y72 HydrophobicContact CG1-CD1 3.53Å; V54-Y72 HydrophobicContact CG1-CE1 3.95Å; V54-Y72 HydrophobicContact CG1-CG 3.9Å; V54-Y72 HydrophobicContact CG2-CE1 4.35Å; V54-Y72 HydrophobicContact CG2-CE2 4.45Å; L68-Y72 PolarHBondContact O-N 3.28Å; V69-Y72 PolarHBondContact O-N 2.86Å; Y72-M74 PolarHBondContact O-N 2.8Å; Y72-N75 PolarHBondContact O-N 2.92Å; Y72-Y76 HydrophobicContact CD1-CD2 4.34Å; Y72-Y76 AromaticContact CD2-CD2 3.69Å; Y72-Y76 HydrophobicContact CD2-CD2 3.69Å; Y72-Y76 AromaticContact CD2-CE2 3.94Å; Y72-Y76 HydrophobicContact CD2-CE2 3.94Å; Y72-Y76 HydrophobicContact CE1-CD2 4.16Å; Y72-Y76 HydrophobicContact CE1-CG 4.48Å; Y72-Y76 AromaticContact CE2-CD2 3.51Å; Y72-Y76 HydrophobicContact CE2-CD2 3.51Å; Y72-Y76 AromaticContact CE2-CE2 3.71Å; Y72-Y76 HydrophobicContact CE2-CE2 3.71Å; Y72-Y76 HydrophobicContact CE2-CG 4.37Å; Y72-Y76 HydrophobicContact CG-CD2 4.12Å; Y72-Y76 AromaticContact CZ-CD2 3.75Å; Y72-Y76 PolarHBondContact O-N 2.91Å |
| 73 | L | 85.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66 | -38.9 | -175 | -177.2 | 55.5 | 0 | 0 | 0 | 112.8 | F51 M58 V69 Y70 N75 Y76 A77 A84 A87 F91 I113 | F51-L73 HydrophobicContact CE1-CD1 4.14Å; F51-L73 HydrophobicContact CE2-CD1 3.78Å; F51-L73 HydrophobicContact CZ-CD1 3.32Å; M58-L73 HydrophobicContact SD-CD2 4.24Å; V69-L73 WeakPolarHBondContact O-CB 3.45Å; V69-L73 PolarHBondContact O-N 3.24Å; Y70-L73 PolarHBondContact O-N 3.19Å; L73-N75 PolarHBondContact O-N 3.5Å; L73-Y76 PolarHBondContact O-N 3.04Å; L73-A77 HydrophobicContact CD1-CB 4.07Å; L73-A77 WeakPolarHBondContact O-CB 3.45Å; L73-A77 PolarHBondContact O-N 3.25Å; L73-A84 HydrophobicContact CD1-CB 4.45Å; L73-A87 HydrophobicContact CD2-CB 3.53Å; L73-F91 HydrophobicContact CD2-CE2 3.82Å; L73-F91 HydrophobicContact CD2-CZ 3.55Å; L73-F91 HydrophobicContact CG-CZ 4.49Å; L73-I113 HydrophobicContact CG-CD1 4.32Å |
| 74 | M | 82.5 | Confident | 82.1 | Confident | 36 Ų | 36 | 45.2 Ų | 45.2 | 18% | 0.177 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -34.7 | 175 | -73.5 | -176.5 | -63.1 | 0 | 0 | 113 | Y70 L71 Y72 T109 C112 | Y70-M74 WeakPolarHBondContact O-CG 3.3Å; Y70-M74 PolarHBondContact O-N 3.22Å; L71-M74 HydrophobicContact CD1-CE 4.03Å; Y72-M74 PolarHBondContact O-N 2.8Å; M74-T109 HydrophobicContact CG-CG2 3.78Å; M74-T109 HydrophobicContact SD-CG2 4.22Å; M74-C112 HydrophobicContact CG-CB 4Å; M74-C112 HydrophobicContact SD-CB 3.61Å |
| 75 | N | 82.8 | Confident | 81.9 | Confident | 88 Ų | 88 | 42.7 Ų | 42.7 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -81.4 | -45.7 | 179.8 | -73.9 | 0.5 | 0 | 0 | 0 | 112 | M41 Y72 L73 | M41-N75 WeakPolarHBondContact CE-ND2 3.32Å; M41-N75 HydrophobicContact SD-CB 3.82Å; M41-N75 PolarHBondContact SD-ND2 3.38Å; Y72-N75 PolarHBondContact O-N 2.92Å; L73-N75 PolarHBondContact O-N 3.5Å |
| 76 | Y | 82.4 | Confident | 81.4 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -88.6 | -15.4 | -173.6 | -76 | -74.3 | 0 | 0 | 0 | 115.5 | M41 K45 D46 V47 Y72 L73 K78 S79 Q80 | M41-Y76 HydrophobicContact CB-CE2 4.35Å; M41-Y76 HydrophobicContact CG-CE2 3.79Å; M41-Y76 HydrophobicContact SD-CD2 4.14Å; M41-Y76 HydrophobicContact SD-CE2 3.69Å; K45-Y76 PolarHBondContact O-OH 2.87Å; D46-Y76 VanDerWaalsContact OD1-CE1 3.25Å; D46-Y76 WeakPolarHBondContact OD1-CE1 3.47Å; V47-Y76 HydrophobicContact CG2-CE2 3.67Å; V47-Y76 WeakPolarHBondContact CG2-OH 3.47Å; V47-Y76 PolarHBondContact N-OH 3.1Å; Y72-Y76 HydrophobicContact CD1-CD2 4.34Å; Y72-Y76 AromaticContact CD2-CD2 3.69Å; Y72-Y76 HydrophobicContact CD2-CD2 3.69Å; Y72-Y76 AromaticContact CD2-CE2 3.94Å; Y72-Y76 HydrophobicContact CD2-CE2 3.94Å; Y72-Y76 HydrophobicContact CE1-CD2 4.16Å; Y72-Y76 HydrophobicContact CE1-CG 4.48Å; Y72-Y76 AromaticContact CE2-CD2 3.51Å; Y72-Y76 HydrophobicContact CE2-CD2 3.51Å; Y72-Y76 AromaticContact CE2-CE2 3.71Å; Y72-Y76 HydrophobicContact CE2-CE2 3.71Å; Y72-Y76 HydrophobicContact CE2-CG 4.37Å; Y72-Y76 HydrophobicContact CG-CD2 4.12Å; Y72-Y76 AromaticContact CZ-CD2 3.75Å; Y72-Y76 PolarHBondContact O-N 2.91Å; L73-Y76 PolarHBondContact O-N 3.04Å; Y76-K78 PolarHBondContact O-N 3.39Å; Y76-S79 PolarHBondContact O-N 2.77Å; Y76-Q80 PolarHBondContact O-N 3.46Å |
| 77 | A | 78.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -31.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L73 S79 Q80 P81 A84 I113 | L73-A77 HydrophobicContact CD1-CB 4.07Å; L73-A77 WeakPolarHBondContact O-CB 3.45Å; L73-A77 PolarHBondContact O-N 3.25Å; A77-S79 VanDerWaalsContact C-N 3.29Å; A77-S79 PolarHBondContact O-N 3.16Å; A77-Q80 CarbonylContact O-C 3.57Å; A77-Q80 PolarHBondContact O-N 3.36Å; A77-P81 WeakPolarHBondContact O-CA 3.42Å; A77-A84 HydrophobicContact CB-CB 3.84Å; A77-I113 HydrophobicContact CB-CG1 4.34Å; A77-I113 HydrophobicContact CB-CG2 3.81Å |
| 78 | K | 76.5 | Confident | 80.9 | Confident | 130 Ų | 130 | 43.4 Ų | 43.4 | 57% | 0.565 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -33.7 | 174.1 | -68.5 | -175.5 | 178 | -179.5 | 0 | 112.8 | Y76 | Y76-K78 PolarHBondContact O-N 3.39Š|
| 79 | S | 78.9 | Confident | 80.7 | Confident | 87 Ų | 87 | 47.4 Ų | 47.4 | 61% | 0.608 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -21.7 | -178.3 | -50 | 0 | 0 | 0 | 0 | 113 | Y76 A77 | Y76-S79 PolarHBondContact O-N 2.77Å; A77-S79 VanDerWaalsContact C-N 3.29Å; A77-S79 PolarHBondContact O-N 3.16Å |
| 80 | Q | 78.9 | Confident | 80.5 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 24% | 0.243 | 25% | 0.251 | C | S | . | . | trans | -141.1 | 66.7 | -177.6 | -67.3 | -176.5 | -8.4 | 0 | 0 | 111.4 | F51 Y76 A77 D82 M83 A84 | F51-Q80 VanDerWaalsContact CB-OE1 3.24Å; F51-Q80 HydrophobicContact CE2-CB 4.39Å; Y76-Q80 PolarHBondContact O-N 3.46Å; A77-Q80 CarbonylContact O-C 3.57Å; A77-Q80 PolarHBondContact O-N 3.36Å; Q80-D82 PolarHBondContact O-N 2.94Å; Q80-M83 PolarHBondContact O-N 2.81Å; Q80-A84 PolarHBondContact O-N 3.28Å | ||
| 81 | P | 78.3 | Confident | 80.5 | Confident | 49 Ų | 49 | 47.9 Ų | 47.9 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.3 | -37.7 | -171.7 | 24.5 | -34.7 | 0 | 0 | 0 | 113.5 | A77 M83 A84 I85 V115 | A77-P81 WeakPolarHBondContact O-CA 3.42Å; P81-M83 VanDerWaalsContact C-N 3.32Å; P81-M83 PolarHBondContact O-N 3.47Å; P81-A84 WeakPolarHBondContact O-CB 3.33Å; P81-A84 PolarHBondContact O-N 3.3Å; P81-A84 VanDerWaalsContact O-N 3.09Å; P81-I85 PolarHBondContact O-N 2.65Å; P81-V115 HydrophobicContact CB-CG1 3.94Å; P81-V115 HydrophobicContact CB-CG2 4.19Å |
| 82 | D | 78.3 | Confident | 80.4 | Confident | 106 Ų | 106 | 47 Ų | 47 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -68.4 | -29.4 | -177.1 | -61.4 | -56.2 | 0 | 0 | 0 | 113 | Q80 I85 K117 | Q80-D82 PolarHBondContact O-N 2.94Å; D82-I85 WeakPolarHBondContact O-CB 3.35Å; D82-K117 IonicContact OD1-NZ 3.76Å; D82-K117 PolarHBondContact OD1-NZ 2.72Å |
| 83 | M | 74.6 | Confident | 80.4 | Confident | 60 Ų | 60 | 53.4 Ų | 53.4 | 30% | 0.296 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -80.4 | -23.9 | 171.7 | -66.3 | -151.6 | -63.5 | 0 | 0 | 112.6 | F51 P52 Q80 P81 I85 M86 | F51-M83 HydrophobicContact CB-CE 3.98Å; F51-M83 HydrophobicContact CD1-CB 3.85Å; F51-M83 HydrophobicContact CD1-CE 3.77Å; F51-M83 HydrophobicContact CE1-CB 3.55Å; F51-M83 HydrophobicContact CG-CE 4.12Å; F51-M83 HydrophobicContact CZ-CB 4.43Å; P52-M83 HydrophobicContact CG-CE 3.89Å; P52-M83 HydrophobicContact CG-SD 4.01Å; Q80-M83 PolarHBondContact O-N 2.81Å; P81-M83 VanDerWaalsContact C-N 3.32Å; P81-M83 PolarHBondContact O-N 3.47Å; M83-I85 PolarHBondContact O-N 3.36Å; M83-M86 WeakPolarHBondContact O-CB 3.44Å; M83-M86 PolarHBondContact O-N 3.26Å |
| 84 | A | 74.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.4 | -26.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F51 L73 A77 Q80 P81 M86 A87 I118 | F51-A84 HydrophobicContact CZ-CB 4.35Å; L73-A84 HydrophobicContact CD1-CB 4.45Å; A77-A84 HydrophobicContact CB-CB 3.84Å; Q80-A84 PolarHBondContact O-N 3.28Å; P81-A84 WeakPolarHBondContact O-CB 3.33Å; P81-A84 PolarHBondContact O-N 3.3Å; P81-A84 VanDerWaalsContact O-N 3.09Å; A84-M86 PolarHBondContact O-N 3.43Å; A84-A87 WeakPolarHBondContact O-CB 3.39Å; A84-A87 PolarHBondContact O-N 2.91Å; A84-I118 HydrophobicContact CB-CD1 3.88Å |
| 85 | I | 77 | Confident | 80.7 | Confident | 54 Ų | 54 | 52.6 Ų | 52.6 | 28% | 0.277 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.1 | -34.9 | 173.3 | -57.6 | 172.6 | 0 | 0 | 0 | 111.3 | P81 D82 M83 A87 V88 K117 | P81-I85 PolarHBondContact O-N 2.65Å; D82-I85 WeakPolarHBondContact O-CB 3.35Å; M83-I85 PolarHBondContact O-N 3.36Å; I85-A87 PolarHBondContact O-N 2.93Å; I85-V88 WeakPolarHBondContact O-CB 3.2Å; I85-V88 PolarHBondContact O-N 2.7Å; I85-K117 HydrophobicContact CD1-CD 3.81Å |
| 86 | M | 75.1 | Confident | 81 | Confident | 120 Ų | 120 | 54.1 Ų | 54.1 | 59% | 0.591 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62 | -27 | 176.5 | -61.7 | -176.8 | 66.4 | 0 | 0 | 112.5 | M83 A84 | M83-M86 WeakPolarHBondContact O-CB 3.44Å; M83-M86 PolarHBondContact O-N 3.26Å; A84-M86 PolarHBondContact O-N 3.43Å |
| 87 | A | 78.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -76.9 | -27.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | M58 L73 A84 I85 N89 T90 F91 | M58-A87 HydrophobicContact CE-CB 3.59Å; M58-A87 HydrophobicContact SD-CB 4.35Å; L73-A87 HydrophobicContact CD2-CB 3.53Å; A84-A87 WeakPolarHBondContact O-CB 3.39Å; A84-A87 PolarHBondContact O-N 2.91Å; I85-A87 PolarHBondContact O-N 2.93Å; A87-N89 VanDerWaalsContact C-N 3.29Å; A87-N89 PolarHBondContact O-N 3.43Å; A87-T90 WeakPolarHBondContact O-CA 3.45Å; A87-T90 WeakPolarHBondContact O-CB 3.43Å; A87-T90 PolarHBondContact O-N 3.5Å; A87-F91 HydrophobicContact CB-CD2 4.14Å; A87-F91 HydrophobicContact CB-CE2 3.75Å; A87-F91 WeakPolarHBondContact O-CD2 3.38Å; A87-F91 PolarHBondContact O-N 2.65Å |
| 88 | V | 81.7 | Confident | 81.7 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -53.5 | -45.4 | -179.6 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | I85 T90 F91 V92 I118 Y121 | I85-V88 WeakPolarHBondContact O-CB 3.2Å; I85-V88 PolarHBondContact O-N 2.7Å; V88-T90 PolarHBondContact O-N 3.14Å; V88-T90 VanDerWaalsContact O-N 3.08Å; V88-F91 PolarHBondContact O-N 3.14Å; V88-F91 VanDerWaalsContact O-N 3.15Å; V88-V92 HydrophobicContact CG1-CG2 4.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.32Å; V88-V92 PolarHBondContact O-N 3.43Å; V88-I118 HydrophobicContact CG2-CB 4.44Å; V88-I118 HydrophobicContact CG2-CD1 4.1Å; V88-I118 HydrophobicContact CG2-CG1 3.82Å; V88-I118 HydrophobicContact CG2-CG2 4.12Å; V88-Y121 HydrophobicContact CG1-CD2 3.85Å; V88-Y121 HydrophobicContact CG1-CG 3.81Å; V88-Y121 HydrophobicContact CG2-CD2 4.46Å |
| 89 | N | 82.4 | Confident | 82.2 | Confident | 110 Ų | 110 | 57.4 Ų | 57.4 | 59% | 0.588 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.9 | -11.8 | 177.9 | -70.6 | -56.6 | 0 | 0 | 0 | 114.7 | A87 K93 | A87-N89 VanDerWaalsContact C-N 3.29Å; A87-N89 PolarHBondContact O-N 3.43Å; N89-K93 WeakPolarHBondContact O-CD 3.46Å; N89-K93 VanDerWaalsContact O-CE 3.29Å; N89-K93 WeakPolarHBondContact O-CE 3.28Å; N89-K93 WeakPolarHBondContact O-CG 3.39Å |
| 90 | T | 84.3 | Confident | 82.7 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -98.5 | -42.6 | 171.4 | -48.9 | 0 | 0 | 0 | 0 | 110.3 | M58 Q59 A87 V88 V92 K93 D94 | M58-T90 HydrophobicContact CE-CG2 3.92Å; M58-T90 HydrophobicContact CG-CG2 4.16Å; Q59-T90 HydrophobicContact CG-CG2 4.32Å; A87-T90 WeakPolarHBondContact O-CA 3.45Å; A87-T90 WeakPolarHBondContact O-CB 3.43Å; A87-T90 PolarHBondContact O-N 3.5Å; V88-T90 PolarHBondContact O-N 3.14Å; V88-T90 VanDerWaalsContact O-N 3.08Å; T90-V92 VanDerWaalsContact C-N 3.32Å; T90-V92 PolarHBondContact O-N 2.92Å; T90-K93 WeakPolarHBondContact O-CB 3.37Å; T90-K93 PolarHBondContact O-N 2.92Å; T90-K93 VanDerWaalsContact O-N 3.11Å; T90-D94 WeakPolarHBondContact O-CB 3.5Å; T90-D94 VanDerWaalsContact O-CG 3.23Å; T90-D94 PolarHBondContact O-N 3.15Å |
| 91 | F | 86.2 | Confident | 83.1 | Confident | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.7 | -41.7 | 173.7 | -69.4 | -56.7 | 0 | 0 | 0 | 113.2 | Y70 L73 A87 V88 K93 D94 C95 A106 T109 M110 I113 | Y70-F91 AromaticContact CD1-CE1 3.87Å; Y70-F91 HydrophobicContact CD1-CE1 3.87Å; Y70-F91 HydrophobicContact CD2-CE1 4.11Å; Y70-F91 HydrophobicContact CE1-CD1 4.02Å; Y70-F91 AromaticContact CE1-CE1 3.54Å; Y70-F91 HydrophobicContact CE1-CE1 3.54Å; Y70-F91 HydrophobicContact CE1-CZ 4.49Å; Y70-F91 HydrophobicContact CE2-CD1 4.14Å; Y70-F91 AromaticContact CE2-CE1 3.81Å; Y70-F91 HydrophobicContact CE2-CE1 3.81Å; Y70-F91 HydrophobicContact CG-CE1 4.15Å; Y70-F91 AromaticContact CZ-CD1 3.66Å; Y70-F91 AromaticContact CZ-CE1 3.5Å; L73-F91 HydrophobicContact CD2-CE2 3.82Å; L73-F91 HydrophobicContact CD2-CZ 3.55Å; L73-F91 HydrophobicContact CG-CZ 4.49Å; A87-F91 HydrophobicContact CB-CD2 4.14Å; A87-F91 HydrophobicContact CB-CE2 3.75Å; A87-F91 WeakPolarHBondContact O-CD2 3.38Å; A87-F91 PolarHBondContact O-N 2.65Å; V88-F91 PolarHBondContact O-N 3.14Å; V88-F91 VanDerWaalsContact O-N 3.15Å; F91-K93 VanDerWaalsContact C-N 3.3Å; F91-K93 PolarHBondContact O-N 3.15Å; F91-D94 CarbonylContact O-C 3.58Å; F91-D94 PolarHBondContact O-N 2.98Å; F91-C95 PolarHBondContact O-N 3.39Å; F91-C95 PolarHBondContact O-SG 3.32Å; F91-C95 VanDerWaalsContact O-SG 3.34Å; F91-A106 HydrophobicContact CD1-CB 4.36Å; F91-T109 HydrophobicContact CE1-CG2 3.47Å; F91-T109 VanDerWaalsContact CE1-CG2 3.47Å; F91-T109 HydrophobicContact CZ-CG2 3.48Å; F91-T109 VanDerWaalsContact CZ-CG2 3.48Å; F91-M110 HydrophobicContact CB-CE 3.95Å; F91-M110 HydrophobicContact CB-CG 3.69Å; F91-M110 HydrophobicContact CB-SD 3.47Å; F91-M110 WeakPolarHBondContact CB-SD 3.47Å; F91-M110 HydrophobicContact CD1-CG 4.1Å; F91-M110 HydrophobicContact CD2-CG 3.65Å; F91-M110 HydrophobicContact CD2-SD 4.29Å; F91-M110 HydrophobicContact CE2-CG 4.24Å; F91-M110 HydrophobicContact CG-CG 3.58Å; F91-M110 HydrophobicContact CG-SD 4.06Å; F91-I113 HydrophobicContact CE2-CD1 3.83Å; F91-I113 HydrophobicContact CZ-CD1 3.95Å |
| 92 | V | 85.6 | Confident | 83.6 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 30% | 0.303 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | V88 T90 C95 P125 | V88-V92 HydrophobicContact CG1-CG2 4.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.32Å; V88-V92 PolarHBondContact O-N 3.43Å; T90-V92 VanDerWaalsContact C-N 3.32Å; T90-V92 PolarHBondContact O-N 2.92Å; V92-C95 PolarHBondContact O-N 2.94Å; V92-P125 HydrophobicContact CG2-CG 4.13Å |
| 93 | K | 86.6 | Confident | 84.1 | Confident | 135 Ų | 135 | 50.9 Ų | 50.9 | 59% | 0.587 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -70.3 | -41.8 | 174.4 | -63.6 | 173.4 | -175.2 | 175.1 | 0 | 111.6 | N89 T90 F91 C95 E96 D97 | N89-K93 WeakPolarHBondContact O-CD 3.46Å; N89-K93 VanDerWaalsContact O-CE 3.29Å; N89-K93 WeakPolarHBondContact O-CE 3.28Å; N89-K93 WeakPolarHBondContact O-CG 3.39Å; T90-K93 WeakPolarHBondContact O-CB 3.37Å; T90-K93 PolarHBondContact O-N 2.92Å; T90-K93 VanDerWaalsContact O-N 3.11Å; F91-K93 VanDerWaalsContact C-N 3.3Å; F91-K93 PolarHBondContact O-N 3.15Å; K93-C95 PolarHBondContact O-N 2.88Å; K93-E96 CarbonylContact O-C 3.49Å; K93-E96 WeakPolarHBondContact O-CA 3.4Å; K93-E96 PolarHBondContact O-N 2.78Å; K93-D97 PolarHBondContact O-N 2.61Å; K93-D97 VanDerWaalsContact O-N 3.09Å |
| 94 | D | 88 | Confident | 84.7 | Confident | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.059 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.6 | -18.8 | 178.1 | -68.2 | -6.2 | 0 | 0 | 0 | 112.2 | K66 Y70 T90 F91 D97 I102 R103 A106 | K66-D94 WeakPolarHBondContact CD-OD2 3.45Å; K66-D94 WeakPolarHBondContact CE-OD2 3.42Å; K66-D94 IonicContact NZ-OD1 3.85Å; K66-D94 PolarHBondContact NZ-OD1 3.5Å; K66-D94 IonicContact NZ-OD2 2.65Å; K66-D94 PolarHBondContact NZ-OD2 2.92Å; Y70-D94 WeakPolarHBondContact OH-CB 3.26Å; Y70-D94 PolarHBondContact OH-OD2 2.89Å; T90-D94 WeakPolarHBondContact O-CB 3.5Å; T90-D94 VanDerWaalsContact O-CG 3.23Å; T90-D94 PolarHBondContact O-N 3.15Å; F91-D94 CarbonylContact O-C 3.58Å; F91-D94 PolarHBondContact O-N 2.98Å; D94-D97 WeakPolarHBondContact O-CB 3.47Å; D94-I102 HydrophobicContact CB-CG2 3.96Å; D94-R103 VanDerWaalsContact O-CA 3.29Å; D94-R103 WeakPolarHBondContact O-CA 3.23Å; D94-R103 PolarHBondContact O-N 3.23Å; D94-A106 HydrophobicContact CB-CB 3.79Å |
| 95 | C | 86.4 | Confident | 85.4 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -12.7 | 166.5 | -74.4 | 0 | 0 | 0 | 0 | 113.9 | F91 V92 K93 R103 V107 M110 P125 | F91-C95 PolarHBondContact O-N 3.39Å; F91-C95 PolarHBondContact O-SG 3.32Å; F91-C95 VanDerWaalsContact O-SG 3.34Å; V92-C95 PolarHBondContact O-N 2.94Å; K93-C95 PolarHBondContact O-N 2.88Å; C95-R103 WeakPolarHBondContact O-CD 3.23Å; C95-R103 WeakPolarHBondContact O-CG 3.37Å; C95-V107 VanDerWaalsContact SG-CG2 3.56Å; C95-M110 WeakPolarHBondContact SG-CE 3.3Å; C95-P125 HydrophobicContact CB-CB 4Å |
| 96 | E | 87.8 | Confident | 85.9 | Confident | 121 Ų | 121 | 46.2 Ų | 46.2 | 57% | 0.565 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -109.2 | 4.2 | 174.2 | -61.9 | -172.9 | 154.5 | 0 | 0 | 112 | K93 K128 | K93-E96 CarbonylContact O-C 3.49Å; K93-E96 WeakPolarHBondContact O-CA 3.4Å; K93-E96 PolarHBondContact O-N 2.78Å; E96-K128 IonicContact OE1-NZ 2.72Å; E96-K128 PolarHBondContact OE1-NZ 3.07Å |
| 97 | D | 87.9 | Confident | 86.6 | Confident | 46 Ų | 46 | 40.6 Ų | 40.6 | 25% | 0.246 | 21% | 0.214 | C | C | . | . | trans | -60.8 | 138.3 | 177 | -123.2 | -28.3 | 0 | 0 | 0 | 111 | K66 K93 D94 N99 I102 R103 | K66-D97 IonicContact NZ-OD2 2.99Å; K66-D97 PolarHBondContact NZ-OD2 3.46Å; K93-D97 PolarHBondContact O-N 2.61Å; K93-D97 VanDerWaalsContact O-N 3.09Å; D94-D97 WeakPolarHBondContact O-CB 3.47Å; D97-N99 PolarHBondContact O-N 3.4Å; D97-I102 HydrophobicContact CB-CB 4.17Å; D97-I102 HydrophobicContact CB-CG2 4.1Å; D97-I102 VanDerWaalsContact OD2-CG2 3.29Å; D97-I102 WeakPolarHBondContact OD2-CG2 3.31Å; D97-R103 VanDerWaalsContact O-CD 3.27Å; D97-R103 WeakPolarHBondContact O-CD 3.38Å; D97-R103 WeakPolarHBondContact O-CG 3.42Å; D97-R103 PolarHBondContact O-NH1 3.02Å | ||
| 98 | P | 87.3 | Confident | 87.1 | Confident | 118 Ų | 118 | 45.6 Ų | 45.6 | 77% | 0.766 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -58.9 | -24.9 | 179.9 | -27 | 35.4 | 0 | 0 | 0 | 114.4 | P100 R103 | P98-P100 WeakPolarHBondContact O-CD 3.31Å; P98-R103 VanDerWaalsContact C-NH1 3.27Å; P98-R103 PolarHBondContact O-NH1 2.96Å |
| 99 | N | 88.1 | Confident | 87.3 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 32% | 0.321 | 23% | 0.232 | S | C | . | . | trans | -83.9 | 114.3 | -178.5 | -175.5 | -13.6 | 0 | 0 | 0 | 111.6 | D97 L101 I102 R103 | D97-N99 PolarHBondContact O-N 3.4Å; N99-L101 PolarHBondContact O-N 3.07Å; N99-L101 VanDerWaalsContact O-N 3.17Å; N99-L101 WeakPolarHBondContact OD1-CB 3.39Å; N99-L101 PolarHBondContact OD1-N 3.26Å; N99-I102 HydrophobicContact CB-CB 4.41Å; N99-I102 HydrophobicContact CB-CD1 3.98Å; N99-I102 HydrophobicContact CB-CG1 4.04Å; N99-I102 PolarHBondContact O-N 3.28Å; N99-R103 PolarHBondContact O-N 3.37Å | ||
| 100 | P | 89.1 | Confident | 87.4 | Confident | 31 Ų | 31 | 40.2 Ų | 40.2 | 20% | 0.201 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.4 | -27.6 | -178.8 | 24.8 | -33.9 | 0 | 0 | 0 | 113.1 | P98 I102 R103 A104 D134 V137 | P98-P100 WeakPolarHBondContact O-CD 3.31Å; P100-I102 VanDerWaalsContact C-N 3.28Å; P100-I102 PolarHBondContact O-N 2.83Å; P100-R103 PolarHBondContact O-N 3.37Å; P100-A104 VanDerWaalsContact O-CB 3.29Å; P100-A104 WeakPolarHBondContact O-CB 3.11Å; P100-A104 PolarHBondContact O-N 3.11Å; P100-D134 HydrophobicContact CB-CB 3.76Å; P100-D134 VanDerWaalsContact CB-CG 3.48Å; P100-D134 HydrophobicContact CG-CB 4.42Å; P100-D134 WeakPolarHBondContact CG-OD2 3.38Å; P100-V137 HydrophobicContact CB-CG2 3.61Å; P100-V137 WeakPolarHBondContact O-CG2 3.17Å |
| 101 | L | 87.7 | Confident | 87.4 | Confident | 79 Ų | 79 | 40 Ų | 40 | 41% | 0.414 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.7 | -28.8 | 175.8 | -59 | 178.9 | 0 | 0 | 0 | 112.2 | N99 L105 Y136 | N99-L101 PolarHBondContact O-N 3.07Å; N99-L101 VanDerWaalsContact O-N 3.17Å; N99-L101 WeakPolarHBondContact OD1-CB 3.39Å; N99-L101 PolarHBondContact OD1-N 3.26Å; L101-L105 WeakPolarHBondContact O-CB 3.42Å; L101-L105 PolarHBondContact O-N 3.43Å; L101-Y136 HydrophobicContact CD2-CD1 4.15Å; L101-Y136 HydrophobicContact CD2-CE1 4.13Å; L101-Y136 HydrophobicContact CD2-CG 4.45Å |
| 102 | I | 87.8 | Confident | 87.3 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -79 | -46.2 | 174.5 | -58.1 | 175.8 | 0 | 0 | 0 | 109.9 | L63 K66 D94 D97 N99 P100 A104 L105 A106 | L63-I102 HydrophobicContact CD1-CG1 3.96Å; K66-I102 HydrophobicContact CD-CG2 3.78Å; D94-I102 HydrophobicContact CB-CG2 3.96Å; D97-I102 HydrophobicContact CB-CB 4.17Å; D97-I102 HydrophobicContact CB-CG2 4.1Å; D97-I102 VanDerWaalsContact OD2-CG2 3.29Å; D97-I102 WeakPolarHBondContact OD2-CG2 3.31Å; N99-I102 HydrophobicContact CB-CB 4.41Å; N99-I102 HydrophobicContact CB-CD1 3.98Å; N99-I102 HydrophobicContact CB-CG1 4.04Å; N99-I102 PolarHBondContact O-N 3.28Å; P100-I102 VanDerWaalsContact C-N 3.28Å; P100-I102 PolarHBondContact O-N 2.83Å; I102-A104 PolarHBondContact O-N 3.09Å; I102-L105 PolarHBondContact O-N 2.88Å; I102-L105 VanDerWaalsContact O-N 3.08Å; I102-A106 WeakPolarHBondContact O-CB 3.3Å; I102-A106 PolarHBondContact O-N 3.17Å |
| 103 | R | 89.6 | Confident | 87.1 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54 | -51.2 | 176.4 | -59.9 | -162.5 | -63.4 | -83.6 | 8.9 | 112.1 | D94 C95 D97 P98 N99 P100 L105 A106 V107 D132 V137 | D94-R103 VanDerWaalsContact O-CA 3.29Å; D94-R103 WeakPolarHBondContact O-CA 3.23Å; D94-R103 PolarHBondContact O-N 3.23Å; C95-R103 WeakPolarHBondContact O-CD 3.23Å; C95-R103 WeakPolarHBondContact O-CG 3.37Å; D97-R103 VanDerWaalsContact O-CD 3.27Å; D97-R103 WeakPolarHBondContact O-CD 3.38Å; D97-R103 WeakPolarHBondContact O-CG 3.42Å; D97-R103 PolarHBondContact O-NH1 3.02Å; P98-R103 VanDerWaalsContact C-NH1 3.27Å; P98-R103 PolarHBondContact O-NH1 2.96Å; N99-R103 PolarHBondContact O-N 3.37Å; P100-R103 PolarHBondContact O-N 3.37Å; R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L105 PolarHBondContact O-N 2.85Å; R103-A106 PolarHBondContact O-N 2.94Å; R103-V107 WeakPolarHBondContact O-CG2 3.32Å; R103-V107 PolarHBondContact O-N 3.34Å; R103-D132 IonicContact CZ-OD1 2.6Å; R103-D132 IonicContact CZ-OD2 2.73Å; R103-D132 VanDerWaalsContact CZ-OD2 3.28Å; R103-D132 IonicContact NE-OD2 3.52Å; R103-D132 PolarHBondContact NE-OD2 3.09Å; R103-D132 VanDerWaalsContact NH2-CG 3.33Å; R103-D132 IonicContact NH2-OD1 2.83Å; R103-D132 PolarHBondContact NH2-OD1 3.05Å; R103-D132 IonicContact NH2-OD2 3.04Å; R103-D132 PolarHBondContact NH2-OD2 3.29Å; R103-V137 HydrophobicContact CB-CG2 4.24Å |
| 104 | A | 88.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P100 I102 R108 Y136 V137 T140 | P100-A104 VanDerWaalsContact O-CB 3.29Å; P100-A104 WeakPolarHBondContact O-CB 3.11Å; P100-A104 PolarHBondContact O-N 3.11Å; I102-A104 PolarHBondContact O-N 3.09Å; A104-R108 WeakPolarHBondContact O-CB 3.25Å; A104-R108 PolarHBondContact O-N 2.97Å; A104-Y136 HydrophobicContact CB-CD1 3.54Å; A104-Y136 HydrophobicContact CB-CE1 3.61Å; A104-V137 HydrophobicContact CB-CG2 4.22Å; A104-T140 HydrophobicContact CB-CG2 4.09Å; A104-T140 WeakPolarHBondContact O-CG2 3.39Å |
| 105 | L | 87.8 | Confident | 85.9 | Confident | 17 Ų | 17 | 40.5 Ų | 40.5 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -39.2 | 177.5 | 179 | 57.6 | 0 | 0 | 0 | 111.9 | L63 K67 Y70 L101 I102 R103 R108 T109 | L63-L105 HydrophobicContact CD1-CD2 3.96Å; K67-L105 HydrophobicContact CB-CD2 4.18Å; Y70-L105 HydrophobicContact CD2-CD1 4.05Å; Y70-L105 HydrophobicContact CD2-CD2 4.26Å; Y70-L105 HydrophobicContact CD2-CG 3.66Å; Y70-L105 HydrophobicContact CE2-CD2 4.4Å; Y70-L105 HydrophobicContact CE2-CG 3.78Å; L101-L105 WeakPolarHBondContact O-CB 3.42Å; L101-L105 PolarHBondContact O-N 3.43Å; I102-L105 PolarHBondContact O-N 2.88Å; I102-L105 VanDerWaalsContact O-N 3.08Å; R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L105 PolarHBondContact O-N 2.85Å; L105-R108 VanDerWaalsContact CD1-NH2 3.27Å; L105-T109 WeakPolarHBondContact O-CB 3.3Å; L105-T109 PolarHBondContact O-N 3.41Å; L105-T109 PolarHBondContact O-OG1 2.77Å |
| 106 | A | 88.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -51.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y70 F91 D94 I102 R103 R108 T109 M110 | Y70-A106 HydrophobicContact CE2-CB 4.27Å; F91-A106 HydrophobicContact CD1-CB 4.36Å; D94-A106 HydrophobicContact CB-CB 3.79Å; I102-A106 WeakPolarHBondContact O-CB 3.3Å; I102-A106 PolarHBondContact O-N 3.17Å; R103-A106 PolarHBondContact O-N 2.94Å; A106-R108 VanDerWaalsContact C-N 3.35Å; A106-R108 PolarHBondContact O-N 3.31Å; A106-T109 PolarHBondContact O-N 2.92Å; A106-M110 PolarHBondContact O-N 3.16Å |
| 107 | V | 88.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.7 | -48.2 | 175.1 | 174 | 0 | 0 | 0 | 0 | 111 | C95 R103 T109 M110 G111 L126 C129 C144 | C95-V107 VanDerWaalsContact SG-CG2 3.56Å; R103-V107 WeakPolarHBondContact O-CG2 3.32Å; R103-V107 PolarHBondContact O-N 3.34Å; V107-T109 VanDerWaalsContact C-N 3.29Å; V107-T109 PolarHBondContact O-N 3.17Å; V107-M110 PolarHBondContact O-N 3.04Å; V107-G111 PolarHBondContact O-N 3.11Å; V107-L126 HydrophobicContact CG1-CD1 3.93Å; V107-C129 HydrophobicContact CG2-CB 3.92Å; V107-C129 VanDerWaalsContact CG2-SG 3.57Å; V107-C144 HydrophobicContact CG1-CB 3.75Å; V107-C144 PolarHBondContact O-SG 2.66Å |
| 108 | R | 88.8 | Confident | 84.1 | Confident | 106 Ų | 106 | 43.7 Ų | 43.7 | 40% | 0.4 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.3 | -33.3 | -179 | -168.9 | -177 | 67.3 | 106.4 | 11.7 | 113.1 | A104 L105 A106 C112 T140 | A104-R108 WeakPolarHBondContact O-CB 3.25Å; A104-R108 PolarHBondContact O-N 2.97Å; L105-R108 VanDerWaalsContact CD1-NH2 3.27Å; A106-R108 VanDerWaalsContact C-N 3.35Å; A106-R108 PolarHBondContact O-N 3.31Å; R108-C112 PolarHBondContact O-SG 3.07Å; R108-T140 HydrophobicContact CB-CG2 3.69Å; R108-T140 HydrophobicContact CG-CG2 4.2Å |
| 109 | T | 87.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -79.6 | -40.6 | 177.9 | -80.3 | 0 | 0 | 0 | 0 | 111.8 | Y70 M74 F91 L105 A106 V107 G111 C112 I113 | Y70-T109 HydrophobicContact CD2-CG2 3.84Å; Y70-T109 WeakPolarHBondContact CD2-OG1 3.44Å; Y70-T109 HydrophobicContact CG-CG2 3.93Å; M74-T109 HydrophobicContact CG-CG2 3.78Å; M74-T109 HydrophobicContact SD-CG2 4.22Å; F91-T109 HydrophobicContact CE1-CG2 3.47Å; F91-T109 VanDerWaalsContact CE1-CG2 3.47Å; F91-T109 HydrophobicContact CZ-CG2 3.48Å; F91-T109 VanDerWaalsContact CZ-CG2 3.48Å; L105-T109 WeakPolarHBondContact O-CB 3.3Å; L105-T109 PolarHBondContact O-N 3.41Å; L105-T109 PolarHBondContact O-OG1 2.77Å; A106-T109 PolarHBondContact O-N 2.92Å; V107-T109 VanDerWaalsContact C-N 3.29Å; V107-T109 PolarHBondContact O-N 3.17Å; T109-G111 PolarHBondContact O-N 3.44Å; T109-C112 PolarHBondContact O-N 3.01Å; T109-C112 VanDerWaalsContact O-N 3.11Å; T109-I113 HydrophobicContact CG2-CD1 4.29Å; T109-I113 WeakPolarHBondContact O-CG1 3.43Å; T109-I113 PolarHBondContact O-N 3.31Å |
| 110 | M | 85.1 | Confident | 83.2 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -48 | 171.3 | -77.2 | -167.4 | -73.4 | 0 | 0 | 111.4 | F91 C95 A106 V107 C112 I113 L122 P125 | F91-M110 HydrophobicContact CB-CE 3.95Å; F91-M110 HydrophobicContact CB-CG 3.69Å; F91-M110 HydrophobicContact CB-SD 3.47Å; F91-M110 WeakPolarHBondContact CB-SD 3.47Å; F91-M110 HydrophobicContact CD1-CG 4.1Å; F91-M110 HydrophobicContact CD2-CG 3.65Å; F91-M110 HydrophobicContact CD2-SD 4.29Å; F91-M110 HydrophobicContact CE2-CG 4.24Å; F91-M110 HydrophobicContact CG-CG 3.58Å; F91-M110 HydrophobicContact CG-SD 4.06Å; C95-M110 WeakPolarHBondContact SG-CE 3.3Å; A106-M110 PolarHBondContact O-N 3.16Å; V107-M110 PolarHBondContact O-N 3.04Å; M110-C112 PolarHBondContact O-N 3.23Å; M110-I113 PolarHBondContact O-N 3.03Å; M110-L122 HydrophobicContact CB-CD1 3.83Å; M110-L122 HydrophobicContact CB-CD2 4.43Å; M110-L122 HydrophobicContact CE-CD1 3.85Å; M110-L122 HydrophobicContact SD-CD1 4.31Å; M110-P125 HydrophobicContact CE-CB 4.15Å; M110-P125 HydrophobicContact CE-CG 4.48Å |
| 111 | G | 83.1 | Confident | 82.9 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -0.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | V107 T109 K147 | V107-G111 PolarHBondContact O-N 3.11Å; T109-G111 PolarHBondContact O-N 3.44Å; G111-K147 WeakPolarHBondContact O-CB 3.3Å; G111-K147 WeakPolarHBondContact O-CD 3.37Å |
| 112 | C | 83.9 | Confident | 82.7 | Confident | 41 Ų | 41 | 43 Ų | 43 | 28% | 0.277 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -13.8 | 168.8 | -75.1 | 0 | 0 | 0 | 0 | 112.9 | M74 R108 T109 M110 R114 K147 | M74-C112 HydrophobicContact CG-CB 4Å; M74-C112 HydrophobicContact SD-CB 3.61Å; R108-C112 PolarHBondContact O-SG 3.07Å; T109-C112 PolarHBondContact O-N 3.01Å; T109-C112 VanDerWaalsContact O-N 3.11Å; M110-C112 PolarHBondContact O-N 3.23Å; C112-R114 PolarHBondContact O-N 2.93Å; C112-K147 PolarHBondContact SG-NZ 3.37Å |
| 113 | I | 81.3 | Confident | 82.6 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | trans | -89 | 98.6 | -176.7 | -63.8 | 165.2 | 0 | 0 | 0 | 108.9 | L73 A77 F91 T109 M110 V115 I118 | L73-I113 HydrophobicContact CG-CD1 4.32Å; A77-I113 HydrophobicContact CB-CG1 4.34Å; A77-I113 HydrophobicContact CB-CG2 3.81Å; F91-I113 HydrophobicContact CE2-CD1 3.83Å; F91-I113 HydrophobicContact CZ-CD1 3.95Å; T109-I113 HydrophobicContact CG2-CD1 4.29Å; T109-I113 WeakPolarHBondContact O-CG1 3.43Å; T109-I113 PolarHBondContact O-N 3.31Å; M110-I113 PolarHBondContact O-N 3.03Å; I113-V115 VanDerWaalsContact C-N 3.3Å; I113-V115 HydrophobicContact CG2-CB 4.14Å; I113-V115 HydrophobicContact CG2-CG2 3.82Å; I113-V115 PolarHBondContact O-N 3.22Å; I113-I118 HydrophobicContact CG2-CD1 3.85Å | ||
| 114 | R | 72.6 | Confident | 82.5 | Confident | 146 Ų | 146 | 46 Ų | 46 | 55% | 0.551 | 21% | 0.21 | S | C | * | . | trans | -75.2 | 78.2 | 175.2 | -59.2 | -167.1 | 177 | 179.4 | -4.8 | 110.8 | C112 I151 | C112-R114 PolarHBondContact O-N 2.93Å; R114-I151 HydrophobicContact CG-CD1 3.89Å; R114-I151 HydrophobicContact CG-CG1 4Å | ||
| 115 | V | 78.2 | Confident | 82.5 | Confident | 17 Ų | 17 | 46.4 Ų | 46.4 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | trans | -142.4 | 114 | 174.2 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | P81 I113 K117 I118 T119 | P81-V115 HydrophobicContact CB-CG1 3.94Å; P81-V115 HydrophobicContact CB-CG2 4.19Å; I113-V115 VanDerWaalsContact C-N 3.3Å; I113-V115 HydrophobicContact CG2-CB 4.14Å; I113-V115 HydrophobicContact CG2-CG2 3.82Å; I113-V115 PolarHBondContact O-N 3.22Å; V115-K117 VanDerWaalsContact C-N 3.3Å; V115-K117 PolarHBondContact O-N 3.44Å; V115-K117 VanDerWaalsContact O-N 3.15Å; V115-I118 HydrophobicContact CB-CD1 4.14Å; V115-I118 HydrophobicContact CB-CG1 4.26Å; V115-I118 HydrophobicContact CG1-CD1 4.31Å; V115-I118 HydrophobicContact CG1-CG1 4.23Å; V115-I118 WeakPolarHBondContact O-CA 3.48Å; V115-I118 WeakPolarHBondContact O-CB 3.37Å; V115-I118 PolarHBondContact O-N 3.4Å; V115-T119 PolarHBondContact O-N 3.25Å; V115-T119 PolarHBondContact O-OG1 3.12Å | ||
| 116 | D | 74.7 | Confident | 82.6 | Confident | 124 Ų | 124 | 45.6 Ų | 45.6 | 66% | 0.663 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -56.7 | -39.2 | -165.7 | -41.9 | -39.6 | 0 | 0 | 0 | 114 | I118 T119 | D116-I118 PolarHBondContact O-N 3.04Å; D116-I118 VanDerWaalsContact O-N 3.17Å; D116-T119 WeakPolarHBondContact CA-OG1 3.39Å; D116-T119 WeakPolarHBondContact O-CB 3.34Å; D116-T119 PolarHBondContact O-N 2.85Å; D116-T119 VanDerWaalsContact O-N 3.14Å; D116-T119 PolarHBondContact O-OG1 2.9Å |
| 117 | K | 74.4 | Confident | 82.6 | Confident | 116 Ų | 116 | 49.5 Ų | 49.5 | 50% | 0.504 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.3 | -24.1 | 175.4 | -61.8 | 176.4 | -174.7 | 170.8 | 0 | 113.5 | D82 I85 V115 Y121 | D82-K117 IonicContact OD1-NZ 3.76Å; D82-K117 PolarHBondContact OD1-NZ 2.72Å; I85-K117 HydrophobicContact CD1-CD 3.81Å; V115-K117 VanDerWaalsContact C-N 3.3Å; V115-K117 PolarHBondContact O-N 3.44Å; V115-K117 VanDerWaalsContact O-N 3.15Å; K117-Y121 WeakPolarHBondContact O-CD2 3.28Å; K117-Y121 WeakPolarHBondContact O-CE2 3.3Å |
| 118 | I | 74.7 | Confident | 82.6 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -88.8 | -29.8 | 179.8 | -61.1 | -177.4 | 0 | 0 | 0 | 110.5 | A84 V88 I113 V115 D116 E120 Y121 L122 | A84-I118 HydrophobicContact CB-CD1 3.88Å; V88-I118 HydrophobicContact CG2-CB 4.44Å; V88-I118 HydrophobicContact CG2-CD1 4.1Å; V88-I118 HydrophobicContact CG2-CG1 3.82Å; V88-I118 HydrophobicContact CG2-CG2 4.12Å; I113-I118 HydrophobicContact CG2-CD1 3.85Å; V115-I118 HydrophobicContact CB-CD1 4.14Å; V115-I118 HydrophobicContact CB-CG1 4.26Å; V115-I118 HydrophobicContact CG1-CD1 4.31Å; V115-I118 HydrophobicContact CG1-CG1 4.23Å; V115-I118 WeakPolarHBondContact O-CA 3.48Å; V115-I118 WeakPolarHBondContact O-CB 3.37Å; V115-I118 PolarHBondContact O-N 3.4Å; D116-I118 PolarHBondContact O-N 3.04Å; D116-I118 VanDerWaalsContact O-N 3.17Å; I118-E120 VanDerWaalsContact C-N 3.32Å; I118-E120 PolarHBondContact O-N 3.2Å; I118-Y121 PolarHBondContact O-N 3.36Å; I118-Y121 VanDerWaalsContact O-N 3.12Å; I118-L122 PolarHBondContact O-N 2.77Å |
| 119 | T | 75.5 | Confident | 82.6 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.3 | -45.6 | 175.4 | -48.9 | 0 | 0 | 0 | 0 | 111.9 | V115 D116 Y121 L122 C123 L148 I151 L155 | V115-T119 PolarHBondContact O-N 3.25Å; V115-T119 PolarHBondContact O-OG1 3.12Å; D116-T119 WeakPolarHBondContact CA-OG1 3.39Å; D116-T119 WeakPolarHBondContact O-CB 3.34Å; D116-T119 PolarHBondContact O-N 2.85Å; D116-T119 VanDerWaalsContact O-N 3.14Å; D116-T119 PolarHBondContact O-OG1 2.9Å; T119-Y121 PolarHBondContact O-N 3.49Å; T119-L122 PolarHBondContact O-N 3.22Å; T119-C123 PolarHBondContact O-SG 3.18Å; T119-L148 HydrophobicContact CG2-CD1 3.34Å; T119-I151 HydrophobicContact CG2-CG2 4.44Å; T119-L155 HydrophobicContact CG2-CD1 4.18Å; T119-L155 HydrophobicContact CG2-CD2 4.26Å |
| 120 | E | 80.3 | Confident | 82.8 | Confident | 133 Ų | 133 | 49 Ų | 49 | 62% | 0.621 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61 | -44.2 | 176 | -66.7 | 178.5 | -165.5 | 0 | 0 | 112.4 | I118 L122 C123 | I118-E120 VanDerWaalsContact C-N 3.32Å; I118-E120 PolarHBondContact O-N 3.2Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 3.46Å; E120-C123 VanDerWaalsContact O-CB 3.3Å; E120-C123 WeakPolarHBondContact O-CB 3.21Å; E120-C123 PolarHBondContact O-N 2.98Å; E120-C123 PolarHBondContact O-SG 3.11Å |
| 121 | Y | 82.6 | Confident | 83 | Confident | 128 Ų | 128 | 56.2 Ų | 56.2 | 50% | 0.502 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -73.9 | -20.2 | -178.1 | -61.2 | -57.1 | 0 | 0 | 0 | 114.3 | V88 K117 I118 T119 C123 P125 | V88-Y121 HydrophobicContact CG1-CD2 3.85Å; V88-Y121 HydrophobicContact CG1-CG 3.81Å; V88-Y121 HydrophobicContact CG2-CD2 4.46Å; K117-Y121 WeakPolarHBondContact O-CD2 3.28Å; K117-Y121 WeakPolarHBondContact O-CE2 3.3Å; I118-Y121 PolarHBondContact O-N 3.36Å; I118-Y121 VanDerWaalsContact O-N 3.12Å; T119-Y121 PolarHBondContact O-N 3.49Å; Y121-C123 VanDerWaalsContact C-N 3.26Å; Y121-C123 PolarHBondContact O-N 3.12Å; Y121-P125 WeakPolarHBondContact O-CD 3.37Å |
| 122 | L | 85 | Confident | 83.4 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.3 | -24.7 | 173.3 | 170.8 | 59.1 | 0 | 0 | 0 | 112.4 | M110 I118 T119 E120 E124 P125 L126 L148 | M110-L122 HydrophobicContact CB-CD1 3.83Å; M110-L122 HydrophobicContact CB-CD2 4.43Å; M110-L122 HydrophobicContact CE-CD1 3.85Å; M110-L122 HydrophobicContact SD-CD1 4.31Å; I118-L122 PolarHBondContact O-N 2.77Å; T119-L122 PolarHBondContact O-N 3.22Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 3.46Å; L122-E124 PolarHBondContact O-N 3.27Å; L122-P125 WeakPolarHBondContact O-CD 3.49Å; L122-L126 HydrophobicContact CD1-CB 4.18Å; L122-L126 HydrophobicContact CG-CB 4.35Å; L122-L126 WeakPolarHBondContact O-CB 3.45Å; L122-L126 PolarHBondContact O-N 2.82Å; L122-L148 HydrophobicContact CD2-CD1 4.3Å |
| 123 | C | 85.3 | Confident | 83.6 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 5% | 0.054 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -51.9 | -166.4 | -65.4 | 0 | 0 | 0 | 0 | 114.3 | T119 E120 Y121 L126 R127 Q159 F161 | T119-C123 PolarHBondContact O-SG 3.18Å; E120-C123 VanDerWaalsContact O-CB 3.3Å; E120-C123 WeakPolarHBondContact O-CB 3.21Å; E120-C123 PolarHBondContact O-N 2.98Å; E120-C123 PolarHBondContact O-SG 3.11Å; Y121-C123 VanDerWaalsContact C-N 3.26Å; Y121-C123 PolarHBondContact O-N 3.12Å; C123-L126 PolarHBondContact O-N 3.49Å; C123-R127 WeakPolarHBondContact O-CB 3.35Å; C123-R127 PolarHBondContact O-N 2.94Å; C123-Q159 PolarHBondContact SG-NE2 3.31Å; C123-F161 HydrophobicContact CB-CZ 4.41Å; C123-F161 WeakPolarHBondContact O-CZ 3.09Å |
| 124 | E | 85.9 | Confident | 84.1 | Confident | 100 Ų | 100 | 65.7 Ų | 65.7 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.9 | -44.2 | -179.6 | 176.8 | 59.1 | -164.4 | 0 | 0 | 112.9 | L122 L126 R127 K128 | L122-E124 PolarHBondContact O-N 3.27Å; E124-L126 VanDerWaalsContact C-N 3.3Å; E124-L126 PolarHBondContact O-N 3.33Å; E124-R127 PolarHBondContact O-N 3.17Å; E124-K128 WeakPolarHBondContact O-CG 3.42Å; E124-K128 PolarHBondContact O-N 3.24Å; E124-K128 VanDerWaalsContact OE1-CE 3.22Å; E124-K128 WeakPolarHBondContact OE1-CE 3.5Å |
| 125 | P | 88.4 | Confident | 84.9 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.9 | -42.2 | 167.7 | -27.6 | 34.8 | 0 | 0 | 0 | 113.8 | V92 C95 M110 Y121 L122 K128 C129 | V92-P125 HydrophobicContact CG2-CG 4.13Å; C95-P125 HydrophobicContact CB-CB 4Å; M110-P125 HydrophobicContact CE-CB 4.15Å; M110-P125 HydrophobicContact CE-CG 4.48Å; Y121-P125 WeakPolarHBondContact O-CD 3.37Å; L122-P125 WeakPolarHBondContact O-CD 3.49Å; P125-K128 PolarHBondContact O-N 3.12Å; P125-C129 WeakPolarHBondContact O-CB 3.29Å; P125-C129 PolarHBondContact O-N 3.37Å; P125-C129 PolarHBondContact O-SG 2.68Å |
| 126 | L | 89.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 178.4 | -177.3 | 60.1 | 0 | 0 | 0 | 111.5 | V107 L122 C123 E124 K128 C129 L130 A141 C144 V145 L148 F161 | V107-L126 HydrophobicContact CG1-CD1 3.93Å; L122-L126 HydrophobicContact CD1-CB 4.18Å; L122-L126 HydrophobicContact CG-CB 4.35Å; L122-L126 WeakPolarHBondContact O-CB 3.45Å; L122-L126 PolarHBondContact O-N 2.82Å; C123-L126 PolarHBondContact O-N 3.49Å; E124-L126 VanDerWaalsContact C-N 3.3Å; E124-L126 PolarHBondContact O-N 3.33Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3.34Å; L126-C129 PolarHBondContact O-N 3.12Å; L126-L130 HydrophobicContact CD1-CG 4.48Å; L126-L130 HydrophobicContact CG-CD1 4.35Å; L126-L130 WeakPolarHBondContact O-CG 3.46Å; L126-L130 PolarHBondContact O-N 3.35Å; L126-A141 HydrophobicContact CD1-CB 3.85Å; L126-C144 HydrophobicContact CD1-CB 3.79Å; L126-V145 HydrophobicContact CD1-CG2 4.39Å; L126-V145 HydrophobicContact CD2-CG2 4.01Å; L126-V145 HydrophobicContact CG-CG2 4.39Å; L126-L148 HydrophobicContact CD2-CD2 3.6Å; L126-F161 HydrophobicContact CB-CZ 4.45Å; L126-F161 HydrophobicContact CD2-CE1 4.35Å; L126-F161 HydrophobicContact CD2-CE2 4.48Å; L126-F161 HydrophobicContact CD2-CZ 4.26Å; L126-F161 HydrophobicContact CG-CE1 4.23Å; L126-F161 HydrophobicContact CG-CZ 4.45Å |
| 127 | R | 89.3 | Confident | 86.3 | Confident | 83 Ų | 83 | 59 Ų | 59 | 31% | 0.313 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 176.1 | -168.1 | 178.4 | -62.1 | -85.8 | -4.8 | 112.4 | C123 E124 Q159 F161 | C123-R127 WeakPolarHBondContact O-CB 3.35Å; C123-R127 PolarHBondContact O-N 2.94Å; E124-R127 PolarHBondContact O-N 3.17Å; R127-Q159 PolarHBondContact NH1-O 3.36Å; R127-Q159 PolarHBondContact NH2-O 2.55Å; R127-Q159 VanDerWaalsContact NH2-OE1 3.12Å; R127-F161 HydrophobicContact CB-CE1 3.97Å; R127-F161 HydrophobicContact CB-CZ 4.44Å |
| 128 | K | 88.8 | Confident | 87.2 | Confident | 92 Ų | 92 | 54.9 Ų | 54.9 | 40% | 0.4 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65 | -50.4 | 171.2 | -70.3 | 170.9 | 176.7 | 171.1 | 0 | 111.4 | E96 E124 P125 L126 L130 K131 D132 | E96-K128 IonicContact OE1-NZ 2.72Å; E96-K128 PolarHBondContact OE1-NZ 3.07Å; E124-K128 WeakPolarHBondContact O-CG 3.42Å; E124-K128 PolarHBondContact O-N 3.24Å; E124-K128 VanDerWaalsContact OE1-CE 3.22Å; E124-K128 WeakPolarHBondContact OE1-CE 3.5Å; P125-K128 PolarHBondContact O-N 3.12Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3.34Å; K128-L130 VanDerWaalsContact C-N 3.34Å; K128-L130 PolarHBondContact O-N 2.85Å; K128-K131 CarbonylContact O-C 3.5Å; K128-K131 WeakPolarHBondContact O-CA 3.36Å; K128-K131 PolarHBondContact O-N 2.97Å; K128-D132 PolarHBondContact O-N 3.39Å |
| 129 | C | 89.7 | Confident | 87.9 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.2 | -22.3 | -175.2 | -72.6 | 0 | 0 | 0 | 0 | 114.9 | V107 P125 L126 K131 V137 A141 | V107-C129 HydrophobicContact CG2-CB 3.92Å; V107-C129 VanDerWaalsContact CG2-SG 3.57Å; P125-C129 WeakPolarHBondContact O-CB 3.29Å; P125-C129 PolarHBondContact O-N 3.37Å; P125-C129 PolarHBondContact O-SG 2.68Å; L126-C129 PolarHBondContact O-N 3.12Å; C129-K131 PolarHBondContact O-N 2.73Å; C129-V137 HydrophobicContact CB-CG1 3.6Å; C129-A141 HydrophobicContact CB-CB 4.07Å |
| 130 | L | 89.6 | Confident | 88.7 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -21.7 | 167.4 | -71.9 | 166.4 | 0 | 0 | 0 | 112.5 | L126 K128 R138 A141 V145 F161 T164 L168 | L126-L130 HydrophobicContact CD1-CG 4.48Å; L126-L130 HydrophobicContact CG-CD1 4.35Å; L126-L130 WeakPolarHBondContact O-CG 3.46Å; L126-L130 PolarHBondContact O-N 3.35Å; K128-L130 VanDerWaalsContact C-N 3.34Å; K128-L130 PolarHBondContact O-N 2.85Å; L130-R138 WeakPolarHBondContact O-CD 3.38Å; L130-A141 HydrophobicContact CD2-CB 3.66Å; L130-A141 HydrophobicContact CG-CB 3.89Å; L130-V145 HydrophobicContact CD1-CG2 4.06Å; L130-V145 HydrophobicContact CD2-CG2 4.11Å; L130-F161 HydrophobicContact CD1-CD1 3.6Å; L130-F161 HydrophobicContact CD1-CE1 3.99Å; L130-T164 HydrophobicContact CB-CG2 4.03Å; L130-T164 HydrophobicContact CD1-CG2 3.93Å; L130-T164 HydrophobicContact CG-CG2 4.48Å; L130-L168 HydrophobicContact CD2-CD1 3.68Å |
| 131 | K | 90.5 | Very high | 89.2 | Confident | 154 Ų | 154 | 50.3 Ų | 50.3 | 67% | 0.67 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 20 | -179.1 | -58.2 | -173.2 | 179.7 | -172.6 | 0 | 112.8 | K128 C129 | K128-K131 CarbonylContact O-C 3.5Å; K128-K131 WeakPolarHBondContact O-CA 3.36Å; K128-K131 PolarHBondContact O-N 2.97Å; C129-K131 PolarHBondContact O-N 2.73Å |
| 132 | D | 90.6 | Very high | 89.6 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | trans | -69 | 147.1 | 176.1 | -159.2 | -62.8 | 0 | 0 | 0 | 111 | R103 K128 D134 V137 R138 | R103-D132 IonicContact CZ-OD1 2.6Å; R103-D132 IonicContact CZ-OD2 2.73Å; R103-D132 VanDerWaalsContact CZ-OD2 3.28Å; R103-D132 IonicContact NE-OD2 3.52Å; R103-D132 PolarHBondContact NE-OD2 3.09Å; R103-D132 VanDerWaalsContact NH2-CG 3.33Å; R103-D132 IonicContact NH2-OD1 2.83Å; R103-D132 PolarHBondContact NH2-OD1 3.05Å; R103-D132 IonicContact NH2-OD2 3.04Å; R103-D132 PolarHBondContact NH2-OD2 3.29Å; K128-D132 PolarHBondContact O-N 3.39Å; D132-D134 PolarHBondContact O-N 2.67Å; D132-D134 WeakPolarHBondContact OD1-CB 3.35Å; D132-D134 PolarHBondContact OD1-N 2.76Å; D132-V137 HydrophobicContact CB-CB 3.79Å; D132-V137 HydrophobicContact CB-CG1 3.68Å; D132-V137 WeakPolarHBondContact OD2-CG1 3.45Å; D132-R138 HydrophobicContact CB-CG 4.28Å; D132-R138 WeakPolarHBondContact O-CD 3.48Å; D132-R138 WeakPolarHBondContact O-CG 3.22Å; D132-R138 PolarHBondContact O-NH1 2.78Å | ||
| 133 | E | 88.3 | Confident | 89.9 | Confident | 178 Ų | 178 | 46.3 Ų | 46.3 | 83% | 0.832 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -61.2 | -33.1 | 173.5 | -63.9 | -64.3 | 151.8 | 0 | 0 | 111.9 | P135 R138 | E133-P135 WeakPolarHBondContact O-CD 3.5Å; E133-R138 VanDerWaalsContact C-NH1 3.27Å; E133-R138 PolarHBondContact O-NH1 3.4Å |
| 134 | D | 92.1 | Very high | 90.1 | Very high | 47 Ų | 47 | 46 Ų | 46 | 25% | 0.251 | 21% | 0.213 | S | C | . | . | trans | -84.3 | 122.5 | -173.4 | -174.1 | -74.6 | 0 | 0 | 0 | 113.2 | P100 D132 Y136 V137 R138 | P100-D134 HydrophobicContact CB-CB 3.76Å; P100-D134 VanDerWaalsContact CB-CG 3.48Å; P100-D134 HydrophobicContact CG-CB 4.42Å; P100-D134 WeakPolarHBondContact CG-OD2 3.38Å; D132-D134 PolarHBondContact O-N 2.67Å; D132-D134 WeakPolarHBondContact OD1-CB 3.35Å; D132-D134 PolarHBondContact OD1-N 2.76Å; D134-Y136 VanDerWaalsContact C-N 3.28Å; D134-Y136 PolarHBondContact O-N 2.94Å; D134-Y136 VanDerWaalsContact OD1-CA 3.24Å; D134-Y136 WeakPolarHBondContact OD1-CA 3.46Å; D134-Y136 WeakPolarHBondContact OD1-CB 3.46Å; D134-Y136 PolarHBondContact OD1-N 3.17Å; D134-V137 HydrophobicContact CB-CB 4.45Å; D134-V137 HydrophobicContact CB-CG2 4.02Å; D134-V137 PolarHBondContact O-N 2.87Å; D134-V137 PolarHBondContact OD1-N 2.85Å; D134-R138 PolarHBondContact O-N 3.15Å; D134-R138 VanDerWaalsContact O-N 3.08Å | ||
| 135 | P | 89.8 | Confident | 90.3 | Very high | 39 Ų | 39 | 41.3 Ų | 41.3 | 25% | 0.253 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.1 | -24.2 | 179.8 | -24.3 | 35 | 0 | 0 | 0 | 115.2 | E133 V137 K139 N173 V176 | E133-P135 WeakPolarHBondContact O-CD 3.5Å; P135-V137 VanDerWaalsContact C-N 3.34Å; P135-K139 WeakPolarHBondContact O-CB 3.32Å; P135-K139 WeakPolarHBondContact O-CG 3.48Å; P135-K139 PolarHBondContact O-N 3.08Å; P135-K139 VanDerWaalsContact O-N 3.08Å; P135-N173 HydrophobicContact CB-CB 4Å; P135-N173 HydrophobicContact CG-CB 4.12Å; P135-V176 HydrophobicContact CB-CG2 3.84Å |
| 136 | Y | 90.5 | Very high | 90.3 | Very high | 108 Ų | 108 | 40.9 Ų | 40.9 | 42% | 0.424 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71.3 | -32.5 | 173.6 | -170.4 | -79.9 | 0 | 0 | 0 | 110.9 | L101 A104 D134 T140 | L101-Y136 HydrophobicContact CD2-CD1 4.15Å; L101-Y136 HydrophobicContact CD2-CE1 4.13Å; L101-Y136 HydrophobicContact CD2-CG 4.45Å; A104-Y136 HydrophobicContact CB-CD1 3.54Å; A104-Y136 HydrophobicContact CB-CE1 3.61Å; D134-Y136 VanDerWaalsContact C-N 3.28Å; D134-Y136 PolarHBondContact O-N 2.94Å; D134-Y136 VanDerWaalsContact OD1-CA 3.24Å; D134-Y136 WeakPolarHBondContact OD1-CA 3.46Å; D134-Y136 WeakPolarHBondContact OD1-CB 3.46Å; D134-Y136 PolarHBondContact OD1-N 3.17Å; Y136-T140 VanDerWaalsContact O-CB 3.31Å; Y136-T140 WeakPolarHBondContact O-CB 3.39Å; Y136-T140 PolarHBondContact O-N 3.05Å; Y136-T140 PolarHBondContact O-OG1 3.09Å |
| 137 | V | 92.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.6 | -52 | 171.5 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | P100 R103 A104 C129 D132 D134 P135 K139 T140 A141 | P100-V137 HydrophobicContact CB-CG2 3.61Å; P100-V137 WeakPolarHBondContact O-CG2 3.17Å; R103-V137 HydrophobicContact CB-CG2 4.24Å; A104-V137 HydrophobicContact CB-CG2 4.22Å; C129-V137 HydrophobicContact CB-CG1 3.6Å; D132-V137 HydrophobicContact CB-CB 3.79Å; D132-V137 HydrophobicContact CB-CG1 3.68Å; D132-V137 WeakPolarHBondContact OD2-CG1 3.45Å; D134-V137 HydrophobicContact CB-CB 4.45Å; D134-V137 HydrophobicContact CB-CG2 4.02Å; D134-V137 PolarHBondContact O-N 2.87Å; D134-V137 PolarHBondContact OD1-N 2.85Å; P135-V137 VanDerWaalsContact C-N 3.34Å; V137-K139 PolarHBondContact O-N 3.2Å; V137-T140 WeakPolarHBondContact O-CA 3.47Å; V137-T140 WeakPolarHBondContact O-CB 3.48Å; V137-T140 PolarHBondContact O-N 3.02Å; V137-A141 PolarHBondContact O-N 3.19Å |
| 138 | R | 92.8 | Very high | 90 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 11% | 0.106 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -46.6 | -177.5 | -65.4 | -158.5 | -59 | -78 | 5.8 | 113.6 | L130 D132 E133 D134 T140 A141 A142 D171 V176 | L130-R138 WeakPolarHBondContact O-CD 3.38Å; D132-R138 HydrophobicContact CB-CG 4.28Å; D132-R138 WeakPolarHBondContact O-CD 3.48Å; D132-R138 WeakPolarHBondContact O-CG 3.22Å; D132-R138 PolarHBondContact O-NH1 2.78Å; E133-R138 VanDerWaalsContact C-NH1 3.27Å; E133-R138 PolarHBondContact O-NH1 3.4Å; D134-R138 PolarHBondContact O-N 3.15Å; D134-R138 VanDerWaalsContact O-N 3.08Å; R138-T140 PolarHBondContact O-N 3.13Å; R138-A141 WeakPolarHBondContact O-CB 3.48Å; R138-A141 PolarHBondContact O-N 2.82Å; R138-A142 PolarHBondContact O-N 2.88Å; R138-D171 IonicContact CZ-OD1 3.16Å; R138-D171 IonicContact CZ-OD2 3.01Å; R138-D171 VanDerWaalsContact CZ-OD2 3.25Å; R138-D171 IonicContact NE-OD2 3.26Å; R138-D171 PolarHBondContact NE-OD2 3.47Å; R138-D171 VanDerWaalsContact NH2-CG 3.34Å; R138-D171 IonicContact NH2-OD1 2.74Å; R138-D171 PolarHBondContact NH2-OD1 2.58Å; R138-D171 IonicContact NH2-OD2 3.28Å; R138-D171 PolarHBondContact NH2-OD2 2.82Å; R138-V176 HydrophobicContact CB-CG1 4Å; R138-V176 HydrophobicContact CB-CG2 3.99Å |
| 139 | K | 89.9 | Confident | 89.8 | Confident | 34 Ų | 34 | 36.2 Ų | 36.2 | 15% | 0.148 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -31.2 | 176.5 | 81.6 | -173.3 | -175.8 | -173 | 0 | 112.5 | P135 V137 V143 M175 V176 N179 | P135-K139 WeakPolarHBondContact O-CB 3.32Å; P135-K139 WeakPolarHBondContact O-CG 3.48Å; P135-K139 PolarHBondContact O-N 3.08Å; P135-K139 VanDerWaalsContact O-N 3.08Å; V137-K139 PolarHBondContact O-N 3.2Å; K139-V143 PolarHBondContact O-N 3.17Å; K139-M175 HydrophobicContact CD-CB 4.21Å; K139-V176 HydrophobicContact CB-CG2 4.25Å; K139-N179 HydrophobicContact CB-CB 4.04Å |
| 140 | T | 90.9 | Very high | 89.6 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 9% | 0.092 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -75.9 | -35.3 | 179.2 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | A104 R108 Y136 V137 R138 C144 | A104-T140 HydrophobicContact CB-CG2 4.09Å; A104-T140 WeakPolarHBondContact O-CG2 3.39Å; R108-T140 HydrophobicContact CB-CG2 3.69Å; R108-T140 HydrophobicContact CG-CG2 4.2Å; Y136-T140 VanDerWaalsContact O-CB 3.31Å; Y136-T140 WeakPolarHBondContact O-CB 3.39Å; Y136-T140 PolarHBondContact O-N 3.05Å; Y136-T140 PolarHBondContact O-OG1 3.09Å; V137-T140 WeakPolarHBondContact O-CA 3.47Å; V137-T140 WeakPolarHBondContact O-CB 3.48Å; V137-T140 PolarHBondContact O-N 3.02Å; R138-T140 PolarHBondContact O-N 3.13Å; T140-C144 WeakPolarHBondContact O-CB 3.26Å; T140-C144 PolarHBondContact O-N 3.19Å |
| 141 | A | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L126 C129 L130 V137 R138 V143 C144 V145 | L126-A141 HydrophobicContact CD1-CB 3.85Å; C129-A141 HydrophobicContact CB-CB 4.07Å; L130-A141 HydrophobicContact CD2-CB 3.66Å; L130-A141 HydrophobicContact CG-CB 3.89Å; V137-A141 PolarHBondContact O-N 3.19Å; R138-A141 WeakPolarHBondContact O-CB 3.48Å; R138-A141 PolarHBondContact O-N 2.82Å; A141-V143 PolarHBondContact O-N 2.76Å; A141-C144 CarbonylContact O-C 3.54Å; A141-C144 WeakPolarHBondContact O-CA 3.44Å; A141-C144 VanDerWaalsContact O-CB 3.23Å; A141-C144 WeakPolarHBondContact O-CB 3.35Å; A141-C144 PolarHBondContact O-N 2.64Å; A141-V145 PolarHBondContact O-N 3.39Å |
| 142 | A | 91.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.6 | -48 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R138 C144 V145 A146 L165 | R138-A142 PolarHBondContact O-N 2.88Å; A142-C144 PolarHBondContact O-N 3.38Å; A142-V145 PolarHBondContact O-N 2.8Å; A142-V145 VanDerWaalsContact O-N 3.16Å; A142-A146 PolarHBondContact O-N 3.34Å; A142-L165 HydrophobicContact CB-CD1 3.68Å |
| 143 | V | 90.3 | Very high | 88.5 | Confident | 48 Ų | 48 | 37.4 Ų | 37.4 | 29% | 0.291 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.9 | -25.2 | 174 | 176.2 | 0 | 0 | 0 | 0 | 112.4 | K139 A141 K147 N179 | K139-V143 PolarHBondContact O-N 3.17Å; A141-V143 PolarHBondContact O-N 2.76Å; V143-K147 WeakPolarHBondContact O-CG 3.42Å; V143-K147 PolarHBondContact O-N 3.25Å; V143-N179 HydrophobicContact CG2-CB 4.11Å |
| 144 | C | 89.4 | Confident | 88.3 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.1 | -33.4 | 174.1 | -160.9 | 0 | 0 | 0 | 0 | 112.1 | V107 L126 T140 A141 A142 K147 L148 | V107-C144 HydrophobicContact CG1-CB 3.75Å; V107-C144 PolarHBondContact O-SG 2.66Å; L126-C144 HydrophobicContact CD1-CB 3.79Å; T140-C144 WeakPolarHBondContact O-CB 3.26Å; T140-C144 PolarHBondContact O-N 3.19Å; A141-C144 CarbonylContact O-C 3.54Å; A141-C144 WeakPolarHBondContact O-CA 3.44Å; A141-C144 VanDerWaalsContact O-CB 3.23Å; A141-C144 WeakPolarHBondContact O-CB 3.35Å; A141-C144 PolarHBondContact O-N 2.64Å; A142-C144 PolarHBondContact O-N 3.38Å; C144-K147 PolarHBondContact O-N 3.42Å; C144-L148 VanDerWaalsContact O-CB 3.3Å; C144-L148 WeakPolarHBondContact O-CB 3.48Å; C144-L148 PolarHBondContact O-N 2.94Å |
| 145 | V | 89.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 175 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | L126 L130 A141 A142 L148 H149 V156 F161 L165 I187 | L126-V145 HydrophobicContact CD1-CG2 4.39Å; L126-V145 HydrophobicContact CD2-CG2 4.01Å; L126-V145 HydrophobicContact CG-CG2 4.39Å; L130-V145 HydrophobicContact CD1-CG2 4.06Å; L130-V145 HydrophobicContact CD2-CG2 4.11Å; A141-V145 PolarHBondContact O-N 3.39Å; A142-V145 PolarHBondContact O-N 2.8Å; A142-V145 VanDerWaalsContact O-N 3.16Å; V145-L148 WeakPolarHBondContact O-CB 3.38Å; V145-L148 PolarHBondContact O-N 3.42Å; V145-H149 WeakPolarHBondContact O-CB 3.48Å; V145-H149 PolarHBondContact O-N 2.89Å; V145-V156 HydrophobicContact CG1-CG1 3.92Å; V145-F161 HydrophobicContact CG1-CB 4.15Å; V145-F161 HydrophobicContact CG2-CB 4.45Å; V145-L165 HydrophobicContact CB-CD2 4.42Å; V145-L165 HydrophobicContact CG1-CD2 4.02Å; V145-I187 HydrophobicContact CG1-CD1 4.45Å |
| 146 | A | 88.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.4 | -47.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A142 L148 H149 D150 A183 | A142-A146 PolarHBondContact O-N 3.34Å; A146-L148 VanDerWaalsContact C-N 3.28Å; A146-L148 PolarHBondContact O-N 2.91Å; A146-H149 WeakPolarHBondContact O-CB 3.16Å; A146-H149 PolarHBondContact O-N 3.48Å; A146-H149 VanDerWaalsContact O-N 3.13Å; A146-D150 PolarHBondContact O-N 3.31Å; A146-A183 HydrophobicContact CB-CB 3.93Å |
| 147 | K | 87.3 | Confident | 87 | Confident | 68 Ų | 68 | 32 Ų | 32 | 30% | 0.296 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.3 | -28.1 | 176.9 | -66.5 | -179.7 | 178.5 | -170.7 | 0 | 114.3 | G111 C112 V143 C144 I151 | G111-K147 WeakPolarHBondContact O-CB 3.3Å; G111-K147 WeakPolarHBondContact O-CD 3.37Å; C112-K147 PolarHBondContact SG-NZ 3.37Å; V143-K147 WeakPolarHBondContact O-CG 3.42Å; V143-K147 PolarHBondContact O-N 3.25Å; C144-K147 PolarHBondContact O-N 3.42Å; K147-I151 WeakPolarHBondContact O-CD1 3.48Å; K147-I151 VanDerWaalsContact O-CG1 3.31Å; K147-I151 WeakPolarHBondContact O-CG1 3.3Å |
| 148 | L | 86.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.4 | -40.7 | 173.8 | -177.5 | 59.4 | 0 | 0 | 0 | 110.2 | T119 L122 L126 C144 V145 A146 I151 N152 L155 V156 F161 | T119-L148 HydrophobicContact CG2-CD1 3.34Å; L122-L148 HydrophobicContact CD2-CD1 4.3Å; L126-L148 HydrophobicContact CD2-CD2 3.6Å; C144-L148 VanDerWaalsContact O-CB 3.3Å; C144-L148 WeakPolarHBondContact O-CB 3.48Å; C144-L148 PolarHBondContact O-N 2.94Å; V145-L148 WeakPolarHBondContact O-CB 3.38Å; V145-L148 PolarHBondContact O-N 3.42Å; A146-L148 VanDerWaalsContact C-N 3.28Å; A146-L148 PolarHBondContact O-N 2.91Å; L148-I151 PolarHBondContact O-N 2.88Å; L148-I151 VanDerWaalsContact O-N 3.14Å; L148-N152 PolarHBondContact O-N 3.36Å; L148-L155 HydrophobicContact CD1-CD2 4Å; L148-L155 HydrophobicContact CD2-CD2 4.03Å; L148-L155 HydrophobicContact CG-CD2 4.12Å; L148-V156 HydrophobicContact CB-CG2 4.08Å; L148-V156 HydrophobicContact CD2-CG2 3.92Å; L148-V156 HydrophobicContact CG-CG2 3.59Å; L148-F161 HydrophobicContact CD2-CD2 4.27Å; L148-F161 HydrophobicContact CD2-CE2 4.14Å |
| 149 | H | 85.2 | Confident | 85.9 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 175.2 | 175 | -87.5 | 0 | 0 | 0 | 112.3 | V145 A146 I151 N152 A153 V156 I187 S190 H191 | V145-H149 WeakPolarHBondContact O-CB 3.48Å; V145-H149 PolarHBondContact O-N 2.89Å; A146-H149 WeakPolarHBondContact O-CB 3.16Å; A146-H149 PolarHBondContact O-N 3.48Å; A146-H149 VanDerWaalsContact O-N 3.13Å; H149-I151 PolarHBondContact O-N 2.97Å; H149-I151 VanDerWaalsContact O-N 3.13Å; H149-N152 PolarHBondContact O-N 3.22Å; H149-A153 VanDerWaalsContact CD2-CB 3.44Å; H149-A153 WeakPolarHBondContact CD2-CB 3.45Å; H149-A153 PolarHBondContact O-N 2.68Å; H149-A153 VanDerWaalsContact O-N 3.13Å; H149-V156 HydrophobicContact CB-CG2 4.13Å; H149-I187 HydrophobicContact CB-CG1 4.26Å; H149-S190 PolarHBondContact CE1-OG 3.44Å; H149-S190 VanDerWaalsContact CE1-OG 3.27Å; H149-H191 AromaticContact CE1-CE1 3.58Å; H149-H191 AromaticContact CE1-ND1 3.17Å; H149-H191 PolarHBondContact CE1-ND1 3.45Å; H149-H191 AromaticContact NE2-CE1 3.42Å; H149-H191 PolarHBondContact NE2-CE1 3.16Å; H149-H191 AromaticContact NE2-ND1 2.92Å; H149-H191 PolarHBondContact NE2-ND1 2.84Å |
| 150 | D | 84.4 | Confident | 85.6 | Confident | 80 Ų | 80 | 38.5 Ų | 38.5 | 43% | 0.428 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.8 | -25.5 | 170.8 | -75.3 | -3.6 | 0 | 0 | 0 | 114.4 | A146 | A146-D150 PolarHBondContact O-N 3.31Å |
| 151 | I | 83.3 | Confident | 85.4 | Confident | 45 Ų | 45 | 37.8 Ų | 37.8 | 23% | 0.231 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -96.2 | -46.3 | -176.9 | -64.6 | 166.1 | 0 | 0 | 0 | 110.2 | R114 T119 K147 L148 H149 | R114-I151 HydrophobicContact CG-CD1 3.89Å; R114-I151 HydrophobicContact CG-CG1 4Å; T119-I151 HydrophobicContact CG2-CG2 4.44Å; K147-I151 WeakPolarHBondContact O-CD1 3.48Å; K147-I151 VanDerWaalsContact O-CG1 3.31Å; K147-I151 WeakPolarHBondContact O-CG1 3.3Å; L148-I151 PolarHBondContact O-N 2.88Å; L148-I151 VanDerWaalsContact O-N 3.14Å; H149-I151 PolarHBondContact O-N 2.97Å; H149-I151 VanDerWaalsContact O-N 3.13Å |
| 152 | N | 82.8 | Confident | 85 | Confident | 65 Ų | 65 | 38.4 Ų | 38.4 | 35% | 0.348 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -156.1 | 91.2 | 178.7 | -177 | -13.5 | 0 | 0 | 0 | 110.2 | L148 H149 Q154 L155 | L148-N152 PolarHBondContact O-N 3.36Å; H149-N152 PolarHBondContact O-N 3.22Å; N152-Q154 PolarHBondContact O-N 3.19Å; N152-Q154 PolarHBondContact OD1-N 2.9Å; N152-L155 HydrophobicContact CB-CB 4.21Å; N152-L155 PolarHBondContact O-N 3.06Å; N152-L155 PolarHBondContact OD1-N 3.2Å; N152-L155 VanDerWaalsContact OD1-N 3.1Å |
| 153 | A | 82.8 | Confident | 84.7 | Confident | 18 Ų | 18 | 43.6 Ų | 43.6 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61 | -39.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H149 L155 V156 E157 | H149-A153 VanDerWaalsContact CD2-CB 3.44Å; H149-A153 WeakPolarHBondContact CD2-CB 3.45Å; H149-A153 PolarHBondContact O-N 2.68Å; H149-A153 VanDerWaalsContact O-N 3.13Å; A153-L155 VanDerWaalsContact C-N 3.3Å; A153-L155 PolarHBondContact O-N 2.95Å; A153-V156 WeakPolarHBondContact O-CA 3.45Å; A153-V156 WeakPolarHBondContact O-CB 3.44Å; A153-V156 PolarHBondContact O-N 3.42Å; A153-E157 PolarHBondContact O-N 3.14Å; A153-E157 VanDerWaalsContact O-N 3.07Å |
| 154 | Q | 82.6 | Confident | 84.5 | Confident | 133 Ų | 133 | 42.5 Ų | 42.5 | 62% | 0.621 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -60.1 | -40.9 | -178.3 | -173.3 | 174.7 | 3.8 | 0 | 0 | 111.7 | N152 V156 E157 D158 | N152-Q154 PolarHBondContact O-N 3.19Å; N152-Q154 PolarHBondContact OD1-N 2.9Å; Q154-V156 PolarHBondContact O-N 3.1Å; Q154-E157 PolarHBondContact O-N 3Å; Q154-D158 WeakPolarHBondContact O-CB 3.31Å; Q154-D158 PolarHBondContact O-N 3.32Å |
| 155 | L | 82.5 | Confident | 84.4 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.7 | -24.3 | 174.5 | 173.2 | 151.3 | 0 | 0 | 0 | 113.2 | T119 L148 N152 A153 Q159 | T119-L155 HydrophobicContact CG2-CD1 4.18Å; T119-L155 HydrophobicContact CG2-CD2 4.26Å; L148-L155 HydrophobicContact CD1-CD2 4Å; L148-L155 HydrophobicContact CD2-CD2 4.03Å; L148-L155 HydrophobicContact CG-CD2 4.12Å; N152-L155 HydrophobicContact CB-CB 4.21Å; N152-L155 PolarHBondContact O-N 3.06Å; N152-L155 PolarHBondContact OD1-N 3.2Å; N152-L155 VanDerWaalsContact OD1-N 3.1Å; A153-L155 VanDerWaalsContact C-N 3.3Å; A153-L155 PolarHBondContact O-N 2.95Å; L155-Q159 WeakPolarHBondContact O-CB 3.35Å; L155-Q159 WeakPolarHBondContact O-CG 3.33Å |
| 156 | V | 82.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -79.2 | -37.6 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | V145 L148 H149 A153 Q154 F161 L162 | V145-V156 HydrophobicContact CG1-CG1 3.92Å; L148-V156 HydrophobicContact CB-CG2 4.08Å; L148-V156 HydrophobicContact CD2-CG2 3.92Å; L148-V156 HydrophobicContact CG-CG2 3.59Å; H149-V156 HydrophobicContact CB-CG2 4.13Å; A153-V156 WeakPolarHBondContact O-CA 3.45Å; A153-V156 WeakPolarHBondContact O-CB 3.44Å; A153-V156 PolarHBondContact O-N 3.42Å; Q154-V156 PolarHBondContact O-N 3.1Å; V156-F161 HydrophobicContact CG1-CB 3.78Å; V156-F161 HydrophobicContact CG1-CD2 4.47Å; V156-F161 PolarHBondContact O-N 2.9Å; V156-L162 HydrophobicContact CG1-CD2 3.76Å; V156-L162 HydrophobicContact CG1-CG 4.02Å |
| 157 | E | 81.3 | Confident | 84.1 | Confident | 104 Ų | 104 | 51.6 Ų | 51.6 | 49% | 0.486 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67 | -55.3 | 173.2 | -67.3 | -178 | 163.3 | 0 | 0 | 111.6 | A153 Q154 Q159 G160 L162 | A153-E157 PolarHBondContact O-N 3.14Å; A153-E157 VanDerWaalsContact O-N 3.07Å; Q154-E157 PolarHBondContact O-N 3Å; E157-Q159 PolarHBondContact O-N 3.4Å; E157-G160 PolarHBondContact O-N 3.44Å; E157-L162 HydrophobicContact CG-CD1 3.78Å |
| 158 | D | 81.9 | Confident | 84 | Confident | 127 Ų | 127 | 49.1 Ų | 49.1 | 68% | 0.679 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -22.8 | -179.5 | -77.5 | -26.6 | 0 | 0 | 0 | 113.3 | Q154 | Q154-D158 WeakPolarHBondContact O-CB 3.31Å; Q154-D158 PolarHBondContact O-N 3.32Å |
| 159 | Q | 80.6 | Confident | 83.9 | Confident | 52 Ų | 52 | 49.6 Ų | 49.6 | 24% | 0.243 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -3.9 | -175.8 | -76.1 | -160 | 52.6 | 0 | 0 | 115.7 | C123 R127 L155 E157 F161 | C123-Q159 PolarHBondContact SG-NE2 3.31Å; R127-Q159 PolarHBondContact NH1-O 3.36Å; R127-Q159 PolarHBondContact NH2-O 2.55Å; R127-Q159 VanDerWaalsContact NH2-OE1 3.12Å; L155-Q159 WeakPolarHBondContact O-CB 3.35Å; L155-Q159 WeakPolarHBondContact O-CG 3.33Å; E157-Q159 PolarHBondContact O-N 3.4Å; Q159-F161 VanDerWaalsContact C-N 3.3Å; Q159-F161 HydrophobicContact CB-CD2 3.73Å; Q159-F161 HydrophobicContact CB-CE2 3.72Å; Q159-F161 HydrophobicContact CB-CG 4.5Å; Q159-F161 HydrophobicContact CB-CZ 4.47Å; Q159-F161 HydrophobicContact CG-CE2 4.35Å; Q159-F161 PolarHBondContact O-N 2.81Å |
| 160 | G | 83.6 | Confident | 83.9 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 27.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E157 L162 T164 | E157-G160 PolarHBondContact O-N 3.44Å; G160-L162 VanDerWaalsContact C-N 3.3Å; G160-T164 PolarHBondContact O-N 3.16Å; G160-T164 PolarHBondContact O-OG1 2.84Å |
| 161 | F | 85.4 | Confident | 84 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.6 | -29.5 | 175.5 | -75.2 | -54.7 | 0 | 0 | 0 | 112 | C123 L126 R127 L130 V145 L148 V156 Q159 T164 L165 | C123-F161 HydrophobicContact CB-CZ 4.41Å; C123-F161 WeakPolarHBondContact O-CZ 3.09Å; L126-F161 HydrophobicContact CB-CZ 4.45Å; L126-F161 HydrophobicContact CD2-CE1 4.35Å; L126-F161 HydrophobicContact CD2-CE2 4.48Å; L126-F161 HydrophobicContact CD2-CZ 4.26Å; L126-F161 HydrophobicContact CG-CE1 4.23Å; L126-F161 HydrophobicContact CG-CZ 4.45Å; R127-F161 HydrophobicContact CB-CE1 3.97Å; R127-F161 HydrophobicContact CB-CZ 4.44Å; L130-F161 HydrophobicContact CD1-CD1 3.6Å; L130-F161 HydrophobicContact CD1-CE1 3.99Å; V145-F161 HydrophobicContact CG1-CB 4.15Å; V145-F161 HydrophobicContact CG2-CB 4.45Å; L148-F161 HydrophobicContact CD2-CD2 4.27Å; L148-F161 HydrophobicContact CD2-CE2 4.14Å; V156-F161 HydrophobicContact CG1-CB 3.78Å; V156-F161 HydrophobicContact CG1-CD2 4.47Å; V156-F161 PolarHBondContact O-N 2.9Å; Q159-F161 VanDerWaalsContact C-N 3.3Å; Q159-F161 HydrophobicContact CB-CD2 3.73Å; Q159-F161 HydrophobicContact CB-CE2 3.72Å; Q159-F161 HydrophobicContact CB-CG 4.5Å; Q159-F161 HydrophobicContact CB-CZ 4.47Å; Q159-F161 HydrophobicContact CG-CE2 4.35Å; Q159-F161 PolarHBondContact O-N 2.81Å; F161-T164 PolarHBondContact O-N 2.85Å; F161-L165 WeakPolarHBondContact O-CB 3.41Å; F161-L165 PolarHBondContact O-N 3Å |
| 162 | L | 83.1 | Confident | 84.2 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 177.7 | -59.3 | -180 | 0 | 0 | 0 | 112 | V156 E157 G160 L165 K166 I187 L196 | V156-L162 HydrophobicContact CG1-CD2 3.76Å; V156-L162 HydrophobicContact CG1-CG 4.02Å; E157-L162 HydrophobicContact CG-CD1 3.78Å; G160-L162 VanDerWaalsContact C-N 3.3Å; L162-L165 PolarHBondContact O-N 2.82Å; L162-K166 WeakPolarHBondContact O-CB 3.41Å; L162-K166 PolarHBondContact O-N 2.9Å; L162-I187 HydrophobicContact CD2-CD1 4.02Å; L162-I187 HydrophobicContact CD2-CG2 4.29Å; L162-L196 HydrophobicContact CB-CD2 4.02Å; L162-L196 HydrophobicContact CD1-CD1 4.02Å; L162-L196 HydrophobicContact CD1-CD2 3.82Å; L162-L196 HydrophobicContact CG-CD2 4.42Å |
| 163 | D | 85.1 | Confident | 84.5 | Confident | 109 Ų | 109 | 52.2 Ų | 52.2 | 58% | 0.583 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 173.8 | -57.1 | -64.7 | 0 | 0 | 0 | 111.3 | L165 K166 D167 | D163-L165 PolarHBondContact O-N 2.89Å; D163-K166 WeakPolarHBondContact O-CB 3.43Å; D163-K166 PolarHBondContact O-N 3.19Å; D163-K166 VanDerWaalsContact O-N 3.08Å; D163-D167 PolarHBondContact O-N 2.86Å |
| 164 | T | 86.8 | Confident | 84.6 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -36.3 | 176.2 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | L130 G160 F161 L168 | L130-T164 HydrophobicContact CB-CG2 4.03Å; L130-T164 HydrophobicContact CD1-CG2 3.93Å; L130-T164 HydrophobicContact CG-CG2 4.48Å; G160-T164 PolarHBondContact O-N 3.16Å; G160-T164 PolarHBondContact O-OG1 2.84Å; F161-T164 PolarHBondContact O-N 2.85Å; T164-L168 WeakPolarHBondContact O-CG 3.37Å; T164-L168 PolarHBondContact O-N 3.04Å |
| 165 | L | 86.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.1 | -32.8 | 176.2 | -170.5 | 63.4 | 0 | 0 | 0 | 112.4 | A142 V145 F161 L162 D163 L168 A180 A183 L184 I187 | A142-L165 HydrophobicContact CB-CD1 3.68Å; V145-L165 HydrophobicContact CB-CD2 4.42Å; V145-L165 HydrophobicContact CG1-CD2 4.02Å; F161-L165 WeakPolarHBondContact O-CB 3.41Å; F161-L165 PolarHBondContact O-N 3Å; L162-L165 PolarHBondContact O-N 2.82Å; D163-L165 PolarHBondContact O-N 2.89Å; L165-L168 HydrophobicContact CD1-CD1 4.46Å; L165-L168 PolarHBondContact O-N 2.89Å; L165-A180 HydrophobicContact CD1-CB 3.9Å; L165-A183 HydrophobicContact CD1-CB 4.44Å; L165-A183 HydrophobicContact CD2-CB 3.96Å; L165-L184 HydrophobicContact CB-CD2 4.38Å; L165-L184 HydrophobicContact CD2-CD2 3.69Å; L165-L184 HydrophobicContact CD2-CG 3.74Å; L165-L184 HydrophobicContact CG-CD1 4.26Å; L165-L184 HydrophobicContact CG-CD2 3.95Å; L165-L184 HydrophobicContact CG-CG 3.82Å; L165-I187 HydrophobicContact CD2-CD1 3.93Å |
| 166 | K | 85.2 | Confident | 85 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.3 | -37 | 173.6 | -165.6 | 164.4 | -178.2 | 161.4 | 0 | 111.7 | L162 D163 I169 L196 D198 | L162-K166 WeakPolarHBondContact O-CB 3.41Å; L162-K166 PolarHBondContact O-N 2.9Å; D163-K166 WeakPolarHBondContact O-CB 3.43Å; D163-K166 PolarHBondContact O-N 3.19Å; D163-K166 VanDerWaalsContact O-N 3.08Å; K166-I169 HydrophobicContact CG-CD1 4.24Å; K166-I169 WeakPolarHBondContact O-CB 3.35Å; K166-I169 WeakPolarHBondContact O-CD1 3.36Å; K166-I169 VanDerWaalsContact O-CG1 3.27Å; K166-I169 WeakPolarHBondContact O-CG1 3.47Å; K166-I169 PolarHBondContact O-N 2.8Å; K166-L196 WeakPolarHBondContact CE-O 3.11Å; K166-L196 PolarHBondContact NZ-O 3.09Å; K166-D198 IonicContact NZ-OD2 2.64Å |
| 167 | D | 86.5 | Confident | 85.3 | Confident | 123 Ų | 123 | 48.9 Ų | 48.9 | 66% | 0.658 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.3 | -39.1 | 170.6 | -80 | -20.3 | 0 | 0 | 0 | 112.1 | D163 I169 S170 | D163-D167 PolarHBondContact O-N 2.86Å; D167-I169 PolarHBondContact O-N 2.69Å; D167-I169 VanDerWaalsContact O-N 3.14Å; D167-S170 WeakPolarHBondContact O-CA 3.33Å; D167-S170 WeakPolarHBondContact O-CB 3.49Å; D167-S170 PolarHBondContact O-N 2.87Å |
| 168 | L | 86.3 | Confident | 85.7 | Confident | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -65.5 | -11.9 | 178 | -71.6 | 177.6 | 0 | 0 | 0 | 114.5 | L130 T164 L165 S170 D171 V176 A180 | L130-L168 HydrophobicContact CD2-CD1 3.68Å; T164-L168 WeakPolarHBondContact O-CG 3.37Å; T164-L168 PolarHBondContact O-N 3.04Å; L165-L168 HydrophobicContact CD1-CD1 4.46Å; L165-L168 PolarHBondContact O-N 2.89Å; L168-S170 PolarHBondContact O-N 2.84Å; L168-D171 WeakPolarHBondContact O-CB 3.17Å; L168-D171 PolarHBondContact O-N 2.82Å; L168-V176 HydrophobicContact CB-CG1 4.35Å; L168-V176 HydrophobicContact CD1-CG1 4.48Å; L168-V176 HydrophobicContact CD2-CG1 4.02Å; L168-A180 HydrophobicContact CB-CB 4.01Å |
| 169 | I | 84.4 | Confident | 86.1 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -66 | -20.8 | 167.1 | -44.3 | 169.3 | 0 | 0 | 0 | 111 | K166 D167 V177 V181 L184 T203 L207 | K166-I169 HydrophobicContact CG-CD1 4.24Å; K166-I169 WeakPolarHBondContact O-CB 3.35Å; K166-I169 WeakPolarHBondContact O-CD1 3.36Å; K166-I169 VanDerWaalsContact O-CG1 3.27Å; K166-I169 WeakPolarHBondContact O-CG1 3.47Å; K166-I169 PolarHBondContact O-N 2.8Å; D167-I169 PolarHBondContact O-N 2.69Å; D167-I169 VanDerWaalsContact O-N 3.14Å; I169-V177 HydrophobicContact CG2-CG1 4.36Å; I169-V181 HydrophobicContact CG2-CG2 4.23Å; I169-L184 HydrophobicContact CD1-CD1 3.49Å; I169-L184 VanDerWaalsContact CD1-CD1 3.49Å; I169-L184 HydrophobicContact CG1-CD1 3.69Å; I169-T203 HydrophobicContact CB-CG2 4.48Å; I169-T203 HydrophobicContact CG2-CG2 3.63Å; I169-L207 HydrophobicContact CG2-CD2 3.82Å; I169-L207 HydrophobicContact CG2-CG 4.44Å |
