| 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 | A | 34.1 | Very low | 35.1 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 100% | 1.264 | 78% | 0.778 | S | S | * | * | 0 | 101.5 | 0 | 0 | 0 | 0 | 0 | 0 | 107.8 | K3 | A1-K3 PolarHBondContact O-N 2.71Š| |||
| 2 | V | 29.8 | Very low | 37.7 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -68.6 | 112.1 | 173.4 | 177.2 | 0 | 0 | 0 | 0 | 105.8 | M4 | V2-M4 VanDerWaalsContact C-N 3.32Å; V2-M4 PolarHBondContact O-N 3.19Å | ||
| 3 | K | 27.2 | Very low | 40.8 | Very low | 198 Ų | 198 | 130.5 Ų | 130.5 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -62.2 | 101.4 | 166.3 | -91.1 | -178.4 | 171.6 | -177.4 | 0 | 105.8 | A1 V5 | A1-K3 PolarHBondContact O-N 2.71Å; K3-V5 PolarHBondContact O-N 2.9Å; K3-V5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | M | 25.6 | Very low | 43.5 | Very low | 167 Ų | 167 | 125.6 Ų | 125.6 | 82% | 0.823 | 73% | 0.728 | S | S | * | * | trans | -56.7 | 115.5 | 160.1 | -71.2 | -155.3 | -65 | 0 | 0 | 105.4 | V2 E6 | V2-M4 VanDerWaalsContact C-N 3.32Å; V2-M4 PolarHBondContact O-N 3.19Å; M4-E6 VanDerWaalsContact C-N 3.27Å; M4-E6 PolarHBondContact O-N 2.63Å | ||
| 5 | V | 30.3 | Very low | 46 | Very low | 137 Ų | 137 | 121.3 Ų | 121.3 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | trans | -61.9 | 102.5 | 163.5 | 177.7 | 0 | 0 | 0 | 0 | 103.7 | K3 A7 | K3-V5 PolarHBondContact O-N 2.9Å; K3-V5 VanDerWaalsContact O-N 3.07Å; V5-A7 VanDerWaalsContact C-N 3.33Å; V5-A7 PolarHBondContact O-N 2.82Å | ||
| 6 | E | 30.2 | Very low | 48.1 | Very low | 178 Ų | 178 | 115.7 Ų | 115.7 | 83% | 0.832 | 68% | 0.684 | S | S | * | * | trans | -56.2 | 104.6 | 169.8 | -76.8 | 177.1 | 162.9 | 0 | 0 | 105.9 | M4 P8 | M4-E6 VanDerWaalsContact C-N 3.27Å; M4-E6 PolarHBondContact O-N 2.63Å; E6-P8 WeakPolarHBondContact O-CD 3.2Å | ||
| 7 | A | 31.3 | Very low | 49.8 | Very low | 74 Ų | 74 | 114.4 Ų | 114.4 | 61% | 0.612 | 67% | 0.668 | S | S | * | * | trans | -57 | 125.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | V5 I9 | V5-A7 VanDerWaalsContact C-N 3.33Å; V5-A7 PolarHBondContact O-N 2.82Å; A7-I9 PolarHBondContact O-N 3.49Å | ||
| 8 | P | 36.1 | Very low | 51.5 | Low | 80 Ų | 80 | 112.4 Ų | 112.4 | 52% | 0.519 | 65% | 0.654 | S | S | . | * | trans | -53.8 | 117.2 | 175.7 | 18.3 | -28.8 | 0 | 0 | 0 | 107.8 | E6 Y10 | E6-P8 WeakPolarHBondContact O-CD 3.2Å; P8-Y10 VanDerWaalsContact C-N 3.26Å; P8-Y10 HydrophobicContact CB-CE1 4.33Å; P8-Y10 HydrophobicContact CB-CE2 4.22Å; P8-Y10 HydrophobicContact CG-CE1 4.3Å; P8-Y10 HydrophobicContact CG-CE2 3.7Å; P8-Y10 WeakPolarHBondContact CG-OH 3.38Å; P8-Y10 WeakPolarHBondContact O-CD2 3.26Å; P8-Y10 WeakPolarHBondContact O-CE2 3.49Å; P8-Y10 PolarHBondContact O-N 3.44Å | ||
| 9 | I | 40.5 | Very low | 53 | Low | 173 Ų | 173 | 113.5 Ų | 113.5 | 89% | 0.887 | 65% | 0.646 | S | S | * | * | trans | -70.2 | 94.2 | 175.1 | -59.7 | 173.4 | 0 | 0 | 0 | 105.1 | A7 A11 | A7-I9 PolarHBondContact O-N 3.49Å; I9-A11 PolarHBondContact O-N 3.07Å | ||
| 10 | Y | 49.8 | Very low | 54.3 | Low | 169 Ų | 169 | 110.4 Ų | 110.4 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | trans | -67.5 | 129 | 172.4 | -61 | -77.3 | 0 | 0 | 0 | 107.8 | P8 T12 | P8-Y10 VanDerWaalsContact C-N 3.26Å; P8-Y10 HydrophobicContact CB-CE1 4.33Å; P8-Y10 HydrophobicContact CB-CE2 4.22Å; P8-Y10 HydrophobicContact CG-CE1 4.3Å; P8-Y10 HydrophobicContact CG-CE2 3.7Å; P8-Y10 WeakPolarHBondContact CG-OH 3.38Å; P8-Y10 WeakPolarHBondContact O-CD2 3.26Å; P8-Y10 WeakPolarHBondContact O-CE2 3.49Å; P8-Y10 PolarHBondContact O-N 3.44Å; Y10-T12 PolarHBondContact O-N 2.81Å | ||
| 11 | A | 51.4 | Low | 55.4 | Low | 50 Ų | 50 | 109.5 Ų | 109.5 | 41% | 0.413 | 62% | 0.622 | S | S | . | * | trans | -56 | 135.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | I9 A15 A16 | I9-A11 PolarHBondContact O-N 3.07Å; A11-A15 HydrophobicContact CB-CB 4.42Å; A11-A16 HydrophobicContact CB-CB 3.96Å; A11-A16 WeakPolarHBondContact O-CB 3.31Å | ||
| 12 | T | 65.4 | Low | 57.6 | Low | 119 Ų | 119 | 109.6 Ų | 109.6 | 73% | 0.73 | 59% | 0.59 | S | S | * | * | trans | -119.6 | 153.9 | 176.4 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | Y10 | Y10-T12 PolarHBondContact O-N 2.81Š| ||
| 13 | G | 78.3 | Confident | 60.1 | Low | 57 Ų | 57 | 105.4 Ų | 105.4 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.2 | -142.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A15 A16 K17 | G13-A15 VanDerWaalsContact C-N 3.33Å; G13-A15 PolarHBondContact O-N 3.25Å; G13-A16 VanDerWaalsContact O-CB 3.29Å; G13-A16 WeakPolarHBondContact O-CB 3.4Å; G13-A16 PolarHBondContact O-N 3.25Å; G13-A16 VanDerWaalsContact O-N 3.14Å; G13-K17 PolarHBondContact O-N 3.23Å |
| 14 | M | 79 | Confident | 62.5 | Low | 63 Ų | 63 | 100.4 Ų | 100.4 | 31% | 0.31 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66 | -32.1 | -174.1 | -70.9 | -48.6 | -54.5 | 0 | 0 | 114.2 | A16 K17 L18 H649 L653 | M14-A16 PolarHBondContact O-N 3.17Å; M14-K17 HydrophobicContact CE-CB 4.25Å; M14-K17 HydrophobicContact CE-CD 4.14Å; M14-K17 PolarHBondContact O-N 3.47Å; M14-K17 HydrophobicContact SD-CD 4.11Å; M14-L18 WeakPolarHBondContact O-CG 3.08Å; M14-L18 PolarHBondContact O-N 2.92Å; M14-H649 WeakPolarHBondContact CE-NE2 3.32Å; M14-L653 HydrophobicContact CE-CD1 4.27Å; M14-L653 HydrophobicContact CG-CD1 4.39Å; M14-L653 HydrophobicContact CG-CD2 4.1Å; M14-L653 HydrophobicContact SD-CD1 4.38Å; M14-L653 HydrophobicContact SD-CD2 3.78Å |
| 15 | A | 81.3 | Confident | 65.1 | Low | 61 Ų | 61 | 98.4 Ų | 98.4 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.9 | -34.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A11 G13 R19 | A11-A15 HydrophobicContact CB-CB 4.42Å; G13-A15 VanDerWaalsContact C-N 3.33Å; G13-A15 PolarHBondContact O-N 3.25Å; A15-R19 WeakPolarHBondContact O-CB 3.31Å; A15-R19 PolarHBondContact O-N 3.49Å |
| 16 | A | 78.4 | Confident | 67.4 | Low | 31 Ų | 31 | 95.1 Ų | 95.1 | 26% | 0.256 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A11 G13 M14 R19 S20 | A11-A16 HydrophobicContact CB-CB 3.96Å; A11-A16 WeakPolarHBondContact O-CB 3.31Å; G13-A16 VanDerWaalsContact O-CB 3.29Å; G13-A16 WeakPolarHBondContact O-CB 3.4Å; G13-A16 PolarHBondContact O-N 3.25Å; G13-A16 VanDerWaalsContact O-N 3.14Å; M14-A16 PolarHBondContact O-N 3.17Å; A16-R19 PolarHBondContact O-N 3.46Å; A16-S20 WeakPolarHBondContact O-CB 3.45Å; A16-S20 PolarHBondContact O-N 2.75Å |
| 17 | K | 77.5 | Confident | 69.8 | Low | 93 Ų | 93 | 87.1 Ų | 87.1 | 40% | 0.404 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 177.3 | -74.8 | -164.2 | 173.9 | -167 | 0 | 111.3 | G13 M14 S20 Q21 E374 | G13-K17 PolarHBondContact O-N 3.23Å; M14-K17 HydrophobicContact CE-CB 4.25Å; M14-K17 HydrophobicContact CE-CD 4.14Å; M14-K17 PolarHBondContact O-N 3.47Å; M14-K17 HydrophobicContact SD-CD 4.11Å; K17-S20 PolarHBondContact O-N 3.28Å; K17-Q21 PolarHBondContact O-N 3.06Å; K17-E374 IonicContact NZ-OE1 3.78Å; K17-E374 PolarHBondContact NZ-OE1 2.8Å; K17-E374 IonicContact NZ-OE2 2.76Å |
| 18 | L | 79.9 | Confident | 72.4 | Confident | 79 Ų | 79 | 86 Ų | 86 | 41% | 0.414 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 178.1 | -70.5 | 173.3 | 0 | 0 | 0 | 112 | M14 S20 Q21 W22 | M14-L18 WeakPolarHBondContact O-CG 3.08Å; M14-L18 PolarHBondContact O-N 2.92Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 3.33Å; L18-Q21 WeakPolarHBondContact O-CB 3.44Å; L18-Q21 PolarHBondContact O-N 3.32Å; L18-Q21 VanDerWaalsContact O-N 3.16Å; L18-W22 PolarHBondContact O-N 3.15Å |
| 19 | R | 80.8 | Confident | 74.6 | Confident | 133 Ų | 133 | 82.5 Ų | 82.5 | 50% | 0.502 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 176.6 | -178.6 | 65.2 | -157.7 | -169 | 7.1 | 111.6 | A15 A16 Q21 W22 D23 | A15-R19 WeakPolarHBondContact O-CB 3.31Å; A15-R19 PolarHBondContact O-N 3.49Å; A16-R19 PolarHBondContact O-N 3.46Å; R19-Q21 VanDerWaalsContact C-N 3.27Å; R19-Q21 PolarHBondContact O-N 2.89Å; R19-W22 PolarHBondContact O-N 3.27Å; R19-D23 IonicContact CZ-OD1 3.22Å; R19-D23 VanDerWaalsContact CZ-OD1 3.26Å; R19-D23 IonicContact NE-OD1 3.22Å; R19-D23 PolarHBondContact NE-OD1 3.09Å; R19-D23 IonicContact NE-OD2 3.26Å; R19-D23 PolarHBondContact NE-OD2 3.02Å; R19-D23 IonicContact NH2-OD1 2.89Å; R19-D23 PolarHBondContact NH2-OD1 3.45Å; R19-D23 PolarHBondContact O-N 2.9Å |
| 20 | S | 78.3 | Confident | 76.7 | Confident | 52 Ų | 52 | 79.6 Ų | 79.6 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 175.4 | 177.1 | 0 | 0 | 0 | 0 | 112 | A16 K17 L18 R24 | A16-S20 WeakPolarHBondContact O-CB 3.45Å; A16-S20 PolarHBondContact O-N 2.75Å; K17-S20 PolarHBondContact O-N 3.28Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 3.33Å; S20-R24 WeakPolarHBondContact O-CB 3.12Å; S20-R24 WeakPolarHBondContact O-CG 3.25Å; S20-R24 PolarHBondContact O-N 3.01Å; S20-R24 VanDerWaalsContact O-N 3.11Å; S20-R24 PolarHBondContact O-NE 3.26Å; S20-R24 VanDerWaalsContact O-NE 3.17Å |
| 21 | Q | 78.1 | Confident | 78.2 | Confident | 91 Ų | 91 | 74.1 Ų | 74.1 | 43% | 0.425 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 172.7 | -171.8 | 171.8 | 4.1 | 0 | 0 | 112.3 | K17 L18 R19 D23 R24 D25 | K17-Q21 PolarHBondContact O-N 3.06Å; L18-Q21 WeakPolarHBondContact O-CB 3.44Å; L18-Q21 PolarHBondContact O-N 3.32Å; L18-Q21 VanDerWaalsContact O-N 3.16Å; R19-Q21 VanDerWaalsContact C-N 3.27Å; R19-Q21 PolarHBondContact O-N 2.89Å; Q21-D23 PolarHBondContact O-N 3.12Å; Q21-R24 WeakPolarHBondContact O-CB 3.49Å; Q21-R24 PolarHBondContact O-N 3.47Å; Q21-R24 VanDerWaalsContact O-N 3.16Å; Q21-D25 VanDerWaalsContact O-CG 3.32Å; Q21-D25 PolarHBondContact O-N 3.22Å |
| 22 | W | 80.3 | Confident | 79.7 | Confident | 156 Ų | 156 | 78.1 Ų | 78.1 | 59% | 0.591 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 177.8 | -62.3 | -23.2 | 0 | 0 | 0 | 113.4 | L18 R19 R24 D25 G26 | L18-W22 PolarHBondContact O-N 3.15Å; R19-W22 PolarHBondContact O-N 3.27Å; W22-R24 VanDerWaalsContact C-N 3.25Å; W22-R24 PolarHBondContact O-N 2.88Å; W22-D25 PolarHBondContact O-N 3.35Å; W22-G26 PolarHBondContact O-N 3.01Å |
| 23 | D | 81.8 | Confident | 80.7 | Confident | 53 Ų | 53 | 76.1 Ų | 76.1 | 28% | 0.283 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.1 | -35.9 | 177.5 | -66.1 | -33.5 | 0 | 0 | 0 | 110.5 | R19 Q21 G26 G27 L28 | R19-D23 IonicContact CZ-OD1 3.22Å; R19-D23 VanDerWaalsContact CZ-OD1 3.26Å; R19-D23 IonicContact NE-OD1 3.22Å; R19-D23 PolarHBondContact NE-OD1 3.09Å; R19-D23 IonicContact NE-OD2 3.26Å; R19-D23 PolarHBondContact NE-OD2 3.02Å; R19-D23 IonicContact NH2-OD1 2.89Å; R19-D23 PolarHBondContact NH2-OD1 3.45Å; R19-D23 PolarHBondContact O-N 2.9Å; Q21-D23 PolarHBondContact O-N 3.12Å; D23-G26 CarbonylContact O-C 3.5Å; D23-G26 WeakPolarHBondContact O-CA 3.27Å; D23-G26 PolarHBondContact O-N 2.87Å; D23-G27 PolarHBondContact O-N 2.78Å; D23-L28 HydrophobicContact CB-CB 4.18Å; D23-L28 HydrophobicContact CB-CD2 3.73Å; D23-L28 WeakPolarHBondContact O-CB 3.48Å; D23-L28 PolarHBondContact O-N 3.14Å |
| 24 | R | 78.9 | Confident | 81.3 | Confident | 93 Ų | 93 | 74 Ų | 74 | 35% | 0.351 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 174.2 | -71.9 | 178.1 | -60 | 160.8 | 5.1 | 113 | S20 Q21 W22 G26 G27 E158 | S20-R24 WeakPolarHBondContact O-CB 3.12Å; S20-R24 WeakPolarHBondContact O-CG 3.25Å; S20-R24 PolarHBondContact O-N 3.01Å; S20-R24 VanDerWaalsContact O-N 3.11Å; S20-R24 PolarHBondContact O-NE 3.26Å; S20-R24 VanDerWaalsContact O-NE 3.17Å; Q21-R24 WeakPolarHBondContact O-CB 3.49Å; Q21-R24 PolarHBondContact O-N 3.47Å; Q21-R24 VanDerWaalsContact O-N 3.16Å; W22-R24 VanDerWaalsContact C-N 3.25Å; W22-R24 PolarHBondContact O-N 2.88Å; R24-G26 PolarHBondContact O-N 3.44Å; R24-G27 WeakPolarHBondContact O-CA 3.46Å; R24-G27 PolarHBondContact O-N 3.36Å; R24-E158 WeakPolarHBondContact CD-OE1 3.49Å; R24-E158 IonicContact CZ-OE1 2.66Å; R24-E158 IonicContact NE-OE1 3.23Å; R24-E158 IonicContact NH1-OE1 3.39Å; R24-E158 PolarHBondContact NH1-OE1 2.85Å; R24-E158 VanDerWaalsContact NH1-OE1 3.09Å |
| 25 | D | 79.3 | Confident | 81.9 | Confident | 124 Ų | 124 | 72.7 Ų | 72.7 | 66% | 0.663 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.7 | -29.5 | 173.4 | -63.4 | -23.7 | 0 | 0 | 0 | 111 | Q21 W22 G27 | Q21-D25 VanDerWaalsContact O-CG 3.32Å; Q21-D25 PolarHBondContact O-N 3.22Å; W22-D25 PolarHBondContact O-N 3.35Å; D25-G27 PolarHBondContact O-N 3.03Å |
| 26 | G | 78.5 | Confident | 82.4 | Confident | 68 Ų | 68 | 74.4 Ų | 74.4 | 70% | 0.701 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 1.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | W22 D23 R24 | W22-G26 PolarHBondContact O-N 3.01Å; D23-G26 CarbonylContact O-C 3.5Å; D23-G26 WeakPolarHBondContact O-CA 3.27Å; D23-G26 PolarHBondContact O-N 2.87Å; R24-G26 PolarHBondContact O-N 3.44Å |
| 27 | G | 81.8 | Confident | 83.1 | Confident | 11 Ų | 11 | 74.4 Ų | 74.4 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | 5.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | D23 R24 D25 Q30 N33 | D23-G27 PolarHBondContact O-N 2.78Å; R24-G27 WeakPolarHBondContact O-CA 3.46Å; R24-G27 PolarHBondContact O-N 3.36Å; D25-G27 PolarHBondContact O-N 3.03Å; G27-Q30 WeakPolarHBondContact O-CG 3.5Å; G27-Q30 PolarHBondContact O-N 3.47Å; G27-N33 PolarHBondContact O-ND2 2.86Å |
| 28 | L | 85.2 | Confident | 83.7 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 26% | 0.262 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 132.8 | 172.7 | -173.7 | 70.2 | 0 | 0 | 0 | 110.6 | D23 V35 | D23-L28 HydrophobicContact CB-CB 4.18Å; D23-L28 HydrophobicContact CB-CD2 3.73Å; D23-L28 WeakPolarHBondContact O-CB 3.48Å; D23-L28 PolarHBondContact O-N 3.14Å; L28-V35 HydrophobicContact CD1-CG2 4.45Å; L28-V35 HydrophobicContact CD2-CG2 4.28Å; L28-V35 HydrophobicContact CG-CG2 3.92Å |
| 29 | G | 82.4 | Confident | 84.1 | Confident | 6 Ų | 6 | 73.7 Ų | 73.7 | 6% | 0.062 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | 1.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N33 E158 W159 | G29-N33 PolarHBondContact N-O 3.35Å; G29-E158 CarbonylContact O-C 3.56Å; G29-E158 WeakPolarHBondContact O-CA 3.24Å; G29-W159 PolarHBondContact O-N 3.23Å |
| 30 | Q | 84.6 | Confident | 84.6 | Confident | 112 Ų | 112 | 68.1 Ų | 68.1 | 52% | 0.523 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -75.9 | 163.4 | 164.3 | -63.6 | -175.1 | 8.4 | 0 | 0 | 110.6 | G27 D32 N33 A34 | G27-Q30 WeakPolarHBondContact O-CG 3.5Å; G27-Q30 PolarHBondContact O-N 3.47Å; Q30-D32 VanDerWaalsContact C-N 3.29Å; Q30-D32 VanDerWaalsContact CB-OD1 3.27Å; Q30-D32 WeakPolarHBondContact CB-OD1 3.26Å; Q30-D32 PolarHBondContact O-N 3.3Å; Q30-N33 CarbonylContact O-C 3.56Å; Q30-N33 PolarHBondContact O-N 2.95Å; Q30-N33 VanDerWaalsContact O-N 3.13Å; Q30-A34 WeakPolarHBondContact O-CA 3.13Å; Q30-A34 PolarHBondContact O-N 3.47Å; Q30-A34 VanDerWaalsContact O-N 3.09Å |
| 31 | N | 80.9 | Confident | 85.4 | Confident | 54 Ų | 54 | 67.3 Ų | 67.3 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -62.1 | -36.3 | -175.2 | 178.4 | -111.4 | 0 | 0 | 0 | 112.9 | Q152 W159 | N31-Q152 PolarHBondContact ND2-OE1 3.08Å; N31-Q152 VanDerWaalsContact ND2-OE1 3.16Å; N31-Q152 PolarHBondContact O-OE1 2.8Å; N31-W159 HydrophobicContact CB-CD2 4.32Å; N31-W159 HydrophobicContact CB-CG 4.11Å |
| 32 | D | 82.8 | Confident | 86.1 | Confident | 135 Ų | 135 | 63.4 Ų | 63.4 | 72% | 0.722 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -19.7 | 176.9 | 60.9 | -32.1 | 0 | 0 | 0 | 113.6 | Q30 | Q30-D32 VanDerWaalsContact C-N 3.29Å; Q30-D32 VanDerWaalsContact CB-OD1 3.27Å; Q30-D32 WeakPolarHBondContact CB-OD1 3.26Å; Q30-D32 PolarHBondContact O-N 3.3Å |
| 33 | N | 87.6 | Confident | 86.8 | Confident | 77 Ų | 77 | 61.7 Ų | 61.7 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | 61.3 | 178 | -172 | 27.1 | 0 | 0 | 0 | 111.1 | G27 G29 Q30 | G27-N33 PolarHBondContact O-ND2 2.86Å; G29-N33 PolarHBondContact N-O 3.35Å; Q30-N33 CarbonylContact O-C 3.56Å; Q30-N33 PolarHBondContact O-N 2.95Å; Q30-N33 VanDerWaalsContact O-N 3.13Å |
| 34 | A | 89.8 | Confident | 87.4 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 10% | 0.099 | 36% | 0.355 | C | S | . | . | trans | -65.2 | 146.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q30 K36 W159 E161 | Q30-A34 WeakPolarHBondContact O-CA 3.13Å; Q30-A34 PolarHBondContact O-N 3.47Å; Q30-A34 VanDerWaalsContact O-N 3.09Å; A34-K36 PolarHBondContact O-N 3.19Å; A34-W159 CarbonylContact C-O 3.57Å; A34-W159 WeakPolarHBondContact CA-O 3.3Å; A34-W159 HydrophobicContact CB-CB 4.1Å; A34-E161 HydrophobicContact CB-CB 4.12Å | ||
| 35 | V | 91.4 | Very high | 88.2 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 22% | 0.218 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 126.1 | 174.1 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | L28 F37 W159 V160 E161 | L28-V35 HydrophobicContact CD1-CG2 4.45Å; L28-V35 HydrophobicContact CD2-CG2 4.28Å; L28-V35 HydrophobicContact CG-CG2 3.92Å; V35-F37 PolarHBondContact O-N 3.43Å; V35-W159 PolarHBondContact N-O 3.36Å; V35-V160 HydrophobicContact CB-CG2 4.3Å; V35-V160 CarbonylContact O-C 3.58Å; V35-V160 WeakPolarHBondContact O-CA 3.42Å; V35-E161 PolarHBondContact O-N 2.89Å |
| 36 | K | 92.7 | Very high | 88.9 | Confident | 96 Ų | 96 | 55.5 Ų | 55.5 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 109.8 | 177.2 | -63.6 | -176.6 | -171.7 | -174 | 0 | 110.4 | A34 L38 G39 Q40 D41 | A34-K36 PolarHBondContact O-N 3.19Å; K36-L38 PolarHBondContact O-N 2.9Å; K36-G39 PolarHBondContact O-N 2.98Å; K36-Q40 WeakPolarHBondContact CB-O 3.29Å; K36-D41 HydrophobicContact CD-CB 4.03Å; K36-D41 VanDerWaalsContact CE-OD1 3.3Å; K36-D41 WeakPolarHBondContact CE-OD1 3.41Å; K36-D41 IonicContact NZ-OD1 2.91Å; K36-D41 PolarHBondContact NZ-OD1 3.03Å |
| 37 | F | 92.6 | Very high | 89.7 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -61 | 125.4 | -178.1 | -171.9 | -116.2 | 0 | 0 | 0 | 110.7 | V35 G39 Q40 V160 E161 V162 K197 L198 | V35-F37 PolarHBondContact O-N 3.43Å; F37-G39 PolarHBondContact O-N 3.2Å; F37-Q40 PolarHBondContact O-N 2.66Å; F37-Q40 VanDerWaalsContact O-N 3.16Å; F37-V160 HydrophobicContact CB-CG1 3.75Å; F37-V160 HydrophobicContact CD2-CG1 4.01Å; F37-V160 HydrophobicContact CG-CG1 4.26Å; F37-E161 WeakPolarHBondContact CB-O 3.48Å; F37-E161 PolarHBondContact N-O 3.33Å; F37-V162 HydrophobicContact CB-CG2 3.98Å; F37-V162 HydrophobicContact CD1-CG1 4.19Å; F37-V162 HydrophobicContact CD1-CG2 4.3Å; F37-V162 HydrophobicContact CG-CG2 4.13Å; F37-K197 HydrophobicContact CE1-CG 4Å; F37-L198 HydrophobicContact CD2-CD1 3.89Å; F37-L198 HydrophobicContact CE2-CD1 3.74Å; F37-L198 HydrophobicContact CG-CD1 4.48Å; F37-L198 HydrophobicContact CZ-CD1 4.21Å |
| 38 | L | 89.4 | Confident | 90.3 | Very high | 99 Ų | 99 | 58.4 Ų | 58.4 | 52% | 0.518 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | 53.7 | 24.5 | -176 | -51.1 | 172.5 | 0 | 0 | 0 | 114.2 | K36 Q40 L60 | K36-L38 PolarHBondContact O-N 2.9Å; L38-Q40 VanDerWaalsContact C-N 3.25Å; L38-Q40 PolarHBondContact O-N 3.4Å; L38-L60 HydrophobicContact CB-CD1 3.44Å; L38-L60 VanDerWaalsContact CB-CD1 3.44Å; L38-L60 HydrophobicContact CD1-CB 3.76Å; L38-L60 HydrophobicContact CD1-CD1 3.65Å; L38-L60 HydrophobicContact CD1-CG 4.26Å; L38-L60 HydrophobicContact CG-CD1 4.18Å |
| 39 | G | 88.1 | Confident | 90.7 | Very high | 58 Ų | 58 | 56.9 Ų | 56.9 | 60% | 0.598 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | 71.1 | 13.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | K36 F37 | K36-G39 PolarHBondContact O-N 2.98Å; F37-G39 PolarHBondContact O-N 3.2Å |
| 40 | Q | 92.4 | Very high | 91.3 | Very high | 17 Ų | 17 | 60.8 Ų | 60.8 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | trans | -80.5 | 127.2 | 176.6 | -72 | 177.9 | -48.6 | 0 | 0 | 110.8 | K36 F37 L38 L45 D58 L60 V163 | K36-Q40 WeakPolarHBondContact CB-O 3.29Å; F37-Q40 PolarHBondContact O-N 2.66Å; F37-Q40 VanDerWaalsContact O-N 3.16Å; L38-Q40 VanDerWaalsContact C-N 3.25Å; L38-Q40 PolarHBondContact O-N 3.4Å; Q40-L45 HydrophobicContact CB-CD1 3.85Å; Q40-L45 HydrophobicContact CG-CD1 4.11Å; Q40-D58 PolarHBondContact NE2-OD1 3.27Å; Q40-D58 VanDerWaalsContact NE2-OD1 3.08Å; Q40-L60 VanDerWaalsContact CD-CD1 3.5Å; Q40-L60 HydrophobicContact CG-CD1 3.82Å; Q40-V163 HydrophobicContact CB-CB 4.28Å; Q40-V163 HydrophobicContact CB-CG2 4.24Å | ||
| 41 | D | 93.9 | Very high | 91.8 | Very high | 35 Ų | 35 | 64.7 Ų | 64.7 | 19% | 0.187 | 34% | 0.344 | C | S | . | . | trans | -106.8 | 117 | 176.4 | 179.8 | 60.2 | 0 | 0 | 0 | 110.5 | K36 E43 S44 L45 | K36-D41 HydrophobicContact CD-CB 4.03Å; K36-D41 VanDerWaalsContact CE-OD1 3.3Å; K36-D41 WeakPolarHBondContact CE-OD1 3.41Å; K36-D41 IonicContact NZ-OD1 2.91Å; K36-D41 PolarHBondContact NZ-OD1 3.03Å; D41-E43 PolarHBondContact O-N 3.08Å; D41-S44 WeakPolarHBondContact OD2-CB 3.37Å; D41-S44 PolarHBondContact OD2-N 3.03Å; D41-S44 PolarHBondContact OD2-OG 3.44Å; D41-L45 WeakPolarHBondContact O-CB 3.43Å; D41-L45 WeakPolarHBondContact O-CG 2.94Å; D41-L45 PolarHBondContact O-N 3.05Å | ||
| 42 | Y | 94.6 | Very high | 92.4 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.8 | -50.8 | -175.4 | 168.6 | -109.8 | 0 | 0 | 0 | 112.3 | L45 K46 I148 H150 | Y42-L45 PolarHBondContact O-N 3.5Å; Y42-K46 HydrophobicContact CE1-CD 4.17Å; Y42-K46 HydrophobicContact CE2-CD 4.16Å; Y42-K46 WeakPolarHBondContact O-CB 3.46Å; Y42-K46 PolarHBondContact O-N 3.3Å; Y42-K46 PolarHBondContact OH-NZ 3.07Å; Y42-I148 HydrophobicContact CD2-CD1 4.14Å; Y42-I148 HydrophobicContact CD2-CG1 4Å; Y42-I148 HydrophobicContact CE2-CG1 4.2Å; Y42-I148 HydrophobicContact CE2-CG2 4.08Å; Y42-H150 AromaticContact CD1-CD2 3.85Å; Y42-H150 AromaticContact CD1-CE1 3.84Å; Y42-H150 AromaticContact CD1-CG 3.9Å; Y42-H150 AromaticContact CD1-ND1 3.89Å; Y42-H150 AromaticContact CD1-NE2 3.83Å; Y42-H150 HydrophobicContact CD2-CB 3.84Å; Y42-H150 AromaticContact CD2-CG 3.94Å; Y42-H150 AromaticContact CE1-CD2 3.81Å; Y42-H150 AromaticContact CE1-NE2 3.72Å; Y42-H150 HydrophobicContact CE2-CB 4.48Å; Y42-H150 HydrophobicContact CG-CB 3.91Å; Y42-H150 AromaticContact CG-CD2 3.97Å; Y42-H150 AromaticContact CG-CG 3.68Å; Y42-H150 AromaticContact CG-ND1 3.93Å; Y42-H150 AromaticContact CZ-CD2 3.89Å |
| 43 | E | 93.5 | Very high | 92.9 | Very high | 120 Ų | 120 | 63.5 Ų | 63.5 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.9 | -44.1 | -175.2 | -68.7 | -61.5 | 163.4 | 0 | 0 | 112.2 | D41 A47 | D41-E43 PolarHBondContact O-N 3.08Å; E43-A47 VanDerWaalsContact O-CB 3.28Å; E43-A47 WeakPolarHBondContact O-CB 3.29Å; E43-A47 PolarHBondContact O-N 3.04Å |
| 44 | S | 94.6 | Very high | 93.3 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.8 | -64.1 | 0 | 0 | 0 | 0 | 112.5 | D41 A47 Q48 | D41-S44 WeakPolarHBondContact OD2-CB 3.37Å; D41-S44 PolarHBondContact OD2-N 3.03Å; D41-S44 PolarHBondContact OD2-OG 3.44Å; S44-A47 PolarHBondContact O-N 2.8Å; S44-Q48 WeakPolarHBondContact O-CB 3.38Å; S44-Q48 PolarHBondContact O-N 3.24Å |
| 45 | L | 95.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 68.4 Ų | 68.4 | 19% | 0.194 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.2 | -44 | 179.7 | -70.3 | 172.1 | 0 | 0 | 0 | 111.2 | Q40 D41 Y42 A47 Q48 C49 F56 I148 V163 | Q40-L45 HydrophobicContact CB-CD1 3.85Å; Q40-L45 HydrophobicContact CG-CD1 4.11Å; D41-L45 WeakPolarHBondContact O-CB 3.43Å; D41-L45 WeakPolarHBondContact O-CG 2.94Å; D41-L45 PolarHBondContact O-N 3.05Å; Y42-L45 PolarHBondContact O-N 3.5Å; L45-A47 PolarHBondContact O-N 3.41Å; L45-Q48 PolarHBondContact O-N 3.24Å; L45-C49 PolarHBondContact O-N 2.68Å; L45-C49 PolarHBondContact O-SG 2.93Å; L45-F56 HydrophobicContact CB-CE2 4.41Å; L45-F56 HydrophobicContact CD1-CE2 4.02Å; L45-F56 HydrophobicContact CD1-CZ 4.11Å; L45-F56 HydrophobicContact CD2-CE2 4.26Å; L45-F56 HydrophobicContact CG-CE2 4.47Å; L45-I148 HydrophobicContact CB-CD1 3.62Å; L45-V163 HydrophobicContact CD1-CG1 4.37Å |
| 46 | K | 94.7 | Very high | 93.8 | Very high | 32 Ų | 32 | 67.5 Ų | 67.5 | 14% | 0.139 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 174.9 | -176.7 | 176.8 | -177.1 | 175 | 0 | 111.4 | Y42 Q48 C49 L50 G144 A146 I148 | Y42-K46 HydrophobicContact CE1-CD 4.17Å; Y42-K46 HydrophobicContact CE2-CD 4.16Å; Y42-K46 WeakPolarHBondContact O-CB 3.46Å; Y42-K46 PolarHBondContact O-N 3.3Å; Y42-K46 PolarHBondContact OH-NZ 3.07Å; K46-Q48 VanDerWaalsContact C-N 3.31Å; K46-Q48 PolarHBondContact O-N 2.98Å; K46-C49 PolarHBondContact O-N 2.96Å; K46-L50 HydrophobicContact CG-CD1 4.04Å; K46-L50 HydrophobicContact CG-CG 4.5Å; K46-L50 WeakPolarHBondContact O-CB 3.48Å; K46-L50 VanDerWaalsContact O-CG 3.3Å; K46-L50 WeakPolarHBondContact O-CG 3.33Å; K46-L50 PolarHBondContact O-N 3.44Å; K46-G144 WeakPolarHBondContact CE-O 3.16Å; K46-A146 HydrophobicContact CG-CB 4.4Å; K46-I148 HydrophobicContact CB-CG2 3.88Å; K46-I148 HydrophobicContact CD-CG2 4.42Å; K46-I148 HydrophobicContact CG-CG2 3.95Å |
| 47 | A | 94.4 | Very high | 93.9 | Very high | 44 Ų | 44 | 69.1 Ų | 69.1 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E43 S44 L45 R51 | E43-A47 VanDerWaalsContact O-CB 3.28Å; E43-A47 WeakPolarHBondContact O-CB 3.29Å; E43-A47 PolarHBondContact O-N 3.04Å; S44-A47 PolarHBondContact O-N 2.8Å; L45-A47 PolarHBondContact O-N 3.41Å; A47-R51 WeakPolarHBondContact O-CB 3.49Å; A47-R51 VanDerWaalsContact O-CG 3.26Å; A47-R51 WeakPolarHBondContact O-CG 3.28Å; A47-R51 PolarHBondContact O-N 3.11Å; A47-R51 PolarHBondContact O-NE 3.4Å |
| 48 | Q | 95 | Very high | 94 | Very high | 96 Ų | 96 | 67.7 Ų | 67.7 | 45% | 0.449 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 174.3 | -176.4 | 177.7 | -1.4 | 0 | 0 | 112.1 | S44 L45 K46 R51 N52 | S44-Q48 WeakPolarHBondContact O-CB 3.38Å; S44-Q48 PolarHBondContact O-N 3.24Å; L45-Q48 PolarHBondContact O-N 3.24Å; K46-Q48 VanDerWaalsContact C-N 3.31Å; K46-Q48 PolarHBondContact O-N 2.98Å; Q48-R51 PolarHBondContact O-N 3.31Å; Q48-N52 WeakPolarHBondContact O-CB 3.44Å; Q48-N52 VanDerWaalsContact O-CG 3.32Å; Q48-N52 PolarHBondContact O-N 3.35Å; Q48-N52 VanDerWaalsContact O-N 3.07Å; Q48-N52 PolarHBondContact O-ND2 2.95Å |
| 49 | C | 94.7 | Very high | 94.2 | Very high | 17 Ų | 17 | 67.8 Ų | 67.8 | 12% | 0.115 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 177.3 | -74.5 | 0 | 0 | 0 | 0 | 112.1 | L45 K46 R51 N52 G53 M54 A146 | L45-C49 PolarHBondContact O-N 2.68Å; L45-C49 PolarHBondContact O-SG 2.93Å; K46-C49 PolarHBondContact O-N 2.96Å; C49-R51 PolarHBondContact O-N 2.95Å; C49-N52 PolarHBondContact O-N 2.75Å; C49-G53 PolarHBondContact O-N 3.07Å; C49-M54 VanDerWaalsContact CB-O 3.31Å; C49-M54 WeakPolarHBondContact CB-O 3.3Å; C49-M54 PolarHBondContact O-N 3.45Å; C49-M54 VanDerWaalsContact O-N 3.15Å; C49-A146 HydrophobicContact CB-CB 3.8Å |
| 50 | L | 94 | Very high | 94.4 | Very high | 88 Ų | 88 | 68.9 Ų | 68.9 | 46% | 0.461 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 176.6 | -70.5 | 173 | 0 | 0 | 0 | 112.3 | K46 N52 G53 A146 | K46-L50 HydrophobicContact CG-CD1 4.04Å; K46-L50 HydrophobicContact CG-CG 4.5Å; K46-L50 WeakPolarHBondContact O-CB 3.48Å; K46-L50 VanDerWaalsContact O-CG 3.3Å; K46-L50 WeakPolarHBondContact O-CG 3.33Å; K46-L50 PolarHBondContact O-N 3.44Å; L50-N52 VanDerWaalsContact C-N 3.3Å; L50-N52 PolarHBondContact O-N 3.04Å; L50-G53 PolarHBondContact O-N 3.45Å; L50-A146 HydrophobicContact CD2-CB 4Å; L50-A146 HydrophobicContact CG-CB 4.07Å |
| 51 | R | 95.2 | Very high | 94.5 | Very high | 195 Ų | 195 | 68.3 Ų | 68.3 | 74% | 0.736 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.4 | -36.1 | 176.2 | -78.6 | -175.3 | -62.9 | -171.3 | 1.5 | 112.9 | A47 Q48 C49 | A47-R51 WeakPolarHBondContact O-CB 3.49Å; A47-R51 VanDerWaalsContact O-CG 3.26Å; A47-R51 WeakPolarHBondContact O-CG 3.28Å; A47-R51 PolarHBondContact O-N 3.11Å; A47-R51 PolarHBondContact O-NE 3.4Å; Q48-R51 PolarHBondContact O-N 3.31Å; C49-R51 PolarHBondContact O-N 2.95Å |
| 52 | N | 94.4 | Very high | 94.5 | Very high | 91 Ų | 91 | 69.2 Ų | 69.2 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -88.5 | -8.4 | -177.6 | -66.7 | -15.8 | 0 | 0 | 0 | 113.4 | Q48 C49 L50 M54 | Q48-N52 WeakPolarHBondContact O-CB 3.44Å; Q48-N52 VanDerWaalsContact O-CG 3.32Å; Q48-N52 PolarHBondContact O-N 3.35Å; Q48-N52 VanDerWaalsContact O-N 3.07Å; Q48-N52 PolarHBondContact O-ND2 2.95Å; C49-N52 PolarHBondContact O-N 2.75Å; L50-N52 VanDerWaalsContact C-N 3.3Å; L50-N52 PolarHBondContact O-N 3.04Å; N52-M54 HydrophobicContact CB-CE 3.84Å; N52-M54 HydrophobicContact CB-CG 4.25Å; N52-M54 PolarHBondContact O-N 2.75Å |
| 53 | G | 92.9 | Very high | 94.4 | Very high | 72 Ų | 72 | 70.8 Ų | 70.8 | 74% | 0.742 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 28.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C49 L50 | C49-G53 PolarHBondContact O-N 3.07Å; L50-G53 PolarHBondContact O-N 3.45Å |
| 54 | M | 94.8 | Very high | 94.2 | Very high | 116 Ų | 116 | 66.7 Ų | 66.7 | 57% | 0.571 | 38% | 0.376 | S | S | * | . | trans | -116.6 | 149.1 | -178.7 | -62.4 | -167.8 | -62.1 | 0 | 0 | 110.6 | C49 N52 | C49-M54 VanDerWaalsContact CB-O 3.31Å; C49-M54 WeakPolarHBondContact CB-O 3.3Å; C49-M54 PolarHBondContact O-N 3.45Å; C49-M54 VanDerWaalsContact O-N 3.15Å; N52-M54 HydrophobicContact CB-CE 3.84Å; N52-M54 HydrophobicContact CB-CG 4.25Å; N52-M54 PolarHBondContact O-N 2.75Å | ||
| 55 | L | 95.6 | Very high | 93.9 | Very high | 77 Ų | 77 | 66.3 Ų | 66.3 | 40% | 0.403 | 37% | 0.371 | S | S | . | . | trans | -79.6 | 144.6 | 170.7 | -60.5 | 179.4 | 0 | 0 | 0 | 110.1 | Y145 | L55-Y145 HydrophobicContact CD2-CD1 4.09Å; L55-Y145 HydrophobicContact CD2-CE1 3.52Å | ||
| 56 | F | 96.7 | Very high | 93.7 | Very high | 16 Ų | 16 | 67.2 Ų | 67.2 | 7% | 0.07 | 38% | 0.381 | C | S | . | . | trans | -65.1 | 135.9 | 178.1 | -178 | -116.6 | 0 | 0 | 0 | 110.9 | L45 D58 R87 A146 I148 V163 D165 | L45-F56 HydrophobicContact CB-CE2 4.41Å; L45-F56 HydrophobicContact CD1-CE2 4.02Å; L45-F56 HydrophobicContact CD1-CZ 4.11Å; L45-F56 HydrophobicContact CD2-CE2 4.26Å; L45-F56 HydrophobicContact CG-CE2 4.47Å; F56-D58 HydrophobicContact CE1-CB 3.85Å; F56-D58 HydrophobicContact CZ-CB 4.24Å; F56-R87 PolarHBondContact O-NH1 3.08Å; F56-R87 PolarHBondContact O-NH2 3.43Å; F56-A146 PolarHBondContact N-O 2.94Å; F56-I148 HydrophobicContact CB-CB 3.72Å; F56-I148 HydrophobicContact CB-CD1 4.39Å; F56-I148 HydrophobicContact CB-CG1 4.3Å; F56-I148 HydrophobicContact CD1-CB 3.89Å; F56-I148 HydrophobicContact CD1-CD1 3.9Å; F56-I148 HydrophobicContact CD1-CG1 3.63Å; F56-I148 HydrophobicContact CD2-CD1 4.13Å; F56-I148 HydrophobicContact CE1-CD1 4.19Å; F56-I148 HydrophobicContact CE1-CG1 4.11Å; F56-I148 HydrophobicContact CE2-CD1 4.41Å; F56-I148 HydrophobicContact CG-CB 3.97Å; F56-I148 HydrophobicContact CG-CD1 3.88Å; F56-I148 HydrophobicContact CG-CG1 3.97Å; F56-I148 HydrophobicContact CZ-CD1 4.44Å; F56-V163 HydrophobicContact CE1-CG1 4.15Å; F56-V163 HydrophobicContact CZ-CG1 4.43Å; F56-D165 HydrophobicContact CD1-CB 3.73Å; F56-D165 HydrophobicContact CE1-CB 4.34Å; F56-D165 WeakPolarHBondContact O-CB 3.27Å | ||
| 57 | E | 95.6 | Very high | 93.6 | Very high | 130 Ų | 130 | 65.9 Ų | 65.9 | 61% | 0.607 | 38% | 0.375 | S | S | * | . | trans | -124.6 | 117.6 | 171.8 | -63.4 | -165.1 | 173.7 | 0 | 0 | 108.2 | S59 R167 | E57-S59 PolarHBondContact O-N 2.95Å; E57-S59 VanDerWaalsContact O-N 3.14Å; E57-R167 IonicContact OE1-NH1 3.94Å; E57-R167 IonicContact OE2-NH1 2.63Å | ||
| 58 | D | 95 | Very high | 93.5 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.011 | 36% | 0.359 | C | S | . | . | trans | -77.7 | 103.9 | -177.4 | -168.1 | -1.8 | 0 | 0 | 0 | 111 | Q40 F56 L60 F61 D165 K197 | Q40-D58 PolarHBondContact NE2-OD1 3.27Å; Q40-D58 VanDerWaalsContact NE2-OD1 3.08Å; F56-D58 HydrophobicContact CE1-CB 3.85Å; F56-D58 HydrophobicContact CZ-CB 4.24Å; D58-L60 PolarHBondContact O-N 3.46Å; D58-L60 PolarHBondContact OD1-N 2.87Å; D58-F61 CarbonylContact O-C 3.52Å; D58-F61 PolarHBondContact OD1-N 3.18Å; D58-F61 WeakPolarHBondContact OD2-CB 3.3Å; D58-D165 HydrophobicContact CB-CB 4.41Å; D58-D165 VanDerWaalsContact CB-OD2 3.27Å; D58-D165 WeakPolarHBondContact CB-OD2 3.47Å; D58-D165 PolarHBondContact N-OD2 2.91Å; D58-K197 IonicContact OD1-NZ 3.65Å; D58-K197 PolarHBondContact OD1-NZ 3.39Å; D58-K197 WeakPolarHBondContact OD2-CE 3.33Å; D58-K197 IonicContact OD2-NZ 2.77Å; D58-K197 PolarHBondContact OD2-NZ 3.42Å | ||
| 59 | S | 92.5 | Very high | 93.3 | Very high | 100 Ų | 100 | 59.5 Ų | 59.5 | 70% | 0.699 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -68.7 | -21.5 | 176.4 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | E57 | E57-S59 PolarHBondContact O-N 2.95Å; E57-S59 VanDerWaalsContact O-N 3.14Å |
| 60 | L | 92.4 | Very high | 92.9 | Very high | 81 Ų | 81 | 62.2 Ų | 62.2 | 42% | 0.424 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -91.4 | -15.7 | -176.8 | -58.4 | -177 | 0 | 0 | 0 | 112.7 | L38 Q40 D58 | L38-L60 HydrophobicContact CB-CD1 3.44Å; L38-L60 VanDerWaalsContact CB-CD1 3.44Å; L38-L60 HydrophobicContact CD1-CB 3.76Å; L38-L60 HydrophobicContact CD1-CD1 3.65Å; L38-L60 HydrophobicContact CD1-CG 4.26Å; L38-L60 HydrophobicContact CG-CD1 4.18Å; Q40-L60 VanDerWaalsContact CD-CD1 3.5Å; Q40-L60 HydrophobicContact CG-CD1 3.82Å; D58-L60 PolarHBondContact O-N 3.46Å; D58-L60 PolarHBondContact OD1-N 2.87Å |
| 61 | F | 95 | Very high | 92.6 | Very high | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -135.8 | 74 | 170.9 | -164.5 | -106.7 | 0 | 0 | 0 | 109.9 | D58 W85 K193 A196 K197 Y202 | D58-F61 CarbonylContact O-C 3.52Å; D58-F61 PolarHBondContact OD1-N 3.18Å; D58-F61 WeakPolarHBondContact OD2-CB 3.3Å; F61-W85 HydrophobicContact CE1-CH2 4.23Å; F61-K193 HydrophobicContact CE1-CG 4.16Å; F61-A196 HydrophobicContact CZ-CB 4.31Å; F61-K197 HydrophobicContact CB-CB 4.29Å; F61-K197 HydrophobicContact CB-CD 3.68Å; F61-K197 HydrophobicContact CB-CG 3.83Å; F61-K197 HydrophobicContact CD1-CB 4.19Å; F61-K197 HydrophobicContact CD2-CB 3.74Å; F61-K197 HydrophobicContact CD2-CG 3.85Å; F61-K197 HydrophobicContact CE1-CB 4.43Å; F61-K197 HydrophobicContact CE2-CB 4.02Å; F61-K197 HydrophobicContact CG-CB 3.82Å; F61-K197 HydrophobicContact CG-CD 4.15Å; F61-K197 HydrophobicContact CG-CG 3.88Å; F61-K197 HydrophobicContact CZ-CB 4.35Å; F61-Y202 HydrophobicContact CE1-CE2 4.21Å; F61-Y202 HydrophobicContact CZ-CD2 4.33Å; F61-Y202 HydrophobicContact CZ-CE2 4.31Å |
| 62 | P | 93.4 | Very high | 92.1 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 34% | 0.344 | 35% | 0.345 | S | S | . | . | trans | -68 | 156.2 | -169.9 | 27.8 | -35.5 | 0 | 0 | 0 | 112 | A64 S67 | P62-A64 HydrophobicContact CB-CB 4.4Å; P62-A64 HydrophobicContact CG-CB 4.3Å; P62-A64 PolarHBondContact O-N 3.44Å; P62-S67 VanDerWaalsContact O-CB 3.28Å; P62-S67 WeakPolarHBondContact O-CB 3.4Å; P62-S67 PolarHBondContact O-OG 2.93Å | ||