| 170 | S | 84.9 | Confident | 86.5 | Confident | 63 Ų | 63 | 37.5 Ų | 37.5 | 44% | 0.441 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -100.2 | 14.2 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 114 | D167 L168 K206 | D167-S170 WeakPolarHBondContact O-CA 3.33Å; D167-S170 WeakPolarHBondContact O-CB 3.49Å; D167-S170 PolarHBondContact O-N 2.87Å; L168-S170 PolarHBondContact O-N 2.84Å; S170-K206 PolarHBondContact OG-NZ 3.19Å |
| 171 | D | 86.6 | Confident | 86.7 | Confident | 28 Ų | 28 | 36.7 Ų | 36.7 | 15% | 0.15 | 21% | 0.208 | C | C | . | . | trans | -61 | 149.7 | 175 | -163.4 | -68.5 | 0 | 0 | 0 | 111.6 | R138 L168 N173 V176 V177 | R138-D171 IonicContact CZ-OD1 3.16Å; R138-D171 IonicContact CZ-OD2 3.01Å; R138-D171 VanDerWaalsContact CZ-OD2 3.25Å; R138-D171 IonicContact NE-OD2 3.26Å; R138-D171 PolarHBondContact NE-OD2 3.47Å; R138-D171 VanDerWaalsContact NH2-CG 3.34Å; R138-D171 IonicContact NH2-OD1 2.74Å; R138-D171 PolarHBondContact NH2-OD1 2.58Å; R138-D171 IonicContact NH2-OD2 3.28Å; R138-D171 PolarHBondContact NH2-OD2 2.82Å; L168-D171 WeakPolarHBondContact O-CB 3.17Å; L168-D171 PolarHBondContact O-N 2.82Å; D171-N173 PolarHBondContact O-N 3.11Å; D171-N173 WeakPolarHBondContact OD1-CB 2.98Å; D171-N173 PolarHBondContact OD1-N 2.62Å; D171-V176 HydrophobicContact CB-CB 4.02Å; D171-V176 HydrophobicContact CB-CG1 3.96Å; D171-V177 HydrophobicContact CB-CG2 4.02Å; D171-V177 WeakPolarHBondContact O-CG2 3.47Å | ||
| 172 | S | 86.2 | Confident | 86.8 | Confident | 119 Ų | 119 | 37.6 Ų | 37.6 | 83% | 0.832 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -74.2 | -13.5 | 177.6 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 173 | N | 89 | Confident | 87.1 | Confident | 43 Ų | 43 | 37.1 Ų | 37.1 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -103.5 | 117.1 | -179.7 | -169.2 | -77.9 | 0 | 0 | 0 | 112.2 | P135 D171 M175 V176 V177 | P135-N173 HydrophobicContact CB-CB 4Å; P135-N173 HydrophobicContact CG-CB 4.12Å; D171-N173 PolarHBondContact O-N 3.11Å; D171-N173 WeakPolarHBondContact OD1-CB 2.98Å; D171-N173 PolarHBondContact OD1-N 2.62Å; N173-M175 PolarHBondContact O-N 3.49Å; N173-M175 WeakPolarHBondContact OD1-CA 3.39Å; N173-M175 WeakPolarHBondContact OD1-CB 3.46Å; N173-M175 WeakPolarHBondContact OD1-CG 3.38Å; N173-M175 PolarHBondContact OD1-N 3.22Å; N173-V176 HydrophobicContact CB-CG2 4.04Å; N173-V176 PolarHBondContact O-N 2.53Å; N173-V177 PolarHBondContact O-N 2.91Å |
| 174 | P | 85.9 | Confident | 87.1 | Confident | 23 Ų | 23 | 32.1 Ų | 32.1 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.6 | -23.4 | -179.8 | -27.3 | 34.8 | 0 | 0 | 0 | 115.1 | A178 A210 E213 C214 | P174-A178 VanDerWaalsContact O-CB 3.25Å; P174-A178 WeakPolarHBondContact O-CB 3.16Å; P174-A178 PolarHBondContact O-N 2.72Å; P174-A210 HydrophobicContact CB-CB 4.29Å; P174-E213 HydrophobicContact CB-CB 4.37Å; P174-E213 HydrophobicContact CG-CB 3.87Å; P174-C214 PolarHBondContact O-SG 3.07Å; P174-C214 VanDerWaalsContact O-SG 3.36Å |
| 175 | M | 84.6 | Confident | 87 | Confident | 74 Ų | 74 | 31.8 Ų | 31.8 | 37% | 0.365 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -73.5 | -32.2 | 175 | -51.7 | -167.3 | 84.1 | 0 | 0 | 112.6 | K139 N173 N179 T215 | K139-M175 HydrophobicContact CD-CB 4.21Å; N173-M175 PolarHBondContact O-N 3.49Å; N173-M175 WeakPolarHBondContact OD1-CA 3.39Å; N173-M175 WeakPolarHBondContact OD1-CB 3.46Å; N173-M175 WeakPolarHBondContact OD1-CG 3.38Å; N173-M175 PolarHBondContact OD1-N 3.22Å; M175-N179 PolarHBondContact O-N 2.85Å; M175-N179 PolarHBondContact O-ND2 3.46Å; M175-T215 HydrophobicContact CE-CG2 4.16Å |
| 176 | V | 89.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.8 | -49.7 | 177.3 | -178 | 0 | 0 | 0 | 0 | 108.9 | P135 R138 K139 L168 D171 N173 A178 N179 A180 | P135-V176 HydrophobicContact CB-CG2 3.84Å; R138-V176 HydrophobicContact CB-CG1 4Å; R138-V176 HydrophobicContact CB-CG2 3.99Å; K139-V176 HydrophobicContact CB-CG2 4.25Å; L168-V176 HydrophobicContact CB-CG1 4.35Å; L168-V176 HydrophobicContact CD1-CG1 4.48Å; L168-V176 HydrophobicContact CD2-CG1 4.02Å; D171-V176 HydrophobicContact CB-CB 4.02Å; D171-V176 HydrophobicContact CB-CG1 3.96Å; N173-V176 HydrophobicContact CB-CG2 4.04Å; N173-V176 PolarHBondContact O-N 2.53Å; V176-A178 VanDerWaalsContact C-N 3.33Å; V176-A178 PolarHBondContact O-N 2.92Å; V176-N179 PolarHBondContact O-N 3.14Å; V176-N179 VanDerWaalsContact O-N 3.12Å; V176-A180 WeakPolarHBondContact O-CB 3.45Å; V176-A180 PolarHBondContact O-N 2.99Å |
| 177 | V | 88.8 | Confident | 86.7 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.03 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.1 | -49.3 | 175.2 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | I169 D171 N173 N179 A180 V181 L207 | I169-V177 HydrophobicContact CG2-CG1 4.36Å; D171-V177 HydrophobicContact CB-CG2 4.02Å; D171-V177 WeakPolarHBondContact O-CG2 3.47Å; N173-V177 PolarHBondContact O-N 2.91Å; V177-N179 VanDerWaalsContact C-N 3.35Å; V177-N179 PolarHBondContact O-N 2.63Å; V177-A180 PolarHBondContact O-N 2.9Å; V177-V181 HydrophobicContact CG1-CG2 4.41Å; V177-V181 WeakPolarHBondContact O-CB 3.16Å; V177-V181 VanDerWaalsContact O-CG2 3.31Å; V177-V181 WeakPolarHBondContact O-CG2 3.28Å; V177-V181 PolarHBondContact O-N 3.21Å; V177-L207 HydrophobicContact CG1-CD2 3.58Å |
| 178 | A | 88.1 | Confident | 86.3 | Confident | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.017 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60 | -38.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P174 V176 A182 | P174-A178 VanDerWaalsContact O-CB 3.25Å; P174-A178 WeakPolarHBondContact O-CB 3.16Å; P174-A178 PolarHBondContact O-N 2.72Å; V176-A178 VanDerWaalsContact C-N 3.33Å; V176-A178 PolarHBondContact O-N 2.92Å; A178-A182 PolarHBondContact O-N 2.93Å; A178-A182 VanDerWaalsContact O-N 3.11Å |
| 179 | N | 90.3 | Very high | 85.8 | Confident | 42 Ų | 42 | 34.6 Ų | 34.6 | 23% | 0.225 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -80.7 | -29.4 | 178.9 | -75.1 | -94.2 | 0 | 0 | 0 | 112.1 | K139 V143 M175 V176 V177 A183 | K139-N179 HydrophobicContact CB-CB 4.04Å; V143-N179 HydrophobicContact CG2-CB 4.11Å; M175-N179 PolarHBondContact O-N 2.85Å; M175-N179 PolarHBondContact O-ND2 3.46Å; V176-N179 PolarHBondContact O-N 3.14Å; V176-N179 VanDerWaalsContact O-N 3.12Å; V177-N179 VanDerWaalsContact C-N 3.35Å; V177-N179 PolarHBondContact O-N 2.63Å; N179-A183 WeakPolarHBondContact O-CB 3.46Å; N179-A183 PolarHBondContact O-N 2.99Å |
| 180 | A | 90 | Very high | 85.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L165 L168 V176 V177 A183 L184 | L165-A180 HydrophobicContact CD1-CB 3.9Å; L168-A180 HydrophobicContact CB-CB 4.01Å; V176-A180 WeakPolarHBondContact O-CB 3.45Å; V176-A180 PolarHBondContact O-N 2.99Å; V177-A180 PolarHBondContact O-N 2.9Å; A180-A183 PolarHBondContact O-N 3.48Å; A180-L184 WeakPolarHBondContact O-CB 3.35Å; A180-L184 VanDerWaalsContact O-CG 3.29Å; A180-L184 WeakPolarHBondContact O-CG 3.45Å; A180-L184 PolarHBondContact O-N 3.38Å |
| 181 | V | 87.4 | Confident | 84.2 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 174 | 169 | 0 | 0 | 0 | 0 | 112.1 | I169 V177 S185 L207 C225 | I169-V181 HydrophobicContact CG2-CG2 4.23Å; V177-V181 HydrophobicContact CG1-CG2 4.41Å; V177-V181 WeakPolarHBondContact O-CB 3.16Å; V177-V181 VanDerWaalsContact O-CG2 3.31Å; V177-V181 WeakPolarHBondContact O-CG2 3.28Å; V177-V181 PolarHBondContact O-N 3.21Å; V181-S185 WeakPolarHBondContact O-CB 3.49Å; V181-S185 PolarHBondContact O-N 3.33Å; V181-S185 PolarHBondContact O-OG 2.87Å; V181-L207 HydrophobicContact CG2-CD1 4.43Å; V181-L207 HydrophobicContact CG2-CD2 3.59Å; V181-C225 HydrophobicContact CG1-CB 3.5Å |
| 182 | A | 88.2 | Confident | 82.7 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.8 | -52.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A178 L184 S185 E186 F221 | A178-A182 PolarHBondContact O-N 2.93Å; A178-A182 VanDerWaalsContact O-N 3.11Å; A182-L184 PolarHBondContact O-N 3.47Å; A182-S185 WeakPolarHBondContact O-CB 3.37Å; A182-S185 PolarHBondContact O-N 2.98Å; A182-S185 VanDerWaalsContact O-N 3.08Å; A182-E186 PolarHBondContact O-N 2.78Å; A182-F221 HydrophobicContact CB-CB 4.22Å; A182-F221 HydrophobicContact CB-CD1 4.13Å; A182-F221 HydrophobicContact CB-CD2 3.7Å; A182-F221 HydrophobicContact CB-CE1 4.42Å; A182-F221 HydrophobicContact CB-CE2 4.01Å; A182-F221 HydrophobicContact CB-CG 3.77Å; A182-F221 HydrophobicContact CB-CZ 4.37Å |
| 183 | A | 88.3 | Confident | 80.9 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.6 | -43.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A146 L165 N179 A180 S185 E186 I187 | A146-A183 HydrophobicContact CB-CB 3.93Å; L165-A183 HydrophobicContact CD1-CB 4.44Å; L165-A183 HydrophobicContact CD2-CB 3.96Å; N179-A183 WeakPolarHBondContact O-CB 3.46Å; N179-A183 PolarHBondContact O-N 2.99Å; A180-A183 PolarHBondContact O-N 3.48Å; A183-S185 VanDerWaalsContact C-N 3.31Å; A183-S185 PolarHBondContact O-N 2.96Å; A183-E186 PolarHBondContact O-N 2.79Å; A183-I187 WeakPolarHBondContact O-CB 3.33Å; A183-I187 WeakPolarHBondContact O-CD1 3.44Å; A183-I187 WeakPolarHBondContact O-CG1 3.28Å; A183-I187 PolarHBondContact O-N 2.97Å |
| 184 | L | 85.9 | Confident | 79.1 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68 | -28.9 | 176.7 | -72.3 | 166.4 | 0 | 0 | 0 | 113.3 | L165 I169 A180 A182 A188 L197 | L165-L184 HydrophobicContact CB-CD2 4.38Å; L165-L184 HydrophobicContact CD2-CD2 3.69Å; L165-L184 HydrophobicContact CD2-CG 3.74Å; L165-L184 HydrophobicContact CG-CD1 4.26Å; L165-L184 HydrophobicContact CG-CD2 3.95Å; L165-L184 HydrophobicContact CG-CG 3.82Å; I169-L184 HydrophobicContact CD1-CD1 3.49Å; I169-L184 VanDerWaalsContact CD1-CD1 3.49Å; I169-L184 HydrophobicContact CG1-CD1 3.69Å; A180-L184 WeakPolarHBondContact O-CB 3.35Å; A180-L184 VanDerWaalsContact O-CG 3.29Å; A180-L184 WeakPolarHBondContact O-CG 3.45Å; A180-L184 PolarHBondContact O-N 3.38Å; A182-L184 PolarHBondContact O-N 3.47Å; L184-A188 VanDerWaalsContact O-CB 3.25Å; L184-A188 WeakPolarHBondContact O-CB 3.35Å; L184-A188 PolarHBondContact O-N 3.04Å; L184-L197 HydrophobicContact CB-CD2 3.87Å; L184-L197 HydrophobicContact CB-CG 4.45Å; L184-L197 HydrophobicContact CD1-CD2 4.42Å |
| 185 | S | 83.5 | Confident | 77.5 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73 | -43 | 175.7 | -55.6 | 0 | 0 | 0 | 0 | 111 | V181 A182 A183 A188 E189 | V181-S185 WeakPolarHBondContact O-CB 3.49Å; V181-S185 PolarHBondContact O-N 3.33Å; V181-S185 PolarHBondContact O-OG 2.87Å; A182-S185 WeakPolarHBondContact O-CB 3.37Å; A182-S185 PolarHBondContact O-N 2.98Å; A182-S185 VanDerWaalsContact O-N 3.08Å; A183-S185 VanDerWaalsContact C-N 3.31Å; A183-S185 PolarHBondContact O-N 2.96Å; S185-A188 PolarHBondContact O-N 2.73Å; S185-E189 PolarHBondContact O-N 3.42Å |
| 186 | E | 83.9 | Confident | 76.1 | Confident | 108 Ų | 108 | 43.3 Ų | 43.3 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.6 | -39 | 175.4 | -168.2 | 167.1 | -140.8 | 0 | 0 | 111.8 | A182 A183 S190 | A182-E186 PolarHBondContact O-N 2.78Å; A183-E186 PolarHBondContact O-N 2.79Å; E186-S190 PolarHBondContact O-N 3.22Å; E186-S190 PolarHBondContact O-OG 2.98Å |
| 187 | I | 82.8 | Confident | 74.6 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.8 | -41.4 | 172.2 | -69.5 | 165.6 | 0 | 0 | 0 | 111.7 | V145 H149 L162 L165 A183 E189 S190 H191 L196 | V145-I187 HydrophobicContact CG1-CD1 4.45Å; H149-I187 HydrophobicContact CB-CG1 4.26Å; L162-I187 HydrophobicContact CD2-CD1 4.02Å; L162-I187 HydrophobicContact CD2-CG2 4.29Å; L165-I187 HydrophobicContact CD2-CD1 3.93Å; A183-I187 WeakPolarHBondContact O-CB 3.33Å; A183-I187 WeakPolarHBondContact O-CD1 3.44Å; A183-I187 WeakPolarHBondContact O-CG1 3.28Å; A183-I187 PolarHBondContact O-N 2.97Å; I187-E189 VanDerWaalsContact C-N 3.35Å; I187-E189 PolarHBondContact O-N 2.94Å; I187-S190 WeakPolarHBondContact CA-OG 3.29Å; I187-S190 PolarHBondContact O-N 3.13Å; I187-S190 PolarHBondContact O-OG 3.41Å; I187-H191 PolarHBondContact O-N 2.71Å; I187-H191 VanDerWaalsContact O-N 3.12Å; I187-L196 HydrophobicContact CG2-CD1 3.58Å |
| 188 | A | 77.9 | Confident | 73.2 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 22% | 0.223 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.1 | -31.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L184 S185 S190 L197 | L184-A188 VanDerWaalsContact O-CB 3.25Å; L184-A188 WeakPolarHBondContact O-CB 3.35Å; L184-A188 PolarHBondContact O-N 3.04Å; S185-A188 PolarHBondContact O-N 2.73Å; A188-S190 VanDerWaalsContact C-N 3.34Å; A188-L197 HydrophobicContact CB-CD1 3.84Å; A188-L197 HydrophobicContact CB-CG 4.43Å |
| 189 | E | 74.1 | Confident | 72.1 | Confident | 132 Ų | 132 | 50.4 Ų | 50.4 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -76.9 | -19.5 | 175.3 | -69 | -169 | 159.7 | 0 | 0 | 113.2 | S185 I187 K591 | S185-E189 PolarHBondContact O-N 3.42Å; I187-E189 VanDerWaalsContact C-N 3.35Å; I187-E189 PolarHBondContact O-N 2.94Å; E189-K591 IonicContact OE1-NZ 3.66Å; E189-K591 PolarHBondContact OE1-NZ 3.31Å |
| 190 | S | 71.7 | Confident | 71.3 | Confident | 54 Ų | 54 | 52.7 Ų | 52.7 | 38% | 0.378 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -89.3 | -28.1 | 175.1 | 39.3 | 0 | 0 | 0 | 0 | 114 | H149 E186 I187 A188 | H149-S190 PolarHBondContact CE1-OG 3.44Å; H149-S190 VanDerWaalsContact CE1-OG 3.27Å; E186-S190 PolarHBondContact O-N 3.22Å; E186-S190 PolarHBondContact O-OG 2.98Å; I187-S190 WeakPolarHBondContact CA-OG 3.29Å; I187-S190 PolarHBondContact O-N 3.13Å; I187-S190 PolarHBondContact O-OG 3.41Å; A188-S190 VanDerWaalsContact C-N 3.34Å |
| 191 | H | 65.8 | Low | 70.6 | Confident | 79 Ų | 79 | 54.6 Ų | 54.6 | 37% | 0.366 | 30% | 0.301 | S | S | . | . | trans | -123.1 | 85.5 | 173.2 | -72.3 | 118.7 | 0 | 0 | 0 | 113 | H149 I187 N193 S194 | H149-H191 AromaticContact CE1-CE1 3.58Å; H149-H191 AromaticContact CE1-ND1 3.17Å; H149-H191 PolarHBondContact CE1-ND1 3.45Å; H149-H191 AromaticContact NE2-CE1 3.42Å; H149-H191 PolarHBondContact NE2-CE1 3.16Å; H149-H191 AromaticContact NE2-ND1 2.92Å; H149-H191 PolarHBondContact NE2-ND1 2.84Å; I187-H191 PolarHBondContact O-N 2.71Å; I187-H191 VanDerWaalsContact O-N 3.12Å; H191-N193 PolarHBondContact O-N 3.05Å; H191-S194 VanDerWaalsContact CB-OG 3.3Å; H191-S194 WeakPolarHBondContact CB-OG 3.14Å; H191-S194 PolarHBondContact O-N 2.77Å; H191-S194 VanDerWaalsContact O-N 3.17Å; H191-S194 PolarHBondContact O-OG 2.74Å | ||
| 192 | P | 54.5 | Low | 70.2 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 34% | 0.338 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -3.9 | -174.2 | 27.4 | -36 | 0 | 0 | 0 | 115.5 | Q589 | P192-Q589 HydrophobicContact CB-CG 4.35Å; P192-Q589 PolarHBondContact O-NE2 3.04Å |
| 193 | N | 47.9 | Very low | 69.9 | Low | 161 Ų | 161 | 62 Ų | 62 | 86% | 0.861 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -8.2 | 177.1 | -70.6 | -9.3 | 0 | 0 | 0 | 113.5 | H191 | H191-N193 PolarHBondContact O-N 3.05Š|
| 194 | S | 51.8 | Low | 69.7 | Low | 36 Ų | 36 | 62 Ų | 62 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | trans | -103 | 107.7 | -179.3 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | H191 L196 | H191-S194 VanDerWaalsContact CB-OG 3.3Å; H191-S194 WeakPolarHBondContact CB-OG 3.14Å; H191-S194 PolarHBondContact O-N 2.77Å; H191-S194 VanDerWaalsContact O-N 3.17Å; H191-S194 PolarHBondContact O-OG 2.74Å; S194-L196 PolarHBondContact O-N 3.21Å | ||
| 195 | N | 52.6 | Low | 69.6 | Low | 128 Ų | 128 | 66.1 Ų | 66.1 | 68% | 0.684 | 36% | 0.356 | S | S | * | . | trans | -72.1 | 54.3 | 176 | -71.1 | 4.1 | 0 | 0 | 0 | 112.5 | L197 | N195-L197 VanDerWaalsContact C-N 3.27Å; N195-L197 PolarHBondContact O-N 2.93Å | ||
| 196 | L | 53.8 | Low | 69.6 | Low | 34 Ų | 34 | 69.8 Ų | 69.8 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | trans | -62.9 | -37.7 | 180 | -75.2 | 161.2 | 0 | 0 | 0 | 111.5 | L162 K166 I187 S194 D198 | L162-L196 HydrophobicContact CB-CD2 4.02Å; L162-L196 HydrophobicContact CD1-CD1 4.02Å; L162-L196 HydrophobicContact CD1-CD2 3.82Å; L162-L196 HydrophobicContact CG-CD2 4.42Å; K166-L196 WeakPolarHBondContact CE-O 3.11Å; K166-L196 PolarHBondContact NZ-O 3.09Å; I187-L196 HydrophobicContact CG2-CD1 3.58Å; S194-L196 PolarHBondContact O-N 3.21Å; L196-D198 VanDerWaalsContact C-N 3.29Å; L196-D198 PolarHBondContact O-N 3.13Å; L196-D198 VanDerWaalsContact O-N 3.12Å | ||
| 197 | L | 59.2 | Low | 69.7 | Low | 41 Ų | 41 | 64.7 Ų | 64.7 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | trans | -83.9 | 55.5 | 176.4 | -71.7 | 174.3 | 0 | 0 | 0 | 113.3 | L184 A188 N195 L199 | L184-L197 HydrophobicContact CB-CD2 3.87Å; L184-L197 HydrophobicContact CB-CG 4.45Å; L184-L197 HydrophobicContact CD1-CD2 4.42Å; A188-L197 HydrophobicContact CB-CD1 3.84Å; A188-L197 HydrophobicContact CB-CG 4.43Å; N195-L197 VanDerWaalsContact C-N 3.27Å; N195-L197 PolarHBondContact O-N 2.93Å; L197-L199 HydrophobicContact CB-CG 4.37Å; L197-L199 HydrophobicContact CD2-CD2 4.29Å; L197-L199 PolarHBondContact O-N 3.35Å | ||
| 198 | D | 59.4 | Low | 69.8 | Low | 96 Ų | 96 | 65.1 Ų | 65.1 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | trans | -65.5 | 79.4 | 159.8 | -75.1 | -38.1 | 0 | 0 | 0 | 110.2 | K166 L196 N200 | K166-D198 IonicContact NZ-OD2 2.64Å; L196-D198 VanDerWaalsContact C-N 3.29Å; L196-D198 PolarHBondContact O-N 3.13Å; L196-D198 VanDerWaalsContact O-N 3.12Å; D198-N200 PolarHBondContact O-N 2.95Å | ||
| 199 | L | 65.8 | Low | 70.2 | Confident | 20 Ų | 20 | 68 Ų | 68 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | trans | -75.4 | 87.6 | -179.2 | -69.5 | 173.9 | 0 | 0 | 0 | 110.7 | L197 T203 I204 L207 Y229 | L197-L199 HydrophobicContact CB-CG 4.37Å; L197-L199 HydrophobicContact CD2-CD2 4.29Å; L197-L199 PolarHBondContact O-N 3.35Å; L199-T203 HydrophobicContact CD2-CG2 4.4Å; L199-I204 HydrophobicContact CB-CD1 4.17Å; L199-I204 HydrophobicContact CB-CG1 4.37Å; L199-L207 HydrophobicContact CD2-CD1 4.42Å; L199-Y229 HydrophobicContact CB-CD2 3.93Å; L199-Y229 HydrophobicContact CB-CE2 4.35Å; L199-Y229 HydrophobicContact CD1-CD2 4.4Å; L199-Y229 WeakPolarHBondContact O-CE2 3.42Å | ||
| 200 | N | 72.4 | Confident | 70.7 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 48% | 0.476 | 34% | 0.337 | S | S | . | . | trans | -63.3 | 145.6 | 170.2 | -77.5 | -38.3 | 0 | 0 | 0 | 111.3 | D198 Q202 T203 I204 | D198-N200 PolarHBondContact O-N 2.95Å; N200-Q202 PolarHBondContact O-N 3.34Å; N200-T203 WeakPolarHBondContact O-CA 3.5Å; N200-T203 VanDerWaalsContact O-CB 3.28Å; N200-T203 WeakPolarHBondContact O-CB 3.46Å; N200-T203 PolarHBondContact O-N 3.37Å; N200-I204 PolarHBondContact O-N 3.14Å; N200-I204 VanDerWaalsContact O-N 3.07Å | ||
| 201 | P | 76.3 | Confident | 71.4 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 26% | 0.26 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54.5 | -29.1 | 176.1 | -29.7 | 36 | 0 | 0 | 0 | 114.3 | I204 N205 | P201-I204 PolarHBondContact O-N 3.38Å; P201-N205 PolarHBondContact O-N 3.22Å; P201-N205 PolarHBondContact O-ND2 2.96Å |
| 202 | Q | 79.1 | Confident | 72.3 | Confident | 156 Ų | 156 | 59.9 Ų | 59.9 | 73% | 0.729 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.3 | -40.5 | 172.4 | -66.2 | -175.9 | -2.9 | 0 | 0 | 112.6 | N200 N205 K206 | N200-Q202 PolarHBondContact O-N 3.34Å; Q202-N205 PolarHBondContact O-N 3.32Å; Q202-K206 WeakPolarHBondContact O-CG 3.38Å; Q202-K206 PolarHBondContact O-N 2.89Å; Q202-K206 VanDerWaalsContact O-N 3.14Å |
| 203 | T | 81.8 | Confident | 73.7 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 14% | 0.141 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 174.1 | -50.9 | 0 | 0 | 0 | 0 | 110 | I169 L199 N200 N205 K206 L207 | I169-T203 HydrophobicContact CB-CG2 4.48Å; I169-T203 HydrophobicContact CG2-CG2 3.63Å; L199-T203 HydrophobicContact CD2-CG2 4.4Å; N200-T203 WeakPolarHBondContact O-CA 3.5Å; N200-T203 VanDerWaalsContact O-CB 3.28Å; N200-T203 WeakPolarHBondContact O-CB 3.46Å; N200-T203 PolarHBondContact O-N 3.37Å; T203-N205 VanDerWaalsContact C-N 3.35Å; T203-N205 PolarHBondContact O-N 2.98Å; T203-K206 WeakPolarHBondContact O-CB 3.35Å; T203-K206 PolarHBondContact O-N 3.18Å; T203-K206 VanDerWaalsContact O-N 3.11Å; T203-L207 WeakPolarHBondContact O-CG 3.48Å; T203-L207 PolarHBondContact O-N 2.83Å |
| 204 | I | 83.4 | Confident | 75.4 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 177.4 | -70.5 | 163.9 | 0 | 0 | 0 | 111.8 | L199 N200 P201 K206 L207 L208 L226 Y229 I240 | L199-I204 HydrophobicContact CB-CD1 4.17Å; L199-I204 HydrophobicContact CB-CG1 4.37Å; N200-I204 PolarHBondContact O-N 3.14Å; N200-I204 VanDerWaalsContact O-N 3.07Å; P201-I204 PolarHBondContact O-N 3.38Å; I204-K206 VanDerWaalsContact C-N 3.34Å; I204-K206 PolarHBondContact O-N 3.17Å; I204-L207 PolarHBondContact O-N 2.85Å; I204-L208 HydrophobicContact CG2-CD1 3.84Å; I204-L208 HydrophobicContact CG2-CG 4.3Å; I204-L208 WeakPolarHBondContact O-CB 3.38Å; I204-L208 VanDerWaalsContact O-CG 3.3Å; I204-L208 WeakPolarHBondContact O-CG 3.41Å; I204-L208 PolarHBondContact O-N 3.22Å; I204-L226 HydrophobicContact CG1-CD2 4.35Å; I204-L226 HydrophobicContact CG2-CD2 3.87Å; I204-Y229 HydrophobicContact CD1-CD1 3.45Å; I204-Y229 VanDerWaalsContact CD1-CD1 3.45Å; I204-Y229 HydrophobicContact CD1-CD2 3.59Å; I204-Y229 HydrophobicContact CD1-CE1 3.25Å; I204-Y229 HydrophobicContact CD1-CE2 3.42Å; I204-Y229 VanDerWaalsContact CD1-CE2 3.42Å; I204-Y229 HydrophobicContact CD1-CG 3.6Å; I204-I240 HydrophobicContact CG2-CG1 4.48Å |
| 205 | N | 84.3 | Confident | 77.1 | Confident | 90 Ų | 90 | 59 Ų | 59 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 174.1 | -84.1 | -89.4 | 0 | 0 | 0 | 112.2 | P201 Q202 T203 L208 T209 | P201-N205 PolarHBondContact O-N 3.22Å; P201-N205 PolarHBondContact O-ND2 2.96Å; Q202-N205 PolarHBondContact O-N 3.32Å; T203-N205 VanDerWaalsContact C-N 3.35Å; T203-N205 PolarHBondContact O-N 2.98Å; N205-L208 PolarHBondContact O-N 3.33Å; N205-T209 PolarHBondContact O-N 3.43Å; N205-T209 PolarHBondContact O-OG1 2.86Å |
| 206 | K | 83.7 | Confident | 78.9 | Confident | 97 Ų | 97 | 56.4 Ų | 56.4 | 42% | 0.422 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 171.1 | -66.9 | 169.7 | 176.8 | 172.6 | 0 | 111.8 | S170 Q202 T203 I204 L208 T209 A210 | S170-K206 PolarHBondContact OG-NZ 3.19Å; Q202-K206 WeakPolarHBondContact O-CG 3.38Å; Q202-K206 PolarHBondContact O-N 2.89Å; Q202-K206 VanDerWaalsContact O-N 3.14Å; T203-K206 WeakPolarHBondContact O-CB 3.35Å; T203-K206 PolarHBondContact O-N 3.18Å; T203-K206 VanDerWaalsContact O-N 3.11Å; I204-K206 VanDerWaalsContact C-N 3.34Å; I204-K206 PolarHBondContact O-N 3.17Å; K206-L208 PolarHBondContact O-N 3.11Å; K206-T209 WeakPolarHBondContact O-CB 3Å; K206-T209 PolarHBondContact O-N 2.71Å; K206-T209 VanDerWaalsContact O-N 3.17Å; K206-A210 PolarHBondContact O-N 3.05Å |
| 207 | L | 85.3 | Confident | 80.4 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 178 | -66.8 | -177.9 | 0 | 0 | 0 | 112.1 | I169 V177 V181 L199 T203 I204 T209 A210 L211 I222 | I169-L207 HydrophobicContact CG2-CD2 3.82Å; I169-L207 HydrophobicContact CG2-CG 4.44Å; V177-L207 HydrophobicContact CG1-CD2 3.58Å; V181-L207 HydrophobicContact CG2-CD1 4.43Å; V181-L207 HydrophobicContact CG2-CD2 3.59Å; L199-L207 HydrophobicContact CD2-CD1 4.42Å; T203-L207 WeakPolarHBondContact O-CG 3.48Å; T203-L207 PolarHBondContact O-N 2.83Å; I204-L207 PolarHBondContact O-N 2.85Å; L207-T209 VanDerWaalsContact C-N 3.31Å; L207-T209 PolarHBondContact O-N 3.05Å; L207-A210 PolarHBondContact O-N 2.92Å; L207-L211 WeakPolarHBondContact O-CB 3.4Å; L207-L211 PolarHBondContact O-N 2.84Å; L207-I222 HydrophobicContact CB-CG2 4.08Å; L207-I222 HydrophobicContact CD2-CG1 4.43Å |
| 208 | L | 85.2 | Confident | 81.7 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.9 | -24.4 | 175.7 | -69.1 | 171.3 | 0 | 0 | 0 | 113.3 | I204 N205 K206 L211 N212 L226 I240 R243 V244 | I204-L208 HydrophobicContact CG2-CD1 3.84Å; I204-L208 HydrophobicContact CG2-CG 4.3Å; I204-L208 WeakPolarHBondContact O-CB 3.38Å; I204-L208 VanDerWaalsContact O-CG 3.3Å; I204-L208 WeakPolarHBondContact O-CG 3.41Å; I204-L208 PolarHBondContact O-N 3.22Å; N205-L208 PolarHBondContact O-N 3.33Å; K206-L208 PolarHBondContact O-N 3.11Å; L208-L211 HydrophobicContact CD2-CD2 4.09Å; L208-N212 PolarHBondContact O-ND2 2.89Å; L208-L226 HydrophobicContact CD2-CD1 3.68Å; L208-L226 HydrophobicContact CG-CD1 4.5Å; L208-I240 HydrophobicContact CD1-CG1 4.06Å; L208-I240 HydrophobicContact CD1-CG2 4.42Å; L208-I240 HydrophobicContact CD2-CG2 4.27Å; L208-R243 HydrophobicContact CD1-CB 4.41Å; L208-R243 HydrophobicContact CD1-CG 4.37Å; L208-R243 HydrophobicContact CD2-CB 4.03Å; L208-V244 HydrophobicContact CD2-CG2 4.41Å |
| 209 | T | 85.8 | Confident | 83.2 | Confident | 87 Ų | 87 | 57.2 Ų | 57.2 | 53% | 0.534 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.2 | -51.3 | 167.6 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | N205 K206 L207 L211 N212 | N205-T209 PolarHBondContact O-N 3.43Å; N205-T209 PolarHBondContact O-OG1 2.86Å; K206-T209 WeakPolarHBondContact O-CB 3Å; K206-T209 PolarHBondContact O-N 2.71Å; K206-T209 VanDerWaalsContact O-N 3.17Å; L207-T209 VanDerWaalsContact C-N 3.31Å; L207-T209 PolarHBondContact O-N 3.05Å; T209-L211 VanDerWaalsContact C-N 3.27Å; T209-L211 PolarHBondContact O-N 3.47Å; T209-N212 PolarHBondContact O-N 3.46Å; T209-N212 PolarHBondContact O-ND2 3.24Å |
| 210 | A | 85 | Confident | 84.4 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.8 | -34.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | P174 K206 L207 N212 E213 C214 I222 | P174-A210 HydrophobicContact CB-CB 4.29Å; K206-A210 PolarHBondContact O-N 3.05Å; L207-A210 PolarHBondContact O-N 2.92Å; A210-N212 PolarHBondContact O-N 3Å; A210-E213 CarbonylContact O-C 3.4Å; A210-E213 PolarHBondContact O-N 3.03Å; A210-C214 PolarHBondContact O-N 3.44Å; A210-C214 PolarHBondContact O-SG 3.36Å; A210-I222 HydrophobicContact CB-CD1 4.26Å |
| 211 | L | 86.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -25.9 | 176.9 | -175.3 | 65.8 | 0 | 0 | 0 | 114.1 | L207 L208 T209 Q219 I222 L223 V244 R247 | L207-L211 WeakPolarHBondContact O-CB 3.4Å; L207-L211 PolarHBondContact O-N 2.84Å; L208-L211 HydrophobicContact CD2-CD2 4.09Å; T209-L211 VanDerWaalsContact C-N 3.27Å; T209-L211 PolarHBondContact O-N 3.47Å; L211-Q219 HydrophobicContact CD1-CB 3.75Å; L211-Q219 HydrophobicContact CD1-CG 3.97Å; L211-I222 HydrophobicContact CB-CG2 4.36Å; L211-I222 HydrophobicContact CD1-CB 4.24Å; L211-I222 HydrophobicContact CD1-CG2 4.03Å; L211-L223 HydrophobicContact CD1-CG 4.16Å; L211-L223 HydrophobicContact CD2-CD2 4.38Å; L211-V244 HydrophobicContact CD2-CG2 4.5Å; L211-R247 HydrophobicContact CD2-CG 4.34Å; L211-R247 PolarHBondContact O-NH1 3.47Å |
| 212 | N | 84.3 | Confident | 85.7 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 45% | 0.449 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -25.6 | 178 | -52.6 | -77.5 | 0 | 0 | 0 | 113 | L208 T209 A210 | L208-N212 PolarHBondContact O-ND2 2.89Å; T209-N212 PolarHBondContact O-N 3.46Å; T209-N212 PolarHBondContact O-ND2 3.24Å; A210-N212 PolarHBondContact O-N 3Å |
| 213 | E | 84.3 | Confident | 86.2 | Confident | 148 Ų | 148 | 47 Ų | 47 | 69% | 0.692 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -14.4 | -172 | -62.5 | -179.8 | -177.3 | 0 | 0 | 112.9 | P174 A210 | P174-E213 HydrophobicContact CB-CB 4.37Å; P174-E213 HydrophobicContact CG-CB 3.87Å; A210-E213 CarbonylContact O-C 3.4Å; A210-E213 PolarHBondContact O-N 3.03Å |
| 214 | C | 83.1 | Confident | 86.5 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -64.6 | 149.2 | 174.9 | -76.9 | 0 | 0 | 0 | 0 | 113 | P174 A210 Q219 I222 | P174-C214 PolarHBondContact O-SG 3.07Å; P174-C214 VanDerWaalsContact O-SG 3.36Å; A210-C214 PolarHBondContact O-N 3.44Å; A210-C214 PolarHBondContact O-SG 3.36Å; C214-Q219 HydrophobicContact CB-CG 3.88Å; C214-Q219 PolarHBondContact O-NE2 3.16Å; C214-I222 VanDerWaalsContact SG-CD1 3.55Å |
| 215 | T | 88.6 | Confident | 86.5 | Confident | 73 Ų | 73 | 48 Ų | 48 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | trans | -63.6 | 160 | 164 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | M175 W217 G218 Q219 | M175-T215 HydrophobicContact CE-CG2 4.16Å; T215-W217 VanDerWaalsContact C-N 3.3Å; T215-W217 PolarHBondContact O-N 3.42Å; T215-G218 CarbonylContact O-C 3.53Å; T215-G218 WeakPolarHBondContact O-CA 3.45Å; T215-G218 PolarHBondContact O-N 2.62Å; T215-Q219 WeakPolarHBondContact O-CG 3.41Å; T215-Q219 PolarHBondContact O-N 3.48Å | ||
| 216 | E | 88.6 | Confident | 86.6 | Confident | 74 Ų | 74 | 43.8 Ų | 43.8 | 35% | 0.346 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -48.7 | -47.8 | -176.3 | -46.5 | -172.1 | 141.6 | 0 | 0 | 113.3 | G218 Q219 I220 H250 N252 V255 | E216-G218 VanDerWaalsContact C-N 3.35Å; E216-G218 PolarHBondContact O-N 3.15Å; E216-Q219 WeakPolarHBondContact O-CB 3.25Å; E216-Q219 PolarHBondContact O-N 3.42Å; E216-Q219 VanDerWaalsContact O-N 3.15Å; E216-I220 WeakPolarHBondContact O-CG1 3.39Å; E216-I220 PolarHBondContact O-N 3.2Å; E216-H250 IonicContact OE1-CE1 2.85Å; E216-H250 PolarHBondContact OE1-CE1 3.45Å; E216-H250 VanDerWaalsContact OE1-CE1 3.27Å; E216-H250 IonicContact OE1-ND1 2.75Å; E216-N252 PolarHBondContact OE2-ND2 3.37Å; E216-V255 HydrophobicContact CB-CG2 4.12Å |
| 217 | W | 86.6 | Confident | 86.6 | Confident | 177 Ų | 177 | 39.8 Ų | 39.8 | 67% | 0.67 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -57.9 | -43.1 | 174.7 | -63.8 | 94.9 | 0 | 0 | 0 | 113 | T215 Q219 I220 F221 | T215-W217 VanDerWaalsContact C-N 3.3Å; T215-W217 PolarHBondContact O-N 3.42Å; W217-Q219 VanDerWaalsContact C-N 3.34Å; W217-I220 PolarHBondContact O-N 3.06Å; W217-F221 HydrophobicContact CB-CE2 4.27Å; W217-F221 WeakPolarHBondContact O-CD2 3.17Å; W217-F221 VanDerWaalsContact O-CG 3.27Å; W217-F221 WeakPolarHBondContact O-CG 3.31Å; W217-F221 PolarHBondContact O-N 3.3Å |
| 218 | G | 86.9 | Confident | 86.4 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69 | -32.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T215 E216 I222 | T215-G218 CarbonylContact O-C 3.53Å; T215-G218 WeakPolarHBondContact O-CA 3.45Å; T215-G218 PolarHBondContact O-N 2.62Å; E216-G218 VanDerWaalsContact C-N 3.35Å; E216-G218 PolarHBondContact O-N 3.15Å; G218-I222 WeakPolarHBondContact O-CB 3.32Å; G218-I222 VanDerWaalsContact O-CG1 3.27Å; G218-I222 WeakPolarHBondContact O-CG1 3.34Å; G218-I222 PolarHBondContact O-N 2.92Å |
| 219 | Q | 90.3 | Very high | 86.2 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66 | -40.1 | 172.5 | -61.1 | 179.2 | 42.7 | 0 | 0 | 111.1 | L211 C214 T215 E216 W217 I222 L223 | L211-Q219 HydrophobicContact CD1-CB 3.75Å; L211-Q219 HydrophobicContact CD1-CG 3.97Å; C214-Q219 HydrophobicContact CB-CG 3.88Å; C214-Q219 PolarHBondContact O-NE2 3.16Å; T215-Q219 WeakPolarHBondContact O-CG 3.41Å; T215-Q219 PolarHBondContact O-N 3.48Å; E216-Q219 WeakPolarHBondContact O-CB 3.25Å; E216-Q219 PolarHBondContact O-N 3.42Å; E216-Q219 VanDerWaalsContact O-N 3.15Å; W217-Q219 VanDerWaalsContact C-N 3.34Å; Q219-I222 PolarHBondContact O-N 3.47Å; Q219-L223 WeakPolarHBondContact O-CB 3.44Å; Q219-L223 WeakPolarHBondContact O-CD1 3.38Å; Q219-L223 WeakPolarHBondContact O-CG 2.97Å; Q219-L223 PolarHBondContact O-N 3.27Å |
| 220 | I | 90.4 | Very high | 85.9 | Confident | 21 Ų | 21 | 42.9 Ų | 42.9 | 11% | 0.108 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -52.2 | 174.5 | -65.7 | 161.5 | 0 | 0 | 0 | 110.5 | E216 W217 I222 L223 D224 A254 V255 | E216-I220 WeakPolarHBondContact O-CG1 3.39Å; E216-I220 PolarHBondContact O-N 3.2Å; W217-I220 PolarHBondContact O-N 3.06Å; I220-I222 VanDerWaalsContact C-N 3.28Å; I220-I222 PolarHBondContact O-N 3.15Å; I220-L223 PolarHBondContact O-N 3.33Å; I220-D224 WeakPolarHBondContact CG2-OD2 3.45Å; I220-D224 PolarHBondContact O-N 3Å; I220-A254 HydrophobicContact CD1-CB 3.66Å; I220-A254 HydrophobicContact CG1-CB 4.47Å; I220-V255 HydrophobicContact CD1-CG2 4.18Å; I220-V255 HydrophobicContact CG1-CG2 3.96Å |
| 221 | F | 88.8 | Confident | 85.6 | Confident | 69 Ų | 69 | 42.7 Ų | 42.7 | 30% | 0.303 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59 | -37.3 | 179 | -56.9 | -39.4 | 0 | 0 | 0 | 113.2 | A182 W217 C225 | A182-F221 HydrophobicContact CB-CB 4.22Å; A182-F221 HydrophobicContact CB-CD1 4.13Å; A182-F221 HydrophobicContact CB-CD2 3.7Å; A182-F221 HydrophobicContact CB-CE1 4.42Å; A182-F221 HydrophobicContact CB-CE2 4.01Å; A182-F221 HydrophobicContact CB-CG 3.77Å; A182-F221 HydrophobicContact CB-CZ 4.37Å; W217-F221 HydrophobicContact CB-CE2 4.27Å; W217-F221 WeakPolarHBondContact O-CD2 3.17Å; W217-F221 VanDerWaalsContact O-CG 3.27Å; W217-F221 WeakPolarHBondContact O-CG 3.31Å; W217-F221 PolarHBondContact O-N 3.3Å; F221-C225 VanDerWaalsContact O-CB 3.27Å; F221-C225 WeakPolarHBondContact O-CB 3.46Å; F221-C225 PolarHBondContact O-N 3.14Å |
| 222 | I | 88.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.1 | -43.7 | 174 | -70.3 | 169.1 | 0 | 0 | 0 | 111.1 | L207 A210 L211 C214 G218 Q219 I220 C225 L226 | L207-I222 HydrophobicContact CB-CG2 4.08Å; L207-I222 HydrophobicContact CD2-CG1 4.43Å; A210-I222 HydrophobicContact CB-CD1 4.26Å; L211-I222 HydrophobicContact CB-CG2 4.36Å; L211-I222 HydrophobicContact CD1-CB 4.24Å; L211-I222 HydrophobicContact CD1-CG2 4.03Å; C214-I222 VanDerWaalsContact SG-CD1 3.55Å; G218-I222 WeakPolarHBondContact O-CB 3.32Å; G218-I222 VanDerWaalsContact O-CG1 3.27Å; G218-I222 WeakPolarHBondContact O-CG1 3.34Å; G218-I222 PolarHBondContact O-N 2.92Å; Q219-I222 PolarHBondContact O-N 3.47Å; I220-I222 VanDerWaalsContact C-N 3.28Å; I220-I222 PolarHBondContact O-N 3.15Å; I222-C225 PolarHBondContact O-N 2.85Å; I222-L226 HydrophobicContact CG2-CD1 3.93Å; I222-L226 HydrophobicContact CG2-CG 4.43Å; I222-L226 WeakPolarHBondContact O-CB 3.39Å; I222-L226 VanDerWaalsContact O-CG 3.24Å; I222-L226 WeakPolarHBondContact O-CG 3.49Å; I222-L226 PolarHBondContact O-N 2.88Å |
| 223 | L | 89.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 178.3 | -72.6 | 166 | 0 | 0 | 0 | 112.1 | L211 Q219 I220 L226 A227 V244 V255 A259 V262 | L211-L223 HydrophobicContact CD1-CG 4.16Å; L211-L223 HydrophobicContact CD2-CD2 4.38Å; Q219-L223 WeakPolarHBondContact O-CB 3.44Å; Q219-L223 WeakPolarHBondContact O-CD1 3.38Å; Q219-L223 WeakPolarHBondContact O-CG 2.97Å; Q219-L223 PolarHBondContact O-N 3.27Å; I220-L223 PolarHBondContact O-N 3.33Å; L223-L226 CarbonylContact O-C 3.59Å; L223-L226 PolarHBondContact O-N 2.87Å; L223-A227 WeakPolarHBondContact O-CB 3.47Å; L223-A227 PolarHBondContact O-N 3.39Å; L223-V244 HydrophobicContact CD2-CG1 3.88Å; L223-V244 HydrophobicContact CD2-CG2 3.92Å; L223-V255 HydrophobicContact CD1-CG1 4.32Å; L223-A259 HydrophobicContact CD1-CB 4.28Å; L223-V262 HydrophobicContact CB-CG2 4.18Å; L223-V262 HydrophobicContact CD2-CG2 4.11Å; L223-V262 WeakPolarHBondContact O-CG2 3.29Å |
| 224 | D | 86.6 | Confident | 84.6 | Confident | 46 Ų | 46 | 49.1 Ų | 49.1 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.6 | -36.2 | 177 | -72 | -33 | 0 | 0 | 0 | 112.4 | I220 A227 N228 K261 | I220-D224 WeakPolarHBondContact CG2-OD2 3.45Å; I220-D224 PolarHBondContact O-N 3Å; D224-A227 WeakPolarHBondContact O-CB 3.41Å; D224-A227 PolarHBondContact O-N 3.15Å; D224-N228 PolarHBondContact O-N 3.4Å; D224-N228 VanDerWaalsContact O-N 3.15Å; D224-K261 IonicContact OD1-NZ 2.73Å; D224-K261 PolarHBondContact OD1-NZ 3.07Å |
| 225 | C | 84.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 169.7 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | V181 F221 I222 A227 N228 Y229 | V181-C225 HydrophobicContact CG1-CB 3.5Å; F221-C225 VanDerWaalsContact O-CB 3.27Å; F221-C225 WeakPolarHBondContact O-CB 3.46Å; F221-C225 PolarHBondContact O-N 3.14Å; I222-C225 PolarHBondContact O-N 2.85Å; C225-A227 VanDerWaalsContact C-N 3.31Å; C225-A227 PolarHBondContact O-N 3.46Å; C225-N228 WeakPolarHBondContact O-CB 3.36Å; C225-N228 PolarHBondContact O-N 3.38Å; C225-N228 VanDerWaalsContact O-N 3.17Å; C225-Y229 PolarHBondContact O-N 3.01Å |
| 226 | L | 85.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -34.5 | 172 | -69.7 | 168.2 | 0 | 0 | 0 | 112.1 | I204 L208 I222 L223 N228 Y229 V262 F266 | I204-L226 HydrophobicContact CG1-CD2 4.35Å; I204-L226 HydrophobicContact CG2-CD2 3.87Å; L208-L226 HydrophobicContact CD2-CD1 3.68Å; L208-L226 HydrophobicContact CG-CD1 4.5Å; I222-L226 HydrophobicContact CG2-CD1 3.93Å; I222-L226 HydrophobicContact CG2-CG 4.43Å; I222-L226 WeakPolarHBondContact O-CB 3.39Å; I222-L226 VanDerWaalsContact O-CG 3.24Å; I222-L226 WeakPolarHBondContact O-CG 3.49Å; I222-L226 PolarHBondContact O-N 2.88Å; L223-L226 CarbonylContact O-C 3.59Å; L223-L226 PolarHBondContact O-N 2.87Å; L226-N228 PolarHBondContact O-N 2.88Å; L226-Y229 WeakPolarHBondContact O-CB 3.48Å; L226-Y229 PolarHBondContact O-N 3.19Å; L226-Y229 VanDerWaalsContact O-N 3.16Å; L226-V262 HydrophobicContact CB-CG2 4.4Å; L226-F266 VanDerWaalsContact O-CZ 3.29Å; L226-F266 WeakPolarHBondContact O-CZ 3.29Å |
| 227 | A | 83.7 | Confident | 84.1 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.9 | -23.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | L223 D224 C225 K261 V262 K265 | L223-A227 WeakPolarHBondContact O-CB 3.47Å; L223-A227 PolarHBondContact O-N 3.39Å; D224-A227 WeakPolarHBondContact O-CB 3.41Å; D224-A227 PolarHBondContact O-N 3.15Å; C225-A227 VanDerWaalsContact C-N 3.31Å; C225-A227 PolarHBondContact O-N 3.46Å; A227-K261 HydrophobicContact CB-CD 3.56Å; A227-K261 HydrophobicContact CB-CG 4.19Å; A227-V262 HydrophobicContact CB-CG2 3.96Å; A227-K265 VanDerWaalsContact O-CD 3.29Å; A227-K265 WeakPolarHBondContact O-CD 3.39Å; A227-K265 PolarHBondContact O-NZ 2.66Å |
| 228 | N | 81.1 | Confident | 84 | Confident | 62 Ų | 62 | 47.6 Ų | 47.6 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -77.4 | -36.1 | 169.9 | -68.6 | -34.6 | 0 | 0 | 0 | 111.9 | D224 C225 L226 K265 K591 | D224-N228 PolarHBondContact O-N 3.4Å; D224-N228 VanDerWaalsContact O-N 3.15Å; C225-N228 WeakPolarHBondContact O-CB 3.36Å; C225-N228 PolarHBondContact O-N 3.38Å; C225-N228 VanDerWaalsContact O-N 3.17Å; L226-N228 PolarHBondContact O-N 2.88Å; N228-K265 PolarHBondContact O-NZ 2.93Å; N228-K591 PolarHBondContact OD1-NZ 2.99Å |
| 229 | Y | 82 | Confident | 83.9 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 8% | 0.078 | 24% | 0.24 | C | C | . | . | trans | -59.3 | 152.1 | 178.3 | -177.6 | -115.5 | 0 | 0 | 0 | 114 | L199 I204 C225 L226 P231 E236 I240 K265 | L199-Y229 HydrophobicContact CB-CD2 3.93Å; L199-Y229 HydrophobicContact CB-CE2 4.35Å; L199-Y229 HydrophobicContact CD1-CD2 4.4Å; L199-Y229 WeakPolarHBondContact O-CE2 3.42Å; I204-Y229 HydrophobicContact CD1-CD1 3.45Å; I204-Y229 VanDerWaalsContact CD1-CD1 3.45Å; I204-Y229 HydrophobicContact CD1-CD2 3.59Å; I204-Y229 HydrophobicContact CD1-CE1 3.25Å; I204-Y229 HydrophobicContact CD1-CE2 3.42Å; I204-Y229 VanDerWaalsContact CD1-CE2 3.42Å; I204-Y229 HydrophobicContact CD1-CG 3.6Å; C225-Y229 PolarHBondContact O-N 3.01Å; L226-Y229 WeakPolarHBondContact O-CB 3.48Å; L226-Y229 PolarHBondContact O-N 3.19Å; L226-Y229 VanDerWaalsContact O-N 3.16Å; Y229-P231 HydrophobicContact CD1-CG 4.07Å; Y229-P231 VanDerWaalsContact CE1-CA 3.45Å; Y229-P231 HydrophobicContact CE1-CB 4.16Å; Y229-P231 HydrophobicContact CE1-CG 4Å; Y229-E236 VanDerWaalsContact OH-CD 3.3Å; Y229-E236 PolarHBondContact OH-OE1 2.87Å; Y229-E236 PolarHBondContact OH-OE2 2.86Å; Y229-E236 VanDerWaalsContact OH-OE2 3.06Å; Y229-I240 HydrophobicContact CD1-CD1 4.47Å; Y229-I240 HydrophobicContact CE1-CD1 4.37Å; Y229-K265 PolarHBondContact O-NZ 2.85Å | ||
| 230 | T | 79.1 | Confident | 83.8 | Confident | 80 Ų | 80 | 49.9 Ų | 49.9 | 49% | 0.491 | 24% | 0.239 | S | C | . | . | trans | -121.8 | 109 | 171.1 | 51 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 231 | P | 78.9 | Confident | 83.6 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 5% | 0.045 | 23% | 0.234 | C | C | . | . | trans | -55.6 | 149.7 | 174.8 | -26.6 | 35 | 0 | 0 | 0 | 113 | Y229 E236 I240 F266 M269 | Y229-P231 HydrophobicContact CD1-CG 4.07Å; Y229-P231 VanDerWaalsContact CE1-CA 3.45Å; Y229-P231 HydrophobicContact CE1-CB 4.16Å; Y229-P231 HydrophobicContact CE1-CG 4Å; P231-E236 VanDerWaalsContact CA-OE2 3.28Å; P231-E236 WeakPolarHBondContact CA-OE2 3.27Å; P231-E236 HydrophobicContact CB-CB 4.31Å; P231-E236 HydrophobicContact CB-CG 4.3Å; P231-I240 HydrophobicContact CG-CD1 3.91Å; P231-F266 HydrophobicContact CG-CD1 3.9Å; P231-F266 HydrophobicContact CG-CE1 3.67Å; P231-F266 HydrophobicContact CG-CE2 4.45Å; P231-F266 HydrophobicContact CG-CG 4.4Å; P231-F266 HydrophobicContact CG-CZ 3.97Å; P231-M269 VanDerWaalsContact O-CE 3.31Å; P231-M269 WeakPolarHBondContact O-CE 3.46Å | ||
| 232 | R | 75.7 | Confident | 83.5 | Confident | 179 Ų | 179 | 49.8 Ų | 49.8 | 68% | 0.675 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -85.3 | -35.1 | 179.5 | -60.1 | -176.2 | -177.3 | -166.3 | -1 | 112.8 | E236 | R232-E236 PolarHBondContact N-OE2 2.95Š|
| 233 | D | 78.6 | Confident | 83.5 | Confident | 106 Ų | 106 | 56.2 Ų | 56.2 | 57% | 0.567 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -130.2 | 148.4 | -176.1 | -61.8 | -57.2 | 0 | 0 | 0 | 111.3 | R235 E236 S237 | D233-R235 PolarHBondContact O-N 2.96Å; D233-R235 VanDerWaalsContact O-N 3.07Å; D233-E236 WeakPolarHBondContact O-CA 3.47Å; D233-E236 WeakPolarHBondContact O-CB 3.28Å; D233-E236 PolarHBondContact O-N 3.38Å; D233-S237 PolarHBondContact O-N 3.46Å |
| 234 | D | 79.8 | Confident | 83.5 | Confident | 84 Ų | 84 | 56.2 Ų | 56.2 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -51.6 | -33.1 | 170.7 | -52.9 | 2.4 | 0 | 0 | 0 | 112.4 | S237 Q238 L270 | D234-S237 WeakPolarHBondContact O-CB 3.49Å; D234-S237 PolarHBondContact O-N 2.97Å; D234-Q238 WeakPolarHBondContact O-CB 3.37Å; D234-Q238 PolarHBondContact O-N 2.96Å; D234-L270 WeakPolarHBondContact O-CD2 3.48Å |
| 235 | R | 81.6 | Confident | 83.6 | Confident | 213 Ų | 213 | 55.2 Ų | 55.2 | 80% | 0.804 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -70.3 | -35.7 | 178.3 | -63.6 | -179.4 | -179.4 | 176.4 | 1.6 | 112.6 | D233 S239 | D233-R235 PolarHBondContact O-N 2.96Å; D233-R235 VanDerWaalsContact O-N 3.07Å; R235-S239 WeakPolarHBondContact O-CB 3.48Å; R235-S239 PolarHBondContact O-N 2.84Å |
| 236 | E | 83.2 | Confident | 83.9 | Confident | 31 Ų | 31 | 58.4 Ų | 58.4 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.5 | -47.5 | 172.5 | -173.7 | -177.2 | -151.4 | 0 | 0 | 109.2 | Y229 P231 R232 D233 Q238 S239 I240 | Y229-E236 VanDerWaalsContact OH-CD 3.3Å; Y229-E236 PolarHBondContact OH-OE1 2.87Å; Y229-E236 PolarHBondContact OH-OE2 2.86Å; Y229-E236 VanDerWaalsContact OH-OE2 3.06Å; P231-E236 VanDerWaalsContact CA-OE2 3.28Å; P231-E236 WeakPolarHBondContact CA-OE2 3.27Å; P231-E236 HydrophobicContact CB-CB 4.31Å; P231-E236 HydrophobicContact CB-CG 4.3Å; R232-E236 PolarHBondContact N-OE2 2.95Å; D233-E236 WeakPolarHBondContact O-CA 3.47Å; D233-E236 WeakPolarHBondContact O-CB 3.28Å; D233-E236 PolarHBondContact O-N 3.38Å; E236-Q238 PolarHBondContact O-N 3.2Å; E236-S239 PolarHBondContact O-N 2.86Å; E236-S239 VanDerWaalsContact O-N 3.16Å; E236-I240 HydrophobicContact CG-CD1 3.97Å; E236-I240 VanDerWaalsContact O-CG1 3.27Å; E236-I240 WeakPolarHBondContact O-CG1 3.48Å; E236-I240 PolarHBondContact O-N 3Å |
| 237 | S | 83.8 | Confident | 84 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.6 | -51.2 | 173.7 | 178.1 | 0 | 0 | 0 | 0 | 112.3 | D233 D234 S239 I240 C241 F266 | D233-S237 PolarHBondContact O-N 3.46Å; D234-S237 WeakPolarHBondContact O-CB 3.49Å; D234-S237 PolarHBondContact O-N 2.97Å; S237-S239 PolarHBondContact O-N 3.4Å; S237-I240 PolarHBondContact O-N 2.88Å; S237-C241 PolarHBondContact O-N 2.85Å; S237-C241 PolarHBondContact O-SG 2.75Å; S237-C241 VanDerWaalsContact O-SG 3.32Å; S237-F266 PolarHBondContact OG-O 3.27Å |
| 238 | Q | 84.9 | Confident | 84.2 | Confident | 56 Ų | 56 | 60 Ų | 60 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 176.4 | -177.7 | -175.7 | -23.3 | 0 | 0 | 111.6 | D234 E236 I240 C241 E242 L270 Y276 | D234-Q238 WeakPolarHBondContact O-CB 3.37Å; D234-Q238 PolarHBondContact O-N 2.96Å; E236-Q238 PolarHBondContact O-N 3.2Å; Q238-I240 VanDerWaalsContact C-N 3.32Å; Q238-I240 PolarHBondContact O-N 3.37Å; Q238-C241 WeakPolarHBondContact O-CB 3.32Å; Q238-C241 PolarHBondContact O-N 3.18Å; Q238-C241 VanDerWaalsContact O-N 3.17Å; Q238-E242 HydrophobicContact CG-CG 4.47Å; Q238-E242 PolarHBondContact NE2-OE1 2.89Å; Q238-E242 WeakPolarHBondContact O-CG 3.47Å; Q238-E242 PolarHBondContact O-N 3.31Å; Q238-L270 HydrophobicContact CB-CD2 4.14Å; Q238-Y276 HydrophobicContact CG-CD1 4.07Å; Q238-Y276 HydrophobicContact CG-CD2 4.42Å; Q238-Y276 HydrophobicContact CG-CE1 4.1Å; Q238-Y276 HydrophobicContact CG-CE2 4.43Å; Q238-Y276 HydrophobicContact CG-CG 4.25Å |
| 239 | S | 86.2 | Confident | 84.4 | Confident | 55 Ų | 55 | 62.2 Ų | 62.2 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | -178.9 | -161.2 | 0 | 0 | 0 | 0 | 112.1 | R235 E236 S237 E242 R243 | R235-S239 WeakPolarHBondContact O-CB 3.48Å; R235-S239 PolarHBondContact O-N 2.84Å; E236-S239 PolarHBondContact O-N 2.86Å; E236-S239 VanDerWaalsContact O-N 3.16Å; S237-S239 PolarHBondContact O-N 3.4Å; S239-E242 PolarHBondContact O-N 2.72Å; S239-R243 VanDerWaalsContact O-CG 3.29Å; S239-R243 WeakPolarHBondContact O-CG 3.26Å; S239-R243 PolarHBondContact O-N 2.74Å; S239-R243 VanDerWaalsContact O-N 3.12Å |
| 240 | I | 86.9 | Confident | 84.8 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 173.2 | -58.3 | 158.8 | 0 | 0 | 0 | 110.3 | I204 L208 Y229 P231 E236 S237 Q238 E242 R243 V244 F266 | I204-I240 HydrophobicContact CG2-CG1 4.48Å; L208-I240 HydrophobicContact CD1-CG1 4.06Å; L208-I240 HydrophobicContact CD1-CG2 4.42Å; L208-I240 HydrophobicContact CD2-CG2 4.27Å; Y229-I240 HydrophobicContact CD1-CD1 4.47Å; Y229-I240 HydrophobicContact CE1-CD1 4.37Å; P231-I240 HydrophobicContact CG-CD1 3.91Å; E236-I240 HydrophobicContact CG-CD1 3.97Å; E236-I240 VanDerWaalsContact O-CG1 3.27Å; E236-I240 WeakPolarHBondContact O-CG1 3.48Å; E236-I240 PolarHBondContact O-N 3Å; S237-I240 PolarHBondContact O-N 2.88Å; Q238-I240 VanDerWaalsContact C-N 3.32Å; Q238-I240 PolarHBondContact O-N 3.37Å; I240-E242 VanDerWaalsContact C-N 3.31Å; I240-E242 PolarHBondContact O-N 3.34Å; I240-R243 PolarHBondContact O-N 3.04Å; I240-R243 VanDerWaalsContact O-N 3.11Å; I240-V244 HydrophobicContact CG2-CG2 4.05Å; I240-V244 WeakPolarHBondContact O-CB 3.45Å; I240-V244 WeakPolarHBondContact O-CG2 3.37Å; I240-V244 PolarHBondContact O-N 3.41Å; I240-F266 HydrophobicContact CB-CD2 4.31Å; I240-F266 HydrophobicContact CB-CE2 4.22Å; I240-F266 HydrophobicContact CD1-CE2 4.1Å; I240-F266 HydrophobicContact CG2-CD2 3.98Å; I240-F266 HydrophobicContact CG2-CE2 3.62Å |
| 241 | C | 86.7 | Confident | 85 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58 | -39.7 | 175.8 | -73.1 | 0 | 0 | 0 | 0 | 112.9 | S237 Q238 V244 T245 L263 Y276 L280 | S237-C241 PolarHBondContact O-N 2.85Å; S237-C241 PolarHBondContact O-SG 2.75Å; S237-C241 VanDerWaalsContact O-SG 3.32Å; Q238-C241 WeakPolarHBondContact O-CB 3.32Å; Q238-C241 PolarHBondContact O-N 3.18Å; Q238-C241 VanDerWaalsContact O-N 3.17Å; C241-V244 PolarHBondContact O-N 3.32Å; C241-T245 WeakPolarHBondContact O-CB 3.46Å; C241-T245 PolarHBondContact O-N 3.02Å; C241-T245 PolarHBondContact O-OG1 3.01Å; C241-L263 HydrophobicContact CB-CD2 3.76Å; C241-L263 VanDerWaalsContact SG-CD2 3.6Å; C241-Y276 HydrophobicContact CB-CE1 4.05Å; C241-L280 HydrophobicContact CB-CD1 3.95Å |
| 242 | E | 86.9 | Confident | 85.5 | Confident | 89 Ų | 89 | 66 Ų | 66 | 42% | 0.416 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 174.9 | -73.7 | 178.3 | -172.6 | 0 | 0 | 112.3 | Q238 S239 I240 P246 Y276 | Q238-E242 HydrophobicContact CG-CG 4.47Å; Q238-E242 PolarHBondContact NE2-OE1 2.89Å; Q238-E242 WeakPolarHBondContact O-CG 3.47Å; Q238-E242 PolarHBondContact O-N 3.31Å; S239-E242 PolarHBondContact O-N 2.72Å; I240-E242 VanDerWaalsContact C-N 3.31Å; I240-E242 PolarHBondContact O-N 3.34Å; E242-P246 WeakPolarHBondContact O-CD 3.4Å; E242-Y276 WeakPolarHBondContact CA-OH 3.25Å; E242-Y276 HydrophobicContact CG-CE2 3.51Å; E242-Y276 WeakPolarHBondContact CG-OH 3.28Å; E242-Y276 PolarHBondContact N-OH 3.11Å; E242-Y276 VanDerWaalsContact N-OH 3.16Å |
| 243 | R | 88 | Confident | 86 | Confident | 135 Ų | 135 | 58.6 Ų | 58.6 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -74.1 | -31.1 | 176.5 | -64.8 | -67.9 | -175.3 | 165 | 3.6 | 113.4 | L208 S239 I240 P246 | L208-R243 HydrophobicContact CD1-CB 4.41Å; L208-R243 HydrophobicContact CD1-CG 4.37Å; L208-R243 HydrophobicContact CD2-CB 4.03Å; S239-R243 VanDerWaalsContact O-CG 3.29Å; S239-R243 WeakPolarHBondContact O-CG 3.26Å; S239-R243 PolarHBondContact O-N 2.74Å; S239-R243 VanDerWaalsContact O-N 3.12Å; I240-R243 PolarHBondContact O-N 3.04Å; I240-R243 VanDerWaalsContact O-N 3.11Å; R243-P246 WeakPolarHBondContact O-CD 3.49Å |
| 244 | V | 89.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -83.5 | -29.2 | 179.6 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | L208 L211 L223 I240 C241 P246 R247 A259 V262 L263 | L208-V244 HydrophobicContact CD2-CG2 4.41Å; L211-V244 HydrophobicContact CD2-CG2 4.5Å; L223-V244 HydrophobicContact CD2-CG1 3.88Å; L223-V244 HydrophobicContact CD2-CG2 3.92Å; I240-V244 HydrophobicContact CG2-CG2 4.05Å; I240-V244 WeakPolarHBondContact O-CB 3.45Å; I240-V244 WeakPolarHBondContact O-CG2 3.37Å; I240-V244 PolarHBondContact O-N 3.41Å; C241-V244 PolarHBondContact O-N 3.32Å; V244-P246 VanDerWaalsContact C-CD 3.49Å; V244-P246 VanDerWaalsContact C-N 3.34Å; V244-P246 VanDerWaalsContact O-N 3.17Å; V244-R247 VanDerWaalsContact O-CB 3.3Å; V244-R247 WeakPolarHBondContact O-CB 3.45Å; V244-R247 PolarHBondContact O-N 3.35Å; V244-A259 HydrophobicContact CG1-CB 3.82Å; V244-V262 HydrophobicContact CG2-CG1 4.24Å; V244-L263 HydrophobicContact CB-CD2 4.21Å; V244-L263 HydrophobicContact CG1-CD1 4.27Å; V244-L263 HydrophobicContact CG1-CD2 4.11Å; V244-L263 HydrophobicContact CG1-CG 3.95Å |
| 245 | T | 88.4 | Confident | 87 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -47.9 | -43.9 | -179.8 | -68.6 | 0 | 0 | 0 | 0 | 114.1 | C241 R247 L248 K283 | C241-T245 WeakPolarHBondContact O-CB 3.46Å; C241-T245 PolarHBondContact O-N 3.02Å; C241-T245 PolarHBondContact O-OG1 3.01Å; T245-R247 PolarHBondContact O-N 3.38Å; T245-R247 VanDerWaalsContact O-N 3.08Å; T245-L248 WeakPolarHBondContact O-CB 3.41Å; T245-L248 WeakPolarHBondContact O-CG 3.25Å; T245-L248 PolarHBondContact O-N 3.47Å; T245-L248 VanDerWaalsContact O-N 3.12Å; T245-K283 HydrophobicContact CG2-CD 3.97Å |
| 246 | P | 89.9 | Confident | 87.4 | Confident | 68 Ų | 68 | 41.5 Ų | 41.5 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -68.8 | 2.6 | 176.2 | -20.3 | 34.5 | 0 | 0 | 0 | 116.1 | E242 R243 V244 | E242-P246 WeakPolarHBondContact O-CD 3.4Å; R243-P246 WeakPolarHBondContact O-CD 3.49Å; V244-P246 VanDerWaalsContact C-CD 3.49Å; V244-P246 VanDerWaalsContact C-N 3.34Å; V244-P246 VanDerWaalsContact O-N 3.17Å |
| 247 | R | 89.1 | Confident | 87.7 | Confident | 41 Ų | 41 | 40.5 Ų | 40.5 | 16% | 0.155 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -92 | -15.2 | 169.9 | -59.6 | -63.5 | 80.7 | 160.8 | 5.8 | 112.9 | L211 V244 T245 S249 H250 V255 A259 | L211-R247 HydrophobicContact CD2-CG 4.34Å; L211-R247 PolarHBondContact O-NH1 3.47Å; V244-R247 VanDerWaalsContact O-CB 3.3Å; V244-R247 WeakPolarHBondContact O-CB 3.45Å; V244-R247 PolarHBondContact O-N 3.35Å; T245-R247 PolarHBondContact O-N 3.38Å; T245-R247 VanDerWaalsContact O-N 3.08Å; R247-S249 PolarHBondContact O-N 3.02Å; R247-H250 WeakPolarHBondContact O-CB 2.91Å; R247-H250 PolarHBondContact O-N 3.35Å; R247-V255 HydrophobicContact CB-CG1 4.22Å; R247-A259 HydrophobicContact CB-CB 3.95Å |
| 248 | L | 86.7 | Confident | 87.9 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -23 | 176.6 | -69 | 174.2 | 0 | 0 | 0 | 113.7 | T245 A259 V260 L263 L284 P287 | T245-L248 WeakPolarHBondContact O-CB 3.41Å; T245-L248 WeakPolarHBondContact O-CG 3.25Å; T245-L248 PolarHBondContact O-N 3.47Å; T245-L248 VanDerWaalsContact O-N 3.12Å; L248-A259 HydrophobicContact CD2-CB 4.2Å; L248-V260 HydrophobicContact CD2-CG2 3.66Å; L248-L263 HydrophobicContact CD1-CD1 3.78Å; L248-L263 HydrophobicContact CD2-CD1 3.98Å; L248-L263 HydrophobicContact CG-CD1 4.02Å; L248-L284 HydrophobicContact CD1-CD1 3.95Å; L248-L284 HydrophobicContact CD2-CD1 4.1Å; L248-P287 HydrophobicContact CB-CB 4.24Å; L248-P287 HydrophobicContact CB-CG 3.7Å; L248-P287 HydrophobicContact CD1-CG 4.4Å; L248-P287 HydrophobicContact CD2-CG 4.49Å; L248-P287 HydrophobicContact CG-CG 4.43Å |
| 249 | S | 86.9 | Confident | 88.2 | Confident | 107 Ų | 107 | 38.2 Ų | 38.2 | 75% | 0.748 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 25 | 176.6 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | R247 | R247-S249 PolarHBondContact O-N 3.02Š|
| 250 | H | 89 | Confident | 88.4 | Confident | 45 Ų | 45 | 35.6 Ų | 35.6 | 21% | 0.208 | 21% | 0.208 | C | C | . | . | trans | -76.5 | 145.6 | 176.5 | -152.9 | -75.1 | 0 | 0 | 0 | 111.1 | E216 R247 N252 V255 V256 | E216-H250 IonicContact OE1-CE1 2.85Å; E216-H250 PolarHBondContact OE1-CE1 3.45Å; E216-H250 VanDerWaalsContact OE1-CE1 3.27Å; E216-H250 IonicContact OE1-ND1 2.75Å; R247-H250 WeakPolarHBondContact O-CB 2.91Å; R247-H250 PolarHBondContact O-N 3.35Å; H250-N252 PolarHBondContact ND1-N 3.21Å; H250-N252 PolarHBondContact O-N 2.95Å; H250-N252 VanDerWaalsContact O-N 3.11Å; H250-V255 HydrophobicContact CB-CB 4.06Å; H250-V255 HydrophobicContact CB-CG1 3.87Å; H250-V256 HydrophobicContact CB-CG2 4.28Å; H250-V256 WeakPolarHBondContact O-CG2 3.27Å | ||
| 251 | A | 84.6 | Confident | 88.5 | Confident | 104 Ų | 104 | 36 Ų | 36 | 86% | 0.86 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -70.6 | -1.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 252 | N | 88.3 | Confident | 88.6 | Confident | 38 Ų | 38 | 36 Ų | 36 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -116.9 | 116.5 | -176.9 | -179 | -32 | 0 | 0 | 0 | 109.2 | E216 H250 A254 V255 V256 | E216-N252 PolarHBondContact OE2-ND2 3.37Å; H250-N252 PolarHBondContact ND1-N 3.21Å; H250-N252 PolarHBondContact O-N 2.95Å; H250-N252 VanDerWaalsContact O-N 3.11Å; N252-A254 PolarHBondContact O-N 3.47Å; N252-A254 WeakPolarHBondContact OD1-CB 3.47Å; N252-A254 PolarHBondContact OD1-N 2.9Å; N252-V255 HydrophobicContact CB-CG2 4.08Å; N252-V255 WeakPolarHBondContact O-CB 3.37Å; N252-V255 PolarHBondContact O-N 3.25Å; N252-V255 VanDerWaalsContact O-N 3.09Å; N252-V256 PolarHBondContact O-N 3.4Å |
| 253 | S | 86.6 | Confident | 88.6 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 17% | 0.168 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.8 | -32 | -176.1 | -53.2 | 0 | 0 | 0 | 0 | 114 | V256 L257 L291 | S253-V256 PolarHBondContact O-N 3.04Å; S253-L257 WeakPolarHBondContact O-CB 3.41Å; S253-L257 WeakPolarHBondContact O-CG 3.2Å; S253-L257 PolarHBondContact O-N 2.89Å; S253-L291 WeakPolarHBondContact OG-CD2 3.39Å |
| 254 | A | 88.1 | Confident | 88.5 | Confident | 40 Ų | 40 | 25.3 Ų | 25.3 | 33% | 0.331 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -69.9 | -36.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I220 N252 S258 | I220-A254 HydrophobicContact CD1-CB 3.66Å; I220-A254 HydrophobicContact CG1-CB 4.47Å; N252-A254 PolarHBondContact O-N 3.47Å; N252-A254 WeakPolarHBondContact OD1-CB 3.47Å; N252-A254 PolarHBondContact OD1-N 2.9Å; A254-S258 WeakPolarHBondContact O-CB 3.47Å; A254-S258 PolarHBondContact O-N 3.5Å; A254-S258 PolarHBondContact O-OG 3.24Å |
| 255 | V | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 173.1 | -179 | 0 | 0 | 0 | 0 | 110.2 | E216 I220 L223 R247 H250 N252 A259 | E216-V255 HydrophobicContact CB-CG2 4.12Å; I220-V255 HydrophobicContact CD1-CG2 4.18Å; I220-V255 HydrophobicContact CG1-CG2 3.96Å; L223-V255 HydrophobicContact CD1-CG1 4.32Å; R247-V255 HydrophobicContact CB-CG1 4.22Å; H250-V255 HydrophobicContact CB-CB 4.06Å; H250-V255 HydrophobicContact CB-CG1 3.87Å; N252-V255 HydrophobicContact CB-CG2 4.08Å; N252-V255 WeakPolarHBondContact O-CB 3.37Å; N252-V255 PolarHBondContact O-N 3.25Å; N252-V255 VanDerWaalsContact O-N 3.09Å; V255-A259 VanDerWaalsContact O-CB 3.32Å; V255-A259 WeakPolarHBondContact O-CB 3.34Å; V255-A259 PolarHBondContact O-N 2.95Å |
| 256 | V | 90.7 | Very high | 88 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -46.2 | 178 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | H250 N252 S253 A259 V260 P287 L291 | H250-V256 HydrophobicContact CB-CG2 4.28Å; H250-V256 WeakPolarHBondContact O-CG2 3.27Å; N252-V256 PolarHBondContact O-N 3.4Å; S253-V256 PolarHBondContact O-N 3.04Å; V256-A259 PolarHBondContact O-N 2.7Å; V256-V260 WeakPolarHBondContact O-CG2 3.21Å; V256-V260 PolarHBondContact O-N 3.46Å; V256-P287 HydrophobicContact CG1-CB 4.13Å; V256-L291 HydrophobicContact CB-CD2 4.47Å; V256-L291 HydrophobicContact CG1-CD1 4.04Å; V256-L291 HydrophobicContact CG1-CG 4.45Å |
| 257 | L | 88.7 | Confident | 87.5 | Confident | 10 Ų | 10 | 21.8 Ų | 21.8 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 178.2 | -71.2 | 171.3 | 0 | 0 | 0 | 112.4 | S253 V260 K261 L291 V301 N305 | S253-L257 WeakPolarHBondContact O-CB 3.41Å; S253-L257 WeakPolarHBondContact O-CG 3.2Å; S253-L257 PolarHBondContact O-N 2.89Å; L257-V260 PolarHBondContact O-N 3.02Å; L257-K261 PolarHBondContact O-N 2.85Å; L257-L291 HydrophobicContact CD2-CD1 4.09Å; L257-L291 HydrophobicContact CG-CD1 4.35Å; L257-V301 HydrophobicContact CD1-CG1 3.99Å; L257-N305 HydrophobicContact CD2-CB 4.1Å |
| 258 | S | 88.6 | Confident | 87 | Confident | 8 Ų | 8 | 21.3 Ų | 21.3 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.3 | -37.1 | 175.2 | -52.4 | 0 | 0 | 0 | 0 | 111.8 | A254 K261 V262 | A254-S258 WeakPolarHBondContact O-CB 3.47Å; A254-S258 PolarHBondContact O-N 3.5Å; A254-S258 PolarHBondContact O-OG 3.24Å; S258-K261 WeakPolarHBondContact O-CB 3.46Å; S258-K261 PolarHBondContact O-N 3.21Å; S258-V262 WeakPolarHBondContact O-CG2 3.24Å; S258-V262 PolarHBondContact O-N 3.46Å; S258-V262 VanDerWaalsContact O-N 3.14Å |
| 259 | A | 91.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L223 V244 R247 L248 V255 V256 V262 L263 | L223-A259 HydrophobicContact CD1-CB 4.28Å; V244-A259 HydrophobicContact CG1-CB 3.82Å; R247-A259 HydrophobicContact CB-CB 3.95Å; L248-A259 HydrophobicContact CD2-CB 4.2Å; V255-A259 VanDerWaalsContact O-CB 3.32Å; V255-A259 WeakPolarHBondContact O-CB 3.34Å; V255-A259 PolarHBondContact O-N 2.95Å; V256-A259 PolarHBondContact O-N 2.7Å; A259-V262 PolarHBondContact O-N 2.87Å; A259-L263 WeakPolarHBondContact O-CB 3.47Å; A259-L263 VanDerWaalsContact O-CG 3.23Å; A259-L263 WeakPolarHBondContact O-CG 3.49Å; A259-L263 PolarHBondContact O-N 3.39Å |
| 260 | V | 89.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.4 | -40.1 | 174.9 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | L248 V256 L257 L263 M264 L284 L288 I309 | L248-V260 HydrophobicContact CD2-CG2 3.66Å; V256-V260 WeakPolarHBondContact O-CG2 3.21Å; V256-V260 PolarHBondContact O-N 3.46Å; L257-V260 PolarHBondContact O-N 3.02Å; V260-L263 PolarHBondContact O-N 2.93Å; V260-M264 HydrophobicContact CG1-CG 4.03Å; V260-M264 VanDerWaalsContact O-CB 3.29Å; V260-M264 WeakPolarHBondContact O-CB 3.27Å; V260-M264 WeakPolarHBondContact O-CG 3.48Å; V260-M264 PolarHBondContact O-N 3.31Å; V260-L284 HydrophobicContact CG1-CD2 4.45Å; V260-L284 HydrophobicContact CG2-CD1 4.34Å; V260-L284 HydrophobicContact CG2-CG 4.47Å; V260-L288 HydrophobicContact CG2-CD2 4.45Å; V260-I309 HydrophobicContact CG1-CD1 3.68Å |
| 261 | K | 89.7 | Confident | 85 | Confident | 13 Ų | 13 | 18.9 Ų | 18.9 | 6% | 0.057 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.9 | -54.3 | 172.4 | 179.4 | -161.2 | -63.8 | 176.8 | 0 | 111.5 | D224 A227 L257 S258 L263 M264 K265 C565 I567 | D224-K261 IonicContact OD1-NZ 2.73Å; D224-K261 PolarHBondContact OD1-NZ 3.07Å; A227-K261 HydrophobicContact CB-CD 3.56Å; A227-K261 HydrophobicContact CB-CG 4.19Å; L257-K261 PolarHBondContact O-N 2.85Å; S258-K261 WeakPolarHBondContact O-CB 3.46Å; S258-K261 PolarHBondContact O-N 3.21Å; K261-L263 PolarHBondContact O-N 3.37Å; K261-M264 PolarHBondContact O-N 3.16Å; K261-K265 PolarHBondContact O-N 3.2Å; K261-C565 WeakPolarHBondContact CD-O 3.41Å; K261-I567 HydrophobicContact CB-CB 4.04Å; K261-I567 HydrophobicContact CB-CG2 4.18Å; K261-I567 WeakPolarHBondContact CE-O 3.39Å; K261-I567 HydrophobicContact CG-CB 4.39Å; K261-I567 PolarHBondContact NZ-O 2.9Å |
| 262 | V | 88.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | -179.5 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | L223 L226 A227 V244 S258 A259 K265 F266 | L223-V262 HydrophobicContact CB-CG2 4.18Å; L223-V262 HydrophobicContact CD2-CG2 4.11Å; L223-V262 WeakPolarHBondContact O-CG2 3.29Å; L226-V262 HydrophobicContact CB-CG2 4.4Å; A227-V262 HydrophobicContact CB-CG2 3.96Å; V244-V262 HydrophobicContact CG2-CG1 4.24Å; S258-V262 WeakPolarHBondContact O-CG2 3.24Å; S258-V262 PolarHBondContact O-N 3.46Å; S258-V262 VanDerWaalsContact O-N 3.14Å; A259-V262 PolarHBondContact O-N 2.87Å; V262-K265 PolarHBondContact O-N 3.17Å; V262-F266 HydrophobicContact CG1-CD2 3.64Å; V262-F266 HydrophobicContact CG1-CE2 3.44Å; V262-F266 VanDerWaalsContact CG1-CE2 3.44Å; V262-F266 HydrophobicContact CG1-CZ 4.29Å; V262-F266 WeakPolarHBondContact O-CG 3.39Å; V262-F266 PolarHBondContact O-N 2.8Å |
| 263 | L | 88.3 | Confident | 83 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 179.1 | -67.3 | 174.1 | 0 | 0 | 0 | 111.7 | C241 V244 L248 A259 V260 K261 K265 F266 M267 L280 L284 | C241-L263 HydrophobicContact CB-CD2 3.76Å; C241-L263 VanDerWaalsContact SG-CD2 3.6Å; V244-L263 HydrophobicContact CB-CD2 4.21Å; V244-L263 HydrophobicContact CG1-CD1 4.27Å; V244-L263 HydrophobicContact CG1-CD2 4.11Å; V244-L263 HydrophobicContact CG1-CG 3.95Å; L248-L263 HydrophobicContact CD1-CD1 3.78Å; L248-L263 HydrophobicContact CD2-CD1 3.98Å; L248-L263 HydrophobicContact CG-CD1 4.02Å; A259-L263 WeakPolarHBondContact O-CB 3.47Å; A259-L263 VanDerWaalsContact O-CG 3.23Å; A259-L263 WeakPolarHBondContact O-CG 3.49Å; A259-L263 PolarHBondContact O-N 3.39Å; V260-L263 PolarHBondContact O-N 2.93Å; K261-L263 PolarHBondContact O-N 3.37Å; L263-K265 VanDerWaalsContact C-N 3.33Å; L263-K265 PolarHBondContact O-N 3.49Å; L263-F266 PolarHBondContact O-N 3.38Å; L263-M267 VanDerWaalsContact O-CB 3.26Å; L263-M267 WeakPolarHBondContact O-CB 3.4Å; L263-M267 WeakPolarHBondContact O-CG 3.46Å; L263-M267 PolarHBondContact O-N 2.97Å; L263-L280 HydrophobicContact CB-CD2 4.4Å; L263-L280 HydrophobicContact CD1-CD2 4.33Å; L263-L280 HydrophobicContact CD2-CD1 4.11Å; L263-L284 HydrophobicContact CB-CD1 4.5Å; L263-L284 HydrophobicContact CD1-CD1 3.91Å |
| 264 | M | 85.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.3 | -41.6 | 177.6 | -74.9 | -69.4 | -68.7 | 0 | 0 | 111.9 | V260 K261 E268 L284 I309 R312 R313 I316 I564 I567 | V260-M264 HydrophobicContact CG1-CG 4.03Å; V260-M264 VanDerWaalsContact O-CB 3.29Å; V260-M264 WeakPolarHBondContact O-CB 3.27Å; V260-M264 WeakPolarHBondContact O-CG 3.48Å; V260-M264 PolarHBondContact O-N 3.31Å; K261-M264 PolarHBondContact O-N 3.16Å; M264-E268 VanDerWaalsContact O-CG 3.24Å; M264-E268 WeakPolarHBondContact O-CG 3.27Å; M264-L284 HydrophobicContact SD-CD2 4.19Å; M264-I309 HydrophobicContact CE-CG1 4.5Å; M264-I309 HydrophobicContact CE-CG2 4.33Å; M264-I309 HydrophobicContact SD-CG2 4.4Å; M264-R312 HydrophobicContact CE-CB 4.38Å; M264-R312 HydrophobicContact CE-CG 4.39Å; M264-R313 HydrophobicContact CE-CG 4.17Å; M264-I316 HydrophobicContact SD-CD1 4.41Å; M264-I564 HydrophobicContact CB-CG2 4.17Å; M264-I567 HydrophobicContact CG-CD1 4.49Å |
| 265 | K | 84.4 | Confident | 81.9 | Confident | 15 Ų | 15 | 34.4 Ų | 34.4 | 7% | 0.065 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.6 | -52.2 | 174 | -175.3 | -176.9 | -172.9 | -170.7 | 0 | 111.8 | A227 N228 Y229 K261 V262 L263 M267 E268 L593 | A227-K265 VanDerWaalsContact O-CD 3.29Å; A227-K265 WeakPolarHBondContact O-CD 3.39Å; A227-K265 PolarHBondContact O-NZ 2.66Å; N228-K265 PolarHBondContact O-NZ 2.93Å; Y229-K265 PolarHBondContact O-NZ 2.85Å; K261-K265 PolarHBondContact O-N 3.2Å; V262-K265 PolarHBondContact O-N 3.17Å; L263-K265 VanDerWaalsContact C-N 3.33Å; L263-K265 PolarHBondContact O-N 3.49Å; K265-M267 PolarHBondContact O-N 3.28Å; K265-E268 WeakPolarHBondContact O-CB 3.37Å; K265-E268 PolarHBondContact O-N 2.6Å; K265-E268 VanDerWaalsContact O-N 3.15Å; K265-L593 HydrophobicContact CB-CD2 4.22Å; K265-L593 HydrophobicContact CG-CD2 3.93Å |
| 266 | F | 83.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -74.3 | -26.5 | -173.4 | -66.4 | -17.8 | 0 | 0 | 0 | 113.5 | L226 P231 S237 I240 V262 L263 E268 M269 L270 | L226-F266 VanDerWaalsContact O-CZ 3.29Å; L226-F266 WeakPolarHBondContact O-CZ 3.29Å; P231-F266 HydrophobicContact CG-CD1 3.9Å; P231-F266 HydrophobicContact CG-CE1 3.67Å; P231-F266 HydrophobicContact CG-CE2 4.45Å; P231-F266 HydrophobicContact CG-CG 4.4Å; P231-F266 HydrophobicContact CG-CZ 3.97Å; S237-F266 PolarHBondContact OG-O 3.27Å; I240-F266 HydrophobicContact CB-CD2 4.31Å; I240-F266 HydrophobicContact CB-CE2 4.22Å; I240-F266 HydrophobicContact CD1-CE2 4.1Å; I240-F266 HydrophobicContact CG2-CD2 3.98Å; I240-F266 HydrophobicContact CG2-CE2 3.62Å; V262-F266 HydrophobicContact CG1-CD2 3.64Å; V262-F266 HydrophobicContact CG1-CE2 3.44Å; V262-F266 VanDerWaalsContact CG1-CE2 3.44Å; V262-F266 HydrophobicContact CG1-CZ 4.29Å; V262-F266 WeakPolarHBondContact O-CG 3.39Å; V262-F266 PolarHBondContact O-N 2.8Å; L263-F266 PolarHBondContact O-N 3.38Å; F266-E268 PolarHBondContact O-N 3.32Å; F266-M269 PolarHBondContact O-N 3.37Å; F266-L270 PolarHBondContact O-N 3.1Å |
| 267 | M | 79.6 | Confident | 80.9 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -2.4 | 168.4 | -70.7 | -177 | 93.4 | 0 | 0 | 114.4 | L263 K265 Y277 L280 L281 R313 | L263-M267 VanDerWaalsContact O-CB 3.26Å; L263-M267 WeakPolarHBondContact O-CB 3.4Å; L263-M267 WeakPolarHBondContact O-CG 3.46Å; L263-M267 PolarHBondContact O-N 2.97Å; K265-M267 PolarHBondContact O-N 3.28Å; M267-Y277 HydrophobicContact CB-CE2 4.28Å; M267-Y277 HydrophobicContact CE-CD2 3.82Å; M267-Y277 HydrophobicContact CE-CE2 3.85Å; M267-Y277 HydrophobicContact CE-CG 4.3Å; M267-Y277 WeakPolarHBondContact O-CE2 3.41Å; M267-L280 HydrophobicContact CE-CB 4.18Å; M267-L280 HydrophobicContact CE-CD2 3.82Å; M267-L280 HydrophobicContact CG-CD2 4.05Å; M267-L280 HydrophobicContact SD-CD2 3.41Å; M267-L280 WeakPolarHBondContact SD-CD2 3.5Å; M267-L281 HydrophobicContact CE-CD2 3.64Å; M267-L281 HydrophobicContact CE-CG 3.82Å; M267-R313 VanDerWaalsContact CB-NH1 3.31Å; M267-R313 PolarHBondContact O-NH2 2.95Å |
| 268 | E | 77.8 | Confident | 80.5 | Confident | 31 Ų | 31 | 38.1 Ų | 38.1 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -24.6 | 171.5 | -54.9 | -104.2 | 126.2 | 0 | 0 | 110.9 | M264 K265 F266 R312 R313 L593 | M264-E268 VanDerWaalsContact O-CG 3.24Å; M264-E268 WeakPolarHBondContact O-CG 3.27Å; K265-E268 WeakPolarHBondContact O-CB 3.37Å; K265-E268 PolarHBondContact O-N 2.6Å; K265-E268 VanDerWaalsContact O-N 3.15Å; F266-E268 PolarHBondContact O-N 3.32Å; E268-R312 IonicContact OE1-CZ 2.95Å; E268-R312 IonicContact OE1-NE 2.72Å; E268-R312 PolarHBondContact OE1-NE 3.06Å; E268-R312 VanDerWaalsContact OE1-NE 3.16Å; E268-R312 IonicContact OE1-NH2 3.22Å; E268-R312 IonicContact OE2-CZ 2.68Å; E268-R312 IonicContact OE2-NE 3.71Å; E268-R312 IonicContact OE2-NH2 2.69Å; E268-R312 PolarHBondContact OE2-NH2 3.17Å; E268-R313 IonicContact OE1-CZ 3.16Å; E268-R313 IonicContact OE1-NE 2.73Å; E268-R313 IonicContact OE1-NH2 2.73Å; E268-R313 PolarHBondContact OE1-NH2 3.19Å; E268-L593 HydrophobicContact CG-CD1 4.41Å; E268-L593 HydrophobicContact CG-CD2 4.39Å; E268-L593 WeakPolarHBondContact OE2-CD1 3.27Å |
| 269 | M | 73.5 | Confident | 80.3 | Confident | 48 Ų | 48 | 40.7 Ų | 40.7 | 24% | 0.236 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -18.9 | 176.7 | -57.3 | -179.4 | 70 | 0 | 0 | 113 | P231 F266 P594 | P231-M269 VanDerWaalsContact O-CE 3.31Å; P231-M269 WeakPolarHBondContact O-CE 3.46Å; F266-M269 PolarHBondContact O-N 3.37Å; M269-P594 HydrophobicContact CG-CB 4.48Å; M269-P594 HydrophobicContact CG-CG 3.66Å; M269-P594 HydrophobicContact SD-CB 4.37Å; M269-P594 HydrophobicContact SD-CG 3.62Å |
| 270 | L | 75.3 | Confident | 80 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -78.2 | 135.4 | 179 | -69 | 175.5 | 0 | 0 | 0 | 111.7 | D234 Q238 F266 K272 Y276 | D234-L270 WeakPolarHBondContact O-CD2 3.48Å; Q238-L270 HydrophobicContact CB-CD2 4.14Å; F266-L270 PolarHBondContact O-N 3.1Å; L270-K272 PolarHBondContact O-N 3.33Å; L270-Y276 HydrophobicContact CD1-CD1 4.37Å; L270-Y276 HydrophobicContact CD1-CE1 4.47Å |
| 271 | P | 71.6 | Confident | 79.6 | Confident | 53 Ų | 53 | 41.8 Ų | 41.8 | 34% | 0.344 | 22% | 0.219 | S | C | . | . | trans | -63.1 | 134.7 | 175.5 | 23.6 | -31.8 | 0 | 0 | 0 | 111.3 | D273 L274 | P271-D273 PolarHBondContact O-N 3.16Å; P271-L274 HydrophobicContact CG-CB 4.39Å; P271-L274 VanDerWaalsContact O-CB 3.28Å; P271-L274 WeakPolarHBondContact O-CB 3.48Å; P271-L274 PolarHBondContact O-N 3.5Å | ||
| 272 | K | 68.5 | Low | 79.4 | Confident | 166 Ų | 166 | 49 Ų | 49 | 72% | 0.722 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27.7 | -172.8 | -64.9 | 174.9 | -176.9 | 171.8 | 0 | 113.3 | L270 L274 | L270-K272 PolarHBondContact O-N 3.33Å; K272-L274 PolarHBondContact O-N 3.06Å |
| 273 | D | 64.1 | Low | 79.3 | Confident | 161 Ų | 161 | 53.6 Ų | 53.6 | 86% | 0.861 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -2.6 | -178.8 | -51.4 | -57.1 | 0 | 0 | 0 | 113.7 | P271 D275 | P271-D273 PolarHBondContact O-N 3.16Å; D273-D275 PolarHBondContact O-N 3.14Å |
| 274 | L | 74.3 | Confident | 79.1 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | trans | -77.8 | 121.5 | -178.8 | -158.7 | 70.6 | 0 | 0 | 0 | 110.4 | P271 K272 Y276 Y277 | P271-L274 HydrophobicContact CG-CB 4.39Å; P271-L274 VanDerWaalsContact O-CB 3.28Å; P271-L274 WeakPolarHBondContact O-CB 3.48Å; P271-L274 PolarHBondContact O-N 3.5Å; K272-L274 PolarHBondContact O-N 3.06Å; L274-Y276 PolarHBondContact O-N 3.33Å; L274-Y277 VanDerWaalsContact O-CB 3.27Å; L274-Y277 WeakPolarHBondContact O-CB 3.45Å; L274-Y277 PolarHBondContact O-N 3.12Å | ||
| 275 | D | 77.2 | Confident | 79.1 | Confident | 147 Ų | 147 | 54 Ų | 54 | 79% | 0.786 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -50.7 | -29.6 | 176.9 | -76.8 | -52.7 | 0 | 0 | 0 | 113.4 | D273 T279 | D273-D275 PolarHBondContact O-N 3.14Å; D275-T279 WeakPolarHBondContact O-CB 3.42Å; D275-T279 PolarHBondContact O-N 2.86Å; D275-T279 PolarHBondContact O-OG1 3.42Å |
| 276 | Y | 80 | Confident | 79.3 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 13% | 0.129 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 174.3 | -174.4 | -90.8 | 0 | 0 | 0 | 113.1 | Q238 C241 E242 L270 L274 T279 L280 | Q238-Y276 HydrophobicContact CG-CD1 4.07Å; Q238-Y276 HydrophobicContact CG-CD2 4.42Å; Q238-Y276 HydrophobicContact CG-CE1 4.1Å; Q238-Y276 HydrophobicContact CG-CE2 4.43Å; Q238-Y276 HydrophobicContact CG-CG 4.25Å; C241-Y276 HydrophobicContact CB-CE1 4.05Å; E242-Y276 WeakPolarHBondContact CA-OH 3.25Å; E242-Y276 HydrophobicContact CG-CE2 3.51Å; E242-Y276 WeakPolarHBondContact CG-OH 3.28Å; E242-Y276 PolarHBondContact N-OH 3.11Å; E242-Y276 VanDerWaalsContact N-OH 3.16Å; L270-Y276 HydrophobicContact CD1-CD1 4.37Å; L270-Y276 HydrophobicContact CD1-CE1 4.47Å; L274-Y276 PolarHBondContact O-N 3.33Å; Y276-T279 CarbonylContact O-C 3.57Å; Y276-T279 WeakPolarHBondContact O-CB 3.24Å; Y276-T279 PolarHBondContact O-N 3.07Å; Y276-L280 HydrophobicContact CE1-CB 4.4Å; Y276-L280 HydrophobicContact CE1-CD1 3.55Å; Y276-L280 WeakPolarHBondContact O-CB 3.31Å; Y276-L280 PolarHBondContact O-N 2.92Å |
| 277 | Y | 80.1 | Confident | 79.4 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 12% | 0.118 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -50.6 | 177.2 | 178 | -89.2 | 0 | 0 | 0 | 110.8 | M267 L274 T279 L280 L281 R313 | M267-Y277 HydrophobicContact CB-CE2 4.28Å; M267-Y277 HydrophobicContact CE-CD2 3.82Å; M267-Y277 HydrophobicContact CE-CE2 3.85Å; M267-Y277 HydrophobicContact CE-CG 4.3Å; M267-Y277 WeakPolarHBondContact O-CE2 3.41Å; L274-Y277 VanDerWaalsContact O-CB 3.27Å; L274-Y277 WeakPolarHBondContact O-CB 3.45Å; L274-Y277 PolarHBondContact O-N 3.12Å; Y277-T279 VanDerWaalsContact C-N 3.27Å; Y277-T279 PolarHBondContact O-N 3.38Å; Y277-L280 PolarHBondContact O-N 3.36Å; Y277-L280 VanDerWaalsContact O-N 3.1Å; Y277-L281 HydrophobicContact CD1-CD1 4Å; Y277-L281 HydrophobicContact CD1-CG 4.43Å; Y277-L281 HydrophobicContact CE1-CD1 3.62Å; Y277-L281 HydrophobicContact CE1-CG 4.2Å; Y277-L281 PolarHBondContact O-N 3.35Å; Y277-R313 PolarHBondContact OH-NH1 2.8Å; Y277-R313 VanDerWaalsContact OH-NH1 3.08Å |
| 278 | G | 80.4 | Confident | 79.7 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.9 | -30 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | K282 | G278-K282 WeakPolarHBondContact O-CG 3.47Å; G278-K282 PolarHBondContact O-N 3.15Å |
| 279 | T | 84.6 | Confident | 80.2 | Confident | 61 Ų | 61 | 57.3 Ų | 57.3 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 171.8 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | D275 Y276 Y277 K282 K283 | D275-T279 WeakPolarHBondContact O-CB 3.42Å; D275-T279 PolarHBondContact O-N 2.86Å; D275-T279 PolarHBondContact O-OG1 3.42Å; Y276-T279 CarbonylContact O-C 3.57Å; Y276-T279 WeakPolarHBondContact O-CB 3.24Å; Y276-T279 PolarHBondContact O-N 3.07Å; Y277-T279 VanDerWaalsContact C-N 3.27Å; Y277-T279 PolarHBondContact O-N 3.38Å; T279-K282 PolarHBondContact O-N 2.87Å; T279-K283 HydrophobicContact CG2-CD 4.37Å; T279-K283 WeakPolarHBondContact O-CG 3.35Å; T279-K283 PolarHBondContact O-N 2.92Å; T279-K283 VanDerWaalsContact O-N 3.16Å |
| 280 | L | 83.6 | Confident | 80.8 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.1 | -37.2 | -177.9 | -158.5 | 147.4 | 0 | 0 | 0 | 112 | C241 L263 M267 Y276 Y277 K282 K283 L284 | C241-L280 HydrophobicContact CB-CD1 3.95Å; L263-L280 HydrophobicContact CB-CD2 4.4Å; L263-L280 HydrophobicContact CD1-CD2 4.33Å; L263-L280 HydrophobicContact CD2-CD1 4.11Å; M267-L280 HydrophobicContact CE-CB 4.18Å; M267-L280 HydrophobicContact CE-CD2 3.82Å; M267-L280 HydrophobicContact CG-CD2 4.05Å; M267-L280 HydrophobicContact SD-CD2 3.41Å; M267-L280 WeakPolarHBondContact SD-CD2 3.5Å; Y276-L280 HydrophobicContact CE1-CB 4.4Å; Y276-L280 HydrophobicContact CE1-CD1 3.55Å; Y276-L280 WeakPolarHBondContact O-CB 3.31Å; Y276-L280 PolarHBondContact O-N 2.92Å; Y277-L280 PolarHBondContact O-N 3.36Å; Y277-L280 VanDerWaalsContact O-N 3.1Å; L280-K282 VanDerWaalsContact C-N 3.3Å; L280-K282 PolarHBondContact O-N 2.84Å; L280-K283 CarbonylContact O-C 3.53Å; L280-K283 PolarHBondContact O-N 3.18Å; L280-L284 HydrophobicContact CD2-CD1 4.07Å; L280-L284 PolarHBondContact O-N 2.85Å |
| 281 | L | 82.3 | Confident | 81.4 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -52.7 | -48 | 169 | -68.6 | 174.2 | 0 | 0 | 0 | 111.4 | M267 Y277 K283 L284 I316 | M267-L281 HydrophobicContact CE-CD2 3.64Å; M267-L281 HydrophobicContact CE-CG 3.82Å; Y277-L281 HydrophobicContact CD1-CD1 4Å; Y277-L281 HydrophobicContact CD1-CG 4.43Å; Y277-L281 HydrophobicContact CE1-CD1 3.62Å; Y277-L281 HydrophobicContact CE1-CG 4.2Å; Y277-L281 PolarHBondContact O-N 3.35Å; L281-K283 VanDerWaalsContact C-N 3.3Å; L281-K283 PolarHBondContact O-N 3.33Å; L281-L284 PolarHBondContact O-N 3.25Å; L281-L284 VanDerWaalsContact O-N 3.16Å; L281-I316 HydrophobicContact CD2-CD1 4.04Å; L281-I316 HydrophobicContact CD2-CG1 3.62Å |
| 282 | K | 84.5 | Confident | 82 | Confident | 164 Ų | 164 | 57.4 Ų | 57.4 | 71% | 0.713 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.6 | -30.1 | 177.7 | -69.2 | 170.5 | -175.4 | 171.7 | 0 | 113.3 | G278 T279 L280 P286 | G278-K282 WeakPolarHBondContact O-CG 3.47Å; G278-K282 PolarHBondContact O-N 3.15Å; T279-K282 PolarHBondContact O-N 2.87Å; L280-K282 VanDerWaalsContact C-N 3.3Å; L280-K282 PolarHBondContact O-N 2.84Å; K282-P286 WeakPolarHBondContact O-CD 3.4Å |
| 283 | K | 86 | Confident | 82.9 | Confident | 98 Ų | 98 | 54 Ų | 54 | 43% | 0.426 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -78.9 | -20.7 | 175 | -73 | 175.8 | -179.9 | 176.6 | 0 | 113.4 | T245 T279 L280 L281 P287 | T245-K283 HydrophobicContact CG2-CD 3.97Å; T279-K283 HydrophobicContact CG2-CD 4.37Å; T279-K283 WeakPolarHBondContact O-CG 3.35Å; T279-K283 PolarHBondContact O-N 2.92Å; T279-K283 VanDerWaalsContact O-N 3.16Å; L280-K283 CarbonylContact O-C 3.53Å; L280-K283 PolarHBondContact O-N 3.18Å; L281-K283 VanDerWaalsContact C-N 3.3Å; L281-K283 PolarHBondContact O-N 3.33Å; K283-P287 WeakPolarHBondContact O-CD 3.33Å; K283-P287 WeakPolarHBondContact O-CG 3.38Å |
| 284 | L | 85.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -79.4 | -28.5 | -178.7 | -138.6 | 76.8 | 0 | 0 | 0 | 113 | L248 V260 L263 M264 L280 L281 P287 L288 I316 | L248-L284 HydrophobicContact CD1-CD1 3.95Å; L248-L284 HydrophobicContact CD2-CD1 4.1Å; V260-L284 HydrophobicContact CG1-CD2 4.45Å; V260-L284 HydrophobicContact CG2-CD1 4.34Å; V260-L284 HydrophobicContact CG2-CG 4.47Å; L263-L284 HydrophobicContact CB-CD1 4.5Å; L263-L284 HydrophobicContact CD1-CD1 3.91Å; M264-L284 HydrophobicContact SD-CD2 4.19Å; L280-L284 HydrophobicContact CD2-CD1 4.07Å; L280-L284 PolarHBondContact O-N 2.85Å; L281-L284 PolarHBondContact O-N 3.25Å; L281-L284 VanDerWaalsContact O-N 3.16Å; L284-P287 WeakPolarHBondContact O-CD 3.33Å; L284-L288 WeakPolarHBondContact O-CG 3.31Å; L284-I316 HydrophobicContact CB-CG2 4.15Å; L284-I316 HydrophobicContact CD2-CD1 4.05Å |
| 285 | A | 85.6 | Confident | 84.6 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67 | -49.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L288 V289 I316 L317 | A285-L288 PolarHBondContact O-N 2.86Å; A285-L288 VanDerWaalsContact O-N 3.15Å; A285-V289 WeakPolarHBondContact O-CG2 3.38Å; A285-V289 PolarHBondContact O-N 3.08Å; A285-I316 HydrophobicContact CB-CG2 4.17Å; A285-I316 WeakPolarHBondContact CB-O 3.31Å; A285-L317 HydrophobicContact CB-CD2 4.34Å |
| 286 | P | 87.4 | Confident | 85.2 | Confident | 73 Ų | 73 | 46.7 Ų | 46.7 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | -178.5 | -20.2 | 31.8 | 0 | 0 | 0 | 114.5 | K282 L288 V289 T290 | K282-P286 WeakPolarHBondContact O-CD 3.4Å; P286-L288 PolarHBondContact O-N 2.98Å; P286-V289 PolarHBondContact O-N 3.39Å; P286-T290 PolarHBondContact O-N 3.17Å; P286-T290 PolarHBondContact O-OG1 2.87Å |
| 287 | P | 86.7 | Confident | 85.7 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53 | -48.4 | 170.5 | -28.8 | 35.2 | 0 | 0 | 0 | 113.3 | L248 V256 K283 L284 V289 T290 L291 | L248-P287 HydrophobicContact CB-CB 4.24Å; L248-P287 HydrophobicContact CB-CG 3.7Å; L248-P287 HydrophobicContact CD1-CG 4.4Å; L248-P287 HydrophobicContact CD2-CG 4.49Å; L248-P287 HydrophobicContact CG-CG 4.43Å; V256-P287 HydrophobicContact CG1-CB 4.13Å; K283-P287 WeakPolarHBondContact O-CD 3.33Å; K283-P287 WeakPolarHBondContact O-CG 3.38Å; L284-P287 WeakPolarHBondContact O-CD 3.33Å; P287-V289 VanDerWaalsContact C-N 3.31Å; P287-V289 PolarHBondContact O-N 2.94Å; P287-T290 WeakPolarHBondContact CA-OG1 3.25Å; P287-T290 PolarHBondContact O-N 3.01Å; P287-T290 VanDerWaalsContact O-N 3.12Å; P287-T290 PolarHBondContact O-OG1 3.48Å; P287-L291 WeakPolarHBondContact O-CG 3.39Å; P287-L291 PolarHBondContact O-N 3.01Å; P287-L291 VanDerWaalsContact O-N 3.07Å |
| 288 | L | 86.1 | Confident | 86.2 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 178.9 | -63.4 | 174.5 | 0 | 0 | 0 | 111.5 | V260 L284 A285 P286 L291 L292 I306 I309 I316 L317 | V260-L288 HydrophobicContact CG2-CD2 4.45Å; L284-L288 WeakPolarHBondContact O-CG 3.31Å; A285-L288 PolarHBondContact O-N 2.86Å; A285-L288 VanDerWaalsContact O-N 3.15Å; P286-L288 PolarHBondContact O-N 2.98Å; L288-L291 HydrophobicContact CD2-CD1 4.45Å; L288-L291 PolarHBondContact O-N 3.27Å; L288-L292 WeakPolarHBondContact O-CD1 3.34Å; L288-L292 PolarHBondContact O-N 2.76Å; L288-I306 HydrophobicContact CB-CD1 3.95Å; L288-I306 HydrophobicContact CB-CG1 4.27Å; L288-I306 HydrophobicContact CD1-CG1 4.41Å; L288-I306 HydrophobicContact CD2-CD1 4.25Å; L288-I306 HydrophobicContact CD2-CG1 3.9Å; L288-I306 HydrophobicContact CG-CG1 4.41Å; L288-I309 HydrophobicContact CD1-CD1 4.4Å; L288-I309 HydrophobicContact CD1-CG2 4.44Å; L288-I309 HydrophobicContact CD2-CD1 4.12Å; L288-I316 HydrophobicContact CD1-CG2 4.31Å; L288-L317 HydrophobicContact CB-CD2 4.46Å; L288-L317 HydrophobicContact CD1-CD1 4.17Å |
| 289 | V | 86.3 | Confident | 86.7 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 173 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | A285 P286 P287 L291 L292 L317 E320 V323 | A285-V289 WeakPolarHBondContact O-CG2 3.38Å; A285-V289 PolarHBondContact O-N 3.08Å; P286-V289 PolarHBondContact O-N 3.39Å; P287-V289 VanDerWaalsContact C-N 3.31Å; P287-V289 PolarHBondContact O-N 2.94Å; V289-L291 VanDerWaalsContact C-N 3.32Å; V289-L291 PolarHBondContact O-N 2.75Å; V289-L292 WeakPolarHBondContact O-CB 3.48Å; V289-L292 PolarHBondContact O-N 3.46Å; V289-L317 HydrophobicContact CG2-CD2 4.5Å; V289-E320 HydrophobicContact CG2-CB 4.13Å; V289-E320 HydrophobicContact CG2-CG 3.98Å; V289-V323 HydrophobicContact CG1-CB 4.45Å; V289-V323 HydrophobicContact CG1-CG1 3.75Å; V289-V323 HydrophobicContact CG2-CG1 4.06Å; V289-V323 HydrophobicContact CG2-CG2 4.24Å |
| 290 | T | 87.5 | Confident | 87 | Confident | 91 Ų | 91 | 52.1 Ų | 52.1 | 56% | 0.558 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66.7 | -32 | 176.7 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | P286 P287 L292 S293 | P286-T290 PolarHBondContact O-N 3.17Å; P286-T290 PolarHBondContact O-OG1 2.87Å; P287-T290 WeakPolarHBondContact CA-OG1 3.25Å; P287-T290 PolarHBondContact O-N 3.01Å; P287-T290 VanDerWaalsContact O-N 3.12Å; P287-T290 PolarHBondContact O-OG1 3.48Å; T290-L292 VanDerWaalsContact C-N 3.31Å; T290-L292 PolarHBondContact O-N 2.96Å; T290-S293 WeakPolarHBondContact O-CB 3.45Å; T290-S293 PolarHBondContact O-N 3.44Å |
| 291 | L | 86.4 | Confident | 87.4 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -32.3 | 173.9 | -65.4 | 176.1 | 0 | 0 | 0 | 112.6 | S253 V256 L257 P287 L288 V289 S293 A294 A302 | S253-L291 WeakPolarHBondContact OG-CD2 3.39Å; V256-L291 HydrophobicContact CB-CD2 4.47Å; V256-L291 HydrophobicContact CG1-CD1 4.04Å; V256-L291 HydrophobicContact CG1-CG 4.45Å; L257-L291 HydrophobicContact CD2-CD1 4.09Å; L257-L291 HydrophobicContact CG-CD1 4.35Å; P287-L291 WeakPolarHBondContact O-CG 3.39Å; P287-L291 PolarHBondContact O-N 3.01Å; P287-L291 VanDerWaalsContact O-N 3.07Å; L288-L291 HydrophobicContact CD2-CD1 4.45Å; L288-L291 PolarHBondContact O-N 3.27Å; V289-L291 VanDerWaalsContact C-N 3.32Å; V289-L291 PolarHBondContact O-N 2.75Å; L291-S293 PolarHBondContact O-N 2.99Å; L291-A294 WeakPolarHBondContact O-CB 3.4Å; L291-A294 PolarHBondContact O-N 3.37Å; L291-A302 HydrophobicContact CB-CB 3.64Å; L291-A302 HydrophobicContact CD1-CB 4.34Å |
| 292 | L | 85.9 | Confident | 87.8 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -6.6 | 171 | -92.2 | 78.6 | 0 | 0 | 0 | 114 | L288 V289 T290 L303 I306 V323 F324 | L288-L292 WeakPolarHBondContact O-CD1 3.34Å; L288-L292 PolarHBondContact O-N 2.76Å; V289-L292 WeakPolarHBondContact O-CB 3.48Å; V289-L292 PolarHBondContact O-N 3.46Å; T290-L292 VanDerWaalsContact C-N 3.31Å; T290-L292 PolarHBondContact O-N 2.96Å; L292-L303 HydrophobicContact CD1-CD2 4.2Å; L292-L303 HydrophobicContact CD2-CD2 4Å; L292-L303 HydrophobicContact CG-CD2 4.13Å; L292-L303 HydrophobicContact CG-CG 4.47Å; L292-I306 HydrophobicContact CD1-CD1 3.33Å; L292-V323 HydrophobicContact CD2-CB 4.35Å; L292-V323 HydrophobicContact CD2-CG2 3.88Å; L292-F324 HydrophobicContact CD1-CE1 4.28Å; L292-F324 HydrophobicContact CD2-CD1 3.79Å; L292-F324 HydrophobicContact CD2-CE1 3.67Å; L292-F324 HydrophobicContact CD2-CZ 4.42Å |
| 293 | S | 85.8 | Confident | 88.2 | Confident | 96 Ų | 96 | 45.6 Ų | 45.6 | 67% | 0.671 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 4.6 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 113.4 | T290 L291 | T290-S293 WeakPolarHBondContact O-CB 3.45Å; T290-S293 PolarHBondContact O-N 3.44Å; L291-S293 PolarHBondContact O-N 2.99Å |
| 294 | A | 86.8 | Confident | 88.4 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 26% | 0.256 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -82.4 | -169.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L291 L298 Q299 | L291-A294 WeakPolarHBondContact O-CB 3.4Å; L291-A294 PolarHBondContact O-N 3.37Å; A294-L298 HydrophobicContact CB-CB 3.74Å; A294-L298 HydrophobicContact CB-CD1 4.05Å; A294-Q299 WeakPolarHBondContact O-CG 3.36Å; A294-Q299 PolarHBondContact O-NE2 3.31Å |
| 295 | E | 89.1 | Confident | 88.7 | Confident | 128 Ų | 128 | 42.5 Ų | 42.5 | 60% | 0.598 | 24% | 0.238 | S | C | * | . | trans | -65.6 | 150.6 | 174.2 | -63.6 | 172.9 | 132.1 | 0 | 0 | 111.4 | E297 L298 Q299 | E295-E297 VanDerWaalsContact C-N 3.28Å; E295-E297 PolarHBondContact O-N 2.99Å; E295-E297 VanDerWaalsContact O-N 3.13Å; E295-L298 CarbonylContact O-C 3.57Å; E295-L298 WeakPolarHBondContact O-CA 3.37Å; E295-L298 WeakPolarHBondContact O-CB 3.46Å; E295-L298 PolarHBondContact O-N 3.27Å; E295-Q299 PolarHBondContact O-N 2.72Å | ||
| 296 | P | 89.3 | Confident | 88.9 | Confident | 53 Ų | 53 | 42.1 Ų | 42.1 | 34% | 0.344 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.1 | -32.7 | -168.1 | -26.8 | 35.5 | 0 | 0 | 0 | 115.8 | Q299 Y300 P331 | P296-Q299 PolarHBondContact O-N 2.94Å; P296-Y300 WeakPolarHBondContact O-CB 3.41Å; P296-Y300 PolarHBondContact O-N 3.31Å; P296-P331 HydrophobicContact CB-CG 3.99Å |
| 297 | E | 90.1 | Very high | 89 | Confident | 113 Ų | 113 | 38.8 Ų | 38.8 | 53% | 0.528 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.8 | -39.8 | 173 | 54.6 | -92.3 | -116.8 | 0 | 0 | 112.3 | E295 Y300 V301 | E295-E297 VanDerWaalsContact C-N 3.28Å; E295-E297 PolarHBondContact O-N 2.99Å; E295-E297 VanDerWaalsContact O-N 3.13Å; E297-Y300 PolarHBondContact O-N 2.95Å; E297-V301 WeakPolarHBondContact O-CG2 3.44Å; E297-V301 PolarHBondContact O-N 3.17Å |
| 298 | L | 90 | Very high | 89 | Confident | 64 Ų | 64 | 38.2 Ų | 38.2 | 34% | 0.335 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -72.9 | -36.8 | 175 | -63.6 | 176.3 | 0 | 0 | 0 | 111 | A294 E295 V301 A302 | A294-L298 HydrophobicContact CB-CB 3.74Å; A294-L298 HydrophobicContact CB-CD1 4.05Å; E295-L298 CarbonylContact O-C 3.57Å; E295-L298 WeakPolarHBondContact O-CA 3.37Å; E295-L298 WeakPolarHBondContact O-CB 3.46Å; E295-L298 PolarHBondContact O-N 3.27Å; L298-V301 PolarHBondContact O-N 3.24Å; L298-A302 VanDerWaalsContact O-CB 3.24Å; L298-A302 WeakPolarHBondContact O-CB 3.25Å; L298-A302 PolarHBondContact O-N 2.91Å |
| 299 | Q | 90.5 | Very high | 89.1 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -45.5 | 170.8 | -64.5 | -177.3 | 27.6 | 0 | 0 | 111 | A294 E295 P296 A302 L303 V334 | A294-Q299 WeakPolarHBondContact O-CG 3.36Å; A294-Q299 PolarHBondContact O-NE2 3.31Å; E295-Q299 PolarHBondContact O-N 2.72Å; P296-Q299 PolarHBondContact O-N 2.94Å; Q299-A302 PolarHBondContact O-N 3.02Å; Q299-L303 WeakPolarHBondContact O-CB 3.5Å; Q299-L303 WeakPolarHBondContact O-CD1 3.46Å; Q299-L303 WeakPolarHBondContact O-CG 3.46Å; Q299-L303 PolarHBondContact O-N 3.41Å; Q299-V334 HydrophobicContact CB-CG2 4.38Å |
| 300 | Y | 92 | Very high | 89.2 | Confident | 69 Ų | 69 | 37 Ų | 37 | 27% | 0.271 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.8 | -49.5 | 178 | -179.6 | -107.4 | 0 | 0 | 0 | 111.6 | P296 E297 A302 L303 R304 Y333 E337 V573 | P296-Y300 WeakPolarHBondContact O-CB 3.41Å; P296-Y300 PolarHBondContact O-N 3.31Å; E297-Y300 PolarHBondContact O-N 2.95Å; Y300-A302 VanDerWaalsContact C-N 3.28Å; Y300-A302 PolarHBondContact O-N 3.31Å; Y300-L303 PolarHBondContact O-N 3.2Å; Y300-R304 HydrophobicContact CD1-CG 4.25Å; Y300-R304 HydrophobicContact CD2-CG 4.24Å; Y300-R304 HydrophobicContact CE1-CG 3.86Å; Y300-R304 HydrophobicContact CE2-CG 3.87Å; Y300-R304 HydrophobicContact CG-CG 4.42Å; Y300-R304 VanDerWaalsContact O-CG 3.28Å; Y300-R304 WeakPolarHBondContact O-CG 3.16Å; Y300-R304 PolarHBondContact O-N 3.25Å; Y300-Y333 AromaticContact CD2-CD2 3.71Å; Y300-Y333 HydrophobicContact CD2-CD2 3.71Å; Y300-Y333 HydrophobicContact CE2-CD2 4.39Å; Y300-Y333 AromaticContact CG-CD2 3.9Å; Y300-Y333 HydrophobicContact CG-CD2 3.9Å; Y300-Y333 HydrophobicContact CG-CE2 4.38Å; Y300-E337 HydrophobicContact CD2-CG 3.98Å; Y300-E337 HydrophobicContact CE2-CG 3.64Å; Y300-V573 HydrophobicContact CE1-CG1 4.35Å |
| 301 | V | 91.6 | Very high | 89.1 | Confident | 47 Ų | 47 | 34.2 Ų | 34.2 | 29% | 0.285 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.7 | -40.7 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | L257 E297 L298 N305 V573 | L257-V301 HydrophobicContact CD1-CG1 3.99Å; E297-V301 WeakPolarHBondContact O-CG2 3.44Å; E297-V301 PolarHBondContact O-N 3.17Å; L298-V301 PolarHBondContact O-N 3.24Å; V301-N305 PolarHBondContact O-N 2.84Å; V301-N305 PolarHBondContact O-ND2 3.28Å; V301-V573 HydrophobicContact CG1-CG2 4.02Å; V301-V573 HydrophobicContact CG2-CG2 4.38Å |
| 302 | A | 91.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L291 L298 Q299 Y300 N305 I306 | L291-A302 HydrophobicContact CB-CB 3.64Å; L291-A302 HydrophobicContact CD1-CB 4.34Å; L298-A302 VanDerWaalsContact O-CB 3.24Å; L298-A302 WeakPolarHBondContact O-CB 3.25Å; L298-A302 PolarHBondContact O-N 2.91Å; Q299-A302 PolarHBondContact O-N 3.02Å; Y300-A302 VanDerWaalsContact C-N 3.28Å; Y300-A302 PolarHBondContact O-N 3.31Å; A302-N305 PolarHBondContact O-N 3.42Å; A302-I306 HydrophobicContact CB-CD1 4.46Å; A302-I306 WeakPolarHBondContact O-CB 3.21Å; A302-I306 WeakPolarHBondContact O-CD1 3.37Å; A302-I306 VanDerWaalsContact O-CG1 3.22Å; A302-I306 WeakPolarHBondContact O-CG1 3.4Å; A302-I306 PolarHBondContact O-N 3.31Å |
| 303 | L | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 178.1 | -72.3 | 162 | 0 | 0 | 0 | 111.5 | L292 Q299 Y300 N305 I306 N307 F324 V334 E337 K338 I341 | L292-L303 HydrophobicContact CD1-CD2 4.2Å; L292-L303 HydrophobicContact CD2-CD2 4Å; L292-L303 HydrophobicContact CG-CD2 4.13Å; L292-L303 HydrophobicContact CG-CG 4.47Å; Q299-L303 WeakPolarHBondContact O-CB 3.5Å; Q299-L303 WeakPolarHBondContact O-CD1 3.46Å; Q299-L303 WeakPolarHBondContact O-CG 3.46Å; Q299-L303 PolarHBondContact O-N 3.41Å; Y300-L303 PolarHBondContact O-N 3.2Å; L303-N305 VanDerWaalsContact C-N 3.29Å; L303-N305 PolarHBondContact O-N 2.92Å; L303-I306 PolarHBondContact O-N 2.89Å; L303-I306 VanDerWaalsContact O-N 3.13Å; L303-N307 WeakPolarHBondContact O-CB 3.48Å; L303-N307 PolarHBondContact O-N 3.04Å; L303-F324 HydrophobicContact CD2-CD1 3.94Å; L303-F324 HydrophobicContact CD2-CE1 4.01Å; L303-V334 HydrophobicContact CD1-CB 4.42Å; L303-V334 HydrophobicContact CD1-CG1 3.85Å; L303-V334 HydrophobicContact CD1-CG2 4.4Å; L303-E337 HydrophobicContact CB-CB 3.9Å; L303-E337 HydrophobicContact CD1-CB 4.29Å; L303-K338 HydrophobicContact CD1-CG 4.11Å; L303-K338 HydrophobicContact CD2-CG 4.04Å; L303-I341 HydrophobicContact CB-CD1 4.14Å; L303-I341 HydrophobicContact CD2-CD1 3.65Å |
| 304 | R | 91.3 | Very high | 88.6 | Confident | 33 Ų | 33 | 36.6 Ų | 36.6 | 13% | 0.125 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.4 | -38.2 | 177.3 | -64.8 | -67.5 | -71.8 | 165.5 | 5.6 | 112.6 | Y300 E337 V573 H575 | Y300-R304 HydrophobicContact CD1-CG 4.25Å; Y300-R304 HydrophobicContact CD2-CG 4.24Å; Y300-R304 HydrophobicContact CE1-CG 3.86Å; Y300-R304 HydrophobicContact CE2-CG 3.87Å; Y300-R304 HydrophobicContact CG-CG 4.42Å; Y300-R304 VanDerWaalsContact O-CG 3.28Å; Y300-R304 WeakPolarHBondContact O-CG 3.16Å; Y300-R304 PolarHBondContact O-N 3.25Å; R304-E337 WeakPolarHBondContact CD-OE1 3.44Å; R304-E337 WeakPolarHBondContact CD-OE2 3.49Å; R304-E337 HydrophobicContact CG-CG 4.48Å; R304-E337 IonicContact CZ-OE1 2.76Å; R304-E337 IonicContact NE-OE1 2.99Å; R304-E337 IonicContact NH1-OE1 3.83Å; R304-E337 PolarHBondContact NH1-OE1 2.68Å; R304-E337 IonicContact NH1-OE2 2.64Å; R304-V573 HydrophobicContact CB-CG1 4.39Å; R304-V573 HydrophobicContact CG-CG1 4.29Å; R304-V573 VanDerWaalsContact CZ-O 3.32Å; R304-V573 PolarHBondContact NE-O 3.49Å; R304-V573 PolarHBondContact NH2-O 3.16Å; R304-H575 VanDerWaalsContact CZ-ND1 3.31Å; R304-H575 PolarHBondContact NH1-CE1 2.87Å; R304-H575 PolarHBondContact NH1-ND1 2.9Å; R304-H575 PolarHBondContact NH2-CE1 2.91Å; R304-H575 PolarHBondContact NH2-ND1 3.27Å; R304-H575 PolarHBondContact O-NE2 3.05Å |
| 305 | N | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -76.1 | -36.7 | 174.5 | -75.4 | -83.9 | 0 | 0 | 0 | 112.5 | L257 V301 A302 L303 N307 L308 I309 G568 S572 | L257-N305 HydrophobicContact CD2-CB 4.1Å; V301-N305 PolarHBondContact O-N 2.84Å; V301-N305 PolarHBondContact O-ND2 3.28Å; A302-N305 PolarHBondContact O-N 3.42Å; L303-N305 VanDerWaalsContact C-N 3.29Å; L303-N305 PolarHBondContact O-N 2.92Å; N305-N307 VanDerWaalsContact C-N 3.31Å; N305-N307 PolarHBondContact O-N 3.17Å; N305-L308 WeakPolarHBondContact O-CB 3.26Å; N305-L308 PolarHBondContact O-N 3.12Å; N305-I309 WeakPolarHBondContact O-CG1 3.32Å; N305-I309 PolarHBondContact O-N 2.8Å; N305-G568 PolarHBondContact OD1-N 3.33Å; N305-S572 WeakPolarHBondContact OD1-CB 3.19Å; N305-S572 PolarHBondContact OD1-OG 2.84Å |
| 306 | I | 90.4 | Very high | 88 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -36.1 | 175.2 | -75.6 | 163.6 | 0 | 0 | 0 | 111.3 | L288 L292 A302 L303 L308 I309 V310 L317 F324 I341 | L288-I306 HydrophobicContact CB-CD1 3.95Å; L288-I306 HydrophobicContact CB-CG1 4.27Å; L288-I306 HydrophobicContact CD1-CG1 4.41Å; L288-I306 HydrophobicContact CD2-CD1 4.25Å; L288-I306 HydrophobicContact CD2-CG1 3.9Å; L288-I306 HydrophobicContact CG-CG1 4.41Å; L292-I306 HydrophobicContact CD1-CD1 3.33Å; A302-I306 HydrophobicContact CB-CD1 4.46Å; A302-I306 WeakPolarHBondContact O-CB 3.21Å; A302-I306 WeakPolarHBondContact O-CD1 3.37Å; A302-I306 VanDerWaalsContact O-CG1 3.22Å; A302-I306 WeakPolarHBondContact O-CG1 3.4Å; A302-I306 PolarHBondContact O-N 3.31Å; L303-I306 PolarHBondContact O-N 2.89Å; L303-I306 VanDerWaalsContact O-N 3.13Å; I306-L308 VanDerWaalsContact C-N 3.31Å; I306-L308 PolarHBondContact O-N 3.37Å; I306-I309 PolarHBondContact O-N 3.42Å; I306-V310 HydrophobicContact CG2-CG2 4.02Å; I306-V310 WeakPolarHBondContact O-CB 3.22Å; I306-V310 VanDerWaalsContact O-CG2 3.31Å; I306-V310 WeakPolarHBondContact O-CG2 3.24Å; I306-V310 PolarHBondContact O-N 3.08Å; I306-L317 HydrophobicContact CG2-CD1 3.52Å; I306-F324 HydrophobicContact CG2-CE1 4.01Å; I306-F324 HydrophobicContact CG2-CZ 4.06Å; I306-I341 HydrophobicContact CG2-CD1 4.09Å |
| 307 | N | 89.2 | Confident | 87.7 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.4 | -44.6 | 174.1 | -166.6 | -18 | 0 | 0 | 0 | 111 | L303 N305 Q311 E337 I341 R344 | L303-N307 WeakPolarHBondContact O-CB 3.48Å; L303-N307 PolarHBondContact O-N 3.04Å; N305-N307 VanDerWaalsContact C-N 3.31Å; N305-N307 PolarHBondContact O-N 3.17Å; N307-Q311 VanDerWaalsContact O-CG 3.31Å; N307-Q311 WeakPolarHBondContact O-CG 3.35Å; N307-Q311 PolarHBondContact O-N 3.09Å; N307-Q311 PolarHBondContact OD1-NE2 2.66Å; N307-E337 PolarHBondContact ND2-OE2 3.36Å; N307-I341 HydrophobicContact CB-CD1 4.27Å; N307-I341 HydrophobicContact CB-CG1 4.14Å; N307-R344 PolarHBondContact OD1-NE 3.41Å |
| 308 | L | 87.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 173.2 | -59.3 | 173.8 | 0 | 0 | 0 | 112.6 | N305 I306 V310 Q311 R312 I555 L560 L563 S572 | N305-L308 WeakPolarHBondContact O-CB 3.26Å; N305-L308 PolarHBondContact O-N 3.12Å; I306-L308 VanDerWaalsContact C-N 3.31Å; I306-L308 PolarHBondContact O-N 3.37Å; L308-V310 VanDerWaalsContact C-N 3.33Å; L308-V310 PolarHBondContact O-N 3.25Å; L308-Q311 PolarHBondContact O-N 3.47Å; L308-R312 PolarHBondContact O-N 3.12Å; L308-R312 VanDerWaalsContact O-N 3.08Å; L308-I555 HydrophobicContact CD2-CD1 3.44Å; L308-I555 VanDerWaalsContact CD2-CD1 3.44Å; L308-L560 HydrophobicContact CB-CD1 4.21Å; L308-L560 HydrophobicContact CD2-CD1 3.86Å; L308-L563 HydrophobicContact CD1-CB 4.19Å; L308-L563 HydrophobicContact CD2-CB 4.42Å; L308-L563 HydrophobicContact CD2-CD1 4.16Å; L308-S572 WeakPolarHBondContact CD1-O 3.35Å |
| 309 | I | 87.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 179.5 | -66.1 | 162.2 | 0 | 0 | 0 | 110.9 | V260 M264 L288 N305 I306 R312 R313 I316 I567 | V260-I309 HydrophobicContact CG1-CD1 3.68Å; M264-I309 HydrophobicContact CE-CG1 4.5Å; M264-I309 HydrophobicContact CE-CG2 4.33Å; M264-I309 HydrophobicContact SD-CG2 4.4Å; L288-I309 HydrophobicContact CD1-CD1 4.4Å; L288-I309 HydrophobicContact CD1-CG2 4.44Å; L288-I309 HydrophobicContact CD2-CD1 4.12Å; N305-I309 WeakPolarHBondContact O-CG1 3.32Å; N305-I309 PolarHBondContact O-N 2.8Å; I306-I309 PolarHBondContact O-N 3.42Å; I309-R312 PolarHBondContact O-N 3.2Å; I309-R313 CarbonylContact O-C 3.58Å; I309-R313 WeakPolarHBondContact O-CA 3.46Å; I309-R313 PolarHBondContact O-N 3.23Å; I309-I316 HydrophobicContact CG2-CD1 3.78Å; I309-I567 HydrophobicContact CG1-CD1 4.16Å |
| 310 | V | 87.3 | Confident | 86.4 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.4 | -36.2 | 176.5 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | I306 L308 P314 L317 R344 L345 | I306-V310 HydrophobicContact CG2-CG2 4.02Å; I306-V310 WeakPolarHBondContact O-CB 3.22Å; I306-V310 VanDerWaalsContact O-CG2 3.31Å; I306-V310 WeakPolarHBondContact O-CG2 3.24Å; I306-V310 PolarHBondContact O-N 3.08Å; L308-V310 VanDerWaalsContact C-N 3.33Å; L308-V310 PolarHBondContact O-N 3.25Å; V310-P314 WeakPolarHBondContact O-CA 3.46Å; V310-P314 WeakPolarHBondContact O-CD 3.37Å; V310-L317 HydrophobicContact CG2-CD1 3.78Å; V310-R344 HydrophobicContact CG1-CB 3.98Å; V310-L345 HydrophobicContact CG1-CD2 3.75Å; V310-L345 HydrophobicContact CG1-CG 4.17Å; V310-L345 HydrophobicContact CG2-CD2 4.18Å |
| 311 | Q | 85.6 | Confident | 86 | Confident | 34 Ų | 34 | 38.8 Ų | 38.8 | 16% | 0.159 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.7 | -38.4 | 174.5 | -75.7 | 179 | 66.4 | 0 | 0 | 112.4 | N307 L308 I555 L560 | N307-Q311 VanDerWaalsContact O-CG 3.31Å; N307-Q311 WeakPolarHBondContact O-CG 3.35Å; N307-Q311 PolarHBondContact O-N 3.09Å; N307-Q311 PolarHBondContact OD1-NE2 2.66Å; L308-Q311 PolarHBondContact O-N 3.47Å; Q311-I555 VanDerWaalsContact OE1-N 3.09Å; Q311-L560 HydrophobicContact CB-CD1 4.23Å; Q311-L560 HydrophobicContact CB-CD2 3.89Å |
| 312 | R | 83.9 | Confident | 85.7 | Confident | 73 Ų | 73 | 43.4 Ų | 43.4 | 28% | 0.275 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -79.3 | -38 | 174.8 | -169.7 | 68.7 | 169.9 | -177.5 | -5.9 | 113.2 | M264 E268 L308 I309 L560 E561 I564 | M264-R312 HydrophobicContact CE-CB 4.38Å; M264-R312 HydrophobicContact CE-CG 4.39Å; E268-R312 IonicContact OE1-CZ 2.95Å; E268-R312 IonicContact OE1-NE 2.72Å; E268-R312 PolarHBondContact OE1-NE 3.06Å; E268-R312 VanDerWaalsContact OE1-NE 3.16Å; E268-R312 IonicContact OE1-NH2 3.22Å; E268-R312 IonicContact OE2-CZ 2.68Å; E268-R312 IonicContact OE2-NE 3.71Å; E268-R312 IonicContact OE2-NH2 2.69Å; E268-R312 PolarHBondContact OE2-NH2 3.17Å; L308-R312 PolarHBondContact O-N 3.12Å; L308-R312 VanDerWaalsContact O-N 3.08Å; I309-R312 PolarHBondContact O-N 3.2Å; R312-L560 HydrophobicContact CB-CD2 4.41Å; R312-E561 IonicContact CZ-OE1 2.64Å; R312-E561 IonicContact NH1-OE1 2.73Å; R312-E561 PolarHBondContact NH1-OE1 3.41Å; R312-E561 IonicContact NH2-OE1 3.75Å; R312-E561 PolarHBondContact NH2-OE1 3.32Å; R312-I564 HydrophobicContact CB-CD1 3.81Å; R312-I564 HydrophobicContact CG-CD1 3.6Å |
| 313 | R | 83.6 | Confident | 85.5 | Confident | 23 Ų | 23 | 45.1 Ų | 45.1 | 9% | 0.087 | 21% | 0.21 | C | C | . | . | trans | -144.8 | 74.3 | -168.2 | -59.8 | -171.2 | -176.9 | -148.9 | -4.3 | 111.8 | M264 M267 E268 Y277 I309 E315 I316 | M264-R313 HydrophobicContact CE-CG 4.17Å; M267-R313 VanDerWaalsContact CB-NH1 3.31Å; M267-R313 PolarHBondContact O-NH2 2.95Å; E268-R313 IonicContact OE1-CZ 3.16Å; E268-R313 IonicContact OE1-NE 2.73Å; E268-R313 IonicContact OE1-NH2 2.73Å; E268-R313 PolarHBondContact OE1-NH2 3.19Å; Y277-R313 PolarHBondContact OH-NH1 2.8Å; Y277-R313 VanDerWaalsContact OH-NH1 3.08Å; I309-R313 CarbonylContact O-C 3.58Å; I309-R313 WeakPolarHBondContact O-CA 3.46Å; I309-R313 PolarHBondContact O-N 3.23Å; R313-E315 PolarHBondContact O-N 3.44Å; R313-E315 VanDerWaalsContact O-N 3.08Å; R313-I316 HydrophobicContact CB-CD1 3.66Å; R313-I316 HydrophobicContact CB-CG1 4.14Å; R313-I316 PolarHBondContact O-N 3.05Å | ||
| 314 | P | 80.6 | Confident | 85.4 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.7 | -177.1 | 26.5 | -35.3 | 0 | 0 | 0 | 114.1 | V310 I316 | V310-P314 WeakPolarHBondContact O-CA 3.46Å; V310-P314 WeakPolarHBondContact O-CD 3.37Å; P314-I316 VanDerWaalsContact C-N 3.32Å; P314-I316 PolarHBondContact O-N 3.42Å |
| 315 | E | 81.6 | Confident | 85.4 | Confident | 131 Ų | 131 | 44.9 Ų | 44.9 | 61% | 0.612 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -31.7 | 179.2 | -57.7 | -166.3 | 139 | 0 | 0 | 113.7 | R313 L317 | R313-E315 PolarHBondContact O-N 3.44Å; R313-E315 VanDerWaalsContact O-N 3.08Å; E315-L317 VanDerWaalsContact C-N 3.32Å; E315-L317 PolarHBondContact O-N 3.38Å |
| 316 | I | 83.1 | Confident | 85.4 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -40.3 | -170.5 | -61 | 169.1 | 0 | 0 | 0 | 111.6 | M264 L281 L284 A285 L288 I309 R313 P314 | M264-I316 HydrophobicContact SD-CD1 4.41Å; L281-I316 HydrophobicContact CD2-CD1 4.04Å; L281-I316 HydrophobicContact CD2-CG1 3.62Å; L284-I316 HydrophobicContact CB-CG2 4.15Å; L284-I316 HydrophobicContact CD2-CD1 4.05Å; A285-I316 HydrophobicContact CB-CG2 4.17Å; A285-I316 WeakPolarHBondContact CB-O 3.31Å; L288-I316 HydrophobicContact CD1-CG2 4.31Å; I309-I316 HydrophobicContact CG2-CD1 3.78Å; R313-I316 HydrophobicContact CB-CD1 3.66Å; R313-I316 HydrophobicContact CB-CG1 4.14Å; R313-I316 PolarHBondContact O-N 3.05Å; P314-I316 VanDerWaalsContact C-N 3.32Å; P314-I316 PolarHBondContact O-N 3.42Å |
| 317 | L | 83 | Confident | 85.2 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 6.2 | -171.5 | -72.1 | 162 | 0 | 0 | 0 | 113.8 | A285 L288 V289 I306 V310 E315 H319 E320 F324 L345 | A285-L317 HydrophobicContact CB-CD2 4.34Å; L288-L317 HydrophobicContact CB-CD2 4.46Å; L288-L317 HydrophobicContact CD1-CD1 4.17Å; V289-L317 HydrophobicContact CG2-CD2 4.5Å; I306-L317 HydrophobicContact CG2-CD1 3.52Å; V310-L317 HydrophobicContact CG2-CD1 3.78Å; E315-L317 VanDerWaalsContact C-N 3.32Å; E315-L317 PolarHBondContact O-N 3.38Å; L317-H319 PolarHBondContact O-N 3.12Å; L317-E320 HydrophobicContact CD2-CB 4.25Å; L317-E320 PolarHBondContact O-N 3.38Å; L317-F324 HydrophobicContact CB-CE2 4.35Å; L317-F324 HydrophobicContact CD1-CZ 3.97Å; L317-F324 HydrophobicContact CD2-CE2 4.4Å; L317-F324 HydrophobicContact CD2-CZ 4.26Å; L317-L345 HydrophobicContact CB-CD1 4.09Å; L317-L345 HydrophobicContact CB-CD2 4.33Å |
| 318 | K | 78.4 | Confident | 85 | Confident | 120 Ų | 120 | 61.1 Ų | 61.1 | 52% | 0.522 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -27.9 | -175.8 | -171 | 172.6 | -177.8 | 174.8 | 0 | 114.5 | ||
| 319 | H | 81.4 | Confident | 84.9 | Confident | 169 Ų | 169 | 68 Ų | 68 | 78% | 0.782 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -23.4 | 178.4 | -65.3 | -69.4 | 0 | 0 | 0 | 113.9 | L317 M321 | L317-H319 PolarHBondContact O-N 3.12Å; H319-M321 VanDerWaalsContact C-N 3.29Å; H319-M321 PolarHBondContact O-N 3.39Å |
| 320 | E | 82.6 | Confident | 85 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 38% | 0.379 | 32% | 0.318 | S | S | . | . | trans | -89.7 | 14.3 | -171.6 | -64 | -55.8 | 145.7 | 0 | 0 | 113.4 | V289 L317 K322 V323 | V289-E320 HydrophobicContact CG2-CB 4.13Å; V289-E320 HydrophobicContact CG2-CG 3.98Å; L317-E320 HydrophobicContact CD2-CB 4.25Å; L317-E320 PolarHBondContact O-N 3.38Å; E320-K322 PolarHBondContact O-N 3.11Å; E320-V323 HydrophobicContact CB-CG1 4.39Å; E320-V323 HydrophobicContact CB-CG2 4.43Å; E320-V323 WeakPolarHBondContact O-CG1 3.35Å; E320-V323 WeakPolarHBondContact O-CG2 3.32Å; E320-V323 PolarHBondContact O-N 2.67Å | ||
| 321 | M | 84.1 | Confident | 85.2 | Confident | 11 Ų | 11 | 70.2 Ų | 70.2 | 5% | 0.054 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -43.4 | -35.9 | -171.4 | -173.7 | 58.4 | 175.1 | 0 | 0 | 115.6 | H319 V323 F324 F325 M342 L345 V354 | H319-M321 VanDerWaalsContact C-N 3.29Å; H319-M321 PolarHBondContact O-N 3.39Å; M321-V323 VanDerWaalsContact C-N 3.25Å; M321-V323 PolarHBondContact O-N 3.29Å; M321-F324 PolarHBondContact O-N 3.28Å; M321-F325 HydrophobicContact CG-CE1 4.18Å; M321-M342 HydrophobicContact CE-CB 3.76Å; M321-M342 HydrophobicContact CE-CG 3.84Å; M321-M342 WeakPolarHBondContact CE-O 3.47Å; M321-M342 HydrophobicContact SD-CG 4.47Å; M321-L345 HydrophobicContact SD-CB 3.68Å; M321-L345 HydrophobicContact SD-CD1 4.28Å; M321-V354 HydrophobicContact CE-CG1 4.41Å; M321-V354 HydrophobicContact CE-CG2 3.36Å |
| 322 | K | 85.4 | Confident | 85.4 | Confident | 144 Ų | 144 | 71.7 Ų | 71.7 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -64.3 | -21.3 | -179.7 | -59.9 | -175.8 | -177.3 | -177.9 | 0 | 114.4 | E320 F324 F325 | E320-K322 PolarHBondContact O-N 3.11Å; K322-F324 PolarHBondContact O-N 2.92Å; K322-F325 HydrophobicContact CB-CD2 4.38Å; K322-F325 HydrophobicContact CB-CE2 4.17Å; K322-F325 HydrophobicContact CB-CZ 4.46Å; K322-F325 HydrophobicContact CG-CE2 3.95Å; K322-F325 HydrophobicContact CG-CZ 4.1Å; K322-F325 PolarHBondContact O-N 3.4Å |
| 323 | V | 86.4 | Confident | 85.8 | Confident | 37 Ų | 37 | 73.1 Ų | 73.1 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -71.8 | -24.3 | 179.7 | -49.7 | 0 | 0 | 0 | 0 | 112.2 | V289 L292 E320 M321 F325 | V289-V323 HydrophobicContact CG1-CB 4.45Å; V289-V323 HydrophobicContact CG1-CG1 3.75Å; V289-V323 HydrophobicContact CG2-CG1 4.06Å; V289-V323 HydrophobicContact CG2-CG2 4.24Å; L292-V323 HydrophobicContact CD2-CB 4.35Å; L292-V323 HydrophobicContact CD2-CG2 3.88Å; E320-V323 HydrophobicContact CB-CG1 4.39Å; E320-V323 HydrophobicContact CB-CG2 4.43Å; E320-V323 WeakPolarHBondContact O-CG1 3.35Å; E320-V323 WeakPolarHBondContact O-CG2 3.32Å; E320-V323 PolarHBondContact O-N 2.67Å; M321-V323 VanDerWaalsContact C-N 3.25Å; M321-V323 PolarHBondContact O-N 3.29Å; V323-F325 VanDerWaalsContact C-N 3.34Å |
| 324 | F | 89.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 72 Ų | 72 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -85.6 | -5.2 | 179.2 | -58.7 | -73.8 | 0 | 0 | 0 | 113 | L292 L303 I306 L317 M321 K322 K338 I341 M342 L345 | L292-F324 HydrophobicContact CD1-CE1 4.28Å; L292-F324 HydrophobicContact CD2-CD1 3.79Å; L292-F324 HydrophobicContact CD2-CE1 3.67Å; L292-F324 HydrophobicContact CD2-CZ 4.42Å; L303-F324 HydrophobicContact CD2-CD1 3.94Å; L303-F324 HydrophobicContact CD2-CE1 4.01Å; I306-F324 HydrophobicContact CG2-CE1 4.01Å; I306-F324 HydrophobicContact CG2-CZ 4.06Å; L317-F324 HydrophobicContact CB-CE2 4.35Å; L317-F324 HydrophobicContact CD1-CZ 3.97Å; L317-F324 HydrophobicContact CD2-CE2 4.4Å; L317-F324 HydrophobicContact CD2-CZ 4.26Å; M321-F324 PolarHBondContact O-N 3.28Å; K322-F324 PolarHBondContact O-N 2.92Å; F324-K338 VanDerWaalsContact O-CB 3.29Å; F324-K338 WeakPolarHBondContact O-CB 3.46Å; F324-K338 WeakPolarHBondContact O-CD 3.43Å; F324-K338 WeakPolarHBondContact O-CG 3.47Å; F324-I341 HydrophobicContact CD1-CB 4.22Å; F324-I341 HydrophobicContact CD1-CD1 4.43Å; F324-I341 HydrophobicContact CD1-CG2 3.63Å; F324-I341 HydrophobicContact CD2-CG2 4.21Å; F324-I341 HydrophobicContact CE1-CD1 4.34Å; F324-I341 HydrophobicContact CE1-CG2 3.71Å; F324-I341 HydrophobicContact CE2-CG2 4.28Å; F324-I341 HydrophobicContact CG-CG2 3.91Å; F324-I341 HydrophobicContact CZ-CG2 4.05Å; F324-M342 HydrophobicContact CB-CG 3.73Å; F324-M342 VanDerWaalsContact O-SD 3.34Å; F324-L345 HydrophobicContact CD2-CD1 3.77Å; F324-L345 HydrophobicContact CE2-CD1 3.62Å; F324-L345 HydrophobicContact CZ-CD1 4.43Å |
| 325 | F | 90.8 | Very high | 86.7 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -61.9 | 143.1 | 175.3 | -64.1 | -5.7 | 0 | 0 | 0 | 110.9 | M321 K322 V323 K338 M342 Q353 E357 | M321-F325 HydrophobicContact CG-CE1 4.18Å; K322-F325 HydrophobicContact CB-CD2 4.38Å; K322-F325 HydrophobicContact CB-CE2 4.17Å; K322-F325 HydrophobicContact CB-CZ 4.46Å; K322-F325 HydrophobicContact CG-CE2 3.95Å; K322-F325 HydrophobicContact CG-CZ 4.1Å; K322-F325 PolarHBondContact O-N 3.4Å; V323-F325 VanDerWaalsContact C-N 3.34Å; F325-K338 PolarHBondContact O-NZ 2.99Å; F325-M342 HydrophobicContact CD1-CE 3.76Å; F325-M342 HydrophobicContact CD1-SD 4.01Å; F325-M342 HydrophobicContact CE1-CE 4.06Å; F325-Q353 HydrophobicContact CE2-CG 4.42Å; F325-Q353 VanDerWaalsContact CE2-NE2 3.32Å; F325-Q353 HydrophobicContact CZ-CG 4Å; F325-E357 HydrophobicContact CD1-CG 4.47Å; F325-E357 HydrophobicContact CD2-CG 4.34Å; F325-E357 WeakPolarHBondContact CD2-OE1 3.35Å; F325-E357 HydrophobicContact CE1-CG 4.31Å; F325-E357 HydrophobicContact CE2-CG 4.17Å; F325-E357 WeakPolarHBondContact CE2-OE1 2.95Å; F325-E357 HydrophobicContact CG-CG 4.5Å; F325-E357 HydrophobicContact CZ-CG 4.16Å |
| 326 | V | 90.1 | Very high | 87.1 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 131.1 | -173.9 | 173.4 | 0 | 0 | 0 | 0 | 109.5 | K335 K338 Y361 F369 | V326-K335 HydrophobicContact CG1-CB 4.03Å; V326-K335 HydrophobicContact CG1-CD 3.57Å; V326-K335 HydrophobicContact CG1-CG 3.59Å; V326-K335 HydrophobicContact CG2-CB 4.35Å; V326-K338 HydrophobicContact CG2-CB 4Å; V326-K338 HydrophobicContact CG2-CD 4.18Å; V326-Y361 HydrophobicContact CB-CE1 4.18Å; V326-Y361 HydrophobicContact CB-CE2 3.92Å; V326-Y361 HydrophobicContact CG2-CD2 4.47Å; V326-Y361 HydrophobicContact CG2-CE2 3.88Å; V326-Y361 PolarHBondContact N-OH 2.89Å; V326-F369 HydrophobicContact CB-CZ 4.27Å; V326-F369 HydrophobicContact CG1-CE1 4.35Å; V326-F369 HydrophobicContact CG1-CZ 3.96Å; V326-F369 HydrophobicContact CG2-CE2 4.43Å; V326-F369 HydrophobicContact CG2-CZ 4.01Å |
| 327 | K | 87.3 | Confident | 87.5 | Confident | 123 Ų | 123 | 66 Ų | 66 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -100 | 149.4 | 173.9 | -54.6 | 167.4 | -175 | 165.8 | 0 | 108.8 | N329 D330 | K327-N329 PolarHBondContact O-N 3.4Å; K327-N329 VanDerWaalsContact O-N 3.11Å; K327-D330 PolarHBondContact N-OD2 2.82Å; K327-D330 WeakPolarHBondContact O-CB 2.98Å; K327-D330 PolarHBondContact O-N 3.2Å |
| 328 | Y | 84.4 | Confident | 87.9 | Confident | 205 Ų | 205 | 66 Ų | 66 | 80% | 0.804 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -32.9 | 175.8 | -177.2 | -92.9 | 0 | 0 | 0 | 113.5 | ||
| 329 | N | 86.2 | Confident | 88.6 | Confident | 146 Ų | 146 | 60.5 Ų | 60.5 | 78% | 0.781 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -5.7 | 179.5 | -64.6 | -2.3 | 0 | 0 | 0 | 114.3 | K327 | K327-N329 PolarHBondContact O-N 3.4Å; K327-N329 VanDerWaalsContact O-N 3.11Å |
| 330 | D | 89.6 | Confident | 88.9 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -75.5 | 133.2 | 179.8 | -62.9 | -19.5 | 0 | 0 | 0 | 109.7 | K327 V334 K335 K338 | K327-D330 PolarHBondContact N-OD2 2.82Å; K327-D330 WeakPolarHBondContact O-CB 2.98Å; K327-D330 PolarHBondContact O-N 3.2Å; D330-V334 HydrophobicContact CB-CG1 4.04Å; D330-K335 HydrophobicContact CB-CG 4.14Å; D330-K335 WeakPolarHBondContact O-CE 3.33Å; D330-K338 IonicContact OD2-NZ 2.77Å; D330-K338 PolarHBondContact OD2-NZ 3.49Å |
| 331 | P | 91.3 | Very high | 89.2 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 23% | 0.234 | 24% | 0.237 | C | C | . | . | trans | -70 | 152.2 | 178.1 | 29.9 | -35.2 | 0 | 0 | 0 | 111.4 | P296 Y333 V334 K335 | P296-P331 HydrophobicContact CB-CG 3.99Å; P331-Y333 VanDerWaalsContact C-N 3.28Å; P331-Y333 HydrophobicContact CB-CD1 4.17Å; P331-Y333 HydrophobicContact CB-CE1 3.65Å; P331-Y333 HydrophobicContact CB-CE2 4.36Å; P331-Y333 HydrophobicContact CG-CD2 4.39Å; P331-Y333 HydrophobicContact CG-CE1 3.96Å; P331-Y333 HydrophobicContact CG-CE2 3.76Å; P331-Y333 PolarHBondContact O-N 3.39Å; P331-Y333 VanDerWaalsContact O-N 3.08Å; P331-V334 HydrophobicContact CG-CB 4.03Å; P331-V334 HydrophobicContact CG-CG2 3.89Å; P331-V334 WeakPolarHBondContact O-CA 3.38Å; P331-V334 WeakPolarHBondContact O-CB 3.49Å; P331-V334 PolarHBondContact O-N 2.99Å; P331-K335 PolarHBondContact O-N 2.79Å | ||
| 332 | I | 90.8 | Very high | 89.5 | Confident | 65 Ų | 65 | 50.1 Ų | 50.1 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -47.4 | -43.6 | -173.2 | -177.6 | 59 | 0 | 0 | 0 | 114.3 | V334 K335 L336 F369 | I332-V334 VanDerWaalsContact C-N 3.32Å; I332-V334 PolarHBondContact O-N 3.49Å; I332-K335 WeakPolarHBondContact O-CB 3.17Å; I332-K335 PolarHBondContact O-N 2.96Å; I332-K335 VanDerWaalsContact O-N 3.12Å; I332-L336 HydrophobicContact CD1-CD1 4.23Å; I332-L336 HydrophobicContact CD1-CG 4.1Å; I332-L336 HydrophobicContact CG1-CD1 4.1Å; I332-L336 HydrophobicContact CG1-CG 4.43Å; I332-L336 WeakPolarHBondContact O-CG 3.47Å; I332-L336 PolarHBondContact O-N 2.94Å; I332-F369 HydrophobicContact CD1-CB 3.7Å; I332-F369 HydrophobicContact CD1-CD2 4.37Å; I332-F369 HydrophobicContact CD1-CG 4.32Å |
| 333 | Y | 90.6 | Very high | 89.6 | Confident | 103 Ų | 103 | 43.5 Ų | 43.5 | 40% | 0.404 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.3 | -28.7 | 178.8 | 55.6 | -97.4 | 0 | 0 | 0 | 113.7 | Y300 P331 E337 | Y300-Y333 AromaticContact CD2-CD2 3.71Å; Y300-Y333 HydrophobicContact CD2-CD2 3.71Å; Y300-Y333 HydrophobicContact CE2-CD2 4.39Å; Y300-Y333 AromaticContact CG-CD2 3.9Å; Y300-Y333 HydrophobicContact CG-CD2 3.9Å; Y300-Y333 HydrophobicContact CG-CE2 4.38Å; P331-Y333 VanDerWaalsContact C-N 3.28Å; P331-Y333 HydrophobicContact CB-CD1 4.17Å; P331-Y333 HydrophobicContact CB-CE1 3.65Å; P331-Y333 HydrophobicContact CB-CE2 4.36Å; P331-Y333 HydrophobicContact CG-CD2 4.39Å; P331-Y333 HydrophobicContact CG-CE1 3.96Å; P331-Y333 HydrophobicContact CG-CE2 3.76Å; P331-Y333 PolarHBondContact O-N 3.39Å; P331-Y333 VanDerWaalsContact O-N 3.08Å; Y333-E337 PolarHBondContact O-N 2.9Å |
| 334 | V | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -75.7 | -39.6 | 169.5 | 166.2 | 0 | 0 | 0 | 0 | 110.6 | Q299 L303 D330 P331 I332 L336 K338 | Q299-V334 HydrophobicContact CB-CG2 4.38Å; L303-V334 HydrophobicContact CD1-CB 4.42Å; L303-V334 HydrophobicContact CD1-CG1 3.85Å; L303-V334 HydrophobicContact CD1-CG2 4.4Å; D330-V334 HydrophobicContact CB-CG1 4.04Å; P331-V334 HydrophobicContact CG-CB 4.03Å; P331-V334 HydrophobicContact CG-CG2 3.89Å; P331-V334 WeakPolarHBondContact O-CA 3.38Å; P331-V334 WeakPolarHBondContact O-CB 3.49Å; P331-V334 PolarHBondContact O-N 2.99Å; I332-V334 VanDerWaalsContact C-N 3.32Å; I332-V334 PolarHBondContact O-N 3.49Å; V334-L336 VanDerWaalsContact C-N 3.31Å; V334-L336 PolarHBondContact O-N 2.97Å; V334-K338 HydrophobicContact CG1-CD 4.06Å; V334-K338 HydrophobicContact CG1-CG 4.44Å; V334-K338 VanDerWaalsContact O-CB 3.3Å; V334-K338 WeakPolarHBondContact O-CB 3.3Å; V334-K338 WeakPolarHBondContact O-CG 3.43Å; V334-K338 PolarHBondContact O-N 3.03Å |
| 335 | K | 91.5 | Very high | 89.4 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.3 | -44.5 | 175.8 | -58.6 | -160.9 | 166.2 | -163.4 | 0 | 111.8 | V326 D330 P331 I332 K338 L339 E364 F369 | V326-K335 HydrophobicContact CG1-CB 4.03Å; V326-K335 HydrophobicContact CG1-CD 3.57Å; V326-K335 HydrophobicContact CG1-CG 3.59Å; V326-K335 HydrophobicContact CG2-CB 4.35Å; D330-K335 HydrophobicContact CB-CG 4.14Å; D330-K335 WeakPolarHBondContact O-CE 3.33Å; P331-K335 PolarHBondContact O-N 2.79Å; I332-K335 WeakPolarHBondContact O-CB 3.17Å; I332-K335 PolarHBondContact O-N 2.96Å; I332-K335 VanDerWaalsContact O-N 3.12Å; K335-K338 WeakPolarHBondContact O-CB 3.44Å; K335-L339 WeakPolarHBondContact O-CB 3.47Å; K335-L339 PolarHBondContact O-N 3.35Å; K335-E364 IonicContact NZ-OE1 3.03Å; K335-E364 PolarHBondContact NZ-OE1 2.92Å; K335-E364 IonicContact NZ-OE2 2.63Å; K335-E364 PolarHBondContact NZ-OE2 3.09Å; K335-F369 HydrophobicContact CB-CD2 3.85Å; K335-F369 HydrophobicContact CB-CE2 3.62Å; K335-F369 HydrophobicContact CB-CZ 4.16Å; K335-F369 HydrophobicContact CD-CD1 4.12Å; K335-F369 HydrophobicContact CD-CD2 4.3Å; K335-F369 HydrophobicContact CD-CE1 4.07Å; K335-F369 HydrophobicContact CD-CE2 4.29Å; K335-F369 HydrophobicContact CD-CG 4.24Å; K335-F369 HydrophobicContact CD-CZ 4.18Å |
| 336 | L | 90.3 | Very high | 89.3 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 28% | 0.277 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.6 | -46.9 | -177.9 | -69 | 172.4 | 0 | 0 | 0 | 113 | I332 V334 K338 L339 D340 F369 K372 | I332-L336 HydrophobicContact CD1-CD1 4.23Å; I332-L336 HydrophobicContact CD1-CG 4.1Å; I332-L336 HydrophobicContact CG1-CD1 4.1Å; I332-L336 HydrophobicContact CG1-CG 4.43Å; I332-L336 WeakPolarHBondContact O-CG 3.47Å; I332-L336 PolarHBondContact O-N 2.94Å; V334-L336 VanDerWaalsContact C-N 3.31Å; V334-L336 PolarHBondContact O-N 2.97Å; L336-K338 VanDerWaalsContact C-N 3.33Å; L336-K338 PolarHBondContact O-N 2.79Å; L336-L339 WeakPolarHBondContact O-CB 3.46Å; L336-L339 PolarHBondContact O-N 3.45Å; L336-D340 PolarHBondContact O-N 3.06Å; L336-F369 HydrophobicContact CD2-CD2 4.27Å; L336-K372 HydrophobicContact CD2-CB 3.82Å; L336-K372 HydrophobicContact CD2-CG 3.72Å |
| 337 | E | 90.9 | Very high | 89.1 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -37.9 | 176.6 | -68.4 | -64.1 | 152.2 | 0 | 0 | 112.2 | Y300 L303 R304 N307 Y333 L339 D340 I341 | Y300-E337 HydrophobicContact CD2-CG 3.98Å; Y300-E337 HydrophobicContact CE2-CG 3.64Å; L303-E337 HydrophobicContact CB-CB 3.9Å; L303-E337 HydrophobicContact CD1-CB 4.29Å; R304-E337 WeakPolarHBondContact CD-OE1 3.44Å; R304-E337 WeakPolarHBondContact CD-OE2 3.49Å; R304-E337 HydrophobicContact CG-CG 4.48Å; R304-E337 IonicContact CZ-OE1 2.76Å; R304-E337 IonicContact NE-OE1 2.99Å; R304-E337 IonicContact NH1-OE1 3.83Å; R304-E337 PolarHBondContact NH1-OE1 2.68Å; R304-E337 IonicContact NH1-OE2 2.64Å; N307-E337 PolarHBondContact ND2-OE2 3.36Å; Y333-E337 PolarHBondContact O-N 2.9Å; E337-L339 VanDerWaalsContact C-N 3.34Å; E337-D340 PolarHBondContact O-N 3.01Å; E337-I341 WeakPolarHBondContact O-CB 3.39Å; E337-I341 WeakPolarHBondContact O-CD1 3.18Å; E337-I341 VanDerWaalsContact O-CG1 3.28Å; E337-I341 WeakPolarHBondContact O-CG1 3.46Å; E337-I341 PolarHBondContact O-N 2.89Å |
| 338 | K | 91.9 | Very high | 88.9 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.2 | -47.1 | 171.4 | -86.8 | -178.4 | 168.8 | -164.5 | 0 | 111.7 | L303 F324 F325 V326 D330 V334 K335 L336 I341 M342 | L303-K338 HydrophobicContact CD1-CG 4.11Å; L303-K338 HydrophobicContact CD2-CG 4.04Å; F324-K338 VanDerWaalsContact O-CB 3.29Å; F324-K338 WeakPolarHBondContact O-CB 3.46Å; F324-K338 WeakPolarHBondContact O-CD 3.43Å; F324-K338 WeakPolarHBondContact O-CG 3.47Å; F325-K338 PolarHBondContact O-NZ 2.99Å; V326-K338 HydrophobicContact CG2-CB 4Å; V326-K338 HydrophobicContact CG2-CD 4.18Å; D330-K338 IonicContact OD2-NZ 2.77Å; D330-K338 PolarHBondContact OD2-NZ 3.49Å; V334-K338 HydrophobicContact CG1-CD 4.06Å; V334-K338 HydrophobicContact CG1-CG 4.44Å; V334-K338 VanDerWaalsContact O-CB 3.3Å; V334-K338 WeakPolarHBondContact O-CB 3.3Å; V334-K338 WeakPolarHBondContact O-CG 3.43Å; V334-K338 PolarHBondContact O-N 3.03Å; K335-K338 WeakPolarHBondContact O-CB 3.44Å; L336-K338 VanDerWaalsContact C-N 3.33Å; L336-K338 PolarHBondContact O-N 2.79Å; K338-I341 PolarHBondContact O-N 3.39Å; K338-M342 WeakPolarHBondContact O-CB 3.41Å; K338-M342 VanDerWaalsContact O-CG 3.3Å; K338-M342 WeakPolarHBondContact O-CG 3.45Å; K338-M342 PolarHBondContact O-N 3.46Å |
| 339 | L | 91.7 | Very high | 89 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.9 | -48.6 | 178.8 | -167.3 | 79.7 | 0 | 0 | 0 | 111.9 | K335 L336 E337 I341 M342 I343 L358 Y361 F369 K372 A373 A376 | K335-L339 WeakPolarHBondContact O-CB 3.47Å; K335-L339 PolarHBondContact O-N 3.35Å; L336-L339 WeakPolarHBondContact O-CB 3.46Å; L336-L339 PolarHBondContact O-N 3.45Å; E337-L339 VanDerWaalsContact C-N 3.34Å; L339-I341 PolarHBondContact O-N 3.37Å; L339-M342 WeakPolarHBondContact O-CB 3.28Å; L339-M342 PolarHBondContact O-N 2.88Å; L339-I343 WeakPolarHBondContact O-CG1 3.37Å; L339-I343 PolarHBondContact O-N 2.83Å; L339-L358 HydrophobicContact CD1-CD2 3.39Å; L339-Y361 HydrophobicContact CD1-CD2 4.03Å; L339-F369 HydrophobicContact CD1-CE2 4.34Å; L339-F369 HydrophobicContact CD2-CE2 4.43Å; L339-K372 HydrophobicContact CD2-CB 3.75Å; L339-K372 WeakPolarHBondContact CD2-O 3.13Å; L339-A373 HydrophobicContact CD1-CB 4.49Å; L339-A376 HydrophobicContact CD1-CB 4.31Å; L339-A376 HydrophobicContact CD2-CB 4.27Å; L339-A376 HydrophobicContact CG-CB 4.2Å |
| 340 | D | 87.8 | Confident | 89.1 | Confident | 43 Ų | 43 | 32 Ų | 32 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 177.7 | -85.8 | -27.7 | 0 | 0 | 0 | 112.3 | L336 E337 I343 R344 R379 | L336-D340 PolarHBondContact O-N 3.06Å; E337-D340 PolarHBondContact O-N 3.01Å; D340-I343 PolarHBondContact O-N 3.22Å; D340-R344 WeakPolarHBondContact O-CG 3.36Å; D340-R344 PolarHBondContact O-N 2.84Å; D340-R379 IonicContact OD1-CZ 3.56Å; D340-R379 IonicContact OD1-NH1 3.52Å; D340-R379 PolarHBondContact OD1-NH1 3.16Å |
| 341 | I | 89.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.1 | -37.6 | 174 | -67 | 161.7 | 0 | 0 | 0 | 111.2 | L303 I306 N307 F324 E337 K338 L339 I343 R344 L345 | L303-I341 HydrophobicContact CB-CD1 4.14Å; L303-I341 HydrophobicContact CD2-CD1 3.65Å; I306-I341 HydrophobicContact CG2-CD1 4.09Å; N307-I341 HydrophobicContact CB-CD1 4.27Å; N307-I341 HydrophobicContact CB-CG1 4.14Å; F324-I341 HydrophobicContact CD1-CB 4.22Å; F324-I341 HydrophobicContact CD1-CD1 4.43Å; F324-I341 HydrophobicContact CD1-CG2 3.63Å; F324-I341 HydrophobicContact CD2-CG2 4.21Å; F324-I341 HydrophobicContact CE1-CD1 4.34Å; F324-I341 HydrophobicContact CE1-CG2 3.71Å; F324-I341 HydrophobicContact CE2-CG2 4.28Å; F324-I341 HydrophobicContact CG-CG2 3.91Å; F324-I341 HydrophobicContact CZ-CG2 4.05Å; E337-I341 WeakPolarHBondContact O-CB 3.39Å; E337-I341 WeakPolarHBondContact O-CD1 3.18Å; E337-I341 VanDerWaalsContact O-CG1 3.28Å; E337-I341 WeakPolarHBondContact O-CG1 3.46Å; E337-I341 PolarHBondContact O-N 2.89Å; K338-I341 PolarHBondContact O-N 3.39Å; L339-I341 PolarHBondContact O-N 3.37Å; I341-I343 PolarHBondContact O-N 3.16Å; I341-R344 PolarHBondContact O-N 3.2Å; I341-L345 HydrophobicContact CG2-CD1 3.83Å; I341-L345 HydrophobicContact CG2-CG 4.26Å; I341-L345 WeakPolarHBondContact O-CB 3.05Å; I341-L345 WeakPolarHBondContact O-CG 3.28Å; I341-L345 PolarHBondContact O-N 2.95Å |
| 342 | M | 89.3 | Confident | 89 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.8 | -43.4 | 174.2 | -77.7 | 173 | 63.5 | 0 | 0 | 111.8 | M321 F324 F325 K338 L339 R344 L345 A346 V354 E357 Y361 | M321-M342 HydrophobicContact CE-CB 3.76Å; M321-M342 HydrophobicContact CE-CG 3.84Å; M321-M342 WeakPolarHBondContact CE-O 3.47Å; M321-M342 HydrophobicContact SD-CG 4.47Å; F324-M342 HydrophobicContact CB-CG 3.73Å; F324-M342 VanDerWaalsContact O-SD 3.34Å; F325-M342 HydrophobicContact CD1-CE 3.76Å; F325-M342 HydrophobicContact CD1-SD 4.01Å; F325-M342 HydrophobicContact CE1-CE 4.06Å; K338-M342 WeakPolarHBondContact O-CB 3.41Å; K338-M342 VanDerWaalsContact O-CG 3.3Å; K338-M342 WeakPolarHBondContact O-CG 3.45Å; K338-M342 PolarHBondContact O-N 3.46Å; L339-M342 WeakPolarHBondContact O-CB 3.28Å; L339-M342 PolarHBondContact O-N 2.88Å; M342-R344 VanDerWaalsContact C-N 3.34Å; M342-R344 PolarHBondContact O-N 2.98Å; M342-L345 CarbonylContact O-C 3.56Å; M342-L345 PolarHBondContact O-N 2.98Å; M342-A346 PolarHBondContact O-N 3.04Å; M342-V354 HydrophobicContact CE-CG1 4.3Å; M342-E357 HydrophobicContact CE-CB 4.3Å; M342-Y361 HydrophobicContact CE-CE2 4.07Å; M342-Y361 HydrophobicContact SD-CE2 4.27Å |
| 343 | I | 87.9 | Confident | 89 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 174.7 | -60 | 153.2 | 0 | 0 | 0 | 110.7 | L339 D340 I341 L345 A346 A376 R379 K383 | L339-I343 WeakPolarHBondContact O-CG1 3.37Å; L339-I343 PolarHBondContact O-N 2.83Å; D340-I343 PolarHBondContact O-N 3.22Å; I341-I343 PolarHBondContact O-N 3.16Å; I343-L345 PolarHBondContact O-N 3.38Å; I343-A346 VanDerWaalsContact O-CB 3.31Å; I343-A346 WeakPolarHBondContact O-CB 3.49Å; I343-A346 PolarHBondContact O-N 3.46Å; I343-A376 HydrophobicContact CD1-CB 3.54Å; I343-A376 HydrophobicContact CG1-CB 3.76Å; I343-R379 HydrophobicContact CG2-CB 3.83Å; I343-K383 WeakPolarHBondContact O-CE 3.43Å; I343-K383 PolarHBondContact O-NZ 3.44Å |
| 344 | R | 85.9 | Confident | 89 | Confident | 47 Ų | 47 | 28.8 Ų | 28.8 | 18% | 0.177 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 179 | -69.6 | 176.4 | -161.6 | -86.6 | -1.6 | 112.4 | N307 V310 D340 I341 M342 D553 | N307-R344 PolarHBondContact OD1-NE 3.41Å; V310-R344 HydrophobicContact CG1-CB 3.98Å; D340-R344 WeakPolarHBondContact O-CG 3.36Å; D340-R344 PolarHBondContact O-N 2.84Å; I341-R344 PolarHBondContact O-N 3.2Å; M342-R344 VanDerWaalsContact C-N 3.34Å; M342-R344 PolarHBondContact O-N 2.98Å; R344-D553 PolarHBondContact NH1-O 2.73Å; R344-D553 PolarHBondContact NH2-O 2.67Å |
| 345 | L | 86.9 | Confident | 88.9 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 0 | 175.6 | -64.6 | 177.2 | 0 | 0 | 0 | 114.5 | V310 L317 M321 F324 I341 M342 I343 N350 | V310-L345 HydrophobicContact CG1-CD2 3.75Å; V310-L345 HydrophobicContact CG1-CG 4.17Å; V310-L345 HydrophobicContact CG2-CD2 4.18Å; L317-L345 HydrophobicContact CB-CD1 4.09Å; L317-L345 HydrophobicContact CB-CD2 4.33Å; M321-L345 HydrophobicContact SD-CB 3.68Å; M321-L345 HydrophobicContact SD-CD1 4.28Å; F324-L345 HydrophobicContact CD2-CD1 3.77Å; F324-L345 HydrophobicContact CE2-CD1 3.62Å; F324-L345 HydrophobicContact CZ-CD1 4.43Å; I341-L345 HydrophobicContact CG2-CD1 3.83Å; I341-L345 HydrophobicContact CG2-CG 4.26Å; I341-L345 WeakPolarHBondContact O-CB 3.05Å; I341-L345 WeakPolarHBondContact O-CG 3.28Å; I341-L345 PolarHBondContact O-N 2.95Å; M342-L345 CarbonylContact O-C 3.56Å; M342-L345 PolarHBondContact O-N 2.98Å; I343-L345 PolarHBondContact O-N 3.38Å; L345-N350 PolarHBondContact O-ND2 3.39Å |
| 346 | A | 87.6 | Confident | 89 | Confident | 8 Ų | 8 | 31.7 Ų | 31.7 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | trans | -67.2 | 134.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M342 I343 I351 K383 | M342-A346 PolarHBondContact O-N 3.04Å; I343-A346 VanDerWaalsContact O-CB 3.31Å; I343-A346 WeakPolarHBondContact O-CB 3.49Å; I343-A346 PolarHBondContact O-N 3.46Å; A346-I351 HydrophobicContact CB-CD1 4.48Å; A346-K383 HydrophobicContact CB-CD 4.41Å | ||
| 347 | S | 85.9 | Confident | 89.1 | Confident | 32 Ų | 32 | 31.3 Ų | 31.3 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | trans | -153.5 | 164.6 | -176.8 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | A349 N350 I351 | S347-A349 PolarHBondContact O-N 2.87Å; S347-N350 PolarHBondContact N-OD1 3.11Å; S347-N350 PolarHBondContact O-N 3.36Å; S347-N350 PolarHBondContact O-OD1 3.16Å; S347-N350 PolarHBondContact OG-OD1 3.12Å; S347-I351 WeakPolarHBondContact O-CB 3.41Å; S347-I351 PolarHBondContact O-N 3.22Å | ||
| 348 | Q | 84.5 | Confident | 89.2 | Confident | 93 Ų | 93 | 30.6 Ų | 30.6 | 44% | 0.435 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -26.9 | -176.5 | -168.9 | 57.1 | 29.2 | 0 | 0 | 114.6 | Q386 | Q348-Q386 VanDerWaalsContact CD-OE1 3.31Š|
| 349 | A | 86.1 | Confident | 89.2 | Confident | 102 Ų | 102 | 34 Ų | 34 | 84% | 0.843 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -30.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S347 | S347-A349 PolarHBondContact O-N 2.87Š|
| 350 | N | 88.8 | Confident | 89.2 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -17 | -174.9 | 66.4 | 13.5 | 0 | 0 | 0 | 113.7 | L345 S347 A352 Q353 V354 | L345-N350 PolarHBondContact O-ND2 3.39Å; S347-N350 PolarHBondContact N-OD1 3.11Å; S347-N350 PolarHBondContact O-N 3.36Å; S347-N350 PolarHBondContact O-OD1 3.16Å; S347-N350 PolarHBondContact OG-OD1 3.12Å; N350-A352 PolarHBondContact O-N 3.17Å; N350-Q353 PolarHBondContact O-N 3.08Å; N350-V354 PolarHBondContact O-N 2.74Å; N350-V354 VanDerWaalsContact O-N 3.16Å |
| 351 | I | 88.2 | Confident | 89.4 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.8 | -32.2 | -171.4 | -172.4 | 56.1 | 0 | 0 | 0 | 114.9 | A346 S347 Q353 V354 L355 C380 | A346-I351 HydrophobicContact CB-CD1 4.48Å; S347-I351 WeakPolarHBondContact O-CB 3.41Å; S347-I351 PolarHBondContact O-N 3.22Å; I351-Q353 VanDerWaalsContact C-N 3.33Å; I351-Q353 PolarHBondContact O-N 2.9Å; I351-V354 HydrophobicContact CD1-CB 4.4Å; I351-V354 PolarHBondContact O-N 2.9Å; I351-L355 WeakPolarHBondContact O-CB 3.44Å; I351-L355 PolarHBondContact O-N 2.73Å; I351-C380 HydrophobicContact CD1-CB 3.88Å |
| 352 | A | 89.8 | Confident | 89.4 | Confident | 61 Ų | 61 | 38.9 Ų | 38.9 | 50% | 0.504 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.4 | -33.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N350 | N350-A352 PolarHBondContact O-N 3.17Å |
| 353 | Q | 90.1 | Very high | 89.4 | Confident | 84 Ų | 84 | 43.5 Ų | 43.5 | 39% | 0.393 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -77.2 | -42.5 | 173.4 | -172.6 | 172.8 | 11 | 0 | 0 | 110.7 | F325 N350 I351 L355 A356 E357 | F325-Q353 HydrophobicContact CE2-CG 4.42Å; F325-Q353 VanDerWaalsContact CE2-NE2 3.32Å; F325-Q353 HydrophobicContact CZ-CG 4Å; N350-Q353 PolarHBondContact O-N 3.08Å; I351-Q353 VanDerWaalsContact C-N 3.33Å; I351-Q353 PolarHBondContact O-N 2.9Å; Q353-L355 VanDerWaalsContact C-N 3.33Å; Q353-L355 PolarHBondContact O-N 2.67Å; Q353-A356 PolarHBondContact O-N 3.4Å; Q353-E357 WeakPolarHBondContact O-CG 3.3Å; Q353-E357 PolarHBondContact O-N 2.78Å; Q353-E357 VanDerWaalsContact O-N 3.11Å |
| 354 | V | 91.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 177.3 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | M321 M342 N350 I351 A356 E357 L358 | M321-V354 HydrophobicContact CE-CG1 4.41Å; M321-V354 HydrophobicContact CE-CG2 3.36Å; M342-V354 HydrophobicContact CE-CG1 4.3Å; N350-V354 PolarHBondContact O-N 2.74Å; N350-V354 VanDerWaalsContact O-N 3.16Å; I351-V354 HydrophobicContact CD1-CB 4.4Å; I351-V354 PolarHBondContact O-N 2.9Å; V354-A356 VanDerWaalsContact C-N 3.3Å; V354-A356 PolarHBondContact O-N 3.09Å; V354-E357 PolarHBondContact O-N 2.64Å; V354-L358 HydrophobicContact CG1-CD1 3.9Å; V354-L358 HydrophobicContact CG1-CG 4.17Å; V354-L358 WeakPolarHBondContact O-CB 3.47Å; V354-L358 VanDerWaalsContact O-CG 3.25Å; V354-L358 WeakPolarHBondContact O-CG 3.38Å; V354-L358 PolarHBondContact O-N 3.09Å |
| 355 | L | 91.9 | Very high | 89.5 | Confident | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.7 | -29.8 | -179.9 | -175.4 | 59.6 | 0 | 0 | 0 | 113 | I351 Q353 K359 I377 R390 T394 | I351-L355 WeakPolarHBondContact O-CB 3.44Å; I351-L355 PolarHBondContact O-N 2.73Å; Q353-L355 VanDerWaalsContact C-N 3.33Å; Q353-L355 PolarHBondContact O-N 2.67Å; L355-K359 WeakPolarHBondContact O-CB 3.46Å; L355-K359 PolarHBondContact O-N 3.25Å; L355-K359 VanDerWaalsContact O-N 3.07Å; L355-I377 HydrophobicContact CD1-CB 4.47Å; L355-I377 HydrophobicContact CD1-CD1 4.39Å; L355-I377 HydrophobicContact CD1-CG1 3.99Å; L355-I377 HydrophobicContact CD1-CG2 3.83Å; L355-R390 HydrophobicContact CD2-CB 3.61Å; L355-T394 HydrophobicContact CD1-CG2 4.07Å |
| 356 | A | 92.1 | Very high | 89.6 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.1 | -48.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q353 V354 K359 E360 | Q353-A356 PolarHBondContact O-N 3.4Å; V354-A356 VanDerWaalsContact C-N 3.3Å; V354-A356 PolarHBondContact O-N 3.09Å; A356-K359 PolarHBondContact O-N 2.97Å; A356-E360 PolarHBondContact O-N 3.24Å; A356-E360 VanDerWaalsContact O-N 3.16Å |
| 357 | E | 92.5 | Very high | 89.7 | Confident | 45 Ų | 45 | 54.8 Ų | 54.8 | 21% | 0.21 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 174.6 | -61.5 | -84.4 | 157.1 | 0 | 0 | 110.9 | F325 M342 Q353 V354 K359 E360 Y361 | F325-E357 HydrophobicContact CD1-CG 4.47Å; F325-E357 HydrophobicContact CD2-CG 4.34Å; F325-E357 WeakPolarHBondContact CD2-OE1 3.35Å; F325-E357 HydrophobicContact CE1-CG 4.31Å; F325-E357 HydrophobicContact CE2-CG 4.17Å; F325-E357 WeakPolarHBondContact CE2-OE1 2.95Å; F325-E357 HydrophobicContact CG-CG 4.5Å; F325-E357 HydrophobicContact CZ-CG 4.16Å; M342-E357 HydrophobicContact CE-CB 4.3Å; Q353-E357 WeakPolarHBondContact O-CG 3.3Å; Q353-E357 PolarHBondContact O-N 2.78Å; Q353-E357 VanDerWaalsContact O-N 3.11Å; V354-E357 PolarHBondContact O-N 2.64Å; E357-K359 VanDerWaalsContact C-N 3.27Å; E357-K359 PolarHBondContact O-N 3.41Å; E357-E360 WeakPolarHBondContact O-CB 3.37Å; E357-E360 PolarHBondContact O-N 2.99Å; E357-E360 VanDerWaalsContact O-N 3.09Å; E357-Y361 HydrophobicContact CB-CE1 4.21Å; E357-Y361 HydrophobicContact CB-CE2 4.23Å; E357-Y361 WeakPolarHBondContact O-CD1 3.4Å; E357-Y361 PolarHBondContact O-N 2.91Å; E357-Y361 PolarHBondContact OE2-OH 3.42Å |
| 358 | L | 92.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.5 | -33.2 | 177.3 | -72.2 | 178.1 | 0 | 0 | 0 | 113.2 | L339 V354 Y361 A362 A376 I377 | L339-L358 HydrophobicContact CD1-CD2 3.39Å; V354-L358 HydrophobicContact CG1-CD1 3.9Å; V354-L358 HydrophobicContact CG1-CG 4.17Å; V354-L358 WeakPolarHBondContact O-CB 3.47Å; V354-L358 VanDerWaalsContact O-CG 3.25Å; V354-L358 WeakPolarHBondContact O-CG 3.38Å; V354-L358 PolarHBondContact O-N 3.09Å; L358-Y361 HydrophobicContact CD2-CD2 4.28Å; L358-Y361 PolarHBondContact O-N 3.3Å; L358-A362 WeakPolarHBondContact O-CB 3.46Å; L358-A362 PolarHBondContact O-N 3.13Å; L358-A376 HydrophobicContact CD1-CB 4.04Å; L358-A376 HydrophobicContact CD2-CB 3.76Å; L358-I377 HydrophobicContact CB-CD1 4.13Å; L358-I377 HydrophobicContact CB-CG1 3.74Å; L358-I377 HydrophobicContact CD1-CG1 3.89Å; L358-I377 HydrophobicContact CG-CG1 4.41Å |
| 359 | K | 91.9 | Very high | 90.3 | Very high | 74 Ų | 74 | 54 Ų | 54 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.2 | -35.9 | 175.7 | -166.4 | -179.8 | -166.3 | 175.2 | 0 | 111.9 | L355 A356 E357 T394 D397 | L355-K359 WeakPolarHBondContact O-CB 3.46Å; L355-K359 PolarHBondContact O-N 3.25Å; L355-K359 VanDerWaalsContact O-N 3.07Å; A356-K359 PolarHBondContact O-N 2.97Å; E357-K359 VanDerWaalsContact C-N 3.27Å; E357-K359 PolarHBondContact O-N 3.41Å; K359-T394 HydrophobicContact CB-CG2 4.05Å; K359-T394 HydrophobicContact CD-CG2 3.83Å; K359-T394 HydrophobicContact CG-CG2 3.82Å; K359-D397 IonicContact NZ-OD2 2.7Å; K359-D397 PolarHBondContact NZ-OD2 3.39Å |
| 360 | E | 91.6 | Very high | 90.6 | Very high | 136 Ų | 136 | 49.1 Ų | 49.1 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -68.1 | -44.6 | 172.2 | -170.9 | 169.7 | 161 | 0 | 0 | 110.7 | A356 E357 A362 T363 | A356-E360 PolarHBondContact O-N 3.24Å; A356-E360 VanDerWaalsContact O-N 3.16Å; E357-E360 WeakPolarHBondContact O-CB 3.37Å; E357-E360 PolarHBondContact O-N 2.99Å; E357-E360 VanDerWaalsContact O-N 3.09Å; E360-A362 VanDerWaalsContact C-N 3.27Å; E360-A362 PolarHBondContact O-N 3.13Å; E360-T363 WeakPolarHBondContact O-CA 3.3Å; E360-T363 PolarHBondContact O-N 3.13Å; E360-T363 PolarHBondContact O-OG1 2.89Å |
| 361 | Y | 92.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -33.5 | 178.3 | -58.5 | -5.1 | 0 | 0 | 0 | 112.2 | V326 L339 M342 E357 L358 T363 E364 F369 V370 | V326-Y361 HydrophobicContact CB-CE1 4.18Å; V326-Y361 HydrophobicContact CB-CE2 3.92Å; V326-Y361 HydrophobicContact CG2-CD2 4.47Å; V326-Y361 HydrophobicContact CG2-CE2 3.88Å; V326-Y361 PolarHBondContact N-OH 2.89Å; L339-Y361 HydrophobicContact CD1-CD2 4.03Å; M342-Y361 HydrophobicContact CE-CE2 4.07Å; M342-Y361 HydrophobicContact SD-CE2 4.27Å; E357-Y361 HydrophobicContact CB-CE1 4.21Å; E357-Y361 HydrophobicContact CB-CE2 4.23Å; E357-Y361 WeakPolarHBondContact O-CD1 3.4Å; E357-Y361 PolarHBondContact O-N 2.91Å; E357-Y361 PolarHBondContact OE2-OH 3.42Å; L358-Y361 HydrophobicContact CD2-CD2 4.28Å; L358-Y361 PolarHBondContact O-N 3.3Å; Y361-T363 PolarHBondContact O-N 2.97Å; Y361-E364 PolarHBondContact O-N 3.16Å; Y361-F369 HydrophobicContact CD2-CE1 4.32Å; Y361-F369 AromaticContact CD2-CZ 3.75Å; Y361-F369 HydrophobicContact CD2-CZ 3.75Å; Y361-F369 AromaticContact CG-CE1 3.93Å; Y361-F369 HydrophobicContact CG-CE1 3.93Å; Y361-F369 AromaticContact CG-CZ 3.84Å; Y361-F369 HydrophobicContact CG-CZ 3.84Å; Y361-V370 WeakPolarHBondContact O-CG2 3.39Å |
| 362 | A | 89.9 | Confident | 90.9 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -0.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L358 E360 V370 V374 L398 | L358-A362 WeakPolarHBondContact O-CB 3.46Å; L358-A362 PolarHBondContact O-N 3.13Å; E360-A362 VanDerWaalsContact C-N 3.27Å; E360-A362 PolarHBondContact O-N 3.13Å; A362-V370 WeakPolarHBondContact O-CG1 3.4Å; A362-V374 HydrophobicContact CB-CG2 4.09Å; A362-L398 HydrophobicContact CB-CD1 3.87Å; A362-L398 HydrophobicContact CB-CD2 3.84Å |
| 363 | T | 88.4 | Confident | 91.1 | Very high | 98 Ų | 98 | 52.4 Ų | 52.4 | 60% | 0.601 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 11.4 | 172.1 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | E360 Y361 | E360-T363 WeakPolarHBondContact O-CA 3.3Å; E360-T363 PolarHBondContact O-N 3.13Å; E360-T363 PolarHBondContact O-OG1 2.89Å; Y361-T363 PolarHBondContact O-N 2.97Å |
| 364 | E | 88.5 | Confident | 91.3 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -67.3 | 171.2 | 169.2 | -81.5 | -156 | -165.6 | 0 | 0 | 112.9 | K335 Y361 F369 V370 | K335-E364 IonicContact NZ-OE1 3.03Å; K335-E364 PolarHBondContact NZ-OE1 2.92Å; K335-E364 IonicContact NZ-OE2 2.63Å; K335-E364 PolarHBondContact NZ-OE2 3.09Å; Y361-E364 PolarHBondContact O-N 3.16Å; E364-F369 HydrophobicContact CB-CD1 4.27Å; E364-F369 HydrophobicContact CG-CD1 4.28Å; E364-F369 HydrophobicContact CG-CE1 4.32Å; E364-F369 WeakPolarHBondContact OE2-CD1 3.46Å; E364-V370 HydrophobicContact CB-CG2 4.12Å; E364-V370 WeakPolarHBondContact O-CG2 3.46Å |
| 365 | V | 87.5 | Confident | 91.4 | Very high | 141 Ų | 141 | 51.6 Ų | 51.6 | 86% | 0.855 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -85.7 | -18 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 366 | D | 89.4 | Confident | 91.3 | Very high | 65 Ų | 65 | 51 Ų | 51 | 35% | 0.348 | 27% | 0.267 | S | S | . | . | trans | -87.2 | 112.5 | -176 | -171.9 | -78.6 | 0 | 0 | 0 | 111.1 | D368 F369 V370 | D366-D368 PolarHBondContact O-N 3.02Å; D366-D368 PolarHBondContact OD1-N 2.69Å; D366-F369 HydrophobicContact CB-CB 4.01Å; D366-F369 PolarHBondContact O-N 3.36Å; D366-F369 WeakPolarHBondContact OD1-CB 3.13Å; D366-F369 PolarHBondContact OD1-N 3.29Å; D366-V370 WeakPolarHBondContact O-CB 3.49Å; D366-V370 VanDerWaalsContact O-CG2 3.25Å; D366-V370 WeakPolarHBondContact O-CG2 3.23Å; D366-V370 PolarHBondContact O-N 3.32Å | ||