| 63 | C | 92.4 | Very high | 91.8 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 28% | 0.277 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -72.6 | 59.4 | 171.4 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | W85 R167 | C63-W85 HydrophobicContact CB-CB 3.76Å; C63-W85 HydrophobicContact CB-CD2 3.64Å; C63-W85 HydrophobicContact CB-CE3 4.19Å; C63-W85 HydrophobicContact CB-CG 3.43Å; C63-W85 VanDerWaalsContact CB-CG 3.43Å; C63-W85 VanDerWaalsContact SG-CD2 3.6Å; C63-W85 VanDerWaalsContact SG-CE3 3.53Å; C63-R167 VanDerWaalsContact SG-CB 3.59Å; C63-R167 WeakPolarHBondContact SG-CD 3.24Å; C63-R167 PolarHBondContact SG-NE 2.83Å |
| 64 | A | 90.4 | Very high | 91.4 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 28% | 0.281 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -123.5 | 163.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P62 S66 S67 | P62-A64 HydrophobicContact CB-CB 4.4Å; P62-A64 HydrophobicContact CG-CB 4.3Å; P62-A64 PolarHBondContact O-N 3.44Å; A64-S66 PolarHBondContact O-N 3.39Å; A64-S67 WeakPolarHBondContact O-CB 3.28Å; A64-S67 PolarHBondContact O-N 3.33Å |
| 65 | T | 88.3 | Confident | 90.8 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.8 | -27 | 176.6 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | S67 L68 G69 | T65-S67 PolarHBondContact O-N 3.34Å; T65-L68 WeakPolarHBondContact O-CB 3.49Å; T65-L68 PolarHBondContact O-N 2.92Å; T65-L68 VanDerWaalsContact O-N 3.16Å; T65-G69 PolarHBondContact O-N 3.17Å; T65-G69 VanDerWaalsContact O-N 3.11Å |
| 66 | S | 90.1 | Very high | 90.2 | Very high | 57 Ų | 57 | 59.2 Ų | 59.2 | 40% | 0.399 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -26.7 | 175 | 54 | 0 | 0 | 0 | 0 | 113.8 | A64 R428 | A64-S66 PolarHBondContact O-N 3.39Å; S66-R428 PolarHBondContact O-NH2 3.03Å; S66-R428 VanDerWaalsContact O-NH2 3.09Å |
| 67 | S | 93.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -83.5 | -23.4 | 178.3 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | P62 A64 T65 C201 Y202 | P62-S67 VanDerWaalsContact O-CB 3.28Å; P62-S67 WeakPolarHBondContact O-CB 3.4Å; P62-S67 PolarHBondContact O-OG 2.93Å; A64-S67 WeakPolarHBondContact O-CB 3.28Å; A64-S67 PolarHBondContact O-N 3.33Å; T65-S67 PolarHBondContact O-N 3.34Å; S67-C201 VanDerWaalsContact O-CA 3.24Å; S67-C201 WeakPolarHBondContact O-CA 3.08Å; S67-C201 WeakPolarHBondContact O-CB 3.24Å; S67-Y202 WeakPolarHBondContact O-CD2 3.28Å; S67-Y202 PolarHBondContact O-N 3.44Å |
| 68 | L | 92 | Very high | 89.2 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74.8 | -48.1 | 171.5 | -60.7 | 176.9 | 0 | 0 | 0 | 110.7 | T65 L73 T80 V83 W85 P169 F177 Y202 E203 | T65-L68 WeakPolarHBondContact O-CB 3.49Å; T65-L68 PolarHBondContact O-N 2.92Å; T65-L68 VanDerWaalsContact O-N 3.16Å; L68-L73 HydrophobicContact CB-CB 4.42Å; L68-T80 HydrophobicContact CB-CG2 4.31Å; L68-T80 HydrophobicContact CD1-CG2 3.84Å; L68-V83 HydrophobicContact CD1-CB 4.37Å; L68-V83 HydrophobicContact CD1-CG1 4.03Å; L68-W85 HydrophobicContact CD2-CH2 4.42Å; L68-W85 HydrophobicContact CD2-CZ2 3.81Å; L68-W85 HydrophobicContact CG-CZ2 4.15Å; L68-P169 HydrophobicContact CD2-CB 3.88Å; L68-P169 HydrophobicContact CD2-CG 3.66Å; L68-F177 HydrophobicContact CD2-CE2 3.96Å; L68-F177 HydrophobicContact CD2-CZ 4.2Å; L68-Y202 HydrophobicContact CD2-CD2 4.3Å; L68-Y202 WeakPolarHBondContact O-CB 3.23Å; L68-Y202 PolarHBondContact O-N 2.9Å; L68-E203 WeakPolarHBondContact O-CB 3.42Å; L68-E203 PolarHBondContact O-N 2.76Å |
| 69 | G | 90.6 | Very high | 88.7 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | trans | 176 | -169.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T65 L73 E203 | T65-G69 PolarHBondContact O-N 3.17Å; T65-G69 VanDerWaalsContact O-N 3.11Å; G69-L73 WeakPolarHBondContact CA-O 3.3Å; G69-L73 PolarHBondContact N-O 2.93Å; G69-E203 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 70 | F | 87.1 | Confident | 88.4 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -132.7 | -22.4 | -174.7 | 52.9 | -91.5 | 0 | 0 | 0 | 113.4 | E203 R427 R428 | F70-E203 HydrophobicContact CD1-CB 4.43Å; F70-E203 HydrophobicContact CE1-CB 4.2Å; F70-E203 HydrophobicContact CE1-CG 4.27Å; F70-E203 HydrophobicContact CZ-CG 4.44Å; F70-E203 PolarHBondContact N-OE2 3.43Å; F70-R427 HydrophobicContact CZ-CB 3.87Å; F70-R428 HydrophobicContact CB-CG 4.15Å; F70-R428 HydrophobicContact CD1-CG 3.4Å; F70-R428 HydrophobicContact CD2-CG 4.33Å; F70-R428 HydrophobicContact CE1-CG 3.78Å; F70-R428 HydrophobicContact CG-CG 3.71Å; F70-R428 HydrophobicContact CZ-CG 4.41Å |
| 71 | N | 86.4 | Confident | 88 | Confident | 115 Ų | 115 | 59 Ų | 59 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -128.1 | -88.2 | 179.5 | -177.9 | 35 | 0 | 0 | 0 | 111.2 | L73 G74 E203 | N71-L73 VanDerWaalsContact C-N 3.27Å; N71-L73 PolarHBondContact O-N 3.42Å; N71-G74 PolarHBondContact O-N 3.05Å; N71-E203 WeakPolarHBondContact CA-OE1 3.21Å; N71-E203 VanDerWaalsContact CB-OE1 3.31Å; N71-E203 WeakPolarHBondContact CB-OE1 3.33Å; N71-E203 PolarHBondContact N-OE1 2.99Å; N71-E203 PolarHBondContact N-OE2 2.99Å |
| 72 | E | 85.9 | Confident | 87.7 | Confident | 106 Ų | 106 | 61.4 Ų | 61.4 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30.4 | -179.9 | -70.8 | -154.7 | -172.6 | 0 | 0 | 113.3 | S77 K79 E203 | E72-S77 WeakPolarHBondContact O-CB 3.43Å; E72-S77 PolarHBondContact O-OG 3.25Å; E72-K79 IonicContact OE2-NZ 3.31Å; E72-K79 PolarHBondContact OE2-NZ 3.39Å; E72-E203 PolarHBondContact N-OE1 2.78Å; E72-E203 PolarHBondContact N-OE2 3.35Å |
| 73 | L | 86.4 | Confident | 87.6 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 21.6 | 171.6 | -60 | 177.8 | 0 | 0 | 0 | 111.3 | L68 G69 N71 K79 T80 L112 F177 E203 | L68-L73 HydrophobicContact CB-CB 4.42Å; G69-L73 WeakPolarHBondContact CA-O 3.3Å; G69-L73 PolarHBondContact N-O 2.93Å; N71-L73 VanDerWaalsContact C-N 3.27Å; N71-L73 PolarHBondContact O-N 3.42Å; L73-K79 HydrophobicContact CD2-CB 4.02Å; L73-K79 HydrophobicContact CD2-CD 4.3Å; L73-T80 HydrophobicContact CB-CG2 3.93Å; L73-T80 HydrophobicContact CD2-CG2 3.96Å; L73-T80 WeakPolarHBondContact O-CG2 3.3Å; L73-L112 HydrophobicContact CD1-CD1 3.82Å; L73-F177 HydrophobicContact CD1-CE1 4.06Å; L73-F177 HydrophobicContact CD1-CZ 4.07Å; L73-E203 HydrophobicContact CB-CB 4.19Å; L73-E203 HydrophobicContact CB-CG 4.43Å; L73-E203 HydrophobicContact CD1-CB 4.28Å; L73-E203 PolarHBondContact N-OE2 2.94Å |
| 74 | G | 85.5 | Confident | 87.7 | Confident | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -73.5 | 176.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N71 R76 S77 T80 | N71-G74 PolarHBondContact O-N 3.05Å; G74-R76 PolarHBondContact O-N 3.28Å; G74-R76 VanDerWaalsContact O-N 3.14Å; G74-S77 WeakPolarHBondContact O-CB 3.35Å; G74-S77 PolarHBondContact O-N 2.95Å; G74-S77 VanDerWaalsContact O-N 3.16Å; G74-T80 PolarHBondContact O-OG1 3.21Å |
| 75 | P | 81.9 | Confident | 87.9 | Confident | 90 Ų | 90 | 67.5 Ų | 67.5 | 58% | 0.584 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.3 | -176.8 | -22 | 31.8 | 0 | 0 | 0 | 115.4 | ||
| 76 | R | 83.1 | Confident | 88.2 | Confident | 253 Ų | 253 | 66.8 Ų | 66.8 | 96% | 0.955 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 1.4 | -178.6 | -63 | -176.2 | -177.1 | 175.3 | 1.8 | 113.3 | G74 | G74-R76 PolarHBondContact O-N 3.28Å; G74-R76 VanDerWaalsContact O-N 3.14Å |
| 77 | S | 86.3 | Confident | 88.5 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 16% | 0.161 | 33% | 0.333 | C | S | . | . | trans | -79.2 | 138.5 | -177.6 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | E72 G74 K79 T80 S81 | E72-S77 WeakPolarHBondContact O-CB 3.43Å; E72-S77 PolarHBondContact O-OG 3.25Å; G74-S77 WeakPolarHBondContact O-CB 3.35Å; G74-S77 PolarHBondContact O-N 2.95Å; G74-S77 VanDerWaalsContact O-N 3.16Å; S77-K79 PolarHBondContact O-N 2.94Å; S77-K79 WeakPolarHBondContact OG-CB 3.38Å; S77-K79 PolarHBondContact OG-N 3.21Å; S77-K79 VanDerWaalsContact OG-N 3.14Å; S77-T80 PolarHBondContact O-N 2.94Å; S77-T80 PolarHBondContact O-OG1 2.92Å; S77-S81 PolarHBondContact O-N 3.39Å | ||
| 78 | S | 85.8 | Confident | 88.5 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.3 | 170.1 | 56 | 0 | 0 | 0 | 0 | 112.1 | T80 S81 | S78-T80 VanDerWaalsContact C-N 3.3Å; S78-T80 PolarHBondContact O-N 3.38Å; S78-S81 PolarHBondContact O-N 3.48Å |
| 79 | K | 83.9 | Confident | 88.5 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 46% | 0.457 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -39.7 | 178.7 | -63.9 | -175.1 | 179.7 | -179.4 | 0 | 111.1 | E72 L73 S77 K171 | E72-K79 IonicContact OE2-NZ 3.31Å; E72-K79 PolarHBondContact OE2-NZ 3.39Å; L73-K79 HydrophobicContact CD2-CB 4.02Å; L73-K79 HydrophobicContact CD2-CD 4.3Å; S77-K79 PolarHBondContact O-N 2.94Å; S77-K79 WeakPolarHBondContact OG-CB 3.38Å; S77-K79 PolarHBondContact OG-N 3.21Å; S77-K79 VanDerWaalsContact OG-N 3.14Å; K79-K171 PolarHBondContact O-NZ 3.06Å |
| 80 | T | 85.7 | Confident | 88.6 | Confident | 12 Ų | 12 | 72.6 Ų | 72.6 | 7% | 0.074 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -6.2 | -177.8 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | L68 L73 G74 S77 S78 G82 V83 | L68-T80 HydrophobicContact CB-CG2 4.31Å; L68-T80 HydrophobicContact CD1-CG2 3.84Å; L73-T80 HydrophobicContact CB-CG2 3.93Å; L73-T80 HydrophobicContact CD2-CG2 3.96Å; L73-T80 WeakPolarHBondContact O-CG2 3.3Å; G74-T80 PolarHBondContact O-OG1 3.21Å; S77-T80 PolarHBondContact O-N 2.94Å; S77-T80 PolarHBondContact O-OG1 2.92Å; S78-T80 VanDerWaalsContact C-N 3.3Å; S78-T80 PolarHBondContact O-N 3.38Å; T80-G82 PolarHBondContact O-N 3.28Å; T80-V83 WeakPolarHBondContact O-CB 3.31Å; T80-V83 VanDerWaalsContact O-CG2 3.31Å; T80-V83 WeakPolarHBondContact O-CG2 3.3Å; T80-V83 PolarHBondContact O-N 3.07Å |
| 81 | S | 85.2 | Confident | 88.6 | Confident | 83 Ų | 83 | 71.7 Ų | 71.7 | 58% | 0.58 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 129.6 | 174 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | S77 S78 V83 K171 | S77-S81 PolarHBondContact O-N 3.39Å; S78-S81 PolarHBondContact O-N 3.48Å; S81-V83 VanDerWaalsContact C-N 3.33Å; S81-K171 WeakPolarHBondContact O-CE 3.48Å; S81-K171 PolarHBondContact O-NZ 2.94Å |
| 82 | G | 87 | Confident | 88.7 | Confident | 57 Ų | 57 | 67.3 Ų | 67.3 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 1.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T80 | T80-G82 PolarHBondContact O-N 3.28Š|
| 83 | V | 91.9 | Very high | 88.7 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 16% | 0.164 | 37% | 0.374 | C | S | . | . | trans | -68.9 | 132.4 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | L68 T80 S81 P169 V170 K171 L176 | L68-V83 HydrophobicContact CD1-CB 4.37Å; L68-V83 HydrophobicContact CD1-CG1 4.03Å; T80-V83 WeakPolarHBondContact O-CB 3.31Å; T80-V83 VanDerWaalsContact O-CG2 3.31Å; T80-V83 WeakPolarHBondContact O-CG2 3.3Å; T80-V83 PolarHBondContact O-N 3.07Å; S81-V83 VanDerWaalsContact C-N 3.33Å; V83-P169 HydrophobicContact CG1-CB 3.96Å; V83-V170 WeakPolarHBondContact CA-O 3.45Å; V83-K171 HydrophobicContact CG2-CB 4.42Å; V83-K171 HydrophobicContact CG2-CD 4.39Å; V83-L176 HydrophobicContact CG2-CD2 3.85Å | ||
| 84 | R | 93.8 | Very high | 88.8 | Confident | 185 Ų | 185 | 83 Ų | 83 | 70% | 0.698 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 147.8 | 173.5 | -62.9 | -177.5 | -176.2 | 170.4 | 1.7 | 109.4 | M86 V170 | R84-M86 HydrophobicContact CB-CG 4.44Å; R84-V170 PolarHBondContact N-O 3.35Å; R84-V170 PolarHBondContact O-N 3.2Å |
| 85 | W | 95.1 | Very high | 89.1 | Confident | 44 Ų | 44 | 83.6 Ų | 83.6 | 17% | 0.167 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 118.3 | 174 | -69.1 | 80.3 | 0 | 0 | 0 | 108.3 | F61 C63 L68 R167 L168 P169 Y202 | F61-W85 HydrophobicContact CE1-CH2 4.23Å; C63-W85 HydrophobicContact CB-CB 3.76Å; C63-W85 HydrophobicContact CB-CD2 3.64Å; C63-W85 HydrophobicContact CB-CE3 4.19Å; C63-W85 HydrophobicContact CB-CG 3.43Å; C63-W85 VanDerWaalsContact CB-CG 3.43Å; C63-W85 VanDerWaalsContact SG-CD2 3.6Å; C63-W85 VanDerWaalsContact SG-CE3 3.53Å; L68-W85 HydrophobicContact CD2-CH2 4.42Å; L68-W85 HydrophobicContact CD2-CZ2 3.81Å; L68-W85 HydrophobicContact CG-CZ2 4.15Å; W85-R167 HydrophobicContact CB-CB 4.31Å; W85-R167 HydrophobicContact CE3-CB 4.2Å; W85-R167 VanDerWaalsContact CE3-O 3.25Å; W85-R167 WeakPolarHBondContact CZ3-O 3.46Å; W85-L168 WeakPolarHBondContact CA-O 3.22Å; W85-P169 HydrophobicContact CD2-CG 4.27Å; W85-P169 HydrophobicContact CE3-CG 4.03Å; W85-P169 HydrophobicContact CH2-CG 3.76Å; W85-P169 HydrophobicContact CZ2-CG 3.99Å; W85-P169 HydrophobicContact CZ3-CG 3.77Å; W85-Y202 HydrophobicContact CH2-CE2 4.02Å |
| 86 | M | 95.4 | Very high | 89.5 | Confident | 48 Ų | 48 | 82.6 Ų | 82.6 | 24% | 0.236 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.7 | -176.3 | -64.9 | -175.5 | 63.9 | 0 | 0 | 110.6 | R84 E90 L91 L168 V170 | R84-M86 HydrophobicContact CB-CG 4.44Å; M86-E90 WeakPolarHBondContact CA-OE2 3.24Å; M86-E90 WeakPolarHBondContact CB-OE2 3.31Å; M86-E90 HydrophobicContact CE-CB 3.71Å; M86-L91 HydrophobicContact CB-CD2 4.22Å; M86-L91 HydrophobicContact CB-CG 4.25Å; M86-L91 HydrophobicContact CE-CD2 3.86Å; M86-L91 HydrophobicContact CE-CG 4.5Å; M86-L91 HydrophobicContact SD-CD2 3.95Å; M86-L168 PolarHBondContact N-O 3.18Å; M86-L168 PolarHBondContact O-N 3.48Å; M86-V170 HydrophobicContact CB-CG2 4.14Å; M86-V170 HydrophobicContact CG-CB 4.46Å; M86-V170 HydrophobicContact SD-CB 4.35Å; M86-V170 HydrophobicContact SD-CG1 4.05Å |
| 87 | R | 95.6 | Very high | 89.8 | Confident | 14 Ų | 14 | 71 Ų | 71 | 5% | 0.053 | 35% | 0.354 | C | S | . | . | trans | -83.8 | 153.4 | 174.4 | -61.2 | -171.4 | -175 | -103.1 | 3.4 | 110.5 | F56 S89 E90 L91 G147 D166 R167 | F56-R87 PolarHBondContact O-NH1 3.08Å; F56-R87 PolarHBondContact O-NH2 3.43Å; R87-S89 PolarHBondContact O-N 2.92Å; R87-S89 VanDerWaalsContact O-N 3.13Å; R87-E90 HydrophobicContact CB-CG 4.32Å; R87-E90 PolarHBondContact N-OE2 3.02Å; R87-E90 WeakPolarHBondContact O-CB 3.32Å; R87-E90 PolarHBondContact O-N 3.46Å; R87-L91 PolarHBondContact O-N 3.44Å; R87-G147 PolarHBondContact NH1-O 2.89Å; R87-D166 WeakPolarHBondContact CD-OD1 3.39Å; R87-D166 VanDerWaalsContact CG-OD1 3.24Å; R87-D166 WeakPolarHBondContact CG-OD1 3.34Å; R87-D166 IonicContact CZ-OD1 2.87Å; R87-D166 IonicContact NE-OD1 3.68Å; R87-D166 IonicContact NH1-OD1 3.96Å; R87-D166 PolarHBondContact NH1-OD1 3.08Å; R87-R167 HydrophobicContact CG-CG 3.76Å | ||
| 88 | P | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -51.1 | -35.2 | 173.8 | -34.1 | 38.3 | 0 | 0 | 0 | 114.5 | E90 L91 C92 P95 F141 D166 L168 F186 | P88-E90 PolarHBondContact O-N 2.8Å; P88-L91 PolarHBondContact O-N 2.94Å; P88-C92 PolarHBondContact O-N 2.93Å; P88-C92 PolarHBondContact O-SG 2.69Å; P88-C92 VanDerWaalsContact O-SG 3.37Å; P88-P95 HydrophobicContact CB-CB 3.61Å; P88-P95 HydrophobicContact CB-CG 4.37Å; P88-F141 HydrophobicContact CB-CE1 3.84Å; P88-F141 HydrophobicContact CB-CZ 3.95Å; P88-F141 HydrophobicContact CG-CE1 3.74Å; P88-F141 HydrophobicContact CG-CZ 3.73Å; P88-D166 WeakPolarHBondContact CD-O 3.47Å; P88-L168 HydrophobicContact CG-CD1 4.32Å; P88-F186 HydrophobicContact CB-CD1 3.95Å; P88-F186 HydrophobicContact CB-CD2 3.75Å; P88-F186 HydrophobicContact CB-CE1 3.96Å; P88-F186 HydrophobicContact CB-CE2 3.78Å; P88-F186 HydrophobicContact CB-CG 3.84Å; P88-F186 HydrophobicContact CB-CZ 3.89Å; P88-F186 HydrophobicContact CG-CB 4.22Å; P88-F186 HydrophobicContact CG-CD1 3.76Å; P88-F186 HydrophobicContact CG-CD2 4.22Å; P88-F186 HydrophobicContact CG-CE1 4.16Å; P88-F186 HydrophobicContact CG-CG 3.8Å |
| 89 | S | 91.5 | Very high | 89.4 | Confident | 61 Ų | 61 | 69.2 Ų | 69.2 | 43% | 0.427 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.1 | -18.7 | 176.1 | 52.2 | 0 | 0 | 0 | 0 | 114.4 | R87 | R87-S89 PolarHBondContact O-N 2.92Å; R87-S89 VanDerWaalsContact O-N 3.13Å |
| 90 | E | 92.5 | Very high | 88.6 | Confident | 113 Ų | 113 | 72.3 Ų | 72.3 | 53% | 0.528 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -91 | -22.4 | 175.1 | -58.9 | 169.1 | 173.1 | 0 | 0 | 111.9 | M86 R87 P88 | M86-E90 WeakPolarHBondContact CA-OE2 3.24Å; M86-E90 WeakPolarHBondContact CB-OE2 3.31Å; M86-E90 HydrophobicContact CE-CB 3.71Å; R87-E90 HydrophobicContact CB-CG 4.32Å; R87-E90 PolarHBondContact N-OE2 3.02Å; R87-E90 WeakPolarHBondContact O-CB 3.32Å; R87-E90 PolarHBondContact O-N 3.46Å; P88-E90 PolarHBondContact O-N 2.8Å |
| 91 | L | 88.4 | Confident | 88.1 | Confident | 55 Ų | 55 | 73.5 Ų | 73.5 | 29% | 0.288 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -90.8 | -38.7 | -177.8 | -65.2 | 171.6 | 0 | 0 | 0 | 112.5 | M86 R87 P88 V170 L175 F186 | M86-L91 HydrophobicContact CB-CD2 4.22Å; M86-L91 HydrophobicContact CB-CG 4.25Å; M86-L91 HydrophobicContact CE-CD2 3.86Å; M86-L91 HydrophobicContact CE-CG 4.5Å; M86-L91 HydrophobicContact SD-CD2 3.95Å; R87-L91 PolarHBondContact O-N 3.44Å; P88-L91 PolarHBondContact O-N 2.94Å; L91-V170 HydrophobicContact CD1-CG2 3.84Å; L91-V170 HydrophobicContact CD2-CG1 4.1Å; L91-V170 HydrophobicContact CD2-CG2 3.95Å; L91-V170 HydrophobicContact CG-CG2 4.47Å; L91-L175 HydrophobicContact CD1-CD2 4.01Å; L91-L175 HydrophobicContact CD1-CG 4.49Å; L91-F186 HydrophobicContact CD1-CE1 4.4Å |
| 92 | C | 88.1 | Confident | 87.8 | Confident | 24 Ų | 24 | 70 Ų | 70 | 16% | 0.162 | 35% | 0.348 | C | S | . | . | trans | -136.6 | 155.3 | -177.4 | 75.3 | 0 | 0 | 0 | 0 | 111.8 | P88 R94 P95 F186 | P88-C92 PolarHBondContact O-N 2.93Å; P88-C92 PolarHBondContact O-SG 2.69Å; P88-C92 VanDerWaalsContact O-SG 3.37Å; C92-R94 PolarHBondContact O-N 3.4Å; C92-P95 WeakPolarHBondContact SG-CA 3.03Å; C92-P95 VanDerWaalsContact SG-N 3.42Å; C92-F186 VanDerWaalsContact SG-CE2 3.56Å | ||
| 93 | R | 85.1 | Confident | 87.4 | Confident | 252 Ų | 252 | 69.7 Ų | 69.7 | 95% | 0.951 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -72.8 | -26.8 | -175.3 | -69.7 | -176.4 | 178.2 | 172.6 | 0.2 | 113.9 | ||
| 94 | R | 88.5 | Confident | 86.7 | Confident | 194 Ų | 194 | 71.1 Ų | 71.1 | 73% | 0.732 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -140.3 | 78.6 | -176.8 | -69.6 | -172.5 | -66.2 | 178.9 | 1.9 | 108.4 | C92 | C92-R94 PolarHBondContact O-N 3.4Š|
| 95 | P | 91.8 | Very high | 85.8 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | trans | -68.5 | 135.1 | 174.8 | 28.7 | -33.8 | 0 | 0 | 0 | 109.4 | P88 C92 F141 Q142 F186 | P88-P95 HydrophobicContact CB-CB 3.61Å; P88-P95 HydrophobicContact CB-CG 4.37Å; C92-P95 WeakPolarHBondContact SG-CA 3.03Å; C92-P95 VanDerWaalsContact SG-N 3.42Å; P95-F141 HydrophobicContact CB-CB 4.4Å; P95-F141 HydrophobicContact CB-CD1 4.22Å; P95-F141 HydrophobicContact CB-CD2 4.07Å; P95-F141 HydrophobicContact CB-CE2 4.39Å; P95-F141 HydrophobicContact CB-CG 3.98Å; P95-F141 HydrophobicContact CG-CB 4.03Å; P95-F141 HydrophobicContact CG-CD1 4.2Å; P95-F141 HydrophobicContact CG-CG 4.04Å; P95-F141 WeakPolarHBondContact O-CB 3.47Å; P95-Q142 PolarHBondContact O-NE2 2.97Å; P95-F186 HydrophobicContact CB-CD2 4.06Å; P95-F186 HydrophobicContact CB-CE2 3.85Å | ||
| 96 | E | 90.9 | Very high | 85 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -120.2 | 147.5 | 173.8 | -61 | -159 | 177.5 | 0 | 0 | 109.3 | V99 F141 T184 E185 F186 | E96-V99 HydrophobicContact CB-CG2 3.59Å; E96-V99 HydrophobicContact CG-CG2 4.28Å; E96-V99 WeakPolarHBondContact OE2-CG2 3.39Å; E96-F141 VanDerWaalsContact C-CD2 3.46Å; E96-F141 WeakPolarHBondContact O-CE2 3.33Å; E96-T184 PolarHBondContact N-O 3.21Å; E96-E185 WeakPolarHBondContact O-CA 3.02Å; E96-F186 PolarHBondContact O-N 3.01Å |
| 97 | F | 90 | Very high | 84.4 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -76.5 | -56.4 | 179.5 | -174.2 | -112.4 | 0 | 0 | 0 | 108.9 | V135 Q139 F141 F149 F151 E185 W187 L190 | F97-V135 HydrophobicContact CE1-CG1 3.64Å; F97-V135 HydrophobicContact CZ-CG1 3.79Å; F97-Q139 HydrophobicContact CD1-CB 3.85Å; F97-Q139 HydrophobicContact CE1-CB 3.74Å; F97-Q139 HydrophobicContact CE1-CG 4.49Å; F97-Q139 HydrophobicContact CE2-CB 4.45Å; F97-Q139 HydrophobicContact CG-CB 4.26Å; F97-Q139 HydrophobicContact CZ-CB 4.06Å; F97-F141 HydrophobicContact CB-CD2 4.15Å; F97-F141 HydrophobicContact CB-CE2 4.1Å; F97-F141 HydrophobicContact CD2-CE2 4.3Å; F97-F149 AromaticContact CD2-CD1 3.69Å; F97-F149 HydrophobicContact CD2-CD1 3.69Å; F97-F149 AromaticContact CD2-CE1 3.43Å; F97-F149 HydrophobicContact CD2-CE1 3.43Å; F97-F149 VanDerWaalsContact CD2-CE1 3.43Å; F97-F149 HydrophobicContact CD2-CZ 4.36Å; F97-F149 AromaticContact CE2-CD1 3.48Å; F97-F149 HydrophobicContact CE2-CD1 3.48Å; F97-F149 VanDerWaalsContact CE2-CD1 3.48Å; F97-F149 AromaticContact CE2-CE1 3.76Å; F97-F149 HydrophobicContact CE2-CE1 3.76Å; F97-F149 HydrophobicContact CE2-CG 4.4Å; F97-F149 HydrophobicContact CG-CE1 4.15Å; F97-F149 HydrophobicContact CZ-CD1 4.25Å; F97-F151 HydrophobicContact CE2-CZ 4.16Å; F97-F151 HydrophobicContact CZ-CE1 4.1Å; F97-F151 HydrophobicContact CZ-CZ 4.02Å; F97-E185 WeakPolarHBondContact O-CG 3.34Å; F97-W187 HydrophobicContact CD1-CB 4.35Å; F97-W187 HydrophobicContact CD2-CB 4.15Å; F97-W187 HydrophobicContact CE1-CB 4.1Å; F97-W187 HydrophobicContact CE2-CB 3.89Å; F97-W187 HydrophobicContact CG-CB 4.37Å; F97-W187 HydrophobicContact CZ-CB 3.87Å; F97-W187 VanDerWaalsContact O-CB 3.24Å; F97-W187 WeakPolarHBondContact O-CB 3.03Å; F97-W187 VanDerWaalsContact O-CD1 3.3Å; F97-W187 PolarHBondContact O-N 3.32Å; F97-W187 VanDerWaalsContact O-N 3.09Å; F97-L190 HydrophobicContact CD2-CD1 4.08Å; F97-L190 HydrophobicContact CE2-CD1 3.89Å |
| 98 | I | 87.5 | Confident | 83.8 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -132.6 | 133.8 | 174.4 | -63.5 | 169.6 | 0 | 0 | 0 | 108 | G101 A102 V135 E185 W187 | I98-G101 VanDerWaalsContact CG2-C 3.45Å; I98-A102 HydrophobicContact CD1-CB 4.33Å; I98-A102 HydrophobicContact CG1-CB 4.47Å; I98-A102 HydrophobicContact CG2-CB 4.03Å; I98-A102 VanDerWaalsContact CG2-N 3.33Å; I98-V135 HydrophobicContact CD1-CG1 4.32Å; I98-E185 VanDerWaalsContact CA-OE1 3.26Å; I98-E185 WeakPolarHBondContact CA-OE1 3.11Å; I98-W187 HydrophobicContact CG1-CB 3.83Å; I98-W187 HydrophobicContact CG1-CG 3.75Å |
| 99 | V | 75.7 | Confident | 83.3 | Confident | 33 Ų | 33 | 61.9 Ų | 61.9 | 20% | 0.2 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -114.2 | 122.9 | 178.9 | -171.7 | 0 | 0 | 0 | 0 | 109.4 | E96 G101 E185 | E96-V99 HydrophobicContact CB-CG2 3.59Å; E96-V99 HydrophobicContact CG-CG2 4.28Å; E96-V99 WeakPolarHBondContact OE2-CG2 3.39Å; V99-G101 PolarHBondContact O-N 2.87Å; V99-G101 VanDerWaalsContact O-O 3.05Å; V99-E185 HydrophobicContact CG2-CB 4.02Å; V99-E185 HydrophobicContact CG2-CG 4.23Å; V99-E185 PolarHBondContact N-OE1 3.29Å |
| 100 | D | 67.6 | Low | 83 | Confident | 169 Ų | 169 | 60.2 Ų | 60.2 | 90% | 0.904 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 53.2 | 27 | 177.1 | -66.5 | -31.7 | 0 | 0 | 0 | 115.8 | ||
| 101 | G | 74.4 | Confident | 82.4 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 39% | 0.392 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 93.8 | 146.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I98 V99 T103 | I98-G101 VanDerWaalsContact CG2-C 3.45Å; V99-G101 PolarHBondContact O-N 2.87Å; V99-G101 VanDerWaalsContact O-O 3.05Å; G101-T103 WeakPolarHBondContact O-CG2 3.49Å; G101-T103 PolarHBondContact O-N 3Å |
| 102 | A | 77.9 | Confident | 82.2 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | trans | -78 | 112.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | I98 D106 T125 L131 W187 | I98-A102 HydrophobicContact CD1-CB 4.33Å; I98-A102 HydrophobicContact CG1-CB 4.47Å; I98-A102 HydrophobicContact CG2-CB 4.03Å; I98-A102 VanDerWaalsContact CG2-N 3.33Å; A102-D106 WeakPolarHBondContact CA-OD2 3.34Å; A102-T125 WeakPolarHBondContact O-CB 3.03Å; A102-L131 HydrophobicContact CB-CD2 3.38Å; A102-W187 HydrophobicContact CB-CD2 4.29Å; A102-W187 HydrophobicContact CB-CH2 4.31Å; A102-W187 HydrophobicContact CB-CZ2 3.67Å | ||
| 103 | T | 80.5 | Confident | 81.8 | Confident | 50 Ų | 50 | 56.2 Ų | 56.2 | 31% | 0.307 | 29% | 0.294 | S | S | . | . | trans | -113.7 | 161.4 | -175.9 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | G101 T105 D106 | G101-T103 WeakPolarHBondContact O-CG2 3.49Å; G101-T103 PolarHBondContact O-N 3Å; T103-T105 PolarHBondContact O-N 3.5Å; T103-T105 VanDerWaalsContact O-N 3.15Å; T103-T105 PolarHBondContact OG1-N 3.45Å; T103-T105 PolarHBondContact OG1-OG1 3.22Å; T103-D106 PolarHBondContact N-OD2 2.73Å; T103-D106 WeakPolarHBondContact O-CB 3.36Å; T103-D106 PolarHBondContact O-N 3Å; T103-D106 VanDerWaalsContact O-N 3.1Å; T103-D106 VanDerWaalsContact O-OD2 3.13Å; T103-D106 PolarHBondContact OG1-OD1 2.88Å | ||
| 104 | R | 75.5 | Confident | 81.8 | Confident | 57 Ų | 57 | 44.2 Ų | 44.2 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -58.5 | -26.9 | 176.6 | 61.2 | -161.5 | -178.8 | -77.6 | -3.8 | 113.2 | D106 I107 A122 T125 R295 E333 | R104-D106 PolarHBondContact O-N 2.96Å; R104-I107 PolarHBondContact O-N 2.93Å; R104-A122 HydrophobicContact CB-CB 4.22Å; R104-T125 WeakPolarHBondContact CA-OG1 3.26Å; R104-T125 WeakPolarHBondContact CB-OG1 3.39Å; R104-T125 PolarHBondContact N-OG1 3.45Å; R104-T125 VanDerWaalsContact N-OG1 3.11Å; R104-R295 PolarHBondContact O-NH1 2.97Å; R104-R295 PolarHBondContact O-NH2 3.03Å; R104-E333 IonicContact CZ-OE1 3.47Å; R104-E333 IonicContact CZ-OE2 3.32Å; R104-E333 IonicContact NE-OE1 2.84Å; R104-E333 PolarHBondContact NE-OE1 3.49Å; R104-E333 IonicContact NE-OE2 2.74Å; R104-E333 IonicContact NH2-OE1 2.98Å; R104-E333 PolarHBondContact NH2-OE1 3.44Å; R104-E333 IonicContact NH2-OE2 3.81Å; R104-E333 PolarHBondContact NH2-OE2 2.95Å |
| 105 | T | 75.1 | Confident | 81.7 | Confident | 49 Ų | 49 | 35.5 Ų | 35.5 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -70.9 | -10.2 | 179.3 | 44.7 | 0 | 0 | 0 | 0 | 113.9 | T103 I107 D331 | T103-T105 PolarHBondContact O-N 3.5Å; T103-T105 VanDerWaalsContact O-N 3.15Å; T103-T105 PolarHBondContact OG1-N 3.45Å; T103-T105 PolarHBondContact OG1-OG1 3.22Å; T105-I107 PolarHBondContact O-N 2.9Å; T105-D331 HydrophobicContact CG2-CB 4.2Å |
| 106 | D | 79.3 | Confident | 81.6 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -81.1 | 5.2 | 178.4 | -41.3 | -12.2 | 0 | 0 | 0 | 112.1 | A102 T103 R104 H179 S180 E185 W187 S188 | A102-D106 WeakPolarHBondContact CA-OD2 3.34Å; T103-D106 PolarHBondContact N-OD2 2.73Å; T103-D106 WeakPolarHBondContact O-CB 3.36Å; T103-D106 PolarHBondContact O-N 3Å; T103-D106 VanDerWaalsContact O-N 3.1Å; T103-D106 VanDerWaalsContact O-OD2 3.13Å; T103-D106 PolarHBondContact OG1-OD1 2.88Å; R104-D106 PolarHBondContact O-N 2.96Å; D106-H179 CarbonylContact O-C 3.52Å; D106-S180 VanDerWaalsContact O-CA 3.29Å; D106-S180 WeakPolarHBondContact O-CA 3.46Å; D106-S180 PolarHBondContact O-N 2.96Å; D106-E185 VanDerWaalsContact CB-OE2 3.3Å; D106-E185 WeakPolarHBondContact CB-OE2 3.1Å; D106-W187 HydrophobicContact CB-CZ2 4.11Å; D106-W187 PolarHBondContact OD2-NE1 2.99Å; D106-S188 PolarHBondContact O-OG 3.2Å |
| 107 | I | 83 | Confident | 81.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -127.5 | 98.6 | -170.3 | -53.3 | 160.7 | 0 | 0 | 0 | 108 | R104 T105 L118 I121 A122 T125 V178 W187 R295 | R104-I107 PolarHBondContact O-N 2.93Å; T105-I107 PolarHBondContact O-N 2.9Å; I107-L118 HydrophobicContact CG2-CB 3.75Å; I107-L118 HydrophobicContact CG2-CD2 3.98Å; I107-L118 HydrophobicContact CG2-CG 3.88Å; I107-I121 HydrophobicContact CD1-CB 3.95Å; I107-I121 HydrophobicContact CD1-CG2 3.49Å; I107-I121 VanDerWaalsContact CD1-CG2 3.49Å; I107-I121 HydrophobicContact CG1-CG2 4.13Å; I107-A122 HydrophobicContact CD1-CB 3.86Å; I107-T125 HydrophobicContact CD1-CG2 4.13Å; I107-V178 HydrophobicContact CG2-CG2 3.98Å; I107-W187 HydrophobicContact CD1-CH2 4.25Å; I107-W187 HydrophobicContact CG1-CH2 4.46Å; I107-W187 HydrophobicContact CG1-CZ2 4.47Å; I107-R295 PolarHBondContact O-NH2 3.16Å | ||
| 108 | C | 82.1 | Confident | 81.6 | Confident | 16 Ų | 16 | 31.1 Ų | 31.1 | 11% | 0.108 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -121.1 | 127.8 | 170.8 | -66.8 | 0 | 0 | 0 | 0 | 109.3 | V178 H179 | C108-V178 WeakPolarHBondContact O-CA 3.45Å; C108-H179 WeakPolarHBondContact CB-O 3.17Å; C108-H179 PolarHBondContact N-O 3.15Å; C108-H179 PolarHBondContact O-N 3.39Å |
| 109 | Q | 84.9 | Confident | 81.6 | Confident | 24 Ų | 24 | 28.6 Ų | 28.6 | 11% | 0.112 | 18% | 0.183 | C | C | . | . | trans | -64.1 | 136.2 | -179.2 | -164.4 | 174.7 | -25.9 | 0 | 0 | 112.1 | L112 L118 H272 P297 | Q109-L112 PolarHBondContact NE2-O 2.94Å; Q109-L118 HydrophobicContact CB-CD2 3.57Å; Q109-L118 HydrophobicContact CG-CD2 3.87Å; Q109-H272 PolarHBondContact OE1-CE1 3.25Å; Q109-P297 PolarHBondContact N-O 2.62Å | ||
| 110 | G | 84.4 | Confident | 82.4 | Confident | 26 Ų | 26 | 27 Ų | 27 | 27% | 0.268 | 17% | 0.173 | S | C | . | . | trans | -88.5 | -145.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L112 F177 | G110-L112 VanDerWaalsContact C-N 3.32Å; G110-L112 PolarHBondContact O-N 2.7Å; G110-F177 WeakPolarHBondContact CA-O 3.46Å | ||
| 111 | S | 79.3 | Confident | 83.4 | Confident | 77 Ų | 77 | 19 Ų | 19 | 54% | 0.538 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -86.6 | 6.1 | -175.4 | 60.6 | 0 | 0 | 0 | 0 | 115.3 | L176 | S111-L176 PolarHBondContact N-O 3.44Å; S111-L176 WeakPolarHBondContact OG-CD1 3.39Å; S111-L176 WeakPolarHBondContact OG-CG 3.47Å; S111-L176 PolarHBondContact OG-O 2.95Å |
| 112 | L | 83.9 | Confident | 84 | Confident | 7 Ų | 7 | 17.2 Ų | 17.2 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -100.4 | 142.3 | -179.4 | -176.6 | 60.1 | 0 | 0 | 0 | 110.6 | L73 Q109 G110 D114 F177 Y202 L205 | L73-L112 HydrophobicContact CD1-CD1 3.82Å; Q109-L112 PolarHBondContact NE2-O 2.94Å; G110-L112 VanDerWaalsContact C-N 3.32Å; G110-L112 PolarHBondContact O-N 2.7Å; L112-D114 HydrophobicContact CD2-CB 4.15Å; L112-D114 WeakPolarHBondContact CD2-OD2 3.47Å; L112-D114 HydrophobicContact CG-CB 4.01Å; L112-D114 PolarHBondContact O-N 3.18Å; L112-F177 HydrophobicContact CB-CD1 3.61Å; L112-F177 HydrophobicContact CB-CE1 3.82Å; L112-F177 HydrophobicContact CD2-CD1 4.11Å; L112-F177 HydrophobicContact CD2-CE1 4.12Å; L112-F177 HydrophobicContact CG-CD1 4.47Å; L112-F177 HydrophobicContact CG-CE1 4.43Å; L112-Y202 HydrophobicContact CD2-CD1 4.27Å; L112-L205 HydrophobicContact CD2-CB 4.31Å |
| 113 | G | 81 | Confident | 84.5 | Confident | 25 Ų | 25 | 16.8 Ų | 16.8 | 26% | 0.258 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -82.2 | 49.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G207 | G113-G207 PolarHBondContact O-N 2.8Š|
| 114 | D | 85 | Confident | 84.8 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -110.5 | 26.7 | -177.8 | 64.5 | -20.7 | 0 | 0 | 0 | 112.8 | L112 W116 L117 L118 L205 | L112-D114 HydrophobicContact CD2-CB 4.15Å; L112-D114 WeakPolarHBondContact CD2-OD2 3.47Å; L112-D114 HydrophobicContact CG-CB 4.01Å; L112-D114 PolarHBondContact O-N 3.18Å; D114-W116 PolarHBondContact O-N 3.18Å; D114-L117 HydrophobicContact CB-CB 4.47Å; D114-L117 WeakPolarHBondContact O-CA 3.42Å; D114-L117 WeakPolarHBondContact O-CB 3.43Å; D114-L117 PolarHBondContact O-N 2.73Å; D114-L118 HydrophobicContact CB-CD1 4.33Å; D114-L118 VanDerWaalsContact CG-CD1 3.45Å; D114-L118 WeakPolarHBondContact O-CD1 3.26Å; D114-L118 PolarHBondContact O-N 3.07Å; D114-L118 WeakPolarHBondContact OD1-CD1 3.11Å; D114-L205 HydrophobicContact CB-CB 4.09Å | ||
| 115 | C | 86.2 | Confident | 85.4 | Confident | 11 Ų | 11 | 12.3 Ų | 12.3 | 7% | 0.074 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -45.5 | -35.2 | 176.9 | 58.6 | 0 | 0 | 0 | 0 | 114.9 | L117 L118 A119 H272 P297 | C115-L117 VanDerWaalsContact C-N 3.31Å; C115-L117 PolarHBondContact O-N 2.95Å; C115-L118 PolarHBondContact O-N 2.77Å; C115-A119 WeakPolarHBondContact O-CB 3.07Å; C115-A119 PolarHBondContact O-N 2.63Å; C115-H272 WeakPolarHBondContact CB-CE1 3.36Å; C115-H272 WeakPolarHBondContact CB-ND1 3.33Å; C115-H272 PolarHBondContact SG-ND1 2.92Å; C115-H272 VanDerWaalsContact SG-ND1 3.42Å; C115-P297 HydrophobicContact CB-CG 4.45Å |
| 116 | W | 90.2 | Very high | 85.7 | Confident | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.008 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.2 | -39.6 | 175.7 | 69 | -88.6 | 0 | 0 | 0 | 112.7 | D114 A120 Y195 L205 G208 E212 A273 | D114-W116 PolarHBondContact O-N 3.18Å; W116-A120 PolarHBondContact O-N 3.43Å; W116-Y195 AromaticContact CH2-CE1 3.69Å; W116-Y195 HydrophobicContact CH2-CE1 3.69Å; W116-Y195 HydrophobicContact CZ2-CE1 4.34Å; W116-L205 PolarHBondContact NE1-O 3.38Å; W116-G208 WeakPolarHBondContact CB-O 3.28Å; W116-G208 VanDerWaalsContact CD1-N 3.32Å; W116-E212 HydrophobicContact CE3-CB 4.23Å; W116-E212 HydrophobicContact CH2-CB 4.24Å; W116-E212 HydrophobicContact CZ3-CB 3.65Å; W116-A273 HydrophobicContact CB-CB 4.26Å |
| 117 | L | 90.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71.5 | -43.8 | 177.5 | -178.2 | 65.6 | 0 | 0 | 0 | 109.8 | D114 C115 A119 A120 I121 E192 Y195 L205 F217 | D114-L117 HydrophobicContact CB-CB 4.47Å; D114-L117 WeakPolarHBondContact O-CA 3.42Å; D114-L117 WeakPolarHBondContact O-CB 3.43Å; D114-L117 PolarHBondContact O-N 2.73Å; C115-L117 VanDerWaalsContact C-N 3.31Å; C115-L117 PolarHBondContact O-N 2.95Å; L117-A119 PolarHBondContact O-N 3.45Å; L117-A120 CarbonylContact O-C 3.59Å; L117-A120 WeakPolarHBondContact O-CA 3.35Å; L117-A120 WeakPolarHBondContact O-CB 3.37Å; L117-A120 PolarHBondContact O-N 2.63Å; L117-I121 HydrophobicContact CG-CD1 4.05Å; L117-I121 HydrophobicContact CG-CG1 4.49Å; L117-I121 VanDerWaalsContact O-CG1 3.32Å; L117-I121 WeakPolarHBondContact O-CG1 3.46Å; L117-I121 PolarHBondContact O-N 3.01Å; L117-E192 HydrophobicContact CD2-CG 4.38Å; L117-Y195 HydrophobicContact CD1-CD1 3.76Å; L117-Y195 HydrophobicContact CD1-CE1 3.75Å; L117-Y195 HydrophobicContact CD1-CG 4.26Å; L117-Y195 HydrophobicContact CD2-CD1 3.57Å; L117-Y195 HydrophobicContact CD2-CE1 4.17Å; L117-Y195 HydrophobicContact CD2-CG 4.28Å; L117-Y195 HydrophobicContact CG-CD1 4.33Å; L117-L205 HydrophobicContact CD2-CD1 4Å; L117-F217 HydrophobicContact CD1-CE1 4.37Å; L117-F217 HydrophobicContact CD1-CE2 4.2Å; L117-F217 HydrophobicContact CD1-CZ 3.54Å |
| 118 | L | 89.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.5 | -39.3 | -179.1 | -76.8 | 76.3 | 0 | 0 | 0 | 112 | I107 Q109 D114 C115 A120 I121 A122 V178 P297 | I107-L118 HydrophobicContact CG2-CB 3.75Å; I107-L118 HydrophobicContact CG2-CD2 3.98Å; I107-L118 HydrophobicContact CG2-CG 3.88Å; Q109-L118 HydrophobicContact CB-CD2 3.57Å; Q109-L118 HydrophobicContact CG-CD2 3.87Å; D114-L118 HydrophobicContact CB-CD1 4.33Å; D114-L118 VanDerWaalsContact CG-CD1 3.45Å; D114-L118 WeakPolarHBondContact O-CD1 3.26Å; D114-L118 PolarHBondContact O-N 3.07Å; D114-L118 WeakPolarHBondContact OD1-CD1 3.11Å; C115-L118 PolarHBondContact O-N 2.77Å; L118-A120 VanDerWaalsContact C-N 3.25Å; L118-A120 PolarHBondContact O-N 3.28Å; L118-I121 PolarHBondContact O-N 3.38Å; L118-A122 VanDerWaalsContact O-CB 3.3Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.37Å; L118-V178 HydrophobicContact CD2-CB 4.18Å; L118-V178 HydrophobicContact CD2-CG2 3.75Å; L118-V178 HydrophobicContact CG-CG2 4.11Å; L118-P297 HydrophobicContact CB-CB 3.77Å |