| 367 | V | 90.1 | Very high | 91.4 | Very high | 54 Ų | 54 | 48 Ų | 48 | 33% | 0.327 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -40 | -171.9 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | R371 Y405 | V367-R371 WeakPolarHBondContact O-CB 3.37Å; V367-R371 WeakPolarHBondContact O-CD 3.47Å; V367-R371 VanDerWaalsContact O-CG 3.26Å; V367-R371 WeakPolarHBondContact O-CG 3.38Å; V367-R371 PolarHBondContact O-N 3.13Å; V367-Y405 HydrophobicContact CG1-CD1 4.46Å; V367-Y405 HydrophobicContact CG1-CD2 3.87Å; V367-Y405 HydrophobicContact CG1-CE2 4.34Å; V367-Y405 HydrophobicContact CG1-CG 3.94Å; V367-Y405 HydrophobicContact CG2-CD1 4.37Å; V367-Y405 HydrophobicContact CG2-CD2 4.43Å; V367-Y405 HydrophobicContact CG2-CE1 4.1Å; V367-Y405 HydrophobicContact CG2-CE2 4.16Å |
| 368 | D | 90.1 | Very high | 91.3 | Very high | 109 Ų | 109 | 46 Ų | 46 | 58% | 0.583 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -68.9 | -44.1 | -179.6 | -70.1 | -36.7 | 0 | 0 | 0 | 110.8 | D366 R371 K372 | D366-D368 PolarHBondContact O-N 3.02Å; D366-D368 PolarHBondContact OD1-N 2.69Å; D368-R371 PolarHBondContact O-N 2.96Å; D368-K372 VanDerWaalsContact O-CG 3.28Å; D368-K372 WeakPolarHBondContact O-CG 3.41Å; D368-K372 PolarHBondContact O-N 3.37Å |
| 369 | F | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 174.9 | -173.8 | -124.4 | 0 | 0 | 0 | 112.2 | V326 I332 K335 L336 L339 Y361 E364 D366 R371 K372 A373 | V326-F369 HydrophobicContact CB-CZ 4.27Å; V326-F369 HydrophobicContact CG1-CE1 4.35Å; V326-F369 HydrophobicContact CG1-CZ 3.96Å; V326-F369 HydrophobicContact CG2-CE2 4.43Å; V326-F369 HydrophobicContact CG2-CZ 4.01Å; I332-F369 HydrophobicContact CD1-CB 3.7Å; I332-F369 HydrophobicContact CD1-CD2 4.37Å; I332-F369 HydrophobicContact CD1-CG 4.32Å; K335-F369 HydrophobicContact CB-CD2 3.85Å; K335-F369 HydrophobicContact CB-CE2 3.62Å; K335-F369 HydrophobicContact CB-CZ 4.16Å; K335-F369 HydrophobicContact CD-CD1 4.12Å; K335-F369 HydrophobicContact CD-CD2 4.3Å; K335-F369 HydrophobicContact CD-CE1 4.07Å; K335-F369 HydrophobicContact CD-CE2 4.29Å; K335-F369 HydrophobicContact CD-CG 4.24Å; K335-F369 HydrophobicContact CD-CZ 4.18Å; L336-F369 HydrophobicContact CD2-CD2 4.27Å; L339-F369 HydrophobicContact CD1-CE2 4.34Å; L339-F369 HydrophobicContact CD2-CE2 4.43Å; Y361-F369 HydrophobicContact CD2-CE1 4.32Å; Y361-F369 AromaticContact CD2-CZ 3.75Å; Y361-F369 HydrophobicContact CD2-CZ 3.75Å; Y361-F369 AromaticContact CG-CE1 3.93Å; Y361-F369 HydrophobicContact CG-CE1 3.93Å; Y361-F369 AromaticContact CG-CZ 3.84Å; Y361-F369 HydrophobicContact CG-CZ 3.84Å; E364-F369 HydrophobicContact CB-CD1 4.27Å; E364-F369 HydrophobicContact CG-CD1 4.28Å; E364-F369 HydrophobicContact CG-CE1 4.32Å; E364-F369 WeakPolarHBondContact OE2-CD1 3.46Å; D366-F369 HydrophobicContact CB-CB 4.01Å; D366-F369 PolarHBondContact O-N 3.36Å; D366-F369 WeakPolarHBondContact OD1-CB 3.13Å; D366-F369 PolarHBondContact OD1-N 3.29Å; F369-R371 PolarHBondContact O-N 3.16Å; F369-K372 PolarHBondContact O-N 2.93Å; F369-A373 WeakPolarHBondContact O-CB 3.46Å; F369-A373 PolarHBondContact O-N 3.33Å |
| 370 | V | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 178.1 | 165.9 | 0 | 0 | 0 | 0 | 111 | Y361 A362 E364 D366 K372 A373 V374 Y405 V406 | Y361-V370 WeakPolarHBondContact O-CG2 3.39Å; A362-V370 WeakPolarHBondContact O-CG1 3.4Å; E364-V370 HydrophobicContact CB-CG2 4.12Å; E364-V370 WeakPolarHBondContact O-CG2 3.46Å; D366-V370 WeakPolarHBondContact O-CB 3.49Å; D366-V370 VanDerWaalsContact O-CG2 3.25Å; D366-V370 WeakPolarHBondContact O-CG2 3.23Å; D366-V370 PolarHBondContact O-N 3.32Å; V370-K372 PolarHBondContact O-N 3.09Å; V370-A373 WeakPolarHBondContact O-CB 3.21Å; V370-A373 PolarHBondContact O-N 3.43Å; V370-A373 VanDerWaalsContact O-N 3.16Å; V370-V374 WeakPolarHBondContact O-CG2 3.46Å; V370-V374 PolarHBondContact O-N 3.32Å; V370-Y405 HydrophobicContact CB-CE2 4.4Å; V370-Y405 HydrophobicContact CG1-CD2 4.35Å; V370-Y405 HydrophobicContact CG1-CE2 3.96Å; V370-V406 HydrophobicContact CG1-CG2 3.69Å |
| 371 | R | 91.6 | Very high | 90.8 | Very high | 44 Ų | 44 | 38.1 Ų | 38.1 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -46.8 | 176 | -73.9 | 165.9 | 177.3 | -117 | 9.9 | 111.8 | V367 D368 F369 A373 V374 R375 E409 E441 | V367-R371 WeakPolarHBondContact O-CB 3.37Å; V367-R371 WeakPolarHBondContact O-CD 3.47Å; V367-R371 VanDerWaalsContact O-CG 3.26Å; V367-R371 WeakPolarHBondContact O-CG 3.38Å; V367-R371 PolarHBondContact O-N 3.13Å; D368-R371 PolarHBondContact O-N 2.96Å; F369-R371 PolarHBondContact O-N 3.16Å; R371-A373 VanDerWaalsContact C-N 3.29Å; R371-A373 PolarHBondContact O-N 3.42Å; R371-V374 PolarHBondContact O-N 3.15Å; R371-R375 WeakPolarHBondContact O-CB 3.49Å; R371-R375 PolarHBondContact O-N 3.26Å; R371-E409 HydrophobicContact CB-CG 4.22Å; R371-E409 HydrophobicContact CG-CB 4.26Å; R371-E409 HydrophobicContact CG-CG 4.48Å; R371-E409 WeakPolarHBondContact O-CG 3.16Å; R371-E441 IonicContact CZ-OE1 3.7Å; R371-E441 VanDerWaalsContact CZ-OE1 3.24Å; R371-E441 IonicContact CZ-OE2 3.56Å; R371-E441 IonicContact NH1-OE1 3.63Å; R371-E441 PolarHBondContact NH1-OE1 2.92Å; R371-E441 IonicContact NH1-OE2 3.69Å; R371-E441 PolarHBondContact NH1-OE2 2.89Å; R371-E441 VanDerWaalsContact NH2-CD 3.27Å; R371-E441 IonicContact NH2-OE1 3.04Å; R371-E441 PolarHBondContact NH2-OE1 2.86Å; R371-E441 IonicContact NH2-OE2 3.16Å |
| 372 | K | 91.9 | Very high | 90.6 | Very high | 114 Ų | 114 | 39 Ų | 39 | 50% | 0.496 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.7 | -34.4 | 177.1 | -62.5 | -64.6 | 178.3 | -167.4 | 0 | 111.9 | L336 L339 D368 F369 V370 R375 A376 | L336-K372 HydrophobicContact CD2-CB 3.82Å; L336-K372 HydrophobicContact CD2-CG 3.72Å; L339-K372 HydrophobicContact CD2-CB 3.75Å; L339-K372 WeakPolarHBondContact CD2-O 3.13Å; D368-K372 VanDerWaalsContact O-CG 3.28Å; D368-K372 WeakPolarHBondContact O-CG 3.41Å; D368-K372 PolarHBondContact O-N 3.37Å; F369-K372 PolarHBondContact O-N 2.93Å; V370-K372 PolarHBondContact O-N 3.09Å; K372-R375 PolarHBondContact O-N 2.79Å; K372-A376 WeakPolarHBondContact O-CB 3.07Å; K372-A376 PolarHBondContact O-N 3.47Å |
| 373 | A | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -40 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | L339 F369 V370 R371 A376 I377 | L339-A373 HydrophobicContact CD1-CB 4.49Å; F369-A373 WeakPolarHBondContact O-CB 3.46Å; F369-A373 PolarHBondContact O-N 3.33Å; V370-A373 WeakPolarHBondContact O-CB 3.21Å; V370-A373 PolarHBondContact O-N 3.43Å; V370-A373 VanDerWaalsContact O-N 3.16Å; R371-A373 VanDerWaalsContact C-N 3.29Å; R371-A373 PolarHBondContact O-N 3.42Å; A373-A376 VanDerWaalsContact O-CB 3.31Å; A373-A376 WeakPolarHBondContact O-CB 3.37Å; A373-A376 PolarHBondContact O-N 3.36Å; A373-I377 WeakPolarHBondContact O-CG1 3.32Å; A373-I377 PolarHBondContact O-N 3.24Å |
| 374 | V | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 172.5 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | A362 V370 R371 A376 I377 G378 L395 L398 V406 E409 A410 V413 | A362-V374 HydrophobicContact CB-CG2 4.09Å; V370-V374 WeakPolarHBondContact O-CG2 3.46Å; V370-V374 PolarHBondContact O-N 3.32Å; R371-V374 PolarHBondContact O-N 3.15Å; V374-A376 VanDerWaalsContact C-N 3.26Å; V374-A376 PolarHBondContact O-N 3.18Å; V374-I377 WeakPolarHBondContact O-CB 3.3Å; V374-I377 PolarHBondContact O-N 3.07Å; V374-G378 PolarHBondContact O-N 3.29Å; V374-G378 VanDerWaalsContact O-N 3.14Å; V374-L395 HydrophobicContact CG1-CD2 3.72Å; V374-L398 HydrophobicContact CG2-CD1 4.3Å; V374-V406 HydrophobicContact CG2-CG1 4.12Å; V374-E409 HydrophobicContact CB-CB 4.47Å; V374-E409 HydrophobicContact CB-CG 3.79Å; V374-E409 HydrophobicContact CG1-CB 4.19Å; V374-E409 HydrophobicContact CG1-CG 3.71Å; V374-A410 HydrophobicContact CG1-CB 4.05Å; V374-V413 HydrophobicContact CG1-CG2 4.39Å |
| 375 | R | 92.3 | Very high | 90.1 | Very high | 68 Ų | 68 | 41 Ų | 41 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.8 | -37.4 | 171.8 | -160.8 | 81.9 | -169.4 | 144.8 | 3.5 | 112.1 | R371 K372 G378 R379 E409 V412 D416 | R371-R375 WeakPolarHBondContact O-CB 3.49Å; R371-R375 PolarHBondContact O-N 3.26Å; K372-R375 PolarHBondContact O-N 2.79Å; R375-G378 WeakPolarHBondContact O-CA 3.43Å; R375-G378 PolarHBondContact O-N 3.39Å; R375-R379 PolarHBondContact O-N 2.77Å; R375-E409 WeakPolarHBondContact CD-OE1 3.31Å; R375-E409 IonicContact NH1-OE1 2.84Å; R375-V412 PolarHBondContact NH1-O 2.79Å; R375-D416 IonicContact CZ-OD2 2.68Å; R375-D416 IonicContact NH1-OD2 3.72Å; R375-D416 PolarHBondContact NH1-OD2 2.92Å; R375-D416 IonicContact NH2-OD2 3.86Å; R375-D416 PolarHBondContact NH2-OD2 3.22Å |
| 376 | A | 91.3 | Very high | 90 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L339 I343 L358 K372 A373 V374 G378 R379 C380 | L339-A376 HydrophobicContact CD1-CB 4.31Å; L339-A376 HydrophobicContact CD2-CB 4.27Å; L339-A376 HydrophobicContact CG-CB 4.2Å; I343-A376 HydrophobicContact CD1-CB 3.54Å; I343-A376 HydrophobicContact CG1-CB 3.76Å; L358-A376 HydrophobicContact CD1-CB 4.04Å; L358-A376 HydrophobicContact CD2-CB 3.76Å; K372-A376 WeakPolarHBondContact O-CB 3.07Å; K372-A376 PolarHBondContact O-N 3.47Å; A373-A376 VanDerWaalsContact O-CB 3.31Å; A373-A376 WeakPolarHBondContact O-CB 3.37Å; A373-A376 PolarHBondContact O-N 3.36Å; V374-A376 VanDerWaalsContact C-N 3.26Å; V374-A376 PolarHBondContact O-N 3.18Å; A376-G378 PolarHBondContact O-N 2.91Å; A376-R379 PolarHBondContact O-N 3.32Å; A376-C380 WeakPolarHBondContact O-CB 3.2Å; A376-C380 PolarHBondContact O-N 3.27Å; A376-C380 PolarHBondContact O-SG 2.89Å; A376-C380 VanDerWaalsContact O-SG 3.38Å |
| 377 | I | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.4 | -38.6 | 172.3 | -63.9 | 169.2 | 0 | 0 | 0 | 110.1 | L355 L358 A373 V374 C380 A381 C391 T394 L395 L398 | L355-I377 HydrophobicContact CD1-CB 4.47Å; L355-I377 HydrophobicContact CD1-CD1 4.39Å; L355-I377 HydrophobicContact CD1-CG1 3.99Å; L355-I377 HydrophobicContact CD1-CG2 3.83Å; L358-I377 HydrophobicContact CB-CD1 4.13Å; L358-I377 HydrophobicContact CB-CG1 3.74Å; L358-I377 HydrophobicContact CD1-CG1 3.89Å; L358-I377 HydrophobicContact CG-CG1 4.41Å; A373-I377 WeakPolarHBondContact O-CG1 3.32Å; A373-I377 PolarHBondContact O-N 3.24Å; V374-I377 WeakPolarHBondContact O-CB 3.3Å; V374-I377 PolarHBondContact O-N 3.07Å; I377-C380 WeakPolarHBondContact O-CB 3.22Å; I377-A381 PolarHBondContact O-N 2.72Å; I377-A381 VanDerWaalsContact O-N 3.13Å; I377-C391 HydrophobicContact CG2-CB 3.79Å; I377-T394 HydrophobicContact CD1-CG2 4.12Å; I377-L395 HydrophobicContact CB-CD2 4.39Å; I377-L395 HydrophobicContact CG2-CD1 4.23Å; I377-L395 HydrophobicContact CG2-CD2 4.09Å; I377-L395 HydrophobicContact CG2-CG 3.91Å; I377-L398 HydrophobicContact CD1-CD1 3.89Å |
| 378 | G | 90.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -54.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V374 R375 A376 C380 A381 I382 | V374-G378 PolarHBondContact O-N 3.29Å; V374-G378 VanDerWaalsContact O-N 3.14Å; R375-G378 WeakPolarHBondContact O-CA 3.43Å; R375-G378 PolarHBondContact O-N 3.39Å; A376-G378 PolarHBondContact O-N 2.91Å; G378-C380 VanDerWaalsContact C-N 3.28Å; G378-C380 PolarHBondContact O-N 3.17Å; G378-A381 WeakPolarHBondContact O-CB 3.48Å; G378-A381 PolarHBondContact O-N 3.27Å; G378-A381 VanDerWaalsContact O-N 3.09Å; G378-I382 WeakPolarHBondContact O-CG1 3.21Å; G378-I382 PolarHBondContact O-N 3.05Å; G378-I382 VanDerWaalsContact O-N 3.13Å |
| 379 | R | 89.1 | Confident | 89.9 | Confident | 46 Ų | 46 | 36.2 Ų | 36.2 | 17% | 0.174 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.5 | -43 | 176.8 | -73.7 | 176.2 | 172.7 | 156.7 | -9.1 | 111.4 | D340 I343 R375 A376 A381 I382 K383 D553 | D340-R379 IonicContact OD1-CZ 3.56Å; D340-R379 IonicContact OD1-NH1 3.52Å; D340-R379 PolarHBondContact OD1-NH1 3.16Å; I343-R379 HydrophobicContact CG2-CB 3.83Å; R375-R379 PolarHBondContact O-N 2.77Å; A376-R379 PolarHBondContact O-N 3.32Å; R379-A381 PolarHBondContact O-N 3.23Å; R379-I382 PolarHBondContact O-N 3.49Å; R379-K383 VanDerWaalsContact O-CB 3.29Å; R379-K383 WeakPolarHBondContact O-CB 3.27Å; R379-K383 PolarHBondContact O-N 3.15Å; R379-D553 IonicContact CZ-OD1 2.68Å; R379-D553 IonicContact CZ-OD2 2.67Å; R379-D553 VanDerWaalsContact CZ-OD2 3.22Å; R379-D553 IonicContact NE-OD2 2.65Å; R379-D553 PolarHBondContact NE-OD2 2.84Å; R379-D553 IonicContact NH2-OD1 2.61Å; R379-D553 PolarHBondContact NH2-OD1 2.73Å; R379-D553 IonicContact NH2-OD2 3.25Å; R379-D553 PolarHBondContact NH2-OD2 2.84Å |
| 380 | C | 89.1 | Confident | 89.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56 | -44.1 | 173.9 | -80.6 | 0 | 0 | 0 | 0 | 113.3 | I351 A376 I377 G378 K383 V384 S387 | I351-C380 HydrophobicContact CD1-CB 3.88Å; A376-C380 WeakPolarHBondContact O-CB 3.2Å; A376-C380 PolarHBondContact O-N 3.27Å; A376-C380 PolarHBondContact O-SG 2.89Å; A376-C380 VanDerWaalsContact O-SG 3.38Å; I377-C380 WeakPolarHBondContact O-CB 3.22Å; G378-C380 VanDerWaalsContact C-N 3.28Å; G378-C380 PolarHBondContact O-N 3.17Å; C380-K383 PolarHBondContact O-N 3.38Å; C380-V384 PolarHBondContact O-N 3.15Å; C380-S387 PolarHBondContact O-OG 3.36Å |
| 381 | A | 89.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I377 G378 R379 A388 C391 I417 Y421 | I377-A381 PolarHBondContact O-N 2.72Å; I377-A381 VanDerWaalsContact O-N 3.13Å; G378-A381 WeakPolarHBondContact O-CB 3.48Å; G378-A381 PolarHBondContact O-N 3.27Å; G378-A381 VanDerWaalsContact O-N 3.09Å; R379-A381 PolarHBondContact O-N 3.23Å; A381-A388 HydrophobicContact CB-CB 4.27Å; A381-C391 HydrophobicContact CB-CB 3.64Å; A381-I417 HydrophobicContact CB-CD1 3.82Å; A381-I417 HydrophobicContact CB-CG1 4.06Å; A381-Y421 PolarHBondContact O-OH 3.45Å |
| 382 | I | 87.5 | Confident | 89.8 | Confident | 26 Ų | 26 | 41 Ų | 41 | 13% | 0.133 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.2 | -35.3 | -180 | -65.2 | 159.9 | 0 | 0 | 0 | 111.4 | G378 R379 D416 K420 I548 | G378-I382 WeakPolarHBondContact O-CG1 3.21Å; G378-I382 PolarHBondContact O-N 3.05Å; G378-I382 VanDerWaalsContact O-N 3.13Å; R379-I382 PolarHBondContact O-N 3.49Å; I382-D416 HydrophobicContact CD1-CB 4.33Å; I382-K420 HydrophobicContact CG1-CB 4.47Å; I382-K420 HydrophobicContact CG2-CD 4.43Å; I382-K420 HydrophobicContact CG2-CG 4.27Å; I382-I548 HydrophobicContact CD1-CD1 3.71Å; I382-I548 HydrophobicContact CG1-CD1 4.23Å; I382-I548 HydrophobicContact CG2-CD1 4.48Å; I382-I548 HydrophobicContact CG2-CG1 4.43Å |
| 383 | K | 85.6 | Confident | 89.8 | Confident | 65 Ų | 65 | 38.6 Ų | 38.6 | 28% | 0.283 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -75.2 | -42.2 | -179.7 | -176.8 | -175.9 | -152.2 | 120 | 0 | 113.4 | I343 A346 R379 C380 E550 | I343-K383 WeakPolarHBondContact O-CE 3.43Å; I343-K383 PolarHBondContact O-NZ 3.44Å; A346-K383 HydrophobicContact CB-CD 4.41Å; R379-K383 VanDerWaalsContact O-CB 3.29Å; R379-K383 WeakPolarHBondContact O-CB 3.27Å; R379-K383 PolarHBondContact O-N 3.15Å; C380-K383 PolarHBondContact O-N 3.38Å; K383-E550 WeakPolarHBondContact CD-OE2 3.42Å; K383-E550 VanDerWaalsContact CE-OE2 3.31Å; K383-E550 WeakPolarHBondContact CE-OE2 3.43Å; K383-E550 WeakPolarHBondContact CG-OE2 3.28Å; K383-E550 VanDerWaalsContact NZ-CD 3.28Å; K383-E550 IonicContact NZ-OE1 3.21Å; K383-E550 PolarHBondContact NZ-OE1 2.88Å; K383-E550 IonicContact NZ-OE2 3.36Å; K383-E550 PolarHBondContact NZ-OE2 2.79Å |
| 384 | V | 85.5 | Confident | 89.7 | Confident | 16 Ų | 16 | 39.2 Ų | 39.2 | 10% | 0.097 | 18% | 0.182 | C | C | . | . | trans | -126.6 | 90.6 | -169.6 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | C380 Q386 S387 A388 | C380-V384 PolarHBondContact O-N 3.15Å; V384-Q386 VanDerWaalsContact C-N 3.27Å; V384-Q386 PolarHBondContact O-N 3.05Å; V384-Q386 VanDerWaalsContact O-N 3.16Å; V384-S387 WeakPolarHBondContact O-CA 3.43Å; V384-S387 WeakPolarHBondContact O-CB 3.31Å; V384-S387 PolarHBondContact O-N 2.98Å; V384-S387 PolarHBondContact O-OG 3.46Å; V384-A388 PolarHBondContact O-N 3.08Å | ||
| 385 | E | 85.7 | Confident | 89.6 | Confident | 110 Ų | 110 | 39.2 Ų | 39.2 | 51% | 0.514 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -53.6 | -40.2 | -173.6 | -178.9 | 171.1 | -156.2 | 0 | 0 | 113.3 | S387 A388 Y421 K424 | E385-S387 PolarHBondContact O-N 3.1Å; E385-A388 WeakPolarHBondContact O-CB 3.43Å; E385-A388 PolarHBondContact O-N 3.3Å; E385-Y421 WeakPolarHBondContact CA-OH 3.37Å; E385-Y421 HydrophobicContact CB-CE1 4.28Å; E385-Y421 WeakPolarHBondContact CB-OH 3.42Å; E385-Y421 HydrophobicContact CG-CE1 3.74Å; E385-K424 IonicContact OE1-NZ 2.72Å; E385-K424 PolarHBondContact OE1-NZ 2.68Å |
| 386 | Q | 85.7 | Confident | 89.6 | Confident | 144 Ų | 144 | 37.8 Ų | 37.8 | 67% | 0.673 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -66.1 | -9.3 | 178.4 | -59.2 | -176.7 | 17.3 | 0 | 0 | 113.7 | Q348 V384 | Q348-Q386 VanDerWaalsContact CD-OE1 3.31Å; V384-Q386 VanDerWaalsContact C-N 3.27Å; V384-Q386 PolarHBondContact O-N 3.05Å; V384-Q386 VanDerWaalsContact O-N 3.16Å |
| 387 | S | 88.1 | Confident | 89.6 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -101.4 | -15.4 | 173.4 | 77.5 | 0 | 0 | 0 | 0 | 113.8 | C380 V384 E385 E389 R390 C391 | C380-S387 PolarHBondContact O-OG 3.36Å; V384-S387 WeakPolarHBondContact O-CA 3.43Å; V384-S387 WeakPolarHBondContact O-CB 3.31Å; V384-S387 PolarHBondContact O-N 2.98Å; V384-S387 PolarHBondContact O-OG 3.46Å; E385-S387 PolarHBondContact O-N 3.1Å; S387-E389 VanDerWaalsContact C-N 3.26Å; S387-E389 PolarHBondContact O-N 3.13Å; S387-R390 WeakPolarHBondContact O-CA 3.5Å; S387-R390 WeakPolarHBondContact O-CB 3.33Å; S387-R390 PolarHBondContact O-N 3.02Å; S387-C391 PolarHBondContact O-N 3Å |
| 388 | A | 88.6 | Confident | 89.5 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.3 | -43.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A381 V384 E385 R390 C391 V392 Y421 | A381-A388 HydrophobicContact CB-CB 4.27Å; V384-A388 PolarHBondContact O-N 3.08Å; E385-A388 WeakPolarHBondContact O-CB 3.43Å; E385-A388 PolarHBondContact O-N 3.3Å; A388-R390 VanDerWaalsContact C-N 3.31Å; A388-R390 PolarHBondContact O-N 2.86Å; A388-C391 PolarHBondContact O-N 3.24Å; A388-V392 WeakPolarHBondContact O-CG2 3.38Å; A388-V392 PolarHBondContact O-N 3.47Å; A388-Y421 HydrophobicContact CB-CD2 4.3Å; A388-Y421 HydrophobicContact CB-CE2 3.89Å |
| 389 | E | 89.9 | Confident | 89.5 | Confident | 121 Ų | 121 | 41 Ų | 41 | 57% | 0.565 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -52.1 | -46.1 | 173.6 | -158.6 | 65 | -146.8 | 0 | 0 | 113.2 | S387 S393 Y425 | S387-E389 VanDerWaalsContact C-N 3.26Å; S387-E389 PolarHBondContact O-N 3.13Å; E389-S393 WeakPolarHBondContact O-CB 3.25Å; E389-S393 PolarHBondContact O-N 3.27Å; E389-Y425 PolarHBondContact N-OH 3.06Å; E389-Y425 WeakPolarHBondContact OE2-CE1 3.41Å; E389-Y425 PolarHBondContact OE2-OH 2.71Å |
| 390 | R | 90.6 | Very high | 89.5 | Confident | 138 Ų | 138 | 45.1 Ų | 45.1 | 52% | 0.521 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -75.2 | -36.5 | -177.9 | -58.4 | -178.6 | -177.1 | 171.6 | 1.9 | 111.1 | L355 S387 A388 T394 | L355-R390 HydrophobicContact CD2-CB 3.61Å; S387-R390 WeakPolarHBondContact O-CA 3.5Å; S387-R390 WeakPolarHBondContact O-CB 3.33Å; S387-R390 PolarHBondContact O-N 3.02Å; A388-R390 VanDerWaalsContact C-N 3.31Å; A388-R390 PolarHBondContact O-N 2.86Å; R390-T394 VanDerWaalsContact O-CB 3.32Å; R390-T394 WeakPolarHBondContact O-CB 3.24Å; R390-T394 PolarHBondContact O-N 3.24Å; R390-T394 PolarHBondContact O-OG1 3.47Å |
| 391 | C | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 173.3 | -67.2 | 0 | 0 | 0 | 0 | 110.9 | I377 A381 S387 A388 T394 L395 | I377-C391 HydrophobicContact CG2-CB 3.79Å; A381-C391 HydrophobicContact CB-CB 3.64Å; S387-C391 PolarHBondContact O-N 3Å; A388-C391 PolarHBondContact O-N 3.24Å; C391-T394 PolarHBondContact O-N 2.98Å; C391-T394 VanDerWaalsContact O-N 3.11Å; C391-L395 VanDerWaalsContact O-CG 3.27Å; C391-L395 WeakPolarHBondContact O-CG 3.48Å; C391-L395 PolarHBondContact O-N 3.37Å |
| 392 | V | 92 | Very high | 89.3 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 175.3 | 172 | 0 | 0 | 0 | 0 | 111.1 | A388 T394 L395 L396 I417 Y425 V428 | A388-V392 WeakPolarHBondContact O-CG2 3.38Å; A388-V392 PolarHBondContact O-N 3.47Å; V392-T394 VanDerWaalsContact C-N 3.27Å; V392-T394 PolarHBondContact O-N 2.97Å; V392-L395 PolarHBondContact O-N 3.44Å; V392-L396 HydrophobicContact CG1-CD1 4.47Å; V392-L396 WeakPolarHBondContact O-CG 3.29Å; V392-L396 PolarHBondContact O-N 3.01Å; V392-I417 HydrophobicContact CG2-CD1 4.3Å; V392-I417 HydrophobicContact CG2-CG2 4.1Å; V392-Y425 HydrophobicContact CB-CD1 4.41Å; V392-Y425 HydrophobicContact CB-CE1 4.47Å; V392-Y425 HydrophobicContact CG1-CD1 4.02Å; V392-Y425 HydrophobicContact CG1-CG 4.41Å; V392-Y425 HydrophobicContact CG2-CD1 4.26Å; V392-Y425 HydrophobicContact CG2-CD2 4.21Å; V392-Y425 HydrophobicContact CG2-CE1 4.36Å; V392-Y425 HydrophobicContact CG2-CE2 4.29Å; V392-Y425 HydrophobicContact CG2-CG 4.22Å; V392-V428 HydrophobicContact CG1-CG2 3.76Å |
| 393 | S | 91.8 | Very high | 89.4 | Confident | 62 Ų | 62 | 56.3 Ų | 56.3 | 43% | 0.434 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.6 | -36.5 | 173.2 | -174.4 | 0 | 0 | 0 | 0 | 112.7 | E389 D397 | E389-S393 WeakPolarHBondContact O-CB 3.25Å; E389-S393 PolarHBondContact O-N 3.27Å; S393-D397 PolarHBondContact O-N 3.31Å |
| 394 | T | 92.6 | Very high | 89.5 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.1 | -36.1 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | L355 K359 I377 R390 C391 V392 D397 L398 | L355-T394 HydrophobicContact CD1-CG2 4.07Å; K359-T394 HydrophobicContact CB-CG2 4.05Å; K359-T394 HydrophobicContact CD-CG2 3.83Å; K359-T394 HydrophobicContact CG-CG2 3.82Å; I377-T394 HydrophobicContact CD1-CG2 4.12Å; R390-T394 VanDerWaalsContact O-CB 3.32Å; R390-T394 WeakPolarHBondContact O-CB 3.24Å; R390-T394 PolarHBondContact O-N 3.24Å; R390-T394 PolarHBondContact O-OG1 3.47Å; C391-T394 PolarHBondContact O-N 2.98Å; C391-T394 VanDerWaalsContact O-N 3.11Å; V392-T394 VanDerWaalsContact C-N 3.27Å; V392-T394 PolarHBondContact O-N 2.97Å; T394-D397 PolarHBondContact O-N 3.19Å; T394-L398 HydrophobicContact CG2-CD1 4.37Å; T394-L398 VanDerWaalsContact O-CG 3.28Å; T394-L398 WeakPolarHBondContact O-CG 3.35Å; T394-L398 PolarHBondContact O-N 3.14Å |
| 395 | L | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.6 | -37.2 | 174.1 | -68 | 165 | 0 | 0 | 0 | 111.4 | V374 I377 C391 V392 L398 I399 A410 V413 I414 I417 | V374-L395 HydrophobicContact CG1-CD2 3.72Å; I377-L395 HydrophobicContact CB-CD2 4.39Å; I377-L395 HydrophobicContact CG2-CD1 4.23Å; I377-L395 HydrophobicContact CG2-CD2 4.09Å; I377-L395 HydrophobicContact CG2-CG 3.91Å; C391-L395 VanDerWaalsContact O-CG 3.27Å; C391-L395 WeakPolarHBondContact O-CG 3.48Å; C391-L395 PolarHBondContact O-N 3.37Å; V392-L395 PolarHBondContact O-N 3.44Å; L395-L398 PolarHBondContact O-N 3.47Å; L395-I399 WeakPolarHBondContact O-CD1 3.18Å; L395-I399 VanDerWaalsContact O-CG1 3.28Å; L395-I399 WeakPolarHBondContact O-CG1 3.41Å; L395-I399 PolarHBondContact O-N 3.38Å; L395-A410 HydrophobicContact CD2-CB 4.13Å; L395-V413 HydrophobicContact CD1-CG1 3.64Å; L395-V413 HydrophobicContact CD2-CG1 4.34Å; L395-I414 HydrophobicContact CB-CD1 4.3Å; L395-I414 HydrophobicContact CD1-CG1 4.12Å; L395-I417 HydrophobicContact CD1-CD1 3.69Å |
| 396 | L | 91.7 | Very high | 90 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 20% | 0.199 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 170.7 | -77.7 | 172.8 | 0 | 0 | 0 | 112 | V392 L398 I399 Q400 V428 | V392-L396 HydrophobicContact CG1-CD1 4.47Å; V392-L396 WeakPolarHBondContact O-CG 3.29Å; V392-L396 PolarHBondContact O-N 3.01Å; L396-L398 VanDerWaalsContact C-N 3.26Å; L396-L398 PolarHBondContact O-N 3.08Å; L396-I399 PolarHBondContact O-N 3.41Å; L396-Q400 WeakPolarHBondContact O-CG 3.45Å; L396-Q400 PolarHBondContact O-N 3.3Å; L396-V428 HydrophobicContact CD1-CG2 4.21Å; L396-V428 HydrophobicContact CD2-CG1 4.02Å; L396-V428 HydrophobicContact CD2-CG2 4.26Å; L396-V428 HydrophobicContact CG-CG2 4.41Å |
| 397 | D | 91.6 | Very high | 90.2 | Very high | 65 Ų | 65 | 47.7 Ų | 47.7 | 35% | 0.348 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58 | -40.2 | 175.2 | -71.3 | -3.3 | 0 | 0 | 0 | 111.6 | K359 S393 T394 Q400 T401 | K359-D397 IonicContact NZ-OD2 2.7Å; K359-D397 PolarHBondContact NZ-OD2 3.39Å; S393-D397 PolarHBondContact O-N 3.31Å; T394-D397 PolarHBondContact O-N 3.19Å; D397-Q400 PolarHBondContact O-N 2.89Å; D397-T401 PolarHBondContact O-N 3.14Å |
| 398 | L | 91 | Very high | 90.4 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.4 | -39.7 | 177.3 | -72.9 | 169.5 | 0 | 0 | 0 | 112 | A362 V374 I377 T394 L395 L396 Q400 T401 V406 | A362-L398 HydrophobicContact CB-CD1 3.87Å; A362-L398 HydrophobicContact CB-CD2 3.84Å; V374-L398 HydrophobicContact CG2-CD1 4.3Å; I377-L398 HydrophobicContact CD1-CD1 3.89Å; T394-L398 HydrophobicContact CG2-CD1 4.37Å; T394-L398 VanDerWaalsContact O-CG 3.28Å; T394-L398 WeakPolarHBondContact O-CG 3.35Å; T394-L398 PolarHBondContact O-N 3.14Å; L395-L398 PolarHBondContact O-N 3.47Å; L396-L398 VanDerWaalsContact C-N 3.26Å; L396-L398 PolarHBondContact O-N 3.08Å; L398-Q400 VanDerWaalsContact C-N 3.3Å; L398-Q400 PolarHBondContact O-N 3.13Å; L398-T401 WeakPolarHBondContact O-CB 3.4Å; L398-T401 WeakPolarHBondContact O-CG2 3.41Å; L398-T401 PolarHBondContact O-N 2.98Å; L398-T401 VanDerWaalsContact O-N 3.15Å; L398-T401 PolarHBondContact O-OG1 3.13Å; L398-V406 HydrophobicContact CB-CG1 3.85Å; L398-V406 HydrophobicContact CD2-CG1 4.41Å |
| 399 | I | 90.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 173.7 | -71.3 | 161 | 0 | 0 | 0 | 110.8 | L395 L396 T401 K402 V407 A410 I414 T431 L432 | L395-I399 WeakPolarHBondContact O-CD1 3.18Å; L395-I399 VanDerWaalsContact O-CG1 3.28Å; L395-I399 WeakPolarHBondContact O-CG1 3.41Å; L395-I399 PolarHBondContact O-N 3.38Å; L396-I399 PolarHBondContact O-N 3.41Å; I399-T401 PolarHBondContact O-N 3.17Å; I399-T401 VanDerWaalsContact O-N 3.14Å; I399-K402 PolarHBondContact O-N 3.46Å; I399-V407 HydrophobicContact CG2-CG1 4.4Å; I399-V407 HydrophobicContact CG2-CG2 4.38Å; I399-A410 HydrophobicContact CD1-CB 3.99Å; I399-A410 HydrophobicContact CG1-CB 3.87Å; I399-I414 HydrophobicContact CD1-CD1 3.71Å; I399-T431 HydrophobicContact CG2-CG2 4.49Å; I399-L432 HydrophobicContact CD1-CD2 3.75Å |
| 400 | Q | 89.1 | Confident | 90.7 | Very high | 133 Ų | 133 | 43 Ų | 43 | 62% | 0.621 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.5 | 176.5 | -71.3 | 174.5 | 31.5 | 0 | 0 | 114.1 | L396 D397 L398 K402 | L396-Q400 WeakPolarHBondContact O-CG 3.45Å; L396-Q400 PolarHBondContact O-N 3.3Å; D397-Q400 PolarHBondContact O-N 2.89Å; L398-Q400 VanDerWaalsContact C-N 3.3Å; L398-Q400 PolarHBondContact O-N 3.13Å; Q400-K402 PolarHBondContact O-N 3.33Å |
| 401 | T | 88.3 | Confident | 90.7 | Very high | 72 Ų | 72 | 36.4 Ų | 36.4 | 44% | 0.442 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18 | 171 | 71.4 | 0 | 0 | 0 | 0 | 113.4 | D397 L398 I399 V403 | D397-T401 PolarHBondContact O-N 3.14Å; L398-T401 WeakPolarHBondContact O-CB 3.4Å; L398-T401 WeakPolarHBondContact O-CG2 3.41Å; L398-T401 PolarHBondContact O-N 2.98Å; L398-T401 VanDerWaalsContact O-N 3.15Å; L398-T401 PolarHBondContact O-OG1 3.13Å; I399-T401 PolarHBondContact O-N 3.17Å; I399-T401 VanDerWaalsContact O-N 3.14Å; T401-V403 VanDerWaalsContact C-N 3.25Å; T401-V403 PolarHBondContact O-N 3.43Å |
| 402 | K | 85.6 | Confident | 90.7 | Very high | 141 Ų | 141 | 36.7 Ų | 36.7 | 61% | 0.613 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 33.4 | -176.7 | -56.4 | -158.3 | 173.3 | -135.5 | 0 | 114.6 | I399 Q400 | I399-K402 PolarHBondContact O-N 3.46Å; Q400-K402 PolarHBondContact O-N 3.33Å |
| 403 | V | 88.4 | Confident | 90.7 | Very high | 49 Ų | 49 | 36.4 Ų | 36.4 | 30% | 0.297 | 19% | 0.188 | S | C | . | . | trans | -89.7 | 106.2 | 170.7 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | T401 Y405 V406 V407 | T401-V403 VanDerWaalsContact C-N 3.25Å; T401-V403 PolarHBondContact O-N 3.43Å; V403-Y405 HydrophobicContact CG1-CD1 3.85Å; V403-Y405 HydrophobicContact CG1-CD2 4.23Å; V403-Y405 HydrophobicContact CG1-CE1 3.37Å; V403-Y405 HydrophobicContact CG1-CE2 3.79Å; V403-Y405 HydrophobicContact CG1-CG 4.25Å; V403-Y405 PolarHBondContact O-N 3.09Å; V403-V406 HydrophobicContact CB-CB 4.19Å; V403-V406 HydrophobicContact CB-CG2 3.91Å; V403-V406 HydrophobicContact CG1-CB 4.43Å; V403-V406 HydrophobicContact CG1-CG2 3.75Å; V403-V406 WeakPolarHBondContact O-CA 3.47Å; V403-V406 WeakPolarHBondContact O-CB 3.37Å; V403-V406 PolarHBondContact O-N 2.92Å; V403-V407 PolarHBondContact O-N 2.97Å | ||
| 404 | N | 89.3 | Confident | 90.7 | Very high | 77 Ų | 77 | 33.5 Ų | 33.5 | 41% | 0.412 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -44.9 | -54.1 | -169.4 | -64.4 | 21.1 | 0 | 0 | 0 | 114.2 | V406 V407 Q408 | N404-V406 PolarHBondContact O-N 3.47Å; N404-V407 WeakPolarHBondContact O-CB 3.29Å; N404-V407 PolarHBondContact O-N 3.11Å; N404-V407 VanDerWaalsContact O-N 3.1Å; N404-Q408 WeakPolarHBondContact O-CB 3.22Å; N404-Q408 VanDerWaalsContact O-CD 3.29Å; N404-Q408 WeakPolarHBondContact O-CG 3.48Å; N404-Q408 PolarHBondContact O-N 2.65Å |
| 405 | Y | 89 | Confident | 90.5 | Very high | 69 Ų | 69 | 34 Ų | 34 | 27% | 0.271 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.7 | -21.2 | -177.9 | 59.7 | -99.5 | 0 | 0 | 0 | 114.3 | V367 V370 V403 | V367-Y405 HydrophobicContact CG1-CD1 4.46Å; V367-Y405 HydrophobicContact CG1-CD2 3.87Å; V367-Y405 HydrophobicContact CG1-CE2 4.34Å; V367-Y405 HydrophobicContact CG1-CG 3.94Å; V367-Y405 HydrophobicContact CG2-CD1 4.37Å; V367-Y405 HydrophobicContact CG2-CD2 4.43Å; V367-Y405 HydrophobicContact CG2-CE1 4.1Å; V367-Y405 HydrophobicContact CG2-CE2 4.16Å; V370-Y405 HydrophobicContact CB-CE2 4.4Å; V370-Y405 HydrophobicContact CG1-CD2 4.35Å; V370-Y405 HydrophobicContact CG1-CE2 3.96Å; V403-Y405 HydrophobicContact CG1-CD1 3.85Å; V403-Y405 HydrophobicContact CG1-CD2 4.23Å; V403-Y405 HydrophobicContact CG1-CE1 3.37Å; V403-Y405 HydrophobicContact CG1-CE2 3.79Å; V403-Y405 HydrophobicContact CG1-CG 4.25Å; V403-Y405 PolarHBondContact O-N 3.09Å |
| 406 | V | 91.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -79.5 | -44.3 | 172.1 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | V370 V374 L398 V403 N404 Q408 A410 | V370-V406 HydrophobicContact CG1-CG2 3.69Å; V374-V406 HydrophobicContact CG2-CG1 4.12Å; L398-V406 HydrophobicContact CB-CG1 3.85Å; L398-V406 HydrophobicContact CD2-CG1 4.41Å; V403-V406 HydrophobicContact CB-CB 4.19Å; V403-V406 HydrophobicContact CB-CG2 3.91Å; V403-V406 HydrophobicContact CG1-CB 4.43Å; V403-V406 HydrophobicContact CG1-CG2 3.75Å; V403-V406 WeakPolarHBondContact O-CA 3.47Å; V403-V406 WeakPolarHBondContact O-CB 3.37Å; V403-V406 PolarHBondContact O-N 2.92Å; N404-V406 PolarHBondContact O-N 3.47Å; V406-Q408 VanDerWaalsContact C-N 3.34Å; V406-Q408 PolarHBondContact O-N 3.39Å; V406-A410 WeakPolarHBondContact O-CB 3.32Å; V406-A410 PolarHBondContact O-N 3.21Å |
| 407 | V | 91.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 177 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | I399 V403 N404 A410 I411 N435 | I399-V407 HydrophobicContact CG2-CG1 4.4Å; I399-V407 HydrophobicContact CG2-CG2 4.38Å; V403-V407 PolarHBondContact O-N 2.97Å; N404-V407 WeakPolarHBondContact O-CB 3.29Å; N404-V407 PolarHBondContact O-N 3.11Å; N404-V407 VanDerWaalsContact O-N 3.1Å; V407-A410 PolarHBondContact O-N 3.15Å; V407-I411 HydrophobicContact CG1-CD1 3.9Å; V407-I411 WeakPolarHBondContact O-CG1 3.3Å; V407-I411 PolarHBondContact O-N 2.83Å; V407-N435 HydrophobicContact CG1-CB 4.13Å |
| 408 | Q | 91.3 | Very high | 90 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61 | -56.1 | -179.3 | -71.1 | 159.9 | 8.7 | 0 | 0 | 112.3 | N404 V406 A410 I411 V412 S438 L439 D440 A444 | N404-Q408 WeakPolarHBondContact O-CB 3.22Å; N404-Q408 VanDerWaalsContact O-CD 3.29Å; N404-Q408 WeakPolarHBondContact O-CG 3.48Å; N404-Q408 PolarHBondContact O-N 2.65Å; V406-Q408 VanDerWaalsContact C-N 3.34Å; V406-Q408 PolarHBondContact O-N 3.39Å; Q408-A410 VanDerWaalsContact C-N 3.3Å; Q408-A410 PolarHBondContact O-N 3.25Å; Q408-I411 WeakPolarHBondContact O-CB 3.41Å; Q408-I411 PolarHBondContact O-N 2.94Å; Q408-I411 VanDerWaalsContact O-N 3.12Å; Q408-V412 WeakPolarHBondContact O-CG2 3.33Å; Q408-V412 PolarHBondContact O-N 3.26Å; Q408-V412 VanDerWaalsContact O-N 3.11Å; Q408-S438 PolarHBondContact NE2-O 3.46Å; Q408-L439 HydrophobicContact CG-CD2 3.82Å; Q408-D440 PolarHBondContact NE2-OD1 3.07Å; Q408-D440 PolarHBondContact OE1-OD1 3.01Å; Q408-A444 HydrophobicContact CB-CB 3.66Å; Q408-A444 HydrophobicContact CG-CB 4Å |
| 409 | E | 92.7 | Very high | 89.8 | Confident | 24 Ų | 24 | 34.5 Ų | 34.5 | 11% | 0.112 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 176.4 | 178.3 | 68.6 | -118.3 | 0 | 0 | 111.4 | R371 V374 R375 I411 V412 V413 | R371-E409 HydrophobicContact CB-CG 4.22Å; R371-E409 HydrophobicContact CG-CB 4.26Å; R371-E409 HydrophobicContact CG-CG 4.48Å; R371-E409 WeakPolarHBondContact O-CG 3.16Å; V374-E409 HydrophobicContact CB-CB 4.47Å; V374-E409 HydrophobicContact CB-CG 3.79Å; V374-E409 HydrophobicContact CG1-CB 4.19Å; V374-E409 HydrophobicContact CG1-CG 3.71Å; R375-E409 WeakPolarHBondContact CD-OE1 3.31Å; R375-E409 IonicContact NH1-OE1 2.84Å; E409-I411 VanDerWaalsContact C-N 3.28Å; E409-I411 PolarHBondContact O-N 2.8Å; E409-V412 PolarHBondContact O-N 3.13Å; E409-V413 WeakPolarHBondContact O-CB 3.35Å; E409-V413 WeakPolarHBondContact O-CG2 3.38Å; E409-V413 PolarHBondContact O-N 3.37Å |
| 410 | A | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.7 | -36 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V374 L395 I399 V406 V407 Q408 V413 I414 | V374-A410 HydrophobicContact CG1-CB 4.05Å; L395-A410 HydrophobicContact CD2-CB 4.13Å; I399-A410 HydrophobicContact CD1-CB 3.99Å; I399-A410 HydrophobicContact CG1-CB 3.87Å; V406-A410 WeakPolarHBondContact O-CB 3.32Å; V406-A410 PolarHBondContact O-N 3.21Å; V407-A410 PolarHBondContact O-N 3.15Å; Q408-A410 VanDerWaalsContact C-N 3.3Å; Q408-A410 PolarHBondContact O-N 3.25Å; A410-V413 PolarHBondContact O-N 3.33Å; A410-I414 WeakPolarHBondContact O-CB 3.48Å; A410-I414 WeakPolarHBondContact O-CD1 2.77Å; A410-I414 WeakPolarHBondContact O-CG1 3.44Å; A410-I414 PolarHBondContact O-N 3.37Å |
| 411 | I | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.2 | -43.6 | 173.9 | -73.3 | 160.4 | 0 | 0 | 0 | 111.5 | V407 Q408 E409 V413 I414 K415 L432 L439 A447 M448 | V407-I411 HydrophobicContact CG1-CD1 3.9Å; V407-I411 WeakPolarHBondContact O-CG1 3.3Å; V407-I411 PolarHBondContact O-N 2.83Å; Q408-I411 WeakPolarHBondContact O-CB 3.41Å; Q408-I411 PolarHBondContact O-N 2.94Å; Q408-I411 VanDerWaalsContact O-N 3.12Å; E409-I411 VanDerWaalsContact C-N 3.28Å; E409-I411 PolarHBondContact O-N 2.8Å; I411-V413 PolarHBondContact O-N 3.22Å; I411-I414 PolarHBondContact O-N 3.32Å; I411-K415 WeakPolarHBondContact O-CB 3.47Å; I411-K415 PolarHBondContact O-N 3.34Å; I411-L432 HydrophobicContact CG1-CD1 4.35Å; I411-L432 HydrophobicContact CG1-CD2 3.89Å; I411-L439 HydrophobicContact CD1-CD1 4.48Å; I411-L439 HydrophobicContact CD1-CD2 3.73Å; I411-A447 HydrophobicContact CG2-CB 4.01Å; I411-M448 HydrophobicContact CG2-CB 4.13Å |
| 412 | V | 91.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.2 | -36.8 | 174.9 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | R375 Q408 E409 K415 E443 A444 A447 | R375-V412 PolarHBondContact NH1-O 2.79Å; Q408-V412 WeakPolarHBondContact O-CG2 3.33Å; Q408-V412 PolarHBondContact O-N 3.26Å; Q408-V412 VanDerWaalsContact O-N 3.11Å; E409-V412 PolarHBondContact O-N 3.13Å; V412-K415 WeakPolarHBondContact O-CE 3.22Å; V412-K415 PolarHBondContact O-NZ 2.87Å; V412-K415 VanDerWaalsContact O-NZ 3.12Å; V412-E443 HydrophobicContact CG1-CG 3.91Å; V412-E443 VanDerWaalsContact CG1-OE1 3.26Å; V412-E443 WeakPolarHBondContact CG1-OE1 3.42Å; V412-E443 HydrophobicContact CG2-CB 4.35Å; V412-E443 HydrophobicContact CG2-CG 3.96Å; V412-A444 HydrophobicContact CG2-CB 4.1Å; V412-A447 HydrophobicContact CB-CB 4.44Å; V412-A447 HydrophobicContact CG2-CB 4.08Å |
| 413 | V | 91.7 | Very high | 88.9 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.8 | -48.6 | 173.6 | 164.5 | 0 | 0 | 0 | 0 | 112.5 | V374 L395 E409 A410 I411 K415 D416 I417 | V374-V413 HydrophobicContact CG1-CG2 4.39Å; L395-V413 HydrophobicContact CD1-CG1 3.64Å; L395-V413 HydrophobicContact CD2-CG1 4.34Å; E409-V413 WeakPolarHBondContact O-CB 3.35Å; E409-V413 WeakPolarHBondContact O-CG2 3.38Å; E409-V413 PolarHBondContact O-N 3.37Å; A410-V413 PolarHBondContact O-N 3.33Å; I411-V413 PolarHBondContact O-N 3.22Å; V413-K415 VanDerWaalsContact C-N 3.3Å; V413-K415 PolarHBondContact O-N 3.09Å; V413-D416 WeakPolarHBondContact O-CA 3.34Å; V413-D416 PolarHBondContact O-N 3.29Å; V413-I417 HydrophobicContact CG1-CD1 3.83Å; V413-I417 HydrophobicContact CG1-CG1 4.31Å; V413-I417 WeakPolarHBondContact O-CG1 3.31Å; V413-I417 PolarHBondContact O-N 2.81Å |
| 414 | I | 90.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -37.7 | -178 | -71.3 | 161.2 | 0 | 0 | 0 | 110.8 | L395 I399 A410 I411 D416 I417 F418 V428 L432 | L395-I414 HydrophobicContact CB-CD1 4.3Å; L395-I414 HydrophobicContact CD1-CG1 4.12Å; I399-I414 HydrophobicContact CD1-CD1 3.71Å; A410-I414 WeakPolarHBondContact O-CB 3.48Å; A410-I414 WeakPolarHBondContact O-CD1 2.77Å; A410-I414 WeakPolarHBondContact O-CG1 3.44Å; A410-I414 PolarHBondContact O-N 3.37Å; I411-I414 PolarHBondContact O-N 3.32Å; I414-D416 VanDerWaalsContact C-N 3.29Å; I414-D416 PolarHBondContact O-N 3.48Å; I414-I417 PolarHBondContact O-N 3.29Å; I414-F418 HydrophobicContact CG2-CD1 3.85Å; I414-F418 HydrophobicContact CG2-CE1 3.48Å; I414-F418 VanDerWaalsContact CG2-CE1 3.48Å; I414-F418 HydrophobicContact CG2-CE2 4.26Å; I414-F418 HydrophobicContact CG2-CG 4.39Å; I414-F418 HydrophobicContact CG2-CZ 3.74Å; I414-F418 WeakPolarHBondContact O-CB 3.36Å; I414-F418 WeakPolarHBondContact O-CD1 3.44Å; I414-F418 WeakPolarHBondContact O-CG 3.41Å; I414-F418 PolarHBondContact O-N 3.26Å; I414-V428 HydrophobicContact CD1-CG1 4.12Å; I414-V428 HydrophobicContact CG2-CG1 4.24Å; I414-L432 HydrophobicContact CD1-CD2 4.14Å; I414-L432 HydrophobicContact CG2-CD1 4.09Å |
| 415 | K | 89.2 | Confident | 88.4 | Confident | 24 Ų | 24 | 28.3 Ų | 28.3 | 10% | 0.104 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -51.8 | -45.4 | 168.2 | 174.1 | -136.3 | 70.1 | -152.5 | 0 | 111.8 | I411 V412 V413 F418 R419 A447 W450 I451 | I411-K415 WeakPolarHBondContact O-CB 3.47Å; I411-K415 PolarHBondContact O-N 3.34Å; V412-K415 WeakPolarHBondContact O-CE 3.22Å; V412-K415 PolarHBondContact O-NZ 2.87Å; V412-K415 VanDerWaalsContact O-NZ 3.12Å; V413-K415 VanDerWaalsContact C-N 3.3Å; V413-K415 PolarHBondContact O-N 3.09Å; K415-F418 PolarHBondContact O-N 3.34Å; K415-R419 VanDerWaalsContact O-CG 3.3Å; K415-R419 WeakPolarHBondContact O-CG 3.19Å; K415-R419 PolarHBondContact O-N 3.24Å; K415-R419 VanDerWaalsContact O-N 3.12Å; K415-A447 HydrophobicContact CB-CB 4.04Å; K415-A447 HydrophobicContact CD-CB 3.7Å; K415-A447 HydrophobicContact CG-CB 4.14Å; K415-W450 HydrophobicContact CB-CE3 4.33Å; K415-W450 HydrophobicContact CG-CD2 3.98Å; K415-W450 HydrophobicContact CG-CE3 3.53Å; K415-W450 HydrophobicContact CG-CG 4.41Å; K415-W450 HydrophobicContact CG-CZ3 4.1Å; K415-I451 HydrophobicContact CB-CD1 4.32Å; K415-I451 HydrophobicContact CB-CG1 4.4Å |
| 416 | D | 88.7 | Confident | 88 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.043 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -73.8 | -36 | 178.1 | -71.5 | -40.8 | 0 | 0 | 0 | 112.6 | R375 I382 V413 I414 F418 R419 K420 I548 | R375-D416 IonicContact CZ-OD2 2.68Å; R375-D416 IonicContact NH1-OD2 3.72Å; R375-D416 PolarHBondContact NH1-OD2 2.92Å; R375-D416 IonicContact NH2-OD2 3.86Å; R375-D416 PolarHBondContact NH2-OD2 3.22Å; I382-D416 HydrophobicContact CD1-CB 4.33Å; V413-D416 WeakPolarHBondContact O-CA 3.34Å; V413-D416 PolarHBondContact O-N 3.29Å; I414-D416 VanDerWaalsContact C-N 3.29Å; I414-D416 PolarHBondContact O-N 3.48Å; D416-F418 VanDerWaalsContact C-N 3.34Å; D416-F418 PolarHBondContact O-N 3.06Å; D416-R419 WeakPolarHBondContact O-CB 3.43Å; D416-R419 PolarHBondContact O-N 3.34Å; D416-R419 IonicContact OD1-CZ 3.86Å; D416-R419 IonicContact OD1-NH1 2.78Å; D416-R419 PolarHBondContact OD1-NH1 3.44Å; D416-K420 PolarHBondContact O-N 3.26Å; D416-I548 HydrophobicContact CB-CD1 3.86Å; D416-I548 WeakPolarHBondContact O-CD1 3.4Å |
| 417 | I | 88.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 171.1 | -64.2 | 172.9 | 0 | 0 | 0 | 110.9 | A381 V392 L395 V413 I414 R419 K420 Y421 Y425 | A381-I417 HydrophobicContact CB-CD1 3.82Å; A381-I417 HydrophobicContact CB-CG1 4.06Å; V392-I417 HydrophobicContact CG2-CD1 4.3Å; V392-I417 HydrophobicContact CG2-CG2 4.1Å; L395-I417 HydrophobicContact CD1-CD1 3.69Å; V413-I417 HydrophobicContact CG1-CD1 3.83Å; V413-I417 HydrophobicContact CG1-CG1 4.31Å; V413-I417 WeakPolarHBondContact O-CG1 3.31Å; V413-I417 PolarHBondContact O-N 2.81Å; I414-I417 PolarHBondContact O-N 3.29Å; I417-R419 VanDerWaalsContact C-N 3.32Å; I417-R419 PolarHBondContact O-N 3.44Å; I417-K420 PolarHBondContact O-N 3.45Å; I417-Y421 HydrophobicContact CG2-CD2 4.11Å; I417-Y421 PolarHBondContact O-N 3.19Å; I417-Y425 HydrophobicContact CG2-CD2 4.4Å |
| 418 | F | 87.9 | Confident | 87.4 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.8 | -33.7 | 176.5 | -77.8 | 14.8 | 0 | 0 | 0 | 112.4 | I414 K415 D416 K420 Y421 P422 V428 I429 W450 I451 Y455 | I414-F418 HydrophobicContact CG2-CD1 3.85Å; I414-F418 HydrophobicContact CG2-CE1 3.48Å; I414-F418 VanDerWaalsContact CG2-CE1 3.48Å; I414-F418 HydrophobicContact CG2-CE2 4.26Å; I414-F418 HydrophobicContact CG2-CG 4.39Å; I414-F418 HydrophobicContact CG2-CZ 3.74Å; I414-F418 WeakPolarHBondContact O-CB 3.36Å; I414-F418 WeakPolarHBondContact O-CD1 3.44Å; I414-F418 WeakPolarHBondContact O-CG 3.41Å; I414-F418 PolarHBondContact O-N 3.26Å; K415-F418 PolarHBondContact O-N 3.34Å; D416-F418 VanDerWaalsContact C-N 3.34Å; D416-F418 PolarHBondContact O-N 3.06Å; F418-K420 PolarHBondContact O-N 2.97Å; F418-Y421 CarbonylContact O-C 3.51Å; F418-P422 WeakPolarHBondContact O-CA 3.35Å; F418-V428 HydrophobicContact CZ-CB 4.3Å; F418-I429 HydrophobicContact CE2-CD1 4.01Å; F418-I429 HydrophobicContact CE2-CG1 3.7Å; F418-I429 HydrophobicContact CZ-CG1 4Å; F418-W450 HydrophobicContact CB-CH2 4.39Å; F418-W450 HydrophobicContact CB-CZ3 4.17Å; F418-I451 HydrophobicContact CD2-CG1 4.39Å; F418-I451 HydrophobicContact CE2-CG2 4.26Å; F418-Y455 HydrophobicContact CD2-CD2 4.37Å; F418-Y455 AromaticContact CD2-CE2 3.62Å; F418-Y455 HydrophobicContact CD2-CE2 3.62Å; F418-Y455 HydrophobicContact CE2-CE2 4.16Å; F418-Y455 HydrophobicContact CG-CE2 4.47Å |
| 419 | R | 86.6 | Confident | 87.1 | Confident | 106 Ų | 106 | 32.6 Ų | 32.6 | 40% | 0.4 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.3 | -16.8 | 171.8 | -69.8 | 169.1 | 65.9 | -154 | 4.9 | 113.6 | K415 D416 I417 W450 L547 I548 | K415-R419 VanDerWaalsContact O-CG 3.3Å; K415-R419 WeakPolarHBondContact O-CG 3.19Å; K415-R419 PolarHBondContact O-N 3.24Å; K415-R419 VanDerWaalsContact O-N 3.12Å; D416-R419 WeakPolarHBondContact O-CB 3.43Å; D416-R419 PolarHBondContact O-N 3.34Å; D416-R419 IonicContact OD1-CZ 3.86Å; D416-R419 IonicContact OD1-NH1 2.78Å; D416-R419 PolarHBondContact OD1-NH1 3.44Å; I417-R419 VanDerWaalsContact C-N 3.32Å; I417-R419 PolarHBondContact O-N 3.44Å; R419-W450 HydrophobicContact CG-CH2 3.55Å; R419-W450 HydrophobicContact CG-CZ2 3.53Å; R419-W450 HydrophobicContact CG-CZ3 4.33Å; R419-L547 WeakPolarHBondContact O-CD2 3.48Å; R419-I548 HydrophobicContact CB-CD1 4.48Å; R419-I548 HydrophobicContact CB-CG2 4.39Å; R419-I548 VanDerWaalsContact CZ-CG2 3.4Å; R419-I548 VanDerWaalsContact NH2-CG2 3.3Å |
| 420 | K | 86.8 | Confident | 86.8 | Confident | 52 Ų | 52 | 34.3 Ų | 34.3 | 23% | 0.226 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -96.5 | -34.7 | 174 | -170.7 | 58.5 | 164.5 | -174 | 0 | 112.8 | I382 D416 I417 F418 L547 I548 | I382-K420 HydrophobicContact CG1-CB 4.47Å; I382-K420 HydrophobicContact CG2-CD 4.43Å; I382-K420 HydrophobicContact CG2-CG 4.27Å; D416-K420 PolarHBondContact O-N 3.26Å; I417-K420 PolarHBondContact O-N 3.45Å; F418-K420 PolarHBondContact O-N 2.97Å; K420-L547 HydrophobicContact CD-CB 4.41Å; K420-I548 HydrophobicContact CB-CD1 4.49Å; K420-I548 HydrophobicContact CB-CG1 4.1Å; K420-I548 HydrophobicContact CD-CG1 4.34Å; K420-I548 WeakPolarHBondContact CD-O 3.35Å; K420-I548 WeakPolarHBondContact CE-O 3.44Å; K420-I548 PolarHBondContact NZ-O 2.88Å |
| 421 | Y | 86.8 | Confident | 86.4 | Confident | 19 Ų | 19 | 36.1 Ų | 36.1 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -131.1 | 67.9 | -175.1 | -56.4 | -61.3 | 0 | 0 | 0 | 111.4 | A381 E385 A388 I417 F418 K424 | A381-Y421 PolarHBondContact O-OH 3.45Å; E385-Y421 WeakPolarHBondContact CA-OH 3.37Å; E385-Y421 HydrophobicContact CB-CE1 4.28Å; E385-Y421 WeakPolarHBondContact CB-OH 3.42Å; E385-Y421 HydrophobicContact CG-CE1 3.74Å; A388-Y421 HydrophobicContact CB-CD2 4.3Å; A388-Y421 HydrophobicContact CB-CE2 3.89Å; I417-Y421 HydrophobicContact CG2-CD2 4.11Å; I417-Y421 PolarHBondContact O-N 3.19Å; F418-Y421 CarbonylContact O-C 3.51Å; Y421-K424 HydrophobicContact CD1-CD 4.47Å; Y421-K424 HydrophobicContact CG-CD 4.47Å |
| 422 | P | 82.1 | Confident | 86.2 | Confident | 55 Ų | 55 | 36.1 Ų | 36.1 | 36% | 0.357 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 145 | -178.4 | 26.4 | -35.4 | 0 | 0 | 0 | 111.5 | F418 K424 | F418-P422 WeakPolarHBondContact O-CA 3.35Å; P422-K424 PolarHBondContact O-N 3.46Å; P422-K424 VanDerWaalsContact O-N 3.09Å |
| 423 | N | 79.8 | Confident | 85.8 | Confident | 90 Ų | 90 | 37.3 Ų | 37.3 | 48% | 0.481 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 14.5 | 176.8 | -47.1 | -71.4 | 0 | 0 | 0 | 116.5 | E426 Y455 R458 | N423-E426 VanDerWaalsContact CA-OE1 3.28Å; N423-E426 WeakPolarHBondContact CA-OE1 3.49Å; N423-E426 WeakPolarHBondContact CB-OE1 3.41Å; N423-Y455 PolarHBondContact N-OH 2.91Å; N423-R458 PolarHBondContact OD1-NH2 3.45Å |
| 424 | K | 82.9 | Confident | 85.5 | Confident | 108 Ų | 108 | 43.9 Ų | 43.9 | 47% | 0.47 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -89.1 | -35.1 | 174.1 | -67.3 | -161 | -167 | 172.6 | 0 | 114.2 | E385 Y421 P422 | E385-K424 IonicContact OE1-NZ 2.72Å; E385-K424 PolarHBondContact OE1-NZ 2.68Å; Y421-K424 HydrophobicContact CD1-CD 4.47Å; Y421-K424 HydrophobicContact CG-CD 4.47Å; P422-K424 PolarHBondContact O-N 3.46Å; P422-K424 VanDerWaalsContact O-N 3.09Å |
| 425 | Y | 83.4 | Confident | 85.1 | Confident | 19 Ų | 19 | 44.6 Ų | 44.6 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | trans | -120.7 | 30.3 | -160.9 | -69.2 | -61.4 | 0 | 0 | 0 | 114.1 | E389 V392 I417 S427 V428 | E389-Y425 PolarHBondContact N-OH 3.06Å; E389-Y425 WeakPolarHBondContact OE2-CE1 3.41Å; E389-Y425 PolarHBondContact OE2-OH 2.71Å; V392-Y425 HydrophobicContact CB-CD1 4.41Å; V392-Y425 HydrophobicContact CB-CE1 4.47Å; V392-Y425 HydrophobicContact CG1-CD1 4.02Å; V392-Y425 HydrophobicContact CG1-CG 4.41Å; V392-Y425 HydrophobicContact CG2-CD1 4.26Å; V392-Y425 HydrophobicContact CG2-CD2 4.21Å; V392-Y425 HydrophobicContact CG2-CE1 4.36Å; V392-Y425 HydrophobicContact CG2-CE2 4.29Å; V392-Y425 HydrophobicContact CG2-CG 4.22Å; I417-Y425 HydrophobicContact CG2-CD2 4.4Å; Y425-S427 VanDerWaalsContact C-N 3.29Å; Y425-S427 PolarHBondContact O-N 2.84Å; Y425-V428 VanDerWaalsContact O-CB 3.3Å; Y425-V428 WeakPolarHBondContact O-CB 3.36Å; Y425-V428 VanDerWaalsContact O-CG2 3.3Å; Y425-V428 WeakPolarHBondContact O-CG2 3.39Å; Y425-V428 PolarHBondContact O-N 2.96Å; Y425-V428 VanDerWaalsContact O-N 3.17Å | ||
| 426 | E | 80.2 | Confident | 84.7 | Confident | 50 Ų | 50 | 44.5 Ų | 44.5 | 23% | 0.234 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -26.4 | -169.6 | -63.5 | 171.8 | -149.8 | 0 | 0 | 114.7 | N423 V428 I429 Y455 R458 | N423-E426 VanDerWaalsContact CA-OE1 3.28Å; N423-E426 WeakPolarHBondContact CA-OE1 3.49Å; N423-E426 WeakPolarHBondContact CB-OE1 3.41Å; E426-V428 PolarHBondContact O-N 2.84Å; E426-V428 VanDerWaalsContact O-N 3.11Å; E426-I429 HydrophobicContact CB-CD1 4.24Å; E426-I429 HydrophobicContact CG-CD1 4.43Å; E426-I429 VanDerWaalsContact O-CB 3.29Å; E426-I429 WeakPolarHBondContact O-CB 3.29Å; E426-I429 WeakPolarHBondContact O-CG1 3.11Å; E426-I429 PolarHBondContact O-N 3.11Å; E426-Y455 HydrophobicContact CG-CD1 4.43Å; E426-Y455 HydrophobicContact CG-CE1 4.14Å; E426-R458 VanDerWaalsContact CD-CZ 3.47Å; E426-R458 IonicContact OE1-CZ 3.06Å; E426-R458 IonicContact OE1-NE 3.82Å; E426-R458 IonicContact OE1-NH1 2.7Å; E426-R458 PolarHBondContact OE1-NH1 2.82Å; E426-R458 IonicContact OE1-NH2 3.28Å; E426-R458 PolarHBondContact OE1-NH2 2.93Å; E426-R458 WeakPolarHBondContact OE2-CD 3Å; E426-R458 IonicContact OE2-CZ 3.26Å; E426-R458 VanDerWaalsContact OE2-CZ 3.26Å; E426-R458 IonicContact OE2-NE 3.5Å; E426-R458 PolarHBondContact OE2-NE 3.06Å; E426-R458 IonicContact OE2-NH1 2.65Å; E426-R458 PolarHBondContact OE2-NH1 2.83Å |
| 427 | S | 83.5 | Confident | 84.2 | Confident | 104 Ų | 104 | 52.3 Ų | 52.3 | 73% | 0.727 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.3 | -22.1 | 175.6 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | Y425 I429 | Y425-S427 VanDerWaalsContact C-N 3.29Å; Y425-S427 PolarHBondContact O-N 2.84Å; S427-I429 VanDerWaalsContact C-N 3.31Å |
| 428 | V | 86.8 | Confident | 83.9 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.3 | -31.4 | 174.5 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | V392 L396 I414 F418 Y425 E426 A430 T431 L432 | V392-V428 HydrophobicContact CG1-CG2 3.76Å; L396-V428 HydrophobicContact CD1-CG2 4.21Å; L396-V428 HydrophobicContact CD2-CG1 4.02Å; L396-V428 HydrophobicContact CD2-CG2 4.26Å; L396-V428 HydrophobicContact CG-CG2 4.41Å; I414-V428 HydrophobicContact CD1-CG1 4.12Å; I414-V428 HydrophobicContact CG2-CG1 4.24Å; F418-V428 HydrophobicContact CZ-CB 4.3Å; Y425-V428 VanDerWaalsContact O-CB 3.3Å; Y425-V428 WeakPolarHBondContact O-CB 3.36Å; Y425-V428 VanDerWaalsContact O-CG2 3.3Å; Y425-V428 WeakPolarHBondContact O-CG2 3.39Å; Y425-V428 PolarHBondContact O-N 2.96Å; Y425-V428 VanDerWaalsContact O-N 3.17Å; E426-V428 PolarHBondContact O-N 2.84Å; E426-V428 VanDerWaalsContact O-N 3.11Å; V428-A430 VanDerWaalsContact C-N 3.35Å; V428-A430 PolarHBondContact O-N 2.86Å; V428-T431 PolarHBondContact O-N 3.3Å; V428-T431 VanDerWaalsContact O-N 3.12Å; V428-L432 HydrophobicContact CG1-CD1 4.22Å; V428-L432 HydrophobicContact CG1-CD2 4.01Å; V428-L432 HydrophobicContact CG1-CG 3.96Å; V428-L432 WeakPolarHBondContact O-CG 3.25Å; V428-L432 PolarHBondContact O-N 3.25Å |
| 429 | I | 85.7 | Confident | 83.6 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.062 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -42.8 | -169.6 | -63.5 | 171.9 | 0 | 0 | 0 | 111.7 | F418 E426 S427 T431 L432 C433 I451 Y455 I459 | F418-I429 HydrophobicContact CE2-CD1 4.01Å; F418-I429 HydrophobicContact CE2-CG1 3.7Å; F418-I429 HydrophobicContact CZ-CG1 4Å; E426-I429 HydrophobicContact CB-CD1 4.24Å; E426-I429 HydrophobicContact CG-CD1 4.43Å; E426-I429 VanDerWaalsContact O-CB 3.29Å; E426-I429 WeakPolarHBondContact O-CB 3.29Å; E426-I429 WeakPolarHBondContact O-CG1 3.11Å; E426-I429 PolarHBondContact O-N 3.11Å; S427-I429 VanDerWaalsContact C-N 3.31Å; I429-T431 VanDerWaalsContact C-N 3.34Å; I429-T431 PolarHBondContact O-N 2.71Å; I429-L432 WeakPolarHBondContact O-CB 3.4Å; I429-L432 PolarHBondContact O-N 3.08Å; I429-L432 VanDerWaalsContact O-N 3.07Å; I429-C433 PolarHBondContact O-N 3.32Å; I429-C433 PolarHBondContact O-SG 3.06Å; I429-C433 VanDerWaalsContact O-SG 3.34Å; I429-I451 HydrophobicContact CG1-CG2 4.25Å; I429-I451 HydrophobicContact CG2-CG2 4.4Å; I429-Y455 HydrophobicContact CD1-CD1 3.94Å; I429-Y455 HydrophobicContact CD1-CD2 3.98Å; I429-Y455 HydrophobicContact CD1-CG 3.64Å; I429-I459 HydrophobicContact CG2-CD1 3.8Å; I429-I459 HydrophobicContact CG2-CG1 3.96Å |
| 430 | A | 85.4 | Confident | 83.6 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 50% | 0.504 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V428 L432 C433 E434 | V428-A430 VanDerWaalsContact C-N 3.35Å; V428-A430 PolarHBondContact O-N 2.86Å; A430-L432 VanDerWaalsContact C-N 3.29Å; A430-L432 PolarHBondContact O-N 3.26Å; A430-C433 WeakPolarHBondContact O-CB 3.16Å; A430-C433 PolarHBondContact O-N 3.44Å; A430-C433 VanDerWaalsContact O-N 3.17Å; A430-E434 WeakPolarHBondContact O-CG 3.38Å; A430-E434 PolarHBondContact O-N 3.12Å |
| 431 | T | 85.7 | Confident | 83.8 | Confident | 37 Ų | 37 | 54 Ų | 54 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.5 | -25.4 | 176.9 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | I399 V428 I429 N435 | I399-T431 HydrophobicContact CG2-CG2 4.49Å; V428-T431 PolarHBondContact O-N 3.3Å; V428-T431 VanDerWaalsContact O-N 3.12Å; I429-T431 VanDerWaalsContact C-N 3.34Å; I429-T431 PolarHBondContact O-N 2.71Å; T431-N435 PolarHBondContact O-ND2 2.69Å |
| 432 | L | 85.9 | Confident | 84 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.3 | -41.8 | 170.4 | -56.2 | -170.5 | 0 | 0 | 0 | 111.4 | I399 I411 I414 V428 I429 A430 E434 N435 M448 I451 | I399-L432 HydrophobicContact CD1-CD2 3.75Å; I411-L432 HydrophobicContact CG1-CD1 4.35Å; I411-L432 HydrophobicContact CG1-CD2 3.89Å; I414-L432 HydrophobicContact CD1-CD2 4.14Å; I414-L432 HydrophobicContact CG2-CD1 4.09Å; V428-L432 HydrophobicContact CG1-CD1 4.22Å; V428-L432 HydrophobicContact CG1-CD2 4.01Å; V428-L432 HydrophobicContact CG1-CG 3.96Å; V428-L432 WeakPolarHBondContact O-CG 3.25Å; V428-L432 PolarHBondContact O-N 3.25Å; I429-L432 WeakPolarHBondContact O-CB 3.4Å; I429-L432 PolarHBondContact O-N 3.08Å; I429-L432 VanDerWaalsContact O-N 3.07Å; A430-L432 VanDerWaalsContact C-N 3.29Å; A430-L432 PolarHBondContact O-N 3.26Å; L432-E434 VanDerWaalsContact C-N 3.32Å; L432-E434 PolarHBondContact O-N 3.01Å; L432-N435 PolarHBondContact O-N 2.87Å; L432-N435 VanDerWaalsContact O-N 3.11Å; L432-M448 HydrophobicContact CB-CE 3.8Å; L432-M448 HydrophobicContact CB-SD 3.89Å; L432-M448 HydrophobicContact CD1-SD 4.47Å; L432-I451 HydrophobicContact CD1-CD1 3.66Å |
| 433 | C | 84.1 | Confident | 84.4 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 175.9 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | I429 A430 N435 L436 M448 | I429-C433 PolarHBondContact O-N 3.32Å; I429-C433 PolarHBondContact O-SG 3.06Å; I429-C433 VanDerWaalsContact O-SG 3.34Å; A430-C433 WeakPolarHBondContact O-CB 3.16Å; A430-C433 PolarHBondContact O-N 3.44Å; A430-C433 VanDerWaalsContact O-N 3.17Å; C433-N435 PolarHBondContact O-N 2.96Å; C433-L436 HydrophobicContact CB-CD1 4.22Å; C433-L436 WeakPolarHBondContact O-CD1 3.31Å; C433-L436 WeakPolarHBondContact O-CG 3.29Å; C433-L436 PolarHBondContact O-N 3.23Å; C433-M448 HydrophobicContact CB-CE 4.32Å; C433-M448 VanDerWaalsContact SG-CE 3.57Å |
| 434 | E | 84.5 | Confident | 85 | Confident | 140 Ų | 140 | 53.3 Ų | 53.3 | 65% | 0.654 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -12.9 | 174.2 | -73.7 | 174.4 | -171.7 | 0 | 0 | 115 | A430 L432 | A430-E434 WeakPolarHBondContact O-CG 3.38Å; A430-E434 PolarHBondContact O-N 3.12Å; L432-E434 VanDerWaalsContact C-N 3.32Å; L432-E434 PolarHBondContact O-N 3.01Å |
| 435 | N | 82.6 | Confident | 85.4 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 14.8 | -178.3 | -64.4 | -83.6 | 0 | 0 | 0 | 113.3 | V407 T431 L432 C433 D437 S438 | V407-N435 HydrophobicContact CG1-CB 4.13Å; T431-N435 PolarHBondContact O-ND2 2.69Å; L432-N435 PolarHBondContact O-N 2.87Å; L432-N435 VanDerWaalsContact O-N 3.11Å; C433-N435 PolarHBondContact O-N 2.96Å; N435-D437 VanDerWaalsContact C-N 3.28Å; N435-D437 PolarHBondContact O-N 3.21Å; N435-S438 WeakPolarHBondContact O-CB 3.33Å; N435-S438 PolarHBondContact O-N 3.04Å; N435-S438 PolarHBondContact O-OG 2.83Å |
| 436 | L | 80.1 | Confident | 85.8 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -52.7 | -41.6 | 177.1 | -83.2 | 162.3 | 0 | 0 | 0 | 113.4 | C433 S438 L439 M448 L465 F469 | C433-L436 HydrophobicContact CB-CD1 4.22Å; C433-L436 WeakPolarHBondContact O-CD1 3.31Å; C433-L436 WeakPolarHBondContact O-CG 3.29Å; C433-L436 PolarHBondContact O-N 3.23Å; L436-S438 PolarHBondContact O-N 2.88Å; L436-L439 HydrophobicContact CD2-CD1 4.22Å; L436-L439 WeakPolarHBondContact O-CB 3.22Å; L436-L439 WeakPolarHBondContact O-CG 3.35Å; L436-L439 PolarHBondContact O-N 3.11Å; L436-L439 VanDerWaalsContact O-N 3.16Å; L436-M448 HydrophobicContact CD1-CE 4.4Å; L436-M448 HydrophobicContact CD2-CE 3.97Å; L436-M448 HydrophobicContact CD2-CG 3.51Å; L436-M448 HydrophobicContact CG-CE 4.11Å; L436-L465 HydrophobicContact CD1-CD1 3.96Å; L436-L465 HydrophobicContact CD1-CD2 3.65Å; L436-L465 HydrophobicContact CD1-CG 4.36Å; L436-F469 HydrophobicContact CD2-CE2 3.89Å; L436-F469 HydrophobicContact CD2-CZ 3.76Å |
| 437 | D | 80.1 | Confident | 86.4 | Confident | 171 Ų | 171 | 48.3 Ų | 48.3 | 91% | 0.914 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -61.5 | -14.9 | 179.2 | -56.9 | -15.1 | 0 | 0 | 0 | 114 | N435 | N435-D437 VanDerWaalsContact C-N 3.28Å; N435-D437 PolarHBondContact O-N 3.21Å |
| 438 | S | 80.4 | Confident | 86.8 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -92 | 2.5 | -179.5 | 73.7 | 0 | 0 | 0 | 0 | 114.3 | Q408 N435 L436 | Q408-S438 PolarHBondContact NE2-O 3.46Å; N435-S438 WeakPolarHBondContact O-CB 3.33Å; N435-S438 PolarHBondContact O-N 3.04Å; N435-S438 PolarHBondContact O-OG 2.83Å; L436-S438 PolarHBondContact O-N 2.88Å |
| 439 | L | 82.9 | Confident | 87 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | trans | -95.1 | 103.5 | -176 | -53.7 | -176.9 | 0 | 0 | 0 | 111.3 | Q408 I411 L436 A444 R445 M448 | Q408-L439 HydrophobicContact CG-CD2 3.82Å; I411-L439 HydrophobicContact CD1-CD1 4.48Å; I411-L439 HydrophobicContact CD1-CD2 3.73Å; L436-L439 HydrophobicContact CD2-CD1 4.22Å; L436-L439 WeakPolarHBondContact O-CB 3.22Å; L436-L439 WeakPolarHBondContact O-CG 3.35Å; L436-L439 PolarHBondContact O-N 3.11Å; L436-L439 VanDerWaalsContact O-N 3.16Å; L439-A444 HydrophobicContact CD2-CB 4.25Å; L439-R445 HydrophobicContact CB-CG 3.85Å; L439-R445 PolarHBondContact O-NE 3.41Å; L439-R445 PolarHBondContact O-NH2 2.93Å; L439-M448 HydrophobicContact CD1-CB 3.84Å; L439-M448 HydrophobicContact CD1-CG 4.05Å | ||
| 440 | D | 86.1 | Confident | 87.3 | Confident | 108 Ų | 108 | 44 Ų | 44 | 58% | 0.578 | 24% | 0.237 | S | C | * | . | trans | -98.3 | -32 | 166.9 | 51 | 15.1 | 0 | 0 | 0 | 112.3 | Q408 | Q408-D440 PolarHBondContact NE2-OD1 3.07Å; Q408-D440 PolarHBondContact OE1-OD1 3.01Å | ||
| 441 | E | 89.9 | Confident | 87.6 | Confident | 60 Ų | 60 | 41 Ų | 41 | 28% | 0.28 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -75.3 | 138.5 | -177 | -73.5 | -159.2 | 160.4 | 0 | 0 | 115.9 | R371 E443 A444 R445 | R371-E441 IonicContact CZ-OE1 3.7Å; R371-E441 VanDerWaalsContact CZ-OE1 3.24Å; R371-E441 IonicContact CZ-OE2 3.56Å; R371-E441 IonicContact NH1-OE1 3.63Å; R371-E441 PolarHBondContact NH1-OE1 2.92Å; R371-E441 IonicContact NH1-OE2 3.69Å; R371-E441 PolarHBondContact NH1-OE2 2.89Å; R371-E441 VanDerWaalsContact NH2-CD 3.27Å; R371-E441 IonicContact NH2-OE1 3.04Å; R371-E441 PolarHBondContact NH2-OE1 2.86Å; R371-E441 IonicContact NH2-OE2 3.16Å; E441-E443 PolarHBondContact O-N 3.13Å; E441-A444 HydrophobicContact CB-CB 4.37Å; E441-A444 PolarHBondContact O-N 3.02Å; E441-R445 WeakPolarHBondContact O-CB 3.32Å; E441-R445 WeakPolarHBondContact O-CG 3.48Å; E441-R445 PolarHBondContact O-N 2.92Å |
| 442 | P | 90.9 | Very high | 87.8 | Confident | 57 Ų | 57 | 39.3 Ų | 39.3 | 37% | 0.37 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.6 | -32.8 | -176.4 | 26.9 | -34.8 | 0 | 0 | 0 | 113.8 | A446 S477 V480 | P442-A446 VanDerWaalsContact O-CB 3.22Å; P442-A446 WeakPolarHBondContact O-CB 3.35Å; P442-A446 PolarHBondContact O-N 3.4Å; P442-S477 WeakPolarHBondContact CB-OG 3.4Å; P442-V480 HydrophobicContact CB-CG2 3.82Å; P442-V480 VanDerWaalsContact O-CG2 3.3Å; P442-V480 WeakPolarHBondContact O-CG2 3.27Å |
| 443 | E | 91.3 | Very high | 87.9 | Confident | 92 Ų | 92 | 39.2 Ų | 39.2 | 43% | 0.43 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70.9 | -39.3 | 177.5 | -168 | 175.4 | 177.9 | 0 | 0 | 111.3 | V412 E441 A447 | V412-E443 HydrophobicContact CG1-CG 3.91Å; V412-E443 VanDerWaalsContact CG1-OE1 3.26Å; V412-E443 WeakPolarHBondContact CG1-OE1 3.42Å; V412-E443 HydrophobicContact CG2-CB 4.35Å; V412-E443 HydrophobicContact CG2-CG 3.96Å; E441-E443 PolarHBondContact O-N 3.13Å; E443-A447 WeakPolarHBondContact O-CB 3.49Å; E443-A447 PolarHBondContact O-N 3.46Å |
| 444 | A | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.3 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q408 V412 L439 E441 A447 M448 | Q408-A444 HydrophobicContact CB-CB 3.66Å; Q408-A444 HydrophobicContact CG-CB 4Å; V412-A444 HydrophobicContact CG2-CB 4.1Å; L439-A444 HydrophobicContact CD2-CB 4.25Å; E441-A444 HydrophobicContact CB-CB 4.37Å; E441-A444 PolarHBondContact O-N 3.02Å; A444-A447 WeakPolarHBondContact O-CB 3.12Å; A444-A447 PolarHBondContact O-N 2.84Å; A444-M448 WeakPolarHBondContact O-CB 3.41Å; A444-M448 PolarHBondContact O-N 2.61Å |
| 445 | R | 91.7 | Very high | 88.1 | Confident | 63 Ų | 63 | 34.1 Ų | 34.1 | 24% | 0.238 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -50.4 | 171.5 | -75.2 | 175.8 | 157.5 | -149.6 | -11.1 | 111.9 | L439 E441 A447 M448 I449 F469 E476 V480 | L439-R445 HydrophobicContact CB-CG 3.85Å; L439-R445 PolarHBondContact O-NE 3.41Å; L439-R445 PolarHBondContact O-NH2 2.93Å; E441-R445 WeakPolarHBondContact O-CB 3.32Å; E441-R445 WeakPolarHBondContact O-CG 3.48Å; E441-R445 PolarHBondContact O-N 2.92Å; R445-A447 VanDerWaalsContact C-N 3.3Å; R445-A447 PolarHBondContact O-N 3.02Å; R445-M448 PolarHBondContact O-N 2.98Å; R445-M448 VanDerWaalsContact O-N 3.17Å; R445-I449 WeakPolarHBondContact O-CB 3.38Å; R445-I449 VanDerWaalsContact O-CG1 3.3Å; R445-I449 WeakPolarHBondContact O-CG1 3.48Å; R445-I449 PolarHBondContact O-N 2.89Å; R445-F469 HydrophobicContact CG-CE1 4.47Å; R445-E476 IonicContact CZ-OE1 3.38Å; R445-E476 IonicContact CZ-OE2 2.66Å; R445-E476 IonicContact NH1-OE1 3.5Å; R445-E476 PolarHBondContact NH1-OE1 3Å; R445-E476 IonicContact NH1-OE2 2.8Å; R445-E476 PolarHBondContact NH1-OE2 3.1Å; R445-V480 HydrophobicContact CB-CG2 4.12Å |
| 446 | A | 92.2 | Very high | 88.3 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | P442 W450 Q479 V480 Q483 | P442-A446 VanDerWaalsContact O-CB 3.22Å; P442-A446 WeakPolarHBondContact O-CB 3.35Å; P442-A446 PolarHBondContact O-N 3.4Å; A446-W450 WeakPolarHBondContact O-CB 3.37Å; A446-W450 PolarHBondContact O-N 3.31Å; A446-Q479 HydrophobicContact CB-CG 4.2Å; A446-V480 HydrophobicContact CB-CG2 4.28Å; A446-Q483 HydrophobicContact CB-CB 4.21Å; A446-Q483 HydrophobicContact CB-CG 4.21Å; A446-Q483 VanDerWaalsContact O-CG 3.25Å; A446-Q483 WeakPolarHBondContact O-CG 3.43Å |
| 447 | A | 92.5 | Very high | 88.4 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 3% | 0.025 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | I411 V412 K415 E443 A444 R445 W450 I451 | I411-A447 HydrophobicContact CG2-CB 4.01Å; V412-A447 HydrophobicContact CB-CB 4.44Å; V412-A447 HydrophobicContact CG2-CB 4.08Å; K415-A447 HydrophobicContact CB-CB 4.04Å; K415-A447 HydrophobicContact CD-CB 3.7Å; K415-A447 HydrophobicContact CG-CB 4.14Å; E443-A447 WeakPolarHBondContact O-CB 3.49Å; E443-A447 PolarHBondContact O-N 3.46Å; A444-A447 WeakPolarHBondContact O-CB 3.12Å; A444-A447 PolarHBondContact O-N 2.84Å; R445-A447 VanDerWaalsContact C-N 3.3Å; R445-A447 PolarHBondContact O-N 3.02Å; A447-W450 WeakPolarHBondContact O-CB 3.24Å; A447-W450 PolarHBondContact O-N 2.99Å; A447-I451 WeakPolarHBondContact O-CG1 3.5Å; A447-I451 PolarHBondContact O-N 3.32Å; A447-I451 VanDerWaalsContact O-N 3.09Å |
| 448 | M | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.9 | -44.1 | 179 | -169.6 | 55 | -176.3 | 0 | 0 | 112.2 | I411 L432 C433 L436 L439 A444 R445 W450 I451 V452 | I411-M448 HydrophobicContact CG2-CB 4.13Å; L432-M448 HydrophobicContact CB-CE 3.8Å; L432-M448 HydrophobicContact CB-SD 3.89Å; L432-M448 HydrophobicContact CD1-SD 4.47Å; C433-M448 HydrophobicContact CB-CE 4.32Å; C433-M448 VanDerWaalsContact SG-CE 3.57Å; L436-M448 HydrophobicContact CD1-CE 4.4Å; L436-M448 HydrophobicContact CD2-CE 3.97Å; L436-M448 HydrophobicContact CD2-CG 3.51Å; L436-M448 HydrophobicContact CG-CE 4.11Å; L439-M448 HydrophobicContact CD1-CB 3.84Å; L439-M448 HydrophobicContact CD1-CG 4.05Å; A444-M448 WeakPolarHBondContact O-CB 3.41Å; A444-M448 PolarHBondContact O-N 2.61Å; R445-M448 PolarHBondContact O-N 2.98Å; R445-M448 VanDerWaalsContact O-N 3.17Å; M448-W450 PolarHBondContact O-N 3.06Å; M448-I451 WeakPolarHBondContact O-CA 3.29Å; M448-I451 WeakPolarHBondContact O-CB 3.44Å; M448-I451 PolarHBondContact O-N 2.88Å; M448-I451 HydrophobicContact SD-CB 4.5Å; M448-I451 HydrophobicContact SD-CD1 4.45Å; M448-V452 HydrophobicContact CE-CG2 4.34Å; M448-V452 WeakPolarHBondContact O-CG2 3.48Å; M448-V452 PolarHBondContact O-N 3.09Å |
| 449 | I | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -35.8 | 173.8 | -69.1 | 163.7 | 0 | 0 | 0 | 111.1 | R445 G453 L466 F469 V480 Q483 L484 A487 | R445-I449 WeakPolarHBondContact O-CB 3.38Å; R445-I449 VanDerWaalsContact O-CG1 3.3Å; R445-I449 WeakPolarHBondContact O-CG1 3.48Å; R445-I449 PolarHBondContact O-N 2.89Å; I449-G453 PolarHBondContact O-N 3.22Å; I449-L466 HydrophobicContact CG1-CD2 4.49Å; I449-L466 HydrophobicContact CG2-CD2 4.14Å; I449-F469 HydrophobicContact CD1-CB 4.3Å; I449-F469 HydrophobicContact CD1-CD1 3.98Å; I449-F469 HydrophobicContact CD1-CD2 4.16Å; I449-F469 HydrophobicContact CD1-CE1 4.32Å; I449-F469 HydrophobicContact CD1-CE2 4.49Å; I449-F469 HydrophobicContact CD1-CG 3.9Å; I449-F469 HydrophobicContact CG1-CD1 4.46Å; I449-F469 HydrophobicContact CG1-CD2 3.83Å; I449-F469 HydrophobicContact CG1-CE2 3.95Å; I449-F469 HydrophobicContact CG1-CG 4.11Å; I449-F469 HydrophobicContact CG1-CZ 4.33Å; I449-V480 HydrophobicContact CD1-CG1 3.77Å; I449-Q483 HydrophobicContact CB-CG 4.45Å; I449-Q483 HydrophobicContact CG2-CG 4.15Å; I449-L484 HydrophobicContact CG2-CB 4.25Å; I449-L484 HydrophobicContact CG2-CD1 4.06Å; I449-A487 HydrophobicContact CG2-CB 3.63Å; I449-A487 WeakPolarHBondContact O-CB 3.5Å |
| 450 | W | 92.4 | Very high | 88.4 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 171.1 | 179.7 | 95.8 | 0 | 0 | 0 | 112 | K415 F418 R419 A446 A447 M448 G453 E454 Q483 | K415-W450 HydrophobicContact CB-CE3 4.33Å; K415-W450 HydrophobicContact CG-CD2 3.98Å; K415-W450 HydrophobicContact CG-CE3 3.53Å; K415-W450 HydrophobicContact CG-CG 4.41Å; K415-W450 HydrophobicContact CG-CZ3 4.1Å; F418-W450 HydrophobicContact CB-CH2 4.39Å; F418-W450 HydrophobicContact CB-CZ3 4.17Å; R419-W450 HydrophobicContact CG-CH2 3.55Å; R419-W450 HydrophobicContact CG-CZ2 3.53Å; R419-W450 HydrophobicContact CG-CZ3 4.33Å; A446-W450 WeakPolarHBondContact O-CB 3.37Å; A446-W450 PolarHBondContact O-N 3.31Å; A447-W450 WeakPolarHBondContact O-CB 3.24Å; A447-W450 PolarHBondContact O-N 2.99Å; M448-W450 PolarHBondContact O-N 3.06Å; W450-G453 PolarHBondContact O-N 2.89Å; W450-E454 HydrophobicContact CH2-CB 4.27Å; W450-E454 HydrophobicContact CH2-CG 4.02Å; W450-E454 HydrophobicContact CZ2-CB 4.3Å; W450-E454 HydrophobicContact CZ2-CG 3.93Å; W450-E454 VanDerWaalsContact CZ2-OE1 3.23Å; W450-E454 WeakPolarHBondContact CZ2-OE1 3.47Å; W450-E454 HydrophobicContact CZ3-CB 4.44Å; W450-E454 WeakPolarHBondContact O-CB 3.43Å; W450-E454 PolarHBondContact O-N 2.68Å; W450-Q483 HydrophobicContact CB-CG 4.2Å |
| 451 | I | 90.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 177.4 | -66.8 | 172.7 | 0 | 0 | 0 | 110.2 | K415 F418 I429 L432 A447 M448 E454 Y455 | K415-I451 HydrophobicContact CB-CD1 4.32Å; K415-I451 HydrophobicContact CB-CG1 4.4Å; F418-I451 HydrophobicContact CD2-CG1 4.39Å; F418-I451 HydrophobicContact CE2-CG2 4.26Å; I429-I451 HydrophobicContact CG1-CG2 4.25Å; I429-I451 HydrophobicContact CG2-CG2 4.4Å; L432-I451 HydrophobicContact CD1-CD1 3.66Å; A447-I451 WeakPolarHBondContact O-CG1 3.5Å; A447-I451 PolarHBondContact O-N 3.32Å; A447-I451 VanDerWaalsContact O-N 3.09Å; M448-I451 WeakPolarHBondContact O-CA 3.29Å; M448-I451 WeakPolarHBondContact O-CB 3.44Å; M448-I451 PolarHBondContact O-N 2.88Å; M448-I451 HydrophobicContact SD-CB 4.5Å; M448-I451 HydrophobicContact SD-CD1 4.45Å; I451-E454 PolarHBondContact O-N 2.88Å; I451-Y455 HydrophobicContact CG2-CD2 4.26Å; I451-Y455 PolarHBondContact O-N 2.84Å |
| 452 | V | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -49.1 | 178.4 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | M448 E454 Y455 A456 I459 A462 L466 | M448-V452 HydrophobicContact CE-CG2 4.34Å; M448-V452 WeakPolarHBondContact O-CG2 3.48Å; M448-V452 PolarHBondContact O-N 3.09Å; V452-E454 VanDerWaalsContact C-N 3.33Å; V452-E454 PolarHBondContact O-N 2.85Å; V452-Y455 PolarHBondContact O-N 3.42Å; V452-A456 WeakPolarHBondContact O-CA 3.39Å; V452-A456 WeakPolarHBondContact O-CB 3.32Å; V452-A456 PolarHBondContact O-N 2.73Å; V452-I459 HydrophobicContact CB-CD1 4.48Å; V452-I459 HydrophobicContact CG2-CD1 4.42Å; V452-A462 HydrophobicContact CG1-CB 4Å; V452-L466 HydrophobicContact CB-CD2 4.18Å; V452-L466 HydrophobicContact CG1-CD1 4.26Å; V452-L466 HydrophobicContact CG1-CD2 3.86Å; V452-L466 HydrophobicContact CG1-CG 3.84Å |
| 453 | G | 88.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.1 | -30.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I449 W450 K490 K494 | I449-G453 PolarHBondContact O-N 3.22Å; W450-G453 PolarHBondContact O-N 2.89Å; G453-K490 WeakPolarHBondContact O-CD 3.46Å; G453-K494 PolarHBondContact O-NZ 3.48Å |