| 119 | A | 88.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.8 | -37.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | C115 L117 A122 S123 T210 A273 S275 P297 | C115-A119 WeakPolarHBondContact O-CB 3.07Å; C115-A119 PolarHBondContact O-N 2.63Å; L117-A119 PolarHBondContact O-N 3.45Å; A119-A122 PolarHBondContact O-N 2.78Å; A119-S123 PolarHBondContact O-N 2.91Å; A119-S123 PolarHBondContact O-OG 3.38Å; A119-T210 HydrophobicContact CB-CG2 3.98Å; A119-A273 HydrophobicContact CB-CB 3.75Å; A119-S275 WeakPolarHBondContact CA-OG 3.32Å; A119-S275 PolarHBondContact O-OG 3.27Å; A119-P297 HydrophobicContact CB-CG 4.28Å |
| 120 | A | 91.3 | Very high | 86 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.6 | -45.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W116 L117 L118 A122 S123 L124 T210 F214 F217 | W116-A120 PolarHBondContact O-N 3.43Å; L117-A120 CarbonylContact O-C 3.59Å; L117-A120 WeakPolarHBondContact O-CA 3.35Å; L117-A120 WeakPolarHBondContact O-CB 3.37Å; L117-A120 PolarHBondContact O-N 2.63Å; L118-A120 VanDerWaalsContact C-N 3.25Å; L118-A120 PolarHBondContact O-N 3.28Å; A120-A122 VanDerWaalsContact C-N 3.3Å; A120-A122 PolarHBondContact O-N 3.48Å; A120-S123 PolarHBondContact O-N 3.5Å; A120-L124 PolarHBondContact O-N 3.34Å; A120-T210 HydrophobicContact CB-CG2 4.05Å; A120-F214 HydrophobicContact CB-CD1 3.78Å; A120-F214 HydrophobicContact CB-CE1 3.96Å; A120-F217 HydrophobicContact CB-CD2 4.06Å; A120-F217 HydrophobicContact CB-CE2 3.69Å |
| 121 | I | 90.3 | Very high | 86.2 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 176.4 | -59.6 | 166.6 | 0 | 0 | 0 | 109.6 | I107 L117 L118 S123 L124 T125 W187 L191 F217 | I107-I121 HydrophobicContact CD1-CB 3.95Å; I107-I121 HydrophobicContact CD1-CG2 3.49Å; I107-I121 VanDerWaalsContact CD1-CG2 3.49Å; I107-I121 HydrophobicContact CG1-CG2 4.13Å; L117-I121 HydrophobicContact CG-CD1 4.05Å; L117-I121 HydrophobicContact CG-CG1 4.49Å; L117-I121 VanDerWaalsContact O-CG1 3.32Å; L117-I121 WeakPolarHBondContact O-CG1 3.46Å; L117-I121 PolarHBondContact O-N 3.01Å; L118-I121 PolarHBondContact O-N 3.38Å; I121-S123 PolarHBondContact O-N 3.04Å; I121-L124 VanDerWaalsContact O-CB 3.29Å; I121-L124 WeakPolarHBondContact O-CB 3.11Å; I121-L124 PolarHBondContact O-N 3.25Å; I121-L124 VanDerWaalsContact O-N 3.09Å; I121-T125 WeakPolarHBondContact O-CG2 3.3Å; I121-T125 PolarHBondContact O-N 3.35Å; I121-W187 HydrophobicContact CG2-CH2 3.57Å; I121-W187 HydrophobicContact CG2-CZ3 3.68Å; I121-L191 HydrophobicContact CD1-CD2 3.96Å; I121-L191 HydrophobicContact CG1-CD2 3.92Å; I121-L191 HydrophobicContact CG2-CD2 3.87Å; I121-F217 HydrophobicContact CB-CE2 4.36Å; I121-F217 HydrophobicContact CD1-CZ 4.37Å; I121-F217 HydrophobicContact CG1-CE2 3.54Å; I121-F217 HydrophobicContact CG1-CZ 3.54Å |
| 122 | A | 87.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R104 I107 L118 A119 A120 L124 T125 R295 | R104-A122 HydrophobicContact CB-CB 4.22Å; I107-A122 HydrophobicContact CD1-CB 3.86Å; L118-A122 VanDerWaalsContact O-CB 3.3Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.37Å; A119-A122 PolarHBondContact O-N 2.78Å; A120-A122 VanDerWaalsContact C-N 3.3Å; A120-A122 PolarHBondContact O-N 3.48Å; A122-L124 VanDerWaalsContact C-N 3.32Å; A122-T125 PolarHBondContact O-N 2.88Å; A122-T125 PolarHBondContact O-OG1 3.01Å; A122-R295 VanDerWaalsContact CB-NH1 3.34Å |
| 123 | S | 87.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67 | -34.3 | 173.3 | -59.6 | 0 | 0 | 0 | 0 | 112 | A119 A120 I121 T125 L126 L247 L248 S275 | A119-S123 PolarHBondContact O-N 2.91Å; A119-S123 PolarHBondContact O-OG 3.38Å; A120-S123 PolarHBondContact O-N 3.5Å; I121-S123 PolarHBondContact O-N 3.04Å; S123-T125 VanDerWaalsContact C-N 3.28Å; S123-T125 PolarHBondContact O-N 3.1Å; S123-L126 VanDerWaalsContact O-CB 3.29Å; S123-L126 WeakPolarHBondContact O-CB 3.43Å; S123-L126 WeakPolarHBondContact O-CG 3.45Å; S123-L126 PolarHBondContact O-N 3.01Å; S123-L126 VanDerWaalsContact O-N 3.09Å; S123-L247 WeakPolarHBondContact O-CD2 3.18Å; S123-L248 PolarHBondContact OG-O 3.36Å; S123-S275 WeakPolarHBondContact OG-CB 3.5Å; S123-S275 PolarHBondContact OG-OG 3.38Å |
| 124 | L | 87.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 177.5 | -175.5 | 65.8 | 0 | 0 | 0 | 112.1 | A120 I121 A122 L126 N127 L130 L131 V134 F217 | A120-L124 PolarHBondContact O-N 3.34Å; I121-L124 VanDerWaalsContact O-CB 3.29Å; I121-L124 WeakPolarHBondContact O-CB 3.11Å; I121-L124 PolarHBondContact O-N 3.25Å; I121-L124 VanDerWaalsContact O-N 3.09Å; A122-L124 VanDerWaalsContact C-N 3.32Å; L124-L126 PolarHBondContact O-N 2.86Å; L124-L126 VanDerWaalsContact O-N 3.11Å; L124-N127 PolarHBondContact O-N 3.49Å; L124-L130 HydrophobicContact CD1-CB 3.57Å; L124-L131 HydrophobicContact CD2-CD1 3.84Å; L124-L131 HydrophobicContact CG-CB 4.22Å; L124-L131 HydrophobicContact CG-CD1 3.98Å; L124-V134 HydrophobicContact CD2-CB 4.05Å; L124-V134 HydrophobicContact CD2-CG1 4.29Å; L124-V134 HydrophobicContact CD2-CG2 3.98Å; L124-F217 HydrophobicContact CD1-CB 4.19Å; L124-F217 HydrophobicContact CD2-CB 4.15Å; L124-F217 HydrophobicContact CD2-CD2 4.14Å; L124-F217 HydrophobicContact CD2-CG 4.08Å |
| 125 | T | 86.9 | Confident | 87.8 | Confident | 12 Ų | 12 | 20 Ų | 20 | 7% | 0.074 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12 | 176.5 | 68 | 0 | 0 | 0 | 0 | 114.4 | A102 R104 I107 I121 A122 S123 N127 W187 | A102-T125 WeakPolarHBondContact O-CB 3.03Å; R104-T125 WeakPolarHBondContact CA-OG1 3.26Å; R104-T125 WeakPolarHBondContact CB-OG1 3.39Å; R104-T125 PolarHBondContact N-OG1 3.45Å; R104-T125 VanDerWaalsContact N-OG1 3.11Å; I107-T125 HydrophobicContact CD1-CG2 4.13Å; I121-T125 WeakPolarHBondContact O-CG2 3.3Å; I121-T125 PolarHBondContact O-N 3.35Å; A122-T125 PolarHBondContact O-N 2.88Å; A122-T125 PolarHBondContact O-OG1 3.01Å; S123-T125 VanDerWaalsContact C-N 3.28Å; S123-T125 PolarHBondContact O-N 3.1Å; T125-N127 PolarHBondContact O-N 3.37Å; T125-W187 HydrophobicContact CG2-CH2 3.64Å; T125-W187 HydrophobicContact CG2-CZ2 3.89Å |
| 126 | L | 82.1 | Confident | 88 | Confident | 73 Ų | 73 | 20.4 Ų | 20.4 | 38% | 0.382 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -12.3 | 174.7 | -57.4 | 174.5 | 0 | 0 | 0 | 112.4 | S123 L124 T277 | S123-L126 VanDerWaalsContact O-CB 3.29Å; S123-L126 WeakPolarHBondContact O-CB 3.43Å; S123-L126 WeakPolarHBondContact O-CG 3.45Å; S123-L126 PolarHBondContact O-N 3.01Å; S123-L126 VanDerWaalsContact O-N 3.09Å; L124-L126 PolarHBondContact O-N 2.86Å; L124-L126 VanDerWaalsContact O-N 3.11Å; L126-T277 HydrophobicContact CD1-CG2 4.16Å |
| 127 | N | 82.8 | Confident | 87.8 | Confident | 27 Ų | 27 | 26.7 Ų | 26.7 | 14% | 0.144 | 14% | 0.135 | C | C | . | . | trans | -135.3 | 94.7 | -178.3 | -171 | -25.3 | 0 | 0 | 0 | 111 | L124 T125 N129 L130 L131 G245 | L124-N127 PolarHBondContact O-N 3.49Å; T125-N127 PolarHBondContact O-N 3.37Å; N127-N129 PolarHBondContact O-N 2.82Å; N127-N129 VanDerWaalsContact O-N 3.16Å; N127-N129 PolarHBondContact OD1-N 2.94Å; N127-L130 HydrophobicContact CB-CB 4.32Å; N127-L130 HydrophobicContact CB-CD1 3.99Å; N127-L130 HydrophobicContact CB-CG 4.22Å; N127-L130 WeakPolarHBondContact ND2-CD1 3.32Å; N127-L130 PolarHBondContact O-N 3.48Å; N127-L130 PolarHBondContact OD1-N 3.43Å; N127-L131 PolarHBondContact O-N 3.49Å; N127-G245 PolarHBondContact ND2-O 2.96Å | ||
| 128 | D | 83.1 | Confident | 87.6 | Confident | 98 Ų | 98 | 29.9 Ų | 29.9 | 52% | 0.524 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -53.3 | -37.8 | -178.2 | -63.8 | -15.7 | 0 | 0 | 0 | 113.1 | L130 L131 H132 | D128-L130 VanDerWaalsContact C-N 3.32Å; D128-L130 PolarHBondContact O-N 2.79Å; D128-L131 PolarHBondContact O-N 2.95Å; D128-H132 WeakPolarHBondContact O-CB 3.4Å; D128-H132 PolarHBondContact O-CD2 3.16Å; D128-H132 PolarHBondContact O-N 2.79Å |
| 129 | N | 83.5 | Confident | 87.7 | Confident | 108 Ų | 108 | 30.6 Ų | 30.6 | 58% | 0.578 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -66.7 | -33 | -179.3 | -70.6 | -30.8 | 0 | 0 | 0 | 112.8 | N127 R133 | N127-N129 PolarHBondContact O-N 2.82Å; N127-N129 VanDerWaalsContact O-N 3.16Å; N127-N129 PolarHBondContact OD1-N 2.94Å; N129-R133 WeakPolarHBondContact O-CG 3.43Å; N129-R133 PolarHBondContact O-NE 3.5Å |
| 130 | L | 85 | Confident | 88 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -79.4 | -40.8 | 175.2 | -65.4 | 176.9 | 0 | 0 | 0 | 110.7 | L124 N127 D128 H132 R133 V134 T218 L247 L353 A357 | L124-L130 HydrophobicContact CD1-CB 3.57Å; N127-L130 HydrophobicContact CB-CB 4.32Å; N127-L130 HydrophobicContact CB-CD1 3.99Å; N127-L130 HydrophobicContact CB-CG 4.22Å; N127-L130 WeakPolarHBondContact ND2-CD1 3.32Å; N127-L130 PolarHBondContact O-N 3.48Å; N127-L130 PolarHBondContact OD1-N 3.43Å; D128-L130 VanDerWaalsContact C-N 3.32Å; D128-L130 PolarHBondContact O-N 2.79Å; L130-H132 VanDerWaalsContact C-N 3.28Å; L130-H132 PolarHBondContact O-N 3.28Å; L130-R133 WeakPolarHBondContact O-CB 3.37Å; L130-R133 PolarHBondContact O-N 3.16Å; L130-R133 VanDerWaalsContact O-N 3.11Å; L130-V134 PolarHBondContact O-N 3.42Å; L130-T218 HydrophobicContact CD1-CG2 4.05Å; L130-L247 HydrophobicContact CD1-CD2 4.35Å; L130-L353 HydrophobicContact CD1-CD1 3.77Å; L130-L353 HydrophobicContact CD1-CD2 3.51Å; L130-L353 HydrophobicContact CD1-CG 4.28Å; L130-L353 HydrophobicContact CD2-CD1 4.4Å; L130-L353 HydrophobicContact CD2-CD2 4.06Å; L130-L353 HydrophobicContact CG-CD1 4.49Å; L130-L353 HydrophobicContact CG-CD2 4.44Å; L130-A357 HydrophobicContact CD2-CB 3.84Å |
| 131 | L | 88.8 | Confident | 88 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.3 | -46.7 | 176.3 | 179.4 | 72.7 | 0 | 0 | 0 | 110.9 | A102 L124 N127 D128 R133 V134 V135 W187 | A102-L131 HydrophobicContact CB-CD2 3.38Å; L124-L131 HydrophobicContact CD2-CD1 3.84Å; L124-L131 HydrophobicContact CG-CB 4.22Å; L124-L131 HydrophobicContact CG-CD1 3.98Å; N127-L131 PolarHBondContact O-N 3.49Å; D128-L131 PolarHBondContact O-N 2.95Å; L131-R133 PolarHBondContact O-N 3.04Å; L131-V134 PolarHBondContact O-N 3.3Å; L131-V135 HydrophobicContact CD1-CB 4.49Å; L131-V135 HydrophobicContact CD1-CG2 3.92Å; L131-V135 HydrophobicContact CG-CG2 4.49Å; L131-V135 PolarHBondContact O-N 3.46Å; L131-W187 HydrophobicContact CD1-CH2 4.26Å; L131-W187 HydrophobicContact CD1-CZ3 4.02Å |
| 132 | H | 88 | Confident | 87.9 | Confident | 59 Ų | 59 | 38.3 Ų | 38.3 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.4 | -14 | -178.2 | -68.5 | -45.2 | 0 | 0 | 0 | 114.9 | D128 L130 V135 H137 | D128-H132 WeakPolarHBondContact O-CB 3.4Å; D128-H132 PolarHBondContact O-CD2 3.16Å; D128-H132 PolarHBondContact O-N 2.79Å; L130-H132 VanDerWaalsContact C-N 3.28Å; L130-H132 PolarHBondContact O-N 3.28Å; H132-V135 WeakPolarHBondContact CA-O 3.24Å; H132-H137 AromaticContact CD2-CE1 3.31Å; H132-H137 PolarHBondContact CD2-CE1 3.48Å; H132-H137 AromaticContact CD2-NE2 3.33Å; H132-H137 PolarHBondContact CD2-NE2 2.94Å; H132-H137 VanDerWaalsContact CD2-NE2 3.33Å; H132-H137 AromaticContact CE1-CE1 3.08Å; H132-H137 PolarHBondContact CE1-CE1 3.5Å; H132-H137 AromaticContact CE1-ND1 3.62Å; H132-H137 AromaticContact CE1-NE2 3.8Å; H132-H137 AromaticContact CG-CD2 3.94Å; H132-H137 AromaticContact CG-CE1 3.29Å; H132-H137 AromaticContact CG-NE2 3.15Å; H132-H137 AromaticContact ND1-CE1 3.13Å; H132-H137 PolarHBondContact ND1-CE1 2.94Å; H132-H137 AromaticContact ND1-ND1 3.57Å; H132-H137 AromaticContact ND1-NE2 3.46Å; H132-H137 PolarHBondContact ND1-NE2 3.37Å; H132-H137 AromaticContact NE2-CE1 3.17Å; H132-H137 PolarHBondContact NE2-CE1 3.35Å; H132-H137 AromaticContact NE2-NE2 3.73Å |
| 133 | R | 88.2 | Confident | 87.9 | Confident | 27 Ų | 27 | 46 Ų | 46 | 10% | 0.102 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.9 | -42.7 | 168.5 | -64.9 | 168.8 | -171.8 | -132.3 | -1.6 | 111 | N129 L130 L131 Q152 W159 D356 A357 | N129-R133 WeakPolarHBondContact O-CG 3.43Å; N129-R133 PolarHBondContact O-NE 3.5Å; L130-R133 WeakPolarHBondContact O-CB 3.37Å; L130-R133 PolarHBondContact O-N 3.16Å; L130-R133 VanDerWaalsContact O-N 3.11Å; L131-R133 PolarHBondContact O-N 3.04Å; R133-Q152 WeakPolarHBondContact O-CB 3.38Å; R133-Q152 PolarHBondContact O-OE1 2.87Å; R133-W159 HydrophobicContact CB-CH2 4.36Å; R133-D356 VanDerWaalsContact NH1-C 3.34Å; R133-D356 PolarHBondContact NH1-O 3.02Å; R133-D356 PolarHBondContact NH2-O 3.2Å; R133-A357 VanDerWaalsContact NH1-CA 3.29Å; R133-A357 PolarHBondContact NH2-O 2.88Å |
| 134 | V | 93.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -79 | -37.6 | -179.3 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | L124 L130 L131 P136 F151 Q152 F153 L191 F217 | L124-V134 HydrophobicContact CD2-CB 4.05Å; L124-V134 HydrophobicContact CD2-CG1 4.29Å; L124-V134 HydrophobicContact CD2-CG2 3.98Å; L130-V134 PolarHBondContact O-N 3.42Å; L131-V134 PolarHBondContact O-N 3.3Å; V134-P136 WeakPolarHBondContact O-CD 3.4Å; V134-F151 VanDerWaalsContact O-CA 3.3Å; V134-F151 WeakPolarHBondContact O-CA 3.32Å; V134-F151 WeakPolarHBondContact O-CB 3.3Å; V134-Q152 WeakPolarHBondContact CA-O 3.33Å; V134-Q152 WeakPolarHBondContact CG1-O 3.34Å; V134-Q152 PolarHBondContact O-N 2.92Å; V134-F153 HydrophobicContact CG1-CD1 4.32Å; V134-F153 HydrophobicContact CG1-CE1 4.09Å; V134-L191 HydrophobicContact CG1-CD1 3.6Å; V134-F217 HydrophobicContact CG1-CD1 4.05Å; V134-F217 HydrophobicContact CG1-CE1 4.49Å; V134-F217 HydrophobicContact CG2-CB 3.9Å; V134-F217 HydrophobicContact CG2-CD1 4.24Å; V134-F217 HydrophobicContact CG2-CG 4.37Å; V134-F217 WeakPolarHBondContact CG2-O 3.47Å |
| 135 | V | 93.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -117.6 | 87.7 | -177.3 | -172.6 | 0 | 0 | 0 | 0 | 109 | F97 I98 L131 H132 F151 W187 L191 | F97-V135 HydrophobicContact CE1-CG1 3.64Å; F97-V135 HydrophobicContact CZ-CG1 3.79Å; I98-V135 HydrophobicContact CD1-CG1 4.32Å; L131-V135 HydrophobicContact CD1-CB 4.49Å; L131-V135 HydrophobicContact CD1-CG2 3.92Å; L131-V135 HydrophobicContact CG-CG2 4.49Å; L131-V135 PolarHBondContact O-N 3.46Å; H132-V135 WeakPolarHBondContact CA-O 3.24Å; V135-F151 HydrophobicContact CB-CD1 4.42Å; V135-F151 HydrophobicContact CB-CE1 4.43Å; V135-F151 HydrophobicContact CG1-CD1 4.4Å; V135-F151 HydrophobicContact CG1-CE1 3.99Å; V135-F151 HydrophobicContact CG2-CD1 4Å; V135-F151 HydrophobicContact CG2-CE1 4.03Å; V135-W187 HydrophobicContact CG2-CE3 4.22Å; V135-W187 HydrophobicContact CG2-CZ3 4.45Å; V135-L191 HydrophobicContact CG2-CD1 4.32Å; V135-L191 HydrophobicContact CG2-CD2 4.44Å |
| 136 | P | 90.5 | Very high | 88.6 | Confident | 19 Ų | 19 | 50 Ų | 50 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | trans | -58.7 | 145.1 | -178.4 | -26 | 34.8 | 0 | 0 | 0 | 113.2 | V134 Q139 H150 Q152 | V134-P136 WeakPolarHBondContact O-CD 3.4Å; P136-Q139 PolarHBondContact O-NE2 2.93Å; P136-H150 WeakPolarHBondContact CB-NE2 3.26Å; P136-Q152 HydrophobicContact CG-CG 4.41Å | ||
| 137 | H | 86.4 | Confident | 89.2 | Confident | 135 Ų | 135 | 46.6 Ų | 46.6 | 63% | 0.625 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -66.7 | 164.4 | 173.7 | -64.7 | -77.6 | 0 | 0 | 0 | 112.8 | H132 | H132-H137 AromaticContact CD2-CE1 3.31Å; H132-H137 PolarHBondContact CD2-CE1 3.48Å; H132-H137 AromaticContact CD2-NE2 3.33Å; H132-H137 PolarHBondContact CD2-NE2 2.94Å; H132-H137 VanDerWaalsContact CD2-NE2 3.33Å; H132-H137 AromaticContact CE1-CE1 3.08Å; H132-H137 PolarHBondContact CE1-CE1 3.5Å; H132-H137 AromaticContact CE1-ND1 3.62Å; H132-H137 AromaticContact CE1-NE2 3.8Å; H132-H137 AromaticContact CG-CD2 3.94Å; H132-H137 AromaticContact CG-CE1 3.29Å; H132-H137 AromaticContact CG-NE2 3.15Å; H132-H137 AromaticContact ND1-CE1 3.13Å; H132-H137 PolarHBondContact ND1-CE1 2.94Å; H132-H137 AromaticContact ND1-ND1 3.57Å; H132-H137 AromaticContact ND1-NE2 3.46Å; H132-H137 PolarHBondContact ND1-NE2 3.37Å; H132-H137 AromaticContact NE2-CE1 3.17Å; H132-H137 PolarHBondContact NE2-CE1 3.35Å; H132-H137 AromaticContact NE2-NE2 3.73Å |
| 138 | G | 86.2 | Confident | 89.9 | Confident | 67 Ų | 67 | 45.6 Ų | 45.6 | 69% | 0.691 | 25% | 0.25 | S | C | * | . | S | Bend | trans | 86.1 | 7.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 139 | Q | 92.6 | Very high | 90.5 | Very high | 15 Ų | 15 | 41 Ų | 41 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | trans | -89.2 | 131.9 | 172.6 | -59.4 | -172.8 | 84.5 | 0 | 0 | 110.3 | F97 P136 F149 H150 | F97-Q139 HydrophobicContact CD1-CB 3.85Å; F97-Q139 HydrophobicContact CE1-CB 3.74Å; F97-Q139 HydrophobicContact CE1-CG 4.49Å; F97-Q139 HydrophobicContact CE2-CB 4.45Å; F97-Q139 HydrophobicContact CG-CB 4.26Å; F97-Q139 HydrophobicContact CZ-CB 4.06Å; P136-Q139 PolarHBondContact O-NE2 2.93Å; Q139-F149 HydrophobicContact CB-CD1 4Å; Q139-F149 HydrophobicContact CB-CE1 4.18Å; Q139-F149 HydrophobicContact CG-CD1 4.45Å; Q139-H150 PolarHBondContact NE2-O 2.87Å; Q139-H150 PolarHBondContact OE1-O 3.09Å | ||
| 140 | S | 92.6 | Very high | 91.2 | Very high | 29 Ų | 29 | 36.7 Ų | 36.7 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | trans | -158.1 | 149.3 | -176 | 170 | 0 | 0 | 0 | 0 | 110.9 | Q142 Q143 | S140-Q142 PolarHBondContact OG-N 3.4Å; S140-Q142 PolarHBondContact OG-OE1 3.43Å; S140-Q143 PolarHBondContact OG-N 3.24Å; S140-Q143 VanDerWaalsContact OG-N 3.14Å | ||
| 141 | F | 92.2 | Very high | 91.7 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 8% | 0.075 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -83.8 | -14.7 | 170.3 | -69.6 | -80.3 | 0 | 0 | 0 | 113.1 | P88 P95 E96 F97 Y145 F149 D166 F186 L190 | P88-F141 HydrophobicContact CB-CE1 3.84Å; P88-F141 HydrophobicContact CB-CZ 3.95Å; P88-F141 HydrophobicContact CG-CE1 3.74Å; P88-F141 HydrophobicContact CG-CZ 3.73Å; P95-F141 HydrophobicContact CB-CB 4.4Å; P95-F141 HydrophobicContact CB-CD1 4.22Å; P95-F141 HydrophobicContact CB-CD2 4.07Å; P95-F141 HydrophobicContact CB-CE2 4.39Å; P95-F141 HydrophobicContact CB-CG 3.98Å; P95-F141 HydrophobicContact CG-CB 4.03Å; P95-F141 HydrophobicContact CG-CD1 4.2Å; P95-F141 HydrophobicContact CG-CG 4.04Å; P95-F141 WeakPolarHBondContact O-CB 3.47Å; E96-F141 VanDerWaalsContact C-CD2 3.46Å; E96-F141 WeakPolarHBondContact O-CE2 3.33Å; F97-F141 HydrophobicContact CB-CD2 4.15Å; F97-F141 HydrophobicContact CB-CE2 4.1Å; F97-F141 HydrophobicContact CD2-CE2 4.3Å; F141-Y145 HydrophobicContact CD1-CD2 4Å; F141-Y145 AromaticContact CD1-CE2 3.61Å; F141-Y145 HydrophobicContact CD1-CE2 3.61Å; F141-Y145 HydrophobicContact CE1-CE2 4.13Å; F141-Y145 WeakPolarHBondContact O-CB 3.34Å; F141-F149 HydrophobicContact CD1-CE2 4.31Å; F141-F149 AromaticContact CD1-CZ 3.83Å; F141-F149 HydrophobicContact CD1-CZ 3.83Å; F141-F149 HydrophobicContact CD2-CZ 4.33Å; F141-F149 AromaticContact CE1-CE2 3.7Å; F141-F149 HydrophobicContact CE1-CE2 3.7Å; F141-F149 AromaticContact CE1-CZ 3.47Å; F141-F149 HydrophobicContact CE1-CZ 3.47Å; F141-F149 VanDerWaalsContact CE1-CZ 3.47Å; F141-F149 HydrophobicContact CE2-CE1 4.49Å; F141-F149 HydrophobicContact CE2-CZ 4.03Å; F141-F149 HydrophobicContact CG-CZ 4.24Å; F141-F149 HydrophobicContact CZ-CE1 4.35Å; F141-F149 HydrophobicContact CZ-CE2 4.01Å; F141-F149 AromaticContact CZ-CZ 3.58Å; F141-F149 HydrophobicContact CZ-CZ 3.58Å; F141-D166 HydrophobicContact CE1-CB 4.37Å; F141-F186 HydrophobicContact CE2-CB 4.14Å; F141-F186 HydrophobicContact CE2-CD2 4.39Å; F141-F186 HydrophobicContact CZ-CB 4.07Å; F141-L190 HydrophobicContact CZ-CD1 4.02Å |
| 142 | Q | 88.7 | Confident | 92.1 | Very high | 116 Ų | 116 | 38 Ų | 38 | 54% | 0.542 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -97.8 | -48.6 | -177.1 | -59.1 | 81.3 | 4.9 | 0 | 0 | 111.3 | P95 S140 | P95-Q142 PolarHBondContact O-NE2 2.97Å; S140-Q142 PolarHBondContact OG-N 3.4Å; S140-Q142 PolarHBondContact OG-OE1 3.43Å |
| 143 | Q | 87.1 | Confident | 92.4 | Very high | 162 Ų | 162 | 35.2 Ų | 35.2 | 76% | 0.757 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -101.3 | 119.7 | -172.4 | -165.4 | 175 | 6.8 | 0 | 0 | 111.6 | S140 Y145 | S140-Q143 PolarHBondContact OG-N 3.24Å; S140-Q143 VanDerWaalsContact OG-N 3.14Å; Q143-Y145 PolarHBondContact O-N 3.45Å |
| 144 | G | 86.7 | Confident | 92.7 | Very high | 38 Ų | 38 | 34.5 Ų | 34.5 | 39% | 0.392 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 64.6 | 27.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K46 A146 | K46-G144 WeakPolarHBondContact CE-O 3.16Å; G144-A146 PolarHBondContact O-N 3.36Å |
| 145 | Y | 94.3 | Very high | 92.7 | Very high | 56 Ų | 56 | 35.2 Ų | 35.2 | 22% | 0.22 | 20% | 0.195 | C | C | . | . | trans | -67.5 | 128.4 | -177.8 | 175.4 | -106.5 | 0 | 0 | 0 | 112 | L55 F141 Q143 G147 F149 D166 | L55-Y145 HydrophobicContact CD2-CD1 4.09Å; L55-Y145 HydrophobicContact CD2-CE1 3.52Å; F141-Y145 HydrophobicContact CD1-CD2 4Å; F141-Y145 AromaticContact CD1-CE2 3.61Å; F141-Y145 HydrophobicContact CD1-CE2 3.61Å; F141-Y145 HydrophobicContact CE1-CE2 4.13Å; F141-Y145 WeakPolarHBondContact O-CB 3.34Å; Q143-Y145 PolarHBondContact O-N 3.45Å; Y145-G147 VanDerWaalsContact CE2-CA 3.46Å; Y145-F149 HydrophobicContact CE2-CE2 4.28Å; Y145-D166 WeakPolarHBondContact CE2-OD2 3.44Å; Y145-D166 VanDerWaalsContact CZ-OD2 3.3Å; Y145-D166 PolarHBondContact OH-OD2 2.93Å | ||
| 146 | A | 94.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | trans | -135.7 | 19.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | K46 C49 L50 F56 G144 I148 | K46-A146 HydrophobicContact CG-CB 4.4Å; C49-A146 HydrophobicContact CB-CB 3.8Å; L50-A146 HydrophobicContact CD2-CB 4Å; L50-A146 HydrophobicContact CG-CB 4.07Å; F56-A146 PolarHBondContact N-O 2.94Å; G144-A146 PolarHBondContact O-N 3.36Å; A146-I148 VanDerWaalsContact C-N 3.28Å; A146-I148 HydrophobicContact CB-CG2 3.99Å; A146-I148 PolarHBondContact O-N 2.97Å | ||
| 147 | G | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 64.7 | 28.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R87 Y145 D165 D166 | R87-G147 PolarHBondContact NH1-O 2.89Å; Y145-G147 VanDerWaalsContact CE2-CA 3.46Å; G147-D165 VanDerWaalsContact O-CA 3.25Å; G147-D165 WeakPolarHBondContact O-CA 3.41Å; G147-D165 WeakPolarHBondContact O-CB 3.48Å; G147-D166 PolarHBondContact O-N 3.42Å |
| 148 | I | 96.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136.5 | -175.4 | -171.2 | 174.2 | 0 | 0 | 0 | 110 | Y42 L45 K46 F56 A146 V163 I164 | Y42-I148 HydrophobicContact CD2-CD1 4.14Å; Y42-I148 HydrophobicContact CD2-CG1 4Å; Y42-I148 HydrophobicContact CE2-CG1 4.2Å; Y42-I148 HydrophobicContact CE2-CG2 4.08Å; L45-I148 HydrophobicContact CB-CD1 3.62Å; K46-I148 HydrophobicContact CB-CG2 3.88Å; K46-I148 HydrophobicContact CD-CG2 4.42Å; K46-I148 HydrophobicContact CG-CG2 3.95Å; F56-I148 HydrophobicContact CB-CB 3.72Å; F56-I148 HydrophobicContact CB-CD1 4.39Å; F56-I148 HydrophobicContact CB-CG1 4.3Å; F56-I148 HydrophobicContact CD1-CB 3.89Å; F56-I148 HydrophobicContact CD1-CD1 3.9Å; F56-I148 HydrophobicContact CD1-CG1 3.63Å; F56-I148 HydrophobicContact CD2-CD1 4.13Å; F56-I148 HydrophobicContact CE1-CD1 4.19Å; F56-I148 HydrophobicContact CE1-CG1 4.11Å; F56-I148 HydrophobicContact CE2-CD1 4.41Å; F56-I148 HydrophobicContact CG-CB 3.97Å; F56-I148 HydrophobicContact CG-CD1 3.88Å; F56-I148 HydrophobicContact CG-CG1 3.97Å; F56-I148 HydrophobicContact CZ-CD1 4.44Å; A146-I148 VanDerWaalsContact C-N 3.28Å; A146-I148 HydrophobicContact CB-CG2 3.99Å; A146-I148 PolarHBondContact O-N 2.97Å; I148-V163 HydrophobicContact CD1-CG1 3.62Å; I148-V163 HydrophobicContact CG1-CG1 3.62Å; I148-I164 WeakPolarHBondContact CA-O 3.46Å |
| 149 | F | 97.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 161.4 | -179.9 | -67.5 | -92.5 | 0 | 0 | 0 | 109.7 | F97 Q139 F141 Y145 F151 V163 I164 D166 L190 | F97-F149 AromaticContact CD2-CD1 3.69Å; F97-F149 HydrophobicContact CD2-CD1 3.69Å; F97-F149 AromaticContact CD2-CE1 3.43Å; F97-F149 HydrophobicContact CD2-CE1 3.43Å; F97-F149 VanDerWaalsContact CD2-CE1 3.43Å; F97-F149 HydrophobicContact CD2-CZ 4.36Å; F97-F149 AromaticContact CE2-CD1 3.48Å; F97-F149 HydrophobicContact CE2-CD1 3.48Å; F97-F149 VanDerWaalsContact CE2-CD1 3.48Å; F97-F149 AromaticContact CE2-CE1 3.76Å; F97-F149 HydrophobicContact CE2-CE1 3.76Å; F97-F149 HydrophobicContact CE2-CG 4.4Å; F97-F149 HydrophobicContact CG-CE1 4.15Å; F97-F149 HydrophobicContact CZ-CD1 4.25Å; Q139-F149 HydrophobicContact CB-CD1 4Å; Q139-F149 HydrophobicContact CB-CE1 4.18Å; Q139-F149 HydrophobicContact CG-CD1 4.45Å; F141-F149 HydrophobicContact CD1-CE2 4.31Å; F141-F149 AromaticContact CD1-CZ 3.83Å; F141-F149 HydrophobicContact CD1-CZ 3.83Å; F141-F149 HydrophobicContact CD2-CZ 4.33Å; F141-F149 AromaticContact CE1-CE2 3.7Å; F141-F149 HydrophobicContact CE1-CE2 3.7Å; F141-F149 AromaticContact CE1-CZ 3.47Å; F141-F149 HydrophobicContact CE1-CZ 3.47Å; F141-F149 VanDerWaalsContact CE1-CZ 3.47Å; F141-F149 HydrophobicContact CE2-CE1 4.49Å; F141-F149 HydrophobicContact CE2-CZ 4.03Å; F141-F149 HydrophobicContact CG-CZ 4.24Å; F141-F149 HydrophobicContact CZ-CE1 4.35Å; F141-F149 HydrophobicContact CZ-CE2 4.01Å; F141-F149 AromaticContact CZ-CZ 3.58Å; F141-F149 HydrophobicContact CZ-CZ 3.58Å; Y145-F149 HydrophobicContact CE2-CE2 4.28Å; F149-F151 HydrophobicContact CB-CE2 4.27Å; F149-V163 WeakPolarHBondContact O-CA 3.4Å; F149-I164 HydrophobicContact CB-CG1 4.31Å; F149-I164 PolarHBondContact N-O 3.3Å; F149-I164 PolarHBondContact O-N 3.42Å; F149-D166 HydrophobicContact CD2-CB 3.86Å; F149-D166 HydrophobicContact CE2-CB 3.67Å; F149-L190 HydrophobicContact CD1-CD1 4.07Å; F149-L190 HydrophobicContact CD2-CD1 3.84Å; F149-L190 HydrophobicContact CE1-CD1 4.26Å; F149-L190 HydrophobicContact CE2-CD1 4.05Å; F149-L190 HydrophobicContact CG-CD1 3.87Å; F149-L190 HydrophobicContact CZ-CD1 4.25Å |
| 150 | H | 96.9 | Very high | 92.8 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 151.8 | 178.1 | 75.6 | 141.2 | 0 | 0 | 0 | 112.3 | Y42 P136 Q139 E161 V162 V163 | Y42-H150 AromaticContact CD1-CD2 3.85Å; Y42-H150 AromaticContact CD1-CE1 3.84Å; Y42-H150 AromaticContact CD1-CG 3.9Å; Y42-H150 AromaticContact CD1-ND1 3.89Å; Y42-H150 AromaticContact CD1-NE2 3.83Å; Y42-H150 HydrophobicContact CD2-CB 3.84Å; Y42-H150 AromaticContact CD2-CG 3.94Å; Y42-H150 AromaticContact CE1-CD2 3.81Å; Y42-H150 AromaticContact CE1-NE2 3.72Å; Y42-H150 HydrophobicContact CE2-CB 4.48Å; Y42-H150 HydrophobicContact CG-CB 3.91Å; Y42-H150 AromaticContact CG-CD2 3.97Å; Y42-H150 AromaticContact CG-CG 3.68Å; Y42-H150 AromaticContact CG-ND1 3.93Å; Y42-H150 AromaticContact CZ-CD2 3.89Å; P136-H150 WeakPolarHBondContact CB-NE2 3.26Å; Q139-H150 PolarHBondContact NE2-O 2.87Å; Q139-H150 PolarHBondContact OE1-O 3.09Å; H150-E161 HydrophobicContact CB-CG 4.37Å; H150-E161 IonicContact CE1-OE1 3.77Å; H150-E161 PolarHBondContact CE1-OE1 3.46Å; H150-E161 IonicContact CG-OE1 3.17Å; H150-E161 IonicContact ND1-OE1 3.46Å; H150-E161 PolarHBondContact ND1-OE1 3.1Å; H150-V162 VanDerWaalsContact CA-O 3.3Å; H150-V162 WeakPolarHBondContact CA-O 3.34Å; H150-V163 HydrophobicContact CB-CG2 4.32Å |
| 151 | F | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 156.3 | -179.4 | -61 | -86.1 | 0 | 0 | 0 | 109.4 | F97 V134 V135 F149 F153 E161 V162 I164 L190 L191 A194 | F97-F151 HydrophobicContact CE2-CZ 4.16Å; F97-F151 HydrophobicContact CZ-CE1 4.1Å; F97-F151 HydrophobicContact CZ-CZ 4.02Å; V134-F151 VanDerWaalsContact O-CA 3.3Å; V134-F151 WeakPolarHBondContact O-CA 3.32Å; V134-F151 WeakPolarHBondContact O-CB 3.3Å; V135-F151 HydrophobicContact CB-CD1 4.42Å; V135-F151 HydrophobicContact CB-CE1 4.43Å; V135-F151 HydrophobicContact CG1-CD1 4.4Å; V135-F151 HydrophobicContact CG1-CE1 3.99Å; V135-F151 HydrophobicContact CG2-CD1 4Å; V135-F151 HydrophobicContact CG2-CE1 4.03Å; F149-F151 HydrophobicContact CB-CE2 4.27Å; F151-F153 HydrophobicContact CB-CE2 3.82Å; F151-F153 HydrophobicContact CB-CZ 3.87Å; F151-E161 CarbonylContact O-C 3.56Å; F151-E161 WeakPolarHBondContact O-CA 3.45Å; F151-V162 PolarHBondContact N-O 3.47Å; F151-V162 PolarHBondContact O-N 3.19Å; F151-I164 HydrophobicContact CD2-CD1 4.47Å; F151-I164 HydrophobicContact CE2-CD1 3.96Å; F151-I164 HydrophobicContact CE2-CG1 4.25Å; F151-L190 HydrophobicContact CE2-CB 3.89Å; F151-L190 HydrophobicContact CZ-CB 3.68Å; F151-L191 HydrophobicContact CB-CD1 4.16Å; F151-L191 HydrophobicContact CD1-CB 4.24Å; F151-L191 HydrophobicContact CD1-CD1 3.38Å; F151-L191 HydrophobicContact CD1-CG 4.42Å; F151-L191 HydrophobicContact CE1-CB 3.89Å; F151-L191 HydrophobicContact CE1-CD1 3.9Å; F151-L191 HydrophobicContact CG-CD1 3.86Å; F151-L191 HydrophobicContact CZ-CB 4.26Å; F151-A194 HydrophobicContact CB-CB 4.19Å; F151-A194 HydrophobicContact CD2-CB 3.45Å; F151-A194 VanDerWaalsContact CD2-CB 3.45Å; F151-A194 HydrophobicContact CE2-CB 4.18Å; F151-A194 HydrophobicContact CG-CB 4.08Å |
| 152 | Q | 95.6 | Very high | 93.2 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 13% | 0.131 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.9 | 174.8 | -56.1 | -173.6 | -12.7 | 0 | 0 | 110.6 | N31 R133 V134 P136 W159 V160 | N31-Q152 PolarHBondContact ND2-OE1 3.08Å; N31-Q152 VanDerWaalsContact ND2-OE1 3.16Å; N31-Q152 PolarHBondContact O-OE1 2.8Å; R133-Q152 WeakPolarHBondContact O-CB 3.38Å; R133-Q152 PolarHBondContact O-OE1 2.87Å; V134-Q152 WeakPolarHBondContact CA-O 3.33Å; V134-Q152 WeakPolarHBondContact CG1-O 3.34Å; V134-Q152 PolarHBondContact O-N 2.92Å; P136-Q152 HydrophobicContact CG-CG 4.41Å; Q152-W159 HydrophobicContact CB-CE3 4.03Å; Q152-W159 HydrophobicContact CB-CZ3 4.43Å; Q152-V160 WeakPolarHBondContact CA-O 3.48Å |
| 153 | F | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.6 | 175.7 | -56 | -76.1 | 0 | 0 | 0 | 109.4 | V134 F151 V160 V162 L191 A194 Y195 L198 D216 F217 | V134-F153 HydrophobicContact CG1-CD1 4.32Å; V134-F153 HydrophobicContact CG1-CE1 4.09Å; F151-F153 HydrophobicContact CB-CE2 3.82Å; F151-F153 HydrophobicContact CB-CZ 3.87Å; F153-V160 PolarHBondContact N-O 2.92Å; F153-V160 PolarHBondContact O-N 2.97Å; F153-V162 HydrophobicContact CD2-CB 4.29Å; F153-V162 HydrophobicContact CD2-CG2 3.79Å; F153-V162 HydrophobicContact CE2-CB 4.15Å; F153-V162 HydrophobicContact CE2-CG2 4.1Å; F153-L191 HydrophobicContact CE1-CD1 3.6Å; F153-L191 HydrophobicContact CE1-CG 4.48Å; F153-L191 HydrophobicContact CZ-CD1 3.62Å; F153-A194 HydrophobicContact CE2-CB 3.8Å; F153-A194 HydrophobicContact CZ-CB 3.96Å; F153-Y195 AromaticContact CD1-CD2 3.76Å; F153-Y195 HydrophobicContact CD1-CD2 3.76Å; F153-Y195 HydrophobicContact CD1-CE2 4.33Å; F153-Y195 AromaticContact CE1-CD2 3.73Å; F153-Y195 HydrophobicContact CE1-CD2 3.73Å; F153-Y195 HydrophobicContact CE1-CG 4.42Å; F153-Y195 HydrophobicContact CG-CD2 4.21Å; F153-Y195 HydrophobicContact CZ-CD2 4.15Å; F153-L198 HydrophobicContact CB-CD2 3.81Å; F153-L198 HydrophobicContact CD2-CD2 3.82Å; F153-L198 HydrophobicContact CG-CD2 3.95Å; F153-D216 CarbonylContact C-O 3.4Å; F153-D216 WeakPolarHBondContact CA-O 3.26Å; F153-F217 HydrophobicContact CD1-CD1 4.05Å; F153-F217 AromaticContact CD1-CE1 3.92Å; F153-F217 HydrophobicContact CD1-CE1 3.92Å; F153-F217 HydrophobicContact CE1-CD1 4.27Å; F153-F217 AromaticContact CE1-CE1 3.78Å; F153-F217 HydrophobicContact CE1-CE1 3.78Å |
| 154 | W | 93.7 | Very high | 94.1 | Very high | 13 Ų | 13 | 15.6 Ų | 15.6 | 5% | 0.049 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 129.3 | 166.3 | -174 | 90.6 | 0 | 0 | 0 | 108.9 | G157 E158 W159 E215 D216 M419 | W154-G157 VanDerWaalsContact CE2-N 3.29Å; W154-E158 CarbonylContact C-O 3.41Å; W154-W159 HydrophobicContact CB-CD2 4.29Å; W154-W159 HydrophobicContact CB-CE3 4.33Å; W154-W159 HydrophobicContact CB-CH2 4.34Å; W154-W159 HydrophobicContact CB-CZ2 4.28Å; W154-W159 HydrophobicContact CB-CZ3 4.36Å; W154-W159 AromaticContact CD1-NE1 3.86Å; W154-E215 HydrophobicContact CZ3-CB 4.5Å; W154-D216 PolarHBondContact N-O 2.55Å; W154-D216 WeakPolarHBondContact O-CA 3.28Å; W154-M419 HydrophobicContact CH2-CE 3.94Å; W154-M419 HydrophobicContact CH2-SD 4.21Å; W154-M419 HydrophobicContact CZ3-CE 3.68Å; W154-M419 HydrophobicContact CZ3-SD 3.85Å |
| 155 | Q | 92.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 13.8 Ų | 13.8 | 7% | 0.07 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 107.4 | 178.7 | -68.5 | -65.9 | -75.4 | 0 | 0 | 108.6 | G157 E158 V160 L198 D216 | Q155-G157 PolarHBondContact O-N 3.23Å; Q155-E158 PolarHBondContact N-O 3.2Å; Q155-E158 PolarHBondContact O-N 3.07Å; Q155-V160 HydrophobicContact CB-CG2 3.89Å; Q155-V160 HydrophobicContact CG-CB 4.39Å; Q155-V160 HydrophobicContact CG-CG2 4.02Å; Q155-L198 VanDerWaalsContact CD-CD2 3.5Å; Q155-L198 HydrophobicContact CG-CD1 4.25Å; Q155-L198 HydrophobicContact CG-CD2 3.82Å; Q155-L198 HydrophobicContact CG-CG 4.43Å; Q155-D216 PolarHBondContact NE2-OD2 3.07Å |
| 156 | F | 89.4 | Confident | 94.7 | Very high | 20 Ų | 20 | 11.1 Ų | 11.1 | 9% | 0.088 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 35.6 | 167.1 | -45.3 | -63.2 | 0 | 0 | 0 | 114.8 | M419 K421 D422 V505 | F156-M419 HydrophobicContact CD1-CG 4.2Å; F156-M419 HydrophobicContact CD1-SD 3.58Å; F156-M419 VanDerWaalsContact CD1-SD 3.58Å; F156-M419 HydrophobicContact CE1-CG 4.36Å; F156-M419 HydrophobicContact CE1-SD 3.92Å; F156-K421 HydrophobicContact CB-CD 3.87Å; F156-K421 HydrophobicContact CB-CG 4Å; F156-K421 HydrophobicContact CD1-CB 4.02Å; F156-K421 HydrophobicContact CD1-CD 4.48Å; F156-K421 HydrophobicContact CD1-CG 3.71Å; F156-K421 HydrophobicContact CD2-CB 4.11Å; F156-K421 HydrophobicContact CD2-CD 4.27Å; F156-K421 HydrophobicContact CD2-CG 4.15Å; F156-K421 HydrophobicContact CE1-CB 4.08Å; F156-K421 HydrophobicContact CE1-CG 4.26Å; F156-K421 HydrophobicContact CE2-CB 4.14Å; F156-K421 HydrophobicContact CG-CB 4.06Å; F156-K421 HydrophobicContact CG-CD 3.95Å; F156-K421 HydrophobicContact CG-CG 3.67Å; F156-K421 HydrophobicContact CZ-CB 4.14Å; F156-D422 VanDerWaalsContact CZ-N 3.29Å; F156-V505 HydrophobicContact CB-CG2 3.71Å; F156-V505 VanDerWaalsContact O-CG2 3.27Å; F156-V505 WeakPolarHBondContact O-CG2 3.4Å |
| 157 | G | 86.1 | Confident | 94.8 | Very high | 23 Ų | 23 | 12.7 Ų | 12.7 | 24% | 0.237 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 112.1 | -13.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | W154 Q155 L370 | W154-G157 VanDerWaalsContact CE2-N 3.29Å; Q155-G157 PolarHBondContact O-N 3.23Å; G157-L370 VanDerWaalsContact CA-CD1 3.4Å |
| 158 | E | 89 | Confident | 94.9 | Very high | 47 Ų | 47 | 12.9 Ų | 12.9 | 22% | 0.22 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140.5 | -169.9 | -64.9 | 165.5 | -158.9 | 0 | 0 | 110.5 | R24 G29 W154 Q155 | R24-E158 WeakPolarHBondContact CD-OE1 3.49Å; R24-E158 IonicContact CZ-OE1 2.66Å; R24-E158 IonicContact NE-OE1 3.23Å; R24-E158 IonicContact NH1-OE1 3.39Å; R24-E158 PolarHBondContact NH1-OE1 2.85Å; R24-E158 VanDerWaalsContact NH1-OE1 3.09Å; G29-E158 CarbonylContact O-C 3.56Å; G29-E158 WeakPolarHBondContact O-CA 3.24Å; W154-E158 CarbonylContact C-O 3.41Å; Q155-E158 PolarHBondContact N-O 3.2Å; Q155-E158 PolarHBondContact O-N 3.07Å |