| 454 | E | 86.8 | Confident | 87.6 | Confident | 50 Ų | 50 | 38.4 Ų | 38.4 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -77.1 | -41.2 | 177 | -150.1 | 73.1 | 103.2 | 0 | 0 | 112.1 | W450 I451 V452 K490 K494 | W450-E454 HydrophobicContact CH2-CB 4.27Å; W450-E454 HydrophobicContact CH2-CG 4.02Å; W450-E454 HydrophobicContact CZ2-CB 4.3Å; W450-E454 HydrophobicContact CZ2-CG 3.93Å; W450-E454 VanDerWaalsContact CZ2-OE1 3.23Å; W450-E454 WeakPolarHBondContact CZ2-OE1 3.47Å; W450-E454 HydrophobicContact CZ3-CB 4.44Å; W450-E454 WeakPolarHBondContact O-CB 3.43Å; W450-E454 PolarHBondContact O-N 2.68Å; I451-E454 PolarHBondContact O-N 2.88Å; V452-E454 VanDerWaalsContact C-N 3.33Å; V452-E454 PolarHBondContact O-N 2.85Å; E454-K490 IonicContact OE1-NZ 2.94Å; E454-K490 PolarHBondContact OE1-NZ 3.12Å; E454-K490 WeakPolarHBondContact OE2-CE 3.4Å; E454-K490 IonicContact OE2-NZ 2.65Å; E454-K490 PolarHBondContact OE2-NZ 3.31Å; E454-K494 PolarHBondContact O-NZ 2.93Å |
| 455 | Y | 86.7 | Confident | 87.4 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -102.1 | 14.5 | -176.8 | -66.3 | -86.7 | 0 | 0 | 0 | 114.6 | F418 N423 E426 I429 I451 V452 E457 R458 I459 | F418-Y455 HydrophobicContact CD2-CD2 4.37Å; F418-Y455 AromaticContact CD2-CE2 3.62Å; F418-Y455 HydrophobicContact CD2-CE2 3.62Å; F418-Y455 HydrophobicContact CE2-CE2 4.16Å; F418-Y455 HydrophobicContact CG-CE2 4.47Å; N423-Y455 PolarHBondContact N-OH 2.91Å; E426-Y455 HydrophobicContact CG-CD1 4.43Å; E426-Y455 HydrophobicContact CG-CE1 4.14Å; I429-Y455 HydrophobicContact CD1-CD1 3.94Å; I429-Y455 HydrophobicContact CD1-CD2 3.98Å; I429-Y455 HydrophobicContact CD1-CG 3.64Å; I451-Y455 HydrophobicContact CG2-CD2 4.26Å; I451-Y455 PolarHBondContact O-N 2.84Å; V452-Y455 PolarHBondContact O-N 3.42Å; Y455-E457 PolarHBondContact O-N 2.64Å; Y455-R458 PolarHBondContact O-N 2.84Å; Y455-I459 PolarHBondContact O-N 3.07Å; Y455-I459 VanDerWaalsContact O-N 3.15Å |
| 456 | A | 85.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -15.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117 | V452 A462 L491 K494 K495 | V452-A456 WeakPolarHBondContact O-CA 3.39Å; V452-A456 WeakPolarHBondContact O-CB 3.32Å; V452-A456 PolarHBondContact O-N 2.73Å; A456-A462 HydrophobicContact CB-CB 4.22Å; A456-L491 HydrophobicContact CB-CB 4.46Å; A456-L491 HydrophobicContact CB-CD1 3.91Å; A456-K494 HydrophobicContact CB-CD 4.08Å; A456-K495 VanDerWaalsContact O-CE 3.26Å; A456-K495 WeakPolarHBondContact O-CE 3.34Å |
| 457 | E | 82.5 | Confident | 87.1 | Confident | 123 Ų | 123 | 40.7 Ų | 40.7 | 58% | 0.575 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -17 | 171.8 | -79.6 | 165.4 | -142.8 | 0 | 0 | 113.4 | Y455 K494 | Y455-E457 PolarHBondContact O-N 2.64Å; E457-K494 HydrophobicContact CG-CB 3.99Å; E457-K494 HydrophobicContact CG-CD 4Å; E457-K494 HydrophobicContact CG-CG 4.04Å; E457-K494 WeakPolarHBondContact OE1-CE 3.42Å; E457-K494 VanDerWaalsContact OE1-CG 3.29Å; E457-K494 WeakPolarHBondContact OE1-CG 3.3Å |
| 458 | R | 81.9 | Confident | 86.9 | Confident | 136 Ų | 136 | 43.7 Ų | 43.7 | 51% | 0.513 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | -12.4 | -175 | -48.3 | -172.3 | -165.1 | -151.6 | 12.3 | 113.5 | N423 E426 Y455 | N423-R458 PolarHBondContact OD1-NH2 3.45Å; E426-R458 VanDerWaalsContact CD-CZ 3.47Å; E426-R458 IonicContact OE1-CZ 3.06Å; E426-R458 IonicContact OE1-NE 3.82Å; E426-R458 IonicContact OE1-NH1 2.7Å; E426-R458 PolarHBondContact OE1-NH1 2.82Å; E426-R458 IonicContact OE1-NH2 3.28Å; E426-R458 PolarHBondContact OE1-NH2 2.93Å; E426-R458 WeakPolarHBondContact OE2-CD 3Å; E426-R458 IonicContact OE2-CZ 3.26Å; E426-R458 VanDerWaalsContact OE2-CZ 3.26Å; E426-R458 IonicContact OE2-NE 3.5Å; E426-R458 PolarHBondContact OE2-NE 3.06Å; E426-R458 IonicContact OE2-NH1 2.65Å; E426-R458 PolarHBondContact OE2-NH1 2.83Å; Y455-R458 PolarHBondContact O-N 2.84Å |
| 459 | I | 83.5 | Confident | 86.8 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | trans | -94.7 | 111.7 | 170.3 | -58.5 | 165.4 | 0 | 0 | 0 | 106 | I429 V452 Y455 A462 K495 | I429-I459 HydrophobicContact CG2-CD1 3.8Å; I429-I459 HydrophobicContact CG2-CG1 3.96Å; V452-I459 HydrophobicContact CB-CD1 4.48Å; V452-I459 HydrophobicContact CG2-CD1 4.42Å; Y455-I459 PolarHBondContact O-N 3.07Å; Y455-I459 VanDerWaalsContact O-N 3.15Å; I459-A462 HydrophobicContact CB-CB 4.05Å; I459-A462 HydrophobicContact CG2-CB 3.92Å; I459-A462 WeakPolarHBondContact O-CB 3.13Å; I459-K495 PolarHBondContact O-NZ 2.77Å | ||
| 460 | D | 77.4 | Confident | 86.6 | Confident | 136 Ų | 136 | 44.8 Ų | 44.8 | 73% | 0.727 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -50.6 | -175.2 | -70.3 | -39.1 | 0 | 0 | 0 | 110.9 | A462 K495 | D460-A462 VanDerWaalsContact C-N 3.26Å; D460-A462 PolarHBondContact O-N 3.22Å; D460-K495 PolarHBondContact O-NZ 2.97Å |
| 461 | N | 84.3 | Confident | 86.4 | Confident | 68 Ų | 68 | 51.5 Ų | 51.5 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 31.4 | 179.4 | 69 | -36.6 | 0 | 0 | 0 | 114.5 | D463 L465 | N461-D463 VanDerWaalsContact C-OD1 3.28Å; N461-D463 WeakPolarHBondContact CA-OD1 3.32Å; N461-D463 PolarHBondContact O-N 3.33Å; N461-L465 VanDerWaalsContact O-CG 3.31Å; N461-L465 WeakPolarHBondContact O-CG 3.36Å; N461-L465 PolarHBondContact O-N 3.02Å |
| 462 | A | 85.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -23.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V452 A456 I459 D460 L466 L491 | V452-A462 HydrophobicContact CG1-CB 4Å; A456-A462 HydrophobicContact CB-CB 4.22Å; I459-A462 HydrophobicContact CB-CB 4.05Å; I459-A462 HydrophobicContact CG2-CB 3.92Å; I459-A462 WeakPolarHBondContact O-CB 3.13Å; D460-A462 VanDerWaalsContact C-N 3.26Å; D460-A462 PolarHBondContact O-N 3.22Å; A462-L466 VanDerWaalsContact O-CG 3.31Å; A462-L466 WeakPolarHBondContact O-CG 3.39Å; A462-L466 PolarHBondContact O-N 2.9Å; A462-L491 HydrophobicContact CB-CD1 4.33Å |
| 463 | D | 85.3 | Confident | 86.1 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 21% | 0.214 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.6 | -59.2 | 173.1 | 41.5 | 7.2 | 0 | 0 | 0 | 111.7 | N461 L465 L466 E467 L491 L502 | N461-D463 VanDerWaalsContact C-OD1 3.28Å; N461-D463 WeakPolarHBondContact CA-OD1 3.32Å; N461-D463 PolarHBondContact O-N 3.33Å; D463-L465 PolarHBondContact O-N 3.5Å; D463-L466 PolarHBondContact O-N 3.12Å; D463-L466 VanDerWaalsContact O-N 3.08Å; D463-E467 WeakPolarHBondContact O-CB 3.28Å; D463-E467 PolarHBondContact O-N 3.02Å; D463-L491 HydrophobicContact CB-CD2 4.47Å; D463-L502 HydrophobicContact CB-CD1 4.17Å |
| 464 | E | 86.6 | Confident | 86 | Confident | 129 Ų | 129 | 57.6 Ų | 57.6 | 60% | 0.603 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -52 | -42.8 | 177.9 | -62.9 | -178.9 | 157.7 | 0 | 0 | 111.5 | E467 S468 | E464-E467 PolarHBondContact O-N 2.92Å; E464-S468 PolarHBondContact O-N 2.8Å; E464-S468 VanDerWaalsContact O-N 3.16Å |
| 465 | L | 87.7 | Confident | 86.1 | Confident | 27 Ų | 27 | 62.8 Ų | 62.8 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 179 | -66.7 | -178.2 | 0 | 0 | 0 | 112.7 | L436 N461 D463 S468 F469 | L436-L465 HydrophobicContact CD1-CD1 3.96Å; L436-L465 HydrophobicContact CD1-CD2 3.65Å; L436-L465 HydrophobicContact CD1-CG 4.36Å; N461-L465 VanDerWaalsContact O-CG 3.31Å; N461-L465 WeakPolarHBondContact O-CG 3.36Å; N461-L465 PolarHBondContact O-N 3.02Å; D463-L465 PolarHBondContact O-N 3.5Å; L465-S468 PolarHBondContact O-OG 3.21Å; L465-F469 VanDerWaalsContact O-CD2 3.23Å; L465-F469 WeakPolarHBondContact O-CD2 3.47Å |
| 466 | L | 88.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.5 | -26.1 | 177.3 | -67 | -172.3 | 0 | 0 | 0 | 113 | I449 V452 A462 D463 F469 L470 L484 A487 I488 L491 | I449-L466 HydrophobicContact CG1-CD2 4.49Å; I449-L466 HydrophobicContact CG2-CD2 4.14Å; V452-L466 HydrophobicContact CB-CD2 4.18Å; V452-L466 HydrophobicContact CG1-CD1 4.26Å; V452-L466 HydrophobicContact CG1-CD2 3.86Å; V452-L466 HydrophobicContact CG1-CG 3.84Å; A462-L466 VanDerWaalsContact O-CG 3.31Å; A462-L466 WeakPolarHBondContact O-CG 3.39Å; A462-L466 PolarHBondContact O-N 2.9Å; D463-L466 PolarHBondContact O-N 3.12Å; D463-L466 VanDerWaalsContact O-N 3.08Å; L466-F469 PolarHBondContact O-N 3.21Å; L466-L470 WeakPolarHBondContact O-CB 3.43Å; L466-L470 PolarHBondContact O-N 2.94Å; L466-L470 VanDerWaalsContact O-N 3.1Å; L466-L484 HydrophobicContact CB-CD1 4.26Å; L466-L484 HydrophobicContact CD2-CD1 3.84Å; L466-L484 HydrophobicContact CG-CD1 4.49Å; L466-A487 HydrophobicContact CD1-CB 3.93Å; L466-A487 HydrophobicContact CD2-CB 4.38Å; L466-I488 HydrophobicContact CB-CG1 4.17Å; L466-I488 HydrophobicContact CD1-CG1 3.92Å; L466-L491 HydrophobicContact CD1-CB 4.43Å; L466-L491 HydrophobicContact CD1-CD2 3.96Å |
| 467 | E | 89.3 | Confident | 86.4 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 172.7 | -172.2 | 169 | -153.3 | 0 | 0 | 111.3 | D463 E464 F469 L470 E471 L502 | D463-E467 WeakPolarHBondContact O-CB 3.28Å; D463-E467 PolarHBondContact O-N 3.02Å; E464-E467 PolarHBondContact O-N 2.92Å; E467-F469 VanDerWaalsContact C-N 3.26Å; E467-F469 PolarHBondContact O-N 2.8Å; E467-L470 WeakPolarHBondContact O-CA 3.44Å; E467-L470 WeakPolarHBondContact O-CB 3.46Å; E467-L470 PolarHBondContact O-N 3.28Å; E467-E471 PolarHBondContact O-N 3.21Å; E467-L502 HydrophobicContact CB-CD2 3.85Å; E467-L502 HydrophobicContact CG-CD2 3.85Å |
| 468 | S | 88.5 | Confident | 86.8 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 46% | 0.462 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.2 | -32.7 | 175 | 73.2 | 0 | 0 | 0 | 0 | 114.1 | E464 L465 L470 | E464-S468 PolarHBondContact O-N 2.8Å; E464-S468 VanDerWaalsContact O-N 3.16Å; L465-S468 PolarHBondContact O-OG 3.21Å; S468-L470 VanDerWaalsContact C-N 3.35Å |
| 469 | F | 87.9 | Confident | 87.2 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 9% | 0.088 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -77.8 | -20.3 | 172.5 | -73.6 | -64.6 | 0 | 0 | 0 | 113 | L436 R445 I449 L465 L466 E467 L484 | L436-F469 HydrophobicContact CD2-CE2 3.89Å; L436-F469 HydrophobicContact CD2-CZ 3.76Å; R445-F469 HydrophobicContact CG-CE1 4.47Å; I449-F469 HydrophobicContact CD1-CB 4.3Å; I449-F469 HydrophobicContact CD1-CD1 3.98Å; I449-F469 HydrophobicContact CD1-CD2 4.16Å; I449-F469 HydrophobicContact CD1-CE1 4.32Å; I449-F469 HydrophobicContact CD1-CE2 4.49Å; I449-F469 HydrophobicContact CD1-CG 3.9Å; I449-F469 HydrophobicContact CG1-CD1 4.46Å; I449-F469 HydrophobicContact CG1-CD2 3.83Å; I449-F469 HydrophobicContact CG1-CE2 3.95Å; I449-F469 HydrophobicContact CG1-CG 4.11Å; I449-F469 HydrophobicContact CG1-CZ 4.33Å; L465-F469 VanDerWaalsContact O-CD2 3.23Å; L465-F469 WeakPolarHBondContact O-CD2 3.47Å; L466-F469 PolarHBondContact O-N 3.21Å; E467-F469 VanDerWaalsContact C-N 3.26Å; E467-F469 PolarHBondContact O-N 2.8Å; F469-L484 HydrophobicContact CB-CD1 3.96Å; F469-L484 HydrophobicContact CB-CD2 4.06Å; F469-L484 WeakPolarHBondContact O-CD2 3.41Å |
| 470 | L | 88.8 | Confident | 87.7 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -82.3 | -30.4 | 178.5 | -169.2 | 62.2 | 0 | 0 | 0 | 112.2 | L466 E467 S468 G472 F473 L484 I488 L502 Q505 V506 L509 | L466-L470 WeakPolarHBondContact O-CB 3.43Å; L466-L470 PolarHBondContact O-N 2.94Å; L466-L470 VanDerWaalsContact O-N 3.1Å; E467-L470 WeakPolarHBondContact O-CA 3.44Å; E467-L470 WeakPolarHBondContact O-CB 3.46Å; E467-L470 PolarHBondContact O-N 3.28Å; S468-L470 VanDerWaalsContact C-N 3.35Å; L470-G472 VanDerWaalsContact C-N 3.25Å; L470-G472 PolarHBondContact O-N 3.44Å; L470-F473 HydrophobicContact CD1-CB 4.42Å; L470-F473 HydrophobicContact CD1-CD2 4.28Å; L470-F473 VanDerWaalsContact O-CB 3.3Å; L470-F473 WeakPolarHBondContact O-CB 3.5Å; L470-F473 PolarHBondContact O-N 3.45Å; L470-L484 HydrophobicContact CB-CD2 4.26Å; L470-L484 HydrophobicContact CD1-CD2 4.05Å; L470-I488 HydrophobicContact CD1-CD1 4.17Å; L470-I488 HydrophobicContact CD2-CD1 4.13Å; L470-L502 HydrophobicContact CD2-CD2 4.18Å; L470-Q505 HydrophobicContact CD2-CB 4.11Å; L470-Q505 HydrophobicContact CD2-CG 3.83Å; L470-Q505 HydrophobicContact CG-CG 4.4Å; L470-V506 HydrophobicContact CD1-CB 3.69Å; L470-V506 HydrophobicContact CD1-CG2 3.68Å; L470-V506 HydrophobicContact CD2-CB 4.4Å; L470-L509 HydrophobicContact CD1-CD1 3.96Å; L470-L509 HydrophobicContact CG-CD1 4.33Å |
| 471 | E | 87.7 | Confident | 88.4 | Confident | 166 Ų | 166 | 55.1 Ų | 55.1 | 78% | 0.776 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.1 | -38.6 | 170.7 | -66.3 | -164.7 | 145.3 | 0 | 0 | 112 | E467 F473 | E467-E471 PolarHBondContact O-N 3.21Å; E471-F473 PolarHBondContact O-N 3.32Å |
| 472 | G | 85.9 | Confident | 88.7 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L470 H474 D475 E476 | L470-G472 VanDerWaalsContact C-N 3.25Å; L470-G472 PolarHBondContact O-N 3.44Å; G472-H474 PolarHBondContact O-N 2.83Å; G472-D475 PolarHBondContact O-N 2.82Å; G472-E476 PolarHBondContact O-N 2.9Å |
| 473 | F | 88 | Confident | 89.1 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -36 | -162.1 | -178.5 | -102 | 0 | 0 | 0 | 116 | L470 E471 Q481 L484 V506 L509 A510 L519 | L470-F473 HydrophobicContact CD1-CB 4.42Å; L470-F473 HydrophobicContact CD1-CD2 4.28Å; L470-F473 VanDerWaalsContact O-CB 3.3Å; L470-F473 WeakPolarHBondContact O-CB 3.5Å; L470-F473 PolarHBondContact O-N 3.45Å; E471-F473 PolarHBondContact O-N 3.32Å; F473-Q481 HydrophobicContact CD2-CB 4.32Å; F473-Q481 HydrophobicContact CD2-CG 4Å; F473-Q481 HydrophobicContact CE2-CB 3.69Å; F473-Q481 HydrophobicContact CE2-CG 3.8Å; F473-Q481 HydrophobicContact CG-CG 4.5Å; F473-Q481 HydrophobicContact CZ-CB 4.06Å; F473-Q481 HydrophobicContact CZ-CG 4.12Å; F473-Q481 WeakPolarHBondContact O-CG 3.36Å; F473-Q481 PolarHBondContact O-NE2 3.25Å; F473-L484 HydrophobicContact CD2-CD2 4.2Å; F473-V506 HydrophobicContact CE2-CG2 4.17Å; F473-L509 HydrophobicContact CB-CD1 4.41Å; F473-L509 HydrophobicContact CD1-CB 3.75Å; F473-L509 HydrophobicContact CD1-CD1 4.31Å; F473-L509 HydrophobicContact CE1-CB 3.68Å; F473-L509 HydrophobicContact CG-CD1 4.44Å; F473-L509 HydrophobicContact CZ-CB 4.42Å; F473-A510 HydrophobicContact CZ-CB 4.2Å; F473-L519 HydrophobicContact CZ-CD2 4.07Å |
| 474 | H | 87.4 | Confident | 89.5 | Confident | 106 Ų | 106 | 53.6 Ų | 53.6 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -26.9 | -179.1 | -67.6 | -67.4 | 0 | 0 | 0 | 114.7 | G472 | G472-H474 PolarHBondContact O-N 2.83Š|
| 475 | D | 87.9 | Confident | 89.8 | Confident | 158 Ų | 158 | 47.4 Ų | 47.4 | 85% | 0.845 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -15.4 | 179.7 | -65.8 | -33.6 | 0 | 0 | 0 | 111.9 | G472 | G472-D475 PolarHBondContact O-N 2.82Š|
| 476 | E | 87.9 | Confident | 90 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 15% | 0.15 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -73.9 | 157.6 | 175.8 | -61.6 | -52.3 | 136.7 | 0 | 0 | 113.8 | R445 G472 V480 Q481 | R445-E476 IonicContact CZ-OE1 3.38Å; R445-E476 IonicContact CZ-OE2 2.66Å; R445-E476 IonicContact NH1-OE1 3.5Å; R445-E476 PolarHBondContact NH1-OE1 3Å; R445-E476 IonicContact NH1-OE2 2.8Å; R445-E476 PolarHBondContact NH1-OE2 3.1Å; G472-E476 PolarHBondContact O-N 2.9Å; E476-V480 HydrophobicContact CB-CB 4.04Å; E476-V480 HydrophobicContact CB-CG1 3.86Å; E476-V480 HydrophobicContact CG-CG1 3.88Å; E476-Q481 HydrophobicContact CB-CG 4.29Å; E476-Q481 PolarHBondContact O-NE2 2.96Å |
| 477 | S | 91.1 | Very high | 90.1 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | trans | -72.4 | 156.3 | 173.4 | 83.3 | 0 | 0 | 0 | 0 | 112.6 | P442 Q479 V480 Q481 | P442-S477 WeakPolarHBondContact CB-OG 3.4Å; S477-Q479 PolarHBondContact O-N 3.12Å; S477-Q479 VanDerWaalsContact O-N 3.15Å; S477-V480 WeakPolarHBondContact O-CA 3.47Å; S477-V480 WeakPolarHBondContact O-CB 3.49Å; S477-V480 PolarHBondContact O-N 3.31Å; S477-Q481 WeakPolarHBondContact O-CG 3.38Å; S477-Q481 PolarHBondContact O-N 3.17Å | ||
| 478 | T | 90.9 | Very high | 90.3 | Very high | 69 Ų | 69 | 42.5 Ų | 42.5 | 42% | 0.423 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.6 | -32.9 | 178.7 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | Q481 L482 N516 | T478-Q481 PolarHBondContact O-N 3.35Å; T478-L482 VanDerWaalsContact O-CB 3.3Å; T478-L482 WeakPolarHBondContact O-CB 3.29Å; T478-L482 WeakPolarHBondContact O-CD1 3.47Å; T478-L482 WeakPolarHBondContact O-CG 3.39Å; T478-L482 PolarHBondContact O-N 3.45Å; T478-N516 HydrophobicContact CG2-CB 4.41Å |
| 479 | Q | 91.6 | Very high | 90.4 | Very high | 97 Ų | 97 | 39.4 Ų | 39.4 | 45% | 0.453 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 174 | 179.5 | 179.2 | -10.6 | 0 | 0 | 112 | A446 S477 Q483 | A446-Q479 HydrophobicContact CB-CG 4.2Å; S477-Q479 PolarHBondContact O-N 3.12Å; S477-Q479 VanDerWaalsContact O-N 3.15Å; Q479-Q483 VanDerWaalsContact O-CB 3.32Å; Q479-Q483 WeakPolarHBondContact O-CB 3.28Å; Q479-Q483 PolarHBondContact O-N 3.38Å; Q479-Q483 VanDerWaalsContact O-N 3.14Å |
| 480 | V | 92.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.5 | -46.7 | 176.2 | 174.6 | 0 | 0 | 0 | 0 | 110 | P442 R445 A446 I449 E476 S477 L482 Q483 L484 | P442-V480 HydrophobicContact CB-CG2 3.82Å; P442-V480 VanDerWaalsContact O-CG2 3.3Å; P442-V480 WeakPolarHBondContact O-CG2 3.27Å; R445-V480 HydrophobicContact CB-CG2 4.12Å; A446-V480 HydrophobicContact CB-CG2 4.28Å; I449-V480 HydrophobicContact CD1-CG1 3.77Å; E476-V480 HydrophobicContact CB-CB 4.04Å; E476-V480 HydrophobicContact CB-CG1 3.86Å; E476-V480 HydrophobicContact CG-CG1 3.88Å; S477-V480 WeakPolarHBondContact O-CA 3.47Å; S477-V480 WeakPolarHBondContact O-CB 3.49Å; S477-V480 PolarHBondContact O-N 3.31Å; V480-L482 PolarHBondContact O-N 3.08Å; V480-Q483 CarbonylContact O-C 2.92Å; V480-Q483 PolarHBondContact O-N 2.9Å; V480-Q483 VanDerWaalsContact O-N 3.14Å; V480-L484 WeakPolarHBondContact O-CB 3.14Å; V480-L484 PolarHBondContact O-N 3.01Å |
| 481 | Q | 92.4 | Very high | 90.5 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.5 | -48.1 | 176.9 | -67.2 | 167.9 | -14.6 | 0 | 0 | 112.6 | F473 E476 S477 T478 Q483 L484 L485 L519 | F473-Q481 HydrophobicContact CD2-CB 4.32Å; F473-Q481 HydrophobicContact CD2-CG 4Å; F473-Q481 HydrophobicContact CE2-CB 3.69Å; F473-Q481 HydrophobicContact CE2-CG 3.8Å; F473-Q481 HydrophobicContact CG-CG 4.5Å; F473-Q481 HydrophobicContact CZ-CB 4.06Å; F473-Q481 HydrophobicContact CZ-CG 4.12Å; F473-Q481 WeakPolarHBondContact O-CG 3.36Å; F473-Q481 PolarHBondContact O-NE2 3.25Å; E476-Q481 HydrophobicContact CB-CG 4.29Å; E476-Q481 PolarHBondContact O-NE2 2.96Å; S477-Q481 WeakPolarHBondContact O-CG 3.38Å; S477-Q481 PolarHBondContact O-N 3.17Å; T478-Q481 PolarHBondContact O-N 3.35Å; Q481-Q483 VanDerWaalsContact C-N 3.32Å; Q481-Q483 PolarHBondContact O-N 3.41Å; Q481-L484 PolarHBondContact O-N 2.73Å; Q481-L485 WeakPolarHBondContact O-CB 3.48Å; Q481-L485 PolarHBondContact O-N 3.06Å; Q481-L519 HydrophobicContact CB-CD1 4.4Å; Q481-L519 HydrophobicContact CB-CD2 3.59Å; Q481-L519 HydrophobicContact CG-CD2 4.3Å; Q481-L519 VanDerWaalsContact OE1-CD2 3.26Å |
| 482 | L | 91.9 | Very high | 90.6 | Very high | 33 Ų | 33 | 32.1 Ų | 32.1 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 176.1 | -77 | 166.3 | 0 | 0 | 0 | 112.3 | T478 V480 T486 D518 L519 R522 | T478-L482 VanDerWaalsContact O-CB 3.3Å; T478-L482 WeakPolarHBondContact O-CB 3.29Å; T478-L482 WeakPolarHBondContact O-CD1 3.47Å; T478-L482 WeakPolarHBondContact O-CG 3.39Å; T478-L482 PolarHBondContact O-N 3.45Å; V480-L482 PolarHBondContact O-N 3.08Å; L482-T486 WeakPolarHBondContact O-CB 3.38Å; L482-T486 PolarHBondContact O-N 3.01Å; L482-T486 VanDerWaalsContact O-N 3.11Å; L482-T486 PolarHBondContact O-OG1 2.83Å; L482-D518 WeakPolarHBondContact CD2-OD2 3.09Å; L482-L519 HydrophobicContact CD2-CB 4.12Å; L482-L519 HydrophobicContact CD2-CD1 3.78Å; L482-L519 HydrophobicContact CG-CD1 4.11Å; L482-R522 VanDerWaalsContact CD2-CD 3.41Å |
| 483 | Q | 93.3 | Very high | 90.6 | Very high | 41 Ų | 41 | 31.7 Ų | 31.7 | 19% | 0.192 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -76.7 | -32.2 | -179.8 | -171.5 | 47.7 | 86.5 | 0 | 0 | 112.1 | A446 I449 W450 Q479 V480 Q481 T486 A487 | A446-Q483 HydrophobicContact CB-CB 4.21Å; A446-Q483 HydrophobicContact CB-CG 4.21Å; A446-Q483 VanDerWaalsContact O-CG 3.25Å; A446-Q483 WeakPolarHBondContact O-CG 3.43Å; I449-Q483 HydrophobicContact CB-CG 4.45Å; I449-Q483 HydrophobicContact CG2-CG 4.15Å; W450-Q483 HydrophobicContact CB-CG 4.2Å; Q479-Q483 VanDerWaalsContact O-CB 3.32Å; Q479-Q483 WeakPolarHBondContact O-CB 3.28Å; Q479-Q483 PolarHBondContact O-N 3.38Å; Q479-Q483 VanDerWaalsContact O-N 3.14Å; V480-Q483 CarbonylContact O-C 2.92Å; V480-Q483 PolarHBondContact O-N 2.9Å; V480-Q483 VanDerWaalsContact O-N 3.14Å; Q481-Q483 VanDerWaalsContact C-N 3.32Å; Q481-Q483 PolarHBondContact O-N 3.41Å; Q483-T486 PolarHBondContact O-N 3.14Å; Q483-A487 VanDerWaalsContact O-CB 3.28Å; Q483-A487 WeakPolarHBondContact O-CB 3.29Å; Q483-A487 PolarHBondContact O-N 3.44Å |
| 484 | L | 92.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.9 | -48.4 | 173.4 | -175.1 | 62.6 | 0 | 0 | 0 | 111.5 | I449 L466 F469 L470 F473 V480 Q481 T486 A487 I488 | I449-L484 HydrophobicContact CG2-CB 4.25Å; I449-L484 HydrophobicContact CG2-CD1 4.06Å; L466-L484 HydrophobicContact CB-CD1 4.26Å; L466-L484 HydrophobicContact CD2-CD1 3.84Å; L466-L484 HydrophobicContact CG-CD1 4.49Å; F469-L484 HydrophobicContact CB-CD1 3.96Å; F469-L484 HydrophobicContact CB-CD2 4.06Å; F469-L484 WeakPolarHBondContact O-CD2 3.41Å; L470-L484 HydrophobicContact CB-CD2 4.26Å; L470-L484 HydrophobicContact CD1-CD2 4.05Å; F473-L484 HydrophobicContact CD2-CD2 4.2Å; V480-L484 WeakPolarHBondContact O-CB 3.14Å; V480-L484 PolarHBondContact O-N 3.01Å; Q481-L484 PolarHBondContact O-N 2.73Å; L484-T486 VanDerWaalsContact C-N 3.25Å; L484-T486 PolarHBondContact O-N 3.4Å; L484-A487 PolarHBondContact O-N 2.96Å; L484-I488 HydrophobicContact CD1-CD1 3.9Å; L484-I488 HydrophobicContact CD1-CG1 4.13Å; L484-I488 HydrophobicContact CD2-CD1 4.49Å; L484-I488 HydrophobicContact CG-CD1 3.85Å; L484-I488 HydrophobicContact CG-CG1 4.42Å; L484-I488 WeakPolarHBondContact O-CG1 3.26Å; L484-I488 PolarHBondContact O-N 3.42Å |
| 485 | L | 92.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -52.1 | -46.6 | 171.4 | 172.7 | 62.3 | 0 | 0 | 0 | 111.1 | Q481 V489 V506 L507 A510 L519 R522 Y526 | Q481-L485 WeakPolarHBondContact O-CB 3.48Å; Q481-L485 PolarHBondContact O-N 3.06Å; L485-V489 HydrophobicContact CD1-CG2 4.41Å; L485-V489 WeakPolarHBondContact O-CB 3.42Å; L485-V489 VanDerWaalsContact O-CG2 3.28Å; L485-V489 WeakPolarHBondContact O-CG2 3.27Å; L485-V489 PolarHBondContact O-N 2.84Å; L485-V489 VanDerWaalsContact O-N 3.12Å; L485-V506 HydrophobicContact CB-CG2 4.26Å; L485-V506 HydrophobicContact CD1-CG1 4.01Å; L485-V506 HydrophobicContact CD1-CG2 4.21Å; L485-L507 HydrophobicContact CD1-CD2 3.81Å; L485-A510 HydrophobicContact CD2-CB 4.31Å; L485-L519 HydrophobicContact CB-CD1 4.49Å; L485-L519 HydrophobicContact CD2-CD1 3.72Å; L485-R522 HydrophobicContact CD2-CG 4.5Å; L485-Y526 HydrophobicContact CD1-CD2 4.13Å; L485-Y526 HydrophobicContact CD2-CD2 3.99Å; L485-Y526 HydrophobicContact CD2-CE2 4.24Å; L485-Y526 HydrophobicContact CG-CD2 3.82Å; L485-Y526 HydrophobicContact CG-CE2 4.02Å |
| 486 | T | 92 | Very high | 90.1 | Very high | 16 Ų | 16 | 25.6 Ų | 25.6 | 10% | 0.098 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 177.2 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | L482 Q483 L484 K490 Y526 | L482-T486 WeakPolarHBondContact O-CB 3.38Å; L482-T486 PolarHBondContact O-N 3.01Å; L482-T486 VanDerWaalsContact O-N 3.11Å; L482-T486 PolarHBondContact O-OG1 2.83Å; Q483-T486 PolarHBondContact O-N 3.14Å; L484-T486 VanDerWaalsContact C-N 3.25Å; L484-T486 PolarHBondContact O-N 3.4Å; T486-K490 WeakPolarHBondContact O-CG 3.34Å; T486-K490 PolarHBondContact O-N 2.88Å; T486-K490 VanDerWaalsContact O-N 3.1Å; T486-Y526 PolarHBondContact OG1-OH 3.38Å |
| 487 | A | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.1 | -42.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I449 L466 Q483 L484 K490 L491 | I449-A487 HydrophobicContact CG2-CB 3.63Å; I449-A487 WeakPolarHBondContact O-CB 3.5Å; L466-A487 HydrophobicContact CD1-CB 3.93Å; L466-A487 HydrophobicContact CD2-CB 4.38Å; Q483-A487 VanDerWaalsContact O-CB 3.28Å; Q483-A487 WeakPolarHBondContact O-CB 3.29Å; Q483-A487 PolarHBondContact O-N 3.44Å; L484-A487 PolarHBondContact O-N 2.96Å; A487-K490 WeakPolarHBondContact O-CB 3.45Å; A487-K490 PolarHBondContact O-N 3.16Å; A487-L491 WeakPolarHBondContact O-CB 3.44Å; A487-L491 PolarHBondContact O-N 3.42Å |
| 488 | I | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.2 | -40 | 177.1 | -66.5 | 173.6 | 0 | 0 | 0 | 110.6 | L466 L470 L484 K490 L491 F492 L502 V503 V506 | L466-I488 HydrophobicContact CB-CG1 4.17Å; L466-I488 HydrophobicContact CD1-CG1 3.92Å; L470-I488 HydrophobicContact CD1-CD1 4.17Å; L470-I488 HydrophobicContact CD2-CD1 4.13Å; L484-I488 HydrophobicContact CD1-CD1 3.9Å; L484-I488 HydrophobicContact CD1-CG1 4.13Å; L484-I488 HydrophobicContact CD2-CD1 4.49Å; L484-I488 HydrophobicContact CG-CD1 3.85Å; L484-I488 HydrophobicContact CG-CG1 4.42Å; L484-I488 WeakPolarHBondContact O-CG1 3.26Å; L484-I488 PolarHBondContact O-N 3.42Å; I488-K490 PolarHBondContact O-N 3.38Å; I488-L491 PolarHBondContact O-N 3.37Å; I488-F492 PolarHBondContact O-N 3.4Å; I488-L502 HydrophobicContact CG2-CB 4.17Å; I488-V503 HydrophobicContact CG2-CB 4.49Å; I488-V503 HydrophobicContact CG2-CG2 3.78Å; I488-V506 HydrophobicContact CB-CG1 4.13Å; I488-V506 HydrophobicContact CD1-CB 3.96Å; I488-V506 HydrophobicContact CD1-CG1 4.12Å; I488-V506 HydrophobicContact CD1-CG2 4.14Å; I488-V506 HydrophobicContact CG2-CG1 3.82Å |
| 489 | V | 90.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -40.6 | 173.1 | 171 | 0 | 0 | 0 | 0 | 112 | L485 F492 L493 Y526 L530 V541 | L485-V489 HydrophobicContact CD1-CG2 4.41Å; L485-V489 WeakPolarHBondContact O-CB 3.42Å; L485-V489 VanDerWaalsContact O-CG2 3.28Å; L485-V489 WeakPolarHBondContact O-CG2 3.27Å; L485-V489 PolarHBondContact O-N 2.84Å; L485-V489 VanDerWaalsContact O-N 3.12Å; V489-F492 PolarHBondContact O-N 3.39Å; V489-L493 HydrophobicContact CG1-CD1 4.16Å; V489-L493 WeakPolarHBondContact O-CG 3.22Å; V489-L493 PolarHBondContact O-N 3.07Å; V489-L493 VanDerWaalsContact O-N 3.13Å; V489-Y526 HydrophobicContact CB-CD1 4.45Å; V489-Y526 HydrophobicContact CG1-CD1 3.82Å; V489-Y526 HydrophobicContact CG1-CE1 4.08Å; V489-Y526 HydrophobicContact CG1-CG 4.33Å; V489-Y526 HydrophobicContact CG2-CD1 4.26Å; V489-Y526 HydrophobicContact CG2-CD2 4.13Å; V489-Y526 HydrophobicContact CG2-CG 3.92Å; V489-L530 HydrophobicContact CG1-CD1 4.22Å; V489-L530 HydrophobicContact CG1-CD2 4.46Å; V489-L530 HydrophobicContact CG2-CD1 4.26Å; V489-V541 HydrophobicContact CG1-CG1 4.36Å |
| 490 | K | 89.6 | Confident | 88 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 171.9 | -74.9 | 176.1 | 178 | -169.1 | 0 | 111.8 | G453 E454 T486 A487 I488 F492 L493 K494 V541 L542 | G453-K490 WeakPolarHBondContact O-CD 3.46Å; E454-K490 IonicContact OE1-NZ 2.94Å; E454-K490 PolarHBondContact OE1-NZ 3.12Å; E454-K490 WeakPolarHBondContact OE2-CE 3.4Å; E454-K490 IonicContact OE2-NZ 2.65Å; E454-K490 PolarHBondContact OE2-NZ 3.31Å; T486-K490 WeakPolarHBondContact O-CG 3.34Å; T486-K490 PolarHBondContact O-N 2.88Å; T486-K490 VanDerWaalsContact O-N 3.1Å; A487-K490 WeakPolarHBondContact O-CB 3.45Å; A487-K490 PolarHBondContact O-N 3.16Å; I488-K490 PolarHBondContact O-N 3.38Å; K490-F492 VanDerWaalsContact C-N 3.3Å; K490-F492 PolarHBondContact O-N 3.49Å; K490-L493 PolarHBondContact O-N 2.88Å; K490-K494 WeakPolarHBondContact O-CD 3.06Å; K490-K494 VanDerWaalsContact O-CG 3.22Å; K490-K494 WeakPolarHBondContact O-CG 3.49Å; K490-K494 PolarHBondContact O-N 3.37Å; K490-V541 HydrophobicContact CG-CG1 4.13Å; K490-L542 HydrophobicContact CB-CD2 4.27Å; K490-L542 HydrophobicContact CG-CD2 4Å |
| 491 | L | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.6 | -43.1 | 178.9 | 169.5 | 60.6 | 0 | 0 | 0 | 110.7 | A456 A462 D463 L466 A487 I488 K494 K495 T499 | A456-L491 HydrophobicContact CB-CB 4.46Å; A456-L491 HydrophobicContact CB-CD1 3.91Å; A462-L491 HydrophobicContact CB-CD1 4.33Å; D463-L491 HydrophobicContact CB-CD2 4.47Å; L466-L491 HydrophobicContact CD1-CB 4.43Å; L466-L491 HydrophobicContact CD1-CD2 3.96Å; A487-L491 WeakPolarHBondContact O-CB 3.44Å; A487-L491 PolarHBondContact O-N 3.42Å; I488-L491 PolarHBondContact O-N 3.37Å; L491-K494 CarbonylContact O-C 3.56Å; L491-K494 WeakPolarHBondContact O-CB 3.01Å; L491-K494 PolarHBondContact O-N 3.44Å; L491-K494 VanDerWaalsContact O-N 3.12Å; L491-K495 HydrophobicContact CD1-CB 4.29Å; L491-K495 HydrophobicContact CD1-CD 4.12Å; L491-K495 HydrophobicContact CD1-CG 4.37Å; L491-K495 PolarHBondContact O-N 3.31Å; L491-T499 HydrophobicContact CD1-CG2 4.02Å; L491-T499 HydrophobicContact CD2-CG2 3.83Å; L491-T499 HydrophobicContact CG-CG2 3.64Å |
| 492 | F | 89.5 | Confident | 87.5 | Confident | 35 Ų | 35 | 39.3 Ų | 39.3 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 176.3 | 173.7 | -108.1 | 0 | 0 | 0 | 114.4 | I488 V489 K490 K494 P496 T499 Q500 V503 L530 | I488-F492 PolarHBondContact O-N 3.4Å; V489-F492 PolarHBondContact O-N 3.39Å; K490-F492 VanDerWaalsContact C-N 3.3Å; K490-F492 PolarHBondContact O-N 3.49Å; F492-K494 PolarHBondContact O-N 3.36Å; F492-K494 VanDerWaalsContact O-N 3.07Å; F492-P496 HydrophobicContact CD2-CB 4.22Å; F492-P496 HydrophobicContact CE2-CB 3.98Å; F492-P496 VanDerWaalsContact O-CA 3.27Å; F492-P496 WeakPolarHBondContact O-CA 3.23Å; F492-P496 WeakPolarHBondContact O-CB 3.35Å; F492-P496 WeakPolarHBondContact O-CD 3.34Å; F492-T499 WeakPolarHBondContact CA-OG1 3.47Å; F492-Q500 HydrophobicContact CD2-CG 4.35Å; F492-Q500 HydrophobicContact CE2-CG 3.68Å; F492-V503 HydrophobicContact CB-CG2 3.35Å; F492-V503 HydrophobicContact CD1-CG2 4.23Å; F492-V503 HydrophobicContact CD2-CG2 4.08Å; F492-V503 HydrophobicContact CG-CG2 3.64Å; F492-L530 HydrophobicContact CD1-CD1 4.19Å; F492-L530 HydrophobicContact CD1-CD2 4.02Å; F492-L530 HydrophobicContact CE1-CD1 4.37Å; F492-L530 HydrophobicContact CE1-CD2 4.05Å |
| 493 | L | 87.1 | Confident | 87.4 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -7.7 | 173.5 | -67.9 | 168.1 | 0 | 0 | 0 | 113.3 | V489 K490 L530 A537 K538 V541 L542 | V489-L493 HydrophobicContact CG1-CD1 4.16Å; V489-L493 WeakPolarHBondContact O-CG 3.22Å; V489-L493 PolarHBondContact O-N 3.07Å; V489-L493 VanDerWaalsContact O-N 3.13Å; K490-L493 PolarHBondContact O-N 2.88Å; L493-L530 HydrophobicContact CD2-CD2 3.77Å; L493-L530 HydrophobicContact CG-CD2 4.2Å; L493-A537 HydrophobicContact CD2-CB 3.98Å; L493-K538 HydrophobicContact CD2-CB 4.19Å; L493-K538 PolarHBondContact O-NZ 2.78Å; L493-V541 HydrophobicContact CD1-CB 3.67Å; L493-V541 HydrophobicContact CD1-CG1 3.87Å; L493-V541 HydrophobicContact CD1-CG2 4.2Å; L493-L542 HydrophobicContact CB-CD1 4.25Å; L493-L542 HydrophobicContact CB-CG 4.48Å |
| 494 | K | 85.8 | Confident | 87.2 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 15% | 0.152 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -53.6 | 179.9 | -65.7 | 171.6 | 169.5 | 174.5 | 0 | 112.3 | G453 E454 A456 E457 K490 L491 F492 P496 L542 | G453-K494 PolarHBondContact O-NZ 3.48Å; E454-K494 PolarHBondContact O-NZ 2.93Å; A456-K494 HydrophobicContact CB-CD 4.08Å; E457-K494 HydrophobicContact CG-CB 3.99Å; E457-K494 HydrophobicContact CG-CD 4Å; E457-K494 HydrophobicContact CG-CG 4.04Å; E457-K494 WeakPolarHBondContact OE1-CE 3.42Å; E457-K494 VanDerWaalsContact OE1-CG 3.29Å; E457-K494 WeakPolarHBondContact OE1-CG 3.3Å; K490-K494 WeakPolarHBondContact O-CD 3.06Å; K490-K494 VanDerWaalsContact O-CG 3.22Å; K490-K494 WeakPolarHBondContact O-CG 3.49Å; K490-K494 PolarHBondContact O-N 3.37Å; L491-K494 CarbonylContact O-C 3.56Å; L491-K494 WeakPolarHBondContact O-CB 3.01Å; L491-K494 PolarHBondContact O-N 3.44Å; L491-K494 VanDerWaalsContact O-N 3.12Å; F492-K494 PolarHBondContact O-N 3.36Å; F492-K494 VanDerWaalsContact O-N 3.07Å; K494-P496 VanDerWaalsContact C-CD 3.44Å; K494-P496 VanDerWaalsContact O-CD 3.3Å; K494-P496 WeakPolarHBondContact O-CD 3.42Å; K494-L542 HydrophobicContact CG-CD1 4.17Å |
| 495 | K | 85.1 | Confident | 87.1 | Confident | 40 Ų | 40 | 47 Ų | 47 | 17% | 0.174 | 23% | 0.234 | C | C | . | . | trans | -115.7 | 67.6 | 178.1 | -63.6 | -174.4 | -177 | 173.2 | 0 | 111.5 | A456 I459 D460 L491 T497 T499 | A456-K495 VanDerWaalsContact O-CE 3.26Å; A456-K495 WeakPolarHBondContact O-CE 3.34Å; I459-K495 PolarHBondContact O-NZ 2.77Å; D460-K495 PolarHBondContact O-NZ 2.97Å; L491-K495 HydrophobicContact CD1-CB 4.29Å; L491-K495 HydrophobicContact CD1-CD 4.12Å; L491-K495 HydrophobicContact CD1-CG 4.37Å; L491-K495 PolarHBondContact O-N 3.31Å; K495-T497 PolarHBondContact O-N 3.27Å; K495-T497 VanDerWaalsContact O-N 3.11Å; K495-T499 HydrophobicContact CB-CG2 4.35Å; K495-T499 WeakPolarHBondContact O-CG2 3.35Å; K495-T499 PolarHBondContact O-OG1 2.88Å | ||
| 496 | P | 80.8 | Confident | 87 | Confident | 62 Ų | 62 | 47 Ų | 47 | 40% | 0.403 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -8.2 | -171.3 | 28.4 | -37.1 | 0 | 0 | 0 | 115.5 | F492 K494 Q500 | F492-P496 HydrophobicContact CD2-CB 4.22Å; F492-P496 HydrophobicContact CE2-CB 3.98Å; F492-P496 VanDerWaalsContact O-CA 3.27Å; F492-P496 WeakPolarHBondContact O-CA 3.23Å; F492-P496 WeakPolarHBondContact O-CB 3.35Å; F492-P496 WeakPolarHBondContact O-CD 3.34Å; K494-P496 VanDerWaalsContact C-CD 3.44Å; K494-P496 VanDerWaalsContact O-CD 3.3Å; K494-P496 WeakPolarHBondContact O-CD 3.42Å; P496-Q500 PolarHBondContact O-NE2 2.9Å |
| 497 | T | 78.1 | Confident | 87 | Confident | 120 Ų | 120 | 46.8 Ų | 46.8 | 74% | 0.736 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -36 | -175.4 | -34.5 | 0 | 0 | 0 | 0 | 112.8 | K495 | K495-T497 PolarHBondContact O-N 3.27Å; K495-T497 VanDerWaalsContact O-N 3.11Å |
| 498 | E | 76.3 | Confident | 86.9 | Confident | 133 Ų | 133 | 48.7 Ų | 48.7 | 62% | 0.621 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -12.6 | -169.1 | -70.6 | 146.4 | 161 | 0 | 0 | 112.7 | ||
| 499 | T | 80.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -117.4 | 9.6 | -160.9 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | L491 F492 K495 E501 L502 V503 | L491-T499 HydrophobicContact CD1-CG2 4.02Å; L491-T499 HydrophobicContact CD2-CG2 3.83Å; L491-T499 HydrophobicContact CG-CG2 3.64Å; F492-T499 WeakPolarHBondContact CA-OG1 3.47Å; K495-T499 HydrophobicContact CB-CG2 4.35Å; K495-T499 WeakPolarHBondContact O-CG2 3.35Å; K495-T499 PolarHBondContact O-OG1 2.88Å; T499-E501 PolarHBondContact O-N 2.94Å; T499-L502 PolarHBondContact O-N 3.03Å; T499-V503 WeakPolarHBondContact O-CG2 3.49Å; T499-V503 PolarHBondContact O-N 3.11Å; T499-V503 VanDerWaalsContact O-N 3.1Å | ||
| 500 | Q | 84 | Confident | 86.7 | Confident | 118 Ų | 118 | 49.9 Ų | 49.9 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.2 | -41 | -179.1 | -75.1 | 174.3 | 33.8 | 0 | 0 | 112.6 | F492 P496 V503 Q504 | F492-Q500 HydrophobicContact CD2-CG 4.35Å; F492-Q500 HydrophobicContact CE2-CG 3.68Å; P496-Q500 PolarHBondContact O-NE2 2.9Å; Q500-V503 PolarHBondContact O-N 3.34Å; Q500-Q504 WeakPolarHBondContact O-CB 3.49Å; Q500-Q504 PolarHBondContact O-N 3.39Å |
| 501 | E | 87.3 | Confident | 86.6 | Confident | 165 Ų | 165 | 50.6 Ų | 50.6 | 77% | 0.771 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.9 | -44.3 | -179.4 | -57.8 | -167.5 | 158.9 | 0 | 0 | 110.9 | T499 V503 Q504 Q505 | T499-E501 PolarHBondContact O-N 2.94Å; E501-V503 PolarHBondContact O-N 3.21Å; E501-Q504 PolarHBondContact O-N 2.9Å; E501-Q504 VanDerWaalsContact O-N 3.17Å; E501-Q505 WeakPolarHBondContact O-CB 3.42Å; E501-Q505 PolarHBondContact O-N 2.85Å |
| 502 | L | 87.2 | Confident | 86.5 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 174.1 | -63.8 | 174.7 | 0 | 0 | 0 | 112.7 | D463 E467 L470 I488 T499 V506 | D463-L502 HydrophobicContact CB-CD1 4.17Å; E467-L502 HydrophobicContact CB-CD2 3.85Å; E467-L502 HydrophobicContact CG-CD2 3.85Å; L470-L502 HydrophobicContact CD2-CD2 4.18Å; I488-L502 HydrophobicContact CG2-CB 4.17Å; T499-L502 PolarHBondContact O-N 3.03Å; L502-V506 WeakPolarHBondContact O-CG1 3.35Å; L502-V506 PolarHBondContact O-N 3.33Å |
| 503 | V | 89.5 | Confident | 86.1 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 174.5 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | I488 F492 T499 Q500 E501 Q505 L507 L530 | I488-V503 HydrophobicContact CG2-CB 4.49Å; I488-V503 HydrophobicContact CG2-CG2 3.78Å; F492-V503 HydrophobicContact CB-CG2 3.35Å; F492-V503 HydrophobicContact CD1-CG2 4.23Å; F492-V503 HydrophobicContact CD2-CG2 4.08Å; F492-V503 HydrophobicContact CG-CG2 3.64Å; T499-V503 WeakPolarHBondContact O-CG2 3.49Å; T499-V503 PolarHBondContact O-N 3.11Å; T499-V503 VanDerWaalsContact O-N 3.1Å; Q500-V503 PolarHBondContact O-N 3.34Å; E501-V503 PolarHBondContact O-N 3.21Å; V503-Q505 VanDerWaalsContact C-N 3.32Å; V503-Q505 PolarHBondContact O-N 3.4Å; V503-L507 HydrophobicContact CG1-CD1 3.64Å; V503-L507 HydrophobicContact CG1-CG 4.34Å; V503-L507 VanDerWaalsContact O-CB 3.28Å; V503-L507 WeakPolarHBondContact O-CB 3.34Å; V503-L507 VanDerWaalsContact O-CG 3.22Å; V503-L507 WeakPolarHBondContact O-CG 3.45Å; V503-L507 PolarHBondContact O-N 3.35Å; V503-L530 HydrophobicContact CG1-CD1 4.23Å |
| 504 | Q | 88.9 | Confident | 86 | Confident | 147 Ų | 147 | 59.8 Ų | 59.8 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | -179.8 | -176.4 | 171.8 | -23.6 | 0 | 0 | 111 | Q500 E501 L507 S508 | Q500-Q504 WeakPolarHBondContact O-CB 3.49Å; Q500-Q504 PolarHBondContact O-N 3.39Å; E501-Q504 PolarHBondContact O-N 2.9Å; E501-Q504 VanDerWaalsContact O-N 3.17Å; Q504-L507 PolarHBondContact O-N 3.35Å; Q504-S508 PolarHBondContact O-N 3.3Å; Q504-S508 PolarHBondContact O-OG 3.23Å; Q504-S508 VanDerWaalsContact O-OG 3.1Å |
| 505 | Q | 90.1 | Very high | 85.8 | Confident | 76 Ų | 76 | 65.6 Ų | 65.6 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.6 | -51.6 | 178.5 | -177.2 | 176.7 | -10 | 0 | 0 | 112.3 | L470 E501 V503 L507 S508 L509 | L470-Q505 HydrophobicContact CD2-CB 4.11Å; L470-Q505 HydrophobicContact CD2-CG 3.83Å; L470-Q505 HydrophobicContact CG-CG 4.4Å; E501-Q505 WeakPolarHBondContact O-CB 3.42Å; E501-Q505 PolarHBondContact O-N 2.85Å; V503-Q505 VanDerWaalsContact C-N 3.32Å; V503-Q505 PolarHBondContact O-N 3.4Å; Q505-L507 VanDerWaalsContact C-N 3.27Å; Q505-L507 PolarHBondContact O-N 3.01Å; Q505-S508 WeakPolarHBondContact CA-OG 3.48Å; Q505-S508 PolarHBondContact O-N 3.47Å; Q505-S508 PolarHBondContact O-OG 3.19Å; Q505-L509 HydrophobicContact CG-CD1 3.93Å; Q505-L509 VanDerWaalsContact O-CG 3.26Å; Q505-L509 WeakPolarHBondContact O-CG 3.33Å; Q505-L509 PolarHBondContact O-N 3.3Å |
| 506 | V | 91.4 | Very high | 86 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.8 | -32.7 | 178.5 | 75.8 | 0 | 0 | 0 | 0 | 112 | L470 F473 L485 I488 L502 A510 | L470-V506 HydrophobicContact CD1-CB 3.69Å; L470-V506 HydrophobicContact CD1-CG2 3.68Å; L470-V506 HydrophobicContact CD2-CB 4.4Å; F473-V506 HydrophobicContact CE2-CG2 4.17Å; L485-V506 HydrophobicContact CB-CG2 4.26Å; L485-V506 HydrophobicContact CD1-CG1 4.01Å; L485-V506 HydrophobicContact CD1-CG2 4.21Å; I488-V506 HydrophobicContact CB-CG1 4.13Å; I488-V506 HydrophobicContact CD1-CB 3.96Å; I488-V506 HydrophobicContact CD1-CG1 4.12Å; I488-V506 HydrophobicContact CD1-CG2 4.14Å; I488-V506 HydrophobicContact CG2-CG1 3.82Å; L502-V506 WeakPolarHBondContact O-CG1 3.35Å; L502-V506 PolarHBondContact O-N 3.33Å; V506-A510 WeakPolarHBondContact O-CB 3.32Å; V506-A510 PolarHBondContact O-N 3.39Å |
| 507 | L | 90.8 | Very high | 86.4 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 6% | 0.063 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.1 | -35.9 | 175.1 | -72 | 174.6 | 0 | 0 | 0 | 112.7 | L485 V503 Q504 Q505 T511 G523 W527 | L485-L507 HydrophobicContact CD1-CD2 3.81Å; V503-L507 HydrophobicContact CG1-CD1 3.64Å; V503-L507 HydrophobicContact CG1-CG 4.34Å; V503-L507 VanDerWaalsContact O-CB 3.28Å; V503-L507 WeakPolarHBondContact O-CB 3.34Å; V503-L507 VanDerWaalsContact O-CG 3.22Å; V503-L507 WeakPolarHBondContact O-CG 3.45Å; V503-L507 PolarHBondContact O-N 3.35Å; Q504-L507 PolarHBondContact O-N 3.35Å; Q505-L507 VanDerWaalsContact C-N 3.27Å; Q505-L507 PolarHBondContact O-N 3.01Å; L507-T511 WeakPolarHBondContact O-CB 3.45Å; L507-T511 VanDerWaalsContact O-CG2 3.32Å; L507-T511 WeakPolarHBondContact O-CG2 3.24Å; L507-T511 PolarHBondContact O-N 2.9Å; L507-T511 VanDerWaalsContact O-N 3.09Å; L507-T511 PolarHBondContact O-OG1 3.03Å; L507-G523 WeakPolarHBondContact CD2-O 3.41Å; L507-W527 HydrophobicContact CD1-CB 4.14Å; L507-W527 HydrophobicContact CD2-CB 4.36Å |
| 508 | S | 90.5 | Very high | 87 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 28% | 0.28 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.1 | -49.8 | 171.5 | 44.7 | 0 | 0 | 0 | 0 | 111.4 | Q504 Q505 A510 T511 Q512 | Q504-S508 PolarHBondContact O-N 3.3Å; Q504-S508 PolarHBondContact O-OG 3.23Å; Q504-S508 VanDerWaalsContact O-OG 3.1Å; Q505-S508 WeakPolarHBondContact CA-OG 3.48Å; Q505-S508 PolarHBondContact O-N 3.47Å; Q505-S508 PolarHBondContact O-OG 3.19Å; S508-A510 VanDerWaalsContact C-N 3.34Å; S508-A510 PolarHBondContact O-N 3.44Å; S508-T511 PolarHBondContact O-N 3.46Å; S508-T511 VanDerWaalsContact O-N 3.16Å; S508-Q512 WeakPolarHBondContact O-CB 3.41Å; S508-Q512 PolarHBondContact O-N 3.28Å |
| 509 | L | 88.8 | Confident | 87.7 | Confident | 27 Ų | 27 | 59.2 Ų | 59.2 | 14% | 0.141 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | -179.3 | -65.7 | 167.7 | 0 | 0 | 0 | 111.7 | L470 F473 Q505 D513 S514 | L470-L509 HydrophobicContact CD1-CD1 3.96Å; L470-L509 HydrophobicContact CG-CD1 4.33Å; F473-L509 HydrophobicContact CB-CD1 4.41Å; F473-L509 HydrophobicContact CD1-CB 3.75Å; F473-L509 HydrophobicContact CD1-CD1 4.31Å; F473-L509 HydrophobicContact CE1-CB 3.68Å; F473-L509 HydrophobicContact CG-CD1 4.44Å; F473-L509 HydrophobicContact CZ-CB 4.42Å; Q505-L509 HydrophobicContact CG-CD1 3.93Å; Q505-L509 VanDerWaalsContact O-CG 3.26Å; Q505-L509 WeakPolarHBondContact O-CG 3.33Å; Q505-L509 PolarHBondContact O-N 3.3Å; L509-D513 CarbonylContact O-C 3.58Å; L509-D513 PolarHBondContact O-N 3.22Å; L509-S514 PolarHBondContact O-N 2.97Å |
| 510 | A | 89.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.8 | -27.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | F473 L485 V506 S508 L519 R520 | F473-A510 HydrophobicContact CZ-CB 4.2Å; L485-A510 HydrophobicContact CD2-CB 4.31Å; V506-A510 WeakPolarHBondContact O-CB 3.32Å; V506-A510 PolarHBondContact O-N 3.39Å; S508-A510 VanDerWaalsContact C-N 3.34Å; S508-A510 PolarHBondContact O-N 3.44Å; A510-L519 HydrophobicContact CB-CD1 4.23Å; A510-L519 HydrophobicContact CB-CG 4.26Å; A510-R520 WeakPolarHBondContact O-CA 3.43Å |
| 511 | T | 88.1 | Confident | 88.6 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -101.3 | -28.8 | -174.6 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | L507 S508 Y524 | L507-T511 WeakPolarHBondContact O-CB 3.45Å; L507-T511 VanDerWaalsContact O-CG2 3.32Å; L507-T511 WeakPolarHBondContact O-CG2 3.24Å; L507-T511 PolarHBondContact O-N 2.9Å; L507-T511 VanDerWaalsContact O-N 3.09Å; L507-T511 PolarHBondContact O-OG1 3.03Å; S508-T511 PolarHBondContact O-N 3.46Å; S508-T511 VanDerWaalsContact O-N 3.16Å; T511-Y524 HydrophobicContact CG2-CD1 3.79Å; T511-Y524 HydrophobicContact CG2-CE1 3.83Å; T511-Y524 HydrophobicContact CG2-CG 4.17Å |
| 512 | Q | 86.9 | Confident | 88.7 | Confident | 139 Ų | 139 | 58.8 Ų | 58.8 | 65% | 0.65 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -46.7 | -178 | -56.8 | -172.8 | 33.5 | 0 | 0 | 111.1 | S508 | S508-Q512 WeakPolarHBondContact O-CB 3.41Å; S508-Q512 PolarHBondContact O-N 3.28Å |
| 513 | D | 82.5 | Confident | 88.9 | Confident | 91 Ų | 91 | 58.2 Ų | 58.2 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -102.6 | -0.2 | -165.9 | -49.4 | -64.4 | 0 | 0 | 0 | 114.1 | L509 | L509-D513 CarbonylContact O-C 3.58Å; L509-D513 PolarHBondContact O-N 3.22Å |
| 514 | S | 83.1 | Confident | 89 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 7% | 0.07 | 31% | 0.307 | C | S | . | . | trans | -101.5 | 125.7 | 175.3 | -171.8 | 0 | 0 | 0 | 0 | 112.8 | L509 N516 L519 R520 | L509-S514 PolarHBondContact O-N 2.97Å; S514-N516 VanDerWaalsContact C-N 3.3Å; S514-N516 PolarHBondContact O-N 3.48Å; S514-N516 PolarHBondContact OG-N 2.87Å; S514-L519 WeakPolarHBondContact OG-CD2 3.4Å; S514-R520 PolarHBondContact O-NE 3.3Å; S514-R520 VanDerWaalsContact O-NE 3.13Å; S514-R520 PolarHBondContact O-NH2 3.09Å | ||
| 515 | D | 83.4 | Confident | 89.1 | Confident | 157 Ų | 157 | 59.1 Ų | 59.1 | 84% | 0.84 | 30% | 0.299 | S | S | * | . | trans | -74.7 | -13.3 | 174.4 | -73.4 | -35.9 | 0 | 0 | 0 | 114 | P517 | D515-P517 WeakPolarHBondContact O-CD 3.48Š| ||
| 516 | N | 88.1 | Confident | 89.1 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | trans | -81.1 | 122.1 | -174.9 | -174.2 | -73.2 | 0 | 0 | 0 | 112 | T478 S514 D518 L519 R520 | T478-N516 HydrophobicContact CG2-CB 4.41Å; S514-N516 VanDerWaalsContact C-N 3.3Å; S514-N516 PolarHBondContact O-N 3.48Å; S514-N516 PolarHBondContact OG-N 2.87Å; N516-D518 PolarHBondContact O-N 2.9Å; N516-D518 PolarHBondContact OD1-N 3.1Å; N516-L519 HydrophobicContact CB-CB 4.09Å; N516-L519 PolarHBondContact O-N 3.13Å; N516-L519 PolarHBondContact OD1-N 3.09Å; N516-L519 VanDerWaalsContact OD1-N 3.14Å; N516-R520 WeakPolarHBondContact O-CB 3.44Å; N516-R520 PolarHBondContact O-N 2.8Å | ||
| 517 | P | 89.6 | Confident | 89 | Confident | 94 Ų | 94 | 63.5 Ų | 63.5 | 61% | 0.61 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.8 | -38.8 | -177.4 | -25.4 | 35.9 | 0 | 0 | 0 | 115.1 | D515 R520 D521 | D515-P517 WeakPolarHBondContact O-CD 3.48Å; P517-R520 PolarHBondContact O-N 3.11Å; P517-D521 WeakPolarHBondContact O-CB 3.24Å; P517-D521 PolarHBondContact O-N 3.23Å |
| 518 | D | 90.1 | Very high | 88.9 | Confident | 73 Ų | 73 | 70 Ų | 70 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 179.3 | -175.7 | 72.5 | 0 | 0 | 0 | 110.7 | L482 N516 R520 D521 R522 | L482-D518 WeakPolarHBondContact CD2-OD2 3.09Å; N516-D518 PolarHBondContact O-N 2.9Å; N516-D518 PolarHBondContact OD1-N 3.1Å; D518-R520 VanDerWaalsContact C-N 3.33Å; D518-R520 PolarHBondContact O-N 2.72Å; D518-D521 PolarHBondContact O-N 3.36Å; D518-R522 WeakPolarHBondContact O-CB 3.28Å; D518-R522 PolarHBondContact O-N 3.05Å; D518-R522 IonicContact OD2-NH1 3.13Å; D518-R522 PolarHBondContact OD2-NH1 2.91Å; D518-R522 VanDerWaalsContact OD2-NH1 3.13Å |
| 519 | L | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 177.2 | -178.4 | 55.8 | 0 | 0 | 0 | 111.8 | F473 Q481 L482 L485 A510 S514 N516 G523 | F473-L519 HydrophobicContact CZ-CD2 4.07Å; Q481-L519 HydrophobicContact CB-CD1 4.4Å; Q481-L519 HydrophobicContact CB-CD2 3.59Å; Q481-L519 HydrophobicContact CG-CD2 4.3Å; Q481-L519 VanDerWaalsContact OE1-CD2 3.26Å; L482-L519 HydrophobicContact CD2-CB 4.12Å; L482-L519 HydrophobicContact CD2-CD1 3.78Å; L482-L519 HydrophobicContact CG-CD1 4.11Å; L485-L519 HydrophobicContact CB-CD1 4.49Å; L485-L519 HydrophobicContact CD2-CD1 3.72Å; A510-L519 HydrophobicContact CB-CD1 4.23Å; A510-L519 HydrophobicContact CB-CG 4.26Å; S514-L519 WeakPolarHBondContact OG-CD2 3.4Å; N516-L519 HydrophobicContact CB-CB 4.09Å; N516-L519 PolarHBondContact O-N 3.13Å; N516-L519 PolarHBondContact OD1-N 3.09Å; N516-L519 VanDerWaalsContact OD1-N 3.14Å; L519-G523 PolarHBondContact O-N 3.21Å |
| 520 | R | 92.1 | Very high | 88.7 | Confident | 84 Ų | 84 | 70 Ų | 70 | 32% | 0.317 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.7 | -49.8 | 177.4 | -175.6 | 179.2 | -67.7 | -149.2 | -0.8 | 112.5 | A510 S514 N516 P517 D518 G523 Y524 | A510-R520 WeakPolarHBondContact O-CA 3.43Å; S514-R520 PolarHBondContact O-NE 3.3Å; S514-R520 VanDerWaalsContact O-NE 3.13Å; S514-R520 PolarHBondContact O-NH2 3.09Å; N516-R520 WeakPolarHBondContact O-CB 3.44Å; N516-R520 PolarHBondContact O-N 2.8Å; P517-R520 PolarHBondContact O-N 3.11Å; D518-R520 VanDerWaalsContact C-N 3.33Å; D518-R520 PolarHBondContact O-N 2.72Å; R520-G523 PolarHBondContact O-N 3.26Å; R520-Y524 HydrophobicContact CG-CD2 4.24Å; R520-Y524 HydrophobicContact CG-CE2 3.83Å; R520-Y524 WeakPolarHBondContact O-CD2 3.45Å; R520-Y524 PolarHBondContact O-N 2.95Å |
| 521 | D | 91.6 | Very high | 88.6 | Confident | 97 Ų | 97 | 73.7 Ų | 73.7 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.1 | -37 | 178.6 | -89.2 | -8.3 | 0 | 0 | 0 | 111.9 | P517 D518 G523 Y524 I525 | P517-D521 WeakPolarHBondContact O-CB 3.24Å; P517-D521 PolarHBondContact O-N 3.23Å; D518-D521 PolarHBondContact O-N 3.36Å; D521-G523 VanDerWaalsContact C-N 3.33Å; D521-G523 PolarHBondContact O-N 3.17Å; D521-Y524 CarbonylContact O-C 3.41Å; D521-Y524 PolarHBondContact O-N 3.31Å; D521-I525 WeakPolarHBondContact O-CB 3.38Å; D521-I525 VanDerWaalsContact O-CG1 3.26Å; D521-I525 WeakPolarHBondContact O-CG1 3.48Å; D521-I525 PolarHBondContact O-N 2.76Å |
| 522 | R | 90.8 | Very high | 88.6 | Confident | 93 Ų | 93 | 78.7 Ų | 78.7 | 35% | 0.351 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 173.1 | -163.9 | -178.9 | -148.8 | 120.9 | 1.3 | 111.8 | L482 L485 D518 I525 Y526 | L482-R522 VanDerWaalsContact CD2-CD 3.41Å; L485-R522 HydrophobicContact CD2-CG 4.5Å; D518-R522 WeakPolarHBondContact O-CB 3.28Å; D518-R522 PolarHBondContact O-N 3.05Å; D518-R522 IonicContact OD2-NH1 3.13Å; D518-R522 PolarHBondContact OD2-NH1 2.91Å; D518-R522 VanDerWaalsContact OD2-NH1 3.13Å; R522-I525 PolarHBondContact O-N 2.79Å; R522-Y526 HydrophobicContact CG-CD2 4.18Å; R522-Y526 HydrophobicContact CG-CE2 3.78Å; R522-Y526 VanDerWaalsContact O-CD2 3.26Å; R522-Y526 WeakPolarHBondContact O-CD2 3.36Å; R522-Y526 PolarHBondContact O-N 3.25Å |
| 523 | G | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.5 | -49.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L507 L519 R520 D521 I525 Y526 W527 | L507-G523 WeakPolarHBondContact CD2-O 3.41Å; L519-G523 PolarHBondContact O-N 3.21Å; R520-G523 PolarHBondContact O-N 3.26Å; D521-G523 VanDerWaalsContact C-N 3.33Å; D521-G523 PolarHBondContact O-N 3.17Å; G523-I525 VanDerWaalsContact C-N 3.35Å; G523-I525 PolarHBondContact O-N 2.92Å; G523-Y526 PolarHBondContact O-N 3.44Å; G523-W527 WeakPolarHBondContact O-CB 3.49Å; G523-W527 PolarHBondContact O-N 2.94Å |
| 524 | Y | 90.8 | Very high | 88.5 | Confident | 79 Ų | 79 | 74.5 Ų | 74.5 | 31% | 0.31 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.2 | -35.1 | 175.3 | -73.4 | -48.1 | 0 | 0 | 0 | 113.6 | T511 R520 D521 R528 | T511-Y524 HydrophobicContact CG2-CD1 3.79Å; T511-Y524 HydrophobicContact CG2-CE1 3.83Å; T511-Y524 HydrophobicContact CG2-CG 4.17Å; R520-Y524 HydrophobicContact CG-CD2 4.24Å; R520-Y524 HydrophobicContact CG-CE2 3.83Å; R520-Y524 WeakPolarHBondContact O-CD2 3.45Å; R520-Y524 PolarHBondContact O-N 2.95Å; D521-Y524 CarbonylContact O-C 3.41Å; D521-Y524 PolarHBondContact O-N 3.31Å; Y524-R528 VanDerWaalsContact O-CB 3.32Å; Y524-R528 WeakPolarHBondContact O-CB 3.42Å; Y524-R528 WeakPolarHBondContact O-CG 3.38Å; Y524-R528 PolarHBondContact O-N 3.43Å |
| 525 | I | 91.4 | Very high | 88.5 | Confident | 101 Ų | 101 | 78.5 Ų | 78.5 | 52% | 0.518 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.1 | -49.7 | 174.9 | -72 | 162.8 | 0 | 0 | 0 | 109.9 | D521 R522 G523 R528 L529 | D521-I525 WeakPolarHBondContact O-CB 3.38Å; D521-I525 VanDerWaalsContact O-CG1 3.26Å; D521-I525 WeakPolarHBondContact O-CG1 3.48Å; D521-I525 PolarHBondContact O-N 2.76Å; R522-I525 PolarHBondContact O-N 2.79Å; G523-I525 VanDerWaalsContact C-N 3.35Å; G523-I525 PolarHBondContact O-N 2.92Å; I525-R528 PolarHBondContact O-N 3.25Å; I525-L529 WeakPolarHBondContact O-CB 3.38Å; I525-L529 PolarHBondContact O-N 3.49Å |
| 526 | Y | 90.3 | Very high | 88.5 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 10% | 0.102 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 176.6 | -73.6 | -49.7 | 0 | 0 | 0 | 112.3 | L485 T486 V489 R522 G523 R528 L529 L530 V541 | L485-Y526 HydrophobicContact CD1-CD2 4.13Å; L485-Y526 HydrophobicContact CD2-CD2 3.99Å; L485-Y526 HydrophobicContact CD2-CE2 4.24Å; L485-Y526 HydrophobicContact CG-CD2 3.82Å; L485-Y526 HydrophobicContact CG-CE2 4.02Å; T486-Y526 PolarHBondContact OG1-OH 3.38Å; V489-Y526 HydrophobicContact CB-CD1 4.45Å; V489-Y526 HydrophobicContact CG1-CD1 3.82Å; V489-Y526 HydrophobicContact CG1-CE1 4.08Å; V489-Y526 HydrophobicContact CG1-CG 4.33Å; V489-Y526 HydrophobicContact CG2-CD1 4.26Å; V489-Y526 HydrophobicContact CG2-CD2 4.13Å; V489-Y526 HydrophobicContact CG2-CG 3.92Å; R522-Y526 HydrophobicContact CG-CD2 4.18Å; R522-Y526 HydrophobicContact CG-CE2 3.78Å; R522-Y526 VanDerWaalsContact O-CD2 3.26Å; R522-Y526 WeakPolarHBondContact O-CD2 3.36Å; R522-Y526 PolarHBondContact O-N 3.25Å; G523-Y526 PolarHBondContact O-N 3.44Å; Y526-R528 PolarHBondContact O-N 2.72Å; Y526-L529 PolarHBondContact O-N 3Å; Y526-L530 WeakPolarHBondContact O-CB 3.4Å; Y526-L530 VanDerWaalsContact O-CG 3.28Å; Y526-L530 WeakPolarHBondContact O-CG 3.27Å; Y526-L530 PolarHBondContact O-N 3.04Å; Y526-V541 HydrophobicContact CE1-CG2 4.08Å |
| 527 | W | 88.4 | Confident | 88.3 | Confident | 141 Ų | 141 | 70 Ų | 70 | 53% | 0.534 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 176.9 | 179.3 | 69.4 | 0 | 0 | 0 | 112.2 | L507 G523 S531 | L507-W527 HydrophobicContact CD1-CB 4.14Å; L507-W527 HydrophobicContact CD2-CB 4.36Å; G523-W527 WeakPolarHBondContact O-CB 3.49Å; G523-W527 PolarHBondContact O-N 2.94Å; W527-S531 WeakPolarHBondContact O-CB 3.37Å; W527-S531 PolarHBondContact O-N 3.12Å; W527-S531 PolarHBondContact O-OG 2.76Å |
| 528 | R | 89.7 | Confident | 88 | Confident | 150 Ų | 150 | 70.1 Ų | 70.1 | 57% | 0.566 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.2 | -43.9 | 176.7 | -72.3 | 171.4 | -170.3 | 167.7 | 8.2 | 111.8 | Y524 I525 Y526 S531 T532 | Y524-R528 VanDerWaalsContact O-CB 3.32Å; Y524-R528 WeakPolarHBondContact O-CB 3.42Å; Y524-R528 WeakPolarHBondContact O-CG 3.38Å; Y524-R528 PolarHBondContact O-N 3.43Å; I525-R528 PolarHBondContact O-N 3.25Å; Y526-R528 PolarHBondContact O-N 2.72Å; R528-S531 PolarHBondContact O-N 3.36Å; R528-T532 VanDerWaalsContact O-CB 3.25Å; R528-T532 WeakPolarHBondContact O-CB 3.32Å; R528-T532 PolarHBondContact O-N 3.49Å; R528-T532 PolarHBondContact O-OG1 2.84Å |
| 529 | L | 88.8 | Confident | 87.8 | Confident | 46 Ų | 46 | 73.5 Ų | 73.5 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.5 | -51.3 | -178.6 | -177.3 | 59.7 | 0 | 0 | 0 | 111.1 | I525 Y526 S531 T532 D533 A537 V541 | I525-L529 WeakPolarHBondContact O-CB 3.38Å; I525-L529 PolarHBondContact O-N 3.49Å; Y526-L529 PolarHBondContact O-N 3Å; L529-S531 PolarHBondContact O-N 2.87Å; L529-T532 PolarHBondContact O-N 2.84Å; L529-D533 CarbonylContact O-C 3.53Å; L529-D533 PolarHBondContact O-N 3.3Å; L529-A537 HydrophobicContact CD1-CB 4.23Å; L529-A537 HydrophobicContact CD2-CB 4.18Å; L529-A537 HydrophobicContact CG-CB 3.69Å; L529-V541 HydrophobicContact CD2-CG2 4.09Å |
| 530 | L | 87.1 | Confident | 87.5 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 10% | 0.099 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.1 | -34.1 | 177.4 | -62.5 | 171.2 | 0 | 0 | 0 | 112.8 | V489 F492 L493 V503 Y526 P534 A537 | V489-L530 HydrophobicContact CG1-CD1 4.22Å; V489-L530 HydrophobicContact CG1-CD2 4.46Å; V489-L530 HydrophobicContact CG2-CD1 4.26Å; F492-L530 HydrophobicContact CD1-CD1 4.19Å; F492-L530 HydrophobicContact CD1-CD2 4.02Å; F492-L530 HydrophobicContact CE1-CD1 4.37Å; F492-L530 HydrophobicContact CE1-CD2 4.05Å; L493-L530 HydrophobicContact CD2-CD2 3.77Å; L493-L530 HydrophobicContact CG-CD2 4.2Å; V503-L530 HydrophobicContact CG1-CD1 4.23Å; Y526-L530 WeakPolarHBondContact O-CB 3.4Å; Y526-L530 VanDerWaalsContact O-CG 3.28Å; Y526-L530 WeakPolarHBondContact O-CG 3.27Å; Y526-L530 PolarHBondContact O-N 3.04Å; L530-P534 WeakPolarHBondContact O-CG 3.41Å; L530-A537 HydrophobicContact CD2-CB 3.88Å |
| 531 | S | 85.9 | Confident | 87.1 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -79.1 | -19.2 | 178.6 | -55.2 | 0 | 0 | 0 | 0 | 114 | W527 R528 L529 | W527-S531 WeakPolarHBondContact O-CB 3.37Å; W527-S531 PolarHBondContact O-N 3.12Å; W527-S531 PolarHBondContact O-OG 2.76Å; R528-S531 PolarHBondContact O-N 3.36Å; L529-S531 PolarHBondContact O-N 2.87Å |
| 532 | T | 88.2 | Confident | 86.7 | Confident | 121 Ų | 121 | 72.9 Ų | 72.9 | 74% | 0.742 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -95.4 | -50.2 | -178.8 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | R528 L529 | R528-T532 VanDerWaalsContact O-CB 3.25Å; R528-T532 WeakPolarHBondContact O-CB 3.32Å; R528-T532 PolarHBondContact O-N 3.49Å; R528-T532 PolarHBondContact O-OG1 2.84Å; L529-T532 PolarHBondContact O-N 2.84Å |
| 533 | D | 87.3 | Confident | 86.2 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | trans | -155.3 | 99.9 | 178.8 | -176.4 | 0.5 | 0 | 0 | 0 | 111.7 | L529 V535 A536 A537 | L529-D533 CarbonylContact O-C 3.53Å; L529-D533 PolarHBondContact O-N 3.3Å; D533-V535 PolarHBondContact O-N 2.87Å; D533-V535 WeakPolarHBondContact OD1-CA 3.33Å; D533-V535 VanDerWaalsContact OD1-CB 3.29Å; D533-V535 WeakPolarHBondContact OD1-CB 3.23Å; D533-V535 PolarHBondContact OD1-N 2.81Å; D533-A536 HydrophobicContact CB-CB 4.06Å; D533-A536 PolarHBondContact O-N 3.43Å; D533-A536 PolarHBondContact OD1-N 3.41Å; D533-A536 VanDerWaalsContact OD2-CB 3.3Å; D533-A536 WeakPolarHBondContact OD2-CB 3.24Å; D533-A536 PolarHBondContact OD2-N 3.24Å; D533-A537 WeakPolarHBondContact O-CB 3.45Å; D533-A537 PolarHBondContact O-N 2.85Å | ||
| 534 | P | 80.4 | Confident | 85.4 | Confident | 73 Ų | 73 | 79.1 Ų | 79.1 | 47% | 0.474 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.6 | -21.9 | 173.3 | -24.4 | 33.8 | 0 | 0 | 0 | 115 | L530 K538 | L530-P534 WeakPolarHBondContact O-CG 3.41Å; P534-K538 WeakPolarHBondContact O-CB 3.35Å; P534-K538 PolarHBondContact O-N 3.21Å; P534-K538 VanDerWaalsContact O-N 3.08Å |
| 535 | V | 83.5 | Confident | 84.8 | Confident | 95 Ų | 95 | 80.7 Ų | 80.7 | 58% | 0.576 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -78.8 | -52.1 | -179.5 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | D533 A537 K538 E539 | D533-V535 PolarHBondContact O-N 2.87Å; D533-V535 WeakPolarHBondContact OD1-CA 3.33Å; D533-V535 VanDerWaalsContact OD1-CB 3.29Å; D533-V535 WeakPolarHBondContact OD1-CB 3.23Å; D533-V535 PolarHBondContact OD1-N 2.81Å; V535-A537 PolarHBondContact O-N 2.87Å; V535-K538 WeakPolarHBondContact O-CA 3.38Å; V535-K538 WeakPolarHBondContact O-CB 3.45Å; V535-K538 PolarHBondContact O-N 2.92Å; V535-E539 PolarHBondContact O-N 3.33Å |
| 536 | A | 82.5 | Confident | 84.1 | Confident | 33 Ų | 33 | 81.8 Ų | 81.8 | 27% | 0.273 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.8 | -35.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | D533 K538 E539 V540 | D533-A536 HydrophobicContact CB-CB 4.06Å; D533-A536 PolarHBondContact O-N 3.43Å; D533-A536 PolarHBondContact OD1-N 3.41Å; D533-A536 VanDerWaalsContact OD2-CB 3.3Å; D533-A536 WeakPolarHBondContact OD2-CB 3.24Å; D533-A536 PolarHBondContact OD2-N 3.24Å; A536-K538 VanDerWaalsContact C-N 3.3Å; A536-K538 PolarHBondContact O-N 2.84Å; A536-E539 PolarHBondContact O-N 3.1Å; A536-V540 WeakPolarHBondContact O-CB 3.49Å; A536-V540 WeakPolarHBondContact O-CG2 3.37Å; A536-V540 PolarHBondContact O-N 3.37Å |
| 537 | A | 83.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -57.8 | -42.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L493 L529 L530 D533 V535 V541 | L493-A537 HydrophobicContact CD2-CB 3.98Å; L529-A537 HydrophobicContact CD1-CB 4.23Å; L529-A537 HydrophobicContact CD2-CB 4.18Å; L529-A537 HydrophobicContact CG-CB 3.69Å; L530-A537 HydrophobicContact CD2-CB 3.88Å; D533-A537 WeakPolarHBondContact O-CB 3.45Å; D533-A537 PolarHBondContact O-N 2.85Å; V535-A537 PolarHBondContact O-N 2.87Å; A537-V541 VanDerWaalsContact O-CB 3.27Å; A537-V541 WeakPolarHBondContact O-CB 3.38Å; A537-V541 VanDerWaalsContact O-CG2 3.29Å; A537-V541 WeakPolarHBondContact O-CG2 3.33Å; A537-V541 PolarHBondContact O-N 2.9Å |
| 538 | K | 84.9 | Confident | 82.6 | Confident | 95 Ų | 95 | 79.8 Ų | 79.8 | 41% | 0.413 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66 | -45.6 | 177.5 | -167.1 | 165.3 | -179.6 | 138.9 | 0 | 111.9 | L493 P534 V535 A536 V540 L542 | L493-K538 HydrophobicContact CD2-CB 4.19Å; L493-K538 PolarHBondContact O-NZ 2.78Å; P534-K538 WeakPolarHBondContact O-CB 3.35Å; P534-K538 PolarHBondContact O-N 3.21Å; P534-K538 VanDerWaalsContact O-N 3.08Å; V535-K538 WeakPolarHBondContact O-CA 3.38Å; V535-K538 WeakPolarHBondContact O-CB 3.45Å; V535-K538 PolarHBondContact O-N 2.92Å; A536-K538 VanDerWaalsContact C-N 3.3Å; A536-K538 PolarHBondContact O-N 2.84Å; K538-V540 PolarHBondContact O-N 2.99Å; K538-L542 HydrophobicContact CD-CD1 4.4Å; K538-L542 HydrophobicContact CG-CD1 3.79Å; K538-L542 HydrophobicContact CG-CG 4.29Å; K538-L542 WeakPolarHBondContact O-CB 3.38Å; K538-L542 PolarHBondContact O-N 2.84Å |
| 539 | E | 84.2 | Confident | 81.4 | Confident | 145 Ų | 145 | 74.8 Ų | 74.8 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 177.9 | -68.4 | -174.4 | 168.7 | 0 | 0 | 112.5 | V535 A536 A543 | V535-E539 PolarHBondContact O-N 3.33Å; A536-E539 PolarHBondContact O-N 3.1Å; E539-A543 WeakPolarHBondContact O-CB 3.38Å; E539-A543 PolarHBondContact O-N 2.9Å |
| 540 | V | 85.2 | Confident | 80.1 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 61% | 0.612 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -78.5 | -43.4 | -178.8 | 173.9 | 0 | 0 | 0 | 0 | 112.7 | A536 K538 | A536-V540 WeakPolarHBondContact O-CB 3.49Å; A536-V540 WeakPolarHBondContact O-CG2 3.37Å; A536-V540 PolarHBondContact O-N 3.37Å; K538-V540 PolarHBondContact O-N 2.99Å |
| 541 | V | 83.8 | Confident | 78.5 | Confident | 16 Ų | 16 | 80.5 Ų | 80.5 | 10% | 0.097 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -84.4 | -30.7 | -171.6 | 178.8 | 0 | 0 | 0 | 0 | 112.7 | V489 K490 L493 Y526 L529 A537 | V489-V541 HydrophobicContact CG1-CG1 4.36Å; K490-V541 HydrophobicContact CG-CG1 4.13Å; L493-V541 HydrophobicContact CD1-CB 3.67Å; L493-V541 HydrophobicContact CD1-CG1 3.87Å; L493-V541 HydrophobicContact CD1-CG2 4.2Å; Y526-V541 HydrophobicContact CE1-CG2 4.08Å; L529-V541 HydrophobicContact CD2-CG2 4.09Å; A537-V541 VanDerWaalsContact O-CB 3.27Å; A537-V541 WeakPolarHBondContact O-CB 3.38Å; A537-V541 VanDerWaalsContact O-CG2 3.29Å; A537-V541 WeakPolarHBondContact O-CG2 3.33Å; A537-V541 PolarHBondContact O-N 2.9Å |
| 542 | L | 82.8 | Confident | 76.9 | Confident | 51 Ų | 51 | 82.7 Ų | 82.7 | 27% | 0.267 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -98.3 | 13.5 | 175.3 | -51.5 | -172.5 | 0 | 0 | 0 | 113.1 | K490 L493 K494 K538 | K490-L542 HydrophobicContact CB-CD2 4.27Å; K490-L542 HydrophobicContact CG-CD2 4Å; L493-L542 HydrophobicContact CB-CD1 4.25Å; L493-L542 HydrophobicContact CB-CG 4.48Å; K494-L542 HydrophobicContact CG-CD1 4.17Å; K538-L542 HydrophobicContact CD-CD1 4.4Å; K538-L542 HydrophobicContact CG-CD1 3.79Å; K538-L542 HydrophobicContact CG-CG 4.29Å; K538-L542 WeakPolarHBondContact O-CB 3.38Å; K538-L542 PolarHBondContact O-N 2.84Å |
| 543 | A | 81.8 | Confident | 75.6 | Confident | 47 Ų | 47 | 80.1 Ų | 80.1 | 39% | 0.388 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 137.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E539 K545 | E539-A543 WeakPolarHBondContact O-CB 3.38Å; E539-A543 PolarHBondContact O-N 2.9Å; A543-K545 WeakPolarHBondContact O-CG 3.29Å; A543-K545 PolarHBondContact O-N 2.93Å |
| 544 | E | 73.5 | Confident | 74.7 | Confident | 176 Ų | 176 | 81.5 Ų | 81.5 | 82% | 0.822 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 128.6 | 172.9 | -173.1 | 171.3 | -160.3 | 0 | 0 | 109.8 | ||
| 545 | K | 78.6 | Confident | 74.5 | Confident | 113 Ų | 113 | 79.5 Ų | 79.5 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 145.4 | -171.4 | -56.4 | -169.1 | -177.7 | -167.5 | 0 | 110.3 | A543 L547 | A543-K545 WeakPolarHBondContact O-CG 3.29Å; A543-K545 PolarHBondContact O-N 2.93Å; K545-L547 PolarHBondContact O-N 2.82Å |
| 546 | P | 75.8 | Confident | 74.3 | Confident | 124 Ų | 124 | 79.3 Ų | 79.3 | 81% | 0.805 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 129.8 | 174.7 | -27.9 | 35.4 | 0 | 0 | 0 | 112.1 | ||
| 547 | L | 75.6 | Confident | 74.1 | Confident | 96 Ų | 96 | 81.9 Ų | 81.9 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -63 | 139 | 177.7 | -59.5 | 177.7 | 0 | 0 | 0 | 110.1 | R419 K420 K545 | R419-L547 WeakPolarHBondContact O-CD2 3.48Å; K420-L547 HydrophobicContact CD-CB 4.41Å; K545-L547 PolarHBondContact O-N 2.82Å |
| 548 | I | 72.2 | Confident | 74.1 | Confident | 29 Ų | 29 | 85.4 Ų | 85.4 | 15% | 0.149 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 151.7 | 177.5 | 61.2 | 173.7 | 0 | 0 | 0 | 112.5 | I382 D416 R419 K420 | I382-I548 HydrophobicContact CD1-CD1 3.71Å; I382-I548 HydrophobicContact CG1-CD1 4.23Å; I382-I548 HydrophobicContact CG2-CD1 4.48Å; I382-I548 HydrophobicContact CG2-CG1 4.43Å; D416-I548 HydrophobicContact CB-CD1 3.86Å; D416-I548 WeakPolarHBondContact O-CD1 3.4Å; R419-I548 HydrophobicContact CB-CD1 4.48Å; R419-I548 HydrophobicContact CB-CG2 4.39Å; R419-I548 VanDerWaalsContact CZ-CG2 3.4Å; R419-I548 VanDerWaalsContact NH2-CG2 3.3Å; K420-I548 HydrophobicContact CB-CD1 4.49Å; K420-I548 HydrophobicContact CB-CG1 4.1Å; K420-I548 HydrophobicContact CD-CG1 4.34Å; K420-I548 WeakPolarHBondContact CD-O 3.35Å; K420-I548 WeakPolarHBondContact CE-O 3.44Å; K420-I548 PolarHBondContact NZ-O 2.88Å |
| 549 | S | 64.5 | Low | 74.1 | Confident | 44 Ų | 44 | 83 Ų | 83 | 31% | 0.308 | 45% | 0.45 | S | S | . | . | trans | -126.1 | 154.8 | 170.6 | 59 | 0 | 0 | 0 | 0 | 111.2 | E551 T552 | S549-E551 WeakPolarHBondContact CB-OE2 3.5Å; S549-E551 PolarHBondContact O-N 2.83Å; S549-E551 PolarHBondContact OG-OE2 3.36Å; S549-T552 PolarHBondContact O-OG1 2.73Å | ||
| 550 | E | 60.8 | Low | 74.1 | Confident | 53 Ų | 53 | 76.6 Ų | 76.6 | 25% | 0.248 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -66.1 | -11.6 | 175 | -160.9 | -171.9 | 177.9 | 0 | 0 | 111.9 | K383 T552 D553 | K383-E550 WeakPolarHBondContact CD-OE2 3.42Å; K383-E550 VanDerWaalsContact CE-OE2 3.31Å; K383-E550 WeakPolarHBondContact CE-OE2 3.43Å; K383-E550 WeakPolarHBondContact CG-OE2 3.28Å; K383-E550 VanDerWaalsContact NZ-CD 3.28Å; K383-E550 IonicContact NZ-OE1 3.21Å; K383-E550 PolarHBondContact NZ-OE1 2.88Å; K383-E550 IonicContact NZ-OE2 3.36Å; K383-E550 PolarHBondContact NZ-OE2 2.79Å; E550-T552 PolarHBondContact O-N 2.7Å; E550-T552 VanDerWaalsContact O-N 3.08Å; E550-D553 PolarHBondContact O-N 3.16Å |
| 551 | E | 54.3 | Low | 73.9 | Confident | 132 Ų | 132 | 74.3 Ų | 74.3 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -59.2 | -22.8 | -177.4 | -62.3 | 160.6 | 150 | 0 | 0 | 113.1 | S549 D553 L554 | S549-E551 WeakPolarHBondContact CB-OE2 3.5Å; S549-E551 PolarHBondContact O-N 2.83Å; S549-E551 PolarHBondContact OG-OE2 3.36Å; E551-D553 PolarHBondContact O-N 3.07Å; E551-L554 HydrophobicContact CB-CD1 4.22Å; E551-L554 HydrophobicContact CG-CD1 4.14Å; E551-L554 WeakPolarHBondContact O-CB 3.48Å; E551-L554 PolarHBondContact O-N 2.76Å |
| 552 | T | 51.4 | Low | 73.9 | Confident | 125 Ų | 125 | 74.4 Ų | 74.4 | 77% | 0.767 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -59 | -24.4 | 174.2 | -35.4 | 0 | 0 | 0 | 0 | 113.3 | S549 E550 | S549-T552 PolarHBondContact O-OG1 2.73Å; E550-T552 PolarHBondContact O-N 2.7Å; E550-T552 VanDerWaalsContact O-N 3.08Å |
| 553 | D | 61.8 | Low | 74 | Confident | 66 Ų | 66 | 72 Ų | 72 | 35% | 0.353 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -102 | 12.7 | 177.5 | -74.8 | -59 | 0 | 0 | 0 | 113.1 | R344 R379 E550 E551 | R344-D553 PolarHBondContact NH1-O 2.73Å; R344-D553 PolarHBondContact NH2-O 2.67Å; R379-D553 IonicContact CZ-OD1 2.68Å; R379-D553 IonicContact CZ-OD2 2.67Å; R379-D553 VanDerWaalsContact CZ-OD2 3.22Å; R379-D553 IonicContact NE-OD2 2.65Å; R379-D553 PolarHBondContact NE-OD2 2.84Å; R379-D553 IonicContact NH2-OD1 2.61Å; R379-D553 PolarHBondContact NH2-OD1 2.73Å; R379-D553 IonicContact NH2-OD2 3.25Å; R379-D553 PolarHBondContact NH2-OD2 2.84Å; E550-D553 PolarHBondContact O-N 3.16Å; E551-D553 PolarHBondContact O-N 3.07Å |
| 554 | L | 68.4 | Low | 74 | Confident | 98 Ų | 98 | 69.8 Ų | 69.8 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -91.7 | 145 | 173.8 | -62.1 | 178.8 | 0 | 0 | 0 | 111.3 | E551 | E551-L554 HydrophobicContact CB-CD1 4.22Å; E551-L554 HydrophobicContact CG-CD1 4.14Å; E551-L554 WeakPolarHBondContact O-CB 3.48Å; E551-L554 PolarHBondContact O-N 2.76Å |
| 555 | I | 75.1 | Confident | 74.4 | Confident | 31 Ų | 31 | 62.2 Ų | 62.2 | 16% | 0.159 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -71 | 136.9 | 165.8 | -63.5 | 171.4 | 0 | 0 | 0 | 108 | L308 Q311 L559 L560 L563 H575 | L308-I555 HydrophobicContact CD2-CD1 3.44Å; L308-I555 VanDerWaalsContact CD2-CD1 3.44Å; Q311-I555 VanDerWaalsContact OE1-N 3.09Å; I555-L559 HydrophobicContact CG2-CB 4.18Å; I555-L559 HydrophobicContact CG2-CD2 4Å; I555-L559 HydrophobicContact CG2-CG 3.91Å; I555-L560 HydrophobicContact CG2-CB 4.09Å; I555-L563 HydrophobicContact CG2-CD1 4.35Å; I555-H575 HydrophobicContact CD1-CB 4.17Å |
| 556 | E | 78.7 | Confident | 74.7 | Confident | 91 Ų | 91 | 58.2 Ų | 58.2 | 43% | 0.425 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 131.5 | 177.6 | -171.9 | -73 | 125 | 0 | 0 | 110.3 | T558 L559 L560 | E556-T558 PolarHBondContact O-N 3.06Å; E556-T558 PolarHBondContact OE1-N 2.98Å; E556-T558 PolarHBondContact OE1-OG1 2.97Å; E556-T558 WeakPolarHBondContact OE2-CA 3.27Å; E556-T558 WeakPolarHBondContact OE2-CB 3.46Å; E556-T558 PolarHBondContact OE2-N 2.83Å; E556-T558 PolarHBondContact OE2-OG1 3.44Å; E556-L559 HydrophobicContact CB-CB 4.34Å; E556-L559 PolarHBondContact O-N 3.07Å; E556-L559 VanDerWaalsContact O-N 3.14Å; E556-L559 PolarHBondContact OE2-N 2.8Å; E556-L560 PolarHBondContact O-N 3.07Å |