| 159 | W | 92.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 12.7 Ų | 12.7 | 8% | 0.076 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 131.5 | 169.7 | -72.2 | 89.7 | 0 | 0 | 0 | 110 | G29 N31 A34 V35 R133 Q152 W154 | G29-W159 PolarHBondContact O-N 3.23Å; N31-W159 HydrophobicContact CB-CD2 4.32Å; N31-W159 HydrophobicContact CB-CG 4.11Å; A34-W159 CarbonylContact C-O 3.57Å; A34-W159 WeakPolarHBondContact CA-O 3.3Å; A34-W159 HydrophobicContact CB-CB 4.1Å; V35-W159 PolarHBondContact N-O 3.36Å; R133-W159 HydrophobicContact CB-CH2 4.36Å; Q152-W159 HydrophobicContact CB-CE3 4.03Å; Q152-W159 HydrophobicContact CB-CZ3 4.43Å; W154-W159 HydrophobicContact CB-CD2 4.29Å; W154-W159 HydrophobicContact CB-CE3 4.33Å; W154-W159 HydrophobicContact CB-CH2 4.34Å; W154-W159 HydrophobicContact CB-CZ2 4.28Å; W154-W159 HydrophobicContact CB-CZ3 4.36Å; W154-W159 AromaticContact CD1-NE1 3.86Å |
| 160 | V | 94.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 12.8 Ų | 12.8 | 9% | 0.085 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 123.4 | -177.4 | -179.4 | 0 | 0 | 0 | 0 | 109 | V35 F37 Q152 F153 Q155 V162 L198 | V35-V160 HydrophobicContact CB-CG2 4.3Å; V35-V160 CarbonylContact O-C 3.58Å; V35-V160 WeakPolarHBondContact O-CA 3.42Å; F37-V160 HydrophobicContact CB-CG1 3.75Å; F37-V160 HydrophobicContact CD2-CG1 4.01Å; F37-V160 HydrophobicContact CG-CG1 4.26Å; Q152-V160 WeakPolarHBondContact CA-O 3.48Å; F153-V160 PolarHBondContact N-O 2.92Å; F153-V160 PolarHBondContact O-N 2.97Å; Q155-V160 HydrophobicContact CB-CG2 3.89Å; Q155-V160 HydrophobicContact CG-CB 4.39Å; Q155-V160 HydrophobicContact CG-CG2 4.02Å; V160-V162 HydrophobicContact CG1-CG2 4.27Å; V160-L198 HydrophobicContact CG1-CD1 4.38Å |
| 161 | E | 95.9 | Very high | 94.3 | Very high | 25 Ų | 25 | 14.8 Ų | 14.8 | 12% | 0.117 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.6 | 173.3 | -178.4 | 178.9 | -115 | 0 | 0 | 110.2 | A34 V35 F37 H150 F151 | A34-E161 HydrophobicContact CB-CB 4.12Å; V35-E161 PolarHBondContact O-N 2.89Å; F37-E161 WeakPolarHBondContact CB-O 3.48Å; F37-E161 PolarHBondContact N-O 3.33Å; H150-E161 HydrophobicContact CB-CG 4.37Å; H150-E161 IonicContact CE1-OE1 3.77Å; H150-E161 PolarHBondContact CE1-OE1 3.46Å; H150-E161 IonicContact CG-OE1 3.17Å; H150-E161 IonicContact ND1-OE1 3.46Å; H150-E161 PolarHBondContact ND1-OE1 3.1Å; F151-E161 CarbonylContact O-C 3.56Å; F151-E161 WeakPolarHBondContact O-CA 3.45Å |
| 162 | V | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.4 | 179.5 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | F37 H150 F151 F153 V160 I164 A194 K197 L198 | F37-V162 HydrophobicContact CB-CG2 3.98Å; F37-V162 HydrophobicContact CD1-CG1 4.19Å; F37-V162 HydrophobicContact CD1-CG2 4.3Å; F37-V162 HydrophobicContact CG-CG2 4.13Å; H150-V162 VanDerWaalsContact CA-O 3.3Å; H150-V162 WeakPolarHBondContact CA-O 3.34Å; F151-V162 PolarHBondContact N-O 3.47Å; F151-V162 PolarHBondContact O-N 3.19Å; F153-V162 HydrophobicContact CD2-CB 4.29Å; F153-V162 HydrophobicContact CD2-CG2 3.79Å; F153-V162 HydrophobicContact CE2-CB 4.15Å; F153-V162 HydrophobicContact CE2-CG2 4.1Å; V160-V162 HydrophobicContact CG1-CG2 4.27Å; V162-I164 HydrophobicContact CG1-CG2 4.35Å; V162-A194 HydrophobicContact CB-CB 4.46Å; V162-A194 HydrophobicContact CG1-CB 4.11Å; V162-K197 HydrophobicContact CG1-CD 3.98Å; V162-K197 HydrophobicContact CG1-CG 4.33Å; V162-L198 HydrophobicContact CG2-CB 4.38Å; V162-L198 HydrophobicContact CG2-CD1 4.02Å |
| 163 | V | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 138.7 | 175.6 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | Q40 L45 F56 I148 F149 H150 K197 | Q40-V163 HydrophobicContact CB-CB 4.28Å; Q40-V163 HydrophobicContact CB-CG2 4.24Å; L45-V163 HydrophobicContact CD1-CG1 4.37Å; F56-V163 HydrophobicContact CE1-CG1 4.15Å; F56-V163 HydrophobicContact CZ-CG1 4.43Å; I148-V163 HydrophobicContact CD1-CG1 3.62Å; I148-V163 HydrophobicContact CG1-CG1 3.62Å; F149-V163 WeakPolarHBondContact O-CA 3.4Å; H150-V163 HydrophobicContact CB-CG2 4.32Å; V163-K197 PolarHBondContact O-NZ 3Å |
| 164 | I | 98 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 158.2 | 174.6 | 57.4 | 162.3 | 0 | 0 | 0 | 111.5 | I148 F149 F151 V162 L190 K193 A194 K197 | I148-I164 WeakPolarHBondContact CA-O 3.46Å; F149-I164 HydrophobicContact CB-CG1 4.31Å; F149-I164 PolarHBondContact N-O 3.3Å; F149-I164 PolarHBondContact O-N 3.42Å; F151-I164 HydrophobicContact CD2-CD1 4.47Å; F151-I164 HydrophobicContact CE2-CD1 3.96Å; F151-I164 HydrophobicContact CE2-CG1 4.25Å; V162-I164 HydrophobicContact CG1-CG2 4.35Å; I164-L190 HydrophobicContact CD1-CB 4.04Å; I164-L190 HydrophobicContact CD1-CD2 4Å; I164-L190 WeakPolarHBondContact CD1-O 3.39Å; I164-K193 HydrophobicContact CD1-CB 3.98Å; I164-K193 HydrophobicContact CD1-CD 4.05Å; I164-K193 HydrophobicContact CD1-CG 4.09Å; I164-A194 HydrophobicContact CD1-CB 4.14Å; I164-A194 HydrophobicContact CG1-CB 4.42Å; I164-A194 HydrophobicContact CG2-CB 3.98Å; I164-K197 HydrophobicContact CG2-CB 4.46Å; I164-K197 HydrophobicContact CG2-CD 3.8Å |
| 165 | D | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 168.2 | 158.4 | 70 | 57 | 0 | 0 | 0 | 111.8 | F56 D58 G147 R167 K193 | F56-D165 HydrophobicContact CD1-CB 3.73Å; F56-D165 HydrophobicContact CE1-CB 4.34Å; F56-D165 WeakPolarHBondContact O-CB 3.27Å; D58-D165 HydrophobicContact CB-CB 4.41Å; D58-D165 VanDerWaalsContact CB-OD2 3.27Å; D58-D165 WeakPolarHBondContact CB-OD2 3.47Å; D58-D165 PolarHBondContact N-OD2 2.91Å; G147-D165 VanDerWaalsContact O-CA 3.25Å; G147-D165 WeakPolarHBondContact O-CA 3.41Å; G147-D165 WeakPolarHBondContact O-CB 3.48Å; D165-R167 VanDerWaalsContact CG-NE 3.33Å; D165-R167 VanDerWaalsContact OD1-CB 3.27Å; D165-R167 WeakPolarHBondContact OD1-CB 3.35Å; D165-R167 PolarHBondContact OD1-N 3.32Å; D165-R167 IonicContact OD1-NE 3.62Å; D165-R167 PolarHBondContact OD1-NE 3.33Å; D165-R167 IonicContact OD2-CZ 2.78Å; D165-R167 VanDerWaalsContact OD2-CZ 3.27Å; D165-R167 IonicContact OD2-NE 3.62Å; D165-R167 PolarHBondContact OD2-NE 3.14Å; D165-R167 VanDerWaalsContact OD2-NE 3.1Å; D165-R167 IonicContact OD2-NH2 2.83Å; D165-R167 PolarHBondContact OD2-NH2 2.91Å; D165-K193 PolarHBondContact O-NZ 3.44Å; D165-K193 IonicContact OD1-NZ 2.82Å; D165-K193 PolarHBondContact OD1-NZ 2.91Å |
| 166 | D | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -92.7 | 13.5 | -177.4 | 69.2 | -5.4 | 0 | 0 | 0 | 115.5 | R87 P88 F141 Y145 G147 F149 L168 L190 | R87-D166 WeakPolarHBondContact CD-OD1 3.39Å; R87-D166 VanDerWaalsContact CG-OD1 3.24Å; R87-D166 WeakPolarHBondContact CG-OD1 3.34Å; R87-D166 IonicContact CZ-OD1 2.87Å; R87-D166 IonicContact NE-OD1 3.68Å; R87-D166 IonicContact NH1-OD1 3.96Å; R87-D166 PolarHBondContact NH1-OD1 3.08Å; P88-D166 WeakPolarHBondContact CD-O 3.47Å; F141-D166 HydrophobicContact CE1-CB 4.37Å; Y145-D166 WeakPolarHBondContact CE2-OD2 3.44Å; Y145-D166 VanDerWaalsContact CZ-OD2 3.3Å; Y145-D166 PolarHBondContact OH-OD2 2.93Å; G147-D166 PolarHBondContact O-N 3.42Å; F149-D166 HydrophobicContact CD2-CB 3.86Å; F149-D166 HydrophobicContact CE2-CB 3.67Å; D166-L168 PolarHBondContact O-N 3.04Å; D166-L190 HydrophobicContact CB-CD2 3.88Å | ||
| 167 | R | 96.7 | Very high | 93.1 | Very high | 36 Ų | 36 | 31.8 Ų | 31.8 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | trans | -73.3 | 122.2 | 176.6 | -62.4 | 174.8 | -72 | -173.6 | 6.7 | 110 | E57 C63 W85 R87 D165 K193 | E57-R167 IonicContact OE1-NH1 3.94Å; E57-R167 IonicContact OE2-NH1 2.63Å; C63-R167 VanDerWaalsContact SG-CB 3.59Å; C63-R167 WeakPolarHBondContact SG-CD 3.24Å; C63-R167 PolarHBondContact SG-NE 2.83Å; W85-R167 HydrophobicContact CB-CB 4.31Å; W85-R167 HydrophobicContact CE3-CB 4.2Å; W85-R167 VanDerWaalsContact CE3-O 3.25Å; W85-R167 WeakPolarHBondContact CZ3-O 3.46Å; R87-R167 HydrophobicContact CG-CG 3.76Å; D165-R167 VanDerWaalsContact CG-NE 3.33Å; D165-R167 VanDerWaalsContact OD1-CB 3.27Å; D165-R167 WeakPolarHBondContact OD1-CB 3.35Å; D165-R167 PolarHBondContact OD1-N 3.32Å; D165-R167 IonicContact OD1-NE 3.62Å; D165-R167 PolarHBondContact OD1-NE 3.33Å; D165-R167 IonicContact OD2-CZ 2.78Å; D165-R167 VanDerWaalsContact OD2-CZ 3.27Å; D165-R167 IonicContact OD2-NE 3.62Å; D165-R167 PolarHBondContact OD2-NE 3.14Å; D165-R167 VanDerWaalsContact OD2-NE 3.1Å; D165-R167 IonicContact OD2-NH2 2.83Å; D165-R167 PolarHBondContact OD2-NH2 2.91Å; R167-K193 WeakPolarHBondContact O-CE 3.44Å; R167-K193 PolarHBondContact O-NZ 3.47Å | ||
| 168 | L | 96.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 145.4 | -177.1 | -67.5 | 168.2 | 0 | 0 | 0 | 111.7 | W85 M86 P88 D166 V170 L175 F186 A189 L190 K193 | W85-L168 WeakPolarHBondContact CA-O 3.22Å; M86-L168 PolarHBondContact N-O 3.18Å; M86-L168 PolarHBondContact O-N 3.48Å; P88-L168 HydrophobicContact CG-CD1 4.32Å; D166-L168 PolarHBondContact O-N 3.04Å; L168-V170 PolarHBondContact O-N 3.11Å; L168-L175 HydrophobicContact CB-CD2 3.62Å; L168-L175 HydrophobicContact CD1-CD2 3.81Å; L168-L175 HydrophobicContact CG-CD2 4.33Å; L168-F186 HydrophobicContact CD1-CD1 3.96Å; L168-A189 HydrophobicContact CD1-CB 3.76Å; L168-A189 HydrophobicContact CD2-CB 4.07Å; L168-L190 HydrophobicContact CD2-CD2 4.2Å; L168-L190 HydrophobicContact CG-CD2 4.44Å; L168-K193 HydrophobicContact CD2-CB 4.43Å; L168-K193 HydrophobicContact CD2-CD 4.23Å |
| 169 | P | 95.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 122.5 | 174.5 | -24.5 | 38.1 | 0 | 0 | 0 | 112.5 | L68 V83 W85 L176 F177 Y202 | L68-P169 HydrophobicContact CD2-CB 3.88Å; L68-P169 HydrophobicContact CD2-CG 3.66Å; V83-P169 HydrophobicContact CG1-CB 3.96Å; W85-P169 HydrophobicContact CD2-CG 4.27Å; W85-P169 HydrophobicContact CE3-CG 4.03Å; W85-P169 HydrophobicContact CH2-CG 3.76Å; W85-P169 HydrophobicContact CZ2-CG 3.99Å; W85-P169 HydrophobicContact CZ3-CG 3.77Å; P169-L176 HydrophobicContact CB-CB 4.27Å; P169-L176 HydrophobicContact CB-CD2 4.42Å; P169-L176 WeakPolarHBondContact O-CB 3.35Å; P169-L176 PolarHBondContact O-N 3Å; P169-F177 HydrophobicContact CB-CD2 4.15Å; P169-F177 HydrophobicContact CB-CE2 3.92Å; P169-F177 HydrophobicContact CG-CD2 4Å; P169-F177 HydrophobicContact CG-CE2 3.75Å; P169-Y202 HydrophobicContact CG-CE2 3.94Å |
| 170 | V | 93.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.7 | -175.9 | 172.1 | 0 | 0 | 0 | 0 | 109.8 | V83 R84 M86 L91 L168 K174 L175 | V83-V170 WeakPolarHBondContact CA-O 3.45Å; R84-V170 PolarHBondContact N-O 3.35Å; R84-V170 PolarHBondContact O-N 3.2Å; M86-V170 HydrophobicContact CB-CG2 4.14Å; M86-V170 HydrophobicContact CG-CB 4.46Å; M86-V170 HydrophobicContact SD-CB 4.35Å; M86-V170 HydrophobicContact SD-CG1 4.05Å; L91-V170 HydrophobicContact CD1-CG2 3.84Å; L91-V170 HydrophobicContact CD2-CG1 4.1Å; L91-V170 HydrophobicContact CD2-CG2 3.95Å; L91-V170 HydrophobicContact CG-CG2 4.47Å; L168-V170 PolarHBondContact O-N 3.11Å; V170-K174 CarbonylContact C-O 3.5Å; V170-K174 VanDerWaalsContact CA-O 3.27Å; V170-K174 WeakPolarHBondContact CA-O 3.26Å; V170-K174 WeakPolarHBondContact CG1-O 3.39Å; V170-L175 HydrophobicContact CG2-CD2 3.94Å |
| 171 | K | 90.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 34.1 Ų | 34.1 | 26% | 0.261 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132.5 | 173.8 | -170.1 | 172.5 | -177.1 | 172.9 | 0 | 108.9 | K79 S81 V83 G173 K174 L176 | K79-K171 PolarHBondContact O-NZ 3.06Å; S81-K171 WeakPolarHBondContact O-CE 3.48Å; S81-K171 PolarHBondContact O-NZ 2.94Å; V83-K171 HydrophobicContact CG2-CB 4.42Å; V83-K171 HydrophobicContact CG2-CD 4.39Å; K171-G173 PolarHBondContact O-N 2.79Å; K171-G173 VanDerWaalsContact O-N 3.11Å; K171-K174 PolarHBondContact N-O 2.79Å; K171-K174 PolarHBondContact O-N 3.31Å; K171-K174 VanDerWaalsContact O-O 3.1Å; K171-L176 HydrophobicContact CB-CD1 4.16Å; K171-L176 HydrophobicContact CD-CD1 4.32Å |
| 172 | D | 88.6 | Confident | 91.8 | Very high | 149 Ų | 149 | 39.6 Ų | 39.6 | 80% | 0.797 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 34 | -179.2 | -53.6 | -42.5 | 0 | 0 | 0 | 113.9 | K174 | D172-K174 VanDerWaalsContact C-N 3.29Å; D172-K174 PolarHBondContact O-N 2.99Å |
| 173 | G | 85.1 | Confident | 91 | Very high | 58 Ų | 58 | 41.8 Ų | 41.8 | 60% | 0.598 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 7.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K171 | K171-G173 PolarHBondContact O-N 2.79Å; K171-G173 VanDerWaalsContact O-N 3.11Å |
| 174 | K | 89.6 | Confident | 90.5 | Very high | 163 Ų | 163 | 44 Ų | 44 | 71% | 0.709 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 150.4 | 176 | -63.2 | -175.8 | 178.5 | -173.9 | 0 | 111.4 | V170 K171 D172 | V170-K174 CarbonylContact C-O 3.5Å; V170-K174 VanDerWaalsContact CA-O 3.27Å; V170-K174 WeakPolarHBondContact CA-O 3.26Å; V170-K174 WeakPolarHBondContact CG1-O 3.39Å; K171-K174 PolarHBondContact N-O 2.79Å; K171-K174 PolarHBondContact O-N 3.31Å; K171-K174 VanDerWaalsContact O-O 3.1Å; D172-K174 VanDerWaalsContact C-N 3.29Å; D172-K174 PolarHBondContact O-N 2.99Å |
| 175 | L | 91.6 | Very high | 90.1 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 136.4 | 172.2 | -70.6 | 172 | 0 | 0 | 0 | 109.8 | L91 L168 V170 H179 F186 A189 | L91-L175 HydrophobicContact CD1-CD2 4.01Å; L91-L175 HydrophobicContact CD1-CG 4.49Å; L168-L175 HydrophobicContact CB-CD2 3.62Å; L168-L175 HydrophobicContact CD1-CD2 3.81Å; L168-L175 HydrophobicContact CG-CD2 4.33Å; V170-L175 HydrophobicContact CG2-CD2 3.94Å; L175-H179 HydrophobicContact CB-CB 4.18Å; L175-H179 HydrophobicContact CD1-CB 3.67Å; L175-F186 HydrophobicContact CD1-CD1 4.33Å; L175-F186 HydrophobicContact CD1-CE1 4.15Å; L175-A189 HydrophobicContact CD1-CB 4.48Å |
| 176 | L | 90.9 | Very high | 90 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -80.9 | -28.4 | -176.6 | -174.5 | 64.9 | 0 | 0 | 0 | 112.7 | V83 S111 P169 K171 | V83-L176 HydrophobicContact CG2-CD2 3.85Å; S111-L176 PolarHBondContact N-O 3.44Å; S111-L176 WeakPolarHBondContact OG-CD1 3.39Å; S111-L176 WeakPolarHBondContact OG-CG 3.47Å; S111-L176 PolarHBondContact OG-O 2.95Å; P169-L176 HydrophobicContact CB-CB 4.27Å; P169-L176 HydrophobicContact CB-CD2 4.42Å; P169-L176 WeakPolarHBondContact O-CB 3.35Å; P169-L176 PolarHBondContact O-N 3Å; K171-L176 HydrophobicContact CB-CD1 4.16Å; K171-L176 HydrophobicContact CD-CD1 4.32Å |
| 177 | F | 92.7 | Very high | 89.8 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -116.6 | -150.1 | -174.2 | -55.5 | -52.7 | 0 | 0 | 0 | 110.6 | L68 L73 G110 L112 P169 H179 E192 Y202 | L68-F177 HydrophobicContact CD2-CE2 3.96Å; L68-F177 HydrophobicContact CD2-CZ 4.2Å; L73-F177 HydrophobicContact CD1-CE1 4.06Å; L73-F177 HydrophobicContact CD1-CZ 4.07Å; G110-F177 WeakPolarHBondContact CA-O 3.46Å; L112-F177 HydrophobicContact CB-CD1 3.61Å; L112-F177 HydrophobicContact CB-CE1 3.82Å; L112-F177 HydrophobicContact CD2-CD1 4.11Å; L112-F177 HydrophobicContact CD2-CE1 4.12Å; L112-F177 HydrophobicContact CG-CD1 4.47Å; L112-F177 HydrophobicContact CG-CE1 4.43Å; P169-F177 HydrophobicContact CB-CD2 4.15Å; P169-F177 HydrophobicContact CB-CE2 3.92Å; P169-F177 HydrophobicContact CG-CD2 4Å; P169-F177 HydrophobicContact CG-CE2 3.75Å; F177-H179 PolarHBondContact O-ND1 3.35Å; F177-E192 WeakPolarHBondContact CB-OE2 3.3Å; F177-Y202 HydrophobicContact CB-CE1 4.49Å; F177-Y202 AromaticContact CD2-CD1 3.42Å; F177-Y202 HydrophobicContact CD2-CD1 3.42Å; F177-Y202 VanDerWaalsContact CD2-CD1 3.42Å; F177-Y202 HydrophobicContact CD2-CD2 4.31Å; F177-Y202 AromaticContact CD2-CE1 3.33Å; F177-Y202 HydrophobicContact CD2-CE1 3.33Å; F177-Y202 HydrophobicContact CD2-CE2 4.24Å; F177-Y202 AromaticContact CD2-CG 3.91Å; F177-Y202 HydrophobicContact CD2-CG 3.91Å; F177-Y202 AromaticContact CD2-CZ 3.75Å; F177-Y202 AromaticContact CE2-CD1 3.38Å; F177-Y202 HydrophobicContact CE2-CD1 3.38Å; F177-Y202 AromaticContact CE2-CD2 3.66Å; F177-Y202 HydrophobicContact CE2-CD2 3.66Å; F177-Y202 AromaticContact CE2-CE1 3.68Å; F177-Y202 HydrophobicContact CE2-CE1 3.68Å; F177-Y202 AromaticContact CE2-CE2 3.93Å; F177-Y202 HydrophobicContact CE2-CE2 3.93Å; F177-Y202 AromaticContact CE2-CG 3.35Å; F177-Y202 HydrophobicContact CE2-CG 3.35Å; F177-Y202 AromaticContact CE2-CZ 3.92Å; F177-Y202 HydrophobicContact CG-CD1 4.04Å; F177-Y202 HydrophobicContact CG-CE1 4.09Å; F177-Y202 AromaticContact CZ-CD1 4Å; F177-Y202 HydrophobicContact CZ-CD1 4Å; F177-Y202 HydrophobicContact CZ-CD2 4.37Å; F177-Y202 AromaticContact CZ-CG 3.81Å; F177-Y202 HydrophobicContact CZ-CG 3.81Å |
| 178 | V | 91.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | trans | -56.9 | 142.1 | -176 | 75.4 | 0 | 0 | 0 | 0 | 112.4 | I107 C108 L118 S188 A189 E192 | I107-V178 HydrophobicContact CG2-CG2 3.98Å; C108-V178 WeakPolarHBondContact O-CA 3.45Å; L118-V178 HydrophobicContact CD2-CB 4.18Å; L118-V178 HydrophobicContact CD2-CG2 3.75Å; L118-V178 HydrophobicContact CG-CG2 4.11Å; V178-S188 WeakPolarHBondContact CG1-O 3.5Å; V178-A189 VanDerWaalsContact CG1-CA 3.47Å; V178-A189 HydrophobicContact CG1-CB 4.32Å; V178-A189 WeakPolarHBondContact O-CB 3.45Å; V178-E192 VanDerWaalsContact CB-OE1 3.32Å; V178-E192 WeakPolarHBondContact CB-OE1 3.47Å; V178-E192 HydrophobicContact CG1-CB 3.58Å; V178-E192 VanDerWaalsContact CG1-CD 3.45Å; V178-E192 HydrophobicContact CG1-CG 4.09Å; V178-E192 WeakPolarHBondContact CG1-OE1 3.41Å; V178-E192 PolarHBondContact N-OE1 3.47Å; V178-E192 VanDerWaalsContact N-OE1 3.14Å; V178-E192 PolarHBondContact N-OE2 3.19Å | ||
| 179 | H | 89.3 | Confident | 89.6 | Confident | 67 Ų | 67 | 42.7 Ų | 42.7 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -151 | 159.7 | 177.1 | 58.4 | -76.8 | 0 | 0 | 0 | 111 | D106 C108 L175 F177 | D106-H179 CarbonylContact O-C 3.52Å; C108-H179 WeakPolarHBondContact CB-O 3.17Å; C108-H179 PolarHBondContact N-O 3.15Å; C108-H179 PolarHBondContact O-N 3.39Å; L175-H179 HydrophobicContact CB-CB 4.18Å; L175-H179 HydrophobicContact CD1-CB 3.67Å; F177-H179 PolarHBondContact O-ND1 3.35Å |
| 180 | S | 88.1 | Confident | 89.6 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | trans | -84.5 | 145.8 | 172.8 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | D106 E182 G183 E185 | D106-S180 VanDerWaalsContact O-CA 3.29Å; D106-S180 WeakPolarHBondContact O-CA 3.46Å; D106-S180 PolarHBondContact O-N 2.96Å; S180-E182 PolarHBondContact O-N 3.23Å; S180-E182 PolarHBondContact OG-N 3.07Å; S180-G183 PolarHBondContact O-N 3.44Å; S180-E185 PolarHBondContact OG-OE2 3.15Å | ||
| 181 | A | 81.8 | Confident | 89.8 | Confident | 78 Ų | 78 | 42.4 Ų | 42.4 | 65% | 0.645 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -27.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G183 | A181-G183 VanDerWaalsContact C-N 3.3Å; A181-G183 PolarHBondContact O-N 2.8Å |
| 182 | E | 79.3 | Confident | 90 | Very high | 140 Ų | 140 | 39.6 Ų | 39.6 | 65% | 0.654 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -27.3 | 178.2 | -168.7 | 62.2 | -148 | 0 | 0 | 111.9 | S180 T184 | S180-E182 PolarHBondContact O-N 3.23Å; S180-E182 PolarHBondContact OG-N 3.07Å; E182-T184 PolarHBondContact O-N 2.82Å |
| 183 | G | 79.5 | Confident | 90.4 | Very high | 46 Ų | 46 | 32.5 Ų | 32.5 | 47% | 0.474 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 77.4 | -10 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | S180 A181 | S180-G183 PolarHBondContact O-N 3.44Å; A181-G183 VanDerWaalsContact C-N 3.3Å; A181-G183 PolarHBondContact O-N 2.8Å |
| 184 | T | 87.4 | Confident | 91 | Very high | 46 Ų | 46 | 29.8 Ų | 29.8 | 28% | 0.282 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -104.8 | -2.1 | 173.8 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | E96 E182 F186 | E96-T184 PolarHBondContact N-O 3.21Å; E182-T184 PolarHBondContact O-N 2.82Å; T184-F186 VanDerWaalsContact C-CE2 3.44Å; T184-F186 VanDerWaalsContact O-CD2 3.3Å; T184-F186 WeakPolarHBondContact O-CD2 3.29Å; T184-F186 WeakPolarHBondContact O-CE2 3.48Å |
| 185 | E | 90.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 22 Ų | 22 | 2% | 0.023 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -108.4 | 136.4 | -175.6 | -172.1 | 178.6 | -145.9 | 0 | 0 | 111.8 | E96 F97 I98 V99 D106 S180 W187 | E96-E185 WeakPolarHBondContact O-CA 3.02Å; F97-E185 WeakPolarHBondContact O-CG 3.34Å; I98-E185 VanDerWaalsContact CA-OE1 3.26Å; I98-E185 WeakPolarHBondContact CA-OE1 3.11Å; V99-E185 HydrophobicContact CG2-CB 4.02Å; V99-E185 HydrophobicContact CG2-CG 4.23Å; V99-E185 PolarHBondContact N-OE1 3.29Å; D106-E185 VanDerWaalsContact CB-OE2 3.3Å; D106-E185 WeakPolarHBondContact CB-OE2 3.1Å; S180-E185 PolarHBondContact OG-OE2 3.15Å; E185-W187 VanDerWaalsContact OE1-CD1 3.27Å; E185-W187 PolarHBondContact OE1-NE1 3.11Å |
| 186 | F | 93.8 | Very high | 91.4 | Very high | 5 Ų | 5 | 20.3 Ų | 20.3 | 2% | 0.022 | 13% | 0.125 | C | C | . | . | trans | -131.9 | 0.4 | -167.2 | -63.4 | -88 | 0 | 0 | 0 | 115.8 | P88 L91 C92 P95 E96 F141 L168 L175 T184 S188 A189 L190 | P88-F186 HydrophobicContact CB-CD1 3.95Å; P88-F186 HydrophobicContact CB-CD2 3.75Å; P88-F186 HydrophobicContact CB-CE1 3.96Å; P88-F186 HydrophobicContact CB-CE2 3.78Å; P88-F186 HydrophobicContact CB-CG 3.84Å; P88-F186 HydrophobicContact CB-CZ 3.89Å; P88-F186 HydrophobicContact CG-CB 4.22Å; P88-F186 HydrophobicContact CG-CD1 3.76Å; P88-F186 HydrophobicContact CG-CD2 4.22Å; P88-F186 HydrophobicContact CG-CE1 4.16Å; P88-F186 HydrophobicContact CG-CG 3.8Å; L91-F186 HydrophobicContact CD1-CE1 4.4Å; C92-F186 VanDerWaalsContact SG-CE2 3.56Å; P95-F186 HydrophobicContact CB-CD2 4.06Å; P95-F186 HydrophobicContact CB-CE2 3.85Å; E96-F186 PolarHBondContact O-N 3.01Å; F141-F186 HydrophobicContact CE2-CB 4.14Å; F141-F186 HydrophobicContact CE2-CD2 4.39Å; F141-F186 HydrophobicContact CZ-CB 4.07Å; L168-F186 HydrophobicContact CD1-CD1 3.96Å; L175-F186 HydrophobicContact CD1-CD1 4.33Å; L175-F186 HydrophobicContact CD1-CE1 4.15Å; T184-F186 VanDerWaalsContact C-CE2 3.44Å; T184-F186 VanDerWaalsContact O-CD2 3.3Å; T184-F186 WeakPolarHBondContact O-CD2 3.29Å; T184-F186 WeakPolarHBondContact O-CE2 3.48Å; F186-S188 VanDerWaalsContact C-N 3.3Å; F186-S188 PolarHBondContact O-N 3.14Å; F186-A189 PolarHBondContact O-N 3.22Å; F186-L190 HydrophobicContact CB-CD1 4.5Å; F186-L190 VanDerWaalsContact O-CG 3.31Å; F186-L190 WeakPolarHBondContact O-CG 3.46Å; F186-L190 PolarHBondContact O-N 3.4Å | ||
| 187 | W | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.4 | -41 | -179.3 | 70.9 | -90.4 | 0 | 0 | 0 | 112.6 | F97 I98 A102 D106 I107 I121 T125 L131 V135 E185 L190 L191 | F97-W187 HydrophobicContact CD1-CB 4.35Å; F97-W187 HydrophobicContact CD2-CB 4.15Å; F97-W187 HydrophobicContact CE1-CB 4.1Å; F97-W187 HydrophobicContact CE2-CB 3.89Å; F97-W187 HydrophobicContact CG-CB 4.37Å; F97-W187 HydrophobicContact CZ-CB 3.87Å; F97-W187 VanDerWaalsContact O-CB 3.24Å; F97-W187 WeakPolarHBondContact O-CB 3.03Å; F97-W187 VanDerWaalsContact O-CD1 3.3Å; F97-W187 PolarHBondContact O-N 3.32Å; F97-W187 VanDerWaalsContact O-N 3.09Å; I98-W187 HydrophobicContact CG1-CB 3.83Å; I98-W187 HydrophobicContact CG1-CG 3.75Å; A102-W187 HydrophobicContact CB-CD2 4.29Å; A102-W187 HydrophobicContact CB-CH2 4.31Å; A102-W187 HydrophobicContact CB-CZ2 3.67Å; D106-W187 HydrophobicContact CB-CZ2 4.11Å; D106-W187 PolarHBondContact OD2-NE1 2.99Å; I107-W187 HydrophobicContact CD1-CH2 4.25Å; I107-W187 HydrophobicContact CG1-CH2 4.46Å; I107-W187 HydrophobicContact CG1-CZ2 4.47Å; I121-W187 HydrophobicContact CG2-CH2 3.57Å; I121-W187 HydrophobicContact CG2-CZ3 3.68Å; T125-W187 HydrophobicContact CG2-CH2 3.64Å; T125-W187 HydrophobicContact CG2-CZ2 3.89Å; L131-W187 HydrophobicContact CD1-CH2 4.26Å; L131-W187 HydrophobicContact CD1-CZ3 4.02Å; V135-W187 HydrophobicContact CG2-CE3 4.22Å; V135-W187 HydrophobicContact CG2-CZ3 4.45Å; E185-W187 VanDerWaalsContact OE1-CD1 3.27Å; E185-W187 PolarHBondContact OE1-NE1 3.11Å; W187-L190 PolarHBondContact O-N 3.14Å; W187-L191 HydrophobicContact CE3-CD2 4.33Å; W187-L191 HydrophobicContact CZ3-CD2 3.87Å; W187-L191 VanDerWaalsContact O-CB 3.3Å; W187-L191 WeakPolarHBondContact O-CB 3.48Å; W187-L191 PolarHBondContact O-N 3.38Å |
| 188 | S | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66 | -43.1 | -178.6 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | D106 V178 F186 L190 L191 E192 | D106-S188 PolarHBondContact O-OG 3.2Å; V178-S188 WeakPolarHBondContact CG1-O 3.5Å; F186-S188 VanDerWaalsContact C-N 3.3Å; F186-S188 PolarHBondContact O-N 3.14Å; S188-L190 PolarHBondContact O-N 3.08Å; S188-L191 PolarHBondContact O-N 3.35Å; S188-E192 PolarHBondContact O-N 3Å |
| 189 | A | 94.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63 | -39.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L168 L175 V178 F186 K193 | L168-A189 HydrophobicContact CD1-CB 3.76Å; L168-A189 HydrophobicContact CD2-CB 4.07Å; L175-A189 HydrophobicContact CD1-CB 4.48Å; V178-A189 VanDerWaalsContact CG1-CA 3.47Å; V178-A189 HydrophobicContact CG1-CB 4.32Å; V178-A189 WeakPolarHBondContact O-CB 3.45Å; F186-A189 PolarHBondContact O-N 3.22Å; A189-K193 PolarHBondContact O-N 3.4Å; A189-K193 VanDerWaalsContact O-N 3.14Å |
| 190 | L | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72.5 | -37 | 176.7 | -68.4 | 174.4 | 0 | 0 | 0 | 111.9 | F97 F141 F149 F151 I164 D166 L168 F186 W187 S188 K193 A194 | F97-L190 HydrophobicContact CD2-CD1 4.08Å; F97-L190 HydrophobicContact CE2-CD1 3.89Å; F141-L190 HydrophobicContact CZ-CD1 4.02Å; F149-L190 HydrophobicContact CD1-CD1 4.07Å; F149-L190 HydrophobicContact CD2-CD1 3.84Å; F149-L190 HydrophobicContact CE1-CD1 4.26Å; F149-L190 HydrophobicContact CE2-CD1 4.05Å; F149-L190 HydrophobicContact CG-CD1 3.87Å; F149-L190 HydrophobicContact CZ-CD1 4.25Å; F151-L190 HydrophobicContact CE2-CB 3.89Å; F151-L190 HydrophobicContact CZ-CB 3.68Å; I164-L190 HydrophobicContact CD1-CB 4.04Å; I164-L190 HydrophobicContact CD1-CD2 4Å; I164-L190 WeakPolarHBondContact CD1-O 3.39Å; D166-L190 HydrophobicContact CB-CD2 3.88Å; L168-L190 HydrophobicContact CD2-CD2 4.2Å; L168-L190 HydrophobicContact CG-CD2 4.44Å; F186-L190 HydrophobicContact CB-CD1 4.5Å; F186-L190 VanDerWaalsContact O-CG 3.31Å; F186-L190 WeakPolarHBondContact O-CG 3.46Å; F186-L190 PolarHBondContact O-N 3.4Å; W187-L190 PolarHBondContact O-N 3.14Å; S188-L190 PolarHBondContact O-N 3.08Å; L190-K193 WeakPolarHBondContact O-CB 3.31Å; L190-K193 PolarHBondContact O-N 3.48Å; L190-A194 PolarHBondContact O-N 3.36Å |
| 191 | L | 96.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.4 | -48.2 | 175.8 | -179.8 | 67.6 | 0 | 0 | 0 | 111.2 | I121 V134 V135 F151 F153 W187 S188 K193 A194 Y195 | I121-L191 HydrophobicContact CD1-CD2 3.96Å; I121-L191 HydrophobicContact CG1-CD2 3.92Å; I121-L191 HydrophobicContact CG2-CD2 3.87Å; V134-L191 HydrophobicContact CG1-CD1 3.6Å; V135-L191 HydrophobicContact CG2-CD1 4.32Å; V135-L191 HydrophobicContact CG2-CD2 4.44Å; F151-L191 HydrophobicContact CB-CD1 4.16Å; F151-L191 HydrophobicContact CD1-CB 4.24Å; F151-L191 HydrophobicContact CD1-CD1 3.38Å; F151-L191 HydrophobicContact CD1-CG 4.42Å; F151-L191 HydrophobicContact CE1-CB 3.89Å; F151-L191 HydrophobicContact CE1-CD1 3.9Å; F151-L191 HydrophobicContact CG-CD1 3.86Å; F151-L191 HydrophobicContact CZ-CB 4.26Å; F153-L191 HydrophobicContact CE1-CD1 3.6Å; F153-L191 HydrophobicContact CE1-CG 4.48Å; F153-L191 HydrophobicContact CZ-CD1 3.62Å; W187-L191 HydrophobicContact CE3-CD2 4.33Å; W187-L191 HydrophobicContact CZ3-CD2 3.87Å; W187-L191 VanDerWaalsContact O-CB 3.3Å; W187-L191 WeakPolarHBondContact O-CB 3.48Å; W187-L191 PolarHBondContact O-N 3.38Å; S188-L191 PolarHBondContact O-N 3.35Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 3.03Å; L191-A194 PolarHBondContact O-N 3.02Å; L191-Y195 PolarHBondContact O-N 2.84Å |
| 192 | E | 95.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.4 | -41.1 | 175.4 | -176 | -159.5 | -114.2 | 0 | 0 | 111.1 | L117 F177 V178 S188 A194 Y195 A196 Y202 L205 | L117-E192 HydrophobicContact CD2-CG 4.38Å; F177-E192 WeakPolarHBondContact CB-OE2 3.3Å; V178-E192 VanDerWaalsContact CB-OE1 3.32Å; V178-E192 WeakPolarHBondContact CB-OE1 3.47Å; V178-E192 HydrophobicContact CG1-CB 3.58Å; V178-E192 VanDerWaalsContact CG1-CD 3.45Å; V178-E192 HydrophobicContact CG1-CG 4.09Å; V178-E192 WeakPolarHBondContact CG1-OE1 3.41Å; V178-E192 PolarHBondContact N-OE1 3.47Å; V178-E192 VanDerWaalsContact N-OE1 3.14Å; V178-E192 PolarHBondContact N-OE2 3.19Å; S188-E192 PolarHBondContact O-N 3Å; E192-A194 PolarHBondContact O-N 2.8Å; E192-Y195 PolarHBondContact O-N 3.4Å; E192-A196 WeakPolarHBondContact O-CB 3.34Å; E192-A196 PolarHBondContact O-N 3.2Å; E192-Y202 HydrophobicContact CG-CE1 4.21Å; E192-Y202 WeakPolarHBondContact OE2-CE1 3.31Å; E192-L205 HydrophobicContact CG-CD1 4.34Å |
| 193 | K | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 174 | -176.1 | 174.5 | 169.1 | -172 | 0 | 112.7 | F61 I164 D165 R167 L168 A189 L190 L191 Y195 A196 K197 Y202 | F61-K193 HydrophobicContact CE1-CG 4.16Å; I164-K193 HydrophobicContact CD1-CB 3.98Å; I164-K193 HydrophobicContact CD1-CD 4.05Å; I164-K193 HydrophobicContact CD1-CG 4.09Å; D165-K193 PolarHBondContact O-NZ 3.44Å; D165-K193 IonicContact OD1-NZ 2.82Å; D165-K193 PolarHBondContact OD1-NZ 2.91Å; R167-K193 WeakPolarHBondContact O-CE 3.44Å; R167-K193 PolarHBondContact O-NZ 3.47Å; L168-K193 HydrophobicContact CD2-CB 4.43Å; L168-K193 HydrophobicContact CD2-CD 4.23Å; A189-K193 PolarHBondContact O-N 3.4Å; A189-K193 VanDerWaalsContact O-N 3.14Å; L190-K193 WeakPolarHBondContact O-CB 3.31Å; L190-K193 PolarHBondContact O-N 3.48Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 3.03Å; K193-Y195 VanDerWaalsContact C-N 3.28Å; K193-Y195 PolarHBondContact O-N 3.26Å; K193-A196 WeakPolarHBondContact O-CB 3.35Å; K193-A196 PolarHBondContact O-N 3.11Å; K193-K197 WeakPolarHBondContact O-CB 3.27Å; K193-K197 PolarHBondContact O-N 2.78Å; K193-Y202 WeakPolarHBondContact CA-OH 3.45Å; K193-Y202 WeakPolarHBondContact CB-OH 3.44Å; K193-Y202 WeakPolarHBondContact CG-OH 3.42Å |
| 194 | A | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63.2 | -39.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | F151 F153 V162 I164 L190 L191 E192 K197 L198 | F151-A194 HydrophobicContact CB-CB 4.19Å; F151-A194 HydrophobicContact CD2-CB 3.45Å; F151-A194 VanDerWaalsContact CD2-CB 3.45Å; F151-A194 HydrophobicContact CE2-CB 4.18Å; F151-A194 HydrophobicContact CG-CB 4.08Å; F153-A194 HydrophobicContact CE2-CB 3.8Å; F153-A194 HydrophobicContact CZ-CB 3.96Å; V162-A194 HydrophobicContact CB-CB 4.46Å; V162-A194 HydrophobicContact CG1-CB 4.11Å; I164-A194 HydrophobicContact CD1-CB 4.14Å; I164-A194 HydrophobicContact CG1-CB 4.42Å; I164-A194 HydrophobicContact CG2-CB 3.98Å; L190-A194 PolarHBondContact O-N 3.36Å; L191-A194 PolarHBondContact O-N 3.02Å; E192-A194 PolarHBondContact O-N 2.8Å; A194-K197 WeakPolarHBondContact O-CB 3.46Å; A194-K197 PolarHBondContact O-N 3Å; A194-L198 PolarHBondContact O-N 2.99Å |
| 195 | Y | 95.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 4.1 Ų | 4.1 | 0% | 0.004 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -68.9 | -36.6 | 175.3 | -161.8 | -104 | 0 | 0 | 0 | 112.8 | W116 L117 F153 L191 E192 K193 L198 N199 L205 D216 | W116-Y195 AromaticContact CH2-CE1 3.69Å; W116-Y195 HydrophobicContact CH2-CE1 3.69Å; W116-Y195 HydrophobicContact CZ2-CE1 4.34Å; L117-Y195 HydrophobicContact CD1-CD1 3.76Å; L117-Y195 HydrophobicContact CD1-CE1 3.75Å; L117-Y195 HydrophobicContact CD1-CG 4.26Å; L117-Y195 HydrophobicContact CD2-CD1 3.57Å; L117-Y195 HydrophobicContact CD2-CE1 4.17Å; L117-Y195 HydrophobicContact CD2-CG 4.28Å; L117-Y195 HydrophobicContact CG-CD1 4.33Å; F153-Y195 AromaticContact CD1-CD2 3.76Å; F153-Y195 HydrophobicContact CD1-CD2 3.76Å; F153-Y195 HydrophobicContact CD1-CE2 4.33Å; F153-Y195 AromaticContact CE1-CD2 3.73Å; F153-Y195 HydrophobicContact CE1-CD2 3.73Å; F153-Y195 HydrophobicContact CE1-CG 4.42Å; F153-Y195 HydrophobicContact CG-CD2 4.21Å; F153-Y195 HydrophobicContact CZ-CD2 4.15Å; L191-Y195 PolarHBondContact O-N 2.84Å; E192-Y195 PolarHBondContact O-N 3.4Å; K193-Y195 VanDerWaalsContact C-N 3.28Å; K193-Y195 PolarHBondContact O-N 3.26Å; Y195-L198 HydrophobicContact CD2-CD2 4.28Å; Y195-L198 HydrophobicContact CE2-CD2 4.39Å; Y195-L198 WeakPolarHBondContact O-CB 3.45Å; Y195-L198 PolarHBondContact O-N 3.34Å; Y195-N199 WeakPolarHBondContact CE1-ND2 3.3Å; Y195-N199 PolarHBondContact O-N 3.49Å; Y195-N199 VanDerWaalsContact O-N 3.11Å; Y195-N199 PolarHBondContact O-ND2 2.78Å; Y195-L205 HydrophobicContact CD1-CD1 4.15Å; Y195-L205 HydrophobicContact CD1-CD2 3.42Å; Y195-L205 VanDerWaalsContact CD1-CD2 3.42Å; Y195-L205 HydrophobicContact CD1-CG 4.42Å; Y195-L205 HydrophobicContact CE1-CD2 3.66Å; Y195-D216 HydrophobicContact CE2-CB 3.97Å; Y195-D216 WeakPolarHBondContact CE2-OD2 3.48Å; Y195-D216 PolarHBondContact OH-OD2 3.26Å |
| 196 | A | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F61 E192 K193 N199 G200 C201 Y202 L205 | F61-A196 HydrophobicContact CZ-CB 4.31Å; E192-A196 WeakPolarHBondContact O-CB 3.34Å; E192-A196 PolarHBondContact O-N 3.2Å; K193-A196 WeakPolarHBondContact O-CB 3.35Å; K193-A196 PolarHBondContact O-N 3.11Å; A196-N199 CarbonylContact O-C 3.51Å; A196-N199 PolarHBondContact O-N 3.06Å; A196-G200 CarbonylContact O-C 3.56Å; A196-G200 PolarHBondContact O-N 3.42Å; A196-C201 PolarHBondContact O-N 2.84Å; A196-Y202 HydrophobicContact CB-CD1 3.75Å; A196-Y202 HydrophobicContact CB-CD2 4.05Å; A196-Y202 HydrophobicContact CB-CE1 3.97Å; A196-Y202 HydrophobicContact CB-CE2 4.26Å; A196-Y202 HydrophobicContact CB-CG 3.81Å; A196-L205 HydrophobicContact CB-CD1 3.81Å; A196-L205 HydrophobicContact CB-CG 4.4Å |
| 197 | K | 95.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 7.7 Ų | 7.7 | 3% | 0.03 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 174.3 | 173.9 | 177.1 | 178.4 | 178.7 | 0 | 111.8 | F37 D58 F61 V162 V163 I164 K193 A194 N199 G200 | F37-K197 HydrophobicContact CE1-CG 4Å; D58-K197 IonicContact OD1-NZ 3.65Å; D58-K197 PolarHBondContact OD1-NZ 3.39Å; D58-K197 WeakPolarHBondContact OD2-CE 3.33Å; D58-K197 IonicContact OD2-NZ 2.77Å; D58-K197 PolarHBondContact OD2-NZ 3.42Å; F61-K197 HydrophobicContact CB-CB 4.29Å; F61-K197 HydrophobicContact CB-CD 3.68Å; F61-K197 HydrophobicContact CB-CG 3.83Å; F61-K197 HydrophobicContact CD1-CB 4.19Å; F61-K197 HydrophobicContact CD2-CB 3.74Å; F61-K197 HydrophobicContact CD2-CG 3.85Å; F61-K197 HydrophobicContact CE1-CB 4.43Å; F61-K197 HydrophobicContact CE2-CB 4.02Å; F61-K197 HydrophobicContact CG-CB 3.82Å; F61-K197 HydrophobicContact CG-CD 4.15Å; F61-K197 HydrophobicContact CG-CG 3.88Å; F61-K197 HydrophobicContact CZ-CB 4.35Å; V162-K197 HydrophobicContact CG1-CD 3.98Å; V162-K197 HydrophobicContact CG1-CG 4.33Å; V163-K197 PolarHBondContact O-NZ 3Å; I164-K197 HydrophobicContact CG2-CB 4.46Å; I164-K197 HydrophobicContact CG2-CD 3.8Å; K193-K197 WeakPolarHBondContact O-CB 3.27Å; K193-K197 PolarHBondContact O-N 2.78Å; A194-K197 WeakPolarHBondContact O-CB 3.46Å; A194-K197 PolarHBondContact O-N 3Å; K197-N199 PolarHBondContact O-N 3.08Å; K197-G200 PolarHBondContact O-N 3.31Å |