| 557 | P | 79.6 | Confident | 75.1 | Confident | 86 Ų | 86 | 52.3 Ų | 52.3 | 56% | 0.558 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -53.5 | -40.5 | -171.1 | -31.5 | 36.6 | 0 | 0 | 0 | 116.1 | L560 E561 | P557-L560 PolarHBondContact O-N 2.91Å; P557-E561 WeakPolarHBondContact O-CG 3.44Å; P557-E561 PolarHBondContact O-N 3.3Å |
| 558 | T | 83.3 | Confident | 75.5 | Confident | 74 Ų | 74 | 49.5 Ų | 49.5 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.4 | -36.3 | 179.9 | 76.3 | 0 | 0 | 0 | 0 | 112.4 | E556 L560 E561 E562 | E556-T558 PolarHBondContact O-N 3.06Å; E556-T558 PolarHBondContact OE1-N 2.98Å; E556-T558 PolarHBondContact OE1-OG1 2.97Å; E556-T558 WeakPolarHBondContact OE2-CA 3.27Å; E556-T558 WeakPolarHBondContact OE2-CB 3.46Å; E556-T558 PolarHBondContact OE2-N 2.83Å; E556-T558 PolarHBondContact OE2-OG1 3.44Å; T558-L560 VanDerWaalsContact C-N 3.35Å; T558-E561 PolarHBondContact O-N 3.34Å; T558-E562 PolarHBondContact O-N 2.93Å |
| 559 | L | 84.4 | Confident | 76.1 | Confident | 44 Ų | 44 | 50.3 Ų | 50.3 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 170.3 | 176.4 | 59.3 | 0 | 0 | 0 | 111.6 | I555 E556 E562 L563 P577 | I555-L559 HydrophobicContact CG2-CB 4.18Å; I555-L559 HydrophobicContact CG2-CD2 4Å; I555-L559 HydrophobicContact CG2-CG 3.91Å; E556-L559 HydrophobicContact CB-CB 4.34Å; E556-L559 PolarHBondContact O-N 3.07Å; E556-L559 VanDerWaalsContact O-N 3.14Å; E556-L559 PolarHBondContact OE2-N 2.8Å; L559-E562 PolarHBondContact O-N 3.45Å; L559-L563 HydrophobicContact CD1-CD1 4.01Å; L559-L563 HydrophobicContact CD1-CG 3.96Å; L559-L563 HydrophobicContact CG-CD1 3.94Å; L559-L563 HydrophobicContact CG-CG 4.33Å; L559-L563 WeakPolarHBondContact O-CB 3.36Å; L559-L563 VanDerWaalsContact O-CG 3.24Å; L559-L563 WeakPolarHBondContact O-CG 3.31Å; L559-L563 PolarHBondContact O-N 3.43Å; L559-P577 HydrophobicContact CD1-CB 3.92Å; L559-P577 HydrophobicContact CD1-CG 4.12Å |
| 560 | L | 83.9 | Confident | 77.2 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 174.1 | 179.4 | 62.2 | 0 | 0 | 0 | 111.4 | L308 Q311 R312 I555 E556 P557 T558 L563 I564 | L308-L560 HydrophobicContact CB-CD1 4.21Å; L308-L560 HydrophobicContact CD2-CD1 3.86Å; Q311-L560 HydrophobicContact CB-CD1 4.23Å; Q311-L560 HydrophobicContact CB-CD2 3.89Å; R312-L560 HydrophobicContact CB-CD2 4.41Å; I555-L560 HydrophobicContact CG2-CB 4.09Å; E556-L560 PolarHBondContact O-N 3.07Å; P557-L560 PolarHBondContact O-N 2.91Å; T558-L560 VanDerWaalsContact C-N 3.35Å; L560-L563 PolarHBondContact O-N 2.94Å; L560-I564 HydrophobicContact CG-CD1 4.26Å; L560-I564 WeakPolarHBondContact O-CD1 3.43Å; L560-I564 VanDerWaalsContact O-CG1 3.25Å; L560-I564 WeakPolarHBondContact O-CG1 3.27Å; L560-I564 PolarHBondContact O-N 3.08Å |
| 561 | E | 82.6 | Confident | 78.4 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 175.9 | -71.2 | -174.8 | 170.4 | 0 | 0 | 112.8 | R312 P557 T558 I564 L593 | R312-E561 IonicContact CZ-OE1 2.64Å; R312-E561 IonicContact NH1-OE1 2.73Å; R312-E561 PolarHBondContact NH1-OE1 3.41Å; R312-E561 IonicContact NH2-OE1 3.75Å; R312-E561 PolarHBondContact NH2-OE1 3.32Å; P557-E561 WeakPolarHBondContact O-CG 3.44Å; P557-E561 PolarHBondContact O-N 3.3Å; T558-E561 PolarHBondContact O-N 3.34Å; E561-I564 PolarHBondContact O-N 2.8Å; E561-L593 HydrophobicContact CB-CD1 3.93Å; E561-L593 HydrophobicContact CG-CD1 3.98Å |
| 562 | E | 82.6 | Confident | 79.9 | Confident | 17 Ų | 17 | 45 Ų | 45 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 172.8 | -173.4 | 174.2 | 121.7 | 0 | 0 | 111.6 | T558 L559 I564 C565 H566 P577 H590 | T558-E562 PolarHBondContact O-N 2.93Å; L559-E562 PolarHBondContact O-N 3.45Å; E562-I564 PolarHBondContact O-N 3.16Å; E562-C565 WeakPolarHBondContact O-CB 3.49Å; E562-C565 PolarHBondContact O-N 3.06Å; E562-C565 VanDerWaalsContact O-N 3.09Å; E562-H566 PolarHBondContact O-CD2 3.17Å; E562-H566 PolarHBondContact O-N 2.88Å; E562-P577 WeakPolarHBondContact OE1-CB 3.37Å; E562-H590 IonicContact OE2-CE1 2.77Å; E562-H590 IonicContact OE2-CG 3.25Å; E562-H590 IonicContact OE2-ND1 3.48Å; E562-H590 PolarHBondContact OE2-ND1 3.32Å |
| 563 | L | 84.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -25.8 | 179.7 | -72.7 | 174.8 | 0 | 0 | 0 | 113.3 | L308 I555 L559 L560 H566 I567 A571 | L308-L563 HydrophobicContact CD1-CB 4.19Å; L308-L563 HydrophobicContact CD2-CB 4.42Å; L308-L563 HydrophobicContact CD2-CD1 4.16Å; I555-L563 HydrophobicContact CG2-CD1 4.35Å; L559-L563 HydrophobicContact CD1-CD1 4.01Å; L559-L563 HydrophobicContact CD1-CG 3.96Å; L559-L563 HydrophobicContact CG-CD1 3.94Å; L559-L563 HydrophobicContact CG-CG 4.33Å; L559-L563 WeakPolarHBondContact O-CB 3.36Å; L559-L563 VanDerWaalsContact O-CG 3.24Å; L559-L563 WeakPolarHBondContact O-CG 3.31Å; L559-L563 PolarHBondContact O-N 3.43Å; L560-L563 PolarHBondContact O-N 2.94Å; L563-H566 CarbonylContact O-C 3.45Å; L563-H566 WeakPolarHBondContact O-CA 3.44Å; L563-H566 PolarHBondContact O-N 2.99Å; L563-H566 VanDerWaalsContact O-N 3.12Å; L563-I567 PolarHBondContact O-N 3.32Å; L563-A571 HydrophobicContact CD2-CB 4.23Å; L563-A571 WeakPolarHBondContact CD2-O 3.24Å |
| 564 | I | 83.1 | Confident | 82.6 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -42.9 | 172.1 | -73.6 | 160.2 | 0 | 0 | 0 | 111.3 | M264 R312 L560 E561 E562 H566 I567 L593 | M264-I564 HydrophobicContact CB-CG2 4.17Å; R312-I564 HydrophobicContact CB-CD1 3.81Å; R312-I564 HydrophobicContact CG-CD1 3.6Å; L560-I564 HydrophobicContact CG-CD1 4.26Å; L560-I564 WeakPolarHBondContact O-CD1 3.43Å; L560-I564 VanDerWaalsContact O-CG1 3.25Å; L560-I564 WeakPolarHBondContact O-CG1 3.27Å; L560-I564 PolarHBondContact O-N 3.08Å; E561-I564 PolarHBondContact O-N 2.8Å; E562-I564 PolarHBondContact O-N 3.16Å; I564-H566 PolarHBondContact O-N 2.97Å; I564-I567 HydrophobicContact CB-CD1 4.37Å; I564-I567 HydrophobicContact CG1-CD1 4.42Å; I564-I567 HydrophobicContact CG2-CD1 4.18Å; I564-I567 WeakPolarHBondContact O-CG1 3.35Å; I564-I567 PolarHBondContact O-N 2.87Å; I564-L593 HydrophobicContact CB-CD1 4.28Å; I564-L593 HydrophobicContact CD1-CD1 4.19Å; I564-L593 HydrophobicContact CG2-CD1 4.13Å; I564-L593 HydrophobicContact CG2-CD2 4.29Å |
| 565 | C | 81.6 | Confident | 83.5 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 12% | 0.115 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.1 | -20.3 | 172.9 | -73.1 | 0 | 0 | 0 | 0 | 112.7 | K261 E562 K591 | K261-C565 WeakPolarHBondContact CD-O 3.41Å; E562-C565 WeakPolarHBondContact O-CB 3.49Å; E562-C565 PolarHBondContact O-N 3.06Å; E562-C565 VanDerWaalsContact O-N 3.09Å; C565-K591 HydrophobicContact CB-CB 4.03Å; C565-K591 PolarHBondContact SG-O 3.04Å; C565-K591 VanDerWaalsContact SG-O 3.41Å |
| 566 | H | 83.9 | Confident | 83.9 | Confident | 30 Ų | 30 | 44.9 Ų | 44.9 | 14% | 0.139 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 8.2 | 178.5 | -76.3 | -76 | 0 | 0 | 0 | 115.3 | E562 L563 I564 G568 T569 A571 S572 | E562-H566 PolarHBondContact O-CD2 3.17Å; E562-H566 PolarHBondContact O-N 2.88Å; L563-H566 CarbonylContact O-C 3.45Å; L563-H566 WeakPolarHBondContact O-CA 3.44Å; L563-H566 PolarHBondContact O-N 2.99Å; L563-H566 VanDerWaalsContact O-N 3.12Å; I564-H566 PolarHBondContact O-N 2.97Å; H566-G568 PolarHBondContact O-N 3.22Å; H566-T569 WeakPolarHBondContact O-CB 3.44Å; H566-T569 WeakPolarHBondContact O-CG2 3.3Å; H566-T569 PolarHBondContact O-N 3.37Å; H566-T569 PolarHBondContact O-OG1 3.16Å; H566-A571 HydrophobicContact CB-CB 4.16Å; H566-S572 VanDerWaalsContact O-CB 3.3Å; H566-S572 WeakPolarHBondContact O-CB 3.41Å; H566-S572 PolarHBondContact O-OG 3.35Å; H566-S572 VanDerWaalsContact O-OG 3.11Å |
| 567 | I | 85.8 | Confident | 84 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 134.7 | 178.5 | -77.3 | 167.4 | 0 | 0 | 0 | 112.3 | K261 M264 I309 L563 I564 T569 S572 | K261-I567 HydrophobicContact CB-CB 4.04Å; K261-I567 HydrophobicContact CB-CG2 4.18Å; K261-I567 WeakPolarHBondContact CE-O 3.39Å; K261-I567 HydrophobicContact CG-CB 4.39Å; K261-I567 PolarHBondContact NZ-O 2.9Å; M264-I567 HydrophobicContact CG-CD1 4.49Å; I309-I567 HydrophobicContact CG1-CD1 4.16Å; L563-I567 PolarHBondContact O-N 3.32Å; I564-I567 HydrophobicContact CB-CD1 4.37Å; I564-I567 HydrophobicContact CG1-CD1 4.42Å; I564-I567 HydrophobicContact CG2-CD1 4.18Å; I564-I567 WeakPolarHBondContact O-CG1 3.35Å; I564-I567 PolarHBondContact O-N 2.87Å; I567-T569 VanDerWaalsContact C-N 3.25Å; I567-T569 PolarHBondContact O-N 2.91Å; I567-S572 WeakPolarHBondContact CA-OG 3.41Å |
| 568 | G | 82.8 | Confident | 83.9 | Confident | 36 Ų | 36 | 38.6 Ų | 38.6 | 37% | 0.371 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 3.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | N305 H566 S572 | N305-G568 PolarHBondContact OD1-N 3.33Å; H566-G568 PolarHBondContact O-N 3.22Å; G568-S572 PolarHBondContact N-OG 3.35Å; G568-S572 VanDerWaalsContact N-OG 3.09Å |
| 569 | T | 86.1 | Confident | 83.6 | Confident | 47 Ų | 47 | 38.6 Ų | 38.6 | 29% | 0.288 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -103.6 | 171.7 | 170.6 | 76.4 | 0 | 0 | 0 | 0 | 111 | H566 I567 A571 S572 V573 | H566-T569 WeakPolarHBondContact O-CB 3.44Å; H566-T569 WeakPolarHBondContact O-CG2 3.3Å; H566-T569 PolarHBondContact O-N 3.37Å; H566-T569 PolarHBondContact O-OG1 3.16Å; I567-T569 VanDerWaalsContact C-N 3.25Å; I567-T569 PolarHBondContact O-N 2.91Å; T569-A571 VanDerWaalsContact C-N 3.28Å; T569-A571 PolarHBondContact O-N 2.93Å; T569-S572 PolarHBondContact O-N 2.87Å; T569-S572 PolarHBondContact O-OG 3.16Å; T569-S572 VanDerWaalsContact O-OG 3.11Å; T569-V573 PolarHBondContact O-N 3.49Å |
| 570 | L | 86.8 | Confident | 83.4 | Confident | 114 Ų | 114 | 39.4 Ų | 39.4 | 60% | 0.597 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -58.7 | -37 | -179.1 | -65 | 177.2 | 0 | 0 | 0 | 113 | S572 V573 Y574 | L570-S572 PolarHBondContact O-N 3.11Å; L570-V573 PolarHBondContact O-N 3.23Å; L570-V573 VanDerWaalsContact O-N 3.12Å; L570-Y574 HydrophobicContact CB-CD2 4.21Å; L570-Y574 HydrophobicContact CB-CE2 4.18Å; L570-Y574 HydrophobicContact CD2-CE2 4.41Å; L570-Y574 WeakPolarHBondContact O-CD2 3.43Å; L570-Y574 PolarHBondContact O-N 3.42Å |
| 571 | A | 85.4 | Confident | 83.3 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | L563 H566 T569 V573 Y574 H575 K576 P578 F581 | L563-A571 HydrophobicContact CD2-CB 4.23Å; L563-A571 WeakPolarHBondContact CD2-O 3.24Å; H566-A571 HydrophobicContact CB-CB 4.16Å; T569-A571 VanDerWaalsContact C-N 3.28Å; T569-A571 PolarHBondContact O-N 2.93Å; A571-V573 VanDerWaalsContact C-N 3.29Å; A571-V573 PolarHBondContact O-N 3.49Å; A571-Y574 PolarHBondContact O-N 2.71Å; A571-H575 PolarHBondContact O-N 2.94Å; A571-K576 WeakPolarHBondContact CB-O 3.47Å; A571-K576 PolarHBondContact O-N 3.46Å; A571-P578 HydrophobicContact CB-CG 4.08Å; A571-F581 HydrophobicContact CB-CE1 4.11Å; A571-F581 HydrophobicContact CB-CZ 4.15Å |
| 572 | S | 85.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.6 | -15.1 | 178.3 | 77 | 0 | 0 | 0 | 0 | 113.9 | N305 L308 H566 I567 G568 T569 L570 H575 | N305-S572 WeakPolarHBondContact OD1-CB 3.19Å; N305-S572 PolarHBondContact OD1-OG 2.84Å; L308-S572 WeakPolarHBondContact CD1-O 3.35Å; H566-S572 VanDerWaalsContact O-CB 3.3Å; H566-S572 WeakPolarHBondContact O-CB 3.41Å; H566-S572 PolarHBondContact O-OG 3.35Å; H566-S572 VanDerWaalsContact O-OG 3.11Å; I567-S572 WeakPolarHBondContact CA-OG 3.41Å; G568-S572 PolarHBondContact N-OG 3.35Å; G568-S572 VanDerWaalsContact N-OG 3.09Å; T569-S572 PolarHBondContact O-N 2.87Å; T569-S572 PolarHBondContact O-OG 3.16Å; T569-S572 VanDerWaalsContact O-OG 3.11Å; L570-S572 PolarHBondContact O-N 3.11Å; S572-H575 PolarHBondContact O-CD2 3.11Å |
| 573 | V | 85.8 | Confident | 81.2 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 12% | 0.121 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -83.9 | -42.6 | 169.8 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | Y300 V301 R304 T569 L570 A571 H575 | Y300-V573 HydrophobicContact CE1-CG1 4.35Å; V301-V573 HydrophobicContact CG1-CG2 4.02Å; V301-V573 HydrophobicContact CG2-CG2 4.38Å; R304-V573 HydrophobicContact CB-CG1 4.39Å; R304-V573 HydrophobicContact CG-CG1 4.29Å; R304-V573 VanDerWaalsContact CZ-O 3.32Å; R304-V573 PolarHBondContact NE-O 3.49Å; R304-V573 PolarHBondContact NH2-O 3.16Å; T569-V573 PolarHBondContact O-N 3.49Å; L570-V573 PolarHBondContact O-N 3.23Å; L570-V573 VanDerWaalsContact O-N 3.12Å; A571-V573 VanDerWaalsContact C-N 3.29Å; A571-V573 PolarHBondContact O-N 3.49Å; V573-H575 VanDerWaalsContact C-N 3.32Å; V573-H575 PolarHBondContact O-N 3.35Å |
| 574 | Y | 85.1 | Confident | 79.5 | Confident | 144 Ų | 144 | 56.8 Ų | 56.8 | 57% | 0.565 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -76.6 | -13.8 | 178.4 | -70.9 | -62.1 | 0 | 0 | 0 | 114.4 | L570 A571 K576 | L570-Y574 HydrophobicContact CB-CD2 4.21Å; L570-Y574 HydrophobicContact CB-CE2 4.18Å; L570-Y574 HydrophobicContact CD2-CE2 4.41Å; L570-Y574 WeakPolarHBondContact O-CD2 3.43Å; L570-Y574 PolarHBondContact O-N 3.42Å; A571-Y574 PolarHBondContact O-N 2.71Å; Y574-K576 PolarHBondContact O-N 3.26Å |
| 575 | H | 86.6 | Confident | 77.5 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 37.9 | -170.1 | -59.1 | 165.8 | 0 | 0 | 0 | 112.3 | R304 I555 A571 S572 V573 | R304-H575 VanDerWaalsContact CZ-ND1 3.31Å; R304-H575 PolarHBondContact NH1-CE1 2.87Å; R304-H575 PolarHBondContact NH1-ND1 2.9Å; R304-H575 PolarHBondContact NH2-CE1 2.91Å; R304-H575 PolarHBondContact NH2-ND1 3.27Å; R304-H575 PolarHBondContact O-NE2 3.05Å; I555-H575 HydrophobicContact CD1-CB 4.17Å; A571-H575 PolarHBondContact O-N 2.94Å; S572-H575 PolarHBondContact O-CD2 3.11Å; V573-H575 VanDerWaalsContact C-N 3.32Å; V573-H575 PolarHBondContact O-N 3.35Å |
| 576 | K | 84.8 | Confident | 75.2 | Confident | 121 Ų | 121 | 71.4 Ų | 71.4 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -131.3 | 142.2 | 178 | -70 | -172 | 177.6 | -170.6 | 0 | 109.5 | A571 Y574 A580 | A571-K576 WeakPolarHBondContact CB-O 3.47Å; A571-K576 PolarHBondContact O-N 3.46Å; Y574-K576 PolarHBondContact O-N 3.26Å; K576-A580 HydrophobicContact CB-CB 4.35Å |
| 577 | P | 80.8 | Confident | 73.2 | Confident | 29 Ų | 29 | 71.8 Ų | 71.8 | 19% | 0.188 | 40% | 0.399 | C | S | . | . | trans | -64.6 | 152.7 | 177.2 | 29.4 | -34.2 | 0 | 0 | 0 | 110.2 | L559 E562 S579 A580 | L559-P577 HydrophobicContact CD1-CB 3.92Å; L559-P577 HydrophobicContact CD1-CG 4.12Å; E562-P577 WeakPolarHBondContact OE1-CB 3.37Å; P577-S579 PolarHBondContact O-N 3.04Å; P577-S579 VanDerWaalsContact O-N 3.11Å; P577-A580 HydrophobicContact CG-CB 4.01Å; P577-A580 WeakPolarHBondContact O-CB 3.48Å; P577-A580 PolarHBondContact O-N 3.06Å | ||
| 578 | P | 75.7 | Confident | 71 | Confident | 17 Ų | 17 | 74.6 Ų | 74.6 | 11% | 0.11 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -55.7 | -31.4 | -178.1 | -24.9 | 33.5 | 0 | 0 | 0 | 114.2 | A571 A580 F581 V582 V588 | A571-P578 HydrophobicContact CB-CG 4.08Å; P578-A580 VanDerWaalsContact C-N 3.26Å; P578-A580 PolarHBondContact O-N 3.36Å; P578-F581 HydrophobicContact CB-CZ 4.46Å; P578-F581 PolarHBondContact O-N 3.47Å; P578-V582 PolarHBondContact O-N 2.88Å; P578-V588 HydrophobicContact CB-CG1 4.28Å |
| 579 | S | 77 | Confident | 69.2 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 52% | 0.517 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -63.1 | -25.4 | 176.5 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | P577 F581 | P577-S579 PolarHBondContact O-N 3.04Å; P577-S579 VanDerWaalsContact O-N 3.11Å; S579-F581 VanDerWaalsContact C-N 3.28Å; S579-F581 PolarHBondContact O-N 2.98Å |
| 580 | A | 81.4 | Confident | 67.2 | Low | 61 Ų | 61 | 82.5 Ų | 82.5 | 50% | 0.504 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -81.8 | -0.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K576 P577 P578 | K576-A580 HydrophobicContact CB-CB 4.35Å; P577-A580 HydrophobicContact CG-CB 4.01Å; P577-A580 WeakPolarHBondContact O-CB 3.48Å; P577-A580 PolarHBondContact O-N 3.06Å; P578-A580 VanDerWaalsContact C-N 3.26Å; P578-A580 PolarHBondContact O-N 3.36Å |
| 581 | F | 82.2 | Confident | 65.4 | Low | 95 Ų | 95 | 79.6 Ų | 79.6 | 42% | 0.417 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -139.8 | 10.6 | 176.5 | 61 | -96.4 | 0 | 0 | 0 | 114.2 | A571 P578 S579 | A571-F581 HydrophobicContact CB-CE1 4.11Å; A571-F581 HydrophobicContact CB-CZ 4.15Å; P578-F581 HydrophobicContact CB-CZ 4.46Å; P578-F581 PolarHBondContact O-N 3.47Å; S579-F581 VanDerWaalsContact C-N 3.28Å; S579-F581 PolarHBondContact O-N 2.98Å |
| 582 | V | 73.3 | Confident | 63.4 | Low | 72 Ų | 72 | 87.7 Ų | 87.7 | 44% | 0.436 | 45% | 0.452 | S | S | . | . | trans | -132.4 | 88.6 | 175.4 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | P578 G584 | P578-V582 PolarHBondContact O-N 2.88Å; V582-G584 PolarHBondContact O-N 2.97Å | ||
| 583 | E | 46.7 | Very low | 61.6 | Low | 202 Ų | 202 | 88.4 Ų | 88.4 | 94% | 0.944 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 134.8 | 172.3 | -65.1 | -172.3 | 147 | 0 | 0 | 110.9 | ||
| 584 | G | 48.7 | Very low | 59.6 | Low | 77 Ų | 77 | 89.3 Ų | 89.3 | 79% | 0.794 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.1 | -18.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | V582 R586 | V582-G584 PolarHBondContact O-N 2.97Å; G584-R586 PolarHBondContact O-N 3.16Å |
| 585 | S | 41.3 | Very low | 56.9 | Low | 65 Ų | 65 | 86 Ų | 86 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | trans | -79.5 | 79.5 | -179.5 | -166.5 | 0 | 0 | 0 | 0 | 113.1 | G587 V588 | S585-G587 PolarHBondContact O-N 3.46Å; S585-V588 WeakPolarHBondContact OG-CG2 3.48Å | ||
| 586 | R | 34.7 | Very low | 54.2 | Low | 261 Ų | 261 | 89.3 Ų | 89.3 | 99% | 0.985 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 33.6 | 170.3 | -70.4 | -171.8 | 170.9 | -165.7 | -2 | 113.4 | G584 | G584-R586 PolarHBondContact O-N 3.16Š|
| 587 | G | 40.7 | Very low | 51.7 | Low | 38 Ų | 38 | 88.8 Ų | 88.8 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.9 | 3.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S585 Q589 | S585-G587 PolarHBondContact O-N 3.46Å; G587-Q589 PolarHBondContact O-N 2.99Å |
| 588 | V | 39.9 | Very low | 49 | Very low | 58 Ų | 58 | 90.7 Ų | 90.7 | 35% | 0.352 | 54% | 0.542 | S | S | . | . | trans | -65.9 | 105.4 | 173.1 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | P578 S585 H590 | P578-V588 HydrophobicContact CB-CG1 4.28Å; S585-V588 WeakPolarHBondContact OG-CG2 3.48Å; V588-H590 PolarHBondContact O-N 3.45Å | ||
| 589 | Q | 44.1 | Very low | 46.7 | Very low | 118 Ų | 118 | 95.7 Ų | 95.7 | 55% | 0.551 | 58% | 0.577 | S | S | * | * | trans | -64.1 | 127.6 | 172.5 | -67.4 | -178.5 | -9 | 0 | 0 | 109.6 | P192 G587 K591 | P192-Q589 HydrophobicContact CB-CG 4.35Å; P192-Q589 PolarHBondContact O-NE2 3.04Å; G587-Q589 PolarHBondContact O-N 2.99Å; Q589-K591 PolarHBondContact O-N 3.29Å | ||
| 590 | H | 44.1 | Very low | 44.3 | Very low | 131 Ų | 131 | 96.2 Ų | 96.2 | 61% | 0.606 | 59% | 0.594 | S | S | * | * | trans | -63.7 | 95 | 169.3 | -72.5 | -73.3 | 0 | 0 | 0 | 109.7 | E562 V588 R592 | E562-H590 IonicContact OE2-CE1 2.77Å; E562-H590 IonicContact OE2-CG 3.25Å; E562-H590 IonicContact OE2-ND1 3.48Å; E562-H590 PolarHBondContact OE2-ND1 3.32Å; V588-H590 PolarHBondContact O-N 3.45Å; H590-R592 VanDerWaalsContact C-N 3.27Å; H590-R592 PolarHBondContact O-N 3.07Å | ||
| 591 | K | 49.3 | Very low | 41.7 | Very low | 53 Ų | 53 | 102.4 Ų | 102.4 | 23% | 0.23 | 61% | 0.613 | C | S | . | * | trans | -71.9 | 81.9 | 177.3 | -66.1 | -174.3 | -174.4 | -178 | 0 | 109.4 | E189 N228 C565 Q589 | E189-K591 IonicContact OE1-NZ 3.66Å; E189-K591 PolarHBondContact OE1-NZ 3.31Å; N228-K591 PolarHBondContact OD1-NZ 2.99Å; C565-K591 HydrophobicContact CB-CB 4.03Å; C565-K591 PolarHBondContact SG-O 3.04Å; C565-K591 VanDerWaalsContact SG-O 3.41Å; Q589-K591 PolarHBondContact O-N 3.29Å | ||
| 592 | R | 44.4 | Very low | 38.9 | Very low | 173 Ų | 173 | 103.7 Ų | 103.7 | 65% | 0.653 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 151.6 | 173.8 | -67.6 | -172.1 | 176.6 | -166 | -3.1 | 111.5 | H590 | H590-R592 VanDerWaalsContact C-N 3.27Å; H590-R592 PolarHBondContact O-N 3.07Å |
| 593 | L | 48.2 | Very low | 36.7 | Very low | 15 Ų | 15 | 106.5 Ų | 106.5 | 8% | 0.079 | 65% | 0.651 | C | S | . | * | P | Polyproline II helix | trans | -71.5 | 142.7 | 172.4 | -67.5 | 164 | 0 | 0 | 0 | 109.8 | K265 E268 E561 I564 G595 | K265-L593 HydrophobicContact CB-CD2 4.22Å; K265-L593 HydrophobicContact CG-CD2 3.93Å; E268-L593 HydrophobicContact CG-CD1 4.41Å; E268-L593 HydrophobicContact CG-CD2 4.39Å; E268-L593 WeakPolarHBondContact OE2-CD1 3.27Å; E561-L593 HydrophobicContact CB-CD1 3.93Å; E561-L593 HydrophobicContact CG-CD1 3.98Å; I564-L593 HydrophobicContact CB-CD1 4.28Å; I564-L593 HydrophobicContact CD1-CD1 4.19Å; I564-L593 HydrophobicContact CG2-CD1 4.13Å; I564-L593 HydrophobicContact CG2-CD2 4.29Å; L593-G595 PolarHBondContact O-N 3.36Å |
| 594 | P | 41.8 | Very low | 35.6 | Very low | 38 Ų | 38 | 105.7 Ų | 105.7 | 25% | 0.247 | 65% | 0.647 | C | S | . | * | P | Polyproline II helix | trans | -67.2 | 119.3 | 179 | 26.8 | -32.8 | 0 | 0 | 0 | 110.1 | M269 | M269-P594 HydrophobicContact CG-CB 4.48Å; M269-P594 HydrophobicContact CG-CG 3.66Å; M269-P594 HydrophobicContact SD-CB 4.37Å; M269-P594 HydrophobicContact SD-CG 3.62Å |
| 595 | G | 30 | Very low | 34.4 | Very low | 74 Ų | 74 | 107.4 Ų | 107.4 | 76% | 0.763 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -61 | 136.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L593 A597 | L593-G595 PolarHBondContact O-N 3.36Å; G595-A597 PolarHBondContact O-N 3.26Å |
| 596 | S | 28.6 | Very low | 33.8 | Very low | 103 Ų | 103 | 110.3 Ų | 110.3 | 72% | 0.72 | 66% | 0.664 | S | S | * | * | trans | -68.9 | 115.3 | -177.3 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | G598 | S596-G598 PolarHBondContact O-N 3.04Š| ||
| 597 | A | 32.8 | Very low | 33.2 | Very low | 110 Ų | 110 | 105.8 Ų | 105.8 | 91% | 0.909 | 66% | 0.66 | S | S | * | * | trans | -83.1 | 86.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G595 | G595-A597 PolarHBondContact O-N 3.26Š| ||
| 598 | G | 24.9 | Very low | 32.4 | Very low | 69 Ų | 69 | 110.7 Ų | 110.7 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | trans | -173.1 | 40.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | S596 | S596-G598 PolarHBondContact O-N 3.04Š| ||
| 599 | S | 25.9 | Very low | 31.6 | Very low | 123 Ų | 123 | 111.4 Ų | 111.4 | 86% | 0.86 | 70% | 0.701 | S | S | * | * | trans | -155.5 | 100.1 | 158.7 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 600 | G | 27.8 | Very low | 30.5 | Very low | 85 Ų | 85 | 111.8 Ų | 111.8 | 88% | 0.876 | 72% | 0.717 | S | S | * | * | trans | -93.5 | 104.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 601 | E | 25.8 | Very low | 29.5 | Very low | 190 Ų | 190 | 110.2 Ų | 110.2 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -115.1 | 110.9 | 156 | -73.7 | -162.3 | 125.4 | 0 | 0 | 108.9 | V603 | E601-V603 PolarHBondContact O-N 3.15Š| ||
| 602 | S | 24.8 | Very low | 28.3 | Very low | 122 Ų | 122 | 112.5 Ų | 112.5 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -80.6 | 107.7 | 177.5 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 603 | V | 26.6 | Very low | 27.5 | Very low | 132 Ų | 132 | 108.1 Ų | 108.1 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -106.1 | 118.9 | 163.4 | -179 | 0 | 0 | 0 | 0 | 107.8 | E601 | E601-V603 PolarHBondContact O-N 3.15Š| ||
| 604 | E | 23.6 | Very low | 26.3 | Very low | 185 Ų | 185 | 114 Ų | 114 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -67.6 | 147 | -178.9 | -63.9 | 176.8 | 116.6 | 0 | 0 | 111.7 | ||||
| 605 | S | 23.1 | Very low | 25.5 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | trans | -147.4 | 127.9 | 161.7 | -73.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 606 | P | 28 | Very low | 25.2 | Very low | 126 Ų | 126 | 121.9 Ų | 121.9 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -82.2 | 151 | -159.5 | 31.4 | -36.8 | 0 | 0 | 0 | 114.3 | T608 | P606-T608 PolarHBondContact O-N 3.27Š| ||
| 607 | D | 22.5 | Very low | 24.9 | Very low | 167 Ų | 167 | 120.4 Ų | 120.4 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | trans | -59.6 | 127.3 | 172.1 | -82.7 | -53.5 | 0 | 0 | 0 | 113.3 | ||||
| 608 | T | 25 | Very low | 24.6 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -140.7 | 125.6 | 143.4 | 51.9 | 0 | 0 | 0 | 0 | 108.5 | P606 | P606-T608 PolarHBondContact O-N 3.27Š| ||
| 609 | G | 21.6 | Very low | 24.6 | Very low | 72 Ų | 72 | 123.1 Ų | 123.1 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | -106.6 | -170.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 610 | S | 22.1 | Very low | 24.6 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | 86.5 | 127.1 | 170.4 | -61.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 611 | A | 22.2 | Very low | 24.5 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | 95.9 | 125.8 | 140.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 612 | A | 23.7 | Very low | 24.5 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | 64.1 | 136 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 613 | G | 27.9 | Very low | 24.6 | Very low | 80 Ų | 80 | 121.8 Ų | 121.8 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -82 | 144.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 614 | V | 24 | Very low | 24.6 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -124.3 | 139.4 | 164.2 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | D616 | V614-D616 PolarHBondContact O-N 2.96Š| ||
| 615 | S | 24.4 | Very low | 25 | Very low | 115 Ų | 115 | 120 Ų | 120 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -73.3 | 116.2 | 174.6 | 52 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 616 | D | 24.1 | Very low | 25.3 | Very low | 163 Ų | 163 | 117.6 Ų | 117.6 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -84.8 | 148.4 | 171.8 | -157.9 | 6.8 | 0 | 0 | 0 | 111.1 | V614 | V614-D616 PolarHBondContact O-N 2.96Š| ||
| 617 | A | 23.1 | Very low | 25.6 | Very low | 71 Ų | 71 | 118.8 Ų | 118.8 | 59% | 0.587 | 79% | 0.79 | S | S | * | * | trans | -107.4 | 147.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 618 | P | 25.2 | Very low | 26.1 | Very low | 120 Ų | 120 | 116.6 Ų | 116.6 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -62.2 | 138.7 | 175.8 | 26.9 | -34.1 | 0 | 0 | 0 | 110.5 | ||||
| 619 | P | 26.2 | Very low | 26.4 | Very low | 117 Ų | 117 | 117 Ų | 117 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -64.4 | 137.4 | -177.6 | 26.2 | -34.5 | 0 | 0 | 0 | 111.3 | V621 | P619-V621 PolarHBondContact O-N 3.49Š| ||
| 620 | A | 24.6 | Very low | 26.9 | Very low | 104 Ų | 104 | 116.2 Ų | 116.2 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -71.7 | 101.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 621 | V | 25.9 | Very low | 27.4 | Very low | 129 Ų | 129 | 117 Ų | 117 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 127.9 | 165.9 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | P619 P623 | P619-V621 PolarHBondContact O-N 3.49Å; V621-P623 WeakPolarHBondContact O-CD 3.46Å |
| 622 | I | 26.7 | Very low | 27.7 | Very low | 158 Ų | 158 | 118.8 Ų | 118.8 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 119.8 | 178.9 | -58.4 | 172 | 0 | 0 | 0 | 109 | ||
| 623 | P | 25.5 | Very low | 28 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 145.2 | 178 | -17.5 | 32.6 | 0 | 0 | 0 | 112.5 | V621 | V621-P623 WeakPolarHBondContact O-CD 3.46Š|
| 624 | S | 27.1 | Very low | 28.2 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 141.1 | 167.8 | 45 | 0 | 0 | 0 | 0 | 111.3 | G626 | S624-G626 PolarHBondContact O-N 3.38Š|
| 625 | Q | 32.1 | Very low | 28.5 | Very low | 178 Ų | 178 | 125 Ų | 125 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 14.2 | -165.4 | -65.8 | 175.6 | -51.8 | 0 | 0 | 117.1 | ||
| 626 | G | 29.9 | Very low | 28.6 | Very low | 62 Ų | 62 | 127.3 Ų | 127.3 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -47.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S624 | S624-G626 PolarHBondContact O-N 3.38Š|
| 627 | D | 33.6 | Very low | 28.5 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -92.3 | -3.8 | -161.6 | -58 | -55.5 | 0 | 0 | 0 | 114.9 | L629 | D627-L629 VanDerWaalsContact C-N 3.28Å; D627-L629 PolarHBondContact O-N 2.92Å |
| 628 | L | 33.6 | Very low | 28.6 | Very low | 122 Ų | 122 | 130 Ų | 130 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -75.5 | -6.2 | -170.1 | -103 | 161.9 | 0 | 0 | 0 | 115.6 | ||
| 629 | L | 30 | Very low | 28.6 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -85.6 | -16.5 | -177.2 | -141.2 | 77.2 | 0 | 0 | 0 | 114 | D627 | D627-L629 VanDerWaalsContact C-N 3.28Å; D627-L629 PolarHBondContact O-N 2.92Å |
| 630 | G | 32.2 | Very low | 28.7 | Very low | 57 Ų | 57 | 131 Ų | 131 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -75.6 | -41 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L632 | G630-L632 PolarHBondContact O-N 3.28Š|
| 631 | D | 33 | Very low | 28.7 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -79.5 | -14.6 | -172.5 | -97.1 | -17.6 | 0 | 0 | 0 | 114.4 | L633 | D631-L633 VanDerWaalsContact C-N 3.3Å; D631-L633 PolarHBondContact O-N 3.35Å |
| 632 | L | 29.6 | Very low | 28.7 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -79.9 | -1.8 | -171.9 | -79.6 | 169 | 0 | 0 | 0 | 115.3 | G630 | G630-L632 PolarHBondContact O-N 3.28Š|
| 633 | L | 30 | Very low | 28.7 | Very low | 156 Ų | 156 | 129.1 Ų | 129.1 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -102 | 2.2 | -177.6 | -66.1 | 178 | 0 | 0 | 0 | 115 | D631 | D631-L633 VanDerWaalsContact C-N 3.3Å; D631-L633 PolarHBondContact O-N 3.35Å |
| 634 | N | 32.4 | Very low | 28.7 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -108.5 | 20.1 | -176.1 | -85.4 | -32.5 | 0 | 0 | 0 | 115.3 | ||||
| 635 | L | 29.9 | Very low | 28.7 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -97.1 | 101.5 | 169 | -98.2 | 74 | 0 | 0 | 0 | 111.3 | ||||
| 636 | D | 25 | Very low | 29.1 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -81.6 | 151.4 | 166.3 | -165.9 | 11.9 | 0 | 0 | 0 | 111.3 | ||||
| 637 | L | 23.9 | Very low | 29 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -108.4 | 114.9 | -158.8 | -72.7 | 163.3 | 0 | 0 | 0 | 113.2 | ||||
| 638 | T | 24.3 | Very low | 28.8 | Very low | 136 Ų | 136 | 128 Ų | 128 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -133.5 | 138.6 | 160.9 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 639 | P | 24.4 | Very low | 28.4 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -89.9 | 152.9 | -168 | 34.5 | -36.4 | 0 | 0 | 0 | 114.6 | ||||
| 640 | P | 29 | Very low | 28.1 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -93.7 | 157.6 | -174.7 | 36.8 | -36.6 | 0 | 0 | 0 | 115 | ||||
| 641 | A | 24.6 | Very low | 27.7 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -142.3 | 94.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 642 | T | 25.5 | Very low | 27.2 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | trans | 57.7 | 120.1 | 135.2 | 57.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 643 | T | 27 | Very low | 27 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | 72 | 126.3 | 134.2 | 58.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 644 | G | 25.2 | Very low | 26.6 | Very low | 76 Ų | 76 | 127.2 Ų | 127.2 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 162.1 | 111.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 645 | P | 27.6 | Very low | 26.3 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -91.5 | 168.6 | 179.6 | 35.8 | -34.8 | 0 | 0 | 0 | 114.7 | ||||
| 646 | P | 39.9 | Very low | 26 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -102.9 | 168 | -162.9 | 39.7 | -37.4 | 0 | 0 | 0 | 116.4 | ||||
| 647 | P | 28.5 | Very low | 25.9 | Very low | 121 Ų | 121 | 120 Ų | 120 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -112.8 | 163.5 | 160.6 | 38.6 | -29.5 | 0 | 0 | 0 | 114 | ||||
| 648 | P | 29.8 | Very low | 26 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -128.5 | 158.7 | -163.9 | 41.8 | -26.9 | 0 | 0 | 0 | 118.3 | ||||
| 649 | A | 25.3 | Very low | 26 | Very low | 87 Ų | 87 | 121.6 Ų | 121.6 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | 69.3 | 156.3 | 138.4 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 650 | T | 23.6 | Very low | 26.1 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 81.9 | 108.9 | 154 | 48.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 651 | S | 24.3 | Very low | 26 | Very low | 121 Ų | 121 | 123.3 Ų | 123.3 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 58.3 | 134.6 | 130.9 | 65.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 652 | G | 22.3 | Very low | 25.9 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -170.6 | 114.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 653 | M | 24.2 | Very low | 25.9 | Very low | 168 Ų | 168 | 121 Ų | 121 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -74.8 | 150.1 | -171.8 | -120.9 | 165.6 | 163 | 0 | 0 | 117 | ||||
| 654 | Q | 22.3 | Very low | 25.8 | Very low | 156 Ų | 156 | 117.5 Ų | 117.5 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | trans | 61.1 | 168 | 144.8 | -86.6 | 172.5 | -46.4 | 0 | 0 | 119 | ||||
| 655 | L | 24.8 | Very low | 25.7 | Very low | 148 Ų | 148 | 121.9 Ų | 121.9 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | cis | -151 | 155.7 | 10.9 | -159 | 128.9 | 0 | 0 | 0 | 112.1 | ||||
| 656 | G | 24.2 | Very low | 25.4 | Very low | 70 Ų | 70 | 121.8 Ų | 121.8 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 119 | 139.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 657 | A | 24.3 | Very low | 24.6 | Very low | 89 Ų | 89 | 120 Ų | 120 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | cis | 169.8 | 160.9 | -44.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 658 | M | 25 | Very low | 24.4 | Very low | 181 Ų | 181 | 120.9 Ų | 120.9 | 89% | 0.892 | 77% | 0.773 | S | S | * | * | trans | 73.7 | 99 | -175.3 | -50.6 | -177.4 | 75.7 | 0 | 0 | 112.9 | ||||
| 659 | D | 24.7 | Very low | 24.1 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | cis | 74.3 | 126.4 | 39.8 | -166.3 | 31.8 | 0 | 0 | 0 | 114.2 | ||||
| 660 | L | 25.8 | Very low | 24 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | 178.9 | 119.2 | 117.7 | -171.4 | 59.1 | 0 | 0 | 0 | 113 | |||||
| 661 | L | 26.6 | Very low | 24 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | 67.2 | 140.6 | 164.3 | -65.8 | 163.6 | 0 | 0 | 0 | 119.7 | ||||
| 662 | G | 23.6 | Very low | 23.9 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | 152.1 | 105.9 | -14.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 663 | G | 24.4 | Very low | 24 | Very low | 88 Ų | 88 | 128 Ų | 128 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | trans | 85.4 | 148.1 | 154 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 664 | G | 24.5 | Very low | 23.9 | Very low | 68 Ų | 68 | 128.5 Ų | 128.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | 134.3 | 150.6 | -14.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 665 | L | 23.2 | Very low | 24.8 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | trans | 69.5 | 144.2 | 155.6 | -59.4 | 175.5 | 0 | 0 | 0 | 116.6 | ||||
| 666 | D | 22.4 | Very low | 25.8 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | cis | -164.9 | 174.8 | -9.8 | -153.5 | -53.2 | 0 | 0 | 0 | 109.2 | ||||
| 667 | S | 23.8 | Very low | 26.3 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 59% | 0.587 | 77% | 0.774 | S | S | * | * | trans | 87.8 | 132.4 | 130.6 | -82.7 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 668 | L | 23.5 | Very low | 26.4 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | trans | 86.4 | 113.8 | 135.5 | -98.1 | 74.2 | 0 | 0 | 0 | 123.4 | ||||
| 669 | M | 23 | Very low | 27.2 | Very low | 176 Ų | 176 | 126.8 Ų | 126.8 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | 61 | 120.9 | 126.7 | -75.2 | 176.5 | 171.7 | 0 | 0 | 122.8 | |||||
| 670 | G | 23 | Very low | 27.3 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 87.6 | 160.2 | 138.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 671 | D | 23.5 | Very low | 27.2 | Very low | 149 Ų | 149 | 132.2 Ų | 132.2 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | cis | -164.3 | 157.2 | -18.4 | -148.8 | -7.7 | 0 | 0 | 0 | 110.9 | ||||
| 672 | E | 23.2 | Very low | 27.3 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 52.8 | 169.6 | 168.6 | -55.3 | -169.5 | 113.4 | 0 | 0 | 118.1 | ||||
| 673 | S | 24.3 | Very low | 27.4 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | cis | -148.9 | 159.2 | 6.5 | 64 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 674 | E | 22.6 | Very low | 27.3 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -103.1 | -170.3 | 179.1 | -119.1 | -162.5 | 157.7 | 0 | 0 | 112.5 | ||||
| 675 | P | 40.2 | Very low | 28 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | -117.1 | -107.8 | -57.7 | 23.2 | -0.2 | 0 | 0 | 0 | 116.8 | |||||
| 676 | P | 45.7 | Very low | 28.2 | Very low | 109 Ų | 109 | 138 Ų | 138 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -120.1 | -172.5 | -132.3 | 43.4 | -24.4 | 0 | 0 | 0 | 115.1 | ||||
| 677 | P | 35.4 | Very low | 28.3 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | -161.5 | -158.8 | 85.5 | 44.6 | -21.1 | 0 | 0 | 0 | 117.2 | |||||
| 678 | I | 26.2 | Very low | 29.1 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 82% | 0.821 | 78% | 0.776 | S | S | * | * | trans | -150.1 | 163.3 | -167.9 | -78.9 | 165.8 | 0 | 0 | 0 | 108.4 | ||||
| 679 | P | 40.8 | Very low | 29.2 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | cis | -127.2 | -163.8 | -3 | 43.4 | -27.5 | 0 | 0 | 0 | 114.5 | ||||
| 680 | L | 26.7 | Very low | 29.3 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -170 | 171.2 | 131.8 | -104.4 | 164.3 | 0 | 0 | 0 | 116.1 | ||||
| 681 | R | 25.3 | Very low | 30.1 | Very low | 222 Ų | 222 | 140 Ų | 140 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -124.7 | 164.3 | -174.1 | -67.8 | 175.9 | 169.7 | 175.3 | -4.7 | 113 | ||||
| 682 | T | 27.8 | Very low | 30.3 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -160.9 | 169.4 | 149.5 | 22.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 683 | D | 25 | Very low | 30.4 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | -128.6 | 138 | -155.3 | -62.2 | -92.9 | 0 | 0 | 0 | 117.4 | ||||
| 684 | T | 23.4 | Very low | 30.5 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | 59.4 | -172.6 | 145.4 | 70.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 685 | P | 39.4 | Very low | 31.1 | Very low | 95 Ų | 95 | 139 Ų | 139 | 62% | 0.617 | 78% | 0.775 | S | S | * | * | cis | -136.6 | 173.9 | -12.2 | 35.8 | -15.1 | 0 | 0 | 0 | 118.2 | ||||
| 686 | Q | 26 | Very low | 30.4 | Very low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 64.5 | 135.2 | 151.2 | -70.6 | 162.2 | -3.3 | 0 | 0 | 120.4 | ||||
| 687 | S | 24.9 | Very low | 30.3 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | cis | 83.3 | 146 | 37.2 | 90.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 688 | P | 40.8 | Very low | 30.5 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | cis | -138.5 | -158.4 | 46.8 | 38.5 | -15 | 0 | 0 | 0 | 113.3 | ||||
| 689 | Q | 25.7 | Very low | 30.4 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | cis | -159.2 | 161.2 | 18.7 | -151.5 | 159.3 | 24.5 | 0 | 0 | 113.4 | ||||
| 690 | I | 25.2 | Very low | 29.7 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | -140.9 | 137.3 | -169.3 | -71.4 | 161 | 0 | 0 | 0 | 111.4 | ||||
| 691 | P | 40.2 | Very low | 29.8 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | trans | -148.7 | 130.6 | 131.4 | 35.4 | -17.9 | 0 | 0 | 0 | 117.4 | ||||
| 692 | H | 27.5 | Very low | 30.1 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | 14.2 | 157.9 | 126.6 | -50.8 | -68.5 | 0 | 0 | 0 | 122.1 | |||||
| 693 | Q | 25.5 | Very low | 30 | Very low | 195 Ų | 195 | 135 Ų | 135 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | cis | -146.3 | 167.7 | 36.1 | -73.2 | 178.6 | -18.7 | 0 | 0 | 115.9 | ||||
| 694 | S | 26.3 | Very low | 30 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -118.7 | 165.3 | 170.7 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 695 | P | 35.3 | Very low | 30 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | -149.2 | -169.2 | 80.8 | 38 | -16.3 | 0 | 0 | 0 | 116 | |||||
| 696 | S | 25.8 | Very low | 29.2 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -123.3 | -169.9 | -173.2 | 57 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 697 | P | 43.4 | Very low | 29 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | -119.4 | -136.7 | -14.5 | 35 | -11.3 | 0 | 0 | 0 | 109.5 | ||||
| 698 | P | 39.5 | Very low | 28.8 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | cis | -137.1 | -172.9 | -17.2 | 42.2 | -22.1 | 0 | 0 | 0 | 117.2 | ||||
| 699 | D | 24.6 | Very low | 28 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -6.1 | 138.7 | 159.7 | -46.4 | -35 | 0 | 0 | 0 | 123.6 | ||||
| 700 | Y | 25.5 | Very low | 27.9 | Very low | 231 Ų | 231 | 132.7 Ų | 132.7 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | -176.7 | 165.9 | 111 | -118.3 | -92.5 | 0 | 0 | 0 | 112.6 | |||||
| 701 | S | 27.9 | Very low | 27.8 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -124.8 | 153.3 | 171.9 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 702 | P | 32.4 | Very low | 27.1 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -149.1 | -164.2 | 130.9 | 39.4 | -21.7 | 0 | 0 | 0 | 114.4 | ||||
| 703 | T | 26 | Very low | 27 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -114.9 | 171.4 | -159.6 | -23.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 704 | E | 25 | Very low | 27 | Very low | 168 Ų | 168 | 122.5 Ų | 122.5 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | 94.5 | 142.1 | 148 | -80.2 | -165.8 | 150.9 | 0 | 0 | 124 | ||||
| 705 | L | 24 | Very low | 27.1 | Very low | 155 Ų | 155 | 126 Ų | 126 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | 66.4 | 93.8 | 147.2 | -74.3 | 163.7 | 0 | 0 | 0 | 123 | ||||
| 706 | G | 21.4 | Very low | 26.7 | Very low | 82 Ų | 82 | 123.2 Ų | 123.2 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | 95.9 | 158.6 | 111.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 707 | G | 22.4 | Very low | 26.8 | Very low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 112.7 | 52.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 708 | D | 21.3 | Very low | 26 | Very low | 153 Ų | 153 | 119.7 Ų | 119.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | 48.9 | 172 | 129.4 | -154 | 14.2 | 0 | 0 | 0 | 122.8 | |||||
| 709 | L | 23.3 | Very low | 25.2 | Very low | 151 Ų | 151 | 124.6 Ų | 124.6 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 70.8 | 94.5 | 162 | -61.9 | 176.3 | 0 | 0 | 0 | 120.2 | ||||
| 710 | G | 23 | Very low | 25.2 | Very low | 81 Ų | 81 | 121 Ų | 121 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | 109.1 | 123.8 | 96.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 711 | G | 24.1 | Very low | 25 | Very low | 82 Ų | 82 | 114.9 Ų | 114.9 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -171.4 | 31.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 712 | S | 24.5 | Very low | 25.5 | Very low | 110 Ų | 110 | 115.8 Ų | 115.8 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -79.1 | 162.8 | -170.2 | -44.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 713 | S | 26.6 | Very low | 26.1 | Very low | 117 Ų | 117 | 115 Ų | 115 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 138.3 | 151.3 | 143.5 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 714 | A | 25.8 | Very low | 25.9 | Very low | 91 Ų | 91 | 113.7 Ų | 113.7 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | cis | -135.9 | 152.2 | -1.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 715 | M | 27.7 | Very low | 25.9 | Very low | 183 Ų | 183 | 110.2 Ų | 110.2 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | cis | 84.3 | 125.2 | 21.6 | -169 | -179.1 | 175.1 | 0 | 0 | 116.8 | ||||
| 716 | G | 26.4 | Very low | 26.7 | Very low | 70 Ų | 70 | 108.7 Ų | 108.7 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 123.5 | 148.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 717 | A | 29.2 | Very low | 26.7 | Very low | 82 Ų | 82 | 109.6 Ų | 109.6 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | cis | -163.2 | 143.8 | -17.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | F719 | A717-F719 HydrophobicContact CB-CE2 4.12Å; A717-F719 HydrophobicContact CB-CZ 4.11Å | ||
| 718 | G | 25 | Very low | 26.8 | Very low | 67 Ų | 67 | 110.8 Ų | 110.8 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | 105.5 | 164.3 | 97.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 719 | F | 24.3 | Very low | 26.9 | Very low | 208 Ų | 208 | 109.3 Ų | 109.3 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | cis | -155.5 | 162.6 | -7.2 | -69 | -84.5 | 0 | 0 | 0 | 108 | A717 | A717-F719 HydrophobicContact CB-CE2 4.12Å; A717-F719 HydrophobicContact CB-CZ 4.11Å | ||
| 720 | G | 23.4 | Very low | 26.9 | Very low | 69 Ų | 69 | 112 Ų | 112 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | cis | 156.1 | 123.8 | -11.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 721 | A | 21.9 | Very low | 26.8 | Very low | 102 Ų | 102 | 114.1 Ų | 114.1 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | 81.3 | 177.9 | 149 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 722 | P | 37.9 | Very low | 27.1 | Very low | 118 Ų | 118 | 114.5 Ų | 114.5 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | -140.9 | -135.6 | -113.7 | 43.1 | -18.4 | 0 | 0 | 0 | 111.9 | |||||
| 723 | P | 45.7 | Very low | 27.3 | Very low | 117 Ų | 117 | 115.6 Ų | 115.6 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | cis | -126.6 | 179.3 | -36.5 | 39.4 | -24.6 | 0 | 0 | 0 | 113.5 | ||||
| 724 | A | 21.6 | Very low | 27.3 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | 154.1 | 161.7 | 136.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 725 | A | 25.1 | Very low | 27.3 | Very low | 94 Ų | 94 | 117.6 Ų | 117.6 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -135.3 | -171.8 | 179 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 726 | P | 40.9 | Very low | 27.2 | Very low | 123 Ų | 123 | 112.7 Ų | 112.7 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | cis | -144.2 | -151.1 | 7.1 | 45.5 | -24.2 | 0 | 0 | 0 | 115.1 | ||||
| 727 | A | 21.4 | Very low | 27.2 | Very low | 101 Ų | 101 | 113.3 Ų | 113.3 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 99.7 | 156.3 | 159 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 728 | A | 24.8 | Very low | 27.7 | Very low | 102 Ų | 102 | 117.9 Ų | 117.9 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -151.8 | 162.4 | -166 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 729 | S | 21.6 | Very low | 27.7 | Very low | 122 Ų | 122 | 122.6 Ų | 122.6 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -167.7 | 162.3 | 157.4 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 730 | F | 24.2 | Very low | 28.3 | Very low | 208 Ų | 208 | 120.1 Ų | 120.1 | 91% | 0.912 | 83% | 0.829 | S | S | * | * | trans | -92.2 | 153 | -178.5 | -73 | -109 | 0 | 0 | 0 | 112.6 | ||||
| 731 | S | 21.1 | Very low | 28.4 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | -177.9 | 154.2 | 124.7 | 37.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 732 | A | 30.3 | Very low | 28.6 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | trans | -118.3 | 163.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 733 | P | 28.2 | Very low | 28.1 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -135.3 | 162.8 | 137 | 33.8 | -20.4 | 0 | 0 | 0 | 115.3 | ||||
| 734 | V | 27.7 | Very low | 27.2 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 79% | 0.788 | 83% | 0.831 | S | S | * | * | trans | -90.4 | 160.6 | -172 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 735 | S | 25.4 | Very low | 27.4 | Very low | 121 Ų | 121 | 129 Ų | 129 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | 65.3 | 150.7 | 166.1 | 61.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 736 | G | 25.4 | Very low | 27.4 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | cis | 143.5 | 162.2 | 4.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 737 | G | 26.2 | Very low | 26.7 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | 123.5 | 140.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 738 | L | 39.3 | Very low | 27.2 | Very low | 177 Ų | 177 | 128.3 Ų | 128.3 | 93% | 0.927 | 83% | 0.833 | S | S | * | * | trans | -85.6 | 141.7 | 172.5 | -65.6 | 154.9 | 0 | 0 | 0 | 109.2 | ||||
| 739 | D | 25 | Very low | 27.4 | Very low | 167 Ų | 167 | 127 Ų | 127 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | -145.6 | 123.8 | 153.7 | -113.4 | -39.2 | 0 | 0 | 0 | 108.3 | ||||
| 740 | D | 36.6 | Very low | 27.6 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | trans | -136.7 | 112.6 | -177 | -178.9 | 19.3 | 0 | 0 | 0 | 108 | ||||
| 741 | L | 27.2 | Very low | 28.1 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | -154.3 | 84.7 | -168.1 | -163.9 | 74.6 | 0 | 0 | 0 | 113.1 | ||||
| 742 | F | 26 | Very low | 28.7 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 80% | 0.803 | 83% | 0.826 | S | S | * | * | trans | 42.9 | 102.2 | 155.7 | -68.4 | -90.4 | 0 | 0 | 0 | 118 | ||||
| 743 | D | 26.9 | Very low | 29.3 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 68% | 0.679 | 83% | 0.828 | S | S | * | * | 94 | 121.9 | 70.2 | 177.7 | 39.7 | 0 | 0 | 0 | 113 | |||||
| 744 | L | 26.8 | Very low | 30.6 | Very low | 164 Ų | 164 | 125.8 Ų | 125.8 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | 162.9 | 118 | 130.5 | -88.2 | 165.5 | 0 | 0 | 0 | 112.2 | ||||
| 745 | G | 24.6 | Very low | 32.4 | Very low | 77 Ų | 77 | 123.9 Ų | 123.9 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 122.9 | 100.6 | 148.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 746 | G | 25.6 | Very low | 34.3 | Very low | 79 Ų | 79 | 120.9 Ų | 120.9 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | 84.8 | 86.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 747 | G | 26.7 | Very low | 36.6 | Very low | 86 Ų | 86 | 118.7 Ų | 118.7 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | trans | -73.1 | 129.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 748 | V | 31.8 | Very low | 39.1 | Very low | 139 Ų | 139 | 119.4 Ų | 119.4 | 84% | 0.842 | 73% | 0.733 | S | S | * | * | trans | -123.6 | 124.9 | 159.9 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 749 | G | 28.4 | Very low | 41.3 | Very low | 74 Ų | 74 | 114.4 Ų | 114.4 | 76% | 0.763 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 135.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 750 | M | 26.6 | Very low | 44.4 | Very low | 177 Ų | 177 | 110 Ų | 110 | 87% | 0.872 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 144.5 | 168 | -69.7 | -68.6 | -177.6 | 0 | 0 | 110.5 | ||
| 751 | P | 33.6 | Very low | 47 | Very low | 120 Ų | 120 | 106.7 Ų | 106.7 | 78% | 0.779 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -68 | 138.6 | 173.6 | 28.8 | -33.9 | 0 | 0 | 0 | 111 | ||
| 752 | M | 34.2 | Very low | 50.2 | Low | 187 Ų | 187 | 100.9 Ų | 100.9 | 92% | 0.921 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 132.8 | 174.8 | -65.9 | -76 | -79.4 | 0 | 0 | 110.3 | ||
| 753 | G | 42.7 | Very low | 53.4 | Low | 76 Ų | 76 | 92.5 Ų | 92.5 | 78% | 0.784 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 141.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 754 | T | 56.3 | Low | 56.6 | Low | 92 Ų | 92 | 89.3 Ų | 89.3 | 56% | 0.564 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 135.7 | 169.3 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | S756 | T754-S756 PolarHBondContact O-N 3.41Š|
| 755 | Y | 64.5 | Low | 59.5 | Low | 90 Ų | 90 | 82.2 Ų | 82.2 | 35% | 0.353 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 131.6 | 175.7 | 175.2 | -100.5 | 0 | 0 | 0 | 111.2 | P757 N985 | Y755-P757 HydrophobicContact CE1-CB 4.32Å; Y755-N985 HydrophobicContact CD2-CB 3.61Å; Y755-N985 HydrophobicContact CE2-CB 3.23Å; Y755-N985 HydrophobicContact CG-CB 4.4Å; Y755-N985 PolarHBondContact OH-OD1 2.99Å |
| 756 | S | 66.4 | Low | 62.4 | Low | 58 Ų | 58 | 87.6 Ų | 87.6 | 41% | 0.406 | 56% | 0.558 | S | S | . | * | trans | -126.1 | 127.6 | 172.8 | 51.8 | 0 | 0 | 0 | 0 | 108.7 | T754 | T754-S756 PolarHBondContact O-N 3.41Š| ||
| 757 | P | 73.5 | Confident | 65.4 | Low | 34 Ų | 34 | 91.9 Ų | 91.9 | 22% | 0.221 | 55% | 0.554 | C | S | . | * | P | Polyproline II helix | trans | -69.1 | 152.1 | -178.9 | 24.5 | -28.6 | 0 | 0 | 0 | 111.2 | Y755 T776 P869 | Y755-P757 HydrophobicContact CE1-CB 4.32Å; P757-T776 WeakPolarHBondContact O-CB 3.48Å; P757-T776 PolarHBondContact O-OG1 3.38Å; P757-P869 HydrophobicContact CG-CG 3.8Å |
| 758 | P | 78.8 | Confident | 68.2 | Low | 98 Ų | 98 | 87.8 Ų | 87.8 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 154.7 | -179.2 | 27.6 | -35.6 | 0 | 0 | 0 | 112.1 | T760 | P758-T760 PolarHBondContact O-N 3.09Š|
| 759 | K | 85.6 | Confident | 70.8 | Confident | 72 Ų | 72 | 87.4 Ų | 87.4 | 31% | 0.313 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 131.2 | 174.6 | -66.5 | -175.4 | -178.1 | -177.4 | 0 | 110.4 | G775 T776 T789 E831 | K759-G775 CarbonylContact C-O 3.56Å; K759-G775 VanDerWaalsContact CA-O 3.32Å; K759-G775 WeakPolarHBondContact CA-O 3.42Å; K759-T776 HydrophobicContact CG-CG2 3.94Å; K759-T789 PolarHBondContact NZ-OG1 2.86Å; K759-E831 IonicContact NZ-OE1 3.25Å; K759-E831 PolarHBondContact NZ-OE1 2.98Å; K759-E831 IonicContact NZ-OE2 3.33Å; K759-E831 PolarHBondContact NZ-OE2 3.14Å |
| 760 | T | 89.7 | Confident | 73.7 | Confident | 75 Ų | 75 | 84.4 Ų | 84.4 | 46% | 0.46 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 150.3 | 178.8 | 47.7 | 0 | 0 | 0 | 0 | 109.9 | P758 W762 S774 G775 | P758-T760 PolarHBondContact O-N 3.09Å; T760-W762 PolarHBondContact O-N 3.19Å; T760-W762 PolarHBondContact OG1-NE1 2.72Å; T760-S774 CarbonylContact O-C 3.59Å; T760-S774 WeakPolarHBondContact O-CA 3.15Å; T760-S774 WeakPolarHBondContact O-CB 3.46Å; T760-G775 PolarHBondContact N-O 3.18Å; T760-G775 PolarHBondContact O-N 3.46Å; T760-G775 PolarHBondContact OG1-O 2.97Å |
| 761 | V | 92.1 | Very high | 76.8 | Confident | 85 Ų | 85 | 76 Ų | 76 | 52% | 0.515 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 119.5 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | P764 E772 | V761-P764 HydrophobicContact CG1-CG 4.2Å; V761-E772 HydrophobicContact CG1-CG 4.38Å |
| 762 | W | 94.2 | Very high | 79.7 | Confident | 26 Ų | 26 | 72.2 Ų | 72.2 | 10% | 0.098 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -35 | -179.5 | -61.2 | -24.3 | 0 | 0 | 0 | 112.5 | T760 I773 G775 F777 M786 M788 F864 C866 | T760-W762 PolarHBondContact O-N 3.19Å; T760-W762 PolarHBondContact OG1-NE1 2.72Å; W762-I773 HydrophobicContact CE3-CG2 4.3Å; W762-I773 PolarHBondContact N-O 2.77Å; W762-G775 VanDerWaalsContact CH2-C 3.4Å; W762-G775 VanDerWaalsContact CZ2-O 3.24Å; W762-G775 WeakPolarHBondContact CZ2-O 3.19Å; W762-F777 HydrophobicContact CH2-CD2 4.13Å; W762-F777 HydrophobicContact CH2-CE1 4.48Å; W762-F777 AromaticContact CH2-CE2 3.65Å; W762-F777 HydrophobicContact CH2-CE2 3.65Å; W762-F777 AromaticContact CH2-CZ 3.85Å; W762-F777 HydrophobicContact CH2-CZ 3.85Å; W762-F777 AromaticContact CZ2-CD2 3.91Å; W762-F777 HydrophobicContact CZ2-CD2 3.91Å; W762-F777 AromaticContact CZ2-CE2 3.46Å; W762-F777 HydrophobicContact CZ2-CE2 3.46Å; W762-F777 VanDerWaalsContact CZ2-CE2 3.46Å; W762-F777 HydrophobicContact CZ2-CZ 4.11Å; W762-M786 HydrophobicContact CE3-CE 3.9Å; W762-M786 HydrophobicContact CH2-CE 4.06Å; W762-M786 HydrophobicContact CH2-CG 4Å; W762-M786 HydrophobicContact CZ3-CE 3.32Å; W762-M786 HydrophobicContact CZ3-CG 3.93Å; W762-M786 HydrophobicContact CZ3-SD 4.45Å; W762-M788 HydrophobicContact CE3-CG 4.42Å; W762-M788 HydrophobicContact CZ3-CG 3.77Å; W762-F864 HydrophobicContact CB-CD2 3.62Å; W762-F864 HydrophobicContact CB-CE2 3.78Å; W762-F864 HydrophobicContact CB-CG 4.32Å; W762-F864 HydrophobicContact CD2-CE2 4.18Å; W762-F864 AromaticContact CE3-CE2 3.78Å; W762-F864 HydrophobicContact CE3-CE2 3.78Å; W762-F864 HydrophobicContact CE3-CZ 4.22Å; W762-F864 HydrophobicContact CG-CD2 4.39Å; W762-F864 HydrophobicContact CG-CE2 4.25Å; W762-C866 HydrophobicContact CB-CB 4.43Å; W762-C866 HydrophobicContact CD2-CB 3.77Å; W762-C866 HydrophobicContact CG-CB 3.71Å; W762-C866 HydrophobicContact CZ2-CB 4.36Å |
| 763 | L | 93.4 | Very high | 82.6 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 106.5 | 172.6 | -177.1 | 67.1 | 0 | 0 | 0 | 109.1 | K767 E772 I773 F862 F864 | L763-K767 HydrophobicContact CD1-CB 3.98Å; L763-E772 CarbonylContact O-C 3.55Å; L763-E772 VanDerWaalsContact O-CA 3.29Å; L763-E772 WeakPolarHBondContact O-CA 3.37Å; L763-I773 HydrophobicContact CB-CB 3.9Å; L763-I773 HydrophobicContact CB-CD1 4.28Å; L763-I773 HydrophobicContact CB-CG1 4.07Å; L763-I773 HydrophobicContact CD2-CD1 3.87Å; L763-I773 HydrophobicContact CD2-CG1 4.09Å; L763-I773 PolarHBondContact N-O 2.96Å; L763-I773 PolarHBondContact O-N 3.45Å; L763-F862 HydrophobicContact CD2-CB 3.64Å; L763-F862 HydrophobicContact CD2-CG 4.08Å; L763-F864 HydrophobicContact CB-CB 4.44Å; L763-F864 HydrophobicContact CB-CD1 4.31Å |
| 764 | P | 93 | Very high | 85 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | trans | -68.5 | 144.4 | 173.2 | -20.1 | 33 | 0 | 0 | 0 | 111.9 | V761 M766 K767 G768 | V761-P764 HydrophobicContact CG1-CG 4.2Å; P764-M766 PolarHBondContact O-N 3.43Å; P764-K767 PolarHBondContact O-N 3.22Å; P764-G768 PolarHBondContact O-N 3.07Å; P764-G768 VanDerWaalsContact O-N 3.13Å | ||
| 765 | A | 88.4 | Confident | 86.8 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 13% | 0.132 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -36.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K767 G768 K769 G770 L771 E772 K793 | A765-K767 VanDerWaalsContact C-N 3.31Å; A765-K767 PolarHBondContact O-N 2.88Å; A765-G768 PolarHBondContact O-N 2.95Å; A765-K769 PolarHBondContact O-N 3.43Å; A765-G770 WeakPolarHBondContact O-CA 3.35Å; A765-G770 PolarHBondContact O-N 2.9Å; A765-L771 WeakPolarHBondContact CA-O 3.32Å; A765-E772 HydrophobicContact CB-CB 4.1Å; A765-E772 WeakPolarHBondContact CB-OE2 3.48Å; A765-E772 PolarHBondContact N-OE2 3.12Å; A765-K793 HydrophobicContact CB-CB 4.36Å; A765-K793 HydrophobicContact CB-CD 3.91Å; A765-K793 HydrophobicContact CB-CG 4.45Å |
| 766 | M | 85.9 | Confident | 88.1 | Confident | 189 Ų | 189 | 52.6 Ų | 52.6 | 93% | 0.931 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -35.4 | 178.2 | -69.9 | 176.1 | 169 | 0 | 0 | 113.1 | P764 | P764-M766 PolarHBondContact O-N 3.43Š|
| 767 | K | 86.8 | Confident | 89.2 | Confident | 170 Ų | 170 | 50.1 Ų | 50.1 | 74% | 0.739 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -31.3 | 177.6 | -67.4 | -169 | 175 | -172.3 | 0 | 112.1 | L763 P764 A765 K769 | L763-K767 HydrophobicContact CD1-CB 3.98Å; P764-K767 PolarHBondContact O-N 3.22Å; A765-K767 VanDerWaalsContact C-N 3.31Å; A765-K767 PolarHBondContact O-N 2.88Å; K767-K769 VanDerWaalsContact C-N 3.3Å; K767-K769 PolarHBondContact O-N 3.01Å |
| 768 | G | 86.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 20.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | P764 A765 G770 L771 F862 | P764-G768 PolarHBondContact O-N 3.07Å; P764-G768 VanDerWaalsContact O-N 3.13Å; A765-G768 PolarHBondContact O-N 2.95Å; G768-G770 PolarHBondContact O-N 3.2Å; G768-G770 VanDerWaalsContact O-N 3.1Å; G768-L771 WeakPolarHBondContact CA-O 3.22Å; G768-L771 WeakPolarHBondContact O-CB 3.4Å; G768-L771 PolarHBondContact O-N 3.18Å; G768-F862 VanDerWaalsContact O-CE1 3.23Å; G768-F862 WeakPolarHBondContact O-CE1 3.3Å; G768-F862 VanDerWaalsContact O-CZ 3.24Å; G768-F862 WeakPolarHBondContact O-CZ 3.23Å |
| 769 | K | 87.4 | Confident | 89.9 | Confident | 131 Ų | 131 | 47 Ų | 47 | 57% | 0.57 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 36.8 | -174.6 | -64.1 | 177.9 | 176.7 | 175.3 | 0 | 113.2 | A765 K767 D860 F862 | A765-K769 PolarHBondContact O-N 3.43Å; K767-K769 VanDerWaalsContact C-N 3.3Å; K767-K769 PolarHBondContact O-N 3.01Å; K769-D860 IonicContact NZ-OD2 2.66Å; K769-D860 PolarHBondContact NZ-OD2 3.4Å; K769-F862 HydrophobicContact CB-CE1 3.92Å; K769-F862 HydrophobicContact CB-CZ 4.11Å; K769-F862 HydrophobicContact CD-CE1 4.12Å; K769-F862 HydrophobicContact CG-CE1 3.99Å |
| 770 | G | 87.9 | Confident | 89.6 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.1 | -16.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | A765 G768 K793 | A765-G770 WeakPolarHBondContact O-CA 3.35Å; A765-G770 PolarHBondContact O-N 2.9Å; G768-G770 PolarHBondContact O-N 3.2Å; G768-G770 VanDerWaalsContact O-N 3.1Å; G770-K793 WeakPolarHBondContact O-CA 3.42Å; G770-K793 PolarHBondContact O-N 3.02Å |
| 771 | L | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.2 | 168.4 | 178.5 | 61.4 | 0 | 0 | 0 | 109.8 | A765 G768 I773 M798 F801 V855 F862 | A765-L771 WeakPolarHBondContact CA-O 3.32Å; G768-L771 WeakPolarHBondContact CA-O 3.22Å; G768-L771 WeakPolarHBondContact O-CB 3.4Å; G768-L771 PolarHBondContact O-N 3.18Å; L771-I773 HydrophobicContact CD1-CG1 4.45Å; L771-I773 HydrophobicContact CD2-CD1 4.1Å; L771-I773 HydrophobicContact CD2-CG1 4.26Å; L771-I773 HydrophobicContact CG-CD1 4.45Å; L771-I773 HydrophobicContact CG-CG1 4.07Å; L771-M798 HydrophobicContact CB-CE 3.81Å; L771-M798 HydrophobicContact CB-SD 3.94Å; L771-M798 HydrophobicContact CD1-SD 3.88Å; L771-M798 HydrophobicContact CG-SD 4.39Å; L771-F801 HydrophobicContact CD1-CE1 4.15Å; L771-F801 HydrophobicContact CD1-CZ 4.42Å; L771-F801 HydrophobicContact CD2-CE1 4.08Å; L771-V855 HydrophobicContact CD2-CG1 4.4Å; L771-F862 HydrophobicContact CB-CE2 4.43Å; L771-F862 HydrophobicContact CD2-CD2 3.81Å; L771-F862 HydrophobicContact CD2-CE2 4.08Å |
| 772 | E | 94.6 | Very high | 87.9 | Confident | 40 Ų | 40 | 48.9 Ų | 48.9 | 19% | 0.187 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.2 | 170 | -169.4 | 163.5 | 96.8 | 0 | 0 | 109.8 | V761 L763 A765 T791 K793 | V761-E772 HydrophobicContact CG1-CG 4.38Å; L763-E772 CarbonylContact O-C 3.55Å; L763-E772 VanDerWaalsContact O-CA 3.29Å; L763-E772 WeakPolarHBondContact O-CA 3.37Å; A765-E772 HydrophobicContact CB-CB 4.1Å; A765-E772 WeakPolarHBondContact CB-OE2 3.48Å; A765-E772 PolarHBondContact N-OE2 3.12Å; E772-T791 PolarHBondContact N-O 3.44Å; E772-T791 PolarHBondContact O-N 3.34Å; E772-K793 VanDerWaalsContact OE1-CE 3.32Å; E772-K793 WeakPolarHBondContact OE1-CE 3.38Å; E772-K793 IonicContact OE1-NZ 3.88Å; E772-K793 PolarHBondContact OE1-NZ 3.4Å; E772-K793 IonicContact OE2-NZ 2.74Å; E772-K793 PolarHBondContact OE2-NZ 3.35Å |
| 773 | I | 94.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.6 | 177.3 | -52.9 | 179.2 | 0 | 0 | 0 | 107.7 | W762 L763 L771 M788 L790 V855 F864 | W762-I773 HydrophobicContact CE3-CG2 4.3Å; W762-I773 PolarHBondContact N-O 2.77Å; L763-I773 HydrophobicContact CB-CB 3.9Å; L763-I773 HydrophobicContact CB-CD1 4.28Å; L763-I773 HydrophobicContact CB-CG1 4.07Å; L763-I773 HydrophobicContact CD2-CD1 3.87Å; L763-I773 HydrophobicContact CD2-CG1 4.09Å; L763-I773 PolarHBondContact N-O 2.96Å; L763-I773 PolarHBondContact O-N 3.45Å; L771-I773 HydrophobicContact CD1-CG1 4.45Å; L771-I773 HydrophobicContact CD2-CD1 4.1Å; L771-I773 HydrophobicContact CD2-CG1 4.26Å; L771-I773 HydrophobicContact CG-CD1 4.45Å; L771-I773 HydrophobicContact CG-CG1 4.07Å; I773-M788 HydrophobicContact CG2-CG 4.39Å; I773-M788 HydrophobicContact CG2-SD 4.44Å; I773-L790 HydrophobicContact CB-CD2 4.35Å; I773-L790 HydrophobicContact CD1-CD2 4.14Å; I773-L790 HydrophobicContact CG1-CD2 3.78Å; I773-L790 HydrophobicContact CG2-CD2 3.99Å; I773-V855 HydrophobicContact CD1-CB 4.04Å; I773-V855 HydrophobicContact CD1-CG1 4.16Å; I773-V855 HydrophobicContact CD1-CG2 4.02Å; I773-F864 HydrophobicContact CD1-CD1 4.21Å; I773-F864 HydrophobicContact CD1-CE1 3.63Å; I773-F864 HydrophobicContact CD1-CZ 4.39Å; I773-F864 HydrophobicContact CG2-CE1 4.46Å; I773-F864 HydrophobicContact CG2-CZ 4.27Å |
| 774 | S | 93.9 | Very high | 87.1 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 157.4 | 165.1 | 62.3 | 0 | 0 | 0 | 0 | 109.9 | T760 M788 T789 | T760-S774 CarbonylContact O-C 3.59Å; T760-S774 WeakPolarHBondContact O-CA 3.15Å; T760-S774 WeakPolarHBondContact O-CB 3.46Å; S774-M788 CarbonylContact O-C 3.57Å; S774-M788 WeakPolarHBondContact O-CA 3.47Å; S774-T789 PolarHBondContact N-O 3.32Å; S774-T789 PolarHBondContact O-N 3.5Å |
| 775 | G | 92.8 | Very high | 87 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | 176.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | K759 T760 W762 E787 | K759-G775 CarbonylContact C-O 3.56Å; K759-G775 VanDerWaalsContact CA-O 3.32Å; K759-G775 WeakPolarHBondContact CA-O 3.42Å; T760-G775 PolarHBondContact N-O 3.18Å; T760-G775 PolarHBondContact O-N 3.46Å; T760-G775 PolarHBondContact OG1-O 2.97Å; W762-G775 VanDerWaalsContact CH2-C 3.4Å; W762-G775 VanDerWaalsContact CZ2-O 3.24Å; W762-G775 WeakPolarHBondContact CZ2-O 3.19Å; G775-E787 CarbonylContact C-O 3.59Å; G775-E787 WeakPolarHBondContact CA-O 3.27Å |
| 776 | T | 92.1 | Very high | 87.3 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 171.8 | 175 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | P757 K759 E787 | P757-T776 WeakPolarHBondContact O-CB 3.48Å; P757-T776 PolarHBondContact O-OG1 3.38Å; K759-T776 HydrophobicContact CG-CG2 3.94Å; T776-E787 HydrophobicContact CG2-CB 3.98Å; T776-E787 PolarHBondContact N-O 3.11Å; T776-E787 PolarHBondContact O-N 2.63Å |
| 777 | F | 90.4 | Very high | 87.6 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.6 | 173.5 | -63.5 | -87.4 | 0 | 0 | 0 | 110.1 | W762 Q785 M786 L836 L851 M872 | W762-F777 HydrophobicContact CH2-CD2 4.13Å; W762-F777 HydrophobicContact CH2-CE1 4.48Å; W762-F777 AromaticContact CH2-CE2 3.65Å; W762-F777 HydrophobicContact CH2-CE2 3.65Å; W762-F777 AromaticContact CH2-CZ 3.85Å; W762-F777 HydrophobicContact CH2-CZ 3.85Å; W762-F777 AromaticContact CZ2-CD2 3.91Å; W762-F777 HydrophobicContact CZ2-CD2 3.91Å; W762-F777 AromaticContact CZ2-CE2 3.46Å; W762-F777 HydrophobicContact CZ2-CE2 3.46Å; W762-F777 VanDerWaalsContact CZ2-CE2 3.46Å; W762-F777 HydrophobicContact CZ2-CZ 4.11Å; F777-Q785 WeakPolarHBondContact CA-O 3.38Å; F777-M786 HydrophobicContact CD1-CB 4.04Å; F777-M786 HydrophobicContact CD1-CG 4.21Å; F777-M786 HydrophobicContact CE1-CB 3.9Å; F777-M786 HydrophobicContact CE1-CG 3.71Å; F777-M786 HydrophobicContact CE1-SD 4.26Å; F777-M786 HydrophobicContact CZ-CE 4.37Å; F777-M786 HydrophobicContact CZ-CG 4.26Å; F777-L836 HydrophobicContact CD1-CD1 4.31Å; F777-L836 HydrophobicContact CE1-CD1 4.17Å; F777-L851 HydrophobicContact CE1-CD2 4.2Å; F777-L851 HydrophobicContact CZ-CD2 4.01Å; F777-M872 HydrophobicContact CB-CE 4.44Å; F777-M872 HydrophobicContact CB-SD 3.48Å; F777-M872 WeakPolarHBondContact CB-SD 3.33Å; F777-M872 HydrophobicContact CD1-CE 3.94Å; F777-M872 HydrophobicContact CD1-SD 4.09Å; F777-M872 HydrophobicContact CG-CE 4.32Å; F777-M872 HydrophobicContact CG-SD 3.94Å |
| 778 | A | 84.3 | Confident | 87.9 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 5% | 0.05 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 152.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R780 Q785 E787 | A778-R780 HydrophobicContact CB-CG 4.3Å; A778-Q785 PolarHBondContact N-O 3.23Å; A778-Q785 PolarHBondContact O-N 2.98Å; A778-E787 WeakPolarHBondContact CB-OE1 3.45Å |
| 779 | R | 81.8 | Confident | 88.2 | Confident | 60 Ų | 60 | 34 Ų | 34 | 23% | 0.226 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113.4 | 167.6 | -169.5 | -176.2 | -178.7 | 84.6 | 9.3 | 107.8 | A782 V783 M872 | R779-A782 PolarHBondContact NH2-O 2.92Å; R779-V783 CarbonylContact C-O 3.41Å; R779-V783 WeakPolarHBondContact CA-O 3.1Å; R779-M872 PolarHBondContact NH1-O 2.87Å |
| 780 | R | 79.1 | Confident | 88.5 | Confident | 119 Ų | 119 | 27.8 Ų | 27.8 | 45% | 0.449 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.6 | -177.7 | -58.8 | -170.5 | -168.3 | -93.2 | 2.9 | 109.3 | A778 A782 V783 E787 | A778-R780 HydrophobicContact CB-CG 4.3Å; R780-A782 PolarHBondContact O-N 3.43Å; R780-V783 PolarHBondContact N-O 3.08Å; R780-V783 PolarHBondContact O-N 2.91Å; R780-E787 IonicContact CZ-OE1 3.83Å; R780-E787 IonicContact NE-OE1 3.27Å; R780-E787 PolarHBondContact NE-OE1 3.03Å; R780-E787 VanDerWaalsContact NH2-CD 3.35Å; R780-E787 IonicContact NH2-OE1 2.69Å; R780-E787 PolarHBondContact NH2-OE1 2.79Å; R780-E787 IonicContact NH2-OE2 3.86Å; R780-E787 PolarHBondContact NH2-OE2 2.91Å; R780-E787 VanDerWaalsContact NH2-OE2 3.16Å |
| 781 | A | 71.8 | Confident | 88.8 | Confident | 103 Ų | 103 | 28.2 Ų | 28.2 | 85% | 0.851 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 55.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V783 | A781-V783 PolarHBondContact O-N 3.46Š|
| 782 | A | 74.1 | Confident | 88.8 | Confident | 49 Ų | 49 | 28.2 Ų | 28.2 | 41% | 0.405 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | -8.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | R779 R780 E876 | R779-A782 PolarHBondContact NH2-O 2.92Å; R780-A782 PolarHBondContact O-N 3.43Å; A782-E876 WeakPolarHBondContact CB-OE1 3.37Å |