| 198 | L | 93.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 9.4 Ų | 9.4 | 2% | 0.016 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.2 | -38 | 177.8 | -175.4 | 62.4 | 0 | 0 | 0 | 112.2 | F37 F153 Q155 V160 V162 A194 Y195 K425 | F37-L198 HydrophobicContact CD2-CD1 3.89Å; F37-L198 HydrophobicContact CE2-CD1 3.74Å; F37-L198 HydrophobicContact CG-CD1 4.48Å; F37-L198 HydrophobicContact CZ-CD1 4.21Å; F153-L198 HydrophobicContact CB-CD2 3.81Å; F153-L198 HydrophobicContact CD2-CD2 3.82Å; F153-L198 HydrophobicContact CG-CD2 3.95Å; Q155-L198 VanDerWaalsContact CD-CD2 3.5Å; Q155-L198 HydrophobicContact CG-CD1 4.25Å; Q155-L198 HydrophobicContact CG-CD2 3.82Å; Q155-L198 HydrophobicContact CG-CG 4.43Å; V160-L198 HydrophobicContact CG1-CD1 4.38Å; V162-L198 HydrophobicContact CG2-CB 4.38Å; V162-L198 HydrophobicContact CG2-CD1 4.02Å; A194-L198 PolarHBondContact O-N 2.99Å; Y195-L198 HydrophobicContact CD2-CD2 4.28Å; Y195-L198 HydrophobicContact CE2-CD2 4.39Å; Y195-L198 WeakPolarHBondContact O-CB 3.45Å; Y195-L198 PolarHBondContact O-N 3.34Å; L198-K425 WeakPolarHBondContact O-CE 3.43Å |
| 199 | N | 91.5 | Very high | 92.3 | Very high | 12 Ų | 12 | 10.1 Ų | 10.1 | 6% | 0.064 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -89.3 | -3.9 | 177.8 | -72.3 | -79.6 | 0 | 0 | 0 | 114.1 | Y195 A196 K197 A204 L205 R424 | Y195-N199 WeakPolarHBondContact CE1-ND2 3.3Å; Y195-N199 PolarHBondContact O-N 3.49Å; Y195-N199 VanDerWaalsContact O-N 3.11Å; Y195-N199 PolarHBondContact O-ND2 2.78Å; A196-N199 CarbonylContact O-C 3.51Å; A196-N199 PolarHBondContact O-N 3.06Å; K197-N199 PolarHBondContact O-N 3.08Å; N199-A204 HydrophobicContact CB-CB 4.15Å; N199-L205 HydrophobicContact CB-CD2 3.89Å; N199-R424 WeakPolarHBondContact OD1-CD 3.32Å |
| 200 | G | 91.3 | Very high | 92.1 | Very high | 28 Ų | 28 | 10.1 Ų | 10.1 | 29% | 0.289 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | -30.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | A196 K197 R428 | A196-G200 CarbonylContact O-C 3.56Å; A196-G200 PolarHBondContact O-N 3.42Å; K197-G200 PolarHBondContact O-N 3.31Å; G200-R428 PolarHBondContact O-NH2 2.77Å |
| 201 | C | 92.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.007 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -163.9 | 165.2 | 171.9 | 49.7 | 0 | 0 | 0 | 0 | 111.8 | S67 A196 E203 A204 R428 | S67-C201 VanDerWaalsContact O-CA 3.24Å; S67-C201 WeakPolarHBondContact O-CA 3.08Å; S67-C201 WeakPolarHBondContact O-CB 3.24Å; A196-C201 PolarHBondContact O-N 2.84Å; C201-E203 PolarHBondContact O-N 3.45Å; C201-A204 WeakPolarHBondContact O-CB 3.41Å; C201-A204 PolarHBondContact O-N 3.03Å; C201-A204 VanDerWaalsContact O-N 3.14Å; C201-R428 PolarHBondContact SG-NH2 2.79Å |
| 202 | Y | 93.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -57.1 | -43.6 | 175.3 | -78.6 | -85.1 | 0 | 0 | 0 | 113.1 | F61 S67 L68 W85 L112 P169 F177 E192 K193 A196 A204 L205 | F61-Y202 HydrophobicContact CE1-CE2 4.21Å; F61-Y202 HydrophobicContact CZ-CD2 4.33Å; F61-Y202 HydrophobicContact CZ-CE2 4.31Å; S67-Y202 WeakPolarHBondContact O-CD2 3.28Å; S67-Y202 PolarHBondContact O-N 3.44Å; L68-Y202 HydrophobicContact CD2-CD2 4.3Å; L68-Y202 WeakPolarHBondContact O-CB 3.23Å; L68-Y202 PolarHBondContact O-N 2.9Å; W85-Y202 HydrophobicContact CH2-CE2 4.02Å; L112-Y202 HydrophobicContact CD2-CD1 4.27Å; P169-Y202 HydrophobicContact CG-CE2 3.94Å; F177-Y202 HydrophobicContact CB-CE1 4.49Å; F177-Y202 AromaticContact CD2-CD1 3.42Å; F177-Y202 HydrophobicContact CD2-CD1 3.42Å; F177-Y202 VanDerWaalsContact CD2-CD1 3.42Å; F177-Y202 HydrophobicContact CD2-CD2 4.31Å; F177-Y202 AromaticContact CD2-CE1 3.33Å; F177-Y202 HydrophobicContact CD2-CE1 3.33Å; F177-Y202 HydrophobicContact CD2-CE2 4.24Å; F177-Y202 AromaticContact CD2-CG 3.91Å; F177-Y202 HydrophobicContact CD2-CG 3.91Å; F177-Y202 AromaticContact CD2-CZ 3.75Å; F177-Y202 AromaticContact CE2-CD1 3.38Å; F177-Y202 HydrophobicContact CE2-CD1 3.38Å; F177-Y202 AromaticContact CE2-CD2 3.66Å; F177-Y202 HydrophobicContact CE2-CD2 3.66Å; F177-Y202 AromaticContact CE2-CE1 3.68Å; F177-Y202 HydrophobicContact CE2-CE1 3.68Å; F177-Y202 AromaticContact CE2-CE2 3.93Å; F177-Y202 HydrophobicContact CE2-CE2 3.93Å; F177-Y202 AromaticContact CE2-CG 3.35Å; F177-Y202 HydrophobicContact CE2-CG 3.35Å; F177-Y202 AromaticContact CE2-CZ 3.92Å; F177-Y202 HydrophobicContact CG-CD1 4.04Å; F177-Y202 HydrophobicContact CG-CE1 4.09Å; F177-Y202 AromaticContact CZ-CD1 4Å; F177-Y202 HydrophobicContact CZ-CD1 4Å; F177-Y202 HydrophobicContact CZ-CD2 4.37Å; F177-Y202 AromaticContact CZ-CG 3.81Å; F177-Y202 HydrophobicContact CZ-CG 3.81Å; E192-Y202 HydrophobicContact CG-CE1 4.21Å; E192-Y202 WeakPolarHBondContact OE2-CE1 3.31Å; K193-Y202 WeakPolarHBondContact CA-OH 3.45Å; K193-Y202 WeakPolarHBondContact CB-OH 3.44Å; K193-Y202 WeakPolarHBondContact CG-OH 3.42Å; A196-Y202 HydrophobicContact CB-CD1 3.75Å; A196-Y202 HydrophobicContact CB-CD2 4.05Å; A196-Y202 HydrophobicContact CB-CE1 3.97Å; A196-Y202 HydrophobicContact CB-CE2 4.26Å; A196-Y202 HydrophobicContact CB-CG 3.81Å; Y202-A204 PolarHBondContact O-N 2.86Å; Y202-A204 VanDerWaalsContact O-N 3.08Å; Y202-L205 VanDerWaalsContact O-CB 3.28Å; Y202-L205 WeakPolarHBondContact O-CB 3.47Å; Y202-L205 WeakPolarHBondContact O-CG 3.27Å; Y202-L205 PolarHBondContact O-N 3.35Å |
| 203 | E | 92.3 | Very high | 91.3 | Very high | 17 Ų | 17 | 10.5 Ų | 10.5 | 8% | 0.079 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -60.6 | -24.1 | 179.6 | -166.3 | 174.8 | 170.1 | 0 | 0 | 113.6 | L68 G69 F70 N71 E72 L73 C201 L205 S206 | L68-E203 WeakPolarHBondContact O-CB 3.42Å; L68-E203 PolarHBondContact O-N 2.76Å; G69-E203 WeakPolarHBondContact CA-OE2 3.45Å; F70-E203 HydrophobicContact CD1-CB 4.43Å; F70-E203 HydrophobicContact CE1-CB 4.2Å; F70-E203 HydrophobicContact CE1-CG 4.27Å; F70-E203 HydrophobicContact CZ-CG 4.44Å; F70-E203 PolarHBondContact N-OE2 3.43Å; N71-E203 WeakPolarHBondContact CA-OE1 3.21Å; N71-E203 VanDerWaalsContact CB-OE1 3.31Å; N71-E203 WeakPolarHBondContact CB-OE1 3.33Å; N71-E203 PolarHBondContact N-OE1 2.99Å; N71-E203 PolarHBondContact N-OE2 2.99Å; E72-E203 PolarHBondContact N-OE1 2.78Å; E72-E203 PolarHBondContact N-OE2 3.35Å; L73-E203 HydrophobicContact CB-CB 4.19Å; L73-E203 HydrophobicContact CB-CG 4.43Å; L73-E203 HydrophobicContact CD1-CB 4.28Å; L73-E203 PolarHBondContact N-OE2 2.94Å; C201-E203 PolarHBondContact O-N 3.45Å; E203-L205 PolarHBondContact O-N 3.45Å; E203-S206 WeakPolarHBondContact O-CB 3.06Å; E203-S206 PolarHBondContact O-N 3.05Å; E203-S206 VanDerWaalsContact O-N 3.17Å |
| 204 | A | 90.3 | Very high | 91 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 2% | 0.017 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -68.8 | -17 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N199 C201 Y202 R424 | N199-A204 HydrophobicContact CB-CB 4.15Å; C201-A204 WeakPolarHBondContact O-CB 3.41Å; C201-A204 PolarHBondContact O-N 3.03Å; C201-A204 VanDerWaalsContact O-N 3.14Å; Y202-A204 PolarHBondContact O-N 2.86Å; Y202-A204 VanDerWaalsContact O-N 3.08Å; A204-R424 PolarHBondContact O-NH1 3.26Å |
| 205 | L | 90.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -82.8 | -16.3 | 176 | -51.8 | -174.1 | 0 | 0 | 0 | 112.7 | L112 D114 W116 L117 E192 Y195 A196 N199 Y202 E203 G207 | L112-L205 HydrophobicContact CD2-CB 4.31Å; D114-L205 HydrophobicContact CB-CB 4.09Å; W116-L205 PolarHBondContact NE1-O 3.38Å; L117-L205 HydrophobicContact CD2-CD1 4Å; E192-L205 HydrophobicContact CG-CD1 4.34Å; Y195-L205 HydrophobicContact CD1-CD1 4.15Å; Y195-L205 HydrophobicContact CD1-CD2 3.42Å; Y195-L205 VanDerWaalsContact CD1-CD2 3.42Å; Y195-L205 HydrophobicContact CD1-CG 4.42Å; Y195-L205 HydrophobicContact CE1-CD2 3.66Å; A196-L205 HydrophobicContact CB-CD1 3.81Å; A196-L205 HydrophobicContact CB-CG 4.4Å; N199-L205 HydrophobicContact CB-CD2 3.89Å; Y202-L205 VanDerWaalsContact O-CB 3.28Å; Y202-L205 WeakPolarHBondContact O-CB 3.47Å; Y202-L205 WeakPolarHBondContact O-CG 3.27Å; Y202-L205 PolarHBondContact O-N 3.35Å; E203-L205 PolarHBondContact O-N 3.45Å; L205-G207 PolarHBondContact O-N 3.43Å |
| 206 | S | 88.3 | Confident | 90.7 | Very high | 46 Ų | 46 | 10.5 Ų | 10.5 | 32% | 0.322 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -63.9 | 122 | -179.8 | -168.5 | 0 | 0 | 0 | 0 | 111 | E203 R427 | E203-S206 WeakPolarHBondContact O-CB 3.06Å; E203-S206 PolarHBondContact O-N 3.05Å; E203-S206 VanDerWaalsContact O-N 3.17Å; S206-R427 PolarHBondContact O-NH1 3.12Å |
| 207 | G | 82.6 | Confident | 90.6 | Very high | 38 Ų | 38 | 10.5 Ų | 10.5 | 39% | 0.392 | 9% | 0.085 | S | C | . | . | S | Bend | trans | 72.8 | 119.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | G113 L205 R424 R427 | G113-G207 PolarHBondContact O-N 2.8Å; L205-G207 PolarHBondContact O-N 3.43Å; G207-R424 PolarHBondContact O-NH1 2.7Å; G207-R424 PolarHBondContact O-NH2 3.13Å; G207-R427 PolarHBondContact O-NH1 3.32Å |
| 208 | G | 84.3 | Confident | 90.2 | Very high | 37 Ų | 37 | 10.3 Ų | 10.3 | 38% | 0.381 | 8% | 0.084 | S | C | . | . | trans | -174.6 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | W116 E212 | W116-G208 WeakPolarHBondContact CB-O 3.28Å; W116-G208 VanDerWaalsContact CD1-N 3.32Å; G208-E212 WeakPolarHBondContact CA-OE1 3.43Å | ||
| 209 | S | 86.2 | Confident | 89.9 | Confident | 14 Ų | 14 | 10.5 Ų | 10.5 | 10% | 0.098 | 9% | 0.086 | C | C | . | . | trans | -103.2 | 145.7 | 170.7 | 167.5 | 0 | 0 | 0 | 0 | 110.3 | S211 E212 E349 | S209-S211 WeakPolarHBondContact CB-OG 3.4Å; S209-S211 PolarHBondContact O-N 3.38Å; S209-S211 PolarHBondContact OG-N 3.47Å; S209-S211 PolarHBondContact OG-OG 3.28Å; S209-E212 PolarHBondContact N-OE1 3.23Å; S209-E212 VanDerWaalsContact N-OE1 3.09Å; S209-E212 WeakPolarHBondContact O-CB 3.32Å; S209-E212 PolarHBondContact O-N 2.93Å; S209-E349 VanDerWaalsContact OG-CD 3.28Å; S209-E349 PolarHBondContact OG-OE1 2.83Å; S209-E349 PolarHBondContact OG-OE2 3.13Å; S209-E349 VanDerWaalsContact OG-OE2 3.07Å | ||
| 210 | T | 89.3 | Confident | 89.7 | Confident | 3 Ų | 3 | 9.9 Ų | 9.9 | 2% | 0.018 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.5 | -32.1 | 179.2 | -41.6 | 0 | 0 | 0 | 0 | 111.6 | A119 A120 E212 G213 F214 A273 E349 | A119-T210 HydrophobicContact CB-CG2 3.98Å; A120-T210 HydrophobicContact CB-CG2 4.05Å; T210-E212 PolarHBondContact O-N 3.39Å; T210-G213 PolarHBondContact O-N 2.95Å; T210-F214 HydrophobicContact CG2-CD1 4.35Å; T210-F214 HydrophobicContact CG2-CD2 4.3Å; T210-F214 HydrophobicContact CG2-CE1 3.72Å; T210-F214 HydrophobicContact CG2-CE2 3.65Å; T210-F214 HydrophobicContact CG2-CZ 3.32Å; T210-F214 WeakPolarHBondContact O-CG 3.49Å; T210-F214 PolarHBondContact O-N 3.5Å; T210-A273 VanDerWaalsContact OG1-CB 3.29Å; T210-A273 WeakPolarHBondContact OG1-CB 3.42Å; T210-E349 WeakPolarHBondContact CB-OE2 3.47Å; T210-E349 PolarHBondContact N-OE2 3.41Å |
| 211 | S | 89.1 | Confident | 89.4 | Confident | 4 Ų | 4 | 8.9 Ų | 8.9 | 3% | 0.028 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -49.3 | -39.4 | 171.9 | 61 | 0 | 0 | 0 | 0 | 113.4 | S209 G213 F214 E215 E349 | S209-S211 WeakPolarHBondContact CB-OG 3.4Å; S209-S211 PolarHBondContact O-N 3.38Å; S209-S211 PolarHBondContact OG-N 3.47Å; S209-S211 PolarHBondContact OG-OG 3.28Å; S211-G213 VanDerWaalsContact C-N 3.34Å; S211-G213 PolarHBondContact O-N 3.43Å; S211-F214 PolarHBondContact O-N 3.49Å; S211-E215 WeakPolarHBondContact O-CB 3.18Å; S211-E215 WeakPolarHBondContact O-CG 3.26Å; S211-E215 PolarHBondContact O-N 2.93Å; S211-E349 WeakPolarHBondContact CB-OE2 3.41Å; S211-E349 PolarHBondContact N-OE2 2.92Å |
| 212 | E | 91 | Very high | 89.1 | Confident | 7 Ų | 7 | 8.8 Ų | 8.8 | 3% | 0.033 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 179.4 | -60.1 | -178.4 | -129 | 0 | 0 | 111.3 | W116 G208 S209 T210 D216 R424 R476 | W116-E212 HydrophobicContact CE3-CB 4.23Å; W116-E212 HydrophobicContact CH2-CB 4.24Å; W116-E212 HydrophobicContact CZ3-CB 3.65Å; G208-E212 WeakPolarHBondContact CA-OE1 3.43Å; S209-E212 PolarHBondContact N-OE1 3.23Å; S209-E212 VanDerWaalsContact N-OE1 3.09Å; S209-E212 WeakPolarHBondContact O-CB 3.32Å; S209-E212 PolarHBondContact O-N 2.93Å; T210-E212 PolarHBondContact O-N 3.39Å; E212-D216 WeakPolarHBondContact O-CB 3.49Å; E212-D216 PolarHBondContact O-N 3.02Å; E212-D216 VanDerWaalsContact O-N 3.07Å; E212-R424 IonicContact OE1-NH2 3.09Å; E212-R424 PolarHBondContact OE1-NH2 2.81Å; E212-R424 IonicContact OE2-CZ 3.65Å; E212-R424 VanDerWaalsContact OE2-CZ 3.23Å; E212-R424 IonicContact OE2-NE 3.79Å; E212-R424 PolarHBondContact OE2-NE 2.66Å; E212-R424 IonicContact OE2-NH2 3.88Å; E212-R424 PolarHBondContact OE2-NH2 2.86Å; E212-R476 HydrophobicContact CG-CB 3.87Å; E212-R476 PolarHBondContact O-NH2 2.76Å |
| 213 | G | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.9 | -42.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | T210 S211 E215 D216 F217 | T210-G213 PolarHBondContact O-N 2.95Å; S211-G213 VanDerWaalsContact C-N 3.34Å; S211-G213 PolarHBondContact O-N 3.43Å; G213-E215 PolarHBondContact O-N 2.87Å; G213-D216 PolarHBondContact O-N 2.97Å; G213-F217 WeakPolarHBondContact O-CB 3.44Å; G213-F217 WeakPolarHBondContact O-CD2 3.49Å; G213-F217 WeakPolarHBondContact O-CG 3.34Å; G213-F217 PolarHBondContact O-N 3.35Å |
| 214 | F | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 177.4 | -63.5 | -31.9 | 0 | 0 | 0 | 112.5 | A120 T210 S211 F217 T218 L247 L248 E349 C351 | A120-F214 HydrophobicContact CB-CD1 3.78Å; A120-F214 HydrophobicContact CB-CE1 3.96Å; T210-F214 HydrophobicContact CG2-CD1 4.35Å; T210-F214 HydrophobicContact CG2-CD2 4.3Å; T210-F214 HydrophobicContact CG2-CE1 3.72Å; T210-F214 HydrophobicContact CG2-CE2 3.65Å; T210-F214 HydrophobicContact CG2-CZ 3.32Å; T210-F214 WeakPolarHBondContact O-CG 3.49Å; T210-F214 PolarHBondContact O-N 3.5Å; S211-F214 PolarHBondContact O-N 3.49Å; F214-F217 PolarHBondContact O-N 3.16Å; F214-T218 WeakPolarHBondContact O-CB 3.29Å; F214-T218 WeakPolarHBondContact O-CG2 3.41Å; F214-T218 PolarHBondContact O-N 3.4Å; F214-T218 PolarHBondContact O-OG1 3.19Å; F214-L247 HydrophobicContact CB-CB 4.47Å; F214-L247 HydrophobicContact CB-CD1 4.28Å; F214-L247 HydrophobicContact CD1-CB 3.43Å; F214-L247 VanDerWaalsContact CD1-CB 3.43Å; F214-L247 HydrophobicContact CD1-CD1 3.57Å; F214-L247 HydrophobicContact CD1-CG 4.16Å; F214-L247 HydrophobicContact CD2-CB 4.34Å; F214-L247 HydrophobicContact CE1-CB 3.52Å; F214-L247 HydrophobicContact CE1-CD1 4.25Å; F214-L247 HydrophobicContact CE2-CB 4.43Å; F214-L247 HydrophobicContact CG-CB 3.86Å; F214-L247 HydrophobicContact CG-CD1 4.23Å; F214-L247 HydrophobicContact CZ-CB 4.05Å; F214-L248 VanDerWaalsContact CZ-C 3.46Å; F214-E349 HydrophobicContact CE2-CB 4.46Å; F214-C351 HydrophobicContact CB-CB 3.44Å; F214-C351 VanDerWaalsContact CB-CB 3.44Å; F214-C351 HydrophobicContact CD2-CB 3.84Å; F214-C351 HydrophobicContact CG-CB 3.87Å |
| 215 | E | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.4 | -45 | 176 | -77.1 | 154.4 | -162.4 | 0 | 0 | 111.5 | W154 S211 G213 F217 T218 G219 T222 M419 R476 | W154-E215 HydrophobicContact CZ3-CB 4.5Å; S211-E215 WeakPolarHBondContact O-CB 3.18Å; S211-E215 WeakPolarHBondContact O-CG 3.26Å; S211-E215 PolarHBondContact O-N 2.93Å; G213-E215 PolarHBondContact O-N 2.87Å; E215-F217 VanDerWaalsContact C-N 3.25Å; E215-F217 PolarHBondContact O-N 2.92Å; E215-T218 PolarHBondContact O-N 3.47Å; E215-G219 WeakPolarHBondContact O-CA 3.3Å; E215-G219 PolarHBondContact O-N 3.39Å; E215-T222 WeakPolarHBondContact OE1-CB 3.31Å; E215-T222 PolarHBondContact OE1-OG1 3.4Å; E215-M419 HydrophobicContact CB-CE 4.34Å; E215-M419 HydrophobicContact CG-CE 4.19Å; E215-M419 WeakPolarHBondContact OE2-CE 3.28Å; E215-R476 VanDerWaalsContact CB-NH2 3.32Å; E215-R476 IonicContact OE2-CZ 2.67Å; E215-R476 IonicContact OE2-NE 2.62Å; E215-R476 IonicContact OE2-NH2 3.46Å; E215-R476 PolarHBondContact OE2-NH2 3.17Å |
| 216 | D | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.4 | -22 | -177.6 | -68.6 | 5.8 | 0 | 0 | 0 | 112.9 | F153 W154 Q155 Y195 E212 G213 R476 | F153-D216 CarbonylContact C-O 3.4Å; F153-D216 WeakPolarHBondContact CA-O 3.26Å; W154-D216 PolarHBondContact N-O 2.55Å; W154-D216 WeakPolarHBondContact O-CA 3.28Å; Q155-D216 PolarHBondContact NE2-OD2 3.07Å; Y195-D216 HydrophobicContact CE2-CB 3.97Å; Y195-D216 WeakPolarHBondContact CE2-OD2 3.48Å; Y195-D216 PolarHBondContact OH-OD2 3.26Å; E212-D216 WeakPolarHBondContact O-CB 3.49Å; E212-D216 PolarHBondContact O-N 3.02Å; E212-D216 VanDerWaalsContact O-N 3.07Å; G213-D216 PolarHBondContact O-N 2.97Å; D216-R476 IonicContact OD1-CZ 3.02Å; D216-R476 VanDerWaalsContact OD1-CZ 3.22Å; D216-R476 IonicContact OD1-NH1 3.59Å; D216-R476 PolarHBondContact OD1-NH1 3.44Å; D216-R476 IonicContact OD1-NH2 2.76Å; D216-R476 PolarHBondContact OD1-NH2 2.76Å; D216-R476 IonicContact OD2-CZ 2.73Å; D216-R476 IonicContact OD2-NH1 3Å; D216-R476 PolarHBondContact OD2-NH1 2.82Å |
| 217 | F | 91.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -91.2 | -18.7 | 175.9 | -61.5 | -24.5 | 0 | 0 | 0 | 113.9 | L117 A120 I121 L124 V134 F153 G213 F214 E215 | L117-F217 HydrophobicContact CD1-CE1 4.37Å; L117-F217 HydrophobicContact CD1-CE2 4.2Å; L117-F217 HydrophobicContact CD1-CZ 3.54Å; A120-F217 HydrophobicContact CB-CD2 4.06Å; A120-F217 HydrophobicContact CB-CE2 3.69Å; I121-F217 HydrophobicContact CB-CE2 4.36Å; I121-F217 HydrophobicContact CD1-CZ 4.37Å; I121-F217 HydrophobicContact CG1-CE2 3.54Å; I121-F217 HydrophobicContact CG1-CZ 3.54Å; L124-F217 HydrophobicContact CD1-CB 4.19Å; L124-F217 HydrophobicContact CD2-CB 4.15Å; L124-F217 HydrophobicContact CD2-CD2 4.14Å; L124-F217 HydrophobicContact CD2-CG 4.08Å; V134-F217 HydrophobicContact CG1-CD1 4.05Å; V134-F217 HydrophobicContact CG1-CE1 4.49Å; V134-F217 HydrophobicContact CG2-CB 3.9Å; V134-F217 HydrophobicContact CG2-CD1 4.24Å; V134-F217 HydrophobicContact CG2-CG 4.37Å; V134-F217 WeakPolarHBondContact CG2-O 3.47Å; F153-F217 HydrophobicContact CD1-CD1 4.05Å; F153-F217 AromaticContact CD1-CE1 3.92Å; F153-F217 HydrophobicContact CD1-CE1 3.92Å; F153-F217 HydrophobicContact CE1-CD1 4.27Å; F153-F217 AromaticContact CE1-CE1 3.78Å; F153-F217 HydrophobicContact CE1-CE1 3.78Å; G213-F217 WeakPolarHBondContact O-CB 3.44Å; G213-F217 WeakPolarHBondContact O-CD2 3.49Å; G213-F217 WeakPolarHBondContact O-CG 3.34Å; G213-F217 PolarHBondContact O-N 3.35Å; F214-F217 PolarHBondContact O-N 3.16Å; E215-F217 VanDerWaalsContact C-N 3.25Å; E215-F217 PolarHBondContact O-N 2.92Å |
| 218 | T | 87.9 | Confident | 88.4 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.018 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -125.8 | -22.2 | -170.7 | 65.7 | 0 | 0 | 0 | 0 | 114.6 | L130 F214 E215 G220 L247 C351 L353 | L130-T218 HydrophobicContact CD1-CG2 4.05Å; F214-T218 WeakPolarHBondContact O-CB 3.29Å; F214-T218 WeakPolarHBondContact O-CG2 3.41Å; F214-T218 PolarHBondContact O-N 3.4Å; F214-T218 PolarHBondContact O-OG1 3.19Å; E215-T218 PolarHBondContact O-N 3.47Å; T218-G220 PolarHBondContact O-N 2.94Å; T218-G220 WeakPolarHBondContact OG1-CA 3.33Å; T218-G220 PolarHBondContact OG1-N 2.93Å; T218-L247 HydrophobicContact CG2-CD1 3.47Å; T218-L247 VanDerWaalsContact CG2-CD1 3.47Å; T218-L247 HydrophobicContact CG2-CG 4.18Å; T218-C351 PolarHBondContact OG1-SG 3Å; T218-L353 HydrophobicContact CG2-CD2 3.77Å |
| 219 | G | 87.3 | Confident | 88.5 | Confident | 6 Ų | 6 | 26 Ų | 26 | 6% | 0.062 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 64.9 | 9.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E215 T354 R507 | E215-G219 WeakPolarHBondContact O-CA 3.3Å; E215-G219 PolarHBondContact O-N 3.39Å; G219-T354 WeakPolarHBondContact O-CG2 3.42Å; G219-R507 PolarHBondContact O-NH1 3.16Å |
| 220 | G | 86.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -69.7 | -178.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T218 N352 R507 | T218-G220 PolarHBondContact O-N 2.94Å; T218-G220 WeakPolarHBondContact OG1-CA 3.33Å; T218-G220 PolarHBondContact OG1-N 2.93Å; G220-N352 VanDerWaalsContact CA-O 3.22Å; G220-N352 WeakPolarHBondContact CA-O 3.43Å; G220-R507 PolarHBondContact O-NH1 2.99Å; G220-R507 PolarHBondContact O-NH2 3.41Å | ||
| 221 | V | 84.9 | Confident | 88 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 4% | 0.036 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132 | 176.7 | 62.2 | 0 | 0 | 0 | 0 | 109.8 | C351 N352 L415 A417 F509 | V221-C351 WeakPolarHBondContact O-CA 3.43Å; V221-N352 HydrophobicContact CG1-CB 4.3Å; V221-N352 PolarHBondContact N-O 3.22Å; V221-N352 PolarHBondContact O-N 2.8Å; V221-L415 HydrophobicContact CB-CD2 4.03Å; V221-L415 HydrophobicContact CG1-CD2 3.43Å; V221-L415 VanDerWaalsContact CG1-CD2 3.43Å; V221-L415 HydrophobicContact CG2-CD2 3.4Å; V221-L415 HydrophobicContact CG2-CG 4.18Å; V221-A417 HydrophobicContact CG2-CB 3.75Å; V221-F509 HydrophobicContact CB-CD2 4.01Å; V221-F509 HydrophobicContact CB-CE1 4.35Å; V221-F509 HydrophobicContact CB-CE2 3.48Å; V221-F509 VanDerWaalsContact CB-CE2 3.48Å; V221-F509 HydrophobicContact CB-CZ 3.68Å; V221-F509 HydrophobicContact CG1-CD1 4.32Å; V221-F509 HydrophobicContact CG1-CD2 3.98Å; V221-F509 HydrophobicContact CG1-CE1 4.27Å; V221-F509 HydrophobicContact CG1-CE2 3.91Å; V221-F509 HydrophobicContact CG1-CG 4.19Å; V221-F509 HydrophobicContact CG1-CZ 4.07Å; V221-F509 HydrophobicContact CG2-CD2 3.94Å; V221-F509 HydrophobicContact CG2-CE2 3.54Å; V221-F509 HydrophobicContact CG2-CZ 4.25Å |
| 222 | T | 87.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132.9 | -176.4 | -45.5 | 0 | 0 | 0 | 0 | 110.9 | E215 E349 I350 S479 | E215-T222 WeakPolarHBondContact OE1-CB 3.31Å; E215-T222 PolarHBondContact OE1-OG1 3.4Å; T222-E349 HydrophobicContact CG2-CB 4.08Å; T222-I350 CarbonylContact C-O 3.58Å; T222-I350 WeakPolarHBondContact CA-O 3.43Å; T222-S479 WeakPolarHBondContact O-CB 3.43Å; T222-S479 PolarHBondContact O-OG 3.25Å |
| 223 | E | 85.6 | Confident | 87.3 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 9% | 0.089 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.9 | 167.9 | -67.2 | -175.1 | -101.2 | 0 | 0 | 109.5 | F225 E349 I350 N352 L415 R481 | E223-F225 HydrophobicContact CB-CE2 3.91Å; E223-F225 HydrophobicContact CB-CZ 4.37Å; E223-E349 WeakPolarHBondContact O-CA 3.44Å; E223-I350 PolarHBondContact N-O 3.4Å; E223-I350 PolarHBondContact O-N 2.88Å; E223-N352 PolarHBondContact OE1-ND2 2.99Å; E223-L415 HydrophobicContact CG-CD1 4.05Å; E223-L415 HydrophobicContact CG-CD2 4.17Å; E223-R481 VanDerWaalsContact CD-NH2 3.33Å; E223-R481 IonicContact OE1-CZ 3.6Å; E223-R481 IonicContact OE1-NE 3.47Å; E223-R481 IonicContact OE1-NH2 3.49Å; E223-R481 PolarHBondContact OE1-NH2 2.9Å; E223-R481 IonicContact OE2-CZ 3.73Å; E223-R481 IonicContact OE2-NE 3.59Å; E223-R481 PolarHBondContact OE2-NE 2.65Å; E223-R481 IonicContact OE2-NH2 3.44Å; E223-R481 PolarHBondContact OE2-NH2 3.04Å |
| 224 | M | 86.1 | Confident | 87 | Confident | 65 Ų | 65 | 38.3 Ų | 38.3 | 32% | 0.32 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133 | 178.3 | -58.2 | -176.4 | -150.2 | 0 | 0 | 110.1 | L348 E349 L475 | M224-L348 CarbonylContact C-O 3.54Å; M224-L348 WeakPolarHBondContact CA-O 3.38Å; M224-E349 HydrophobicContact CG-CG 4.3Å; M224-L475 HydrophobicContact CE-CD1 3.68Å; M224-L475 HydrophobicContact SD-CD1 3.83Å |
| 225 | F | 86.9 | Confident | 86.8 | Confident | 38 Ų | 38 | 38.7 Ų | 38.7 | 17% | 0.167 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.7 | 176.4 | -64.2 | -87.5 | 0 | 0 | 0 | 110 | E223 L227 P231 L234 R347 L348 I350 | E223-F225 HydrophobicContact CB-CE2 3.91Å; E223-F225 HydrophobicContact CB-CZ 4.37Å; F225-L227 PolarHBondContact O-N 3.1Å; F225-P231 HydrophobicContact CD1-CG 4.33Å; F225-P231 HydrophobicContact CE1-CG 4.4Å; F225-L234 HydrophobicContact CD1-CD1 4.2Å; F225-L234 HydrophobicContact CD2-CD1 4.45Å; F225-L234 HydrophobicContact CG-CD1 4.13Å; F225-R347 WeakPolarHBondContact O-CA 3.07Å; F225-L348 HydrophobicContact CB-CB 4.38Å; F225-L348 HydrophobicContact CD2-CD2 4.47Å; F225-L348 PolarHBondContact N-O 2.98Å; F225-L348 PolarHBondContact O-N 2.99Å; F225-I350 HydrophobicContact CD2-CD1 4.12Å; F225-I350 HydrophobicContact CD2-CG1 4.33Å; F225-I350 HydrophobicContact CE2-CD1 3.81Å; F225-I350 HydrophobicContact CE2-CG1 4.23Å |
| 226 | E | 88 | Confident | 86.4 | Confident | 98 Ų | 98 | 42 Ų | 42 | 46% | 0.458 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 116.5 | 168.3 | -169.6 | -175.3 | -168.6 | 0 | 0 | 109.5 | K228 N229 A230 | E226-K228 VanDerWaalsContact C-N 3.27Å; E226-K228 HydrophobicContact CG-CB 4.39Å; E226-K228 PolarHBondContact O-N 3.42Å; E226-N229 CarbonylContact O-C 3.51Å; E226-N229 VanDerWaalsContact O-C 3.3Å; E226-N229 PolarHBondContact O-N 3.35Å; E226-N229 VanDerWaalsContact O-N 3.11Å; E226-N229 PolarHBondContact OE2-ND2 3.39Å; E226-A230 PolarHBondContact O-N 2.66Å; E226-A230 VanDerWaalsContact O-N 3.15Å |
| 227 | L | 89.7 | Confident | 85.9 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -69.7 | -24.1 | -171.8 | -64.6 | -180 | 0 | 0 | 0 | 113.4 | F225 N229 A230 L234 F341 L342 F345 T346 L348 | F225-L227 PolarHBondContact O-N 3.1Å; L227-N229 VanDerWaalsContact C-N 3.26Å; L227-N229 PolarHBondContact O-N 3.04Å; L227-A230 WeakPolarHBondContact O-CB 3.47Å; L227-A230 PolarHBondContact O-N 3.08Å; L227-L234 HydrophobicContact CD2-CD2 3.61Å; L227-F341 HydrophobicContact CD1-CD1 4.32Å; L227-F341 HydrophobicContact CD1-CE1 3.69Å; L227-F341 HydrophobicContact CD1-CE2 4.23Å; L227-F341 HydrophobicContact CD1-CZ 3.64Å; L227-F341 HydrophobicContact CD2-CE1 3.92Å; L227-F341 HydrophobicContact CD2-CZ 4.42Å; L227-F341 HydrophobicContact CG-CE1 4.48Å; L227-L342 HydrophobicContact CB-CD2 4.19Å; L227-L342 HydrophobicContact CD2-CD2 4Å; L227-F345 HydrophobicContact CD1-CB 3.43Å; L227-F345 VanDerWaalsContact CD1-CB 3.43Å; L227-T346 PolarHBondContact N-O 2.91Å; L227-L348 HydrophobicContact CD2-CB 3.78Å; L227-L348 HydrophobicContact CD2-CD2 4.5Å; L227-L348 HydrophobicContact CG-CB 4.29Å |
| 228 | K | 86.9 | Confident | 85.6 | Confident | 153 Ų | 153 | 44.2 Ų | 44.2 | 67% | 0.665 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -64.9 | -32.4 | 173.3 | -67.3 | -179.7 | -177.5 | 168.7 | 0 | 112.5 | E226 | E226-K228 VanDerWaalsContact C-N 3.27Å; E226-K228 HydrophobicContact CG-CB 4.39Å; E226-K228 PolarHBondContact O-N 3.42Å |
| 229 | N | 85.8 | Confident | 85.5 | Confident | 124 Ų | 124 | 45.5 Ų | 45.5 | 66% | 0.663 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -115.5 | 32.9 | -179.2 | -63.6 | -42 | 0 | 0 | 0 | 110.6 | E226 L227 | E226-N229 CarbonylContact O-C 3.51Å; E226-N229 VanDerWaalsContact O-C 3.3Å; E226-N229 PolarHBondContact O-N 3.35Å; E226-N229 VanDerWaalsContact O-N 3.11Å; E226-N229 PolarHBondContact OE2-ND2 3.39Å; L227-N229 VanDerWaalsContact C-N 3.26Å; L227-N229 PolarHBondContact O-N 3.04Å |
| 230 | A | 82.9 | Confident | 85.1 | Confident | 29 Ų | 29 | 50 Ų | 50 | 24% | 0.24 | 27% | 0.265 | C | S | . | . | trans | -62.1 | 140.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E226 L227 L234 L342 | E226-A230 PolarHBondContact O-N 2.66Å; E226-A230 VanDerWaalsContact O-N 3.15Å; L227-A230 WeakPolarHBondContact O-CB 3.47Å; L227-A230 PolarHBondContact O-N 3.08Å; A230-L234 HydrophobicContact CB-CB 4.45Å; A230-L234 HydrophobicContact CB-CD2 3.54Å; A230-L342 HydrophobicContact CB-CD2 4.06Å | ||
| 231 | P | 82.6 | Confident | 84.8 | Confident | 56 Ų | 56 | 50.3 Ų | 50.3 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | trans | -64.1 | 148.3 | 171.3 | 25.4 | -30 | 0 | 0 | 0 | 110.5 | F225 D233 L234 I237 | F225-P231 HydrophobicContact CD1-CG 4.33Å; F225-P231 HydrophobicContact CE1-CG 4.4Å; P231-D233 PolarHBondContact O-N 3.07Å; P231-D233 VanDerWaalsContact O-N 3.13Å; P231-L234 HydrophobicContact CG-CB 4.04Å; P231-L234 HydrophobicContact CG-CD1 4.46Å; P231-L234 WeakPolarHBondContact O-CB 2.71Å; P231-L234 PolarHBondContact O-N 3.24Å; P231-I237 HydrophobicContact CG-CD1 4.39Å | ||
| 232 | S | 82.1 | Confident | 84.7 | Confident | 134 Ų | 134 | 52 Ų | 52 | 94% | 0.937 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.9 | -178.2 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 233 | D | 82.2 | Confident | 84.2 | Confident | 67 Ų | 67 | 59.1 Ų | 59.1 | 36% | 0.358 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 5.7 | 178.5 | -162.5 | 45.4 | 0 | 0 | 0 | 113.8 | P231 F235 N236 I237 R240 | P231-D233 PolarHBondContact O-N 3.07Å; P231-D233 VanDerWaalsContact O-N 3.13Å; D233-F235 VanDerWaalsContact C-N 3.28Å; D233-F235 PolarHBondContact O-N 3.17Å; D233-F235 VanDerWaalsContact O-N 3.16Å; D233-N236 PolarHBondContact O-N 3.03Å; D233-N236 VanDerWaalsContact OD1-CB 3.32Å; D233-N236 WeakPolarHBondContact OD1-CB 3.29Å; D233-N236 PolarHBondContact OD1-ND2 2.89Å; D233-I237 PolarHBondContact O-N 3.32Å; D233-I237 VanDerWaalsContact O-N 3.08Å; D233-R240 IonicContact OD2-NH2 3.08Å; D233-R240 PolarHBondContact OD2-NH2 3.31Å |
| 234 | L | 86.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56 | -38.6 | -171.9 | 179.1 | 64.6 | 0 | 0 | 0 | 113.3 | F225 L227 A230 P231 N236 I237 I238 Y338 L342 L348 | F225-L234 HydrophobicContact CD1-CD1 4.2Å; F225-L234 HydrophobicContact CD2-CD1 4.45Å; F225-L234 HydrophobicContact CG-CD1 4.13Å; L227-L234 HydrophobicContact CD2-CD2 3.61Å; A230-L234 HydrophobicContact CB-CB 4.45Å; A230-L234 HydrophobicContact CB-CD2 3.54Å; P231-L234 HydrophobicContact CG-CB 4.04Å; P231-L234 HydrophobicContact CG-CD1 4.46Å; P231-L234 WeakPolarHBondContact O-CB 2.71Å; P231-L234 PolarHBondContact O-N 3.24Å; L234-N236 VanDerWaalsContact C-N 3.31Å; L234-N236 PolarHBondContact O-N 3.23Å; L234-I237 WeakPolarHBondContact O-CB 3.35Å; L234-I237 PolarHBondContact O-N 3.49Å; L234-I237 VanDerWaalsContact O-N 3.1Å; L234-I238 HydrophobicContact CD1-CD1 4.42Å; L234-I238 HydrophobicContact CD1-CG1 4.33Å; L234-I238 HydrophobicContact CG-CD1 4.01Å; L234-I238 HydrophobicContact CG-CG1 4.38Å; L234-I238 WeakPolarHBondContact O-CG1 3.4Å; L234-I238 PolarHBondContact O-N 2.84Å; L234-Y338 WeakPolarHBondContact CB-OH 3.32Å; L234-L342 HydrophobicContact CD2-CD2 4.3Å; L234-L348 HydrophobicContact CD1-CD2 3.94Å; L234-L348 HydrophobicContact CD2-CD2 4.39Å; L234-L348 HydrophobicContact CG-CD2 4.47Å |
| 235 | F | 87.8 | Confident | 83.1 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.035 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 177.4 | -174.8 | -98.2 | 0 | 0 | 0 | 112.8 | D233 I237 I238 S239 V279 E281 K290 Y338 | D233-F235 VanDerWaalsContact C-N 3.28Å; D233-F235 PolarHBondContact O-N 3.17Å; D233-F235 VanDerWaalsContact O-N 3.16Å; F235-I237 VanDerWaalsContact C-N 3.33Å; F235-I238 PolarHBondContact O-N 3.06Å; F235-S239 PolarHBondContact O-N 2.77Å; F235-V279 HydrophobicContact CE2-CB 4.17Å; F235-V279 HydrophobicContact CE2-CG1 4.3Å; F235-V279 HydrophobicContact CZ-CB 4.22Å; F235-E281 HydrophobicContact CE1-CG 3.81Å; F235-E281 HydrophobicContact CZ-CG 3.97Å; F235-K290 HydrophobicContact CB-CD 4.36Å; F235-K290 HydrophobicContact CD1-CD 3.66Å; F235-K290 HydrophobicContact CD1-CG 4.15Å; F235-K290 HydrophobicContact CD2-CB 4.09Å; F235-K290 HydrophobicContact CD2-CD 4.05Å; F235-K290 HydrophobicContact CD2-CG 4.37Å; F235-K290 HydrophobicContact CE1-CB 4.27Å; F235-K290 HydrophobicContact CE1-CD 3.85Å; F235-K290 HydrophobicContact CE1-CG 3.8Å; F235-K290 HydrophobicContact CE2-CB 3.62Å; F235-K290 HydrophobicContact CE2-CD 4.25Å; F235-K290 HydrophobicContact CE2-CG 4.07Å; F235-K290 HydrophobicContact CG-CD 3.74Å; F235-K290 HydrophobicContact CG-CG 4.4Å; F235-K290 HydrophobicContact CZ-CB 3.71Å; F235-K290 HydrophobicContact CZ-CD 4.15Å; F235-K290 HydrophobicContact CZ-CG 3.75Å; F235-Y338 HydrophobicContact CB-CE1 4.13Å; F235-Y338 HydrophobicContact CB-CE2 4.13Å; F235-Y338 HydrophobicContact CD2-CD1 4.36Å; F235-Y338 AromaticContact CD2-CD2 3.63Å; F235-Y338 HydrophobicContact CD2-CD2 3.63Å; F235-Y338 AromaticContact CD2-CE2 4Å; F235-Y338 HydrophobicContact CD2-CE2 4Å; F235-Y338 AromaticContact CD2-CG 3.82Å; F235-Y338 HydrophobicContact CD2-CG 3.82Å; F235-Y338 HydrophobicContact CE2-CD2 4.4Å; F235-Y338 HydrophobicContact CE2-CG 4.49Å; F235-Y338 PolarHBondContact N-OH 3.38Å |
| 236 | N | 81.9 | Confident | 83 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.9 | -28.4 | 177.7 | -64.1 | -25.4 | 0 | 0 | 0 | 111.5 | D233 L234 R240 | D233-N236 PolarHBondContact O-N 3.03Å; D233-N236 VanDerWaalsContact OD1-CB 3.32Å; D233-N236 WeakPolarHBondContact OD1-CB 3.29Å; D233-N236 PolarHBondContact OD1-ND2 2.89Å; L234-N236 VanDerWaalsContact C-N 3.31Å; L234-N236 PolarHBondContact O-N 3.23Å; N236-R240 WeakPolarHBondContact O-CB 3.02Å; N236-R240 VanDerWaalsContact O-CG 3.28Å; N236-R240 WeakPolarHBondContact O-CG 3.3Å; N236-R240 PolarHBondContact O-N 2.66Å; N236-R240 VanDerWaalsContact O-N 3.11Å; N236-R240 PolarHBondContact O-NE 2.82Å |
| 237 | I | 83 | Confident | 83 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 170.2 | -63.9 | 171.5 | 0 | 0 | 0 | 109.5 | P231 D233 L234 F235 R240 A241 I350 | P231-I237 HydrophobicContact CG-CD1 4.39Å; D233-I237 PolarHBondContact O-N 3.32Å; D233-I237 VanDerWaalsContact O-N 3.08Å; L234-I237 WeakPolarHBondContact O-CB 3.35Å; L234-I237 PolarHBondContact O-N 3.49Å; L234-I237 VanDerWaalsContact O-N 3.1Å; F235-I237 VanDerWaalsContact C-N 3.33Å; I237-R240 PolarHBondContact O-N 2.88Å; I237-A241 WeakPolarHBondContact O-CB 3.06Å; I237-A241 PolarHBondContact O-N 3.33Å; I237-I350 HydrophobicContact CG2-CD1 4.04Å |
| 238 | I | 86.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 177.3 | -64.7 | 167.8 | 0 | 0 | 0 | 110.8 | L234 F235 R240 A241 V242 L248 V276 V279 Y338 F341 L348 | L234-I238 HydrophobicContact CD1-CD1 4.42Å; L234-I238 HydrophobicContact CD1-CG1 4.33Å; L234-I238 HydrophobicContact CG-CD1 4.01Å; L234-I238 HydrophobicContact CG-CG1 4.38Å; L234-I238 WeakPolarHBondContact O-CG1 3.4Å; L234-I238 PolarHBondContact O-N 2.84Å; F235-I238 PolarHBondContact O-N 3.06Å; I238-R240 PolarHBondContact O-N 2.77Å; I238-A241 WeakPolarHBondContact O-CB 3.21Å; I238-A241 PolarHBondContact O-N 2.88Å; I238-A241 VanDerWaalsContact O-N 3.1Å; I238-V242 HydrophobicContact CG2-CG2 4.32Å; I238-V242 WeakPolarHBondContact O-CG2 3.09Å; I238-V242 PolarHBondContact O-N 3.47Å; I238-L248 HydrophobicContact CB-CD2 4.36Å; I238-L248 HydrophobicContact CG1-CD2 4.42Å; I238-L248 HydrophobicContact CG2-CD2 3.68Å; I238-V276 HydrophobicContact CG2-CG1 4.43Å; I238-V279 HydrophobicContact CB-CG1 4.45Å; I238-V279 HydrophobicContact CG2-CG1 3.4Å; I238-V279 VanDerWaalsContact CG2-CG1 3.4Å; I238-V279 HydrophobicContact CG2-CG2 4.46Å; I238-Y338 HydrophobicContact CD1-CE2 4.19Å; I238-F341 HydrophobicContact CD1-CE1 4.43Å; I238-L348 HydrophobicContact CD1-CD2 3.72Å; I238-L348 HydrophobicContact CG1-CD2 3.75Å |