| 783 | V | 82.2 | Confident | 88.6 | Confident | 65 Ų | 65 | 31.1 Ų | 31.1 | 39% | 0.394 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 136 | 177.9 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | R779 R780 A781 Q785 P835 | R779-V783 CarbonylContact C-O 3.41Å; R779-V783 WeakPolarHBondContact CA-O 3.1Å; R780-V783 PolarHBondContact N-O 3.08Å; R780-V783 PolarHBondContact O-N 2.91Å; A781-V783 PolarHBondContact O-N 3.46Å; V783-Q785 HydrophobicContact CG1-CG 4.13Å; V783-P835 HydrophobicContact CG1-CB 4.19Å |
| 784 | I | 90.1 | Very high | 88.3 | Confident | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 133.7 | 171.9 | -59.1 | 174.1 | 0 | 0 | 0 | 108.3 | L812 L836 T838 M872 L873 | I784-L812 HydrophobicContact CD1-CD2 4.46Å; I784-L836 HydrophobicContact CB-CB 4.22Å; I784-L836 HydrophobicContact CG2-CB 3.97Å; I784-L836 HydrophobicContact CG2-CD1 4.08Å; I784-L836 HydrophobicContact CG2-CG 4.35Å; I784-L836 PolarHBondContact O-N 3.11Å; I784-T838 HydrophobicContact CD1-CG2 4Å; I784-M872 HydrophobicContact CG2-CE 3.8Å; I784-M872 HydrophobicContact CG2-CG 4.28Å; I784-M872 HydrophobicContact CG2-SD 4.17Å; I784-L873 HydrophobicContact CD1-CD2 3.8Å |
| 785 | Q | 90.9 | Very high | 87.9 | Confident | 39 Ų | 39 | 39.3 Ų | 39.3 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135 | -176.5 | -66 | -177.9 | -17 | 0 | 0 | 111 | F777 A778 V783 T833 L834 | F777-Q785 WeakPolarHBondContact CA-O 3.38Å; A778-Q785 PolarHBondContact N-O 3.23Å; A778-Q785 PolarHBondContact O-N 2.98Å; V783-Q785 HydrophobicContact CG1-CG 4.13Å; Q785-T833 HydrophobicContact CB-CG2 3.84Å; Q785-T833 HydrophobicContact CG-CG2 4.06Å; Q785-L834 WeakPolarHBondContact CA-O 3.46Å |
| 786 | M | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 110.3 | 168.2 | -178.7 | -174.5 | -166.8 | 0 | 0 | 107.5 | W762 F777 M788 I803 F805 L834 L836 V853 F864 | W762-M786 HydrophobicContact CE3-CE 3.9Å; W762-M786 HydrophobicContact CH2-CE 4.06Å; W762-M786 HydrophobicContact CH2-CG 4Å; W762-M786 HydrophobicContact CZ3-CE 3.32Å; W762-M786 HydrophobicContact CZ3-CG 3.93Å; W762-M786 HydrophobicContact CZ3-SD 4.45Å; F777-M786 HydrophobicContact CD1-CB 4.04Å; F777-M786 HydrophobicContact CD1-CG 4.21Å; F777-M786 HydrophobicContact CE1-CB 3.9Å; F777-M786 HydrophobicContact CE1-CG 3.71Å; F777-M786 HydrophobicContact CE1-SD 4.26Å; F777-M786 HydrophobicContact CZ-CE 4.37Å; F777-M786 HydrophobicContact CZ-CG 4.26Å; M786-M788 HydrophobicContact CE-CE 4.43Å; M786-M788 HydrophobicContact CE-CG 4.35Å; M786-M788 HydrophobicContact CE-SD 3.79Å; M786-M788 HydrophobicContact CG-CE 4.04Å; M786-M788 HydrophobicContact CG-CG 4.14Å; M786-M788 HydrophobicContact CG-SD 4.29Å; M786-M788 HydrophobicContact SD-CE 3.83Å; M786-M788 HydrophobicContact SD-SD 3.99Å; M786-I803 HydrophobicContact CE-CD1 4.45Å; M786-I803 HydrophobicContact SD-CD1 4.29Å; M786-F805 HydrophobicContact CE-CE1 4.38Å; M786-F805 HydrophobicContact CE-CZ 4.48Å; M786-F805 HydrophobicContact SD-CE1 3.89Å; M786-F805 HydrophobicContact SD-CZ 3.57Å; M786-F805 VanDerWaalsContact SD-CZ 3.57Å; M786-L834 HydrophobicContact CB-CB 4.33Å; M786-L834 PolarHBondContact N-O 3.04Å; M786-L834 PolarHBondContact O-N 2.79Å; M786-L834 HydrophobicContact SD-CD2 4.18Å; M786-L836 HydrophobicContact CB-CD1 4.16Å; M786-L836 HydrophobicContact CB-CD2 4.31Å; M786-L836 HydrophobicContact CB-CG 4.32Å; M786-V853 HydrophobicContact CE-CG1 4.39Å; M786-V853 HydrophobicContact CE-CG2 4.2Å; M786-F864 HydrophobicContact CE-CE2 4.23Å; M786-F864 HydrophobicContact CE-CZ 4.13Å |
| 787 | E | 92.4 | Very high | 87.5 | Confident | 24 Ų | 24 | 44.8 Ų | 44.8 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 107.4 | -178.3 | -70.9 | 177.3 | -165.8 | 0 | 0 | 108.9 | G775 T776 A778 R780 T833 | G775-E787 CarbonylContact C-O 3.59Å; G775-E787 WeakPolarHBondContact CA-O 3.27Å; T776-E787 HydrophobicContact CG2-CB 3.98Å; T776-E787 PolarHBondContact N-O 3.11Å; T776-E787 PolarHBondContact O-N 2.63Å; A778-E787 WeakPolarHBondContact CB-OE1 3.45Å; R780-E787 IonicContact CZ-OE1 3.83Å; R780-E787 IonicContact NE-OE1 3.27Å; R780-E787 PolarHBondContact NE-OE1 3.03Å; R780-E787 VanDerWaalsContact NH2-CD 3.35Å; R780-E787 IonicContact NH2-OE1 2.69Å; R780-E787 PolarHBondContact NH2-OE1 2.79Å; R780-E787 IonicContact NH2-OE2 3.86Å; R780-E787 PolarHBondContact NH2-OE2 2.91Å; R780-E787 VanDerWaalsContact NH2-OE2 3.16Å; E787-T833 HydrophobicContact CG-CG2 4.11Å |
| 788 | M | 93.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 152.6 | -178 | -73.2 | 171.5 | -76.2 | 0 | 0 | 111.9 | W762 I773 S774 M786 I803 L818 E831 V832 L834 | W762-M788 HydrophobicContact CE3-CG 4.42Å; W762-M788 HydrophobicContact CZ3-CG 3.77Å; I773-M788 HydrophobicContact CG2-CG 4.39Å; I773-M788 HydrophobicContact CG2-SD 4.44Å; S774-M788 CarbonylContact O-C 3.57Å; S774-M788 WeakPolarHBondContact O-CA 3.47Å; M786-M788 HydrophobicContact CE-CE 4.43Å; M786-M788 HydrophobicContact CE-CG 4.35Å; M786-M788 HydrophobicContact CE-SD 3.79Å; M786-M788 HydrophobicContact CG-CE 4.04Å; M786-M788 HydrophobicContact CG-CG 4.14Å; M786-M788 HydrophobicContact CG-SD 4.29Å; M786-M788 HydrophobicContact SD-CE 3.83Å; M786-M788 HydrophobicContact SD-SD 3.99Å; M788-I803 HydrophobicContact CE-CD1 4Å; M788-I803 HydrophobicContact SD-CD1 4.11Å; M788-L818 HydrophobicContact CE-CD1 3.63Å; M788-E831 CarbonylContact O-C 3.58Å; M788-E831 WeakPolarHBondContact O-CA 3.43Å; M788-V832 PolarHBondContact N-O 3.24Å; M788-V832 PolarHBondContact O-N 3.26Å; M788-L834 HydrophobicContact CE-CB 3.87Å; M788-L834 HydrophobicContact CE-CD2 4.15Å |
| 789 | T | 93.5 | Very high | 87.8 | Confident | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 113.9 | 162.3 | -52.2 | 0 | 0 | 0 | 0 | 107.3 | K759 S774 I830 E831 | K759-T789 PolarHBondContact NZ-OG1 2.86Å; S774-T789 PolarHBondContact N-O 3.32Å; S774-T789 PolarHBondContact O-N 3.5Å; T789-I830 CarbonylContact C-O 3.53Å; T789-I830 WeakPolarHBondContact CA-O 3.14Å; T789-E831 HydrophobicContact CG2-CG 4.35Å; T789-E831 PolarHBondContact OG1-OE1 2.87Å |
| 790 | L | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.6 | 178.5 | -54 | 176.9 | 0 | 0 | 0 | 108.2 | I773 F801 L818 V820 L824 S829 I830 V832 | I773-L790 HydrophobicContact CB-CD2 4.35Å; I773-L790 HydrophobicContact CD1-CD2 4.14Å; I773-L790 HydrophobicContact CG1-CD2 3.78Å; I773-L790 HydrophobicContact CG2-CD2 3.99Å; L790-F801 HydrophobicContact CD1-CD1 4.17Å; L790-F801 HydrophobicContact CD1-CE1 4.16Å; L790-L818 HydrophobicContact CD1-CD2 4.49Å; L790-V820 HydrophobicContact CD1-CG2 3.82Å; L790-L824 HydrophobicContact CB-CD2 4.11Å; L790-S829 CarbonylContact O-C 3.47Å; L790-S829 VanDerWaalsContact O-CA 3.29Å; L790-S829 WeakPolarHBondContact O-CA 3.44Å; L790-I830 HydrophobicContact CB-CG2 3.98Å; L790-I830 HydrophobicContact CD1-CG2 4.46Å; L790-I830 PolarHBondContact N-O 2.95Å; L790-I830 PolarHBondContact O-N 3.47Å; L790-V832 HydrophobicContact CD1-CG2 4.03Å; L790-V832 HydrophobicContact CG-CG2 4.4Å |
| 791 | T | 93 | Very high | 88.7 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.4 | -178.2 | -63.3 | 0 | 0 | 0 | 0 | 110 | E772 K793 S829 | E772-T791 PolarHBondContact N-O 3.44Å; E772-T791 PolarHBondContact O-N 3.34Å; T791-K793 HydrophobicContact CG2-CG 4.06Å; T791-S829 WeakPolarHBondContact CB-OG 3.46Å; T791-S829 VanDerWaalsContact CG2-OG 3.29Å; T791-S829 WeakPolarHBondContact CG2-OG 3.45Å; T791-S829 WeakPolarHBondContact OG1-CB 3.44Å; T791-S829 PolarHBondContact OG1-OG 3.48Å |
| 792 | N | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 114.5 | 176.7 | 179.4 | 5.9 | 0 | 0 | 0 | 110 | A794 S796 M798 L824 S825 N827 Q828 | N792-A794 WeakPolarHBondContact OD1-CA 3.45Å; N792-A794 VanDerWaalsContact OD1-CB 3.31Å; N792-A794 WeakPolarHBondContact OD1-CB 3.44Å; N792-A794 PolarHBondContact OD1-N 3.41Å; N792-S796 PolarHBondContact ND2-O 3.4Å; N792-M798 HydrophobicContact CB-CE 4.32Å; N792-M798 HydrophobicContact CB-SD 3.9Å; N792-M798 WeakPolarHBondContact OD1-CE 3.4Å; N792-L824 HydrophobicContact CB-CB 4.49Å; N792-L824 HydrophobicContact CB-CD2 3.8Å; N792-L824 HydrophobicContact CB-CG 3.75Å; N792-L824 PolarHBondContact ND2-O 3.08Å; N792-S825 PolarHBondContact ND2-O 3.03Å; N792-N827 WeakPolarHBondContact O-CA 3.37Å; N792-N827 PolarHBondContact O-N 2.77Å; N792-Q828 PolarHBondContact N-O 2.96Å |
| 793 | K | 91 | Very high | 90.5 | Very high | 100 Ų | 100 | 40.4 Ų | 40.4 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | trans | -109.5 | 10.8 | 171.6 | -55.1 | -174 | -171.6 | 166.4 | 0 | 112.7 | A765 G770 E772 T791 | A765-K793 HydrophobicContact CB-CB 4.36Å; A765-K793 HydrophobicContact CB-CD 3.91Å; A765-K793 HydrophobicContact CB-CG 4.45Å; G770-K793 WeakPolarHBondContact O-CA 3.42Å; G770-K793 PolarHBondContact O-N 3.02Å; E772-K793 VanDerWaalsContact OE1-CE 3.32Å; E772-K793 WeakPolarHBondContact OE1-CE 3.38Å; E772-K793 IonicContact OE1-NZ 3.88Å; E772-K793 PolarHBondContact OE1-NZ 3.4Å; E772-K793 IonicContact OE2-NZ 2.74Å; E772-K793 PolarHBondContact OE2-NZ 3.35Å; T791-K793 HydrophobicContact CG2-CG 4.06Å | ||
| 794 | A | 87.3 | Confident | 91 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 12% | 0.116 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -82.1 | 163.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N792 S796 M798 P826 | N792-A794 WeakPolarHBondContact OD1-CA 3.45Å; N792-A794 VanDerWaalsContact OD1-CB 3.31Å; N792-A794 WeakPolarHBondContact OD1-CB 3.44Å; N792-A794 PolarHBondContact OD1-N 3.41Å; A794-S796 VanDerWaalsContact C-N 3.28Å; A794-M798 HydrophobicContact CB-CE 3.8Å; A794-P826 VanDerWaalsContact O-CB 3.27Å; A794-P826 WeakPolarHBondContact O-CB 3.4Å |
| 795 | M | 86 | Confident | 91.2 | Very high | 183 Ų | 183 | 44.1 Ų | 44.1 | 90% | 0.901 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -82.5 | -2.8 | 174.6 | -64.7 | -64 | -70.3 | 0 | 0 | 113.5 | ||
| 796 | S | 86.6 | Confident | 91.2 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 40% | 0.399 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -108 | 153.5 | 179.3 | 49.1 | 0 | 0 | 0 | 0 | 111.8 | N792 A794 | N792-S796 PolarHBondContact ND2-O 3.4Å; A794-S796 VanDerWaalsContact C-N 3.28Å |
| 797 | V | 89.3 | Confident | 91.1 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | trans | -77.8 | 134.5 | 173.8 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | T799 P823 N858 | V797-T799 HydrophobicContact CG1-CG2 4.47Å; V797-P823 HydrophobicContact CG1-CB 3.69Å; V797-N858 PolarHBondContact O-ND2 3.05Å | ||
| 798 | M | 90.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -99.1 | 133.5 | 177.5 | -65 | 172.6 | -176.8 | 0 | 0 | 111.9 | L771 N792 A794 F801 L824 N858 I859 | L771-M798 HydrophobicContact CB-CE 3.81Å; L771-M798 HydrophobicContact CB-SD 3.94Å; L771-M798 HydrophobicContact CD1-SD 3.88Å; L771-M798 HydrophobicContact CG-SD 4.39Å; N792-M798 HydrophobicContact CB-CE 4.32Å; N792-M798 HydrophobicContact CB-SD 3.9Å; N792-M798 WeakPolarHBondContact OD1-CE 3.4Å; A794-M798 HydrophobicContact CB-CE 3.8Å; M798-F801 HydrophobicContact CB-CE2 3.76Å; M798-F801 HydrophobicContact CB-CZ 3.6Å; M798-F801 HydrophobicContact SD-CZ 4.26Å; M798-L824 HydrophobicContact CB-CB 4.34Å; M798-L824 PolarHBondContact N-O 3.08Å; M798-L824 PolarHBondContact O-N 2.85Å; M798-N858 VanDerWaalsContact CA-OD1 3.3Å; M798-N858 WeakPolarHBondContact CA-OD1 3.41Å; M798-I859 HydrophobicContact CE-CD1 3.8Å; M798-I859 HydrophobicContact CG-CD1 3.81Å |
| 799 | T | 90.4 | Very high | 90.8 | Very high | 39 Ų | 39 | 52.1 Ų | 52.1 | 24% | 0.239 | 27% | 0.271 | C | S | . | . | trans | -137.2 | 178.9 | 179.7 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | V797 F801 P823 N857 N858 | V797-T799 HydrophobicContact CG1-CG2 4.47Å; T799-F801 VanDerWaalsContact C-N 3.31Å; T799-F801 PolarHBondContact O-N 3.24Å; T799-P823 HydrophobicContact CG2-CB 3.75Å; T799-P823 HydrophobicContact CG2-CG 3.99Å; T799-N857 CarbonylContact O-C 3.45Å; T799-N857 WeakPolarHBondContact O-CA 3.29Å; T799-N857 WeakPolarHBondContact O-CB 3.09Å; T799-N858 VanDerWaalsContact N-CG 3.27Å; T799-N858 PolarHBondContact N-ND2 3.28Å; T799-N858 PolarHBondContact N-OD1 2.94Å; T799-N858 PolarHBondContact O-N 2.76Å; T799-N858 PolarHBondContact O-OD1 2.9Å; T799-N858 VanDerWaalsContact OG1-CB 3.31Å; T799-N858 WeakPolarHBondContact OG1-CB 3.12Å; T799-N858 VanDerWaalsContact OG1-CG 3.27Å; T799-N858 PolarHBondContact OG1-ND2 3.17Å; T799-N858 VanDerWaalsContact OG1-ND2 3.09Å | ||
| 800 | D | 88.2 | Confident | 90.5 | Very high | 119 Ų | 119 | 51.8 Ų | 51.8 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | trans | 60.5 | 37.9 | 167.4 | -48.6 | -64.9 | 0 | 0 | 0 | 114.2 | A802 N858 | D800-A802 PolarHBondContact O-N 3.37Å; D800-N858 HydrophobicContact CB-CB 4.46Å | ||
| 801 | F | 91.5 | Very high | 90.3 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | trans | -66.3 | 124.8 | -180 | -76 | -85.2 | 0 | 0 | 0 | 112.2 | L771 L790 M798 T799 L818 V820 L824 V855 K856 N857 | L771-F801 HydrophobicContact CD1-CE1 4.15Å; L771-F801 HydrophobicContact CD1-CZ 4.42Å; L771-F801 HydrophobicContact CD2-CE1 4.08Å; L790-F801 HydrophobicContact CD1-CD1 4.17Å; L790-F801 HydrophobicContact CD1-CE1 4.16Å; M798-F801 HydrophobicContact CB-CE2 3.76Å; M798-F801 HydrophobicContact CB-CZ 3.6Å; M798-F801 HydrophobicContact SD-CZ 4.26Å; T799-F801 VanDerWaalsContact C-N 3.31Å; T799-F801 PolarHBondContact O-N 3.24Å; F801-L818 HydrophobicContact CB-CD2 4.27Å; F801-V820 HydrophobicContact CB-CB 3.94Å; F801-V820 HydrophobicContact CB-CG2 3.47Å; F801-V820 VanDerWaalsContact CB-CG2 3.47Å; F801-V820 HydrophobicContact CD1-CG2 4.46Å; F801-V820 HydrophobicContact CD2-CB 3.86Å; F801-V820 HydrophobicContact CD2-CG1 3.69Å; F801-V820 HydrophobicContact CD2-CG2 3.92Å; F801-V820 HydrophobicContact CE2-CG1 4.09Å; F801-V820 HydrophobicContact CG-CB 4.14Å; F801-V820 HydrophobicContact CG-CG1 4.36Å; F801-V820 HydrophobicContact CG-CG2 3.72Å; F801-L824 HydrophobicContact CE2-CB 4.17Å; F801-L824 HydrophobicContact CZ-CB 4.42Å; F801-L824 HydrophobicContact CZ-CD2 4.2Å; F801-V855 HydrophobicContact CD1-CG1 4.24Å; F801-K856 CarbonylContact C-O 3.58Å; F801-K856 VanDerWaalsContact CA-O 3.26Å; F801-K856 WeakPolarHBondContact CA-O 3.45Å; F801-N857 HydrophobicContact CD1-CB 3.92Å; F801-N857 HydrophobicContact CE1-CB 3.9Å; F801-N857 HydrophobicContact CG-CB 4.32Å; F801-N857 HydrophobicContact CZ-CB 4.28Å | ||
| 802 | A | 90.3 | Very high | 90.3 | Very high | 47 Ų | 47 | 51 Ų | 51 | 39% | 0.388 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 155.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | D800 V855 K856 | D800-A802 PolarHBondContact O-N 3.37Å; A802-V855 CarbonylContact O-C 3.59Å; A802-V855 WeakPolarHBondContact O-CA 3.31Å; A802-K856 HydrophobicContact CB-CB 4.43Å; A802-K856 PolarHBondContact N-O 3.12Å; A802-K856 PolarHBondContact O-N 2.83Å |
| 803 | I | 93.9 | Very high | 90.2 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141.7 | -177.9 | -162.5 | 165.4 | 0 | 0 | 0 | 111.5 | M786 M788 F805 P814 L818 L834 V853 A854 V855 | M786-I803 HydrophobicContact CE-CD1 4.45Å; M786-I803 HydrophobicContact SD-CD1 4.29Å; M788-I803 HydrophobicContact CE-CD1 4Å; M788-I803 HydrophobicContact SD-CD1 4.11Å; I803-F805 HydrophobicContact CD1-CE1 3.91Å; I803-F805 HydrophobicContact CG1-CD1 4.43Å; I803-F805 HydrophobicContact CG1-CE1 4.07Å; I803-P814 HydrophobicContact CG2-CG 4.18Å; I803-L818 HydrophobicContact CB-CB 4.25Å; I803-L818 HydrophobicContact CB-CD2 4.22Å; I803-L818 HydrophobicContact CG2-CB 3.83Å; I803-L834 HydrophobicContact CD1-CD2 3.91Å; I803-L834 HydrophobicContact CG2-CD1 4.33Å; I803-L834 HydrophobicContact CG2-CD2 3.7Å; I803-V853 HydrophobicContact CD1-CG1 3.78Å; I803-V853 HydrophobicContact CG1-CG1 3.78Å; I803-A854 WeakPolarHBondContact CA-O 3.38Å; I803-V855 HydrophobicContact CB-CG2 4.32Å; I803-V855 HydrophobicContact CD1-CG2 3.75Å; I803-V855 HydrophobicContact CG1-CG2 3.73Å |
| 804 | Q | 92.2 | Very high | 90.3 | Very high | 135 Ų | 135 | 48.7 Ų | 48.7 | 63% | 0.631 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 141.8 | 175.4 | -177 | 172 | -5.6 | 0 | 0 | 109.3 | A854 | Q804-A854 PolarHBondContact N-O 2.82Å; Q804-A854 PolarHBondContact O-N 2.89Å |
| 805 | F | 94.2 | Very high | 90.3 | Very high | 19 Ų | 19 | 51 Ų | 51 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 146.1 | 172.9 | -62.4 | -6.2 | 0 | 0 | 0 | 109.7 | M786 I803 P814 L834 L836 L851 V853 | M786-F805 HydrophobicContact CE-CE1 4.38Å; M786-F805 HydrophobicContact CE-CZ 4.48Å; M786-F805 HydrophobicContact SD-CE1 3.89Å; M786-F805 HydrophobicContact SD-CZ 3.57Å; M786-F805 VanDerWaalsContact SD-CZ 3.57Å; I803-F805 HydrophobicContact CD1-CE1 3.91Å; I803-F805 HydrophobicContact CG1-CD1 4.43Å; I803-F805 HydrophobicContact CG1-CE1 4.07Å; F805-P814 HydrophobicContact CD1-CG 4.14Å; F805-P814 HydrophobicContact CD2-CG 4.3Å; F805-P814 HydrophobicContact CE1-CG 4.11Å; F805-P814 HydrophobicContact CE2-CG 4.27Å; F805-P814 HydrophobicContact CG-CG 4.23Å; F805-P814 HydrophobicContact CZ-CG 4.16Å; F805-L834 HydrophobicContact CE1-CD2 4.44Å; F805-L834 HydrophobicContact CZ-CD2 4.2Å; F805-L836 HydrophobicContact CE2-CD1 3.97Å; F805-L836 HydrophobicContact CE2-CD2 3.56Å; F805-L836 HydrophobicContact CE2-CG 4.39Å; F805-L836 HydrophobicContact CZ-CD1 4.34Å; F805-L836 HydrophobicContact CZ-CD2 3.62Å; F805-L851 HydrophobicContact CB-CD1 4.27Å; F805-L851 HydrophobicContact CD2-CD1 3.89Å; F805-L851 HydrophobicContact CD2-CD2 4Å; F805-L851 HydrophobicContact CD2-CG 4.41Å; F805-L851 HydrophobicContact CE1-CD2 4.43Å; F805-L851 HydrophobicContact CE2-CD1 4.49Å; F805-L851 HydrophobicContact CE2-CD2 3.8Å; F805-L851 HydrophobicContact CG-CD1 4.16Å; F805-L851 HydrophobicContact CG-CD2 4.42Å; F805-L851 HydrophobicContact CZ-CD2 4.05Å; F805-V853 HydrophobicContact CD1-CB 4.3Å; F805-V853 HydrophobicContact CD1-CG1 3.93Å; F805-V853 HydrophobicContact CD1-CG2 3.82Å; F805-V853 HydrophobicContact CE1-CG1 3.91Å; F805-V853 HydrophobicContact CE1-CG2 3.9Å |
| 806 | N | 92.8 | Very high | 90.3 | Very high | 63 Ų | 63 | 43.9 Ų | 43.9 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | trans | -76 | 167.9 | 167.5 | -71.5 | -9.4 | 0 | 0 | 0 | 110.9 | N808 Q852 | N806-N808 PolarHBondContact O-N 2.96Å; N806-N808 PolarHBondContact O-ND2 3.07Å; N806-Q852 HydrophobicContact CB-CB 3.99Å; N806-Q852 PolarHBondContact N-O 3.31Å; N806-Q852 PolarHBondContact ND2-OE1 2.85Å | ||
| 807 | R | 90.6 | Very high | 90.2 | Very high | 153 Ų | 153 | 46.1 Ų | 46.1 | 58% | 0.577 | 27% | 0.267 | S | S | * | . | trans | -56.3 | 138.4 | 171.3 | -51.2 | -173.1 | -177.8 | 174.1 | 2.5 | 109.7 | P841 M843 | R807-P841 VanDerWaalsContact CA-O 3.32Å; R807-P841 WeakPolarHBondContact CA-O 3.41Å; R807-P841 WeakPolarHBondContact CB-O 3.42Å; R807-P841 HydrophobicContact CG-CB 4.01Å; R807-P841 HydrophobicContact CG-CG 4Å; R807-M843 HydrophobicContact CB-CB 3.4Å; R807-M843 VanDerWaalsContact CB-CB 3.4Å; R807-M843 HydrophobicContact CB-CE 4.4Å; R807-M843 HydrophobicContact CB-CG 4.44Å; R807-M843 HydrophobicContact CB-SD 4.26Å; R807-M843 HydrophobicContact CG-CB 4.48Å | ||
| 808 | N | 91.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.011 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -150.6 | 165.2 | -173.8 | 62.3 | 82.5 | 0 | 0 | 0 | 112.1 | N806 F810 G811 L812 P841 V842 M843 M845 L851 | N806-N808 PolarHBondContact O-N 2.96Å; N806-N808 PolarHBondContact O-ND2 3.07Å; N808-F810 PolarHBondContact O-N 3.4Å; N808-G811 PolarHBondContact O-N 2.64Å; N808-G811 PolarHBondContact OD1-N 2.95Å; N808-L812 PolarHBondContact ND2-O 2.92Å; N808-L812 PolarHBondContact OD1-N 2.87Å; N808-P841 PolarHBondContact N-O 3.01Å; N808-V842 WeakPolarHBondContact O-CA 3.37Å; N808-M843 CarbonylContact C-O 3.59Å; N808-M843 VanDerWaalsContact CA-O 3.31Å; N808-M843 WeakPolarHBondContact CA-O 3.5Å; N808-M843 PolarHBondContact O-N 3.47Å; N808-M843 VanDerWaalsContact O-N 3.12Å; N808-M845 HydrophobicContact CB-CG 4.3Å; N808-L851 HydrophobicContact CB-CD1 4.12Å |
| 809 | S | 87.3 | Confident | 89.7 | Confident | 14 Ų | 14 | 50 Ų | 50 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.7 | -163.1 | -39.3 | 0 | 0 | 0 | 0 | 115.1 | M843 M845 L848 | S809-M843 VanDerWaalsContact CA-O 3.29Å; S809-M843 WeakPolarHBondContact CA-O 3.18Å; S809-M843 PolarHBondContact N-O 2.84Å; S809-M845 WeakPolarHBondContact OG-CB 3.32Å; S809-M845 PolarHBondContact OG-N 3.12Å; S809-L848 WeakPolarHBondContact CB-O 3.4Å; S809-L848 PolarHBondContact OG-O 3.41Å |
| 810 | F | 88.3 | Confident | 89.4 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 4% | 0.044 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 15.4 | -175.9 | -64.1 | -87.8 | 0 | 0 | 0 | 113.2 | N808 L812 L848 Y868 I870 L873 L941 N943 | N808-F810 PolarHBondContact O-N 3.4Å; F810-L812 VanDerWaalsContact C-N 3.28Å; F810-L812 PolarHBondContact O-N 3.32Å; F810-L848 HydrophobicContact CE2-CB 4.28Å; F810-Y868 WeakPolarHBondContact CD2-OH 3.29Å; F810-I870 HydrophobicContact CD2-CD1 3.99Å; F810-I870 HydrophobicContact CE1-CD1 4.11Å; F810-I870 HydrophobicContact CE2-CD1 3.52Å; F810-I870 HydrophobicContact CG-CD1 4.47Å; F810-I870 HydrophobicContact CZ-CD1 3.59Å; F810-L873 HydrophobicContact CB-CD1 3.49Å; F810-L873 VanDerWaalsContact CB-CD1 3.49Å; F810-L873 HydrophobicContact CD1-CD1 3.51Å; F810-L873 HydrophobicContact CD2-CD1 3.98Å; F810-L873 HydrophobicContact CE1-CD1 4.23Å; F810-L873 HydrophobicContact CG-CD1 3.37Å; F810-L941 HydrophobicContact CD1-CD2 4.38Å; F810-L941 HydrophobicContact CE1-CD2 3.56Å; F810-L941 HydrophobicContact CZ-CD2 4.13Å; F810-N943 WeakPolarHBondContact CD1-ND2 3.48Å; F810-N943 WeakPolarHBondContact CE1-ND2 3.35Å |
| 811 | G | 89.3 | Confident | 88.7 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | trans | 64.3 | 27.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N808 A813 T838 V839 G840 | N808-G811 PolarHBondContact O-N 2.64Å; N808-G811 PolarHBondContact OD1-N 2.95Å; G811-A813 PolarHBondContact O-N 2.89Å; G811-T838 CarbonylContact O-C 3.57Å; G811-T838 VanDerWaalsContact O-CA 3.27Å; G811-T838 WeakPolarHBondContact O-CA 3.45Å; G811-V839 PolarHBondContact O-N 3.43Å; G811-G840 WeakPolarHBondContact CA-O 3.42Å; G811-G840 VanDerWaalsContact O-CA 3.32Å; G811-G840 WeakPolarHBondContact O-CA 3.34Å; G811-G840 PolarHBondContact O-N 2.92Å | ||
| 812 | L | 92 | Very high | 88.1 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | trans | -63.2 | 131.2 | 176.9 | -75.6 | 169.3 | 0 | 0 | 0 | 110.5 | I784 N808 F810 L836 N837 T838 L851 Y868 M872 L873 | I784-L812 HydrophobicContact CD1-CD2 4.46Å; N808-L812 PolarHBondContact ND2-O 2.92Å; N808-L812 PolarHBondContact OD1-N 2.87Å; F810-L812 VanDerWaalsContact C-N 3.28Å; F810-L812 PolarHBondContact O-N 3.32Å; L812-L836 HydrophobicContact CD2-CB 4.45Å; L812-L836 HydrophobicContact CD2-CD1 4.28Å; L812-N837 WeakPolarHBondContact CA-O 3.37Å; L812-T838 HydrophobicContact CD2-CG2 3.77Å; L812-L851 HydrophobicContact CB-CD1 4.35Å; L812-Y868 HydrophobicContact CD1-CD1 3.92Å; L812-Y868 HydrophobicContact CD1-CD2 4.05Å; L812-Y868 HydrophobicContact CD1-CE1 3.56Å; L812-Y868 HydrophobicContact CD1-CE2 3.68Å; L812-Y868 HydrophobicContact CD1-CG 4.15Å; L812-Y868 VanDerWaalsContact CD1-CZ 3.42Å; L812-M872 HydrophobicContact CD1-CE 3.6Å; L812-M872 HydrophobicContact CD2-CE 4.06Å; L812-L873 HydrophobicContact CD2-CD2 4.17Å | ||
| 813 | A | 91.5 | Very high | 87.9 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 152.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | G811 A815 L836 N837 | G811-A813 PolarHBondContact O-N 2.89Å; A813-A815 PolarHBondContact O-N 2.83Å; A813-L836 WeakPolarHBondContact O-CA 3.5Å; A813-N837 PolarHBondContact N-O 3.42Å; A813-N837 PolarHBondContact O-N 2.86Å; A813-N837 PolarHBondContact O-ND2 3.14Å |
| 814 | P | 92.3 | Very high | 87.7 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 21% | 0.214 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 133.3 | 168.4 | -22.6 | 34.8 | 0 | 0 | 0 | 110.8 | I803 F805 G816 L834 N837 | I803-P814 HydrophobicContact CG2-CG 4.18Å; F805-P814 HydrophobicContact CD1-CG 4.14Å; F805-P814 HydrophobicContact CD2-CG 4.3Å; F805-P814 HydrophobicContact CE1-CG 4.11Å; F805-P814 HydrophobicContact CE2-CG 4.27Å; F805-P814 HydrophobicContact CG-CG 4.23Å; F805-P814 HydrophobicContact CZ-CG 4.16Å; P814-G816 VanDerWaalsContact C-N 3.27Å; P814-G816 WeakPolarHBondContact CB-O 3.49Å; P814-L834 HydrophobicContact CB-CD1 4.34Å; P814-L834 HydrophobicContact CB-CD2 4.16Å; P814-L834 HydrophobicContact CB-CG 4.47Å; P814-L834 HydrophobicContact CG-CD2 4.27Å; P814-N837 PolarHBondContact O-ND2 3.43Å |
| 815 | A | 88.3 | Confident | 87.6 | Confident | 63 Ų | 63 | 49.2 Ų | 49.2 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -85.1 | -0.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | A813 P835 N837 | A813-A815 PolarHBondContact O-N 2.83Å; A815-P835 HydrophobicContact CB-CB 4.33Å; A815-P835 WeakPolarHBondContact CB-O 3.38Å; A815-P835 PolarHBondContact N-O 2.9Å; A815-N837 HydrophobicContact CB-CB 4.4Å |
| 816 | G | 86.1 | Confident | 87.3 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -171.7 | 177 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P814 | P814-G816 VanDerWaalsContact C-N 3.27Å; P814-G816 WeakPolarHBondContact CB-O 3.49Å |
| 817 | P | 85 | Confident | 87.1 | Confident | 104 Ų | 104 | 53.8 Ų | 53.8 | 68% | 0.675 | 31% | 0.313 | S | S | * | . | trans | -69.9 | 156.2 | 176.5 | 30.6 | -35.7 | 0 | 0 | 0 | 112.2 | Q819 | P817-Q819 PolarHBondContact O-N 2.83Š| ||
| 818 | L | 87.6 | Confident | 87.2 | Confident | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | trans | -73 | 109.9 | 177.8 | -171.1 | 65.4 | 0 | 0 | 0 | 110.8 | M788 L790 F801 I803 V820 V832 L834 | M788-L818 HydrophobicContact CE-CD1 3.63Å; L790-L818 HydrophobicContact CD1-CD2 4.49Å; F801-L818 HydrophobicContact CB-CD2 4.27Å; I803-L818 HydrophobicContact CB-CB 4.25Å; I803-L818 HydrophobicContact CB-CD2 4.22Å; I803-L818 HydrophobicContact CG2-CB 3.83Å; L818-V820 HydrophobicContact CD2-CG2 4.19Å; L818-V820 HydrophobicContact CG-CG2 4.05Å; L818-V820 PolarHBondContact O-N 2.8Å; L818-V832 HydrophobicContact CD1-CB 4.49Å; L818-V832 HydrophobicContact CD1-CG1 3.6Å; L818-V832 HydrophobicContact CG-CG1 4.28Å; L818-L834 HydrophobicContact CD1-CB 4.36Å; L818-L834 HydrophobicContact CD1-CD1 4.28Å | ||
| 819 | Q | 80.8 | Confident | 87.2 | Confident | 137 Ų | 137 | 53 Ų | 53 | 64% | 0.64 | 32% | 0.322 | S | S | * | . | trans | -85.3 | 74.8 | -173.6 | -62.8 | -170.2 | 6.8 | 0 | 0 | 112.9 | P817 L821 | P817-Q819 PolarHBondContact O-N 2.83Å; Q819-L821 HydrophobicContact CB-CD2 4.47Å; Q819-L821 PolarHBondContact O-N 3.41Å | ||
| 820 | V | 84.1 | Confident | 87.4 | Confident | 28 Ų | 28 | 54 Ų | 54 | 17% | 0.17 | 33% | 0.326 | C | S | . | . | trans | -87.2 | 86.8 | 168.9 | -168.6 | 0 | 0 | 0 | 0 | 109.3 | L790 F801 L818 T822 I830 V832 | L790-V820 HydrophobicContact CD1-CG2 3.82Å; F801-V820 HydrophobicContact CB-CB 3.94Å; F801-V820 HydrophobicContact CB-CG2 3.47Å; F801-V820 VanDerWaalsContact CB-CG2 3.47Å; F801-V820 HydrophobicContact CD1-CG2 4.46Å; F801-V820 HydrophobicContact CD2-CB 3.86Å; F801-V820 HydrophobicContact CD2-CG1 3.69Å; F801-V820 HydrophobicContact CD2-CG2 3.92Å; F801-V820 HydrophobicContact CE2-CG1 4.09Å; F801-V820 HydrophobicContact CG-CB 4.14Å; F801-V820 HydrophobicContact CG-CG1 4.36Å; F801-V820 HydrophobicContact CG-CG2 3.72Å; L818-V820 HydrophobicContact CD2-CG2 4.19Å; L818-V820 HydrophobicContact CG-CG2 4.05Å; L818-V820 PolarHBondContact O-N 2.8Å; V820-T822 VanDerWaalsContact C-N 3.26Å; V820-T822 PolarHBondContact O-N 2.84Å; V820-I830 HydrophobicContact CG1-CD1 4.39Å; V820-I830 HydrophobicContact CG1-CG2 4.39Å; V820-V832 HydrophobicContact CG2-CG2 4.27Å | ||
| 821 | L | 73 | Confident | 87.6 | Confident | 148 Ų | 148 | 59.8 Ų | 59.8 | 78% | 0.775 | 35% | 0.354 | S | S | * | . | trans | -71 | -13.6 | -170.3 | -62.1 | 177.2 | 0 | 0 | 0 | 115.1 | Q819 | Q819-L821 HydrophobicContact CB-CD2 4.47Å; Q819-L821 PolarHBondContact O-N 3.41Å | ||
| 822 | T | 79.9 | Confident | 87.6 | Confident | 67 Ų | 67 | 60.2 Ų | 60.2 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -131.2 | 134.9 | -178.8 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | V820 L824 | V820-T822 VanDerWaalsContact C-N 3.26Å; V820-T822 PolarHBondContact O-N 2.84Å; T822-L824 PolarHBondContact O-N 2.88Å |
| 823 | P | 85.1 | Confident | 87.6 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 49% | 0.494 | 38% | 0.378 | S | S | . | . | trans | -50.6 | 131.7 | 168.7 | -28.3 | 36.6 | 0 | 0 | 0 | 112 | V797 T799 S825 | V797-P823 HydrophobicContact CG1-CB 3.69Å; T799-P823 HydrophobicContact CG2-CB 3.75Å; T799-P823 HydrophobicContact CG2-CG 3.99Å; P823-S825 PolarHBondContact O-N 2.86Å | ||
| 824 | L | 89.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -91.9 | 105.6 | -174.3 | -167.1 | 64.7 | 0 | 0 | 0 | 109.6 | L790 N792 M798 F801 T822 Q828 I830 | L790-L824 HydrophobicContact CB-CD2 4.11Å; N792-L824 HydrophobicContact CB-CB 4.49Å; N792-L824 HydrophobicContact CB-CD2 3.8Å; N792-L824 HydrophobicContact CB-CG 3.75Å; N792-L824 PolarHBondContact ND2-O 3.08Å; M798-L824 HydrophobicContact CB-CB 4.34Å; M798-L824 PolarHBondContact N-O 3.08Å; M798-L824 PolarHBondContact O-N 2.85Å; F801-L824 HydrophobicContact CE2-CB 4.17Å; F801-L824 HydrophobicContact CZ-CB 4.42Å; F801-L824 HydrophobicContact CZ-CD2 4.2Å; T822-L824 PolarHBondContact O-N 2.88Å; L824-Q828 HydrophobicContact CD1-CB 3.86Å; L824-Q828 HydrophobicContact CD1-CG 3.82Å; L824-Q828 HydrophobicContact CG-CB 4.45Å; L824-I830 HydrophobicContact CD1-CB 3.98Å; L824-I830 HydrophobicContact CD1-CG2 3.68Å; L824-I830 HydrophobicContact CD2-CG2 4.22Å |
| 825 | S | 89.8 | Confident | 87.6 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 36% | 0.357 | 38% | 0.378 | S | S | . | . | trans | -73.9 | 161 | -176.1 | -55.2 | 0 | 0 | 0 | 0 | 112.5 | N792 P823 N827 Q828 | N792-S825 PolarHBondContact ND2-O 3.03Å; P823-S825 PolarHBondContact O-N 2.86Å; S825-N827 PolarHBondContact O-N 3.26Å; S825-Q828 VanDerWaalsContact CB-OE1 3.27Å; S825-Q828 WeakPolarHBondContact O-CB 3.39Å; S825-Q828 PolarHBondContact O-N 2.87Å; S825-Q828 PolarHBondContact OG-OE1 2.94Å | ||
| 826 | P | 89 | Confident | 87.8 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 31% | 0.312 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 131.1 | 171.3 | -32.2 | 38.7 | 0 | 0 | 0 | 113.3 | A794 Q828 | A794-P826 VanDerWaalsContact O-CB 3.27Å; A794-P826 WeakPolarHBondContact O-CB 3.4Å; P826-Q828 PolarHBondContact O-N 3.36Å |
| 827 | N | 88.9 | Confident | 88 | Confident | 129 Ų | 129 | 62.3 Ų | 62.3 | 69% | 0.69 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 10.5 | -173.5 | -56.1 | -61.5 | 0 | 0 | 0 | 116.1 | N792 S825 | N792-N827 WeakPolarHBondContact O-CA 3.37Å; N792-N827 PolarHBondContact O-N 2.77Å; S825-N827 PolarHBondContact O-N 3.26Å |
| 828 | Q | 91.7 | Very high | 88.1 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 34% | 0.341 | 33% | 0.334 | S | S | . | . | trans | -85.4 | 145.5 | 174.5 | -164.9 | -180 | -4.5 | 0 | 0 | 111.3 | N792 L824 S825 P826 | N792-Q828 PolarHBondContact N-O 2.96Å; L824-Q828 HydrophobicContact CD1-CB 3.86Å; L824-Q828 HydrophobicContact CD1-CG 3.82Å; L824-Q828 HydrophobicContact CG-CB 4.45Å; S825-Q828 VanDerWaalsContact CB-OE1 3.27Å; S825-Q828 WeakPolarHBondContact O-CB 3.39Å; S825-Q828 PolarHBondContact O-N 2.87Å; S825-Q828 PolarHBondContact OG-OE1 2.94Å; P826-Q828 PolarHBondContact O-N 3.36Å | ||
| 829 | S | 92 | Very high | 88.1 | Confident | 65 Ų | 65 | 65.3 Ų | 65.3 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.5 | 169.8 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | L790 T791 | L790-S829 CarbonylContact O-C 3.47Å; L790-S829 VanDerWaalsContact O-CA 3.29Å; L790-S829 WeakPolarHBondContact O-CA 3.44Å; T791-S829 WeakPolarHBondContact CB-OG 3.46Å; T791-S829 VanDerWaalsContact CG2-OG 3.29Å; T791-S829 WeakPolarHBondContact CG2-OG 3.45Å; T791-S829 WeakPolarHBondContact OG1-CB 3.44Å; T791-S829 PolarHBondContact OG1-OG 3.48Å |
| 830 | I | 92 | Very high | 88.2 | Confident | 35 Ų | 35 | 59.5 Ų | 59.5 | 18% | 0.179 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 137.2 | 173.6 | -171.5 | 167.2 | 0 | 0 | 0 | 110.7 | T789 L790 V820 L824 V832 | T789-I830 CarbonylContact C-O 3.53Å; T789-I830 WeakPolarHBondContact CA-O 3.14Å; L790-I830 HydrophobicContact CB-CG2 3.98Å; L790-I830 HydrophobicContact CD1-CG2 4.46Å; L790-I830 PolarHBondContact N-O 2.95Å; L790-I830 PolarHBondContact O-N 3.47Å; V820-I830 HydrophobicContact CG1-CD1 4.39Å; V820-I830 HydrophobicContact CG1-CG2 4.39Å; L824-I830 HydrophobicContact CD1-CB 3.98Å; L824-I830 HydrophobicContact CD1-CG2 3.68Å; L824-I830 HydrophobicContact CD2-CG2 4.22Å; I830-V832 HydrophobicContact CG1-CG2 4.27Å; I830-V832 HydrophobicContact CG2-CG2 4.11Å |
| 831 | E | 90.9 | Very high | 88 | Confident | 132 Ų | 132 | 62 Ų | 62 | 62% | 0.617 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134 | 173.2 | -55.4 | -120.6 | 133 | 0 | 0 | 109.6 | K759 M788 T789 | K759-E831 IonicContact NZ-OE1 3.25Å; K759-E831 PolarHBondContact NZ-OE1 2.98Å; K759-E831 IonicContact NZ-OE2 3.33Å; K759-E831 PolarHBondContact NZ-OE2 3.14Å; M788-E831 CarbonylContact O-C 3.58Å; M788-E831 WeakPolarHBondContact O-CA 3.43Å; T789-E831 HydrophobicContact CG2-CG 4.35Å; T789-E831 PolarHBondContact OG1-OE1 2.87Å |
| 832 | V | 90.9 | Very high | 88.6 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 122.7 | -175 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | M788 L790 L818 V820 I830 | M788-V832 PolarHBondContact N-O 3.24Å; M788-V832 PolarHBondContact O-N 3.26Å; L790-V832 HydrophobicContact CD1-CG2 4.03Å; L790-V832 HydrophobicContact CG-CG2 4.4Å; L818-V832 HydrophobicContact CD1-CB 4.49Å; L818-V832 HydrophobicContact CD1-CG1 3.6Å; L818-V832 HydrophobicContact CG-CG1 4.28Å; V820-V832 HydrophobicContact CG2-CG2 4.27Å; I830-V832 HydrophobicContact CG1-CG2 4.27Å; I830-V832 HydrophobicContact CG2-CG2 4.11Å |
| 833 | T | 91.1 | Very high | 89 | Confident | 75 Ų | 75 | 60.4 Ų | 60.4 | 46% | 0.46 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.6 | 177.2 | -55.2 | 0 | 0 | 0 | 0 | 110.2 | Q785 E787 | Q785-T833 HydrophobicContact CB-CG2 3.84Å; Q785-T833 HydrophobicContact CG-CG2 4.06Å; E787-T833 HydrophobicContact CG-CG2 4.11Å |
| 834 | L | 92 | Very high | 89 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 112.1 | 179.7 | -178.2 | 72.1 | 0 | 0 | 0 | 110.4 | Q785 M786 M788 I803 F805 P814 L818 L836 | Q785-L834 WeakPolarHBondContact CA-O 3.46Å; M786-L834 HydrophobicContact CB-CB 4.33Å; M786-L834 PolarHBondContact N-O 3.04Å; M786-L834 PolarHBondContact O-N 2.79Å; M786-L834 HydrophobicContact SD-CD2 4.18Å; M788-L834 HydrophobicContact CE-CB 3.87Å; M788-L834 HydrophobicContact CE-CD2 4.15Å; I803-L834 HydrophobicContact CD1-CD2 3.91Å; I803-L834 HydrophobicContact CG2-CD1 4.33Å; I803-L834 HydrophobicContact CG2-CD2 3.7Å; F805-L834 HydrophobicContact CE1-CD2 4.44Å; F805-L834 HydrophobicContact CZ-CD2 4.2Å; P814-L834 HydrophobicContact CB-CD1 4.34Å; P814-L834 HydrophobicContact CB-CD2 4.16Å; P814-L834 HydrophobicContact CB-CG 4.47Å; P814-L834 HydrophobicContact CG-CD2 4.27Å; L818-L834 HydrophobicContact CD1-CB 4.36Å; L818-L834 HydrophobicContact CD1-CD1 4.28Å; L834-L836 HydrophobicContact CD2-CD2 4Å; L834-L836 HydrophobicContact CG-CD2 4.08Å |
| 835 | P | 91.5 | Very high | 88.8 | Confident | 56 Ų | 56 | 63.9 Ų | 63.9 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 137.7 | 172.6 | -20 | 33.4 | 0 | 0 | 0 | 111.5 | V783 A815 | V783-P835 HydrophobicContact CG1-CB 4.19Å; A815-P835 HydrophobicContact CB-CB 4.33Å; A815-P835 WeakPolarHBondContact CB-O 3.38Å; A815-P835 PolarHBondContact N-O 2.9Å |
| 836 | L | 93 | Very high | 88.3 | Confident | 10 Ų | 10 | 68.5 Ų | 68.5 | 5% | 0.052 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 151.7 | -179.4 | -53.8 | -171.6 | 0 | 0 | 0 | 111.7 | F777 I784 M786 F805 L812 A813 L834 | F777-L836 HydrophobicContact CD1-CD1 4.31Å; F777-L836 HydrophobicContact CE1-CD1 4.17Å; I784-L836 HydrophobicContact CB-CB 4.22Å; I784-L836 HydrophobicContact CG2-CB 3.97Å; I784-L836 HydrophobicContact CG2-CD1 4.08Å; I784-L836 HydrophobicContact CG2-CG 4.35Å; I784-L836 PolarHBondContact O-N 3.11Å; M786-L836 HydrophobicContact CB-CD1 4.16Å; M786-L836 HydrophobicContact CB-CD2 4.31Å; M786-L836 HydrophobicContact CB-CG 4.32Å; F805-L836 HydrophobicContact CE2-CD1 3.97Å; F805-L836 HydrophobicContact CE2-CD2 3.56Å; F805-L836 HydrophobicContact CE2-CG 4.39Å; F805-L836 HydrophobicContact CZ-CD1 4.34Å; F805-L836 HydrophobicContact CZ-CD2 3.62Å; L812-L836 HydrophobicContact CD2-CB 4.45Å; L812-L836 HydrophobicContact CD2-CD1 4.28Å; A813-L836 WeakPolarHBondContact O-CA 3.5Å; L834-L836 HydrophobicContact CD2-CD2 4Å; L834-L836 HydrophobicContact CG-CD2 4.08Å |
| 837 | N | 89.9 | Confident | 88.1 | Confident | 48 Ų | 48 | 68.9 Ų | 68.9 | 26% | 0.257 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 169 | 167.1 | 72.5 | 75.3 | 0 | 0 | 0 | 110.5 | L812 A813 P814 A815 V839 | L812-N837 WeakPolarHBondContact CA-O 3.37Å; A813-N837 PolarHBondContact N-O 3.42Å; A813-N837 PolarHBondContact O-N 2.86Å; A813-N837 PolarHBondContact O-ND2 3.14Å; P814-N837 PolarHBondContact O-ND2 3.43Å; A815-N837 HydrophobicContact CB-CB 4.4Å; N837-V839 HydrophobicContact CB-CG2 4.42Å; N837-V839 PolarHBondContact OD1-N 3.44Å |
| 838 | T | 88.1 | Confident | 88 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 29% | 0.288 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -116.5 | 38.8 | 177.8 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | I784 G811 L812 L873 | I784-T838 HydrophobicContact CD1-CG2 4Å; G811-T838 CarbonylContact O-C 3.57Å; G811-T838 VanDerWaalsContact O-CA 3.27Å; G811-T838 WeakPolarHBondContact O-CA 3.45Å; L812-T838 HydrophobicContact CD2-CG2 3.77Å; T838-L873 HydrophobicContact CG2-CD2 4.11Å |
| 839 | V | 85.8 | Confident | 87.9 | Confident | 132 Ų | 132 | 61 Ų | 61 | 80% | 0.8 | 35% | 0.345 | S | S | * | . | trans | -117.9 | 8.3 | -176.9 | -157.5 | 0 | 0 | 0 | 0 | 111.3 | G811 N837 | G811-V839 PolarHBondContact O-N 3.43Å; N837-V839 HydrophobicContact CB-CG2 4.42Å; N837-V839 PolarHBondContact OD1-N 3.44Å | ||
| 840 | G | 84.4 | Confident | 87.9 | Confident | 14 Ų | 14 | 59 Ų | 59 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -74.5 | 169.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | G811 V842 | G811-G840 WeakPolarHBondContact CA-O 3.42Å; G811-G840 VanDerWaalsContact O-CA 3.32Å; G811-G840 WeakPolarHBondContact O-CA 3.34Å; G811-G840 PolarHBondContact O-N 2.92Å; G840-V842 PolarHBondContact O-N 3Å |
| 841 | P | 78.8 | Confident | 88 | Confident | 81 Ų | 81 | 57.4 Ų | 57.4 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 126.2 | -178.8 | 27.6 | -35.2 | 0 | 0 | 0 | 111.7 | R807 N808 | R807-P841 VanDerWaalsContact CA-O 3.32Å; R807-P841 WeakPolarHBondContact CA-O 3.41Å; R807-P841 WeakPolarHBondContact CB-O 3.42Å; R807-P841 HydrophobicContact CG-CB 4.01Å; R807-P841 HydrophobicContact CG-CG 4Å; N808-P841 PolarHBondContact N-O 3.01Å |
| 842 | V | 86.9 | Confident | 88.1 | Confident | 97 Ų | 97 | 54.5 Ų | 54.5 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | B | Isolated β-bridge | trans | -85 | 140.5 | -177.5 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | N808 G840 | N808-V842 WeakPolarHBondContact O-CA 3.37Å; G840-V842 PolarHBondContact O-N 3Å |
| 843 | M | 87.1 | Confident | 88.3 | Confident | 85 Ų | 85 | 54.1 Ų | 54.1 | 42% | 0.419 | 31% | 0.305 | S | S | . | . | trans | -151.8 | 129.9 | 166.4 | -176 | 175.4 | 81.6 | 0 | 0 | 108.1 | R807 N808 S809 M845 | R807-M843 HydrophobicContact CB-CB 3.4Å; R807-M843 VanDerWaalsContact CB-CB 3.4Å; R807-M843 HydrophobicContact CB-CE 4.4Å; R807-M843 HydrophobicContact CB-CG 4.44Å; R807-M843 HydrophobicContact CB-SD 4.26Å; R807-M843 HydrophobicContact CG-CB 4.48Å; N808-M843 CarbonylContact C-O 3.59Å; N808-M843 VanDerWaalsContact CA-O 3.31Å; N808-M843 WeakPolarHBondContact CA-O 3.5Å; N808-M843 PolarHBondContact O-N 3.47Å; N808-M843 VanDerWaalsContact O-N 3.12Å; S809-M843 VanDerWaalsContact CA-O 3.29Å; S809-M843 WeakPolarHBondContact CA-O 3.18Å; S809-M843 PolarHBondContact N-O 2.84Å; M843-M845 HydrophobicContact CE-SD 3.6Å; M843-M845 VanDerWaalsContact CE-SD 3.6Å; M843-M845 PolarHBondContact O-N 3.41Å | ||
| 844 | K | 85.4 | Confident | 88.4 | Confident | 129 Ų | 129 | 51 Ų | 51 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | trans | -64.1 | 121.8 | 179.2 | 179.3 | 176.6 | 168.8 | 178.9 | 0 | 109.5 | L848 E970 | K844-L848 HydrophobicContact CG-CD2 3.96Å; K844-E970 WeakPolarHBondContact CE-OE2 3.36Å; K844-E970 IonicContact NZ-OE1 3.13Å; K844-E970 PolarHBondContact NZ-OE1 2.73Å; K844-E970 IonicContact NZ-OE2 3.24Å; K844-E970 PolarHBondContact NZ-OE2 3.2Å | ||
| 845 | M | 84.8 | Confident | 88.5 | Confident | 20 Ų | 20 | 50.8 Ų | 50.8 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | trans | -100 | 157.9 | 172.2 | -58.4 | -59.9 | -64.8 | 0 | 0 | 110.2 | N808 S809 M843 P847 L848 Q852 | N808-M845 HydrophobicContact CB-CG 4.3Å; S809-M845 WeakPolarHBondContact OG-CB 3.32Å; S809-M845 PolarHBondContact OG-N 3.12Å; M843-M845 HydrophobicContact CE-SD 3.6Å; M843-M845 VanDerWaalsContact CE-SD 3.6Å; M843-M845 PolarHBondContact O-N 3.41Å; M845-P847 CarbonylContact C-O 3.57Å; M845-P847 CarbonylContact O-C 3.57Å; M845-L848 WeakPolarHBondContact O-CA 3.44Å; M845-L848 PolarHBondContact O-N 3.25Å; M845-Q852 HydrophobicContact CE-CG 4.34Å | ||
| 846 | D | 81.1 | Confident | 88.5 | Confident | 148 Ų | 148 | 53.6 Ų | 53.6 | 79% | 0.791 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -124.1 | 122.2 | 164.6 | -162.3 | -1.8 | 0 | 0 | 0 | 108.9 | ||
| 847 | P | 83.8 | Confident | 88.4 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | S | Bend | cis | -60 | 153.3 | -12 | -24.5 | 36.4 | 0 | 0 | 0 | 113.6 | M845 N849 N850 | M845-P847 CarbonylContact C-O 3.57Å; M845-P847 CarbonylContact O-C 3.57Å; P847-N849 PolarHBondContact O-N 3.24Å; P847-N849 VanDerWaalsContact O-N 3.09Å; P847-N850 VanDerWaalsContact O-CB 3.23Å; P847-N850 WeakPolarHBondContact O-CB 3.32Å; P847-N850 PolarHBondContact O-N 3.32Å |
| 848 | L | 86.3 | Confident | 88.4 | Confident | 21 Ų | 21 | 54.5 Ų | 54.5 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -31.9 | -176.7 | -76.6 | 176 | 0 | 0 | 0 | 114.3 | S809 F810 K844 M845 E970 V971 | S809-L848 WeakPolarHBondContact CB-O 3.4Å; S809-L848 PolarHBondContact OG-O 3.41Å; F810-L848 HydrophobicContact CE2-CB 4.28Å; K844-L848 HydrophobicContact CG-CD2 3.96Å; M845-L848 WeakPolarHBondContact O-CA 3.44Å; M845-L848 PolarHBondContact O-N 3.25Å; L848-E970 HydrophobicContact CD1-CB 3.93Å; L848-E970 WeakPolarHBondContact CD1-O 3.38Å; L848-V971 HydrophobicContact CD1-CG2 4.41Å |
| 849 | N | 89.6 | Confident | 88.4 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 13.2 | -178.9 | 73.9 | -38.6 | 0 | 0 | 0 | 114.1 | P847 Q867 Y868 | P847-N849 PolarHBondContact O-N 3.24Å; P847-N849 VanDerWaalsContact O-N 3.09Å; N849-Q867 WeakPolarHBondContact O-CA 3.35Å; N849-Y868 HydrophobicContact CB-CE2 4.33Å; N849-Y868 WeakPolarHBondContact CB-O 3.5Å; N849-Y868 PolarHBondContact ND2-O 3.27Å; N849-Y868 WeakPolarHBondContact O-CD1 3.37Å; N849-Y868 WeakPolarHBondContact O-CE1 3.39Å; N849-Y868 PolarHBondContact O-N 3.46Å; N849-Y868 VanDerWaalsContact O-N 3.13Å |
| 850 | N | 92.4 | Very high | 88.5 | Confident | 25 Ų | 25 | 52 Ų | 52 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 136.5 | 173.7 | -169.2 | 17.8 | 0 | 0 | 0 | 110.9 | P847 S865 | P847-N850 VanDerWaalsContact O-CB 3.23Å; P847-N850 WeakPolarHBondContact O-CB 3.32Å; P847-N850 PolarHBondContact O-N 3.32Å; N850-S865 PolarHBondContact ND2-OG 3.17Å; N850-S865 PolarHBondContact OD1-OG 3.12Å |
| 851 | L | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 118 | 176.8 | -175.7 | 68.9 | 0 | 0 | 0 | 109.7 | F777 F805 N808 L812 V853 S865 C866 Y868 | F777-L851 HydrophobicContact CE1-CD2 4.2Å; F777-L851 HydrophobicContact CZ-CD2 4.01Å; F805-L851 HydrophobicContact CB-CD1 4.27Å; F805-L851 HydrophobicContact CD2-CD1 3.89Å; F805-L851 HydrophobicContact CD2-CD2 4Å; F805-L851 HydrophobicContact CD2-CG 4.41Å; F805-L851 HydrophobicContact CE1-CD2 4.43Å; F805-L851 HydrophobicContact CE2-CD1 4.49Å; F805-L851 HydrophobicContact CE2-CD2 3.8Å; F805-L851 HydrophobicContact CG-CD1 4.16Å; F805-L851 HydrophobicContact CG-CD2 4.42Å; F805-L851 HydrophobicContact CZ-CD2 4.05Å; N808-L851 HydrophobicContact CB-CD1 4.12Å; L812-L851 HydrophobicContact CB-CD1 4.35Å; L851-V853 HydrophobicContact CD2-CG2 3.89Å; L851-V853 HydrophobicContact CG-CG2 3.82Å; L851-S865 WeakPolarHBondContact O-CA 3.27Å; L851-C866 WeakPolarHBondContact CB-O 3.15Å; L851-C866 PolarHBondContact N-O 3.48Å; L851-C866 PolarHBondContact O-N 3.36Å; L851-Y868 HydrophobicContact CB-CD1 3.89Å; L851-Y868 HydrophobicContact CB-CE1 3.94Å |
| 852 | Q | 93.7 | Very high | 89.5 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 129.7 | 171 | -70.6 | 175.2 | -5.2 | 0 | 0 | 110.1 | N806 M845 | N806-Q852 HydrophobicContact CB-CB 3.99Å; N806-Q852 PolarHBondContact N-O 3.31Å; N806-Q852 PolarHBondContact ND2-OE1 2.85Å; M845-Q852 HydrophobicContact CE-CG 4.34Å |
| 853 | V | 95 | Very high | 89.8 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.2 | -171.4 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | M786 I803 F805 L851 V855 Y863 F864 | M786-V853 HydrophobicContact CE-CG1 4.39Å; M786-V853 HydrophobicContact CE-CG2 4.2Å; I803-V853 HydrophobicContact CD1-CG1 3.78Å; I803-V853 HydrophobicContact CG1-CG1 3.78Å; F805-V853 HydrophobicContact CD1-CB 4.3Å; F805-V853 HydrophobicContact CD1-CG1 3.93Å; F805-V853 HydrophobicContact CD1-CG2 3.82Å; F805-V853 HydrophobicContact CE1-CG1 3.91Å; F805-V853 HydrophobicContact CE1-CG2 3.9Å; L851-V853 HydrophobicContact CD2-CG2 3.89Å; L851-V853 HydrophobicContact CG-CG2 3.82Å; V853-V855 HydrophobicContact CG1-CG2 4.26Å; V853-Y863 WeakPolarHBondContact O-CA 3.44Å; V853-F864 HydrophobicContact CB-CD1 4.41Å; V853-F864 HydrophobicContact CB-CD2 4.09Å; V853-F864 HydrophobicContact CB-CE1 4.03Å; V853-F864 HydrophobicContact CB-CE2 3.69Å; V853-F864 HydrophobicContact CB-CG 4.45Å; V853-F864 HydrophobicContact CB-CZ 3.67Å; V853-F864 HydrophobicContact CG1-CE1 3.75Å; V853-F864 HydrophobicContact CG1-CE2 4.01Å; V853-F864 HydrophobicContact CG1-CZ 3.46Å; V853-F864 VanDerWaalsContact CG1-CZ 3.46Å; V853-F864 HydrophobicContact CG2-CE2 3.98Å; V853-F864 HydrophobicContact CG2-CZ 4.28Å; V853-F864 PolarHBondContact N-O 3.36Å; V853-F864 PolarHBondContact O-N 3.25Å |
| 854 | A | 94.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | I803 Q804 V861 F862 Y863 | I803-A854 WeakPolarHBondContact CA-O 3.38Å; Q804-A854 PolarHBondContact N-O 2.82Å; Q804-A854 PolarHBondContact O-N 2.89Å; A854-V861 HydrophobicContact CB-CG1 4.21Å; A854-F862 CarbonylContact C-O 3.51Å; A854-F862 WeakPolarHBondContact CA-O 3.39Å; A854-Y863 HydrophobicContact CB-CD1 3.67Å; A854-Y863 HydrophobicContact CB-CE1 3.55Å |
| 855 | V | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 117.5 | 169.8 | 170.3 | 0 | 0 | 0 | 0 | 108.8 | L771 I773 F801 A802 I803 V853 F862 F864 | L771-V855 HydrophobicContact CD2-CG1 4.4Å; I773-V855 HydrophobicContact CD1-CB 4.04Å; I773-V855 HydrophobicContact CD1-CG1 4.16Å; I773-V855 HydrophobicContact CD1-CG2 4.02Å; F801-V855 HydrophobicContact CD1-CG1 4.24Å; A802-V855 CarbonylContact O-C 3.59Å; A802-V855 WeakPolarHBondContact O-CA 3.31Å; I803-V855 HydrophobicContact CB-CG2 4.32Å; I803-V855 HydrophobicContact CD1-CG2 3.75Å; I803-V855 HydrophobicContact CG1-CG2 3.73Å; V853-V855 HydrophobicContact CG1-CG2 4.26Å; V855-F862 PolarHBondContact N-O 2.96Å; V855-F862 PolarHBondContact O-N 3.31Å; V855-F864 HydrophobicContact CB-CE1 4.45Å; V855-F864 HydrophobicContact CG2-CE1 3.81Å; V855-F864 HydrophobicContact CG2-CZ 4.41Å |
| 856 | K | 92.1 | Very high | 90.8 | Very high | 115 Ų | 115 | 46.1 Ų | 46.1 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 147.2 | 171.9 | 177.6 | 173.1 | 179.2 | -179.3 | 0 | 110 | F801 A802 D860 V861 | F801-K856 CarbonylContact C-O 3.58Å; F801-K856 VanDerWaalsContact CA-O 3.26Å; F801-K856 WeakPolarHBondContact CA-O 3.45Å; A802-K856 HydrophobicContact CB-CB 4.43Å; A802-K856 PolarHBondContact N-O 3.12Å; A802-K856 PolarHBondContact O-N 2.83Å; K856-D860 WeakPolarHBondContact CA-O 3.37Å; K856-V861 HydrophobicContact CB-CG1 4.49Å; K856-V861 HydrophobicContact CB-CG2 4.05Å; K856-V861 HydrophobicContact CD-CG2 4.11Å; K856-V861 HydrophobicContact CG-CG2 3.98Å |
| 857 | N | 90.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | trans | -136 | -165.3 | 158.6 | 69.5 | 6.9 | 0 | 0 | 0 | 110.3 | T799 F801 I859 D860 | T799-N857 CarbonylContact O-C 3.45Å; T799-N857 WeakPolarHBondContact O-CA 3.29Å; T799-N857 WeakPolarHBondContact O-CB 3.09Å; F801-N857 HydrophobicContact CD1-CB 3.92Å; F801-N857 HydrophobicContact CE1-CB 3.9Å; F801-N857 HydrophobicContact CG-CB 4.32Å; F801-N857 HydrophobicContact CZ-CB 4.28Å; N857-I859 PolarHBondContact O-N 3.37Å; N857-I859 WeakPolarHBondContact OD1-CA 3.48Å; N857-I859 WeakPolarHBondContact OD1-CB 3.49Å; N857-I859 PolarHBondContact OD1-N 3.4Å; N857-D860 PolarHBondContact N-O 2.91Å; N857-D860 PolarHBondContact OD1-N 3.39Å; N857-D860 PolarHBondContact OD1-O 3.36Å | ||
| 858 | N | 90 | Very high | 91.5 | Very high | 75 Ų | 75 | 42.2 Ų | 42.2 | 40% | 0.401 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -69.7 | -8.1 | 174.7 | 66.9 | -30 | 0 | 0 | 0 | 115.6 | V797 M798 T799 D800 | V797-N858 PolarHBondContact O-ND2 3.05Å; M798-N858 VanDerWaalsContact CA-OD1 3.3Å; M798-N858 WeakPolarHBondContact CA-OD1 3.41Å; T799-N858 VanDerWaalsContact N-CG 3.27Å; T799-N858 PolarHBondContact N-ND2 3.28Å; T799-N858 PolarHBondContact N-OD1 2.94Å; T799-N858 PolarHBondContact O-N 2.76Å; T799-N858 PolarHBondContact O-OD1 2.9Å; T799-N858 VanDerWaalsContact OG1-CB 3.31Å; T799-N858 WeakPolarHBondContact OG1-CB 3.12Å; T799-N858 VanDerWaalsContact OG1-CG 3.27Å; T799-N858 PolarHBondContact OG1-ND2 3.17Å; T799-N858 VanDerWaalsContact OG1-ND2 3.09Å; D800-N858 HydrophobicContact CB-CB 4.46Å |
| 859 | I | 86.8 | Confident | 91.5 | Very high | 64 Ų | 64 | 43 Ų | 43 | 33% | 0.328 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -99.1 | -50.7 | 178.3 | -54.8 | 178.7 | 0 | 0 | 0 | 110.6 | M798 N857 | M798-I859 HydrophobicContact CE-CD1 3.8Å; M798-I859 HydrophobicContact CG-CD1 3.81Å; N857-I859 PolarHBondContact O-N 3.37Å; N857-I859 WeakPolarHBondContact OD1-CA 3.48Å; N857-I859 WeakPolarHBondContact OD1-CB 3.49Å; N857-I859 PolarHBondContact OD1-N 3.4Å |
| 860 | D | 88.6 | Confident | 91.4 | Very high | 63 Ų | 63 | 42.4 Ų | 42.4 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | trans | -162.8 | -177.4 | -175.4 | -143.8 | -26.4 | 0 | 0 | 0 | 113.2 | K769 K856 N857 F862 | K769-D860 IonicContact NZ-OD2 2.66Å; K769-D860 PolarHBondContact NZ-OD2 3.4Å; K856-D860 WeakPolarHBondContact CA-O 3.37Å; N857-D860 PolarHBondContact N-O 2.91Å; N857-D860 PolarHBondContact OD1-N 3.39Å; N857-D860 PolarHBondContact OD1-O 3.36Å; D860-F862 HydrophobicContact CB-CE1 3.87Å; D860-F862 HydrophobicContact CB-CE2 4.08Å; D860-F862 HydrophobicContact CB-CZ 3.6Å | ||
| 861 | V | 90.9 | Very high | 91.1 | Very high | 49 Ų | 49 | 42.7 Ų | 42.7 | 30% | 0.297 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.8 | 164.8 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | A854 K856 Y863 | A854-V861 HydrophobicContact CB-CG1 4.21Å; K856-V861 HydrophobicContact CB-CG1 4.49Å; K856-V861 HydrophobicContact CB-CG2 4.05Å; K856-V861 HydrophobicContact CD-CG2 4.11Å; K856-V861 HydrophobicContact CG-CG2 3.98Å; V861-Y863 HydrophobicContact CB-CE2 4.22Å; V861-Y863 HydrophobicContact CG1-CE1 4.35Å; V861-Y863 HydrophobicContact CG1-CE2 3.82Å |
| 862 | F | 92.8 | Very high | 90.8 | Very high | 11 Ų | 11 | 43 Ų | 43 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.8 | -179.6 | -53.8 | -74 | 0 | 0 | 0 | 111 | L763 G768 K769 L771 A854 V855 D860 | L763-F862 HydrophobicContact CD2-CB 3.64Å; L763-F862 HydrophobicContact CD2-CG 4.08Å; G768-F862 VanDerWaalsContact O-CE1 3.23Å; G768-F862 WeakPolarHBondContact O-CE1 3.3Å; G768-F862 VanDerWaalsContact O-CZ 3.24Å; G768-F862 WeakPolarHBondContact O-CZ 3.23Å; K769-F862 HydrophobicContact CB-CE1 3.92Å; K769-F862 HydrophobicContact CB-CZ 4.11Å; K769-F862 HydrophobicContact CD-CE1 4.12Å; K769-F862 HydrophobicContact CG-CE1 3.99Å; L771-F862 HydrophobicContact CB-CE2 4.43Å; L771-F862 HydrophobicContact CD2-CD2 3.81Å; L771-F862 HydrophobicContact CD2-CE2 4.08Å; A854-F862 CarbonylContact C-O 3.51Å; A854-F862 WeakPolarHBondContact CA-O 3.39Å; V855-F862 PolarHBondContact N-O 2.96Å; V855-F862 PolarHBondContact O-N 3.31Å; D860-F862 HydrophobicContact CB-CE1 3.87Å; D860-F862 HydrophobicContact CB-CE2 4.08Å; D860-F862 HydrophobicContact CB-CZ 3.6Å |
| 863 | Y | 93.4 | Very high | 90.5 | Very high | 162 Ų | 162 | 39.6 Ų | 39.6 | 64% | 0.635 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 136.1 | 178.4 | -60.1 | -91.5 | 0 | 0 | 0 | 110.2 | V853 A854 V861 | V853-Y863 WeakPolarHBondContact O-CA 3.44Å; A854-Y863 HydrophobicContact CB-CD1 3.67Å; A854-Y863 HydrophobicContact CB-CE1 3.55Å; V861-Y863 HydrophobicContact CB-CE2 4.22Å; V861-Y863 HydrophobicContact CG1-CE1 4.35Å; V861-Y863 HydrophobicContact CG1-CE2 3.82Å |
| 864 | F | 93.8 | Very high | 90.2 | Very high | 18 Ų | 18 | 39.5 Ų | 39.5 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 163.6 | 171.7 | 63.2 | -92.2 | 0 | 0 | 0 | 111.2 | W762 L763 I773 M786 V853 V855 C866 | W762-F864 HydrophobicContact CB-CD2 3.62Å; W762-F864 HydrophobicContact CB-CE2 3.78Å; W762-F864 HydrophobicContact CB-CG 4.32Å; W762-F864 HydrophobicContact CD2-CE2 4.18Å; W762-F864 AromaticContact CE3-CE2 3.78Å; W762-F864 HydrophobicContact CE3-CE2 3.78Å; W762-F864 HydrophobicContact CE3-CZ 4.22Å; W762-F864 HydrophobicContact CG-CD2 4.39Å; W762-F864 HydrophobicContact CG-CE2 4.25Å; L763-F864 HydrophobicContact CB-CB 4.44Å; L763-F864 HydrophobicContact CB-CD1 4.31Å; I773-F864 HydrophobicContact CD1-CD1 4.21Å; I773-F864 HydrophobicContact CD1-CE1 3.63Å; I773-F864 HydrophobicContact CD1-CZ 4.39Å; I773-F864 HydrophobicContact CG2-CE1 4.46Å; I773-F864 HydrophobicContact CG2-CZ 4.27Å; M786-F864 HydrophobicContact CE-CE2 4.23Å; M786-F864 HydrophobicContact CE-CZ 4.13Å; V853-F864 HydrophobicContact CB-CD1 4.41Å; V853-F864 HydrophobicContact CB-CD2 4.09Å; V853-F864 HydrophobicContact CB-CE1 4.03Å; V853-F864 HydrophobicContact CB-CE2 3.69Å; V853-F864 HydrophobicContact CB-CG 4.45Å; V853-F864 HydrophobicContact CB-CZ 3.67Å; V853-F864 HydrophobicContact CG1-CE1 3.75Å; V853-F864 HydrophobicContact CG1-CE2 4.01Å; V853-F864 HydrophobicContact CG1-CZ 3.46Å; V853-F864 VanDerWaalsContact CG1-CZ 3.46Å; V853-F864 HydrophobicContact CG2-CE2 3.98Å; V853-F864 HydrophobicContact CG2-CZ 4.28Å; V853-F864 PolarHBondContact N-O 3.36Å; V853-F864 PolarHBondContact O-N 3.25Å; V855-F864 HydrophobicContact CB-CE1 4.45Å; V855-F864 HydrophobicContact CG2-CE1 3.81Å; V855-F864 HydrophobicContact CG2-CZ 4.41Å; F864-C866 HydrophobicContact CD2-CB 4.49Å |
| 865 | S | 92.3 | Very high | 89.9 | Confident | 55 Ų | 55 | 40.4 Ų | 40.4 | 39% | 0.385 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.6 | 173.7 | -138.8 | 0 | 0 | 0 | 0 | 108.3 | N850 L851 | N850-S865 PolarHBondContact ND2-OG 3.17Å; N850-S865 PolarHBondContact OD1-OG 3.12Å; L851-S865 WeakPolarHBondContact O-CA 3.27Å |
| 866 | C | 92 | Very high | 89.4 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.1 | 173.6 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | W762 L851 F864 | W762-C866 HydrophobicContact CB-CB 4.43Å; W762-C866 HydrophobicContact CD2-CB 3.77Å; W762-C866 HydrophobicContact CG-CB 3.71Å; W762-C866 HydrophobicContact CZ2-CB 4.36Å; L851-C866 WeakPolarHBondContact CB-O 3.15Å; L851-C866 PolarHBondContact N-O 3.48Å; L851-C866 PolarHBondContact O-N 3.36Å; F864-C866 HydrophobicContact CD2-CB 4.49Å |
| 867 | Q | 90.4 | Very high | 88.9 | Confident | 121 Ų | 121 | 45.4 Ų | 45.4 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 138.4 | 174.6 | -69.9 | 179.6 | 3.4 | 0 | 0 | 109.6 | N849 | N849-Q867 WeakPolarHBondContact O-CA 3.35Å |
| 868 | Y | 89.4 | Confident | 88.4 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | trans | -109.7 | 151.8 | 175.8 | 56.3 | -89.2 | 0 | 0 | 0 | 111.9 | F810 L812 N849 L851 I870 M872 L873 | F810-Y868 WeakPolarHBondContact CD2-OH 3.29Å; L812-Y868 HydrophobicContact CD1-CD1 3.92Å; L812-Y868 HydrophobicContact CD1-CD2 4.05Å; L812-Y868 HydrophobicContact CD1-CE1 3.56Å; L812-Y868 HydrophobicContact CD1-CE2 3.68Å; L812-Y868 HydrophobicContact CD1-CG 4.15Å; L812-Y868 VanDerWaalsContact CD1-CZ 3.42Å; N849-Y868 HydrophobicContact CB-CE2 4.33Å; N849-Y868 WeakPolarHBondContact CB-O 3.5Å; N849-Y868 PolarHBondContact ND2-O 3.27Å; N849-Y868 WeakPolarHBondContact O-CD1 3.37Å; N849-Y868 WeakPolarHBondContact O-CE1 3.39Å; N849-Y868 PolarHBondContact O-N 3.46Å; N849-Y868 VanDerWaalsContact O-N 3.13Å; L851-Y868 HydrophobicContact CB-CD1 3.89Å; L851-Y868 HydrophobicContact CB-CE1 3.94Å; Y868-I870 HydrophobicContact CE2-CD1 4.35Å; Y868-I870 PolarHBondContact O-N 3.24Å; Y868-M872 HydrophobicContact CD2-CE 3.55Å; Y868-M872 HydrophobicContact CD2-SD 4.05Å; Y868-M872 HydrophobicContact CE2-CE 4.29Å; Y868-M872 HydrophobicContact CG-CE 3.71Å; Y868-M872 HydrophobicContact CG-SD 4.28Å; Y868-L873 HydrophobicContact CE2-CD1 4.22Å; Y868-L873 HydrophobicContact CE2-CG 4.49Å | ||
| 869 | P | 86.4 | Confident | 88.3 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | trans | -70.2 | 125.3 | 174 | -12.7 | 28.2 | 0 | 0 | 0 | 110.1 | P757 S871 M872 | P757-P869 HydrophobicContact CG-CG 3.8Å; P869-S871 PolarHBondContact O-N 3.33Å; P869-S871 VanDerWaalsContact O-N 3.13Å; P869-M872 VanDerWaalsContact O-CG 3.3Å; P869-M872 WeakPolarHBondContact O-CG 3.2Å; P869-M872 PolarHBondContact O-N 3.36Å; P869-M872 VanDerWaalsContact O-N 3.13Å | ||
| 870 | I | 88.2 | Confident | 88.3 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -63.4 | -22.4 | -179.6 | -161.2 | 73 | 0 | 0 | 0 | 112.3 | F810 Y868 M872 L873 F874 L941 C974 V975 S978 | F810-I870 HydrophobicContact CD2-CD1 3.99Å; F810-I870 HydrophobicContact CE1-CD1 4.11Å; F810-I870 HydrophobicContact CE2-CD1 3.52Å; F810-I870 HydrophobicContact CG-CD1 4.47Å; F810-I870 HydrophobicContact CZ-CD1 3.59Å; Y868-I870 HydrophobicContact CE2-CD1 4.35Å; Y868-I870 PolarHBondContact O-N 3.24Å; I870-M872 PolarHBondContact O-N 3.07Å; I870-M872 VanDerWaalsContact O-N 3.16Å; I870-L873 HydrophobicContact CD1-CD1 3.63Å; I870-L873 HydrophobicContact CD1-CG 4.27Å; I870-L873 WeakPolarHBondContact O-CB 3.41Å; I870-L873 PolarHBondContact O-N 3.44Å; I870-F874 HydrophobicContact CG1-CE1 4.47Å; I870-F874 HydrophobicContact CG2-CE1 4.21Å; I870-F874 HydrophobicContact CG2-CZ 4.08Å; I870-L941 HydrophobicContact CD1-CD2 4.27Å; I870-L941 HydrophobicContact CG1-CD2 4.03Å; I870-C974 HydrophobicContact CB-CB 4.31Å; I870-C974 HydrophobicContact CG2-CB 4.07Å; I870-C974 WeakPolarHBondContact CG2-O 3.35Å; I870-V975 HydrophobicContact CG2-CG2 4.23Å; I870-S978 WeakPolarHBondContact CG2-OG 3.41Å |
| 871 | S | 85.6 | Confident | 88.3 | Confident | 31 Ų | 31 | 49.8 Ų | 49.8 | 22% | 0.217 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -55.8 | -26.8 | 173.1 | 56 | 0 | 0 | 0 | 0 | 114.7 | P869 L873 F874 S978 | P869-S871 PolarHBondContact O-N 3.33Å; P869-S871 VanDerWaalsContact O-N 3.13Å; S871-L873 PolarHBondContact O-N 3.08Å; S871-F874 WeakPolarHBondContact O-CB 3.37Å; S871-F874 PolarHBondContact O-N 3.42Å; S871-F874 VanDerWaalsContact O-N 3.09Å; S871-S978 PolarHBondContact N-OG 3.27Å |
| 872 | M | 86.3 | Confident | 88 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -67.2 | -18.6 | 175.8 | 83.3 | -167.4 | -155.9 | 0 | 0 | 113.2 | F777 R779 I784 L812 Y868 P869 I870 | F777-M872 HydrophobicContact CB-CE 4.44Å; F777-M872 HydrophobicContact CB-SD 3.48Å; F777-M872 WeakPolarHBondContact CB-SD 3.33Å; F777-M872 HydrophobicContact CD1-CE 3.94Å; F777-M872 HydrophobicContact CD1-SD 4.09Å; F777-M872 HydrophobicContact CG-CE 4.32Å; F777-M872 HydrophobicContact CG-SD 3.94Å; R779-M872 PolarHBondContact NH1-O 2.87Å; I784-M872 HydrophobicContact CG2-CE 3.8Å; I784-M872 HydrophobicContact CG2-CG 4.28Å; I784-M872 HydrophobicContact CG2-SD 4.17Å; L812-M872 HydrophobicContact CD1-CE 3.6Å; L812-M872 HydrophobicContact CD2-CE 4.06Å; Y868-M872 HydrophobicContact CD2-CE 3.55Å; Y868-M872 HydrophobicContact CD2-SD 4.05Å; Y868-M872 HydrophobicContact CE2-CE 4.29Å; Y868-M872 HydrophobicContact CG-CE 3.71Å; Y868-M872 HydrophobicContact CG-SD 4.28Å; P869-M872 VanDerWaalsContact O-CG 3.3Å; P869-M872 WeakPolarHBondContact O-CG 3.2Å; P869-M872 PolarHBondContact O-N 3.36Å; P869-M872 VanDerWaalsContact O-N 3.13Å; I870-M872 PolarHBondContact O-N 3.07Å; I870-M872 VanDerWaalsContact O-N 3.16Å |
| 873 | L | 87.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -88.1 | -6.3 | 175.2 | -53.4 | -167.5 | 0 | 0 | 0 | 113.3 | I784 F810 L812 T838 Y868 I870 S871 V875 L941 S942 | I784-L873 HydrophobicContact CD1-CD2 3.8Å; F810-L873 HydrophobicContact CB-CD1 3.49Å; F810-L873 VanDerWaalsContact CB-CD1 3.49Å; F810-L873 HydrophobicContact CD1-CD1 3.51Å; F810-L873 HydrophobicContact CD2-CD1 3.98Å; F810-L873 HydrophobicContact CE1-CD1 4.23Å; F810-L873 HydrophobicContact CG-CD1 3.37Å; L812-L873 HydrophobicContact CD2-CD2 4.17Å; T838-L873 HydrophobicContact CG2-CD2 4.11Å; Y868-L873 HydrophobicContact CE2-CD1 4.22Å; Y868-L873 HydrophobicContact CE2-CG 4.49Å; I870-L873 HydrophobicContact CD1-CD1 3.63Å; I870-L873 HydrophobicContact CD1-CG 4.27Å; I870-L873 WeakPolarHBondContact O-CB 3.41Å; I870-L873 PolarHBondContact O-N 3.44Å; S871-L873 PolarHBondContact O-N 3.08Å; L873-V875 PolarHBondContact O-N 3.12Å; L873-L941 CarbonylContact O-C 3.53Å; L873-L941 WeakPolarHBondContact O-CA 3.41Å; L873-S942 PolarHBondContact O-N 2.96Å |
| 874 | F | 89.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 123.7 | -179.7 | -60.4 | -12.3 | 0 | 0 | 0 | 110.2 | I870 S871 S919 N920 I921 T939 K940 L941 V975 | I870-F874 HydrophobicContact CG1-CE1 4.47Å; I870-F874 HydrophobicContact CG2-CE1 4.21Å; I870-F874 HydrophobicContact CG2-CZ 4.08Å; S871-F874 WeakPolarHBondContact O-CB 3.37Å; S871-F874 PolarHBondContact O-N 3.42Å; S871-F874 VanDerWaalsContact O-N 3.09Å; F874-S919 WeakPolarHBondContact CD2-O 3.45Å; F874-N920 HydrophobicContact CB-CB 3.84Å; F874-N920 PolarHBondContact O-ND2 2.88Å; F874-I921 HydrophobicContact CD2-CD1 4.33Å; F874-I921 HydrophobicContact CD2-CG1 3.89Å; F874-I921 HydrophobicContact CE2-CD1 3.97Å; F874-I921 HydrophobicContact CE2-CG1 3.93Å; F874-T939 HydrophobicContact CB-CG2 3.99Å; F874-T939 HydrophobicContact CD1-CG2 3.59Å; F874-T939 HydrophobicContact CD2-CG2 3.57Å; F874-T939 HydrophobicContact CE1-CG2 3.91Å; F874-T939 HydrophobicContact CE2-CG2 3.89Å; F874-T939 HydrophobicContact CG-CG2 3.43Å; F874-T939 VanDerWaalsContact CG-CG2 3.43Å; F874-T939 HydrophobicContact CZ-CG2 4.06Å; F874-K940 WeakPolarHBondContact CA-O 3.28Å; F874-L941 HydrophobicContact CD1-CD1 4.44Å; F874-L941 HydrophobicContact CD1-CG 4.2Å; F874-L941 HydrophobicContact CE1-CD1 4.26Å; F874-L941 HydrophobicContact CE1-CG 4.2Å; F874-V975 HydrophobicContact CE1-CG2 4.17Å; F874-V975 HydrophobicContact CZ-CG1 4.21Å; F874-V975 HydrophobicContact CZ-CG2 4.1Å |
| 875 | V | 87 | Confident | 87.1 | Confident | 28 Ų | 28 | 57.2 Ų | 57.2 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | trans | -97.1 | 152.9 | -174.6 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | L873 D877 G878 K940 | L873-V875 PolarHBondContact O-N 3.12Å; V875-D877 HydrophobicContact CG2-CB 4.4Å; V875-D877 PolarHBondContact O-N 3Å; V875-G878 PolarHBondContact O-N 3.38Å; V875-K940 HydrophobicContact CG2-CB 3.84Å; V875-K940 HydrophobicContact CG2-CD 3.8Å; V875-K940 HydrophobicContact CG2-CG 3.83Å; V875-K940 PolarHBondContact N-O 3.46Å | ||
| 876 | E | 82.1 | Confident | 86.8 | Confident | 111 Ų | 111 | 59 Ų | 59 | 52% | 0.519 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -64.5 | -28.2 | -179.4 | -71.4 | 148.3 | -130.2 | 0 | 0 | 112.6 | A782 G878 F922 | A782-E876 WeakPolarHBondContact CB-OE1 3.37Å; E876-G878 PolarHBondContact O-N 3.45Å; E876-F922 WeakPolarHBondContact O-CZ 3.45Å |
| 877 | D | 83.4 | Confident | 86.5 | Confident | 109 Ų | 109 | 61.7 Ų | 61.7 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -74.6 | 27.5 | 169 | -173.3 | 44.7 | 0 | 0 | 0 | 112.9 | V875 K940 W946 | V875-D877 HydrophobicContact CG2-CB 4.4Å; V875-D877 PolarHBondContact O-N 3Å; D877-K940 WeakPolarHBondContact O-CD 3.35Å; D877-K940 IonicContact OD2-NZ 3.82Å; D877-K940 PolarHBondContact OD2-NZ 3.19Å; D877-W946 WeakPolarHBondContact O-CH2 3.44Å |
| 878 | G | 80 | Confident | 86.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -90.5 | -0.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V875 E876 S938 | V875-G878 PolarHBondContact O-N 3.38Å; E876-G878 PolarHBondContact O-N 3.45Å; G878-S938 CarbonylContact O-C 3.58Å; G878-S938 PolarHBondContact O-OG 3.38Å |
| 879 | K | 87.1 | Confident | 86.3 | Confident | 144 Ų | 144 | 59.5 Ų | 59.5 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | trans | -89.7 | 107 | -178.1 | -173 | 178.1 | -179 | 179 | 0 | 111.4 | F922 I924 | K879-F922 HydrophobicContact CB-CB 4.01Å; K879-F922 HydrophobicContact CB-CD1 4.07Å; K879-F922 HydrophobicContact CB-CD2 4.07Å; K879-F922 HydrophobicContact CB-CG 3.77Å; K879-F922 HydrophobicContact CD-CD1 4.47Å; K879-F922 HydrophobicContact CG-CB 4.09Å; K879-F922 HydrophobicContact CG-CD1 4.44Å; K879-F922 HydrophobicContact CG-CG 4.27Å; K879-I924 HydrophobicContact CG-CD1 3.89Å | ||
| 880 | M | 87.3 | Confident | 86.2 | Confident | 12 Ų | 12 | 66.2 Ų | 66.2 | 6% | 0.059 | 33% | 0.325 | C | S | . | . | trans | -87.2 | 144.2 | -179.7 | -168.1 | 172.7 | -67.7 | 0 | 0 | 112.4 | V884 F885 I924 S938 W946 L948 | M880-V884 HydrophobicContact CG-CB 3.89Å; M880-V884 HydrophobicContact CG-CG1 3.87Å; M880-V884 HydrophobicContact SD-CB 4.27Å; M880-V884 HydrophobicContact SD-CG1 3.84Å; M880-F885 HydrophobicContact CG-CB 4.26Å; M880-F885 WeakPolarHBondContact SD-CA 3.22Å; M880-F885 HydrophobicContact SD-CB 4.04Å; M880-F885 HydrophobicContact SD-CD2 4.43Å; M880-I924 WeakPolarHBondContact O-CD1 3.38Å; M880-S938 PolarHBondContact N-OG 3.08Å; M880-W946 HydrophobicContact CB-CZ3 4.16Å; M880-W946 HydrophobicContact CE-CB 4.46Å; M880-W946 HydrophobicContact CE-CD2 3.49Å; M880-W946 VanDerWaalsContact CE-CD2 3.49Å; M880-W946 HydrophobicContact CE-CE3 3.31Å; M880-W946 HydrophobicContact CE-CG 4.04Å; M880-W946 HydrophobicContact CE-CH2 4.11Å; M880-W946 HydrophobicContact CE-CZ2 4.28Å; M880-W946 HydrophobicContact CE-CZ3 3.64Å; M880-L948 HydrophobicContact CE-CD2 3.96Å; M880-L948 HydrophobicContact SD-CD2 4.12Å | ||
| 881 | E | 88.1 | Confident | 86.2 | Confident | 141 Ų | 141 | 70.6 Ų | 70.6 | 66% | 0.659 | 35% | 0.348 | S | S | * | . | trans | -68.8 | 146.5 | 171.4 | -68.6 | -165.8 | 170.2 | 0 | 0 | 112.2 | Q883 V884 F885 | E881-Q883 VanDerWaalsContact C-N 3.27Å; E881-Q883 PolarHBondContact O-N 2.76Å; E881-V884 HydrophobicContact CB-CB 4.49Å; E881-V884 HydrophobicContact CB-CG2 4.16Å; E881-V884 PolarHBondContact O-N 3.42Å; E881-V884 VanDerWaalsContact O-N 3.09Å; E881-F885 WeakPolarHBondContact O-CB 3.49Å; E881-F885 PolarHBondContact O-N 2.91Å | ||
| 882 | R | 85.8 | Confident | 86.2 | Confident | 155 Ų | 155 | 69.5 Ų | 69.5 | 59% | 0.585 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.6 | -32.1 | -175.2 | -173.3 | 173.2 | 179.8 | 146 | 0.5 | 114.3 | L886 I924 | R882-L886 HydrophobicContact CG-CD1 4.44Å; R882-L886 WeakPolarHBondContact O-CG 3.37Å; R882-L886 PolarHBondContact O-N 3.19Å; R882-I924 HydrophobicContact CB-CG2 4.09Å |
| 883 | Q | 84.3 | Confident | 85.9 | Confident | 164 Ų | 164 | 71.9 Ų | 71.9 | 77% | 0.766 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -72.1 | -44.7 | 175.8 | -65.4 | -172 | 5 | 0 | 0 | 111.4 | E881 L886 A887 | E881-Q883 VanDerWaalsContact C-N 3.27Å; E881-Q883 PolarHBondContact O-N 2.76Å; Q883-L886 PolarHBondContact O-N 2.86Å; Q883-A887 PolarHBondContact O-N 3.21Å; Q883-A887 VanDerWaalsContact O-N 3.12Å |
| 884 | V | 86.4 | Confident | 85.6 | Confident | 69 Ų | 69 | 77.4 Ų | 77.4 | 42% | 0.418 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | M880 E881 L886 A887 T888 | M880-V884 HydrophobicContact CG-CB 3.89Å; M880-V884 HydrophobicContact CG-CG1 3.87Å; M880-V884 HydrophobicContact SD-CB 4.27Å; M880-V884 HydrophobicContact SD-CG1 3.84Å; E881-V884 HydrophobicContact CB-CB 4.49Å; E881-V884 HydrophobicContact CB-CG2 4.16Å; E881-V884 PolarHBondContact O-N 3.42Å; E881-V884 VanDerWaalsContact O-N 3.09Å; V884-L886 VanDerWaalsContact C-N 3.35Å; V884-L886 PolarHBondContact O-N 2.86Å; V884-A887 WeakPolarHBondContact O-CB 3.49Å; V884-A887 PolarHBondContact O-N 3.28Å; V884-T888 PolarHBondContact O-N 3.4Å; V884-T888 PolarHBondContact O-OG1 3.15Å |