| 239 | S | 83.9 | Confident | 83.4 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.9 | -49.2 | 178.5 | -162.4 | 0 | 0 | 0 | 0 | 111.8 | F235 A241 V242 E243 V279 | F235-S239 PolarHBondContact O-N 2.77Å; S239-A241 VanDerWaalsContact C-N 3.29Å; S239-A241 PolarHBondContact O-N 2.59Å; S239-V242 PolarHBondContact O-N 2.69Å; S239-E243 WeakPolarHBondContact O-CB 3.47Å; S239-E243 VanDerWaalsContact O-CG 3.3Å; S239-E243 WeakPolarHBondContact O-CG 3.43Å; S239-E243 PolarHBondContact O-N 3.38Å; S239-E243 PolarHBondContact OG-OE1 2.99Å; S239-E243 VanDerWaalsContact OG-OE1 3.07Å; S239-V279 VanDerWaalsContact CA-CG2 3.5Å |
| 240 | R | 79.4 | Confident | 83.8 | Confident | 102 Ų | 102 | 42.3 Ų | 42.3 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.7 | -36.1 | 176.8 | -73.2 | 178.7 | -70.4 | -177.8 | -7.2 | 112.4 | D233 N236 I237 I238 R244 | D233-R240 IonicContact OD2-NH2 3.08Å; D233-R240 PolarHBondContact OD2-NH2 3.31Å; N236-R240 WeakPolarHBondContact O-CB 3.02Å; N236-R240 VanDerWaalsContact O-CG 3.28Å; N236-R240 WeakPolarHBondContact O-CG 3.3Å; N236-R240 PolarHBondContact O-N 2.66Å; N236-R240 VanDerWaalsContact O-N 3.11Å; N236-R240 PolarHBondContact O-NE 2.82Å; I237-R240 PolarHBondContact O-N 2.88Å; I238-R240 PolarHBondContact O-N 2.77Å; R240-R244 WeakPolarHBondContact O-CB 3.46Å; R240-R244 VanDerWaalsContact O-CD 3.24Å; R240-R244 WeakPolarHBondContact O-CD 3.5Å; R240-R244 WeakPolarHBondContact O-CG 3.25Å; R240-R244 PolarHBondContact O-N 3.24Å; R240-R244 VanDerWaalsContact O-N 3.12Å |
| 241 | A | 81.1 | Confident | 84.2 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.4 | -46.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I237 I238 S239 R244 G245 S246 L248 I350 | I237-A241 WeakPolarHBondContact O-CB 3.06Å; I237-A241 PolarHBondContact O-N 3.33Å; I238-A241 WeakPolarHBondContact O-CB 3.21Å; I238-A241 PolarHBondContact O-N 2.88Å; I238-A241 VanDerWaalsContact O-N 3.1Å; S239-A241 VanDerWaalsContact C-N 3.29Å; S239-A241 PolarHBondContact O-N 2.59Å; A241-R244 PolarHBondContact O-N 3.33Å; A241-G245 PolarHBondContact O-N 3.17Å; A241-S246 VanDerWaalsContact O-CB 3.27Å; A241-S246 WeakPolarHBondContact O-CB 3.3Å; A241-S246 PolarHBondContact O-N 3.11Å; A241-L248 HydrophobicContact CB-CD1 3.96Å; A241-L248 HydrophobicContact CB-CD2 4.27Å; A241-L248 HydrophobicContact CB-CG 4.45Å; A241-I350 HydrophobicContact CB-CG2 3.85Å |
| 242 | V | 82.2 | Confident | 84.6 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 26% | 0.261 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | I238 S239 R244 G245 L248 | I238-V242 HydrophobicContact CG2-CG2 4.32Å; I238-V242 WeakPolarHBondContact O-CG2 3.09Å; I238-V242 PolarHBondContact O-N 3.47Å; S239-V242 PolarHBondContact O-N 2.69Å; V242-R244 PolarHBondContact O-N 3.47Å; V242-G245 PolarHBondContact O-N 2.86Å; V242-L248 HydrophobicContact CG2-CD1 3.98Å; V242-L248 HydrophobicContact CG2-CD2 4.09Å |
| 243 | E | 76.6 | Confident | 84.8 | Confident | 148 Ų | 148 | 36.2 Ų | 36.2 | 69% | 0.692 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -60.8 | -30.4 | 176.8 | -74.8 | 165.1 | -151.8 | 0 | 0 | 113.1 | S239 G245 | S239-E243 WeakPolarHBondContact O-CB 3.47Å; S239-E243 VanDerWaalsContact O-CG 3.3Å; S239-E243 WeakPolarHBondContact O-CG 3.43Å; S239-E243 PolarHBondContact O-N 3.38Å; S239-E243 PolarHBondContact OG-OE1 2.99Å; S239-E243 VanDerWaalsContact OG-OE1 3.07Å; E243-G245 VanDerWaalsContact C-N 3.27Å |
| 244 | R | 72.6 | Confident | 84.9 | Confident | 112 Ų | 112 | 36 Ų | 36 | 42% | 0.423 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -4.6 | 177 | -71.9 | 168.7 | -171.2 | -168.2 | 1.8 | 113.3 | R240 A241 V242 S246 | R240-R244 WeakPolarHBondContact O-CB 3.46Å; R240-R244 VanDerWaalsContact O-CD 3.24Å; R240-R244 WeakPolarHBondContact O-CD 3.5Å; R240-R244 WeakPolarHBondContact O-CG 3.25Å; R240-R244 PolarHBondContact O-N 3.24Å; R240-R244 VanDerWaalsContact O-N 3.12Å; A241-R244 PolarHBondContact O-N 3.33Å; V242-R244 PolarHBondContact O-N 3.47Å; R244-S246 PolarHBondContact O-N 3.16Å |
| 245 | G | 76.6 | Confident | 84.4 | Confident | 19 Ų | 19 | 42 Ų | 42 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 22.9 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | N127 A241 V242 E243 | N127-G245 PolarHBondContact ND2-O 2.96Å; A241-G245 PolarHBondContact O-N 3.17Å; V242-G245 PolarHBondContact O-N 2.86Å; E243-G245 VanDerWaalsContact C-N 3.27Å |
| 246 | S | 84.1 | Confident | 83.7 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | trans | -59.5 | 152.5 | 166.9 | -67.2 | 0 | 0 | 0 | 0 | 109.5 | A241 R244 L248 C351 | A241-S246 VanDerWaalsContact O-CB 3.27Å; A241-S246 WeakPolarHBondContact O-CB 3.3Å; A241-S246 PolarHBondContact O-N 3.11Å; R244-S246 PolarHBondContact O-N 3.16Å; S246-L248 WeakPolarHBondContact O-CD1 3.33Å; S246-C351 VanDerWaalsContact CB-O 3.24Å; S246-C351 WeakPolarHBondContact CB-O 3.49Å | ||
| 247 | L | 89.1 | Confident | 83.2 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 128.4 | 176.3 | -50.6 | -175.5 | 0 | 0 | 0 | 109.3 | S123 L130 F214 T218 C351 | S123-L247 WeakPolarHBondContact O-CD2 3.18Å; L130-L247 HydrophobicContact CD1-CD2 4.35Å; F214-L247 HydrophobicContact CB-CB 4.47Å; F214-L247 HydrophobicContact CB-CD1 4.28Å; F214-L247 HydrophobicContact CD1-CB 3.43Å; F214-L247 VanDerWaalsContact CD1-CB 3.43Å; F214-L247 HydrophobicContact CD1-CD1 3.57Å; F214-L247 HydrophobicContact CD1-CG 4.16Å; F214-L247 HydrophobicContact CD2-CB 4.34Å; F214-L247 HydrophobicContact CE1-CB 3.52Å; F214-L247 HydrophobicContact CE1-CD1 4.25Å; F214-L247 HydrophobicContact CE2-CB 4.43Å; F214-L247 HydrophobicContact CG-CB 3.86Å; F214-L247 HydrophobicContact CG-CD1 4.23Å; F214-L247 HydrophobicContact CZ-CB 4.05Å; T218-L247 HydrophobicContact CG2-CD1 3.47Å; T218-L247 VanDerWaalsContact CG2-CD1 3.47Å; T218-L247 HydrophobicContact CG2-CG 4.18Å; L247-C351 HydrophobicContact CB-CB 4.22Å; L247-C351 PolarHBondContact N-O 3.31Å; L247-C351 PolarHBondContact O-N 3.04Å |
| 248 | L | 91.1 | Very high | 82.6 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.1 | -178.3 | -68.5 | 82 | 0 | 0 | 0 | 110.6 | S123 F214 I238 A241 V242 S246 V276 E349 I350 | S123-L248 PolarHBondContact OG-O 3.36Å; F214-L248 VanDerWaalsContact CZ-C 3.46Å; I238-L248 HydrophobicContact CB-CD2 4.36Å; I238-L248 HydrophobicContact CG1-CD2 4.42Å; I238-L248 HydrophobicContact CG2-CD2 3.68Å; A241-L248 HydrophobicContact CB-CD1 3.96Å; A241-L248 HydrophobicContact CB-CD2 4.27Å; A241-L248 HydrophobicContact CB-CG 4.45Å; V242-L248 HydrophobicContact CG2-CD1 3.98Å; V242-L248 HydrophobicContact CG2-CD2 4.09Å; S246-L248 WeakPolarHBondContact O-CD1 3.33Å; L248-V276 HydrophobicContact CB-CB 3.76Å; L248-V276 HydrophobicContact CB-CG1 4.47Å; L248-V276 HydrophobicContact CB-CG2 4.49Å; L248-V276 HydrophobicContact CD2-CB 4.44Å; L248-V276 HydrophobicContact CD2-CG1 4.32Å; L248-V276 PolarHBondContact O-N 3.48Å; L248-E349 WeakPolarHBondContact CA-O 3.17Å; L248-I350 HydrophobicContact CD2-CD1 4.41Å; L248-I350 HydrophobicContact CD2-CG1 4.27Å; L248-I350 HydrophobicContact CG-CG1 4.18Å; L248-I350 HydrophobicContact CG-CG2 4.32Å |
| 249 | G | 93.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 152 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y274 L348 E349 | G249-Y274 CarbonylContact C-O 3.36Å; G249-Y274 WeakPolarHBondContact CA-O 3.49Å; G249-L348 CarbonylContact O-C 3.59Å; G249-L348 WeakPolarHBondContact O-CA 3.36Å; G249-L348 WeakPolarHBondContact O-CD1 3.47Å; G249-E349 PolarHBondContact N-O 3.09Å; G249-E349 PolarHBondContact O-N 3.44Å |
| 250 | C | 93.5 | Very high | 81.7 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 157 | 173.7 | 59 | 0 | 0 | 0 | 0 | 111 | Y274 V276 F341 F345 R347 L348 | C250-Y274 PolarHBondContact N-O 2.71Å; C250-Y274 PolarHBondContact O-N 3.49Å; C250-V276 HydrophobicContact CB-CG2 4.19Å; C250-F341 HydrophobicContact CB-CE2 3.9Å; C250-F341 HydrophobicContact CB-CZ 4.05Å; C250-F345 HydrophobicContact CB-CD1 3.86Å; C250-F345 HydrophobicContact CB-CE1 4.28Å; C250-F345 WeakPolarHBondContact SG-CE1 3.42Å; C250-R347 VanDerWaalsContact CA-O 3.26Å; C250-R347 WeakPolarHBondContact CA-O 3.11Å; C250-R347 WeakPolarHBondContact CB-O 3.3Å; C250-L348 HydrophobicContact CB-CD1 4.36Å |
| 251 | S | 92.7 | Very high | 81.6 | Confident | 19 Ų | 19 | 53 Ų | 53 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 161 | -178.5 | 61 | 0 | 0 | 0 | 0 | 112.1 | T346 R347 | S251-T346 PolarHBondContact O-N 3.19Å; S251-R347 PolarHBondContact N-O 3.14Å; S251-R347 PolarHBondContact O-N 3.38Å |
| 252 | I | 91 | Very high | 81.7 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | trans | -113.1 | 119.2 | 177.7 | -51.7 | 177.2 | 0 | 0 | 0 | 107.5 | L268 K270 G271 F345 | I252-L268 HydrophobicContact CD1-CB 3.74Å; I252-L268 HydrophobicContact CD1-CD1 4.07Å; I252-L268 HydrophobicContact CD1-CG 4.48Å; I252-K270 HydrophobicContact CG2-CG 4.02Å; I252-G271 PolarHBondContact O-N 2.98Å; I252-F345 HydrophobicContact CD1-CD1 4.42Å; I252-F345 HydrophobicContact CD1-CE1 4.29Å; I252-F345 HydrophobicContact CG1-CD1 3.74Å; I252-F345 HydrophobicContact CG1-CE1 3.98Å; I252-F345 HydrophobicContact CG1-CG 4.23Å | ||
| 253 | D | 85.2 | Confident | 81.9 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 31% | 0.305 | 32% | 0.32 | S | S | . | . | trans | -67.6 | 144.9 | -178.7 | -78.6 | -1.5 | 0 | 0 | 0 | 111.1 | T346 R347 | D253-T346 HydrophobicContact CB-CG2 3.96Å; D253-T346 PolarHBondContact N-OG1 2.94Å; D253-T346 WeakPolarHBondContact OD2-CG2 3.31Å; D253-R347 IonicContact OD1-CZ 3.65Å; D253-R347 IonicContact OD1-NE 2.72Å; D253-R347 PolarHBondContact OD1-NE 2.58Å; D253-R347 IonicContact OD1-NH2 3.62Å; D253-R347 IonicContact OD2-CZ 3.8Å; D253-R347 IonicContact OD2-NE 3.87Å; D253-R347 PolarHBondContact OD2-NE 3.32Å; D253-R347 IonicContact OD2-NH2 2.64Å; D253-R347 PolarHBondContact OD2-NH2 3.14Å | ||
| 254 | I | 84.4 | Confident | 82.4 | Confident | 62 Ų | 62 | 50.6 Ų | 50.6 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | trans | -90.5 | 143.8 | 173.4 | 56.3 | 173.9 | 0 | 0 | 0 | 110.6 | D259 M260 K270 | I254-D259 HydrophobicContact CB-CB 4.1Å; I254-D259 HydrophobicContact CG2-CB 4.04Å; I254-D259 WeakPolarHBondContact CG2-O 3.24Å; I254-M260 HydrophobicContact CD1-CB 4.43Å; I254-M260 HydrophobicContact CD1-CE 3.99Å; I254-K270 HydrophobicContact CG2-CB 3.98Å | ||
| 255 | T | 75.9 | Confident | 83.1 | Confident | 127 Ų | 127 | 53.7 Ų | 53.7 | 78% | 0.779 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -89.4 | -25.5 | 174.4 | 36.2 | 0 | 0 | 0 | 0 | 112.6 | D259 | T255-D259 PolarHBondContact OG1-OD2 3.34Š|
| 256 | S | 74.4 | Confident | 83.7 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -145.9 | 157.8 | 178.8 | 68.3 | 0 | 0 | 0 | 0 | 110.4 | S258 D259 | S256-S258 PolarHBondContact O-N 3.19Å; S256-S258 PolarHBondContact OG-OG 3.47Å; S256-D259 PolarHBondContact N-OD2 3.26Å; S256-D259 VanDerWaalsContact N-OD2 3.07Å; S256-D259 WeakPolarHBondContact O-CB 3.17Å; S256-D259 PolarHBondContact O-N 3.22Å; S256-D259 PolarHBondContact OG-OD2 3.32Å |
| 257 | S | 71.2 | Confident | 84 | Confident | 110 Ų | 110 | 58.5 Ų | 58.5 | 77% | 0.769 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -62.4 | -25.1 | 176.6 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | D259 M260 | S257-D259 PolarHBondContact O-N 3.09Å; S257-M260 WeakPolarHBondContact O-CB 2.85Å; S257-M260 PolarHBondContact O-N 3.22Å |
| 258 | S | 69.9 | Low | 84 | Confident | 99 Ų | 99 | 58.4 Ų | 58.4 | 69% | 0.692 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -70.3 | -15.6 | 172.5 | 41.8 | 0 | 0 | 0 | 0 | 114.2 | S256 M260 | S256-S258 PolarHBondContact O-N 3.19Å; S256-S258 PolarHBondContact OG-OG 3.47Å; S258-M260 VanDerWaalsContact C-N 3.32Å |
| 259 | D | 75.8 | Confident | 83.9 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -88.1 | 0.1 | 176.7 | -59.9 | -48.6 | 0 | 0 | 0 | 112.7 | I254 T255 S256 S257 E261 A262 K270 | I254-D259 HydrophobicContact CB-CB 4.1Å; I254-D259 HydrophobicContact CG2-CB 4.04Å; I254-D259 WeakPolarHBondContact CG2-O 3.24Å; T255-D259 PolarHBondContact OG1-OD2 3.34Å; S256-D259 PolarHBondContact N-OD2 3.26Å; S256-D259 VanDerWaalsContact N-OD2 3.07Å; S256-D259 WeakPolarHBondContact O-CB 3.17Å; S256-D259 PolarHBondContact O-N 3.22Å; S256-D259 PolarHBondContact OG-OD2 3.32Å; S257-D259 PolarHBondContact O-N 3.09Å; D259-E261 PolarHBondContact O-N 3.48Å; D259-A262 VanDerWaalsContact O-CB 3.26Å; D259-A262 WeakPolarHBondContact O-CB 3.1Å; D259-A262 PolarHBondContact O-N 3.33Å; D259-A262 VanDerWaalsContact O-N 3.11Å; D259-K270 HydrophobicContact CB-CD 4.49Å |
| 260 | M | 75.8 | Confident | 83.6 | Confident | 120 Ų | 120 | 61.2 Ų | 61.2 | 59% | 0.591 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 125.4 | 178.4 | -173.8 | 168.5 | -76.3 | 0 | 0 | 110.3 | I254 S257 S258 A262 | I254-M260 HydrophobicContact CD1-CB 4.43Å; I254-M260 HydrophobicContact CD1-CE 3.99Å; S257-M260 WeakPolarHBondContact O-CB 2.85Å; S257-M260 PolarHBondContact O-N 3.22Å; S258-M260 VanDerWaalsContact C-N 3.32Å; M260-A262 PolarHBondContact O-N 2.81Å |
| 261 | E | 78.2 | Confident | 83.2 | Confident | 77 Ų | 77 | 62.6 Ų | 62.6 | 36% | 0.36 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 20.9 | -173.8 | -60.1 | -176 | 164 | 0 | 0 | 114.3 | D259 V263 V269 K270 W298 | D259-E261 PolarHBondContact O-N 3.48Å; E261-V263 PolarHBondContact O-N 2.92Å; E261-V269 HydrophobicContact CB-CG1 4.25Å; E261-K270 VanDerWaalsContact CA-O 3.26Å; E261-K270 WeakPolarHBondContact CA-O 3.46Å; E261-K270 PolarHBondContact N-O 3.45Å; E261-W298 HydrophobicContact CB-CZ2 4.39Å; E261-W298 HydrophobicContact CG-CZ2 4.42Å |
| 262 | A | 82.6 | Confident | 82.9 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 127.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | D259 M260 K270 | D259-A262 VanDerWaalsContact O-CB 3.26Å; D259-A262 WeakPolarHBondContact O-CB 3.1Å; D259-A262 PolarHBondContact O-N 3.33Å; D259-A262 VanDerWaalsContact O-N 3.11Å; M260-A262 PolarHBondContact O-N 2.81Å; A262-K270 PolarHBondContact O-N 3.06Å |
| 263 | V | 86.9 | Confident | 82.8 | Confident | 80 Ų | 80 | 61.4 Ų | 61.4 | 49% | 0.485 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -81.7 | 123.4 | 177.8 | -171.7 | 0 | 0 | 0 | 0 | 110.2 | E261 K267 V269 V301 | E261-V263 PolarHBondContact O-N 2.92Å; V263-K267 HydrophobicContact CG1-CB 4.48Å; V263-V269 HydrophobicContact CG2-CG2 4.33Å; V263-V301 HydrophobicContact CG1-CG1 4.33Å |
| 264 | T | 87.4 | Confident | 83.2 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 20% | 0.202 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 166.6 | 175.1 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | K266 K267 L268 K270 | T264-K266 PolarHBondContact O-N 2.97Å; T264-K266 VanDerWaalsContact O-N 3.12Å; T264-K267 WeakPolarHBondContact O-CA 3.34Å; T264-K267 PolarHBondContact O-N 2.8Å; T264-L268 WeakPolarHBondContact CB-O 3.36Å; T264-L268 VanDerWaalsContact CG2-O 3.32Å; T264-L268 WeakPolarHBondContact CG2-O 3.27Å; T264-L268 PolarHBondContact N-O 3.26Å; T264-L268 WeakPolarHBondContact OG1-CB 3.19Å; T264-L268 PolarHBondContact OG1-N 2.72Å; T264-L268 PolarHBondContact OG1-O 3.03Å; T264-K270 HydrophobicContact CG2-CD 4.39Å; T264-K270 HydrophobicContact CG2-CG 3.97Å |
| 265 | F | 87.3 | Confident | 83.5 | Confident | 177 Ų | 177 | 55.8 Ų | 55.8 | 78% | 0.776 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.3 | 176.1 | 79.4 | -86.8 | 0 | 0 | 0 | 113.9 | K267 | F265-K267 VanDerWaalsContact C-N 3.29Š|
| 266 | K | 88.9 | Confident | 84.3 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 15% | 0.152 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 14.1 | 175.1 | -58 | -169.5 | -175.7 | 172 | 0 | 113.3 | T264 L268 W303 T304 E344 | T264-K266 PolarHBondContact O-N 2.97Å; T264-K266 VanDerWaalsContact O-N 3.12Å; K266-L268 VanDerWaalsContact C-N 3.26Å; K266-L268 PolarHBondContact O-N 3.45Å; K266-W303 HydrophobicContact CB-CE3 3.79Å; K266-W303 HydrophobicContact CB-CH2 4.39Å; K266-W303 HydrophobicContact CB-CZ3 3.55Å; K266-W303 HydrophobicContact CD-CE3 4.21Å; K266-W303 HydrophobicContact CD-CH2 3.27Å; K266-W303 HydrophobicContact CD-CZ2 4.25Å; K266-W303 HydrophobicContact CD-CZ3 3.24Å; K266-W303 HydrophobicContact CG-CH2 4.45Å; K266-W303 HydrophobicContact CG-CZ3 4.04Å; K266-T304 WeakPolarHBondContact CA-OG1 3.44Å; K266-T304 PolarHBondContact O-N 3.21Å; K266-T304 PolarHBondContact O-OG1 3.26Å; K266-E344 IonicContact NZ-OE1 3.56Å; K266-E344 PolarHBondContact NZ-OE1 2.9Å |
| 267 | K | 88.9 | Confident | 85 | Confident | 96 Ų | 96 | 48 Ų | 48 | 42% | 0.417 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 61.1 | 22.8 | -177.8 | -62.5 | -166.3 | -176.3 | -179.1 | 0 | 115.7 | V263 T264 F265 V301 E302 T304 | V263-K267 HydrophobicContact CG1-CB 4.48Å; T264-K267 WeakPolarHBondContact O-CA 3.34Å; T264-K267 PolarHBondContact O-N 2.8Å; F265-K267 VanDerWaalsContact C-N 3.29Å; K267-V301 HydrophobicContact CB-CG1 4.08Å; K267-V301 WeakPolarHBondContact O-CG1 3.21Å; K267-E302 WeakPolarHBondContact CB-O 3.46Å; K267-T304 HydrophobicContact CB-CG2 4.24Å; K267-T304 HydrophobicContact CD-CG2 3.58Å; K267-T304 HydrophobicContact CG-CG2 3.78Å |
| 268 | L | 90.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -85.8 | 143.7 | 165.1 | -59.6 | 176.6 | 0 | 0 | 0 | 110.2 | I252 T264 K266 W303 F334 E344 F345 | I252-L268 HydrophobicContact CD1-CB 3.74Å; I252-L268 HydrophobicContact CD1-CD1 4.07Å; I252-L268 HydrophobicContact CD1-CG 4.48Å; T264-L268 WeakPolarHBondContact CB-O 3.36Å; T264-L268 VanDerWaalsContact CG2-O 3.32Å; T264-L268 WeakPolarHBondContact CG2-O 3.27Å; T264-L268 PolarHBondContact N-O 3.26Å; T264-L268 WeakPolarHBondContact OG1-CB 3.19Å; T264-L268 PolarHBondContact OG1-N 2.72Å; T264-L268 PolarHBondContact OG1-O 3.03Å; K266-L268 VanDerWaalsContact C-N 3.26Å; K266-L268 PolarHBondContact O-N 3.45Å; L268-W303 HydrophobicContact CD1-CE3 3.77Å; L268-W303 HydrophobicContact CD1-CZ3 3.61Å; L268-W303 HydrophobicContact CD2-CB 4.47Å; L268-W303 HydrophobicContact CD2-CE3 3.96Å; L268-W303 HydrophobicContact CG-CE3 3.75Å; L268-W303 HydrophobicContact CG-CZ3 4.06Å; L268-F334 HydrophobicContact CD2-CE2 4.13Å; L268-F334 HydrophobicContact CD2-CZ 3.67Å; L268-E344 HydrophobicContact CD1-CB 3.7Å; L268-E344 HydrophobicContact CD1-CG 4.13Å; L268-F345 HydrophobicContact CD1-CE2 4.26Å; L268-F345 HydrophobicContact CD2-CZ 4.38Å |
| 269 | V | 88.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -99.3 | 127.9 | -178 | -172 | 0 | 0 | 0 | 0 | 109.1 | E261 V263 H272 Y274 W298 | E261-V269 HydrophobicContact CB-CG1 4.25Å; V263-V269 HydrophobicContact CG2-CG2 4.33Å; V269-H272 HydrophobicContact CB-CB 3.84Å; V269-H272 HydrophobicContact CG1-CB 3.62Å; V269-Y274 HydrophobicContact CB-CE2 4.49Å; V269-Y274 VanDerWaalsContact CB-OH 3.3Å; V269-Y274 WeakPolarHBondContact CB-OH 3.48Å; V269-Y274 WeakPolarHBondContact CG2-OH 3.5Å; V269-Y274 PolarHBondContact N-OH 3.02Å; V269-W298 HydrophobicContact CB-CH2 4.37Å; V269-W298 HydrophobicContact CG1-CH2 3.65Å; V269-W298 HydrophobicContact CG1-CZ2 4.03Å; V269-W298 HydrophobicContact CG1-CZ3 4.31Å; V269-W298 HydrophobicContact CG2-CE3 4.1Å; V269-W298 HydrophobicContact CG2-CH2 3.76Å; V269-W298 HydrophobicContact CG2-CZ2 4.49Å; V269-W298 HydrophobicContact CG2-CZ3 3.53Å |
| 270 | K | 87.8 | Confident | 87.6 | Confident | 62 Ų | 62 | 41.4 Ų | 41.4 | 27% | 0.27 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 150.5 | 176.4 | -64.4 | -176.1 | 176.6 | 179.8 | 0 | 111.8 | I252 I254 D259 E261 A262 T264 H272 | I252-K270 HydrophobicContact CG2-CG 4.02Å; I254-K270 HydrophobicContact CG2-CB 3.98Å; D259-K270 HydrophobicContact CB-CD 4.49Å; E261-K270 VanDerWaalsContact CA-O 3.26Å; E261-K270 WeakPolarHBondContact CA-O 3.46Å; E261-K270 PolarHBondContact N-O 3.45Å; A262-K270 PolarHBondContact O-N 3.06Å; T264-K270 HydrophobicContact CG2-CD 4.39Å; T264-K270 HydrophobicContact CG2-CG 3.97Å; K270-H272 PolarHBondContact O-N 3.2Å |
| 271 | G | 83.5 | Confident | 88.4 | Confident | 31 Ų | 31 | 39.4 Ų | 39.4 | 32% | 0.32 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 23.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I252 | I252-G271 PolarHBondContact O-N 2.98Š|
| 272 | H | 87.4 | Confident | 88.9 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | trans | -124.4 | 145.1 | -173.1 | -173.7 | 63.7 | 0 | 0 | 0 | 110.4 | Q109 C115 V269 K270 Y274 N296 P297 W298 | Q109-H272 PolarHBondContact OE1-CE1 3.25Å; C115-H272 WeakPolarHBondContact CB-CE1 3.36Å; C115-H272 WeakPolarHBondContact CB-ND1 3.33Å; C115-H272 PolarHBondContact SG-ND1 2.92Å; C115-H272 VanDerWaalsContact SG-ND1 3.42Å; V269-H272 HydrophobicContact CB-CB 3.84Å; V269-H272 HydrophobicContact CG1-CB 3.62Å; K270-H272 PolarHBondContact O-N 3.2Å; H272-Y274 HydrophobicContact CB-CE2 4.24Å; H272-Y274 AromaticContact CD2-CE2 3.67Å; H272-Y274 AromaticContact CD2-CZ 3.79Å; H272-N296 PolarHBondContact NE2-OD1 3.13Å; H272-P297 WeakPolarHBondContact NE2-CD 3.18Å; H272-P297 WeakPolarHBondContact NE2-CG 3.44Å; H272-W298 AromaticContact CE1-CD1 3.56Å; H272-W298 AromaticContact CE1-CE2 3.72Å; H272-W298 AromaticContact CE1-NE1 3.17Å; H272-W298 PolarHBondContact CE1-NE1 3.42Å; H272-W298 AromaticContact ND1-NE1 3.92Å; H272-W298 AromaticContact NE2-CD1 3.86Å; H272-W298 AromaticContact NE2-NE1 3.78Å | ||
| 273 | A | 89.4 | Confident | 89.1 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 5% | 0.05 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 133.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | W116 A119 T210 P297 | W116-A273 HydrophobicContact CB-CB 4.26Å; A119-A273 HydrophobicContact CB-CB 3.75Å; T210-A273 VanDerWaalsContact OG1-CB 3.29Å; T210-A273 WeakPolarHBondContact OG1-CB 3.42Å; A273-P297 WeakPolarHBondContact O-CD 3.24Å; A273-P297 VanDerWaalsContact O-CG 3.23Å; A273-P297 WeakPolarHBondContact O-CG 3.43Å |
| 274 | Y | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 153.3 | 173.6 | -71.2 | -95.3 | 0 | 0 | 0 | 110 | G249 C250 V269 H272 I294 R295 N296 F334 F345 | G249-Y274 CarbonylContact C-O 3.36Å; G249-Y274 WeakPolarHBondContact CA-O 3.49Å; C250-Y274 PolarHBondContact N-O 2.71Å; C250-Y274 PolarHBondContact O-N 3.49Å; V269-Y274 HydrophobicContact CB-CE2 4.49Å; V269-Y274 VanDerWaalsContact CB-OH 3.3Å; V269-Y274 WeakPolarHBondContact CB-OH 3.48Å; V269-Y274 WeakPolarHBondContact CG2-OH 3.5Å; V269-Y274 PolarHBondContact N-OH 3.02Å; H272-Y274 HydrophobicContact CB-CE2 4.24Å; H272-Y274 AromaticContact CD2-CE2 3.67Å; H272-Y274 AromaticContact CD2-CZ 3.79Å; Y274-I294 HydrophobicContact CD1-CG2 3.72Å; Y274-I294 HydrophobicContact CG-CG2 4Å; Y274-R295 WeakPolarHBondContact CA-O 3.31Å; Y274-N296 HydrophobicContact CD1-CB 4.07Å; Y274-N296 HydrophobicContact CE1-CB 3.67Å; Y274-F334 HydrophobicContact CD1-CZ 4.49Å; Y274-F334 HydrophobicContact CE1-CE1 4.28Å; Y274-F334 HydrophobicContact CE1-CZ 4.28Å; Y274-F345 AromaticContact CD2-CE1 3.74Å; Y274-F345 HydrophobicContact CD2-CE1 3.74Å; Y274-F345 HydrophobicContact CD2-CZ 4.31Å; Y274-F345 HydrophobicContact CE2-CE1 4.3Å; Y274-F345 HydrophobicContact CG-CE1 4.01Å; Y274-F345 HydrophobicContact CG-CZ 4.35Å |
| 275 | S | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 136.4 | 173.8 | -52.6 | 0 | 0 | 0 | 0 | 110 | A119 S123 I294 R295 | A119-S275 WeakPolarHBondContact CA-OG 3.32Å; A119-S275 PolarHBondContact O-OG 3.27Å; S123-S275 WeakPolarHBondContact OG-CB 3.5Å; S123-S275 PolarHBondContact OG-OG 3.38Å; S275-I294 CarbonylContact O-C 3.41Å; S275-I294 VanDerWaalsContact O-CA 3.31Å; S275-I294 WeakPolarHBondContact O-CA 3.33Å; S275-R295 PolarHBondContact N-O 3.11Å; S275-R295 PolarHBondContact O-N 2.94Å |
| 276 | V | 92.6 | Very high | 88.6 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.7 | 168.8 | 177.5 | 0 | 0 | 0 | 0 | 108 | I238 L248 C250 V292 L348 | I238-V276 HydrophobicContact CG2-CG1 4.43Å; L248-V276 HydrophobicContact CB-CB 3.76Å; L248-V276 HydrophobicContact CB-CG1 4.47Å; L248-V276 HydrophobicContact CB-CG2 4.49Å; L248-V276 HydrophobicContact CD2-CB 4.44Å; L248-V276 HydrophobicContact CD2-CG1 4.32Å; L248-V276 PolarHBondContact O-N 3.48Å; C250-V276 HydrophobicContact CB-CG2 4.19Å; V276-V292 HydrophobicContact CG1-CG1 3.68Å; V276-L348 HydrophobicContact CG2-CD1 4.09Å |
| 277 | T | 88.4 | Confident | 88.6 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -17.2 | -168 | 66.7 | 0 | 0 | 0 | 0 | 114.2 | L126 R293 R295 E333 | L126-T277 HydrophobicContact CD1-CG2 4.16Å; T277-R293 PolarHBondContact N-O 2.67Å; T277-R293 PolarHBondContact O-NH2 2.81Å; T277-R293 WeakPolarHBondContact OG1-CG 3.24Å; T277-R293 PolarHBondContact OG1-NE 3.37Å; T277-R295 HydrophobicContact CG2-CB 3.81Å; T277-E333 PolarHBondContact OG1-OE1 3.42Å |
| 278 | A | 89.4 | Confident | 88.6 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 13% | 0.132 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 162.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R293 W335 | A278-R293 HydrophobicContact CB-CB 3.98Å; A278-R293 PolarHBondContact O-N 3.45Å; A278-W335 HydrophobicContact CB-CH2 3.94Å |
| 279 | V | 92.1 | Very high | 88.6 | Confident | 21 Ų | 21 | 45.5 Ų | 45.5 | 13% | 0.127 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148.3 | 162.8 | -67.7 | 0 | 0 | 0 | 0 | 109.8 | F235 I238 S239 L291 V292 | F235-V279 HydrophobicContact CE2-CB 4.17Å; F235-V279 HydrophobicContact CE2-CG1 4.3Å; F235-V279 HydrophobicContact CZ-CB 4.22Å; I238-V279 HydrophobicContact CB-CG1 4.45Å; I238-V279 HydrophobicContact CG2-CG1 3.4Å; I238-V279 VanDerWaalsContact CG2-CG1 3.4Å; I238-V279 HydrophobicContact CG2-CG2 4.46Å; S239-V279 VanDerWaalsContact CA-CG2 3.5Å; V279-L291 WeakPolarHBondContact CA-O 3.35Å; V279-V292 HydrophobicContact CG1-CB 4.47Å; V279-V292 HydrophobicContact CG1-CG1 4.21Å; V279-V292 HydrophobicContact CG1-CG2 4.17Å |
| 280 | H | 90.6 | Very high | 88.9 | Confident | 71 Ų | 71 | 49.1 Ų | 49.1 | 33% | 0.329 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 149.8 | 177.7 | -153.4 | -66.1 | 0 | 0 | 0 | 110.6 | L291 L325 W335 | H280-L291 PolarHBondContact N-O 2.97Å; H280-L291 PolarHBondContact O-N 2.91Å; H280-L325 HydrophobicContact CB-CD1 4.3Å; H280-W335 HydrophobicContact CB-CH2 3.85Å; H280-W335 HydrophobicContact CB-CZ3 3.94Å |
| 281 | E | 91.5 | Very high | 89.2 | Confident | 77 Ų | 77 | 46.1 Ų | 46.1 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 128.1 | 169.3 | -59.6 | -170.3 | 135.8 | 0 | 0 | 109.5 | F235 L288 T289 K290 | F235-E281 HydrophobicContact CE1-CG 3.81Å; F235-E281 HydrophobicContact CZ-CG 3.97Å; E281-L288 HydrophobicContact CB-CD1 3.88Å; E281-L288 HydrophobicContact CB-CD2 4.43Å; E281-L288 HydrophobicContact CB-CG 4.1Å; E281-T289 WeakPolarHBondContact CA-O 3.38Å; E281-K290 HydrophobicContact CG-CG 4.15Å; E281-K290 WeakPolarHBondContact OE1-CE 3.47Å |
| 282 | V | 90 | Very high | 89.7 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 143.7 | -179.5 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | Y284 T289 L291 W307 T321 L325 | V282-Y284 PolarHBondContact O-N 3.26Å; V282-T289 PolarHBondContact N-O 3.37Å; V282-T289 PolarHBondContact O-N 3.42Å; V282-L291 HydrophobicContact CB-CD1 4.43Å; V282-L291 HydrophobicContact CG1-CD1 3.98Å; V282-L291 HydrophobicContact CG2-CD1 3.56Å; V282-L291 HydrophobicContact CG2-CG 3.94Å; V282-W307 HydrophobicContact CG2-CH2 3.88Å; V282-W307 HydrophobicContact CG2-CZ2 4.42Å; V282-W307 HydrophobicContact CG2-CZ3 4.23Å; V282-T321 HydrophobicContact CG1-CG2 4.16Å; V282-L325 HydrophobicContact CG1-CD1 3.71Å |
| 283 | M | 85.8 | Confident | 90 | Very high | 116 Ų | 116 | 46.9 Ų | 46.9 | 57% | 0.571 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 109.2 | 174.3 | -165.4 | 62.9 | 153.5 | 0 | 0 | 109.1 | G286 N287 | M283-G286 VanDerWaalsContact CE-C 3.48Å; M283-G286 WeakPolarHBondContact CE-O 2.99Å; M283-N287 VanDerWaalsContact SD-C 3.59Å |
| 284 | Y | 85 | Confident | 90.2 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 17% | 0.173 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 115.3 | 179.5 | 177.5 | -110.3 | 0 | 0 | 0 | 109.6 | V282 G286 N287 W307 E313 | V282-Y284 PolarHBondContact O-N 3.26Å; Y284-G286 PolarHBondContact O-N 3.27Å; Y284-G286 VanDerWaalsContact O-N 3.16Å; Y284-N287 PolarHBondContact N-O 2.96Å; Y284-N287 PolarHBondContact O-N 3.34Å; Y284-W307 HydrophobicContact CD1-CZ2 4.15Å; Y284-W307 AromaticContact CD2-CH2 3.6Å; Y284-W307 HydrophobicContact CD2-CH2 3.6Å; Y284-W307 AromaticContact CD2-CZ2 3.91Å; Y284-W307 HydrophobicContact CD2-CZ2 3.91Å; Y284-W307 HydrophobicContact CE2-CH2 4.3Å; Y284-W307 HydrophobicContact CE2-CZ2 4.44Å; Y284-W307 AromaticContact CG-CH2 3.79Å; Y284-W307 HydrophobicContact CG-CH2 3.79Å; Y284-W307 AromaticContact CG-CZ2 3.75Å; Y284-W307 HydrophobicContact CG-CZ2 3.75Å; Y284-E313 HydrophobicContact CE2-CB 4.11Å; Y284-E313 HydrophobicContact CE2-CG 4.42Å; Y284-E313 WeakPolarHBondContact CE2-O 3.36Å |
| 285 | R | 85 | Confident | 90.1 | Very high | 188 Ų | 188 | 46.7 Ų | 46.7 | 71% | 0.709 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 38.5 | 179.2 | -59.2 | -176.6 | 176.4 | -175.6 | 1.4 | 114.2 | ||
| 286 | G | 81.9 | Confident | 90 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 54% | 0.536 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -3.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | M283 Y284 | M283-G286 VanDerWaalsContact CE-C 3.48Å; M283-G286 WeakPolarHBondContact CE-O 2.99Å; Y284-G286 PolarHBondContact O-N 3.27Å; Y284-G286 VanDerWaalsContact O-N 3.16Å |
| 287 | N | 87.9 | Confident | 89.6 | Confident | 116 Ų | 116 | 46.6 Ų | 46.6 | 62% | 0.62 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.7 | 177.6 | -67.4 | -32.9 | 0 | 0 | 0 | 111.4 | M283 Y284 T289 | M283-N287 VanDerWaalsContact SD-C 3.59Å; Y284-N287 PolarHBondContact N-O 2.96Å; Y284-N287 PolarHBondContact O-N 3.34Å; N287-T289 PolarHBondContact O-N 3.38Å |
| 288 | L | 89.3 | Confident | 89.2 | Confident | 111 Ų | 111 | 48.7 Ų | 48.7 | 58% | 0.581 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 115.1 | 173.1 | -166.8 | 70.9 | 0 | 0 | 0 | 109.5 | E281 | E281-L288 HydrophobicContact CB-CD1 3.88Å; E281-L288 HydrophobicContact CB-CD2 4.43Å; E281-L288 HydrophobicContact CB-CG 4.1Å |
| 289 | T | 90.9 | Very high | 88.8 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.9 | -178.4 | -57 | 0 | 0 | 0 | 0 | 109.8 | E281 V282 N287 L291 W307 | E281-T289 WeakPolarHBondContact CA-O 3.38Å; V282-T289 PolarHBondContact N-O 3.37Å; V282-T289 PolarHBondContact O-N 3.42Å; N287-T289 PolarHBondContact O-N 3.38Å; T289-L291 HydrophobicContact CG2-CD2 4.02Å; T289-W307 HydrophobicContact CG2-CZ2 4.12Å |
| 290 | K | 94.2 | Very high | 88.2 | Confident | 76 Ų | 76 | 53 Ų | 53 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 124 | 178.7 | -68.5 | 176.6 | 174.5 | -170.1 | 0 | 110.1 | F235 E281 Y338 | F235-K290 HydrophobicContact CB-CD 4.36Å; F235-K290 HydrophobicContact CD1-CD 3.66Å; F235-K290 HydrophobicContact CD1-CG 4.15Å; F235-K290 HydrophobicContact CD2-CB 4.09Å; F235-K290 HydrophobicContact CD2-CD 4.05Å; F235-K290 HydrophobicContact CD2-CG 4.37Å; F235-K290 HydrophobicContact CE1-CB 4.27Å; F235-K290 HydrophobicContact CE1-CD 3.85Å; F235-K290 HydrophobicContact CE1-CG 3.8Å; F235-K290 HydrophobicContact CE2-CB 3.62Å; F235-K290 HydrophobicContact CE2-CD 4.25Å; F235-K290 HydrophobicContact CE2-CG 4.07Å; F235-K290 HydrophobicContact CG-CD 3.74Å; F235-K290 HydrophobicContact CG-CG 4.4Å; F235-K290 HydrophobicContact CZ-CB 3.71Å; F235-K290 HydrophobicContact CZ-CD 4.15Å; F235-K290 HydrophobicContact CZ-CG 3.75Å; E281-K290 HydrophobicContact CG-CG 4.15Å; E281-K290 WeakPolarHBondContact OE1-CE 3.47Å; K290-Y338 PolarHBondContact O-N 2.56Å |
| 291 | L | 94.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 146.1 | 179.4 | -56.7 | -176.1 | 0 | 0 | 0 | 111.2 | V279 H280 V282 T289 W307 W314 W335 M336 | V279-L291 WeakPolarHBondContact CA-O 3.35Å; H280-L291 PolarHBondContact N-O 2.97Å; H280-L291 PolarHBondContact O-N 2.91Å; V282-L291 HydrophobicContact CB-CD1 4.43Å; V282-L291 HydrophobicContact CG1-CD1 3.98Å; V282-L291 HydrophobicContact CG2-CD1 3.56Å; V282-L291 HydrophobicContact CG2-CG 3.94Å; T289-L291 HydrophobicContact CG2-CD2 4.02Å; L291-W307 HydrophobicContact CD1-CD2 4.09Å; L291-W307 HydrophobicContact CD1-CE3 3.87Å; L291-W307 HydrophobicContact CD1-CZ3 4.19Å; L291-W307 HydrophobicContact CD2-CB 4.45Å; L291-W307 HydrophobicContact CD2-CD2 3.67Å; L291-W307 HydrophobicContact CD2-CE3 4.31Å; L291-W307 HydrophobicContact CD2-CG 3.7Å; L291-W307 HydrophobicContact CD2-CZ2 4.32Å; L291-W314 HydrophobicContact CD1-CH2 4.08Å; L291-W335 HydrophobicContact CB-CE3 3.65Å; L291-W335 HydrophobicContact CB-CZ3 4.01Å; L291-W335 HydrophobicContact CD1-CE3 4.5Å; L291-M336 WeakPolarHBondContact CA-O 3.38Å |
| 292 | V | 94.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.9 | 174.6 | -173.3 | 0 | 0 | 0 | 0 | 108 | V276 V279 I294 M336 Y338 F341 | V276-V292 HydrophobicContact CG1-CG1 3.68Å; V279-V292 HydrophobicContact CG1-CB 4.47Å; V279-V292 HydrophobicContact CG1-CG1 4.21Å; V279-V292 HydrophobicContact CG1-CG2 4.17Å; V292-I294 HydrophobicContact CG1-CD1 4.49Å; V292-I294 HydrophobicContact CG1-CG1 4.05Å; V292-M336 PolarHBondContact N-O 3.31Å; V292-M336 PolarHBondContact O-N 3.31Å; V292-Y338 HydrophobicContact CG2-CD2 3.88Å; V292-F341 HydrophobicContact CG2-CB 4.49Å; V292-F341 HydrophobicContact CG2-CG 4.49Å |
| 293 | R | 93.6 | Very high | 87.9 | Confident | 49 Ų | 49 | 48.5 Ų | 48.5 | 19% | 0.185 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126.8 | 174 | -164.7 | 172.7 | 62.3 | -178.2 | -4.5 | 109.5 | T277 A278 E333 F334 W335 | T277-R293 PolarHBondContact N-O 2.67Å; T277-R293 PolarHBondContact O-NH2 2.81Å; T277-R293 WeakPolarHBondContact OG1-CG 3.24Å; T277-R293 PolarHBondContact OG1-NE 3.37Å; A278-R293 HydrophobicContact CB-CB 3.98Å; A278-R293 PolarHBondContact O-N 3.45Å; R293-E333 WeakPolarHBondContact CD-OE2 3.39Å; R293-E333 HydrophobicContact CG-CG 3.6Å; R293-E333 IonicContact CZ-OE1 3.14Å; R293-E333 IonicContact CZ-OE2 2.75Å; R293-E333 IonicContact NE-OE1 2.66Å; R293-E333 PolarHBondContact NE-OE1 3.44Å; R293-E333 IonicContact NE-OE2 2.93Å; R293-E333 PolarHBondContact NE-OE2 3.14Å; R293-E333 IonicContact NH1-OE2 3.38Å; R293-E333 PolarHBondContact NH1-OE2 3.16Å; R293-F334 WeakPolarHBondContact CA-O 3.3Å; R293-W335 HydrophobicContact CB-CD2 3.78Å; R293-W335 HydrophobicContact CB-CE3 3.68Å; R293-W335 HydrophobicContact CB-CH2 3.81Å; R293-W335 HydrophobicContact CB-CZ2 3.89Å; R293-W335 HydrophobicContact CB-CZ3 3.71Å; R293-W335 HydrophobicContact CG-CD2 4.03Å; R293-W335 HydrophobicContact CG-CE3 4.44Å; R293-W335 HydrophobicContact CG-CG 4.42Å; R293-W335 HydrophobicContact CG-CZ2 4.15Å |
| 294 | I | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 142.1 | -174.6 | -57.6 | -176.8 | 0 | 0 | 0 | 108.2 | Y274 S275 V292 E333 F334 M336 F341 F345 | Y274-I294 HydrophobicContact CD1-CG2 3.72Å; Y274-I294 HydrophobicContact CG-CG2 4Å; S275-I294 CarbonylContact O-C 3.41Å; S275-I294 VanDerWaalsContact O-CA 3.31Å; S275-I294 WeakPolarHBondContact O-CA 3.33Å; V292-I294 HydrophobicContact CG1-CD1 4.49Å; V292-I294 HydrophobicContact CG1-CG1 4.05Å; I294-E333 CarbonylContact O-C 3.3Å; I294-E333 WeakPolarHBondContact O-CA 3.47Å; I294-F334 HydrophobicContact CB-CD2 4.39Å; I294-F334 HydrophobicContact CB-CE2 3.84Å; I294-F334 HydrophobicContact CB-CZ 3.99Å; I294-F334 HydrophobicContact CD1-CE2 4.4Å; I294-F334 HydrophobicContact CG2-CE2 4.26Å; I294-F334 HydrophobicContact CG2-CZ 3.94Å; I294-F334 PolarHBondContact N-O 3.22Å; I294-F334 PolarHBondContact O-N 3.14Å; I294-M336 HydrophobicContact CD1-CG 4.14Å; I294-M336 HydrophobicContact CD1-SD 3.39Å; I294-M336 WeakPolarHBondContact CD1-SD 3.41Å; I294-M336 HydrophobicContact CG1-SD 4.5Å; I294-F341 HydrophobicContact CD1-CD2 3.57Å; I294-F341 HydrophobicContact CD1-CE2 3.85Å; I294-F345 HydrophobicContact CD1-CD2 4.25Å; I294-F345 HydrophobicContact CD1-CE1 4.5Å; I294-F345 HydrophobicContact CD1-CE2 3.53Å; I294-F345 HydrophobicContact CD1-CZ 3.68Å; I294-F345 HydrophobicContact CG2-CZ 4.21Å |
| 295 | R | 90.7 | Very high | 88.3 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.9 | 175.3 | -176.6 | 175.9 | -178.2 | -89.7 | -10.6 | 111.6 | R104 I107 A122 Y274 S275 T277 G332 E333 | R104-R295 PolarHBondContact O-NH1 2.97Å; R104-R295 PolarHBondContact O-NH2 3.03Å; I107-R295 PolarHBondContact O-NH2 3.16Å; A122-R295 VanDerWaalsContact CB-NH1 3.34Å; Y274-R295 WeakPolarHBondContact CA-O 3.31Å; S275-R295 PolarHBondContact N-O 3.11Å; S275-R295 PolarHBondContact O-N 2.94Å; T277-R295 HydrophobicContact CG2-CB 3.81Å; R295-G332 CarbonylContact C-O 3.3Å; R295-G332 WeakPolarHBondContact CA-O 3.43Å; R295-E333 HydrophobicContact CB-CB 4.42Å; R295-E333 HydrophobicContact CG-CB 4.41Å |
| 296 | N | 89.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -81.8 | 121.7 | 166.4 | -170.4 | -9.8 | 0 | 0 | 0 | 110.1 | H272 Y274 W298 G299 E300 V301 G332 | H272-N296 PolarHBondContact NE2-OD1 3.13Å; Y274-N296 HydrophobicContact CD1-CB 4.07Å; Y274-N296 HydrophobicContact CE1-CB 3.67Å; N296-W298 PolarHBondContact O-N 2.92Å; N296-W298 VanDerWaalsContact O-N 3.16Å; N296-W298 PolarHBondContact OD1-N 2.7Å; N296-W298 VanDerWaalsContact OD1-N 3.11Å; N296-G299 PolarHBondContact O-N 3.43Å; N296-E300 PolarHBondContact ND2-O 3Å; N296-V301 PolarHBondContact ND2-O 2.95Å; N296-G332 PolarHBondContact N-O 3.17Å | ||
| 297 | P | 82.9 | Confident | 89 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -8.2 | 177.3 | 28.3 | -37.2 | 0 | 0 | 0 | 114.7 | Q109 C115 L118 A119 H272 A273 G299 | Q109-P297 PolarHBondContact N-O 2.62Å; C115-P297 HydrophobicContact CB-CG 4.45Å; L118-P297 HydrophobicContact CB-CB 3.77Å; A119-P297 HydrophobicContact CB-CG 4.28Å; H272-P297 WeakPolarHBondContact NE2-CD 3.18Å; H272-P297 WeakPolarHBondContact NE2-CG 3.44Å; A273-P297 WeakPolarHBondContact O-CD 3.24Å; A273-P297 VanDerWaalsContact O-CG 3.23Å; A273-P297 WeakPolarHBondContact O-CG 3.43Å; P297-G299 PolarHBondContact O-N 2.73Å |
| 298 | W | 81.1 | Confident | 89 | Confident | 50 Ų | 50 | 30.9 Ų | 30.9 | 19% | 0.189 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.9 | 168.1 | -68 | -5.3 | 0 | 0 | 0 | 112.3 | E261 V269 H272 N296 E300 V301 | E261-W298 HydrophobicContact CB-CZ2 4.39Å; E261-W298 HydrophobicContact CG-CZ2 4.42Å; V269-W298 HydrophobicContact CB-CH2 4.37Å; V269-W298 HydrophobicContact CG1-CH2 3.65Å; V269-W298 HydrophobicContact CG1-CZ2 4.03Å; V269-W298 HydrophobicContact CG1-CZ3 4.31Å; V269-W298 HydrophobicContact CG2-CE3 4.1Å; V269-W298 HydrophobicContact CG2-CH2 3.76Å; V269-W298 HydrophobicContact CG2-CZ2 4.49Å; V269-W298 HydrophobicContact CG2-CZ3 3.53Å; H272-W298 AromaticContact CE1-CD1 3.56Å; H272-W298 AromaticContact CE1-CE2 3.72Å; H272-W298 AromaticContact CE1-NE1 3.17Å; H272-W298 PolarHBondContact CE1-NE1 3.42Å; H272-W298 AromaticContact ND1-NE1 3.92Å; H272-W298 AromaticContact NE2-CD1 3.86Å; H272-W298 AromaticContact NE2-NE1 3.78Å; N296-W298 PolarHBondContact O-N 2.92Å; N296-W298 VanDerWaalsContact O-N 3.16Å; N296-W298 PolarHBondContact OD1-N 2.7Å; N296-W298 VanDerWaalsContact OD1-N 3.11Å; W298-E300 HydrophobicContact CB-CG 4.1Å; W298-E300 PolarHBondContact O-N 2.89Å; W298-V301 HydrophobicContact CE3-CB 4.37Å; W298-V301 HydrophobicContact CE3-CG2 4.24Å |
| 299 | G | 80 | Confident | 88.9 | Confident | 13 Ų | 13 | 26.3 Ų | 26.3 | 13% | 0.134 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 74.1 | 9.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N296 P297 D331 G332 | N296-G299 PolarHBondContact O-N 3.43Å; P297-G299 PolarHBondContact O-N 2.73Å; G299-D331 WeakPolarHBondContact CA-O 3.46Å; G299-D331 CarbonylContact O-C 3.58Å; G299-D331 VanDerWaalsContact O-C 3.25Å; G299-D331 WeakPolarHBondContact O-CA 3.48Å; G299-G332 PolarHBondContact O-N 3.09Å |
| 300 | E | 79.5 | Confident | 88.7 | Confident | 116 Ų | 116 | 31.2 Ų | 31.2 | 54% | 0.542 | 17% | 0.167 | S | C | . | . | trans | -152.3 | 172.9 | 178.5 | 56.4 | 175.5 | -171.1 | 0 | 0 | 109.7 | N296 W298 E330 | N296-E300 PolarHBondContact ND2-O 3Å; W298-E300 HydrophobicContact CB-CG 4.1Å; W298-E300 PolarHBondContact O-N 2.89Å; E300-E330 HydrophobicContact CB-CG 4.4Å | ||
| 301 | V | 84.9 | Confident | 88.4 | Confident | 35 Ų | 35 | 28.1 Ų | 28.1 | 21% | 0.212 | 16% | 0.155 | C | C | . | . | trans | 67.9 | 88.8 | 179.5 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | V263 K267 N296 W298 E330 | V263-V301 HydrophobicContact CG1-CG1 4.33Å; K267-V301 HydrophobicContact CB-CG1 4.08Å; K267-V301 WeakPolarHBondContact O-CG1 3.21Å; N296-V301 PolarHBondContact ND2-O 2.95Å; W298-V301 HydrophobicContact CE3-CB 4.37Å; W298-V301 HydrophobicContact CE3-CG2 4.24Å; V301-E330 WeakPolarHBondContact CA-OE1 3.34Å; V301-E330 PolarHBondContact N-OE1 2.8Å | ||
| 302 | E | 89.6 | Confident | 88.1 | Confident | 15 Ų | 15 | 38 Ų | 38 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | trans | -108.3 | 157.3 | -175.7 | -66.8 | 171.6 | -170.1 | 0 | 0 | 114.6 | K267 T304 S329 E330 D331 G332 F334 | K267-E302 WeakPolarHBondContact CB-O 3.46Å; E302-T304 PolarHBondContact O-N 2.98Å; E302-S329 VanDerWaalsContact OE1-O 3.1Å; E302-E330 WeakPolarHBondContact OE1-CA 3.37Å; E302-D331 PolarHBondContact OE1-N 3.01Å; E302-G332 PolarHBondContact OE1-N 3.45Å; E302-F334 HydrophobicContact CB-CB 4.49Å; E302-F334 HydrophobicContact CB-CD1 4.08Å; E302-F334 HydrophobicContact CG-CD1 4.18Å | ||
| 303 | W | 91.8 | Very high | 87.7 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | trans | -53.4 | 131.6 | 174.9 | 170.3 | -111.5 | 0 | 0 | 0 | 112.9 | K266 L268 G305 A306 S308 F334 M336 D340 E344 | K266-W303 HydrophobicContact CB-CE3 3.79Å; K266-W303 HydrophobicContact CB-CH2 4.39Å; K266-W303 HydrophobicContact CB-CZ3 3.55Å; K266-W303 HydrophobicContact CD-CE3 4.21Å; K266-W303 HydrophobicContact CD-CH2 3.27Å; K266-W303 HydrophobicContact CD-CZ2 4.25Å; K266-W303 HydrophobicContact CD-CZ3 3.24Å; K266-W303 HydrophobicContact CG-CH2 4.45Å; K266-W303 HydrophobicContact CG-CZ3 4.04Å; L268-W303 HydrophobicContact CD1-CE3 3.77Å; L268-W303 HydrophobicContact CD1-CZ3 3.61Å; L268-W303 HydrophobicContact CD2-CB 4.47Å; L268-W303 HydrophobicContact CD2-CE3 3.96Å; L268-W303 HydrophobicContact CG-CE3 3.75Å; L268-W303 HydrophobicContact CG-CZ3 4.06Å; W303-G305 VanDerWaalsContact NE1-CA 3.31Å; W303-A306 PolarHBondContact NE1-O 2.72Å; W303-S308 WeakPolarHBondContact O-CB 3.48Å; W303-F334 HydrophobicContact CB-CB 4.19Å; W303-F334 HydrophobicContact CB-CD1 4.11Å; W303-F334 HydrophobicContact CB-CD2 3.28Å; W303-F334 HydrophobicContact CB-CE1 4.31Å; W303-F334 HydrophobicContact CB-CE2 3.54Å; W303-F334 HydrophobicContact CB-CG 3.59Å; W303-F334 HydrophobicContact CB-CZ 4.05Å; W303-F334 HydrophobicContact CG-CD2 4.04Å; W303-F334 HydrophobicContact CG-CE2 4.29Å; W303-M336 HydrophobicContact CD2-CE 4.42Å; W303-M336 HydrophobicContact CE3-CE 4.4Å; W303-M336 HydrophobicContact CH2-CE 4.03Å; W303-M336 HydrophobicContact CZ2-CE 4.1Å; W303-M336 HydrophobicContact CZ3-CE 4.19Å; W303-D340 HydrophobicContact CH2-CB 4.45Å; W303-D340 HydrophobicContact CZ2-CB 4.25Å; W303-E344 HydrophobicContact CH2-CG 3.94Å; W303-E344 HydrophobicContact CZ3-CG 4.02Å | ||
| 304 | T | 89.9 | Confident | 87.4 | Confident | 74 Ų | 74 | 38 Ų | 38 | 45% | 0.454 | 20% | 0.195 | S | C | . | . | trans | -104 | 3.7 | 179.8 | 56.8 | 0 | 0 | 0 | 0 | 114.5 | K266 K267 E302 | K266-T304 WeakPolarHBondContact CA-OG1 3.44Å; K266-T304 PolarHBondContact O-N 3.21Å; K266-T304 PolarHBondContact O-OG1 3.26Å; K267-T304 HydrophobicContact CB-CG2 4.24Å; K267-T304 HydrophobicContact CD-CG2 3.58Å; K267-T304 HydrophobicContact CG-CG2 3.78Å; E302-T304 PolarHBondContact O-N 2.98Å | ||
| 305 | G | 89.9 | Confident | 87.1 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -84.6 | -161.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | W303 S308 S311 | W303-G305 VanDerWaalsContact NE1-CA 3.31Å; G305-S308 VanDerWaalsContact O-CB 3.25Å; G305-S308 WeakPolarHBondContact O-CB 3.36Å; G305-S308 PolarHBondContact O-N 2.63Å; G305-S308 PolarHBondContact O-OG 3.34Å; G305-S311 PolarHBondContact O-OG 2.72Å |
| 306 | A | 89.4 | Confident | 86.8 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 24% | 0.24 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 140.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | W303 S308 E313 | W303-A306 PolarHBondContact NE1-O 2.72Å; A306-S308 PolarHBondContact O-N 2.98Å; A306-E313 HydrophobicContact CB-CG 4.37Å |
| 307 | W | 90.9 | Very high | 86.6 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 4% | 0.038 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 4.9 | -177.9 | -53 | 99.4 | 0 | 0 | 0 | 116.3 | V282 Y284 T289 L291 S311 E313 W314 V317 W335 | V282-W307 HydrophobicContact CG2-CH2 3.88Å; V282-W307 HydrophobicContact CG2-CZ2 4.42Å; V282-W307 HydrophobicContact CG2-CZ3 4.23Å; Y284-W307 HydrophobicContact CD1-CZ2 4.15Å; Y284-W307 AromaticContact CD2-CH2 3.6Å; Y284-W307 HydrophobicContact CD2-CH2 3.6Å; Y284-W307 AromaticContact CD2-CZ2 3.91Å; Y284-W307 HydrophobicContact CD2-CZ2 3.91Å; Y284-W307 HydrophobicContact CE2-CH2 4.3Å; Y284-W307 HydrophobicContact CE2-CZ2 4.44Å; Y284-W307 AromaticContact CG-CH2 3.79Å; Y284-W307 HydrophobicContact CG-CH2 3.79Å; Y284-W307 AromaticContact CG-CZ2 3.75Å; Y284-W307 HydrophobicContact CG-CZ2 3.75Å; T289-W307 HydrophobicContact CG2-CZ2 4.12Å; L291-W307 HydrophobicContact CD1-CD2 4.09Å; L291-W307 HydrophobicContact CD1-CE3 3.87Å; L291-W307 HydrophobicContact CD1-CZ3 4.19Å; L291-W307 HydrophobicContact CD2-CB 4.45Å; L291-W307 HydrophobicContact CD2-CD2 3.67Å; L291-W307 HydrophobicContact CD2-CE3 4.31Å; L291-W307 HydrophobicContact CD2-CG 3.7Å; L291-W307 HydrophobicContact CD2-CZ2 4.32Å; W307-S311 PolarHBondContact N-OG 3.45Å; W307-E313 HydrophobicContact CD2-CB 4.02Å; W307-E313 HydrophobicContact CE3-CB 4.03Å; W307-E313 HydrophobicContact CH2-CB 4.17Å; W307-E313 HydrophobicContact CZ2-CB 4.17Å; W307-E313 HydrophobicContact CZ3-CB 4.1Å; W307-W314 AromaticContact CE3-CD2 3.94Å; W307-W314 HydrophobicContact CE3-CD2 3.94Å; W307-W314 AromaticContact CE3-CE2 3.86Å; W307-W314 HydrophobicContact CE3-CE3 4.15Å; W307-W314 HydrophobicContact CE3-CH2 4.22Å; W307-W314 HydrophobicContact CE3-CZ2 4.02Å; W307-W314 HydrophobicContact CE3-CZ3 4.28Å; W307-W314 HydrophobicContact CZ3-CD2 4.15Å; W307-W314 HydrophobicContact CZ3-CE3 4.01Å; W307-W314 HydrophobicContact CZ3-CZ3 4.24Å; W307-W314 PolarHBondContact O-NE1 3.35Å; W307-V317 HydrophobicContact CH2-CG2 3.76Å; W307-V317 HydrophobicContact CZ3-CG2 3.63Å; W307-W335 CarbonylContact C-O 3.53Å; W307-W335 VanDerWaalsContact C-O 3.3Å; W307-W335 HydrophobicContact CB-CB 4.25Å |
| 308 | S | 89.7 | Confident | 86.7 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -55 | 163.9 | 165.7 | 59 | 0 | 0 | 0 | 0 | 112.9 | W303 G305 A306 N310 S311 W314 | W303-S308 WeakPolarHBondContact O-CB 3.48Å; G305-S308 VanDerWaalsContact O-CB 3.25Å; G305-S308 WeakPolarHBondContact O-CB 3.36Å; G305-S308 PolarHBondContact O-N 2.63Å; G305-S308 PolarHBondContact O-OG 3.34Å; A306-S308 PolarHBondContact O-N 2.98Å; S308-N310 PolarHBondContact O-N 3.32Å; S308-N310 VanDerWaalsContact O-N 3.07Å; S308-S311 WeakPolarHBondContact O-CB 3.41Å; S308-S311 PolarHBondContact O-N 3.06Å; S308-S311 WeakPolarHBondContact OG-CB 3.44Å; S308-W314 VanDerWaalsContact O-CD1 3.32Å; S308-W314 PolarHBondContact O-NE1 2.71Å; S308-W314 VanDerWaalsContact O-NE1 3.09Å |
| 309 | D | 86.8 | Confident | 86.7 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -34.4 | -178 | -82.2 | 25.9 | 0 | 0 | 0 | 113.9 | Q326 K327 R328 S329 | D309-Q326 PolarHBondContact O-NE2 3.39Å; D309-K327 VanDerWaalsContact CG-O 3.28Å; D309-R328 WeakPolarHBondContact OD2-CA 3.44Å; D309-S329 PolarHBondContact OD2-N 2.75Å |
| 310 | N | 85.9 | Confident | 86.8 | Confident | 133 Ų | 133 | 53.4 Ų | 53.4 | 71% | 0.711 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 10.4 | -179.5 | -64.9 | -54.9 | 0 | 0 | 0 | 113.7 | S308 | S308-N310 PolarHBondContact O-N 3.32Å; S308-N310 VanDerWaalsContact O-N 3.07Å |
| 311 | S | 88.4 | Confident | 86.9 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | trans | -70.1 | 142.9 | -176.6 | -140 | 0 | 0 | 0 | 0 | 112.3 | G305 W307 S308 E313 | G305-S311 PolarHBondContact O-OG 2.72Å; W307-S311 PolarHBondContact N-OG 3.45Å; S308-S311 WeakPolarHBondContact O-CB 3.41Å; S308-S311 PolarHBondContact O-N 3.06Å; S308-S311 WeakPolarHBondContact OG-CB 3.44Å; S311-E313 VanDerWaalsContact C-N 3.26Å; S311-E313 VanDerWaalsContact CB-OE2 3.29Å; S311-E313 WeakPolarHBondContact CB-OE2 3.46Å; S311-E313 PolarHBondContact O-N 3.03Å; S311-E313 VanDerWaalsContact OG-CD 3.27Å; S311-E313 PolarHBondContact OG-OE2 3.41Å | ||
| 312 | R | 87.2 | Confident | 86.8 | Confident | 207 Ų | 207 | 50.6 Ų | 50.6 | 78% | 0.781 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -75.7 | -16.1 | 178.7 | -64.8 | -177.6 | -178.4 | -179.7 | 0.2 | 113 | W314 D315 | R312-W314 PolarHBondContact O-N 3Å; R312-D315 VanDerWaalsContact O-CB 3.27Å; R312-D315 WeakPolarHBondContact O-CB 3.41Å; R312-D315 PolarHBondContact O-N 2.71Å |
| 313 | E | 87.3 | Confident | 86.4 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 23% | 0.229 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -58.1 | -36.3 | 178.5 | -72.9 | 77.2 | 173 | 0 | 0 | 110.7 | Y284 A306 W307 S311 D315 S316 | Y284-E313 HydrophobicContact CE2-CB 4.11Å; Y284-E313 HydrophobicContact CE2-CG 4.42Å; Y284-E313 WeakPolarHBondContact CE2-O 3.36Å; A306-E313 HydrophobicContact CB-CG 4.37Å; W307-E313 HydrophobicContact CD2-CB 4.02Å; W307-E313 HydrophobicContact CE3-CB 4.03Å; W307-E313 HydrophobicContact CH2-CB 4.17Å; W307-E313 HydrophobicContact CZ2-CB 4.17Å; W307-E313 HydrophobicContact CZ3-CB 4.1Å; S311-E313 VanDerWaalsContact C-N 3.26Å; S311-E313 VanDerWaalsContact CB-OE2 3.29Å; S311-E313 WeakPolarHBondContact CB-OE2 3.46Å; S311-E313 PolarHBondContact O-N 3.03Å; S311-E313 VanDerWaalsContact OG-CD 3.27Å; S311-E313 PolarHBondContact OG-OE2 3.41Å; E313-D315 PolarHBondContact O-N 2.91Å; E313-S316 PolarHBondContact O-N 2.78Å; E313-S316 VanDerWaalsContact O-N 3.15Å |
| 314 | W | 87.1 | Confident | 86 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -60.9 | -24.4 | 174.1 | -68.9 | 113.4 | 0 | 0 | 0 | 113.9 | L291 W307 S308 R312 S316 V317 R322 L325 Q326 W335 | L291-W314 HydrophobicContact CD1-CH2 4.08Å; W307-W314 AromaticContact CE3-CD2 3.94Å; W307-W314 HydrophobicContact CE3-CD2 3.94Å; W307-W314 AromaticContact CE3-CE2 3.86Å; W307-W314 HydrophobicContact CE3-CE3 4.15Å; W307-W314 HydrophobicContact CE3-CH2 4.22Å; W307-W314 HydrophobicContact CE3-CZ2 4.02Å; W307-W314 HydrophobicContact CE3-CZ3 4.28Å; W307-W314 HydrophobicContact CZ3-CD2 4.15Å; W307-W314 HydrophobicContact CZ3-CE3 4.01Å; W307-W314 HydrophobicContact CZ3-CZ3 4.24Å; W307-W314 PolarHBondContact O-NE1 3.35Å; S308-W314 VanDerWaalsContact O-CD1 3.32Å; S308-W314 PolarHBondContact O-NE1 2.71Å; S308-W314 VanDerWaalsContact O-NE1 3.09Å; R312-W314 PolarHBondContact O-N 3Å; W314-S316 PolarHBondContact O-N 2.88Å; W314-V317 HydrophobicContact CE3-CG2 4.36Å; W314-V317 PolarHBondContact O-N 2.89Å; W314-R322 WeakPolarHBondContact O-CD 3.31Å; W314-L325 HydrophobicContact CH2-CB 3.9Å; W314-L325 HydrophobicContact CZ3-CB 3.98Å; W314-L325 HydrophobicContact CZ3-CD1 4.47Å; W314-Q326 VanDerWaalsContact CD1-NE2 3.32Å; W314-Q326 HydrophobicContact CD2-CB 4.14Å; W314-Q326 HydrophobicContact CD2-CG 4.35Å; W314-Q326 HydrophobicContact CE3-CB 4.28Å; W314-Q326 HydrophobicContact CG-CG 4.29Å; W314-W335 HydrophobicContact CH2-CB 4.44Å; W314-W335 HydrophobicContact CH2-CG 4.1Å; W314-W335 HydrophobicContact CZ2-CB 3.85Å; W314-W335 AromaticContact CZ2-CD1 3.72Å; W314-W335 AromaticContact CZ2-CG 3.84Å; W314-W335 HydrophobicContact CZ2-CG 3.84Å |
| 315 | D | 86 | Confident | 85.6 | Confident | 95 Ų | 95 | 59 Ų | 59 | 51% | 0.508 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -70.3 | -17.9 | 178.6 | -59.5 | -35.9 | 0 | 0 | 0 | 113 | R312 E313 R322 | R312-D315 VanDerWaalsContact O-CB 3.27Å; R312-D315 WeakPolarHBondContact O-CB 3.41Å; R312-D315 PolarHBondContact O-N 2.71Å; E313-D315 PolarHBondContact O-N 2.91Å; D315-R322 IonicContact OD1-CZ 2.66Å; D315-R322 IonicContact OD1-NH1 2.85Å; D315-R322 PolarHBondContact OD1-NH1 3.28Å; D315-R322 IonicContact OD1-NH2 2.72Å; D315-R322 PolarHBondContact OD1-NH2 2.86Å |
| 316 | S | 84.4 | Confident | 85.2 | Confident | 51 Ų | 51 | 59.3 Ų | 59.3 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -98.3 | 4.4 | 177.1 | -50.1 | 0 | 0 | 0 | 0 | 113.6 | E313 W314 | E313-S316 PolarHBondContact O-N 2.78Å; E313-S316 VanDerWaalsContact O-N 3.15Å; W314-S316 PolarHBondContact O-N 2.88Å |
| 317 | V | 86.4 | Confident | 84.7 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -95.6 | 149.2 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | W307 W314 T321 | W307-V317 HydrophobicContact CH2-CG2 3.76Å; W307-V317 HydrophobicContact CZ3-CG2 3.63Å; W314-V317 HydrophobicContact CE3-CG2 4.36Å; W314-V317 PolarHBondContact O-N 2.89Å; V317-T321 HydrophobicContact CG1-CG2 4.05Å |
| 318 | D | 84.1 | Confident | 84.1 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | trans | -54 | 139.9 | 175.9 | -175.9 | 74.6 | 0 | 0 | 0 | 112 | S320 T321 R322 | D318-S320 VanDerWaalsContact C-N 3.25Å; D318-S320 PolarHBondContact O-N 2.75Å; D318-S320 WeakPolarHBondContact OD2-CB 3.34Å; D318-S320 PolarHBondContact OD2-N 3.06Å; D318-S320 PolarHBondContact OD2-OG 3.31Å; D318-T321 PolarHBondContact O-N 2.64Å; D318-R322 VanDerWaalsContact O-CB 3.27Å; D318-R322 WeakPolarHBondContact O-CB 3.46Å; D318-R322 PolarHBondContact O-N 3.28Å | ||
| 319 | G | 81.8 | Confident | 83.6 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 45% | 0.454 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61 | -30.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S323 | G319-S323 WeakPolarHBondContact O-CB 3.47Å; G319-S323 PolarHBondContact O-N 3.23Å; G319-S323 VanDerWaalsContact O-N 3.09Å; G319-S323 PolarHBondContact O-OG 3.49Å |
| 320 | S | 81.9 | Confident | 83.3 | Confident | 83 Ų | 83 | 76.1 Ų | 76.1 | 58% | 0.58 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.8 | -51 | 178.1 | 67.6 | 0 | 0 | 0 | 0 | 111.4 | D318 R322 S323 Q324 | D318-S320 VanDerWaalsContact C-N 3.25Å; D318-S320 PolarHBondContact O-N 2.75Å; D318-S320 WeakPolarHBondContact OD2-CB 3.34Å; D318-S320 PolarHBondContact OD2-N 3.06Å; D318-S320 PolarHBondContact OD2-OG 3.31Å; S320-R322 VanDerWaalsContact C-N 3.34Å; S320-R322 PolarHBondContact O-N 3.25Å; S320-S323 PolarHBondContact O-N 3.08Å; S320-Q324 PolarHBondContact O-N 3.01Å |
| 321 | T | 82 | Confident | 83 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 22% | 0.221 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 176.2 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | V282 V317 D318 S323 Q324 L325 | V282-T321 HydrophobicContact CG1-CG2 4.16Å; V317-T321 HydrophobicContact CG1-CG2 4.05Å; D318-T321 PolarHBondContact O-N 2.64Å; T321-S323 PolarHBondContact O-N 2.87Å; T321-Q324 PolarHBondContact O-N 3.27Å; T321-L325 HydrophobicContact CG2-CD1 3.63Å; T321-L325 HydrophobicContact CG2-CG 4.21Å; T321-L325 WeakPolarHBondContact O-CG 3.35Å; T321-L325 PolarHBondContact O-N 3.48Å |
| 322 | R | 83.3 | Confident | 82.8 | Confident | 55 Ų | 55 | 70.1 Ų | 70.1 | 21% | 0.208 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59 | -47.4 | 175.9 | -179.1 | -174.1 | 179.1 | 158.7 | 12.2 | 111.6 | W314 D315 D318 S320 Q324 L325 Q326 | W314-R322 WeakPolarHBondContact O-CD 3.31Å; D315-R322 IonicContact OD1-CZ 2.66Å; D315-R322 IonicContact OD1-NH1 2.85Å; D315-R322 PolarHBondContact OD1-NH1 3.28Å; D315-R322 IonicContact OD1-NH2 2.72Å; D315-R322 PolarHBondContact OD1-NH2 2.86Å; D318-R322 VanDerWaalsContact O-CB 3.27Å; D318-R322 WeakPolarHBondContact O-CB 3.46Å; D318-R322 PolarHBondContact O-N 3.28Å; S320-R322 VanDerWaalsContact C-N 3.34Å; S320-R322 PolarHBondContact O-N 3.25Å; R322-Q324 PolarHBondContact O-N 3.03Å; R322-L325 PolarHBondContact O-N 3.34Å; R322-Q326 HydrophobicContact CG-CB 4.24Å; R322-Q326 WeakPolarHBondContact O-CA 3.25Å; R322-Q326 VanDerWaalsContact O-CB 3.22Å; R322-Q326 WeakPolarHBondContact O-CB 3.47Å; R322-Q326 PolarHBondContact O-N 3.15Å |
| 323 | S | 80.7 | Confident | 82.9 | Confident | 103 Ų | 103 | 61 Ų | 61 | 72% | 0.72 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.2 | -26.3 | -178.6 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | G319 S320 T321 | G319-S323 WeakPolarHBondContact O-CB 3.47Å; G319-S323 PolarHBondContact O-N 3.23Å; G319-S323 VanDerWaalsContact O-N 3.09Å; G319-S323 PolarHBondContact O-OG 3.49Å; S320-S323 PolarHBondContact O-N 3.08Å; T321-S323 PolarHBondContact O-N 2.87Å |
| 324 | Q | 82.6 | Confident | 83.2 | Confident | 152 Ų | 152 | 58.8 Ų | 58.8 | 71% | 0.71 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -80.6 | -39 | 177.2 | -173.7 | 179.6 | 3.4 | 0 | 0 | 112.9 | S320 T321 R322 | S320-Q324 PolarHBondContact O-N 3.01Å; T321-Q324 PolarHBondContact O-N 3.27Å; R322-Q324 PolarHBondContact O-N 3.03Å |
| 325 | L | 82.7 | Confident | 83.5 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -96.9 | -35.3 | -171.8 | -59.5 | -178.2 | 0 | 0 | 0 | 113.5 | H280 V282 W314 T321 R322 K327 W335 | H280-L325 HydrophobicContact CB-CD1 4.3Å; V282-L325 HydrophobicContact CG1-CD1 3.71Å; W314-L325 HydrophobicContact CH2-CB 3.9Å; W314-L325 HydrophobicContact CZ3-CB 3.98Å; W314-L325 HydrophobicContact CZ3-CD1 4.47Å; T321-L325 HydrophobicContact CG2-CD1 3.63Å; T321-L325 HydrophobicContact CG2-CG 4.21Å; T321-L325 WeakPolarHBondContact O-CG 3.35Å; T321-L325 PolarHBondContact O-N 3.48Å; R322-L325 PolarHBondContact O-N 3.34Å; L325-K327 PolarHBondContact O-N 3.22Å; L325-W335 HydrophobicContact CB-CZ2 4.29Å; L325-W335 HydrophobicContact CD2-CH2 4.22Å; L325-W335 HydrophobicContact CD2-CZ2 3.79Å; L325-W335 HydrophobicContact CG-CZ2 4.49Å; L325-W335 PolarHBondContact O-NE1 3.35Å |
| 326 | Q | 80.2 | Confident | 84 | Confident | 25 Ų | 25 | 54.6 Ų | 54.6 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | trans | -87.7 | 102.2 | -178.8 | -173.3 | 178 | 30.3 | 0 | 0 | 109.9 | D309 W314 R322 R328 | D309-Q326 PolarHBondContact O-NE2 3.39Å; W314-Q326 VanDerWaalsContact CD1-NE2 3.32Å; W314-Q326 HydrophobicContact CD2-CB 4.14Å; W314-Q326 HydrophobicContact CD2-CG 4.35Å; W314-Q326 HydrophobicContact CE3-CB 4.28Å; W314-Q326 HydrophobicContact CG-CG 4.29Å; R322-Q326 HydrophobicContact CG-CB 4.24Å; R322-Q326 WeakPolarHBondContact O-CA 3.25Å; R322-Q326 VanDerWaalsContact O-CB 3.22Å; R322-Q326 WeakPolarHBondContact O-CB 3.47Å; R322-Q326 PolarHBondContact O-N 3.15Å; Q326-R328 HydrophobicContact CG-CG 4.37Å | ||
| 327 | K | 78.9 | Confident | 84.4 | Confident | 116 Ų | 116 | 52.9 Ų | 52.9 | 50% | 0.504 | 28% | 0.281 | S | S | . | . | trans | -91 | 147.9 | 158.5 | -157.2 | -179.7 | 170.4 | -157.5 | 0 | 107.4 | D309 L325 S329 D331 | D309-K327 VanDerWaalsContact CG-O 3.28Å; L325-K327 PolarHBondContact O-N 3.22Å; K327-S329 VanDerWaalsContact CD-OG 3.28Å; K327-S329 WeakPolarHBondContact CD-OG 3.3Å; K327-S329 WeakPolarHBondContact CE-OG 3.08Å; K327-S329 WeakPolarHBondContact CG-OG 3.24Å; K327-D331 IonicContact NZ-OD2 3.41Å; K327-D331 PolarHBondContact NZ-OD2 3.12Å | ||
| 328 | R | 78.9 | Confident | 84.8 | Confident | 154 Ų | 154 | 53.6 Ų | 53.6 | 58% | 0.581 | 28% | 0.283 | S | S | * | . | trans | -119.1 | 86 | 173.2 | -72 | -174.3 | 177.5 | 173.1 | -1.7 | 107.6 | D309 Q326 | D309-R328 WeakPolarHBondContact OD2-CA 3.44Å; Q326-R328 HydrophobicContact CG-CG 4.37Å | ||
| 329 | S | 80.3 | Confident | 85.1 | Confident | 33 Ų | 33 | 52.8 Ų | 52.8 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | trans | -152.7 | 132 | -176.9 | 46.3 | 0 | 0 | 0 | 0 | 108.6 | E302 D309 K327 D331 | E302-S329 VanDerWaalsContact OE1-O 3.1Å; D309-S329 PolarHBondContact OD2-N 2.75Å; K327-S329 VanDerWaalsContact CD-OG 3.28Å; K327-S329 WeakPolarHBondContact CD-OG 3.3Å; K327-S329 WeakPolarHBondContact CE-OG 3.08Å; K327-S329 WeakPolarHBondContact CG-OG 3.24Å; S329-D331 VanDerWaalsContact C-N 3.25Å; S329-D331 PolarHBondContact O-N 2.99Å; S329-D331 PolarHBondContact OG-OD2 3.38Å | ||
| 330 | E | 79.2 | Confident | 85.7 | Confident | 118 Ų | 118 | 51.7 Ų | 51.7 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | trans | -75 | 85.7 | 170.4 | -169.4 | 86.1 | -154 | 0 | 0 | 108 | E300 V301 E302 | E300-E330 HydrophobicContact CB-CG 4.4Å; V301-E330 WeakPolarHBondContact CA-OE1 3.34Å; V301-E330 PolarHBondContact N-OE1 2.8Å; E302-E330 WeakPolarHBondContact OE1-CA 3.37Å | ||
| 331 | D | 80.8 | Confident | 86.3 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 10% | 0.102 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -124.4 | 7.3 | 178.7 | 66.5 | 16.3 | 0 | 0 | 0 | 112.6 | T105 G299 E302 K327 S329 E333 | T105-D331 HydrophobicContact CG2-CB 4.2Å; G299-D331 WeakPolarHBondContact CA-O 3.46Å; G299-D331 CarbonylContact O-C 3.58Å; G299-D331 VanDerWaalsContact O-C 3.25Å; G299-D331 WeakPolarHBondContact O-CA 3.48Å; E302-D331 PolarHBondContact OE1-N 3.01Å; K327-D331 IonicContact NZ-OD2 3.41Å; K327-D331 PolarHBondContact NZ-OD2 3.12Å; S329-D331 VanDerWaalsContact C-N 3.25Å; S329-D331 PolarHBondContact O-N 2.99Å; S329-D331 PolarHBondContact OG-OD2 3.38Å; D331-E333 VanDerWaalsContact C-N 3.25Å; D331-E333 PolarHBondContact O-N 2.68Å; D331-E333 VanDerWaalsContact OD1-CB 3.23Å; D331-E333 WeakPolarHBondContact OD1-CB 3.22Å; D331-E333 PolarHBondContact OD1-N 3.36Å |
| 332 | G | 83.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 82.3 | -3.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R295 N296 G299 E302 | R295-G332 CarbonylContact C-O 3.3Å; R295-G332 WeakPolarHBondContact CA-O 3.43Å; N296-G332 PolarHBondContact N-O 3.17Å; G299-G332 PolarHBondContact O-N 3.09Å; E302-G332 PolarHBondContact OE1-N 3.45Å |
| 333 | E | 89.7 | Confident | 87.2 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 129.2 | 179.1 | -171.4 | 166.7 | -102.2 | 0 | 0 | 111.6 | R104 T277 R293 I294 R295 D331 | R104-E333 IonicContact CZ-OE1 3.47Å; R104-E333 IonicContact CZ-OE2 3.32Å; R104-E333 IonicContact NE-OE1 2.84Å; R104-E333 PolarHBondContact NE-OE1 3.49Å; R104-E333 IonicContact NE-OE2 2.74Å; R104-E333 IonicContact NH2-OE1 2.98Å; R104-E333 PolarHBondContact NH2-OE1 3.44Å; R104-E333 IonicContact NH2-OE2 3.81Å; R104-E333 PolarHBondContact NH2-OE2 2.95Å; T277-E333 PolarHBondContact OG1-OE1 3.42Å; R293-E333 WeakPolarHBondContact CD-OE2 3.39Å; R293-E333 HydrophobicContact CG-CG 3.6Å; R293-E333 IonicContact CZ-OE1 3.14Å; R293-E333 IonicContact CZ-OE2 2.75Å; R293-E333 IonicContact NE-OE1 2.66Å; R293-E333 PolarHBondContact NE-OE1 3.44Å; R293-E333 IonicContact NE-OE2 2.93Å; R293-E333 PolarHBondContact NE-OE2 3.14Å; R293-E333 IonicContact NH1-OE2 3.38Å; R293-E333 PolarHBondContact NH1-OE2 3.16Å; I294-E333 CarbonylContact O-C 3.3Å; I294-E333 WeakPolarHBondContact O-CA 3.47Å; R295-E333 HydrophobicContact CB-CB 4.42Å; R295-E333 HydrophobicContact CG-CB 4.41Å; D331-E333 VanDerWaalsContact C-N 3.25Å; D331-E333 PolarHBondContact O-N 2.68Å; D331-E333 VanDerWaalsContact OD1-CB 3.23Å; D331-E333 WeakPolarHBondContact OD1-CB 3.22Å; D331-E333 PolarHBondContact OD1-N 3.36Å |
| 334 | F | 92.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 156.4 | 179.5 | 55.8 | -94.7 | 0 | 0 | 0 | 111.7 | L268 Y274 R293 I294 E302 W303 M336 | L268-F334 HydrophobicContact CD2-CE2 4.13Å; L268-F334 HydrophobicContact CD2-CZ 3.67Å; Y274-F334 HydrophobicContact CD1-CZ 4.49Å; Y274-F334 HydrophobicContact CE1-CE1 4.28Å; Y274-F334 HydrophobicContact CE1-CZ 4.28Å; R293-F334 WeakPolarHBondContact CA-O 3.3Å; I294-F334 HydrophobicContact CB-CD2 4.39Å; I294-F334 HydrophobicContact CB-CE2 3.84Å; I294-F334 HydrophobicContact CB-CZ 3.99Å; I294-F334 HydrophobicContact CD1-CE2 4.4Å; I294-F334 HydrophobicContact CG2-CE2 4.26Å; I294-F334 HydrophobicContact CG2-CZ 3.94Å; I294-F334 PolarHBondContact N-O 3.22Å; I294-F334 PolarHBondContact O-N 3.14Å; E302-F334 HydrophobicContact CB-CB 4.49Å; E302-F334 HydrophobicContact CB-CD1 4.08Å; E302-F334 HydrophobicContact CG-CD1 4.18Å; W303-F334 HydrophobicContact CB-CB 4.19Å; W303-F334 HydrophobicContact CB-CD1 4.11Å; W303-F334 HydrophobicContact CB-CD2 3.28Å; W303-F334 HydrophobicContact CB-CE1 4.31Å; W303-F334 HydrophobicContact CB-CE2 3.54Å; W303-F334 HydrophobicContact CB-CG 3.59Å; W303-F334 HydrophobicContact CB-CZ 4.05Å; W303-F334 HydrophobicContact CG-CD2 4.04Å; W303-F334 HydrophobicContact CG-CE2 4.29Å; F334-M336 HydrophobicContact CE2-SD 4.39Å |
| 335 | W | 94.3 | Very high | 88.2 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 145.9 | 169.7 | -68.5 | 92.4 | 0 | 0 | 0 | 111.1 | A278 H280 L291 R293 W307 W314 L325 | A278-W335 HydrophobicContact CB-CH2 3.94Å; H280-W335 HydrophobicContact CB-CH2 3.85Å; H280-W335 HydrophobicContact CB-CZ3 3.94Å; L291-W335 HydrophobicContact CB-CE3 3.65Å; L291-W335 HydrophobicContact CB-CZ3 4.01Å; L291-W335 HydrophobicContact CD1-CE3 4.5Å; R293-W335 HydrophobicContact CB-CD2 3.78Å; R293-W335 HydrophobicContact CB-CE3 3.68Å; R293-W335 HydrophobicContact CB-CH2 3.81Å; R293-W335 HydrophobicContact CB-CZ2 3.89Å; R293-W335 HydrophobicContact CB-CZ3 3.71Å; R293-W335 HydrophobicContact CG-CD2 4.03Å; R293-W335 HydrophobicContact CG-CE3 4.44Å; R293-W335 HydrophobicContact CG-CG 4.42Å; R293-W335 HydrophobicContact CG-CZ2 4.15Å; W307-W335 CarbonylContact C-O 3.53Å; W307-W335 VanDerWaalsContact C-O 3.3Å; W307-W335 HydrophobicContact CB-CB 4.25Å; W314-W335 HydrophobicContact CH2-CB 4.44Å; W314-W335 HydrophobicContact CH2-CG 4.1Å; W314-W335 HydrophobicContact CZ2-CB 3.85Å; W314-W335 AromaticContact CZ2-CD1 3.72Å; W314-W335 AromaticContact CZ2-CG 3.84Å; W314-W335 HydrophobicContact CZ2-CG 3.84Å; L325-W335 HydrophobicContact CB-CZ2 4.29Å; L325-W335 HydrophobicContact CD2-CH2 4.22Å; L325-W335 HydrophobicContact CD2-CZ2 3.79Å; L325-W335 HydrophobicContact CG-CZ2 4.49Å; L325-W335 PolarHBondContact O-NE1 3.35Å |
| 336 | M | 94.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 160.4 | 168.8 | 72.2 | -175.1 | -43.6 | 0 | 0 | 111.1 | L291 V292 I294 W303 F334 D340 F341 E344 F345 | L291-M336 WeakPolarHBondContact CA-O 3.38Å; V292-M336 PolarHBondContact N-O 3.31Å; V292-M336 PolarHBondContact O-N 3.31Å; I294-M336 HydrophobicContact CD1-CG 4.14Å; I294-M336 HydrophobicContact CD1-SD 3.39Å; I294-M336 WeakPolarHBondContact CD1-SD 3.41Å; I294-M336 HydrophobicContact CG1-SD 4.5Å; W303-M336 HydrophobicContact CD2-CE 4.42Å; W303-M336 HydrophobicContact CE3-CE 4.4Å; W303-M336 HydrophobicContact CH2-CE 4.03Å; W303-M336 HydrophobicContact CZ2-CE 4.1Å; W303-M336 HydrophobicContact CZ3-CE 4.19Å; F334-M336 HydrophobicContact CE2-SD 4.39Å; M336-D340 HydrophobicContact CE-CB 3.71Å; M336-F341 HydrophobicContact CG-CB 4.26Å; M336-F341 HydrophobicContact SD-CB 4Å; M336-F341 HydrophobicContact SD-CD2 4.17Å; M336-E344 HydrophobicContact CE-CG 4.31Å; M336-F345 HydrophobicContact CE-CE2 4.22Å; M336-F345 HydrophobicContact SD-CD2 4.16Å; M336-F345 HydrophobicContact SD-CE2 3.64Å |
| 337 | S | 94.5 | Very high | 89.2 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 146.3 | 174 | 80.2 | 0 | 0 | 0 | 0 | 110.8 | S339 D340 F341 | S337-S339 PolarHBondContact O-N 3.02Å; S337-D340 PolarHBondContact O-N 2.87Å; S337-D340 WeakPolarHBondContact OG-CB 3.45Å; S337-D340 PolarHBondContact OG-N 3.47Å; S337-D340 VanDerWaalsContact OG-N 3.09Å; S337-D340 PolarHBondContact OG-OD2 3.33Å; S337-F341 PolarHBondContact O-N 2.75Å |
| 338 | Y | 93.5 | Very high | 89.8 | Confident | 28 Ų | 28 | 40 Ų | 40 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.8 | -32.7 | 176.4 | -179 | -111.8 | 0 | 0 | 0 | 112.3 | L234 F235 I238 K290 V292 F341 L342 | L234-Y338 WeakPolarHBondContact CB-OH 3.32Å; F235-Y338 HydrophobicContact CB-CE1 4.13Å; F235-Y338 HydrophobicContact CB-CE2 4.13Å; F235-Y338 HydrophobicContact CD2-CD1 4.36Å; F235-Y338 AromaticContact CD2-CD2 3.63Å; F235-Y338 HydrophobicContact CD2-CD2 3.63Å; F235-Y338 AromaticContact CD2-CE2 4Å; F235-Y338 HydrophobicContact CD2-CE2 4Å; F235-Y338 AromaticContact CD2-CG 3.82Å; F235-Y338 HydrophobicContact CD2-CG 3.82Å; F235-Y338 HydrophobicContact CE2-CD2 4.4Å; F235-Y338 HydrophobicContact CE2-CG 4.49Å; F235-Y338 PolarHBondContact N-OH 3.38Å; I238-Y338 HydrophobicContact CD1-CE2 4.19Å; K290-Y338 PolarHBondContact O-N 2.56Å; V292-Y338 HydrophobicContact CG2-CD2 3.88Å; Y338-F341 HydrophobicContact CD2-CD1 4.14Å; Y338-F341 HydrophobicContact CE2-CD1 4.15Å; Y338-F341 WeakPolarHBondContact O-CB 3.43Å; Y338-F341 PolarHBondContact O-N 2.72Å; Y338-L342 HydrophobicContact CD1-CD1 4.16Å; Y338-L342 HydrophobicContact CE1-CD1 3.57Å; Y338-L342 HydrophobicContact CE1-CG 4.09Å; Y338-L342 HydrophobicContact CE2-CD2 4.27Å; Y338-L342 HydrophobicContact CE2-CG 4.3Å; Y338-L342 WeakPolarHBondContact O-CG 3.43Å; Y338-L342 PolarHBondContact O-N 3.01Å |
| 339 | S | 92.1 | Very high | 90.3 | Very high | 85 Ų | 85 | 33.1 Ų | 33.1 | 59% | 0.594 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -67.9 | -37.1 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | S337 R343 | S337-S339 PolarHBondContact O-N 3.02Å; S339-R343 PolarHBondContact O-N 3.26Å |
| 340 | D | 93.4 | Very high | 90.8 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 12% | 0.118 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.8 | -39.2 | 172.8 | -64 | -42.8 | 0 | 0 | 0 | 110.6 | W303 M336 S337 L342 R343 E344 | W303-D340 HydrophobicContact CH2-CB 4.45Å; W303-D340 HydrophobicContact CZ2-CB 4.25Å; M336-D340 HydrophobicContact CE-CB 3.71Å; S337-D340 PolarHBondContact O-N 2.87Å; S337-D340 WeakPolarHBondContact OG-CB 3.45Å; S337-D340 PolarHBondContact OG-N 3.47Å; S337-D340 VanDerWaalsContact OG-N 3.09Å; S337-D340 PolarHBondContact OG-OD2 3.33Å; D340-L342 PolarHBondContact O-N 3.34Å; D340-R343 PolarHBondContact O-N 3.26Å; D340-R343 IonicContact OD1-CZ 3.2Å; D340-R343 IonicContact OD1-NH1 2.77Å; D340-R343 PolarHBondContact OD1-NH1 2.95Å; D340-R343 IonicContact OD1-NH2 2.82Å; D340-R343 PolarHBondContact OD1-NH2 3.34Å; D340-E344 VanDerWaalsContact O-CG 3.31Å; D340-E344 WeakPolarHBondContact O-CG 3.43Å; D340-E344 PolarHBondContact O-N 3.23Å |