| 885 | F | 89.8 | Confident | 85.1 | Confident | 7 Ų | 7 | 84.1 Ų | 84.1 | 3% | 0.031 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -54.7 | -47.7 | 175.2 | -175.6 | -84 | 0 | 0 | 0 | 112.2 | M880 E881 A887 T888 W889 I924 Y936 Q937 L948 | M880-F885 HydrophobicContact CG-CB 4.26Å; M880-F885 WeakPolarHBondContact SD-CA 3.22Å; M880-F885 HydrophobicContact SD-CB 4.04Å; M880-F885 HydrophobicContact SD-CD2 4.43Å; E881-F885 WeakPolarHBondContact O-CB 3.49Å; E881-F885 PolarHBondContact O-N 2.91Å; F885-A887 VanDerWaalsContact C-N 3.28Å; F885-A887 PolarHBondContact O-N 3.08Å; F885-T888 PolarHBondContact O-N 3.11Å; F885-W889 HydrophobicContact CE1-CB 4.43Å; F885-W889 HydrophobicContact CE1-CD2 4.3Å; F885-W889 AromaticContact CE1-CE3 3.87Å; F885-W889 HydrophobicContact CE1-CE3 3.87Å; F885-W889 HydrophobicContact CE2-CE3 4.38Å; F885-W889 HydrophobicContact CZ-CD2 4.41Å; F885-W889 AromaticContact CZ-CE3 3.54Å; F885-W889 HydrophobicContact CZ-CE3 3.54Å; F885-W889 AromaticContact CZ-CZ3 3.97Å; F885-W889 HydrophobicContact CZ-CZ3 3.97Å; F885-W889 WeakPolarHBondContact O-CB 3.25Å; F885-W889 PolarHBondContact O-N 2.85Å; F885-I924 HydrophobicContact CB-CG2 4.33Å; F885-I924 HydrophobicContact CD2-CG1 4.33Å; F885-I924 HydrophobicContact CG-CG2 4.49Å; F885-Y936 AromaticContact CE1-CD1 3.93Å; F885-Y936 HydrophobicContact CE1-CD1 3.93Å; F885-Y936 HydrophobicContact CE1-CG 4.23Å; F885-Y936 HydrophobicContact CZ-CD1 4.14Å; F885-Y936 HydrophobicContact CZ-CG 4.46Å; F885-Q937 WeakPolarHBondContact CE2-O 3.36Å; F885-L948 HydrophobicContact CD2-CD1 4.41Å; F885-L948 HydrophobicContact CD2-CD2 3.89Å; F885-L948 HydrophobicContact CE2-CB 3.94Å; F885-L948 HydrophobicContact CE2-CD1 4.26Å; F885-L948 HydrophobicContact CE2-CD2 3.85Å; F885-L948 HydrophobicContact CE2-CG 4.23Å; F885-L948 HydrophobicContact CZ-CB 4.31Å |
| 886 | L | 86.3 | Confident | 84.9 | Confident | 93 Ų | 93 | 85.2 Ų | 85.2 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.7 | -22.5 | 179.3 | -71.9 | 171.4 | 0 | 0 | 0 | 113.8 | R882 Q883 V884 K890 | R882-L886 HydrophobicContact CG-CD1 4.44Å; R882-L886 WeakPolarHBondContact O-CG 3.37Å; R882-L886 PolarHBondContact O-N 3.19Å; Q883-L886 PolarHBondContact O-N 2.86Å; V884-L886 VanDerWaalsContact C-N 3.35Å; V884-L886 PolarHBondContact O-N 2.86Å; L886-K890 WeakPolarHBondContact O-CD 3.34Å; L886-K890 WeakPolarHBondContact O-CG 3.3Å |
| 887 | A | 86.1 | Confident | 85.2 | Confident | 62 Ų | 62 | 83.2 Ų | 83.2 | 51% | 0.512 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -77.2 | -53.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q883 V884 F885 W889 K890 D891 | Q883-A887 PolarHBondContact O-N 3.21Å; Q883-A887 VanDerWaalsContact O-N 3.12Å; V884-A887 WeakPolarHBondContact O-CB 3.49Å; V884-A887 PolarHBondContact O-N 3.28Å; F885-A887 VanDerWaalsContact C-N 3.28Å; F885-A887 PolarHBondContact O-N 3.08Å; A887-W889 VanDerWaalsContact C-N 3.33Å; A887-W889 PolarHBondContact O-N 3.15Å; A887-K890 PolarHBondContact O-N 2.93Å; A887-K890 VanDerWaalsContact O-N 3.1Å; A887-D891 PolarHBondContact O-N 3.22Å |
| 888 | T | 86.6 | Confident | 85.5 | Confident | 32 Ų | 32 | 79.3 Ų | 79.3 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.6 | -35 | -178.6 | -51.5 | 0 | 0 | 0 | 0 | 112.6 | V884 F885 K890 D891 I892 L948 | V884-T888 PolarHBondContact O-N 3.4Å; V884-T888 PolarHBondContact O-OG1 3.15Å; F885-T888 PolarHBondContact O-N 3.11Å; T888-K890 VanDerWaalsContact C-N 3.26Å; T888-K890 PolarHBondContact O-N 3.34Å; T888-D891 PolarHBondContact O-N 3.34Å; T888-I892 HydrophobicContact CG2-CD1 4.1Å; T888-I892 WeakPolarHBondContact O-CG1 3.43Å; T888-I892 PolarHBondContact O-N 3.23Å; T888-I892 VanDerWaalsContact O-N 3.15Å; T888-L948 HydrophobicContact CG2-CD1 3.94Å |
| 889 | W | 87 | Confident | 86 | Confident | 45 Ų | 45 | 84.7 Ų | 84.7 | 17% | 0.17 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.4 | -27.6 | 175.2 | -171.1 | -82.5 | 0 | 0 | 0 | 113.6 | F885 A887 L948 E950 K965 | F885-W889 HydrophobicContact CE1-CB 4.43Å; F885-W889 HydrophobicContact CE1-CD2 4.3Å; F885-W889 AromaticContact CE1-CE3 3.87Å; F885-W889 HydrophobicContact CE1-CE3 3.87Å; F885-W889 HydrophobicContact CE2-CE3 4.38Å; F885-W889 HydrophobicContact CZ-CD2 4.41Å; F885-W889 AromaticContact CZ-CE3 3.54Å; F885-W889 HydrophobicContact CZ-CE3 3.54Å; F885-W889 AromaticContact CZ-CZ3 3.97Å; F885-W889 HydrophobicContact CZ-CZ3 3.97Å; F885-W889 WeakPolarHBondContact O-CB 3.25Å; F885-W889 PolarHBondContact O-N 2.85Å; A887-W889 VanDerWaalsContact C-N 3.33Å; A887-W889 PolarHBondContact O-N 3.15Å; W889-L948 HydrophobicContact CB-CD1 4.14Å; W889-L948 HydrophobicContact CE3-CB 3.64Å; W889-L948 HydrophobicContact CE3-CD1 3.96Å; W889-L948 HydrophobicContact CE3-CG 4.48Å; W889-L948 HydrophobicContact CZ3-CB 3.72Å; W889-E950 HydrophobicContact CH2-CB 3.8Å; W889-E950 HydrophobicContact CZ2-CB 4.33Å; W889-K965 HydrophobicContact CD2-CD 4.2Å; W889-K965 HydrophobicContact CH2-CD 4.47Å; W889-K965 HydrophobicContact CH2-CG 4.34Å; W889-K965 HydrophobicContact CZ2-CD 4.17Å; W889-K965 HydrophobicContact CZ2-CG 4.44Å; W889-K965 HydrophobicContact CZ3-CB 4.42Å; W889-K965 PolarHBondContact O-NZ 3.31Å |
| 890 | K | 86.1 | Confident | 86.2 | Confident | 177 Ų | 177 | 80.1 Ų | 80.1 | 77% | 0.77 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -88.3 | -25.9 | 176.5 | -70.2 | 179.4 | 178.2 | -174.1 | 0 | 113.5 | L886 A887 T888 | L886-K890 WeakPolarHBondContact O-CD 3.34Å; L886-K890 WeakPolarHBondContact O-CG 3.3Å; A887-K890 PolarHBondContact O-N 2.93Å; A887-K890 VanDerWaalsContact O-N 3.1Å; T888-K890 VanDerWaalsContact C-N 3.26Å; T888-K890 PolarHBondContact O-N 3.34Å |
| 891 | D | 87.2 | Confident | 86.3 | Confident | 94 Ų | 94 | 84.9 Ų | 84.9 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -75.8 | -32.6 | 177.9 | 167.4 | 103.7 | 0 | 0 | 0 | 112.3 | A887 T888 S893 R967 | A887-D891 PolarHBondContact O-N 3.22Å; T888-D891 PolarHBondContact O-N 3.34Å; D891-S893 PolarHBondContact O-N 3.32Å; D891-R967 IonicContact OD1-NH2 2.73Å; D891-R967 PolarHBondContact OD1-NH2 3.04Å; D891-R967 IonicContact OD2-CZ 3.22Å; D891-R967 IonicContact OD2-NE 2.78Å; D891-R967 PolarHBondContact OD2-NE 2.86Å; D891-R967 IonicContact OD2-NH2 2.96Å; D891-R967 PolarHBondContact OD2-NH2 3.4Å |
| 892 | I | 85.3 | Confident | 86.2 | Confident | 8 Ų | 8 | 78.1 Ų | 78.1 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -80 | 114.7 | 174.7 | -60.1 | 170.8 | 0 | 0 | 0 | 110.1 | T888 N896 L948 K965 R967 | T888-I892 HydrophobicContact CG2-CD1 4.1Å; T888-I892 WeakPolarHBondContact O-CG1 3.43Å; T888-I892 PolarHBondContact O-N 3.23Å; T888-I892 VanDerWaalsContact O-N 3.15Å; I892-N896 HydrophobicContact CG2-CB 4.01Å; I892-L948 HydrophobicContact CD1-CD1 4.39Å; I892-K965 HydrophobicContact CB-CD 4.4Å; I892-K965 HydrophobicContact CD1-CB 4.48Å; I892-K965 HydrophobicContact CG2-CB 4.17Å; I892-K965 HydrophobicContact CG2-CD 4.26Å; I892-K965 HydrophobicContact CG2-CG 4.49Å; I892-K965 PolarHBondContact O-NZ 3.46Å; I892-R967 HydrophobicContact CD1-CG 4.24Å; I892-R967 HydrophobicContact CG1-CG 3.9Å |
| 893 | S | 81.3 | Confident | 86.2 | Confident | 58 Ų | 58 | 76.5 Ų | 76.5 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | trans | -55 | 151.3 | 177 | -162 | 0 | 0 | 0 | 0 | 112.6 | D891 D895 N896 | D891-S893 PolarHBondContact O-N 3.32Å; S893-D895 WeakPolarHBondContact CB-OD2 3.45Å; S893-D895 PolarHBondContact O-N 3.08Å; S893-D895 PolarHBondContact OG-OD2 2.84Å; S893-N896 PolarHBondContact O-N 3.27Å; S893-N896 VanDerWaalsContact O-N 3.16Å | ||
| 894 | N | 81.1 | Confident | 85.9 | Confident | 117 Ų | 117 | 74.1 Ų | 74.1 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -67.2 | -21.7 | 179.7 | -62.5 | -18.7 | 0 | 0 | 0 | 112.5 | N896 E897 K965 | N894-N896 PolarHBondContact O-N 3.4Å; N894-E897 VanDerWaalsContact O-CB 3.28Å; N894-E897 WeakPolarHBondContact O-CB 3.35Å; N894-E897 PolarHBondContact O-N 3.44Å; N894-K965 PolarHBondContact OD1-NZ 3.23Å |
| 895 | D | 78.9 | Confident | 85.5 | Confident | 141 Ų | 141 | 71 Ų | 71 | 75% | 0.754 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -65.3 | -17.8 | 174.9 | -32.6 | -71.6 | 0 | 0 | 0 | 112.5 | S893 | S893-D895 WeakPolarHBondContact CB-OD2 3.45Å; S893-D895 PolarHBondContact O-N 3.08Å; S893-D895 PolarHBondContact OG-OD2 2.84Å |
| 896 | N | 83.5 | Confident | 84.8 | Confident | 51 Ų | 51 | 78.7 Ų | 78.7 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -101.5 | 20.1 | 173.9 | -65.6 | -70.4 | 0 | 0 | 0 | 112.7 | I892 S893 N894 C966 P969 | I892-N896 HydrophobicContact CG2-CB 4.01Å; S893-N896 PolarHBondContact O-N 3.27Å; S893-N896 VanDerWaalsContact O-N 3.16Å; N894-N896 PolarHBondContact O-N 3.4Å; N896-C966 WeakPolarHBondContact CB-O 3.43Å; N896-P969 WeakPolarHBondContact OD1-CG 3.29Å |
| 897 | E | 87.7 | Confident | 84.6 | Confident | 69 Ų | 69 | 76.8 Ų | 76.8 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125 | 171.2 | -167.6 | 170.5 | 155.5 | 0 | 0 | 110.8 | N894 C963 L964 K965 | N894-E897 VanDerWaalsContact O-CB 3.28Å; N894-E897 WeakPolarHBondContact O-CB 3.35Å; N894-E897 PolarHBondContact O-N 3.44Å; E897-C963 HydrophobicContact CG-CB 4.31Å; E897-C963 WeakPolarHBondContact OE1-CB 3.41Å; E897-C963 PolarHBondContact OE1-SG 3.11Å; E897-L964 WeakPolarHBondContact CA-O 3.47Å; E897-K965 HydrophobicContact CB-CG 3.96Å; E897-K965 HydrophobicContact CG-CG 3.88Å; E897-K965 WeakPolarHBondContact OE2-CE 3.49Å; E897-K965 IonicContact OE2-NZ 2.73Å |
| 898 | A | 88.8 | Confident | 84.4 | Confident | 27 Ų | 27 | 77 Ų | 77 | 22% | 0.223 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | F900 L964 | A898-F900 HydrophobicContact CB-CD2 4.43Å; A898-F900 HydrophobicContact CB-CE2 3.49Å; A898-F900 VanDerWaalsContact CB-CE2 3.49Å; A898-F900 HydrophobicContact CB-CZ 3.75Å; A898-L964 PolarHBondContact N-O 2.61Å; A898-L964 PolarHBondContact O-N 3.21Å |
| 899 | Q | 91.1 | Very high | 84.2 | Confident | 112 Ų | 112 | 75.9 Ų | 75.9 | 52% | 0.523 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 128.7 | 179.3 | -175.9 | 178.6 | -25 | 0 | 0 | 111.2 | T961 | Q899-T961 HydrophobicContact CG-CG2 3.84Å |
| 900 | F | 91.2 | Very high | 84 | Confident | 49 Ų | 49 | 77.8 Ų | 77.8 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 165.1 | 179.8 | -54 | -86.5 | 0 | 0 | 0 | 111.5 | A898 T961 V962 L964 F976 | A898-F900 HydrophobicContact CB-CD2 4.43Å; A898-F900 HydrophobicContact CB-CE2 3.49Å; A898-F900 VanDerWaalsContact CB-CE2 3.49Å; A898-F900 HydrophobicContact CB-CZ 3.75Å; F900-T961 WeakPolarHBondContact O-CA 3.42Å; F900-V962 PolarHBondContact N-O 3.02Å; F900-V962 PolarHBondContact O-N 3.17Å; F900-L964 HydrophobicContact CD2-CD1 4.34Å; F900-L964 HydrophobicContact CE2-CD1 4.08Å; F900-L964 HydrophobicContact CE2-CG 4.5Å; F900-F976 HydrophobicContact CB-CD1 4.25Å; F900-F976 HydrophobicContact CB-CD2 3.27Å; F900-F976 HydrophobicContact CB-CE1 4.26Å; F900-F976 HydrophobicContact CB-CE2 3.26Å; F900-F976 HydrophobicContact CB-CG 3.79Å; F900-F976 HydrophobicContact CB-CZ 3.8Å; F900-F976 HydrophobicContact CD1-CB 4.37Å; F900-F976 AromaticContact CD1-CD1 3.89Å; F900-F976 HydrophobicContact CD1-CD1 3.89Å; F900-F976 HydrophobicContact CD1-CD2 4.27Å; F900-F976 HydrophobicContact CD1-CE1 4.3Å; F900-F976 AromaticContact CD1-CG 3.88Å; F900-F976 HydrophobicContact CD1-CG 3.88Å; F900-F976 HydrophobicContact CD2-CB 3.84Å; F900-F976 AromaticContact CD2-CD2 3.9Å; F900-F976 HydrophobicContact CD2-CD2 3.9Å; F900-F976 AromaticContact CD2-CG 3.86Å; F900-F976 HydrophobicContact CD2-CG 3.86Å; F900-F976 HydrophobicContact CE1-CB 4.48Å; F900-F976 HydrophobicContact CE1-CD1 4.39Å; F900-F976 HydrophobicContact CE1-CG 4.4Å; F900-F976 HydrophobicContact CE2-CB 3.95Å; F900-F976 HydrophobicContact CE2-CG 4.38Å; F900-F976 HydrophobicContact CG-CB 4.06Å; F900-F976 HydrophobicContact CG-CD1 4.04Å; F900-F976 AromaticContact CG-CD2 3.58Å; F900-F976 HydrophobicContact CG-CD2 3.58Å; F900-F976 HydrophobicContact CG-CE1 4.46Å; F900-F976 HydrophobicContact CG-CE2 4.03Å; F900-F976 AromaticContact CG-CG 3.58Å; F900-F976 HydrophobicContact CG-CG 3.58Å; F900-F976 HydrophobicContact CG-CZ 4.46Å; F900-F976 HydrophobicContact CZ-CB 4.27Å |
| 901 | Q | 89.8 | Confident | 83.9 | Confident | 111 Ų | 111 | 71.2 Ų | 71.2 | 52% | 0.519 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.3 | 176.2 | -66.1 | -179.7 | 2.4 | 0 | 0 | 110.7 | T959 F960 | Q901-T959 HydrophobicContact CB-CG2 4.21Å; Q901-F960 CarbonylContact C-O 3.44Å; Q901-F960 WeakPolarHBondContact CA-O 3.38Å |
| 902 | I | 86.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119 | 171.9 | -49.8 | 171.9 | 0 | 0 | 0 | 107.2 | C905 T959 F960 V962 F976 E980 L983 K984 | I902-C905 VanDerWaalsContact CG2-SG 3.51Å; I902-T959 CarbonylContact O-C 3.57Å; I902-T959 WeakPolarHBondContact O-CA 3.14Å; I902-F960 HydrophobicContact CB-CB 4.46Å; I902-F960 PolarHBondContact N-O 3.46Å; I902-F960 PolarHBondContact O-N 3.08Å; I902-V962 HydrophobicContact CD1-CG2 3.84Å; I902-V962 HydrophobicContact CG1-CG2 4.32Å; I902-F976 HydrophobicContact CD1-CE2 4.19Å; I902-F976 HydrophobicContact CG1-CE2 3.52Å; I902-F976 HydrophobicContact CG1-CZ 4.02Å; I902-E980 HydrophobicContact CD1-CB 4.45Å; I902-E980 HydrophobicContact CG1-CB 4.45Å; I902-E980 HydrophobicContact CG2-CB 4.43Å; I902-E980 HydrophobicContact CG2-CG 4.18Å; I902-L983 HydrophobicContact CD1-CD1 3.61Å; I902-K984 HydrophobicContact CG2-CG 4.48Å |
| 903 | K | 84.9 | Confident | 83.8 | Confident | 121 Ų | 121 | 67 Ų | 67 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | trans | -91.5 | 159.3 | 177 | -62.6 | 177.2 | -177.3 | 176.4 | 0 | 110.9 | C905 T959 K984 | K903-C905 PolarHBondContact O-N 2.92Å; K903-T959 HydrophobicContact CG-CG2 4.26Å; K903-K984 WeakPolarHBondContact O-CE 3.5Å | ||
| 904 | D | 77.7 | Confident | 84 | Confident | 113 Ų | 113 | 69.5 Ų | 69.5 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 66.4 | 30.5 | 171.2 | -43.5 | -54.6 | 0 | 0 | 0 | 115 | P958 | D904-P958 PolarHBondContact N-O 3.48Å; D904-P958 VanDerWaalsContact N-O 3.11Å |
| 905 | C | 77.9 | Confident | 84.1 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | trans | -97.7 | 107.6 | 175.4 | -74.9 | 0 | 0 | 0 | 0 | 112.3 | I902 K903 L907 P958 F960 | I902-C905 VanDerWaalsContact CG2-SG 3.51Å; K903-C905 PolarHBondContact O-N 2.92Å; C905-L907 PolarHBondContact O-N 3.41Å; C905-P958 PolarHBondContact N-O 2.89Å; C905-F960 HydrophobicContact CB-CD1 4.12Å; C905-F960 HydrophobicContact CB-CD2 4.1Å; C905-F960 HydrophobicContact CB-CE1 3.98Å; C905-F960 HydrophobicContact CB-CE2 3.99Å; C905-F960 HydrophobicContact CB-CG 4.17Å; C905-F960 HydrophobicContact CB-CZ 3.92Å | ||
| 906 | H | 76.4 | Confident | 84.5 | Confident | 169 Ų | 169 | 60 Ų | 60 | 78% | 0.782 | 31% | 0.311 | S | S | * | . | trans | -94.4 | 25.3 | 178.3 | -64.6 | -76 | 0 | 0 | 0 | 114.5 | ||||
| 907 | L | 80.6 | Confident | 84.6 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 27% | 0.272 | 32% | 0.321 | S | S | . | . | trans | -85.3 | 150.7 | -179.9 | -62.8 | 176.7 | 0 | 0 | 0 | 111.9 | C905 A911 A912 K915 F960 L983 | C905-L907 PolarHBondContact O-N 3.41Å; L907-A911 HydrophobicContact CB-CB 4.48Å; L907-A911 HydrophobicContact CD2-CB 4.45Å; L907-A912 HydrophobicContact CB-CB 4.35Å; L907-A912 HydrophobicContact CD1-CB 4.46Å; L907-K915 HydrophobicContact CD1-CD 3.82Å; L907-F960 HydrophobicContact CB-CE2 4.48Å; L907-F960 HydrophobicContact CB-CZ 4.15Å; L907-F960 WeakPolarHBondContact O-CZ 3.47Å; L907-L983 HydrophobicContact CD1-CD2 3.92Å | ||
| 908 | S | 82.8 | Confident | 84.2 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | trans | -75 | 159.6 | 162.3 | 69.1 | 0 | 0 | 0 | 0 | 110.6 | D910 A911 A912 | S908-D910 VanDerWaalsContact C-N 3.27Å; S908-D910 PolarHBondContact O-N 3.43Å; S908-A911 PolarHBondContact O-N 3.47Å; S908-A911 VanDerWaalsContact OG-CB 3.29Å; S908-A911 WeakPolarHBondContact OG-CB 3.44Å; S908-A911 PolarHBondContact OG-N 3.5Å; S908-A912 WeakPolarHBondContact O-CB 3.35Å; S908-A912 PolarHBondContact O-N 3.32Å | ||
| 909 | S | 81.6 | Confident | 83.9 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.8 | -37.8 | 178 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | S913 K926 D933 | S909-S913 WeakPolarHBondContact O-CB 3.4Å; S909-S913 PolarHBondContact O-N 2.93Å; S909-K926 WeakPolarHBondContact OG-CE 3.29Å; S909-K926 PolarHBondContact OG-NZ 3.46Å; S909-D933 VanDerWaalsContact CB-OD2 3.25Å; S909-D933 WeakPolarHBondContact CB-OD2 3.37Å; S909-D933 PolarHBondContact OG-OD2 3Å |
| 910 | D | 83.3 | Confident | 83.8 | Confident | 85 Ų | 85 | 56.6 Ų | 56.6 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.5 | -35.5 | 177.4 | -56.4 | -56.4 | 0 | 0 | 0 | 112.3 | S908 S913 N914 K926 | S908-D910 VanDerWaalsContact C-N 3.27Å; S908-D910 PolarHBondContact O-N 3.43Å; D910-S913 PolarHBondContact O-N 3Å; D910-N914 WeakPolarHBondContact O-CB 3.48Å; D910-N914 VanDerWaalsContact O-CG 3.23Å; D910-N914 PolarHBondContact O-N 3.16Å; D910-N914 PolarHBondContact O-ND2 3.18Å; D910-K926 IonicContact OD1-NZ 3.78Å; D910-K926 PolarHBondContact OD1-NZ 3.33Å; D910-K926 IonicContact OD2-NZ 3.65Å; D910-K926 PolarHBondContact OD2-NZ 2.96Å |
| 911 | A | 83.9 | Confident | 83.7 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 31% | 0.314 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L907 S908 N914 K915 | L907-A911 HydrophobicContact CB-CB 4.48Å; L907-A911 HydrophobicContact CD2-CB 4.45Å; S908-A911 PolarHBondContact O-N 3.47Å; S908-A911 VanDerWaalsContact OG-CB 3.29Å; S908-A911 WeakPolarHBondContact OG-CB 3.44Å; S908-A911 PolarHBondContact OG-N 3.5Å; A911-N914 PolarHBondContact O-N 3.34Å; A911-K915 WeakPolarHBondContact O-CB 3.33Å; A911-K915 PolarHBondContact O-N 3.09Å |
| 912 | A | 84.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L907 S908 N914 K915 L916 F960 L983 | L907-A912 HydrophobicContact CB-CB 4.35Å; L907-A912 HydrophobicContact CD1-CB 4.46Å; S908-A912 WeakPolarHBondContact O-CB 3.35Å; S908-A912 PolarHBondContact O-N 3.32Å; A912-N914 PolarHBondContact O-N 2.91Å; A912-K915 PolarHBondContact O-N 2.8Å; A912-L916 WeakPolarHBondContact O-CB 3.37Å; A912-L916 VanDerWaalsContact O-CG 3.24Å; A912-L916 WeakPolarHBondContact O-CG 3.1Å; A912-L916 PolarHBondContact O-N 3.41Å; A912-F960 HydrophobicContact CB-CE2 4.07Å; A912-L983 HydrophobicContact CB-CD2 3.73Å |
| 913 | S | 86.6 | Confident | 84 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 11% | 0.105 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 112.4 | S909 D910 Q917 T923 | S909-S913 WeakPolarHBondContact O-CB 3.4Å; S909-S913 PolarHBondContact O-N 2.93Å; D910-S913 PolarHBondContact O-N 3Å; S913-Q917 WeakPolarHBondContact O-CB 3.45Å; S913-Q917 PolarHBondContact O-N 3.46Å; S913-T923 WeakPolarHBondContact OG-CB 3.47Å; S913-T923 PolarHBondContact OG-OG1 3.13Å |
| 914 | N | 85.1 | Confident | 84.3 | Confident | 109 Ų | 109 | 47.3 Ų | 47.3 | 58% | 0.583 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 178.9 | -70 | -21.2 | 0 | 0 | 0 | 112.3 | D910 A911 A912 Q917 G918 | D910-N914 WeakPolarHBondContact O-CB 3.48Å; D910-N914 VanDerWaalsContact O-CG 3.23Å; D910-N914 PolarHBondContact O-N 3.16Å; D910-N914 PolarHBondContact O-ND2 3.18Å; A911-N914 PolarHBondContact O-N 3.34Å; A912-N914 PolarHBondContact O-N 2.91Å; N914-Q917 PolarHBondContact O-N 3.48Å; N914-G918 PolarHBondContact O-N 2.93Å; N914-G918 VanDerWaalsContact O-N 3.15Å |
| 915 | K | 83.8 | Confident | 84.7 | Confident | 58 Ų | 58 | 42.5 Ų | 42.5 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.9 | -43.1 | 180 | -161 | 177.1 | -171.1 | -169 | 0 | 112.2 | L907 A911 A912 G918 V982 L983 N985 | L907-K915 HydrophobicContact CD1-CD 3.82Å; A911-K915 WeakPolarHBondContact O-CB 3.33Å; A911-K915 PolarHBondContact O-N 3.09Å; A912-K915 PolarHBondContact O-N 2.8Å; K915-G918 PolarHBondContact O-N 3.03Å; K915-V982 WeakPolarHBondContact CD-O 3.31Å; K915-V982 WeakPolarHBondContact CE-O 3.47Å; K915-V982 HydrophobicContact CG-CG1 4.28Å; K915-V982 PolarHBondContact NZ-O 3.02Å; K915-L983 PolarHBondContact NZ-O 3.24Å; K915-N985 VanDerWaalsContact CE-C 3.48Å; K915-N985 WeakPolarHBondContact CE-O 3.42Å; K915-N985 WeakPolarHBondContact CE-OXT 3.05Å; K915-N985 PolarHBondContact NZ-O 3.29Å; K915-N985 PolarHBondContact NZ-OXT 3.29Å |
| 916 | L | 86.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 173.4 | -70.9 | 169.1 | 0 | 0 | 0 | 111.6 | A912 G918 S919 I921 L951 Y979 V982 L983 | A912-L916 WeakPolarHBondContact O-CB 3.37Å; A912-L916 VanDerWaalsContact O-CG 3.24Å; A912-L916 WeakPolarHBondContact O-CG 3.1Å; A912-L916 PolarHBondContact O-N 3.41Å; L916-G918 VanDerWaalsContact C-N 3.27Å; L916-G918 PolarHBondContact O-N 2.73Å; L916-S919 CarbonylContact O-C 3.21Å; L916-S919 WeakPolarHBondContact O-CA 3.15Å; L916-S919 PolarHBondContact O-N 3.36Å; L916-I921 CarbonylContact C-O 3.59Å; L916-I921 HydrophobicContact CB-CB 3.98Å; L916-I921 HydrophobicContact CB-CG2 4.01Å; L916-I921 HydrophobicContact CD2-CD1 3.62Å; L916-I921 HydrophobicContact CD2-CG2 4.45Å; L916-I921 WeakPolarHBondContact O-CB 3.23Å; L916-I921 PolarHBondContact O-N 2.83Å; L916-I921 VanDerWaalsContact O-N 3.13Å; L916-L951 HydrophobicContact CD1-CD2 3.65Å; L916-Y979 HydrophobicContact CD1-CD1 4.48Å; L916-Y979 HydrophobicContact CD1-CE1 4.43Å; L916-Y979 HydrophobicContact CD2-CD1 4.1Å; L916-Y979 HydrophobicContact CD2-CE1 4.41Å; L916-Y979 HydrophobicContact CD2-CG 4.42Å; L916-V982 HydrophobicContact CD2-CB 4.39Å; L916-V982 HydrophobicContact CD2-CG1 4Å; L916-L983 HydrophobicContact CD1-CD1 4.47Å; L916-L983 HydrophobicContact CD1-CD2 4.08Å; L916-L983 HydrophobicContact CD2-CD1 4.47Å; L916-L983 HydrophobicContact CD2-CD2 4.32Å; L916-L983 HydrophobicContact CD2-CG 4.13Å; L916-L983 HydrophobicContact CG-CD2 4.03Å; L916-L983 HydrophobicContact CG-CG 4.4Å |
| 917 | Q | 85 | Confident | 85.7 | Confident | 102 Ų | 102 | 45.4 Ų | 45.4 | 48% | 0.477 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.6 | -34.1 | 175.7 | -174.9 | 176.6 | -21.1 | 0 | 0 | 112.6 | S913 N914 S919 N920 I921 F922 | S913-Q917 WeakPolarHBondContact O-CB 3.45Å; S913-Q917 PolarHBondContact O-N 3.46Å; N914-Q917 PolarHBondContact O-N 3.48Å; Q917-S919 PolarHBondContact O-N 3.35Å; Q917-S919 VanDerWaalsContact O-N 3.09Å; Q917-N920 PolarHBondContact O-N 3.47Å; Q917-N920 VanDerWaalsContact O-N 3.16Å; Q917-I921 VanDerWaalsContact CA-O 3.27Å; Q917-I921 WeakPolarHBondContact CA-O 3.31Å; Q917-I921 PolarHBondContact N-O 2.69Å; Q917-F922 HydrophobicContact CG-CD1 4.34Å; Q917-F922 HydrophobicContact CG-CE1 4.47Å |
| 918 | G | 80.8 | Confident | 85.9 | Confident | 43 Ų | 43 | 47.3 Ų | 47.3 | 44% | 0.443 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N914 K915 L916 | N914-G918 PolarHBondContact O-N 2.93Å; N914-G918 VanDerWaalsContact O-N 3.15Å; K915-G918 PolarHBondContact O-N 3.03Å; L916-G918 VanDerWaalsContact C-N 3.27Å; L916-G918 PolarHBondContact O-N 2.73Å |
| 919 | S | 82.1 | Confident | 85.6 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 12% | 0.119 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 24.7 | 176.6 | -54.4 | 0 | 0 | 0 | 0 | 112.8 | F874 L916 Q917 I921 V982 | F874-S919 WeakPolarHBondContact CD2-O 3.45Å; L916-S919 CarbonylContact O-C 3.21Å; L916-S919 WeakPolarHBondContact O-CA 3.15Å; L916-S919 PolarHBondContact O-N 3.36Å; Q917-S919 PolarHBondContact O-N 3.35Å; Q917-S919 VanDerWaalsContact O-N 3.09Å; S919-I921 VanDerWaalsContact C-N 3.28Å; S919-I921 PolarHBondContact O-N 3.37Å; S919-V982 WeakPolarHBondContact OG-CG2 3.48Å |
| 920 | N | 87.7 | Confident | 85.3 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 28 | -178.1 | -66.6 | -22.5 | 0 | 0 | 0 | 115.3 | F874 Q917 F922 | F874-N920 HydrophobicContact CB-CB 3.84Å; F874-N920 PolarHBondContact O-ND2 2.88Å; Q917-N920 PolarHBondContact O-N 3.47Å; Q917-N920 VanDerWaalsContact O-N 3.16Å; N920-F922 HydrophobicContact CB-CE2 3.99Å; N920-F922 HydrophobicContact CB-CZ 4.18Å; N920-F922 VanDerWaalsContact O-CD2 3.32Å; N920-F922 WeakPolarHBondContact O-CD2 3.23Å; N920-F922 VanDerWaalsContact O-CE2 3.22Å; N920-F922 WeakPolarHBondContact O-CE2 3.35Å |
| 921 | I | 90.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -102.8 | 110.6 | 170 | -61.9 | 164 | 0 | 0 | 0 | 108.1 | F874 L916 Q917 S919 Q937 T939 Y979 | F874-I921 HydrophobicContact CD2-CD1 4.33Å; F874-I921 HydrophobicContact CD2-CG1 3.89Å; F874-I921 HydrophobicContact CE2-CD1 3.97Å; F874-I921 HydrophobicContact CE2-CG1 3.93Å; L916-I921 CarbonylContact C-O 3.59Å; L916-I921 HydrophobicContact CB-CB 3.98Å; L916-I921 HydrophobicContact CB-CG2 4.01Å; L916-I921 HydrophobicContact CD2-CD1 3.62Å; L916-I921 HydrophobicContact CD2-CG2 4.45Å; L916-I921 WeakPolarHBondContact O-CB 3.23Å; L916-I921 PolarHBondContact O-N 2.83Å; L916-I921 VanDerWaalsContact O-N 3.13Å; Q917-I921 VanDerWaalsContact CA-O 3.27Å; Q917-I921 WeakPolarHBondContact CA-O 3.31Å; Q917-I921 PolarHBondContact N-O 2.69Å; S919-I921 VanDerWaalsContact C-N 3.28Å; S919-I921 PolarHBondContact O-N 3.37Å; I921-Q937 HydrophobicContact CG2-CB 4.22Å; I921-T939 HydrophobicContact CG1-CG2 4.27Å; I921-Y979 HydrophobicContact CD1-CD2 3.99Å; I921-Y979 HydrophobicContact CD1-CE2 3.74Å; I921-Y979 HydrophobicContact CG1-CE2 4.29Å; I921-Y979 HydrophobicContact CG2-CE1 4.16Å; I921-Y979 HydrophobicContact CG2-CE2 4.3Å; I921-Y979 WeakPolarHBondContact CG2-OH 3.45Å | ||
| 922 | F | 91.3 | Very high | 84.6 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.5 | -166 | -61.3 | -81.4 | 0 | 0 | 0 | 112.7 | E876 K879 Q917 N920 I924 Q937 S938 | E876-F922 WeakPolarHBondContact O-CZ 3.45Å; K879-F922 HydrophobicContact CB-CB 4.01Å; K879-F922 HydrophobicContact CB-CD1 4.07Å; K879-F922 HydrophobicContact CB-CD2 4.07Å; K879-F922 HydrophobicContact CB-CG 3.77Å; K879-F922 HydrophobicContact CD-CD1 4.47Å; K879-F922 HydrophobicContact CG-CB 4.09Å; K879-F922 HydrophobicContact CG-CD1 4.44Å; K879-F922 HydrophobicContact CG-CG 4.27Å; Q917-F922 HydrophobicContact CG-CD1 4.34Å; Q917-F922 HydrophobicContact CG-CE1 4.47Å; N920-F922 HydrophobicContact CB-CE2 3.99Å; N920-F922 HydrophobicContact CB-CZ 4.18Å; N920-F922 VanDerWaalsContact O-CD2 3.32Å; N920-F922 WeakPolarHBondContact O-CD2 3.23Å; N920-F922 VanDerWaalsContact O-CE2 3.22Å; N920-F922 WeakPolarHBondContact O-CE2 3.35Å; F922-I924 HydrophobicContact CB-CD1 4.18Å; F922-I924 WeakPolarHBondContact O-CD1 3.41Å; F922-I924 PolarHBondContact O-N 3.15Å; F922-Q937 CarbonylContact O-C 3.58Å; F922-Q937 WeakPolarHBondContact O-CA 3.23Å; F922-S938 PolarHBondContact N-O 3.29Å; F922-S938 PolarHBondContact O-N 2.94Å |
| 923 | T | 90.9 | Very high | 84.7 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 20% | 0.202 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 121.6 | 171.4 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | S913 L935 Q937 | S913-T923 WeakPolarHBondContact OG-CB 3.47Å; S913-T923 PolarHBondContact OG-OG1 3.13Å; T923-L935 HydrophobicContact CG2-CB 4.48Å; T923-L935 HydrophobicContact CG2-CD2 4.02Å; T923-Q937 PolarHBondContact OG1-NE2 2.88Å |
| 924 | I | 91.2 | Very high | 84.9 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -31.7 | -177.2 | -53.7 | -46 | 0 | 0 | 0 | 111.5 | K879 M880 R882 F885 F922 Y936 | K879-I924 HydrophobicContact CG-CD1 3.89Å; M880-I924 WeakPolarHBondContact O-CD1 3.38Å; R882-I924 HydrophobicContact CB-CG2 4.09Å; F885-I924 HydrophobicContact CB-CG2 4.33Å; F885-I924 HydrophobicContact CD2-CG1 4.33Å; F885-I924 HydrophobicContact CG-CG2 4.49Å; F922-I924 HydrophobicContact CB-CD1 4.18Å; F922-I924 WeakPolarHBondContact O-CD1 3.41Å; F922-I924 PolarHBondContact O-N 3.15Å; I924-Y936 PolarHBondContact N-O 3.26Å |
| 925 | A | 87.3 | Confident | 85.1 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 142.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y936 | A925-Y936 HydrophobicContact CB-CD2 4.23Å; A925-Y936 PolarHBondContact N-O 2.97Å; A925-Y936 PolarHBondContact O-N 2.87Å |
| 926 | K | 87.4 | Confident | 85.5 | Confident | 79 Ų | 79 | 48.5 Ų | 48.5 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 139.9 | 164.2 | -174.6 | 174.7 | -171.7 | -179.6 | 0 | 108.9 | S909 D910 D933 M934 L935 | S909-K926 WeakPolarHBondContact OG-CE 3.29Å; S909-K926 PolarHBondContact OG-NZ 3.46Å; D910-K926 IonicContact OD1-NZ 3.78Å; D910-K926 PolarHBondContact OD1-NZ 3.33Å; D910-K926 IonicContact OD2-NZ 3.65Å; D910-K926 PolarHBondContact OD2-NZ 2.96Å; K926-D933 WeakPolarHBondContact CE-OD1 3.36Å; K926-D933 WeakPolarHBondContact CE-OD2 3.23Å; K926-D933 IonicContact NZ-OD2 2.73Å; K926-D933 PolarHBondContact NZ-OD2 3.09Å; K926-M934 CarbonylContact C-O 3.58Å; K926-M934 WeakPolarHBondContact CA-O 3.43Å; K926-L935 HydrophobicContact CB-CD2 3.93Å; K926-L935 HydrophobicContact CD-CD2 4.06Å; K926-L935 HydrophobicContact CG-CD2 3.74Å |
| 927 | R | 87.6 | Confident | 85.9 | Confident | 155 Ų | 155 | 48.5 Ų | 48.5 | 59% | 0.585 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 120.7 | 172.4 | -175.8 | -169.5 | -179 | -173.5 | -1.7 | 109.5 | V929 M934 Y936 | R927-V929 HydrophobicContact CG-CG2 3.89Å; R927-M934 PolarHBondContact N-O 3.48Å; R927-M934 WeakPolarHBondContact O-CB 3.33Å; R927-M934 PolarHBondContact O-N 3.43Å; R927-Y936 HydrophobicContact CB-CE2 4.4Å |
| 928 | T | 83.8 | Confident | 86.3 | Confident | 92 Ų | 92 | 43.6 Ų | 43.6 | 56% | 0.564 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 131.8 | 171.7 | -41 | 0 | 0 | 0 | 0 | 109.8 | Q932 D933 | T928-Q932 CarbonylContact C-O 3.56Å; T928-Q932 WeakPolarHBondContact CA-O 3.36Å; T928-D933 WeakPolarHBondContact CB-OD1 3.27Å; T928-D933 WeakPolarHBondContact CG2-OD1 3.49Å; T928-D933 PolarHBondContact OG1-OD1 2.85Å |
| 929 | V | 78.1 | Confident | 86.9 | Confident | 42 Ų | 42 | 41.6 Ų | 41.6 | 26% | 0.255 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 127.9 | 176.4 | -173.2 | 0 | 0 | 0 | 0 | 107.7 | R927 G931 Q932 M934 | R927-V929 HydrophobicContact CG-CG2 3.89Å; V929-G931 PolarHBondContact O-N 3.26Å; V929-Q932 PolarHBondContact N-O 3.36Å; V929-Q932 PolarHBondContact O-N 2.9Å; V929-Q932 VanDerWaalsContact O-O 3.11Å; V929-M934 HydrophobicContact CB-SD 4.32Å; V929-M934 HydrophobicContact CG2-SD 3.85Å |
| 930 | D | 73.6 | Confident | 87.3 | Confident | 162 Ų | 162 | 42.4 Ų | 42.4 | 87% | 0.866 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 36 | 173.6 | -52.2 | -27.7 | 0 | 0 | 0 | 115.6 | Q932 | D930-Q932 VanDerWaalsContact C-N 3.33Š|
| 931 | G | 71.1 | Confident | 87.3 | Confident | 43 Ų | 43 | 41.2 Ų | 41.2 | 44% | 0.443 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | V929 T955 | V929-G931 PolarHBondContact O-N 3.26Å; G931-T955 PolarHBondContact O-OG1 3.49Å |
| 932 | Q | 82.2 | Confident | 87 | Confident | 66 Ų | 66 | 42.9 Ų | 42.9 | 31% | 0.308 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135.8 | 171.6 | -55 | -170.4 | -1.6 | 0 | 0 | 110.6 | T928 V929 D930 V953 Q954 | T928-Q932 CarbonylContact C-O 3.56Å; T928-Q932 WeakPolarHBondContact CA-O 3.36Å; V929-Q932 PolarHBondContact N-O 3.36Å; V929-Q932 PolarHBondContact O-N 2.9Å; V929-Q932 VanDerWaalsContact O-O 3.11Å; D930-Q932 VanDerWaalsContact C-N 3.33Å; Q932-V953 CarbonylContact C-O 3.44Å; Q932-V953 WeakPolarHBondContact CA-O 3.47Å; Q932-Q954 HydrophobicContact CG-CB 4.04Å; Q932-Q954 HydrophobicContact CG-CG 4.12Å |
| 933 | D | 87 | Confident | 86.6 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 10% | 0.102 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 120.6 | 169 | -89.8 | -25.7 | 0 | 0 | 0 | 109.9 | S909 K926 T928 V953 | S909-D933 VanDerWaalsContact CB-OD2 3.25Å; S909-D933 WeakPolarHBondContact CB-OD2 3.37Å; S909-D933 PolarHBondContact OG-OD2 3Å; K926-D933 WeakPolarHBondContact CE-OD1 3.36Å; K926-D933 WeakPolarHBondContact CE-OD2 3.23Å; K926-D933 IonicContact NZ-OD2 2.73Å; K926-D933 PolarHBondContact NZ-OD2 3.09Å; T928-D933 WeakPolarHBondContact CB-OD1 3.27Å; T928-D933 WeakPolarHBondContact CG2-OD1 3.49Å; T928-D933 PolarHBondContact OG1-OD1 2.85Å; D933-V953 HydrophobicContact CB-CB 4.44Å; D933-V953 PolarHBondContact N-O 2.95Å; D933-V953 PolarHBondContact O-N 2.94Å |
| 934 | M | 89.6 | Confident | 86.2 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 14% | 0.143 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.9 | 173.3 | -47.8 | -179.9 | 76.1 | 0 | 0 | 109 | K926 R927 V929 Y936 E950 R952 | K926-M934 CarbonylContact C-O 3.58Å; K926-M934 WeakPolarHBondContact CA-O 3.43Å; R927-M934 PolarHBondContact N-O 3.48Å; R927-M934 WeakPolarHBondContact O-CB 3.33Å; R927-M934 PolarHBondContact O-N 3.43Å; V929-M934 HydrophobicContact CB-SD 4.32Å; V929-M934 HydrophobicContact CG2-SD 3.85Å; M934-Y936 HydrophobicContact CB-CE2 4.15Å; M934-Y936 VanDerWaalsContact CE-OH 3.29Å; M934-Y936 WeakPolarHBondContact CE-OH 3.45Å; M934-E950 HydrophobicContact CE-CG 4.28Å; M934-E950 WeakPolarHBondContact CE-OE1 3.5Å; M934-E950 WeakPolarHBondContact CE-OE2 3.46Å; M934-R952 HydrophobicContact CE-CG 4.32Å; M934-R952 HydrophobicContact CG-CG 4.37Å |
| 935 | L | 90.6 | Very high | 86 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 111.2 | 177.5 | -62.6 | 170.8 | 0 | 0 | 0 | 109 | T923 K926 Q937 E950 L951 V953 | T923-L935 HydrophobicContact CG2-CB 4.48Å; T923-L935 HydrophobicContact CG2-CD2 4.02Å; K926-L935 HydrophobicContact CB-CD2 3.93Å; K926-L935 HydrophobicContact CD-CD2 4.06Å; K926-L935 HydrophobicContact CG-CD2 3.74Å; L935-Q937 HydrophobicContact CB-CG 4.23Å; L935-E950 WeakPolarHBondContact O-CA 3.21Å; L935-L951 HydrophobicContact CB-CB 4.21Å; L935-L951 HydrophobicContact CD1-CD2 3.93Å; L935-L951 HydrophobicContact CD1-CG 4.26Å; L935-L951 PolarHBondContact N-O 2.76Å; L935-L951 PolarHBondContact O-N 3.01Å; L935-V953 HydrophobicContact CD1-CG2 4.48Å |
| 936 | Y | 92.6 | Very high | 86.1 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 17% | 0.169 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 120.3 | 173.5 | -65.1 | -77.4 | 0 | 0 | 0 | 109 | F885 I924 A925 R927 M934 A949 E950 | F885-Y936 AromaticContact CE1-CD1 3.93Å; F885-Y936 HydrophobicContact CE1-CD1 3.93Å; F885-Y936 HydrophobicContact CE1-CG 4.23Å; F885-Y936 HydrophobicContact CZ-CD1 4.14Å; F885-Y936 HydrophobicContact CZ-CG 4.46Å; I924-Y936 PolarHBondContact N-O 3.26Å; A925-Y936 HydrophobicContact CB-CD2 4.23Å; A925-Y936 PolarHBondContact N-O 2.97Å; A925-Y936 PolarHBondContact O-N 2.87Å; R927-Y936 HydrophobicContact CB-CE2 4.4Å; M934-Y936 HydrophobicContact CB-CE2 4.15Å; M934-Y936 VanDerWaalsContact CE-OH 3.29Å; M934-Y936 WeakPolarHBondContact CE-OH 3.45Å; Y936-A949 WeakPolarHBondContact CA-O 3.22Å; Y936-E950 HydrophobicContact CD1-CB 4.3Å; Y936-E950 HydrophobicContact CD1-CG 4.2Å; Y936-E950 HydrophobicContact CE1-CB 4.14Å; Y936-E950 HydrophobicContact CE1-CG 3.73Å; Y936-E950 WeakPolarHBondContact CE1-OE2 3.42Å; Y936-E950 VanDerWaalsContact CZ-OE2 3.3Å; Y936-E950 PolarHBondContact OH-OE2 3.05Å |
| 937 | Q | 93.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 146.9 | -169.9 | -42.9 | -173.8 | -83.5 | 0 | 0 | 111.5 | F885 I921 F922 T923 L935 A949 | F885-Q937 WeakPolarHBondContact CE2-O 3.36Å; I921-Q937 HydrophobicContact CG2-CB 4.22Å; F922-Q937 CarbonylContact O-C 3.58Å; F922-Q937 WeakPolarHBondContact O-CA 3.23Å; T923-Q937 PolarHBondContact OG1-NE2 2.88Å; L935-Q937 HydrophobicContact CB-CG 4.23Å; Q937-A949 HydrophobicContact CB-CB 4.34Å; Q937-A949 PolarHBondContact N-O 3.35Å; Q937-A949 PolarHBondContact O-N 2.95Å |
| 938 | S | 93.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.1 | 174 | 67.9 | 0 | 0 | 0 | 0 | 111.6 | G878 M880 F922 | G878-S938 CarbonylContact O-C 3.58Å; G878-S938 PolarHBondContact O-OG 3.38Å; M880-S938 PolarHBondContact N-OG 3.08Å; F922-S938 PolarHBondContact N-O 3.29Å; F922-S938 PolarHBondContact O-N 2.94Å |
| 939 | T | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 145.9 | 175.7 | -49.7 | 0 | 0 | 0 | 0 | 108.7 | F874 I921 V947 | F874-T939 HydrophobicContact CB-CG2 3.99Å; F874-T939 HydrophobicContact CD1-CG2 3.59Å; F874-T939 HydrophobicContact CD2-CG2 3.57Å; F874-T939 HydrophobicContact CE1-CG2 3.91Å; F874-T939 HydrophobicContact CE2-CG2 3.89Å; F874-T939 HydrophobicContact CG-CG2 3.43Å; F874-T939 VanDerWaalsContact CG-CG2 3.43Å; F874-T939 HydrophobicContact CZ-CG2 4.06Å; I921-T939 HydrophobicContact CG1-CG2 4.27Å; T939-V947 PolarHBondContact N-O 3.24Å; T939-V947 PolarHBondContact O-N 2.66Å |
| 940 | K | 90.6 | Very high | 87.8 | Confident | 35 Ų | 35 | 33.2 Ų | 33.2 | 15% | 0.152 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 130.4 | 179.3 | -174 | -178 | -172.6 | 172.3 | 0 | 109 | F874 V875 D877 I945 W946 | F874-K940 WeakPolarHBondContact CA-O 3.28Å; V875-K940 HydrophobicContact CG2-CB 3.84Å; V875-K940 HydrophobicContact CG2-CD 3.8Å; V875-K940 HydrophobicContact CG2-CG 3.83Å; V875-K940 PolarHBondContact N-O 3.46Å; D877-K940 WeakPolarHBondContact O-CD 3.35Å; D877-K940 IonicContact OD2-NZ 3.82Å; D877-K940 PolarHBondContact OD2-NZ 3.19Å; K940-I945 WeakPolarHBondContact CA-O 3.36Å; K940-W946 HydrophobicContact CB-CD2 4.25Å; K940-W946 HydrophobicContact CB-CE3 3.86Å; K940-W946 HydrophobicContact CB-CH2 4.44Å; K940-W946 HydrophobicContact CB-CZ3 3.97Å; K940-W946 HydrophobicContact CD-CD2 4.32Å; K940-W946 HydrophobicContact CD-CE3 4.42Å; K940-W946 HydrophobicContact CD-CH2 3.84Å; K940-W946 HydrophobicContact CD-CZ2 3.69Å; K940-W946 HydrophobicContact CD-CZ3 4.19Å; K940-W946 HydrophobicContact CG-CD2 4.16Å; K940-W946 HydrophobicContact CG-CE3 4.26Å; K940-W946 HydrophobicContact CG-CZ2 4.43Å; K940-W946 HydrophobicContact CG-CZ3 4.45Å |
| 941 | L | 88.8 | Confident | 88.6 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -87.4 | 158.9 | 176.5 | -71.8 | 77.9 | 0 | 0 | 0 | 110.2 | F810 I870 L873 F874 N943 G944 I945 V947 V971 | F810-L941 HydrophobicContact CD1-CD2 4.38Å; F810-L941 HydrophobicContact CE1-CD2 3.56Å; F810-L941 HydrophobicContact CZ-CD2 4.13Å; I870-L941 HydrophobicContact CD1-CD2 4.27Å; I870-L941 HydrophobicContact CG1-CD2 4.03Å; L873-L941 CarbonylContact O-C 3.53Å; L873-L941 WeakPolarHBondContact O-CA 3.41Å; F874-L941 HydrophobicContact CD1-CD1 4.44Å; F874-L941 HydrophobicContact CD1-CG 4.2Å; F874-L941 HydrophobicContact CE1-CD1 4.26Å; F874-L941 HydrophobicContact CE1-CG 4.2Å; L941-N943 WeakPolarHBondContact CB-OD1 3.4Å; L941-N943 PolarHBondContact O-N 2.71Å; L941-N943 VanDerWaalsContact O-N 3.11Å; L941-G944 PolarHBondContact O-N 3.41Å; L941-I945 PolarHBondContact N-O 3.28Å; L941-V947 HydrophobicContact CD1-CG2 3.78Å; L941-V971 HydrophobicContact CD1-CG1 4.5Å; L941-V971 HydrophobicContact CD2-CG1 3.9Å |
| 942 | S | 83.9 | Confident | 89.5 | Confident | 36 Ų | 36 | 26.5 Ų | 26.5 | 25% | 0.252 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25.8 | 179.2 | 56 | 0 | 0 | 0 | 0 | 114.7 | L873 G944 | L873-S942 PolarHBondContact O-N 2.96Å; S942-G944 VanDerWaalsContact C-N 3.29Å |
| 943 | N | 81.9 | Confident | 89.7 | Confident | 76 Ų | 76 | 23.9 Ų | 23.9 | 41% | 0.406 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 5.7 | 175.2 | 67.9 | -4.7 | 0 | 0 | 0 | 114.1 | F810 L941 I945 | F810-N943 WeakPolarHBondContact CD1-ND2 3.48Å; F810-N943 WeakPolarHBondContact CE1-ND2 3.35Å; L941-N943 WeakPolarHBondContact CB-OD1 3.4Å; L941-N943 PolarHBondContact O-N 2.71Å; L941-N943 VanDerWaalsContact O-N 3.11Å; N943-I945 WeakPolarHBondContact ND2-CD1 3.3Å; N943-I945 WeakPolarHBondContact OD1-CB 3.26Å; N943-I945 WeakPolarHBondContact OD1-CG1 3.42Å; N943-I945 PolarHBondContact OD1-N 3.2Å |
| 944 | G | 83.6 | Confident | 89.5 | Confident | 40 Ų | 40 | 26.8 Ų | 26.8 | 41% | 0.412 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 85 | 0.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L941 S942 W946 | L941-G944 PolarHBondContact O-N 3.41Å; S942-G944 VanDerWaalsContact C-N 3.29Å; G944-W946 PolarHBondContact O-N 2.85Å |
| 945 | I | 87.1 | Confident | 88.4 | Confident | 45 Ų | 45 | 31.2 Ų | 31.2 | 23% | 0.231 | 17% | 0.165 | C | C | . | . | trans | -66.7 | 128.1 | 173.1 | -64.1 | 177.9 | 0 | 0 | 0 | 109.5 | K940 L941 N943 V947 A968 V971 | K940-I945 WeakPolarHBondContact CA-O 3.36Å; L941-I945 PolarHBondContact N-O 3.28Å; N943-I945 WeakPolarHBondContact ND2-CD1 3.3Å; N943-I945 WeakPolarHBondContact OD1-CB 3.26Å; N943-I945 WeakPolarHBondContact OD1-CG1 3.42Å; N943-I945 PolarHBondContact OD1-N 3.2Å; I945-V947 HydrophobicContact CG2-CG2 4.36Å; I945-A968 HydrophobicContact CD1-CB 4.4Å; I945-V971 HydrophobicContact CD1-CG2 4.3Å | ||
| 946 | W | 89.7 | Confident | 87.3 | Confident | 80 Ų | 80 | 35.2 Ų | 35.2 | 30% | 0.303 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 134.1 | 170.6 | -69 | 95.1 | 0 | 0 | 0 | 110.4 | D877 M880 K940 G944 | D877-W946 WeakPolarHBondContact O-CH2 3.44Å; M880-W946 HydrophobicContact CB-CZ3 4.16Å; M880-W946 HydrophobicContact CE-CB 4.46Å; M880-W946 HydrophobicContact CE-CD2 3.49Å; M880-W946 VanDerWaalsContact CE-CD2 3.49Å; M880-W946 HydrophobicContact CE-CE3 3.31Å; M880-W946 HydrophobicContact CE-CG 4.04Å; M880-W946 HydrophobicContact CE-CH2 4.11Å; M880-W946 HydrophobicContact CE-CZ2 4.28Å; M880-W946 HydrophobicContact CE-CZ3 3.64Å; K940-W946 HydrophobicContact CB-CD2 4.25Å; K940-W946 HydrophobicContact CB-CE3 3.86Å; K940-W946 HydrophobicContact CB-CH2 4.44Å; K940-W946 HydrophobicContact CB-CZ3 3.97Å; K940-W946 HydrophobicContact CD-CD2 4.32Å; K940-W946 HydrophobicContact CD-CE3 4.42Å; K940-W946 HydrophobicContact CD-CH2 3.84Å; K940-W946 HydrophobicContact CD-CZ2 3.69Å; K940-W946 HydrophobicContact CD-CZ3 4.19Å; K940-W946 HydrophobicContact CG-CD2 4.16Å; K940-W946 HydrophobicContact CG-CE3 4.26Å; K940-W946 HydrophobicContact CG-CZ2 4.43Å; K940-W946 HydrophobicContact CG-CZ3 4.45Å; G944-W946 PolarHBondContact O-N 2.85Å |
| 947 | V | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.3 | 170.7 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | T939 L941 I945 L964 C966 V971 V975 | T939-V947 PolarHBondContact N-O 3.24Å; T939-V947 PolarHBondContact O-N 2.66Å; L941-V947 HydrophobicContact CD1-CG2 3.78Å; I945-V947 HydrophobicContact CG2-CG2 4.36Å; V947-L964 HydrophobicContact CG1-CD2 4.32Å; V947-C966 HydrophobicContact CG2-CB 4.3Å; V947-V971 HydrophobicContact CG2-CG1 4.36Å; V947-V975 HydrophobicContact CG1-CG1 4.25Å; V947-V975 HydrophobicContact CG2-CG2 4.38Å |
| 948 | L | 93.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 142.5 | 175.5 | -49.6 | -175.7 | 0 | 0 | 0 | 108.7 | M880 F885 T888 W889 I892 K965 | M880-L948 HydrophobicContact CE-CD2 3.96Å; M880-L948 HydrophobicContact SD-CD2 4.12Å; F885-L948 HydrophobicContact CD2-CD1 4.41Å; F885-L948 HydrophobicContact CD2-CD2 3.89Å; F885-L948 HydrophobicContact CE2-CB 3.94Å; F885-L948 HydrophobicContact CE2-CD1 4.26Å; F885-L948 HydrophobicContact CE2-CD2 3.85Å; F885-L948 HydrophobicContact CE2-CG 4.23Å; F885-L948 HydrophobicContact CZ-CB 4.31Å; T888-L948 HydrophobicContact CG2-CD1 3.94Å; W889-L948 HydrophobicContact CB-CD1 4.14Å; W889-L948 HydrophobicContact CE3-CB 3.64Å; W889-L948 HydrophobicContact CE3-CD1 3.96Å; W889-L948 HydrophobicContact CE3-CG 4.48Å; W889-L948 HydrophobicContact CZ3-CB 3.72Å; I892-L948 HydrophobicContact CD1-CD1 4.39Å; L948-K965 PolarHBondContact N-O 2.9Å; L948-K965 PolarHBondContact O-N 3.09Å |
| 949 | A | 93.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y936 Q937 C963 L964 Y979 | Y936-A949 WeakPolarHBondContact CA-O 3.22Å; Q937-A949 HydrophobicContact CB-CB 4.34Å; Q937-A949 PolarHBondContact N-O 3.35Å; Q937-A949 PolarHBondContact O-N 2.95Å; A949-C963 CarbonylContact C-O 3.54Å; A949-C963 VanDerWaalsContact CA-O 3.27Å; A949-C963 WeakPolarHBondContact CA-O 3.24Å; A949-L964 HydrophobicContact CB-CD2 3.59Å; A949-Y979 HydrophobicContact CB-CE1 4.15Å; A949-Y979 VanDerWaalsContact CB-OH 3.24Å; A949-Y979 WeakPolarHBondContact CB-OH 3.18Å |
| 950 | E | 92.8 | Very high | 85.1 | Confident | 22 Ų | 22 | 40 Ų | 40 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 110.5 | 159.2 | -175 | -169.9 | 93.1 | 0 | 0 | 108.2 | W889 M934 L935 Y936 R952 V962 C963 | W889-E950 HydrophobicContact CH2-CB 3.8Å; W889-E950 HydrophobicContact CZ2-CB 4.33Å; M934-E950 HydrophobicContact CE-CG 4.28Å; M934-E950 WeakPolarHBondContact CE-OE1 3.5Å; M934-E950 WeakPolarHBondContact CE-OE2 3.46Å; L935-E950 WeakPolarHBondContact O-CA 3.21Å; Y936-E950 HydrophobicContact CD1-CB 4.3Å; Y936-E950 HydrophobicContact CD1-CG 4.2Å; Y936-E950 HydrophobicContact CE1-CB 4.14Å; Y936-E950 HydrophobicContact CE1-CG 3.73Å; Y936-E950 WeakPolarHBondContact CE1-OE2 3.42Å; Y936-E950 VanDerWaalsContact CZ-OE2 3.3Å; Y936-E950 PolarHBondContact OH-OE2 3.05Å; E950-R952 HydrophobicContact CG-CG 4.34Å; E950-R952 WeakPolarHBondContact OE1-CD 3.44Å; E950-R952 IonicContact OE1-CZ 3.78Å; E950-R952 IonicContact OE1-NE 3.75Å; E950-R952 PolarHBondContact OE1-NE 2.85Å; E950-R952 IonicContact OE1-NH2 2.61Å; E950-V962 WeakPolarHBondContact O-CA 3.31Å; E950-C963 HydrophobicContact CB-CB 4.33Å; E950-C963 PolarHBondContact N-O 3.26Å; E950-C963 PolarHBondContact O-N 2.61Å |
| 951 | L | 90.7 | Very high | 85 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 113.9 | 174.6 | 163.4 | 61.7 | 0 | 0 | 0 | 108.9 | L916 L935 V953 F960 T961 V962 | L916-L951 HydrophobicContact CD1-CD2 3.65Å; L935-L951 HydrophobicContact CB-CB 4.21Å; L935-L951 HydrophobicContact CD1-CD2 3.93Å; L935-L951 HydrophobicContact CD1-CG 4.26Å; L935-L951 PolarHBondContact N-O 2.76Å; L935-L951 PolarHBondContact O-N 3.01Å; L951-V953 HydrophobicContact CD1-CG2 4.12Å; L951-V953 HydrophobicContact CG-CG2 4.09Å; L951-F960 HydrophobicContact CD1-CB 3.87Å; L951-F960 HydrophobicContact CD1-CD2 3.85Å; L951-F960 HydrophobicContact CD1-CG 4.19Å; L951-T961 CarbonylContact C-O 3.59Å; L951-T961 WeakPolarHBondContact CA-O 3.44Å; L951-V962 HydrophobicContact CD1-CG2 3.91Å |
| 952 | R | 90 | Very high | 85.2 | Confident | 64 Ų | 64 | 39.4 Ų | 39.4 | 24% | 0.242 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.5 | 176.5 | -68.9 | -178.2 | -112.2 | 145.6 | 3.8 | 110.4 | M934 E950 T961 C963 | M934-R952 HydrophobicContact CE-CG 4.32Å; M934-R952 HydrophobicContact CG-CG 4.37Å; E950-R952 HydrophobicContact CG-CG 4.34Å; E950-R952 WeakPolarHBondContact OE1-CD 3.44Å; E950-R952 IonicContact OE1-CZ 3.78Å; E950-R952 IonicContact OE1-NE 3.75Å; E950-R952 PolarHBondContact OE1-NE 2.85Å; E950-R952 IonicContact OE1-NH2 2.61Å; R952-T961 PolarHBondContact N-O 3.05Å; R952-T961 PolarHBondContact O-N 2.88Å; R952-C963 PolarHBondContact NH2-SG 2.73Å |
| 953 | V | 86.7 | Confident | 85.5 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 117.4 | -179.3 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | Q932 D933 L935 L951 F960 | Q932-V953 CarbonylContact C-O 3.44Å; Q932-V953 WeakPolarHBondContact CA-O 3.47Å; D933-V953 HydrophobicContact CB-CB 4.44Å; D933-V953 PolarHBondContact N-O 2.95Å; D933-V953 PolarHBondContact O-N 2.94Å; L935-V953 HydrophobicContact CD1-CG2 4.48Å; L951-V953 HydrophobicContact CD1-CG2 4.12Å; L951-V953 HydrophobicContact CG-CG2 4.09Å; V953-F960 HydrophobicContact CB-CE1 4.41Å; V953-F960 HydrophobicContact CG1-CD1 4.25Å; V953-F960 HydrophobicContact CG1-CE1 3.72Å; V953-F960 HydrophobicContact CG1-CZ 3.97Å; V953-F960 HydrophobicContact CG2-CD1 4.17Å; V953-F960 HydrophobicContact CG2-CD2 4Å; V953-F960 HydrophobicContact CG2-CE1 4.15Å; V953-F960 HydrophobicContact CG2-CE2 3.96Å; V953-F960 HydrophobicContact CG2-CG 4.11Å; V953-F960 HydrophobicContact CG2-CZ 4.04Å |
| 954 | Q | 81.3 | Confident | 86.1 | Confident | 81 Ų | 81 | 34 Ų | 34 | 38% | 0.379 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 127.9 | 178.6 | 178.5 | 175.8 | 42.3 | 0 | 0 | 110.9 | Q932 G956 N957 | Q932-Q954 HydrophobicContact CG-CB 4.04Å; Q932-Q954 HydrophobicContact CG-CG 4.12Å; Q954-G956 PolarHBondContact O-N 3.04Å; Q954-G956 VanDerWaalsContact O-N 3.15Å; Q954-N957 HydrophobicContact CB-CB 4.04Å; Q954-N957 HydrophobicContact CG-CB 4.1Å; Q954-N957 PolarHBondContact O-N 2.83Å; Q954-N957 VanDerWaalsContact O-N 3.13Å; Q954-N957 PolarHBondContact OE1-ND2 2.84Å |
| 955 | T | 67.6 | Low | 86.5 | Confident | 121 Ų | 121 | 32.2 Ų | 32.2 | 74% | 0.742 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 117.4 | -178.2 | -50.5 | 0 | 0 | 0 | 0 | 111 | G931 | G931-T955 PolarHBondContact O-OG1 3.49Š|
| 956 | G | 66.5 | Low | 86.6 | Confident | 86 Ų | 86 | 30.1 Ų | 30.1 | 89% | 0.887 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -2.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | Q954 | Q954-G956 PolarHBondContact O-N 3.04Å; Q954-G956 VanDerWaalsContact O-N 3.15Å |
| 957 | N | 75.9 | Confident | 86.3 | Confident | 57 Ų | 57 | 34.7 Ų | 34.7 | 31% | 0.305 | 19% | 0.194 | S | C | . | . | trans | -105.8 | 124.1 | 174.4 | -177.1 | -9.9 | 0 | 0 | 0 | 109.6 | Q954 T959 | Q954-N957 HydrophobicContact CB-CB 4.04Å; Q954-N957 HydrophobicContact CG-CB 4.1Å; Q954-N957 PolarHBondContact O-N 2.83Å; Q954-N957 VanDerWaalsContact O-N 3.13Å; Q954-N957 PolarHBondContact OE1-ND2 2.84Å; N957-T959 PolarHBondContact O-N 3Å; N957-T959 VanDerWaalsContact OD1-CB 3.31Å; N957-T959 WeakPolarHBondContact OD1-CB 3.27Å; N957-T959 PolarHBondContact OD1-N 2.72Å; N957-T959 PolarHBondContact OD1-OG1 3.01Å; N957-T959 VanDerWaalsContact OD1-OG1 3.09Å | ||
| 958 | P | 78.3 | Confident | 86 | Confident | 46 Ų | 46 | 36 Ų | 36 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -74.3 | 3.2 | 178.1 | 32.4 | -36.7 | 0 | 0 | 0 | 113.9 | D904 C905 | D904-P958 PolarHBondContact N-O 3.48Å; D904-P958 VanDerWaalsContact N-O 3.11Å; C905-P958 PolarHBondContact N-O 2.89Å |
| 959 | T | 84.3 | Confident | 85.5 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | trans | -98.4 | 117.8 | 177.6 | -43.8 | 0 | 0 | 0 | 0 | 110.8 | Q901 I902 K903 N957 | Q901-T959 HydrophobicContact CB-CG2 4.21Å; I902-T959 CarbonylContact O-C 3.57Å; I902-T959 WeakPolarHBondContact O-CA 3.14Å; K903-T959 HydrophobicContact CG-CG2 4.26Å; N957-T959 PolarHBondContact O-N 3Å; N957-T959 VanDerWaalsContact OD1-CB 3.31Å; N957-T959 WeakPolarHBondContact OD1-CB 3.27Å; N957-T959 PolarHBondContact OD1-N 2.72Å; N957-T959 PolarHBondContact OD1-OG1 3.01Å; N957-T959 VanDerWaalsContact OD1-OG1 3.09Å | ||
| 960 | F | 87.9 | Confident | 85 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 145.2 | 170.7 | -68.9 | 8.2 | 0 | 0 | 0 | 109.6 | Q901 I902 C905 L907 A912 L951 V953 L983 | Q901-F960 CarbonylContact C-O 3.44Å; Q901-F960 WeakPolarHBondContact CA-O 3.38Å; I902-F960 HydrophobicContact CB-CB 4.46Å; I902-F960 PolarHBondContact N-O 3.46Å; I902-F960 PolarHBondContact O-N 3.08Å; C905-F960 HydrophobicContact CB-CD1 4.12Å; C905-F960 HydrophobicContact CB-CD2 4.1Å; C905-F960 HydrophobicContact CB-CE1 3.98Å; C905-F960 HydrophobicContact CB-CE2 3.99Å; C905-F960 HydrophobicContact CB-CG 4.17Å; C905-F960 HydrophobicContact CB-CZ 3.92Å; L907-F960 HydrophobicContact CB-CE2 4.48Å; L907-F960 HydrophobicContact CB-CZ 4.15Å; L907-F960 WeakPolarHBondContact O-CZ 3.47Å; A912-F960 HydrophobicContact CB-CE2 4.07Å; L951-F960 HydrophobicContact CD1-CB 3.87Å; L951-F960 HydrophobicContact CD1-CD2 3.85Å; L951-F960 HydrophobicContact CD1-CG 4.19Å; V953-F960 HydrophobicContact CB-CE1 4.41Å; V953-F960 HydrophobicContact CG1-CD1 4.25Å; V953-F960 HydrophobicContact CG1-CE1 3.72Å; V953-F960 HydrophobicContact CG1-CZ 3.97Å; V953-F960 HydrophobicContact CG2-CD1 4.17Å; V953-F960 HydrophobicContact CG2-CD2 4Å; V953-F960 HydrophobicContact CG2-CE1 4.15Å; V953-F960 HydrophobicContact CG2-CE2 3.96Å; V953-F960 HydrophobicContact CG2-CG 4.11Å; V953-F960 HydrophobicContact CG2-CZ 4.04Å; F960-L983 HydrophobicContact CD2-CD1 4.13Å; F960-L983 HydrophobicContact CE2-CD2 4.39Å |
| 961 | T | 89.4 | Confident | 84.6 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.9 | 173.6 | -64.5 | 0 | 0 | 0 | 0 | 109.7 | Q899 F900 L951 R952 | Q899-T961 HydrophobicContact CG-CG2 3.84Å; F900-T961 WeakPolarHBondContact O-CA 3.42Å; L951-T961 CarbonylContact C-O 3.59Å; L951-T961 WeakPolarHBondContact CA-O 3.44Å; R952-T961 PolarHBondContact N-O 3.05Å; R952-T961 PolarHBondContact O-N 2.88Å |
| 962 | V | 92.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 114.2 | 178.7 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | F900 I902 E950 L951 L964 Y979 | F900-V962 PolarHBondContact N-O 3.02Å; F900-V962 PolarHBondContact O-N 3.17Å; I902-V962 HydrophobicContact CD1-CG2 3.84Å; I902-V962 HydrophobicContact CG1-CG2 4.32Å; E950-V962 WeakPolarHBondContact O-CA 3.31Å; L951-V962 HydrophobicContact CD1-CG2 3.91Å; V962-L964 HydrophobicContact CG1-CD2 3.69Å; V962-L964 HydrophobicContact CG1-CG 3.97Å; V962-Y979 HydrophobicContact CG1-CD1 4.1Å; V962-Y979 HydrophobicContact CG1-CE1 4.3Å; V962-Y979 HydrophobicContact CG2-CD1 4.35Å |
| 963 | C | 91.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 125.9 | 163.6 | -74.2 | 0 | 0 | 0 | 0 | 109.2 | E897 A949 E950 R952 | E897-C963 HydrophobicContact CG-CB 4.31Å; E897-C963 WeakPolarHBondContact OE1-CB 3.41Å; E897-C963 PolarHBondContact OE1-SG 3.11Å; A949-C963 CarbonylContact C-O 3.54Å; A949-C963 VanDerWaalsContact CA-O 3.27Å; A949-C963 WeakPolarHBondContact CA-O 3.24Å; E950-C963 HydrophobicContact CB-CB 4.33Å; E950-C963 PolarHBondContact N-O 3.26Å; E950-C963 PolarHBondContact O-N 2.61Å; R952-C963 PolarHBondContact NH2-SG 2.73Å |
| 964 | L | 93.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.6 | 174.2 | -62.7 | -179.4 | 0 | 0 | 0 | 110.2 | E897 A898 F900 V947 A949 V962 S972 V975 F976 Y979 | E897-L964 WeakPolarHBondContact CA-O 3.47Å; A898-L964 PolarHBondContact N-O 2.61Å; A898-L964 PolarHBondContact O-N 3.21Å; F900-L964 HydrophobicContact CD2-CD1 4.34Å; F900-L964 HydrophobicContact CE2-CD1 4.08Å; F900-L964 HydrophobicContact CE2-CG 4.5Å; V947-L964 HydrophobicContact CG1-CD2 4.32Å; A949-L964 HydrophobicContact CB-CD2 3.59Å; V962-L964 HydrophobicContact CG1-CD2 3.69Å; V962-L964 HydrophobicContact CG1-CG 3.97Å; L964-S972 WeakPolarHBondContact CD1-O 3.29Å; L964-V975 HydrophobicContact CD1-CB 4.16Å; L964-V975 HydrophobicContact CD1-CG1 4.01Å; L964-V975 HydrophobicContact CD2-CG1 4.43Å; L964-F976 HydrophobicContact CD1-CB 4.02Å; L964-Y979 HydrophobicContact CD2-CE2 4.43Å |
| 965 | K | 91.6 | Very high | 84.6 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.4 | 169.2 | -79.8 | -161.7 | 170.3 | -156.8 | 0 | 110.2 | W889 I892 N894 E897 L948 | W889-K965 HydrophobicContact CD2-CD 4.2Å; W889-K965 HydrophobicContact CH2-CD 4.47Å; W889-K965 HydrophobicContact CH2-CG 4.34Å; W889-K965 HydrophobicContact CZ2-CD 4.17Å; W889-K965 HydrophobicContact CZ2-CG 4.44Å; W889-K965 HydrophobicContact CZ3-CB 4.42Å; W889-K965 PolarHBondContact O-NZ 3.31Å; I892-K965 HydrophobicContact CB-CD 4.4Å; I892-K965 HydrophobicContact CD1-CB 4.48Å; I892-K965 HydrophobicContact CG2-CB 4.17Å; I892-K965 HydrophobicContact CG2-CD 4.26Å; I892-K965 HydrophobicContact CG2-CG 4.49Å; I892-K965 PolarHBondContact O-NZ 3.46Å; N894-K965 PolarHBondContact OD1-NZ 3.23Å; E897-K965 HydrophobicContact CB-CG 3.96Å; E897-K965 HydrophobicContact CG-CG 3.88Å; E897-K965 WeakPolarHBondContact OE2-CE 3.49Å; E897-K965 IonicContact OE2-NZ 2.73Å; L948-K965 PolarHBondContact N-O 2.9Å; L948-K965 PolarHBondContact O-N 3.09Å |
| 966 | C | 89.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 146.5 | 179 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | N896 V947 A968 | N896-C966 WeakPolarHBondContact CB-O 3.43Å; V947-C966 HydrophobicContact CG2-CB 4.3Å; C966-A968 PolarHBondContact O-N 3.19Å; C966-A968 PolarHBondContact SG-N 3.43Å; C966-A968 PolarHBondContact SG-O 3.38Å |
| 967 | R | 85.2 | Confident | 86.6 | Confident | 176 Ų | 176 | 38.6 Ų | 38.6 | 66% | 0.664 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -71.7 | -9.5 | 169.9 | -70.8 | -175 | 175.6 | 178.4 | -4.5 | 113.5 | D891 I892 | D891-R967 IonicContact OD1-NH2 2.73Å; D891-R967 PolarHBondContact OD1-NH2 3.04Å; D891-R967 IonicContact OD2-CZ 3.22Å; D891-R967 IonicContact OD2-NE 2.78Å; D891-R967 PolarHBondContact OD2-NE 2.86Å; D891-R967 IonicContact OD2-NH2 2.96Å; D891-R967 PolarHBondContact OD2-NH2 3.4Å; I892-R967 HydrophobicContact CD1-CG 4.24Å; I892-R967 HydrophobicContact CG1-CG 3.9Å |
| 968 | A | 85.1 | Confident | 87.2 | Confident | 29 Ų | 29 | 36.1 Ų | 36.1 | 24% | 0.24 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -125 | 91.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | I945 C966 E970 V971 | I945-A968 HydrophobicContact CD1-CB 4.4Å; C966-A968 PolarHBondContact O-N 3.19Å; C966-A968 PolarHBondContact SG-N 3.43Å; C966-A968 PolarHBondContact SG-O 3.38Å; A968-E970 PolarHBondContact O-N 3.04Å; A968-V971 HydrophobicContact CB-CG2 4.09Å; A968-V971 WeakPolarHBondContact O-CB 3.18Å; A968-V971 PolarHBondContact O-N 2.95Å; A968-V971 VanDerWaalsContact O-N 3.14Å |
| 969 | P | 82 | Confident | 87.6 | Confident | 64 Ų | 64 | 34 Ų | 34 | 42% | 0.416 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.2 | -170.4 | 24.7 | -34.8 | 0 | 0 | 0 | 113.2 | N896 V971 S972 | N896-P969 WeakPolarHBondContact OD1-CG 3.29Å; P969-V971 PolarHBondContact O-N 3.42Å; P969-V971 VanDerWaalsContact O-N 3.14Å; P969-S972 VanDerWaalsContact O-CB 3.25Å; P969-S972 WeakPolarHBondContact O-CB 3.29Å; P969-S972 PolarHBondContact O-N 3.26Å; P969-S972 PolarHBondContact O-OG 2.94Å |
| 970 | E | 82.7 | Confident | 87.8 | Confident | 105 Ų | 105 | 35 Ų | 35 | 49% | 0.491 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -54.3 | -31 | 175.1 | -48 | -176.5 | 160.9 | 0 | 0 | 113.1 | K844 L848 A968 S972 | K844-E970 WeakPolarHBondContact CE-OE2 3.36Å; K844-E970 IonicContact NZ-OE1 3.13Å; K844-E970 PolarHBondContact NZ-OE1 2.73Å; K844-E970 IonicContact NZ-OE2 3.24Å; K844-E970 PolarHBondContact NZ-OE2 3.2Å; L848-E970 HydrophobicContact CD1-CB 3.93Å; L848-E970 WeakPolarHBondContact CD1-O 3.38Å; A968-E970 PolarHBondContact O-N 3.04Å; E970-S972 VanDerWaalsContact C-N 3.32Å; E970-S972 PolarHBondContact O-N 2.89Å |
| 971 | V | 85.9 | Confident | 87.6 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74.7 | -23.4 | -179.3 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | L848 L941 I945 V947 A968 P969 Q973 C974 V975 | L848-V971 HydrophobicContact CD1-CG2 4.41Å; L941-V971 HydrophobicContact CD1-CG1 4.5Å; L941-V971 HydrophobicContact CD2-CG1 3.9Å; I945-V971 HydrophobicContact CD1-CG2 4.3Å; V947-V971 HydrophobicContact CG2-CG1 4.36Å; A968-V971 HydrophobicContact CB-CG2 4.09Å; A968-V971 WeakPolarHBondContact O-CB 3.18Å; A968-V971 PolarHBondContact O-N 2.95Å; A968-V971 VanDerWaalsContact O-N 3.14Å; P969-V971 PolarHBondContact O-N 3.42Å; P969-V971 VanDerWaalsContact O-N 3.14Å; V971-Q973 PolarHBondContact O-N 3Å; V971-C974 PolarHBondContact O-N 3.38Å; V971-V975 HydrophobicContact CG1-CG2 3.79Å; V971-V975 WeakPolarHBondContact O-CG2 3.5Å; V971-V975 PolarHBondContact O-N 2.84Å |
| 972 | S | 86.6 | Confident | 87.3 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -38.4 | -172.4 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | L964 P969 E970 V975 F976 | L964-S972 WeakPolarHBondContact CD1-O 3.29Å; P969-S972 VanDerWaalsContact O-CB 3.25Å; P969-S972 WeakPolarHBondContact O-CB 3.29Å; P969-S972 PolarHBondContact O-N 3.26Å; P969-S972 PolarHBondContact O-OG 2.94Å; E970-S972 VanDerWaalsContact C-N 3.32Å; E970-S972 PolarHBondContact O-N 2.89Å; S972-V975 PolarHBondContact O-N 3.06Å; S972-F976 WeakPolarHBondContact O-CB 3.36Å; S972-F976 PolarHBondContact O-N 3.21Å |
| 973 | Q | 86.5 | Confident | 86.9 | Confident | 127 Ų | 127 | 35.9 Ų | 35.9 | 59% | 0.593 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -66 | -44.5 | 179.8 | -173.1 | 176.8 | -0.3 | 0 | 0 | 112.3 | V971 V975 F976 Q977 | V971-Q973 PolarHBondContact O-N 3Å; Q973-V975 VanDerWaalsContact C-N 3.35Å; Q973-F976 PolarHBondContact O-N 3.35Å; Q973-Q977 WeakPolarHBondContact O-CG 3.39Å; Q973-Q977 PolarHBondContact O-N 3.42Å; Q973-Q977 VanDerWaalsContact O-N 3.15Å |
| 974 | C | 85.9 | Confident | 86.3 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 9% | 0.088 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.9 | -37.6 | 176.2 | -62 | 0 | 0 | 0 | 0 | 111.9 | I870 V971 Q977 S978 | I870-C974 HydrophobicContact CB-CB 4.31Å; I870-C974 HydrophobicContact CG2-CB 4.07Å; I870-C974 WeakPolarHBondContact CG2-O 3.35Å; V971-C974 PolarHBondContact O-N 3.38Å; C974-Q977 PolarHBondContact O-N 3.42Å; C974-S978 PolarHBondContact O-N 3.15Å |
| 975 | V | 88.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.4 | -40.6 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | I870 F874 V947 L964 V971 S972 Q973 Q977 S978 Y979 | I870-V975 HydrophobicContact CG2-CG2 4.23Å; F874-V975 HydrophobicContact CE1-CG2 4.17Å; F874-V975 HydrophobicContact CZ-CG1 4.21Å; F874-V975 HydrophobicContact CZ-CG2 4.1Å; V947-V975 HydrophobicContact CG1-CG1 4.25Å; V947-V975 HydrophobicContact CG2-CG2 4.38Å; L964-V975 HydrophobicContact CD1-CB 4.16Å; L964-V975 HydrophobicContact CD1-CG1 4.01Å; L964-V975 HydrophobicContact CD2-CG1 4.43Å; V971-V975 HydrophobicContact CG1-CG2 3.79Å; V971-V975 WeakPolarHBondContact O-CG2 3.5Å; V971-V975 PolarHBondContact O-N 2.84Å; S972-V975 PolarHBondContact O-N 3.06Å; Q973-V975 VanDerWaalsContact C-N 3.35Å; V975-Q977 VanDerWaalsContact C-N 3.34Å; V975-Q977 PolarHBondContact O-N 2.98Å; V975-S978 WeakPolarHBondContact O-CA 3.36Å; V975-S978 WeakPolarHBondContact O-CB 3.1Å; V975-S978 PolarHBondContact O-N 2.97Å; V975-Y979 HydrophobicContact CG1-CD2 3.95Å; V975-Y979 HydrophobicContact CG1-CE2 3.71Å; V975-Y979 WeakPolarHBondContact O-CD2 3.48Å; V975-Y979 PolarHBondContact O-N 3.12Å; V975-Y979 VanDerWaalsContact O-N 3.08Å |
| 976 | F | 90.4 | Very high | 84.7 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 11% | 0.114 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.1 | -45.6 | 173.4 | 169.4 | -106.2 | 0 | 0 | 0 | 112.4 | F900 I902 L964 S972 Q973 S978 Y979 E980 | F900-F976 HydrophobicContact CB-CD1 4.25Å; F900-F976 HydrophobicContact CB-CD2 3.27Å; F900-F976 HydrophobicContact CB-CE1 4.26Å; F900-F976 HydrophobicContact CB-CE2 3.26Å; F900-F976 HydrophobicContact CB-CG 3.79Å; F900-F976 HydrophobicContact CB-CZ 3.8Å; F900-F976 HydrophobicContact CD1-CB 4.37Å; F900-F976 AromaticContact CD1-CD1 3.89Å; F900-F976 HydrophobicContact CD1-CD1 3.89Å; F900-F976 HydrophobicContact CD1-CD2 4.27Å; F900-F976 HydrophobicContact CD1-CE1 4.3Å; F900-F976 AromaticContact CD1-CG 3.88Å; F900-F976 HydrophobicContact CD1-CG 3.88Å; F900-F976 HydrophobicContact CD2-CB 3.84Å; F900-F976 AromaticContact CD2-CD2 3.9Å; F900-F976 HydrophobicContact CD2-CD2 3.9Å; F900-F976 AromaticContact CD2-CG 3.86Å; F900-F976 HydrophobicContact CD2-CG 3.86Å; F900-F976 HydrophobicContact CE1-CB 4.48Å; F900-F976 HydrophobicContact CE1-CD1 4.39Å; F900-F976 HydrophobicContact CE1-CG 4.4Å; F900-F976 HydrophobicContact CE2-CB 3.95Å; F900-F976 HydrophobicContact CE2-CG 4.38Å; F900-F976 HydrophobicContact CG-CB 4.06Å; F900-F976 HydrophobicContact CG-CD1 4.04Å; F900-F976 AromaticContact CG-CD2 3.58Å; F900-F976 HydrophobicContact CG-CD2 3.58Å; F900-F976 HydrophobicContact CG-CE1 4.46Å; F900-F976 HydrophobicContact CG-CE2 4.03Å; F900-F976 AromaticContact CG-CG 3.58Å; F900-F976 HydrophobicContact CG-CG 3.58Å; F900-F976 HydrophobicContact CG-CZ 4.46Å; F900-F976 HydrophobicContact CZ-CB 4.27Å; I902-F976 HydrophobicContact CD1-CE2 4.19Å; I902-F976 HydrophobicContact CG1-CE2 3.52Å; I902-F976 HydrophobicContact CG1-CZ 4.02Å; L964-F976 HydrophobicContact CD1-CB 4.02Å; S972-F976 WeakPolarHBondContact O-CB 3.36Å; S972-F976 PolarHBondContact O-N 3.21Å; Q973-F976 PolarHBondContact O-N 3.35Å; F976-S978 PolarHBondContact O-N 2.86Å; F976-Y979 WeakPolarHBondContact O-CB 3.46Å; F976-Y979 PolarHBondContact O-N 3.29Å; F976-E980 PolarHBondContact O-N 2.96Å |
| 977 | Q | 87.2 | Confident | 84.5 | Confident | 93 Ų | 93 | 50.2 Ų | 50.2 | 44% | 0.435 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.9 | -32.5 | 175 | -70.4 | 170.1 | -20.1 | 0 | 0 | 112.7 | Q973 C974 V975 A981 | Q973-Q977 WeakPolarHBondContact O-CG 3.39Å; Q973-Q977 PolarHBondContact O-N 3.42Å; Q973-Q977 VanDerWaalsContact O-N 3.15Å; C974-Q977 PolarHBondContact O-N 3.42Å; V975-Q977 VanDerWaalsContact C-N 3.34Å; V975-Q977 PolarHBondContact O-N 2.98Å; Q977-A981 VanDerWaalsContact O-CB 3.32Å; Q977-A981 WeakPolarHBondContact O-CB 3.43Å; Q977-A981 PolarHBondContact O-N 2.99Å |
| 978 | S | 86.9 | Confident | 84.5 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.7 | -36.6 | 174.2 | -64.8 | 0 | 0 | 0 | 0 | 113.1 | I870 S871 C974 V975 F976 V982 | I870-S978 WeakPolarHBondContact CG2-OG 3.41Å; S871-S978 PolarHBondContact N-OG 3.27Å; C974-S978 PolarHBondContact O-N 3.15Å; V975-S978 WeakPolarHBondContact O-CA 3.36Å; V975-S978 WeakPolarHBondContact O-CB 3.1Å; V975-S978 PolarHBondContact O-N 2.97Å; F976-S978 PolarHBondContact O-N 2.86Å; S978-V982 WeakPolarHBondContact O-CB 3.08Å; S978-V982 VanDerWaalsContact O-CG2 3.26Å; S978-V982 WeakPolarHBondContact O-CG2 3.44Å; S978-V982 PolarHBondContact O-N 2.65Å |
| 979 | Y | 87.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 172.3 | -84.7 | -117.1 | 0 | 0 | 0 | 110.7 | L916 I921 A949 V962 L964 V975 F976 L983 | L916-Y979 HydrophobicContact CD1-CD1 4.48Å; L916-Y979 HydrophobicContact CD1-CE1 4.43Å; L916-Y979 HydrophobicContact CD2-CD1 4.1Å; L916-Y979 HydrophobicContact CD2-CE1 4.41Å; L916-Y979 HydrophobicContact CD2-CG 4.42Å; I921-Y979 HydrophobicContact CD1-CD2 3.99Å; I921-Y979 HydrophobicContact CD1-CE2 3.74Å; I921-Y979 HydrophobicContact CG1-CE2 4.29Å; I921-Y979 HydrophobicContact CG2-CE1 4.16Å; I921-Y979 HydrophobicContact CG2-CE2 4.3Å; I921-Y979 WeakPolarHBondContact CG2-OH 3.45Å; A949-Y979 HydrophobicContact CB-CE1 4.15Å; A949-Y979 VanDerWaalsContact CB-OH 3.24Å; A949-Y979 WeakPolarHBondContact CB-OH 3.18Å; V962-Y979 HydrophobicContact CG1-CD1 4.1Å; V962-Y979 HydrophobicContact CG1-CE1 4.3Å; V962-Y979 HydrophobicContact CG2-CD1 4.35Å; L964-Y979 HydrophobicContact CD2-CE2 4.43Å; V975-Y979 HydrophobicContact CG1-CD2 3.95Å; V975-Y979 HydrophobicContact CG1-CE2 3.71Å; V975-Y979 WeakPolarHBondContact O-CD2 3.48Å; V975-Y979 PolarHBondContact O-N 3.12Å; V975-Y979 VanDerWaalsContact O-N 3.08Å; F976-Y979 WeakPolarHBondContact O-CB 3.46Å; F976-Y979 PolarHBondContact O-N 3.29Å; Y979-L983 VanDerWaalsContact O-CB 3.27Å; Y979-L983 WeakPolarHBondContact O-CB 3.48Å; Y979-L983 WeakPolarHBondContact O-CD1 3.46Å; Y979-L983 VanDerWaalsContact O-CG 3.27Å; Y979-L983 WeakPolarHBondContact O-CG 3.09Å; Y979-L983 PolarHBondContact O-N 2.93Å |
| 980 | E | 87.9 | Confident | 84.6 | Confident | 59 Ų | 59 | 42.8 Ų | 42.8 | 28% | 0.276 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.6 | -49.9 | 175.4 | 177.9 | 165.8 | -140.9 | 0 | 0 | 112 | I902 F976 V982 L983 K984 | I902-E980 HydrophobicContact CD1-CB 4.45Å; I902-E980 HydrophobicContact CG1-CB 4.45Å; I902-E980 HydrophobicContact CG2-CB 4.43Å; I902-E980 HydrophobicContact CG2-CG 4.18Å; F976-E980 PolarHBondContact O-N 2.96Å; E980-V982 PolarHBondContact O-N 2.84Å; E980-L983 PolarHBondContact O-N 2.83Å; E980-K984 HydrophobicContact CG-CD 3.82Å; E980-K984 HydrophobicContact CG-CG 4.42Å; E980-K984 WeakPolarHBondContact O-CB 3.46Å; E980-K984 WeakPolarHBondContact O-CG 3.15Å; E980-K984 PolarHBondContact O-N 2.65Å; E980-K984 WeakPolarHBondContact OE1-CE 3.46Å; E980-K984 IonicContact OE1-NZ 2.64Å; E980-K984 PolarHBondContact OE1-NZ 2.96Å |
| 981 | A | 83.1 | Confident | 84.7 | Confident | 36 Ų | 36 | 38.6 Ų | 38.6 | 30% | 0.298 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.5 | -45.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q977 N985 | Q977-A981 VanDerWaalsContact O-CB 3.32Å; Q977-A981 WeakPolarHBondContact O-CB 3.43Å; Q977-A981 PolarHBondContact O-N 2.99Å; A981-N985 PolarHBondContact O-N 3.17Å; A981-N985 VanDerWaalsContact O-N 3.17Å; A981-N985 PolarHBondContact O-ND2 3.06Å |
| 982 | V | 83.4 | Confident | 84.6 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73.3 | -29.6 | -178.9 | 172.8 | 0 | 0 | 0 | 0 | 112.4 | K915 L916 S919 S978 E980 | K915-V982 WeakPolarHBondContact CD-O 3.31Å; K915-V982 WeakPolarHBondContact CE-O 3.47Å; K915-V982 HydrophobicContact CG-CG1 4.28Å; K915-V982 PolarHBondContact NZ-O 3.02Å; L916-V982 HydrophobicContact CD2-CB 4.39Å; L916-V982 HydrophobicContact CD2-CG1 4Å; S919-V982 WeakPolarHBondContact OG-CG2 3.48Å; S978-V982 WeakPolarHBondContact O-CB 3.08Å; S978-V982 VanDerWaalsContact O-CG2 3.26Å; S978-V982 WeakPolarHBondContact O-CG2 3.44Å; S978-V982 PolarHBondContact O-N 2.65Å; E980-V982 PolarHBondContact O-N 2.84Å |
| 983 | L | 84.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -80.2 | -39.3 | 177.4 | -71.2 | 167.4 | 0 | 0 | 0 | 111.9 | I902 L907 A912 K915 L916 F960 Y979 E980 | I902-L983 HydrophobicContact CD1-CD1 3.61Å; L907-L983 HydrophobicContact CD1-CD2 3.92Å; A912-L983 HydrophobicContact CB-CD2 3.73Å; K915-L983 PolarHBondContact NZ-O 3.24Å; L916-L983 HydrophobicContact CD1-CD1 4.47Å; L916-L983 HydrophobicContact CD1-CD2 4.08Å; L916-L983 HydrophobicContact CD2-CD1 4.47Å; L916-L983 HydrophobicContact CD2-CD2 4.32Å; L916-L983 HydrophobicContact CD2-CG 4.13Å; L916-L983 HydrophobicContact CG-CD2 4.03Å; L916-L983 HydrophobicContact CG-CG 4.4Å; F960-L983 HydrophobicContact CD2-CD1 4.13Å; F960-L983 HydrophobicContact CE2-CD2 4.39Å; Y979-L983 VanDerWaalsContact O-CB 3.27Å; Y979-L983 WeakPolarHBondContact O-CB 3.48Å; Y979-L983 WeakPolarHBondContact O-CD1 3.46Å; Y979-L983 VanDerWaalsContact O-CG 3.27Å; Y979-L983 WeakPolarHBondContact O-CG 3.09Å; Y979-L983 PolarHBondContact O-N 2.93Å; E980-L983 PolarHBondContact O-N 2.83Å |
| 984 | K | 79.8 | Confident | 84.3 | Confident | 94 Ų | 94 | 36.9 Ų | 36.9 | 41% | 0.409 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -75 | -32.5 | -179.5 | -72.7 | -175.7 | 170.6 | 176.4 | 0 | 115 | I902 K903 E980 | I902-K984 HydrophobicContact CG2-CG 4.48Å; K903-K984 WeakPolarHBondContact O-CE 3.5Å; E980-K984 HydrophobicContact CG-CD 3.82Å; E980-K984 HydrophobicContact CG-CG 4.42Å; E980-K984 WeakPolarHBondContact O-CB 3.46Å; E980-K984 WeakPolarHBondContact O-CG 3.15Å; E980-K984 PolarHBondContact O-N 2.65Å; E980-K984 WeakPolarHBondContact OE1-CE 3.46Å; E980-K984 IonicContact OE1-NZ 2.64Å; E980-K984 PolarHBondContact OE1-NZ 2.96Å |
| 985 | N | 66.8 | Low | 84.2 | Confident | 107 Ų | 107 | 39.1 Ų | 39.1 | 57% | 0.572 | 20% | 0.2 | S | C | * | . | trans | -104.3 | 0 | -179.4 | -56.3 | -97.9 | 0 | 0 | 0 | 111.2 | Y755 K915 A981 | Y755-N985 HydrophobicContact CD2-CB 3.61Å; Y755-N985 HydrophobicContact CE2-CB 3.23Å; Y755-N985 HydrophobicContact CG-CB 4.4Å; Y755-N985 PolarHBondContact OH-OD1 2.99Å; K915-N985 VanDerWaalsContact CE-C 3.48Å; K915-N985 WeakPolarHBondContact CE-O 3.42Å; K915-N985 WeakPolarHBondContact CE-OXT 3.05Å; K915-N985 PolarHBondContact NZ-O 3.29Å; K915-N985 PolarHBondContact NZ-OXT 3.29Å; A981-N985 PolarHBondContact O-N 3.17Å; A981-N985 VanDerWaalsContact O-N 3.17Å; A981-N985 PolarHBondContact O-ND2 3.06Å |
Retrieved 985 of 985 residues in 3196.4 ms
(Link to these results)