| 341 | F | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.4 | -50.9 | 175.6 | 176 | -110.5 | 0 | 0 | 0 | 111.9 | L227 I238 C250 V292 I294 M336 S337 Y338 R343 F345 L348 | L227-F341 HydrophobicContact CD1-CD1 4.32Å; L227-F341 HydrophobicContact CD1-CE1 3.69Å; L227-F341 HydrophobicContact CD1-CE2 4.23Å; L227-F341 HydrophobicContact CD1-CZ 3.64Å; L227-F341 HydrophobicContact CD2-CE1 3.92Å; L227-F341 HydrophobicContact CD2-CZ 4.42Å; L227-F341 HydrophobicContact CG-CE1 4.48Å; I238-F341 HydrophobicContact CD1-CE1 4.43Å; C250-F341 HydrophobicContact CB-CE2 3.9Å; C250-F341 HydrophobicContact CB-CZ 4.05Å; V292-F341 HydrophobicContact CG2-CB 4.49Å; V292-F341 HydrophobicContact CG2-CG 4.49Å; I294-F341 HydrophobicContact CD1-CD2 3.57Å; I294-F341 HydrophobicContact CD1-CE2 3.85Å; M336-F341 HydrophobicContact CG-CB 4.26Å; M336-F341 HydrophobicContact SD-CB 4Å; M336-F341 HydrophobicContact SD-CD2 4.17Å; S337-F341 PolarHBondContact O-N 2.75Å; Y338-F341 HydrophobicContact CD2-CD1 4.14Å; Y338-F341 HydrophobicContact CE2-CD1 4.15Å; Y338-F341 WeakPolarHBondContact O-CB 3.43Å; Y338-F341 PolarHBondContact O-N 2.72Å; F341-R343 PolarHBondContact O-N 3.04Å; F341-F345 HydrophobicContact CD2-CB 4.14Å; F341-F345 AromaticContact CD2-CD2 3.46Å; F341-F345 HydrophobicContact CD2-CD2 3.46Å; F341-F345 VanDerWaalsContact CD2-CD2 3.46Å; F341-F345 HydrophobicContact CD2-CE2 4.04Å; F341-F345 AromaticContact CD2-CG 3.87Å; F341-F345 HydrophobicContact CD2-CG 3.87Å; F341-F345 HydrophobicContact CE2-CB 3.94Å; F341-F345 HydrophobicContact CE2-CD1 4.3Å; F341-F345 AromaticContact CE2-CD2 3.81Å; F341-F345 HydrophobicContact CE2-CD2 3.81Å; F341-F345 HydrophobicContact CE2-CE2 4.42Å; F341-F345 AromaticContact CE2-CG 3.75Å; F341-F345 HydrophobicContact CE2-CG 3.75Å; F341-F345 HydrophobicContact CG-CD2 4.46Å; F341-F345 WeakPolarHBondContact O-CB 3.12Å; F341-F345 PolarHBondContact O-N 3.48Å; F341-L348 HydrophobicContact CZ-CD1 4.14Å |
| 342 | L | 92.5 | Very high | 91 | Very high | 52 Ų | 52 | 26.2 Ų | 26.2 | 27% | 0.272 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63.1 | -25.4 | 177.5 | -68.2 | -179.7 | 0 | 0 | 0 | 114.1 | L227 A230 L234 Y338 D340 | L227-L342 HydrophobicContact CB-CD2 4.19Å; L227-L342 HydrophobicContact CD2-CD2 4Å; A230-L342 HydrophobicContact CB-CD2 4.06Å; L234-L342 HydrophobicContact CD2-CD2 4.3Å; Y338-L342 HydrophobicContact CD1-CD1 4.16Å; Y338-L342 HydrophobicContact CE1-CD1 3.57Å; Y338-L342 HydrophobicContact CE1-CG 4.09Å; Y338-L342 HydrophobicContact CE2-CD2 4.27Å; Y338-L342 HydrophobicContact CE2-CG 4.3Å; Y338-L342 WeakPolarHBondContact O-CG 3.43Å; Y338-L342 PolarHBondContact O-N 3.01Å; D340-L342 PolarHBondContact O-N 3.34Å |
| 343 | R | 91.4 | Very high | 90.5 | Very high | 142 Ų | 142 | 26.7 Ų | 26.7 | 54% | 0.536 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -87.4 | -39.2 | -177.4 | -170.7 | 179.4 | 67 | -117.7 | -9.6 | 112.5 | S339 D340 F341 | S339-R343 PolarHBondContact O-N 3.26Å; D340-R343 PolarHBondContact O-N 3.26Å; D340-R343 IonicContact OD1-CZ 3.2Å; D340-R343 IonicContact OD1-NH1 2.77Å; D340-R343 PolarHBondContact OD1-NH1 2.95Å; D340-R343 IonicContact OD1-NH2 2.82Å; D340-R343 PolarHBondContact OD1-NH2 3.34Å; F341-R343 PolarHBondContact O-N 3.04Å |
| 344 | E | 92.4 | Very high | 89.2 | Confident | 41 Ų | 41 | 26.8 Ų | 26.8 | 19% | 0.192 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -90.8 | -36.4 | -174.4 | -51.3 | -63.7 | 160 | 0 | 0 | 112.1 | K266 L268 W303 M336 D340 | K266-E344 IonicContact NZ-OE1 3.56Å; K266-E344 PolarHBondContact NZ-OE1 2.9Å; L268-E344 HydrophobicContact CD1-CB 3.7Å; L268-E344 HydrophobicContact CD1-CG 4.13Å; W303-E344 HydrophobicContact CH2-CG 3.94Å; W303-E344 HydrophobicContact CZ3-CG 4.02Å; M336-E344 HydrophobicContact CE-CG 4.31Å; D340-E344 VanDerWaalsContact O-CG 3.31Å; D340-E344 WeakPolarHBondContact O-CG 3.43Å; D340-E344 PolarHBondContact O-N 3.23Å |
| 345 | F | 93 | Very high | 87.1 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.013 | 15% | 0.146 | C | C | . | . | trans | -89.9 | 151.2 | 179.3 | -71.1 | -96.4 | 0 | 0 | 0 | 112 | L227 C250 I252 L268 Y274 I294 M336 F341 | L227-F345 HydrophobicContact CD1-CB 3.43Å; L227-F345 VanDerWaalsContact CD1-CB 3.43Å; C250-F345 HydrophobicContact CB-CD1 3.86Å; C250-F345 HydrophobicContact CB-CE1 4.28Å; C250-F345 WeakPolarHBondContact SG-CE1 3.42Å; I252-F345 HydrophobicContact CD1-CD1 4.42Å; I252-F345 HydrophobicContact CD1-CE1 4.29Å; I252-F345 HydrophobicContact CG1-CD1 3.74Å; I252-F345 HydrophobicContact CG1-CE1 3.98Å; I252-F345 HydrophobicContact CG1-CG 4.23Å; L268-F345 HydrophobicContact CD1-CE2 4.26Å; L268-F345 HydrophobicContact CD2-CZ 4.38Å; Y274-F345 AromaticContact CD2-CE1 3.74Å; Y274-F345 HydrophobicContact CD2-CE1 3.74Å; Y274-F345 HydrophobicContact CD2-CZ 4.31Å; Y274-F345 HydrophobicContact CE2-CE1 4.3Å; Y274-F345 HydrophobicContact CG-CE1 4.01Å; Y274-F345 HydrophobicContact CG-CZ 4.35Å; I294-F345 HydrophobicContact CD1-CD2 4.25Å; I294-F345 HydrophobicContact CD1-CE1 4.5Å; I294-F345 HydrophobicContact CD1-CE2 3.53Å; I294-F345 HydrophobicContact CD1-CZ 3.68Å; I294-F345 HydrophobicContact CG2-CZ 4.21Å; M336-F345 HydrophobicContact CE-CE2 4.22Å; M336-F345 HydrophobicContact SD-CD2 4.16Å; M336-F345 HydrophobicContact SD-CE2 3.64Å; F341-F345 HydrophobicContact CD2-CB 4.14Å; F341-F345 AromaticContact CD2-CD2 3.46Å; F341-F345 HydrophobicContact CD2-CD2 3.46Å; F341-F345 VanDerWaalsContact CD2-CD2 3.46Å; F341-F345 HydrophobicContact CD2-CE2 4.04Å; F341-F345 AromaticContact CD2-CG 3.87Å; F341-F345 HydrophobicContact CD2-CG 3.87Å; F341-F345 HydrophobicContact CE2-CB 3.94Å; F341-F345 HydrophobicContact CE2-CD1 4.3Å; F341-F345 AromaticContact CE2-CD2 3.81Å; F341-F345 HydrophobicContact CE2-CD2 3.81Å; F341-F345 HydrophobicContact CE2-CE2 4.42Å; F341-F345 AromaticContact CE2-CG 3.75Å; F341-F345 HydrophobicContact CE2-CG 3.75Å; F341-F345 HydrophobicContact CG-CD2 4.46Å; F341-F345 WeakPolarHBondContact O-CB 3.12Å; F341-F345 PolarHBondContact O-N 3.48Å | ||
| 346 | T | 91.9 | Very high | 85 | Confident | 16 Ų | 16 | 34.1 Ų | 34.1 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | trans | -106.4 | -40.1 | -177.7 | -50 | 0 | 0 | 0 | 0 | 112.3 | L227 S251 D253 | L227-T346 PolarHBondContact N-O 2.91Å; S251-T346 PolarHBondContact O-N 3.19Å; D253-T346 HydrophobicContact CB-CG2 3.96Å; D253-T346 PolarHBondContact N-OG1 2.94Å; D253-T346 WeakPolarHBondContact OD2-CG2 3.31Å | ||
| 347 | R | 90.9 | Very high | 82.7 | Confident | 86 Ų | 86 | 34.4 Ų | 34.4 | 33% | 0.325 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.1 | -175.5 | -60.2 | -177.8 | -166.4 | -172.7 | 2.4 | 111.6 | F225 C250 S251 D253 | F225-R347 WeakPolarHBondContact O-CA 3.07Å; C250-R347 VanDerWaalsContact CA-O 3.26Å; C250-R347 WeakPolarHBondContact CA-O 3.11Å; C250-R347 WeakPolarHBondContact CB-O 3.3Å; S251-R347 PolarHBondContact N-O 3.14Å; S251-R347 PolarHBondContact O-N 3.38Å; D253-R347 IonicContact OD1-CZ 3.65Å; D253-R347 IonicContact OD1-NE 2.72Å; D253-R347 PolarHBondContact OD1-NE 2.58Å; D253-R347 IonicContact OD1-NH2 3.62Å; D253-R347 IonicContact OD2-CZ 3.8Å; D253-R347 IonicContact OD2-NE 3.87Å; D253-R347 PolarHBondContact OD2-NE 3.32Å; D253-R347 IonicContact OD2-NH2 2.64Å; D253-R347 PolarHBondContact OD2-NH2 3.14Å |
| 348 | L | 91.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131.1 | 169.6 | 173.3 | 78.9 | 0 | 0 | 0 | 108.7 | M224 F225 L227 L234 I238 G249 C250 V276 F341 I350 | M224-L348 CarbonylContact C-O 3.54Å; M224-L348 WeakPolarHBondContact CA-O 3.38Å; F225-L348 HydrophobicContact CB-CB 4.38Å; F225-L348 HydrophobicContact CD2-CD2 4.47Å; F225-L348 PolarHBondContact N-O 2.98Å; F225-L348 PolarHBondContact O-N 2.99Å; L227-L348 HydrophobicContact CD2-CB 3.78Å; L227-L348 HydrophobicContact CD2-CD2 4.5Å; L227-L348 HydrophobicContact CG-CB 4.29Å; L234-L348 HydrophobicContact CD1-CD2 3.94Å; L234-L348 HydrophobicContact CD2-CD2 4.39Å; L234-L348 HydrophobicContact CG-CD2 4.47Å; I238-L348 HydrophobicContact CD1-CD2 3.72Å; I238-L348 HydrophobicContact CG1-CD2 3.75Å; G249-L348 CarbonylContact O-C 3.59Å; G249-L348 WeakPolarHBondContact O-CA 3.36Å; G249-L348 WeakPolarHBondContact O-CD1 3.47Å; C250-L348 HydrophobicContact CB-CD1 4.36Å; V276-L348 HydrophobicContact CG2-CD1 4.09Å; F341-L348 HydrophobicContact CZ-CD1 4.14Å; L348-I350 HydrophobicContact CD2-CD1 3.95Å; L348-I350 HydrophobicContact CD2-CG1 4.11Å; L348-I350 HydrophobicContact CG-CD1 4.48Å; L348-I350 HydrophobicContact CG-CG1 4.09Å |
| 349 | E | 90.8 | Very high | 78.3 | Confident | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.6 | 179.8 | -59.1 | 176.4 | -168.6 | 0 | 0 | 107.8 | S209 T210 S211 F214 T222 E223 M224 L248 G249 | S209-E349 VanDerWaalsContact OG-CD 3.28Å; S209-E349 PolarHBondContact OG-OE1 2.83Å; S209-E349 PolarHBondContact OG-OE2 3.13Å; S209-E349 VanDerWaalsContact OG-OE2 3.07Å; T210-E349 WeakPolarHBondContact CB-OE2 3.47Å; T210-E349 PolarHBondContact N-OE2 3.41Å; S211-E349 WeakPolarHBondContact CB-OE2 3.41Å; S211-E349 PolarHBondContact N-OE2 2.92Å; F214-E349 HydrophobicContact CE2-CB 4.46Å; T222-E349 HydrophobicContact CG2-CB 4.08Å; E223-E349 WeakPolarHBondContact O-CA 3.44Å; M224-E349 HydrophobicContact CG-CG 4.3Å; L248-E349 WeakPolarHBondContact CA-O 3.17Å; G249-E349 PolarHBondContact N-O 3.09Å; G249-E349 PolarHBondContact O-N 3.44Å |
| 350 | I | 88.8 | Confident | 75.9 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 114.3 | 179.3 | -54.1 | -177 | 0 | 0 | 0 | 108.4 | T222 E223 F225 I237 A241 L248 L348 | T222-I350 CarbonylContact C-O 3.58Å; T222-I350 WeakPolarHBondContact CA-O 3.43Å; E223-I350 PolarHBondContact N-O 3.4Å; E223-I350 PolarHBondContact O-N 2.88Å; F225-I350 HydrophobicContact CD2-CD1 4.12Å; F225-I350 HydrophobicContact CD2-CG1 4.33Å; F225-I350 HydrophobicContact CE2-CD1 3.81Å; F225-I350 HydrophobicContact CE2-CG1 4.23Å; I237-I350 HydrophobicContact CG2-CD1 4.04Å; A241-I350 HydrophobicContact CB-CG2 3.85Å; L248-I350 HydrophobicContact CD2-CD1 4.41Å; L248-I350 HydrophobicContact CD2-CG1 4.27Å; L248-I350 HydrophobicContact CG-CG1 4.18Å; L248-I350 HydrophobicContact CG-CG2 4.32Å; L348-I350 HydrophobicContact CD2-CD1 3.95Å; L348-I350 HydrophobicContact CD2-CG1 4.11Å; L348-I350 HydrophobicContact CG-CD1 4.48Å; L348-I350 HydrophobicContact CG-CG1 4.09Å |
| 351 | C | 88.4 | Confident | 73.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 111.6 | 173.1 | -167.4 | 0 | 0 | 0 | 0 | 110.2 | F214 T218 V221 S246 L247 | F214-C351 HydrophobicContact CB-CB 3.44Å; F214-C351 VanDerWaalsContact CB-CB 3.44Å; F214-C351 HydrophobicContact CD2-CB 3.84Å; F214-C351 HydrophobicContact CG-CB 3.87Å; T218-C351 PolarHBondContact OG1-SG 3Å; V221-C351 WeakPolarHBondContact O-CA 3.43Å; S246-C351 VanDerWaalsContact CB-O 3.24Å; S246-C351 WeakPolarHBondContact CB-O 3.49Å; L247-C351 HydrophobicContact CB-CB 4.22Å; L247-C351 PolarHBondContact N-O 3.31Å; L247-C351 PolarHBondContact O-N 3.04Å |
| 352 | N | 77.3 | Confident | 70.7 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 131.8 | 174.4 | -67.1 | -46.6 | 0 | 0 | 0 | 110.3 | G220 V221 E223 | G220-N352 VanDerWaalsContact CA-O 3.22Å; G220-N352 WeakPolarHBondContact CA-O 3.43Å; V221-N352 HydrophobicContact CG1-CB 4.3Å; V221-N352 PolarHBondContact N-O 3.22Å; V221-N352 PolarHBondContact O-N 2.8Å; E223-N352 PolarHBondContact OE1-ND2 2.99Å |
| 353 | L | 72 | Confident | 68.7 | Low | 10 Ų | 10 | 65.3 Ų | 65.3 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 136.8 | 179.9 | -60.1 | 179.1 | 0 | 0 | 0 | 111 | L130 T218 A357 L358 | L130-L353 HydrophobicContact CD1-CD1 3.77Å; L130-L353 HydrophobicContact CD1-CD2 3.51Å; L130-L353 HydrophobicContact CD1-CG 4.28Å; L130-L353 HydrophobicContact CD2-CD1 4.4Å; L130-L353 HydrophobicContact CD2-CD2 4.06Å; L130-L353 HydrophobicContact CG-CD1 4.49Å; L130-L353 HydrophobicContact CG-CD2 4.44Å; T218-L353 HydrophobicContact CG2-CD2 3.77Å; L353-A357 HydrophobicContact CB-CB 3.66Å; L353-A357 HydrophobicContact CD1-CB 4.41Å; L353-A357 HydrophobicContact CD2-CB 4.06Å; L353-A357 HydrophobicContact CG-CB 4.24Å; L353-L358 HydrophobicContact CB-CD1 4.37Å; L353-L358 HydrophobicContact CB-CD2 4.41Å; L353-L358 HydrophobicContact CB-CG 4.09Å; L353-L358 HydrophobicContact CD1-CD2 3.88Å; L353-L358 HydrophobicContact CD1-CG 4.4Å |
| 354 | T | 62.5 | Low | 66.8 | Low | 18 Ų | 18 | 66 Ų | 66 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 169.3 | 171.5 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | G219 D356 A357 F509 | G219-T354 WeakPolarHBondContact O-CG2 3.42Å; T354-D356 PolarHBondContact O-N 2.88Å; T354-D356 VanDerWaalsContact O-N 3.13Å; T354-A357 WeakPolarHBondContact O-CB 3.27Å; T354-A357 PolarHBondContact O-N 2.72Å; T354-F509 HydrophobicContact CG2-CE1 3.7Å; T354-F509 HydrophobicContact CG2-CZ 4.43Å |
| 355 | A | 50 | Low | 65.3 | Low | 40 Ų | 40 | 72.2 Ų | 72.2 | 33% | 0.331 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A357 L358 K365 | A355-A357 VanDerWaalsContact C-N 3.31Å; A355-A357 PolarHBondContact O-N 3Å; A355-L358 PolarHBondContact O-N 2.81Å; A355-K365 HydrophobicContact CB-CB 4.46Å; A355-K365 HydrophobicContact CB-CG 4.48Å |
| 356 | D | 48.2 | Very low | 64.2 | Low | 124 Ų | 124 | 74.8 Ų | 74.8 | 66% | 0.663 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -29.2 | 178.8 | -58 | -31.8 | 0 | 0 | 0 | 112.1 | R133 T354 | R133-D356 VanDerWaalsContact NH1-C 3.34Å; R133-D356 PolarHBondContact NH1-O 3.02Å; R133-D356 PolarHBondContact NH2-O 3.2Å; T354-D356 PolarHBondContact O-N 2.88Å; T354-D356 VanDerWaalsContact O-N 3.13Å |
| 357 | A | 48.5 | Very low | 63.4 | Low | 5 Ų | 5 | 76.8 Ų | 76.8 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -19.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L130 R133 L353 T354 A355 | L130-A357 HydrophobicContact CD2-CB 3.84Å; R133-A357 VanDerWaalsContact NH1-CA 3.29Å; R133-A357 PolarHBondContact NH2-O 2.88Å; L353-A357 HydrophobicContact CB-CB 3.66Å; L353-A357 HydrophobicContact CD1-CB 4.41Å; L353-A357 HydrophobicContact CD2-CB 4.06Å; L353-A357 HydrophobicContact CG-CB 4.24Å; T354-A357 WeakPolarHBondContact O-CB 3.27Å; T354-A357 PolarHBondContact O-N 2.72Å; A355-A357 VanDerWaalsContact C-N 3.31Å; A355-A357 PolarHBondContact O-N 3Å |
| 358 | L | 51.9 | Low | 62.9 | Low | 91 Ų | 91 | 75.3 Ų | 75.3 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | trans | -109.5 | 91 | -176 | -66.6 | 169.3 | 0 | 0 | 0 | 111.2 | L353 A355 | L353-L358 HydrophobicContact CB-CD1 4.37Å; L353-L358 HydrophobicContact CB-CD2 4.41Å; L353-L358 HydrophobicContact CB-CG 4.09Å; L353-L358 HydrophobicContact CD1-CD2 3.88Å; L353-L358 HydrophobicContact CD1-CG 4.4Å; A355-L358 PolarHBondContact O-N 2.81Å | ||
| 359 | Q | 43.4 | Very low | 62.5 | Low | 148 Ų | 148 | 76.2 Ų | 76.2 | 69% | 0.692 | 39% | 0.385 | S | S | * | . | trans | -84.2 | 123.2 | 165.6 | -72.1 | -178.2 | -2.4 | 0 | 0 | 109.3 | ||||
| 360 | H | 42 | Very low | 62.4 | Low | 181 Ų | 181 | 79.7 Ų | 79.7 | 84% | 0.838 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 75.6 | 43.9 | 162.5 | -68.9 | -72.9 | 0 | 0 | 0 | 121 | ||
| 361 | C | 34.4 | Very low | 62.4 | Low | 113 Ų | 113 | 81 Ų | 81 | 76% | 0.764 | 41% | 0.409 | S | S | * | . | trans | -133.9 | 134.9 | 153.2 | -86.9 | 0 | 0 | 0 | 0 | 110.9 | M363 | C361-M363 VanDerWaalsContact C-N 3.31Å; C361-M363 PolarHBondContact O-N 2.79Å | ||
| 362 | Q | 41.9 | Very low | 62.5 | Low | 206 Ų | 206 | 83 Ų | 83 | 96% | 0.963 | 43% | 0.43 | S | S | * | . | trans | -59.6 | 83 | 178.5 | -75.4 | -179.6 | -22.5 | 0 | 0 | 111.3 | ||||
| 363 | M | 50.2 | Low | 63.1 | Low | 111 Ų | 111 | 82.4 Ų | 82.4 | 55% | 0.547 | 43% | 0.429 | S | S | . | . | trans | -140.2 | 150.9 | 176.8 | -62.8 | -149.6 | 87.4 | 0 | 0 | 112.5 | C361 K365 | C361-M363 VanDerWaalsContact C-N 3.31Å; C361-M363 PolarHBondContact O-N 2.79Å; M363-K365 PolarHBondContact O-N 3.32Å; M363-K365 VanDerWaalsContact O-N 3.17Å | ||
| 364 | K | 53.3 | Low | 64 | Low | 158 Ų | 158 | 84 Ų | 84 | 69% | 0.687 | 44% | 0.436 | S | S | * | . | trans | -53.5 | 114.8 | -177.7 | -65.3 | 178.4 | 177.3 | -178.3 | 0 | 110 | ||||
| 365 | K | 60.8 | Low | 65.5 | Low | 171 Ų | 171 | 83.2 Ų | 83.2 | 74% | 0.743 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 129.2 | 175.2 | -63.6 | -177.6 | 176.9 | -172.1 | 0 | 109 | A355 M363 | A355-K365 HydrophobicContact CB-CB 4.46Å; A355-K365 HydrophobicContact CB-CG 4.48Å; M363-K365 PolarHBondContact O-N 3.32Å; M363-K365 VanDerWaalsContact O-N 3.17Å |
| 366 | W | 68.3 | Low | 67.4 | Low | 57 Ų | 57 | 83.5 Ų | 83.5 | 22% | 0.216 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 134.7 | 163.9 | -70.1 | 94.1 | 0 | 0 | 0 | 108.4 | F509 S510 E511 | W366-F509 HydrophobicContact CD2-CB 4.34Å; W366-F509 HydrophobicContact CE3-CB 3.77Å; W366-F509 HydrophobicContact CZ3-CB 4.37Å; W366-S510 VanDerWaalsContact CE3-C 3.45Å; W366-E511 HydrophobicContact CE3-CG 4.29Å; W366-E511 HydrophobicContact CH2-CG 3.52Å; W366-E511 HydrophobicContact CZ2-CG 4.23Å; W366-E511 HydrophobicContact CZ3-CB 4.44Å; W366-E511 HydrophobicContact CZ3-CG 3.58Å |
| 367 | N | 75.1 | Confident | 69.3 | Low | 57 Ų | 57 | 83.7 Ų | 83.7 | 31% | 0.305 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 134 | 162 | -171.8 | 5.6 | 0 | 0 | 0 | 107.7 | F509 S510 P513 A514 | N367-F509 CarbonylContact O-C 3.48Å; N367-F509 VanDerWaalsContact O-CA 3.29Å; N367-F509 WeakPolarHBondContact O-CA 3.18Å; N367-S510 PolarHBondContact N-O 2.88Å; N367-S510 PolarHBondContact O-N 3.13Å; N367-P513 WeakPolarHBondContact ND2-CA 3.5Å; N367-A514 PolarHBondContact ND2-N 3.37Å; N367-A514 PolarHBondContact ND2-O 3.19Å |
| 368 | T | 80.6 | Confident | 70.8 | Confident | 56 Ų | 56 | 83.6 Ų | 83.6 | 34% | 0.344 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133.7 | -175.3 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | V508 F509 | T368-V508 WeakPolarHBondContact CA-O 3.24Å; T368-F509 HydrophobicContact CG2-CD1 3.9Å; T368-F509 HydrophobicContact CG2-CE1 3.48Å; T368-F509 VanDerWaalsContact CG2-CE1 3.48Å; T368-F509 HydrophobicContact CG2-CZ 4.05Å; T368-F509 VanDerWaalsContact OG1-CD1 3.29Å; T368-F509 WeakPolarHBondContact OG1-CD1 3.36Å; T368-F509 WeakPolarHBondContact OG1-CE1 3.3Å |
| 369 | S | 85 | Confident | 72.3 | Confident | 18 Ų | 18 | 79.5 Ų | 79.5 | 13% | 0.126 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.8 | 170.7 | -53.2 | 0 | 0 | 0 | 0 | 109 | R507 V508 S516 | S369-R507 CarbonylContact O-C 3.53Å; S369-R507 VanDerWaalsContact O-CA 3.3Å; S369-R507 WeakPolarHBondContact O-CA 2.97Å; S369-V508 PolarHBondContact N-O 3.11Å; S369-V508 PolarHBondContact O-N 3Å; S369-S516 WeakPolarHBondContact CB-OG 3.38Å; S369-S516 PolarHBondContact OG-OG 3.31Å |
| 370 | L | 87.7 | Confident | 74.5 | Confident | 83 Ų | 83 | 72.4 Ų | 72.4 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126.4 | -178.2 | -174.2 | 147.9 | 0 | 0 | 0 | 109.4 | G157 V505 R507 | G157-L370 VanDerWaalsContact CA-CD1 3.4Å; L370-V505 HydrophobicContact CD1-CG1 3.87Å; L370-V505 HydrophobicContact CD2-CG1 3.88Å; L370-V505 HydrophobicContact CG-CG1 3.59Å; L370-R507 HydrophobicContact CD1-CG 4.19Å; L370-R507 HydrophobicContact CG-CG 4.28Å |
| 371 | F | 89.6 | Confident | 76.9 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.7 | 178.2 | -57.8 | -77.5 | 0 | 0 | 0 | 109.8 | F397 V505 L506 S516 | F371-F397 HydrophobicContact CB-CD1 3.72Å; F371-F397 HydrophobicContact CB-CE1 3.44Å; F371-F397 VanDerWaalsContact CB-CE1 3.44Å; F371-F397 HydrophobicContact CB-CZ 4.17Å; F371-F397 AromaticContact CD1-CD1 3.9Å; F371-F397 HydrophobicContact CD1-CD1 3.9Å; F371-F397 HydrophobicContact CD1-CE1 4.14Å; F371-F397 HydrophobicContact CD2-CD1 4.03Å; F371-F397 AromaticContact CG-CD1 3.6Å; F371-F397 HydrophobicContact CG-CD1 3.6Å; F371-F397 AromaticContact CG-CE1 3.84Å; F371-F397 HydrophobicContact CG-CE1 3.84Å; F371-V505 CarbonylContact O-C 3.51Å; F371-V505 VanDerWaalsContact O-CA 3.32Å; F371-V505 WeakPolarHBondContact O-CA 3.42Å; F371-L506 HydrophobicContact CB-CB 4.34Å; F371-L506 PolarHBondContact N-O 3.31Å; F371-L506 PolarHBondContact O-N 3.17Å; F371-S516 WeakPolarHBondContact CZ-OG 3.46Å |
| 372 | G | 89 | Confident | 79.7 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 142.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 373 | G | 89.8 | Confident | 82.2 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 164.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F504 | G373-F504 VanDerWaalsContact C-CE1 3.41Å; G373-F504 PolarHBondContact N-O 3.37Å; G373-F504 WeakPolarHBondContact O-CD1 3.38Å; G373-F504 PolarHBondContact O-N 3.08Å |
| 374 | E | 92.1 | Very high | 84.3 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 129.4 | -177.8 | -57 | -170.7 | 177.2 | 0 | 0 | 109.7 | K17 R376 T380 D503 Q652 | K17-E374 IonicContact NZ-OE1 3.78Å; K17-E374 PolarHBondContact NZ-OE1 2.8Å; K17-E374 IonicContact NZ-OE2 2.76Å; E374-R376 HydrophobicContact CB-CG 4.44Å; E374-R376 IonicContact OE1-NH2 3.27Å; E374-R376 IonicContact OE2-CZ 3.23Å; E374-R376 IonicContact OE2-NE 2.76Å; E374-R376 PolarHBondContact OE2-NE 2.8Å; E374-R376 IonicContact OE2-NH2 3.07Å; E374-R376 PolarHBondContact OE2-NH2 2.8Å; E374-T380 WeakPolarHBondContact O-CB 3.36Å; E374-T380 PolarHBondContact O-OG1 3.28Å; E374-D503 WeakPolarHBondContact CG-OD1 3.41Å; E374-Q652 PolarHBondContact O-NE2 2.9Å |
| 375 | W | 93.5 | Very high | 86.2 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 122.7 | 161.6 | -57.9 | -62.7 | 0 | 0 | 0 | 108.5 | T380 A381 L418 I436 P493 T495 K500 D501 G502 F504 | W375-T380 WeakPolarHBondContact CA-OG1 3.37Å; W375-A381 HydrophobicContact CB-CB 4.14Å; W375-L418 HydrophobicContact CH2-CD1 4.19Å; W375-L418 HydrophobicContact CH2-CD2 4.21Å; W375-L418 HydrophobicContact CH2-CG 4.45Å; W375-L418 HydrophobicContact CZ2-CD1 4.33Å; W375-L418 HydrophobicContact CZ2-CD2 4.25Å; W375-I436 HydrophobicContact CH2-CB 4.46Å; W375-I436 HydrophobicContact CH2-CG2 3.9Å; W375-I436 HydrophobicContact CZ3-CG2 4.01Å; W375-P493 HydrophobicContact CZ2-CB 4.16Å; W375-P493 PolarHBondContact NE1-O 2.92Å; W375-P493 VanDerWaalsContact NE1-O 3.12Å; W375-T495 HydrophobicContact CD2-CG2 4.2Å; W375-T495 HydrophobicContact CE3-CG2 3.93Å; W375-T495 HydrophobicContact CZ3-CG2 4.15Å; W375-K500 WeakPolarHBondContact CB-O 3.37Å; W375-D501 WeakPolarHBondContact O-CA 3.27Å; W375-G502 PolarHBondContact N-O 2.88Å; W375-G502 PolarHBondContact O-N 3.28Å; W375-F504 AromaticContact CD2-CD1 3.57Å; W375-F504 HydrophobicContact CD2-CD1 3.57Å; W375-F504 AromaticContact CD2-CE1 3.9Å; W375-F504 HydrophobicContact CD2-CE1 3.9Å; W375-F504 AromaticContact CE2-CD1 3.42Å; W375-F504 VanDerWaalsContact CE2-CD1 3.42Å; W375-F504 AromaticContact CE2-CE1 3.52Å; W375-F504 HydrophobicContact CE3-CB 4.44Å; W375-F504 AromaticContact CE3-CD1 3.75Å; W375-F504 HydrophobicContact CE3-CD1 3.75Å; W375-F504 HydrophobicContact CE3-CG 4.5Å; W375-F504 HydrophobicContact CG-CD1 4.28Å; W375-F504 HydrophobicContact CG-CE1 4.24Å; W375-F504 HydrophobicContact CH2-CB 3.65Å; W375-F504 AromaticContact CH2-CD1 3.67Å; W375-F504 HydrophobicContact CH2-CD1 3.67Å; W375-F504 HydrophobicContact CH2-CE1 4.48Å; W375-F504 AromaticContact CH2-CG 3.77Å; W375-F504 HydrophobicContact CH2-CG 3.77Å; W375-F504 HydrophobicContact CZ2-CB 4.27Å; W375-F504 AromaticContact CZ2-CD1 3.48Å; W375-F504 HydrophobicContact CZ2-CD1 3.48Å; W375-F504 VanDerWaalsContact CZ2-CD1 3.48Å; W375-F504 AromaticContact CZ2-CE1 3.86Å; W375-F504 HydrophobicContact CZ2-CE1 3.86Å; W375-F504 AromaticContact CZ2-CG 3.87Å; W375-F504 HydrophobicContact CZ2-CG 3.87Å; W375-F504 HydrophobicContact CZ3-CB 3.75Å; W375-F504 AromaticContact CZ3-CD1 3.79Å; W375-F504 HydrophobicContact CZ3-CD1 3.79Å; W375-F504 HydrophobicContact CZ3-CG 4.11Å; W375-F504 AromaticContact NE1-CE1 3.61Å |
| 376 | R | 89.8 | Confident | 87.7 | Confident | 46 Ų | 46 | 37.4 Ų | 37.4 | 17% | 0.174 | 19% | 0.191 | C | C | . | . | trans | -128.1 | 130.9 | 178.1 | -65.4 | -64.3 | 179.3 | -98.9 | 1.2 | 109.7 | E374 S379 T380 A381 D501 G502 D503 Q652 | E374-R376 HydrophobicContact CB-CG 4.44Å; E374-R376 IonicContact OE1-NH2 3.27Å; E374-R376 IonicContact OE2-CZ 3.23Å; E374-R376 IonicContact OE2-NE 2.76Å; E374-R376 PolarHBondContact OE2-NE 2.8Å; E374-R376 IonicContact OE2-NH2 3.07Å; E374-R376 PolarHBondContact OE2-NH2 2.8Å; R376-S379 VanDerWaalsContact CB-OG 3.29Å; R376-S379 WeakPolarHBondContact CB-OG 3.44Å; R376-S379 PolarHBondContact O-N 3.36Å; R376-S379 PolarHBondContact O-OG 3.36Å; R376-T380 PolarHBondContact N-OG1 2.89Å; R376-T380 PolarHBondContact O-N 2.93Å; R376-T380 VanDerWaalsContact O-N 3.12Å; R376-A381 VanDerWaalsContact C-CB 3.48Å; R376-A381 VanDerWaalsContact O-CB 3.24Å; R376-A381 WeakPolarHBondContact O-CB 3.37Å; R376-A381 PolarHBondContact O-N 3.46Å; R376-D501 WeakPolarHBondContact CA-OD1 3.45Å; R376-G502 PolarHBondContact NH1-O 2.98Å; R376-D503 IonicContact CZ-OD1 3.46Å; R376-D503 IonicContact NH1-OD1 2.67Å; R376-D503 PolarHBondContact NH1-OD1 3.46Å; R376-D503 IonicContact NH2-OD1 3.26Å; R376-D503 PolarHBondContact NH2-OD1 2.74Å; R376-D503 IonicContact NH2-OD2 2.65Å; R376-Q652 HydrophobicContact CB-CG 4.2Å; R376-Q652 HydrophobicContact CG-CG 4.13Å | ||
| 377 | R | 88.2 | Confident | 88.9 | Confident | 128 Ų | 128 | 38.6 Ų | 38.6 | 48% | 0.483 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 138.3 | 176.2 | -175.2 | 174.5 | 175.9 | -167.8 | -4.9 | 109.7 | S379 N499 D501 M663 | R377-S379 PolarHBondContact O-N 3.05Å; R377-N499 HydrophobicContact CG-CB 3.88Å; R377-D501 WeakPolarHBondContact CB-OD1 3.1Å; R377-D501 PolarHBondContact N-OD1 3.03Å; R377-M663 VanDerWaalsContact C-CE 3.44Å; R377-M663 HydrophobicContact CB-CE 3.86Å; R377-M663 HydrophobicContact CG-CE 3.7Å; R377-M663 WeakPolarHBondContact O-CE 3.23Å |
| 378 | G | 80.3 | Confident | 89.6 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 20.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | S632 I655 | G378-S632 WeakPolarHBondContact CA-OG 3.31Å; G378-S632 WeakPolarHBondContact O-CB 3.41Å; G378-S632 PolarHBondContact O-OG 3.16Å; G378-I655 WeakPolarHBondContact O-CG2 3.39Å |
| 379 | S | 84.3 | Confident | 89.9 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -148.5 | -84.6 | 168.8 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | R376 R377 L393 Q652 | R376-S379 VanDerWaalsContact CB-OG 3.29Å; R376-S379 WeakPolarHBondContact CB-OG 3.44Å; R376-S379 PolarHBondContact O-N 3.36Å; R376-S379 PolarHBondContact O-OG 3.36Å; R377-S379 PolarHBondContact O-N 3.05Å; S379-L393 WeakPolarHBondContact O-CB 3.41Å; S379-Q652 WeakPolarHBondContact OG-CG 3.08Å |
| 380 | T | 89.4 | Confident | 90.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -6.8 | -173.3 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | E374 W375 R376 G382 N394 P395 N648 Q652 | E374-T380 WeakPolarHBondContact O-CB 3.36Å; E374-T380 PolarHBondContact O-OG1 3.28Å; W375-T380 WeakPolarHBondContact CA-OG1 3.37Å; R376-T380 PolarHBondContact N-OG1 2.89Å; R376-T380 PolarHBondContact O-N 2.93Å; R376-T380 VanDerWaalsContact O-N 3.12Å; T380-G382 VanDerWaalsContact C-N 3.26Å; T380-G382 PolarHBondContact O-N 3.18Å; T380-N394 WeakPolarHBondContact O-CA 3.47Å; T380-N394 PolarHBondContact O-OD1 3.49Å; T380-P395 HydrophobicContact CG2-CG 4.49Å; T380-N648 HydrophobicContact CG2-CB 4.09Å; T380-Q652 HydrophobicContact CG2-CG 4.16Å; T380-Q652 VanDerWaalsContact CG2-NE2 3.31Å; T380-Q652 PolarHBondContact OG1-NE2 2.91Å |
| 381 | A | 92.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | trans | -80.4 | 67 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W375 R376 G383 N499 K500 | W375-A381 HydrophobicContact CB-CB 4.14Å; R376-A381 VanDerWaalsContact C-CB 3.48Å; R376-A381 VanDerWaalsContact O-CB 3.24Å; R376-A381 WeakPolarHBondContact O-CB 3.37Å; R376-A381 PolarHBondContact O-N 3.46Å; A381-G383 PolarHBondContact O-N 3.3Å; A381-N499 PolarHBondContact O-N 3.4Å; A381-K500 WeakPolarHBondContact CB-O 3.38Å | ||
| 382 | G | 91.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -77.4 | -15.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T380 T390 F391 N394 | T380-G382 VanDerWaalsContact C-N 3.26Å; T380-G382 PolarHBondContact O-N 3.18Å; G382-T390 WeakPolarHBondContact CA-O 3.4Å; G382-T390 CarbonylContact O-C 3.42Å; G382-T390 VanDerWaalsContact O-CB 3.28Å; G382-T390 WeakPolarHBondContact O-CB 3.43Å; G382-T390 PolarHBondContact O-OG1 3.14Å; G382-F391 PolarHBondContact O-N 2.79Å; G382-N394 PolarHBondContact N-OD1 2.94Å; G382-N394 VanDerWaalsContact N-OD1 3.13Å | ||
| 383 | G | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | 72.6 | -177.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A381 F391 N394 S494 T495 | A381-G383 PolarHBondContact O-N 3.3Å; G383-F391 VanDerWaalsContact O-CD2 3.29Å; G383-F391 WeakPolarHBondContact O-CD2 3.24Å; G383-N394 PolarHBondContact O-ND2 3.11Å; G383-S494 WeakPolarHBondContact O-CB 3.29Å; G383-T495 CarbonylContact C-O 3.08Å; G383-T495 VanDerWaalsContact CA-O 3.31Å; G383-T495 WeakPolarHBondContact CA-O 3.45Å | ||
| 384 | C | 94.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.027 | 16% | 0.155 | C | C | . | . | trans | -82 | 179.5 | -175.9 | 74.8 | 0 | 0 | 0 | 0 | 113.3 | N386 Y387 F472 T495 F496 | C384-N386 PolarHBondContact O-N 2.96Å; C384-Y387 PolarHBondContact O-N 3.29Å; C384-F472 HydrophobicContact CB-CD1 4.47Å; C384-F472 HydrophobicContact CB-CE1 3.73Å; C384-F472 HydrophobicContact CB-CE2 4.33Å; C384-F472 HydrophobicContact CB-CZ 3.65Å; C384-T495 PolarHBondContact N-O 3.26Å; C384-F496 PolarHBondContact N-O 3.22Å; C384-F496 PolarHBondContact SG-O 3.27Å | ||
| 385 | R | 93.1 | Very high | 90.7 | Very high | 82 Ų | 82 | 29.6 Ų | 29.6 | 31% | 0.309 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.1 | -176.9 | -176.6 | 57 | -173.2 | 75.4 | -0 | 114.5 | Y387 F391 Y441 F460 | R385-Y387 PolarHBondContact O-N 3.33Å; R385-F391 HydrophobicContact CB-CD2 4.4Å; R385-F391 HydrophobicContact CB-CE2 4.33Å; R385-F391 HydrophobicContact CB-CZ 4.41Å; R385-Y441 WeakPolarHBondContact CD-OH 3.46Å; R385-F460 VanDerWaalsContact CZ-O 3.25Å; R385-F460 PolarHBondContact NE-O 3.43Å; R385-F460 PolarHBondContact NH2-O 3.2Å |
| 386 | N | 93.4 | Very high | 90.7 | Very high | 116 Ų | 116 | 29.5 Ų | 29.5 | 62% | 0.62 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -17.6 | 172.8 | -64 | -16.7 | 0 | 0 | 0 | 112.8 | C384 P388 | C384-N386 PolarHBondContact O-N 2.96Å; N386-P388 WeakPolarHBondContact O-CD 3.06Å |
| 387 | Y | 93.1 | Very high | 90.9 | Very high | 82 Ų | 82 | 27.3 Ų | 27.3 | 32% | 0.322 | 14% | 0.138 | S | C | . | . | trans | -111.6 | 69.7 | 178.6 | -57 | -85.5 | 0 | 0 | 0 | 110.3 | C384 R385 A389 T390 F391 F496 P498 | C384-Y387 PolarHBondContact O-N 3.29Å; R385-Y387 PolarHBondContact O-N 3.33Å; Y387-A389 PolarHBondContact O-N 3.05Å; Y387-A389 VanDerWaalsContact O-N 3.12Å; Y387-T390 PolarHBondContact O-N 2.98Å; Y387-T390 VanDerWaalsContact O-N 3.09Å; Y387-T390 PolarHBondContact O-OG1 2.96Å; Y387-F391 WeakPolarHBondContact O-CB 3.42Å; Y387-F391 PolarHBondContact O-N 3.11Å; Y387-F496 VanDerWaalsContact CE2-O 3.28Å; Y387-F496 WeakPolarHBondContact CE2-O 3.43Å; Y387-P498 HydrophobicContact CD1-CG 4.06Å; Y387-P498 HydrophobicContact CE1-CG 4.28Å; Y387-P498 HydrophobicContact CG-CG 4.24Å | ||
| 388 | P | 90.1 | Very high | 91 | Very high | 50 Ų | 50 | 21.4 Ų | 21.4 | 33% | 0.325 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -24.5 | -172.6 | 25.5 | -35.4 | 0 | 0 | 0 | 113.9 | N386 T390 L461 | N386-P388 WeakPolarHBondContact O-CD 3.06Å; P388-T390 PolarHBondContact O-N 3.37Å; P388-L461 HydrophobicContact CB-CD2 3.67Å; P388-L461 HydrophobicContact CG-CD2 4.45Å |
| 389 | A | 87 | Confident | 91.6 | Very high | 66 Ų | 66 | 21.3 Ų | 21.3 | 55% | 0.545 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y387 W392 | Y387-A389 PolarHBondContact O-N 3.05Å; Y387-A389 VanDerWaalsContact O-N 3.12Å; A389-W392 PolarHBondContact O-NE1 2.91Å |
| 390 | T | 89.5 | Confident | 91.9 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 9% | 0.086 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -18.9 | -169.2 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | G382 Y387 P388 W392 L393 Y633 | G382-T390 WeakPolarHBondContact CA-O 3.4Å; G382-T390 CarbonylContact O-C 3.42Å; G382-T390 VanDerWaalsContact O-CB 3.28Å; G382-T390 WeakPolarHBondContact O-CB 3.43Å; G382-T390 PolarHBondContact O-OG1 3.14Å; Y387-T390 PolarHBondContact O-N 2.98Å; Y387-T390 VanDerWaalsContact O-N 3.09Å; Y387-T390 PolarHBondContact O-OG1 2.96Å; P388-T390 PolarHBondContact O-N 3.37Å; T390-W392 PolarHBondContact O-N 2.89Å; T390-W392 VanDerWaalsContact O-N 3.13Å; T390-L393 HydrophobicContact CG2-CD1 4.44Å; T390-L393 VanDerWaalsContact O-CB 3.3Å; T390-L393 WeakPolarHBondContact O-CB 3.13Å; T390-L393 PolarHBondContact O-N 2.81Å; T390-Y633 HydrophobicContact CG2-CD1 4.48Å; T390-Y633 HydrophobicContact CG2-CE1 3.75Å; T390-Y633 HydrophobicContact CG2-CE2 3.89Å; T390-Y633 WeakPolarHBondContact CG2-OH 3.38Å |
| 391 | F | 93.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -51.7 | -39.8 | -177.5 | 177.2 | -108.8 | 0 | 0 | 0 | 114.1 | G382 G383 R385 Y387 L393 N394 A439 Y441 F460 V492 | G382-F391 PolarHBondContact O-N 2.79Å; G383-F391 VanDerWaalsContact O-CD2 3.29Å; G383-F391 WeakPolarHBondContact O-CD2 3.24Å; R385-F391 HydrophobicContact CB-CD2 4.4Å; R385-F391 HydrophobicContact CB-CE2 4.33Å; R385-F391 HydrophobicContact CB-CZ 4.41Å; Y387-F391 WeakPolarHBondContact O-CB 3.42Å; Y387-F391 PolarHBondContact O-N 3.11Å; F391-L393 PolarHBondContact O-N 2.84Å; F391-L393 VanDerWaalsContact O-N 3.17Å; F391-N394 PolarHBondContact O-N 3.49Å; F391-N394 PolarHBondContact O-ND2 3.4Å; F391-A439 HydrophobicContact CZ-CB 4.36Å; F391-Y441 AromaticContact CE1-CE2 3.97Å; F391-Y441 HydrophobicContact CE1-CE2 3.97Å; F391-Y441 HydrophobicContact CZ-CE2 4.12Å; F391-F460 HydrophobicContact CD1-CB 4.2Å; F391-F460 HydrophobicContact CD1-CD1 4.01Å; F391-F460 HydrophobicContact CD1-CD2 4.36Å; F391-F460 HydrophobicContact CD1-CE1 4.47Å; F391-F460 AromaticContact CD1-CG 3.93Å; F391-F460 HydrophobicContact CD1-CG 3.93Å; F391-F460 AromaticContact CE1-CD1 3.59Å; F391-F460 HydrophobicContact CE1-CD1 3.59Å; F391-F460 AromaticContact CE1-CE1 3.86Å; F391-F460 HydrophobicContact CE1-CE1 3.86Å; F391-F460 HydrophobicContact CE1-CG 4.02Å; F391-F460 HydrophobicContact CE1-CZ 4.49Å; F391-V492 HydrophobicContact CE1-CB 4.44Å; F391-V492 HydrophobicContact CE1-CG1 4.16Å; F391-V492 HydrophobicContact CE2-CB 4.43Å; F391-V492 HydrophobicContact CE2-CG1 3.85Å; F391-V492 HydrophobicContact CZ-CB 3.83Å; F391-V492 HydrophobicContact CZ-CG1 3.61Å; F391-V492 HydrophobicContact CZ-CG2 4.4Å |
| 392 | W | 91.3 | Very high | 91.5 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -67.4 | -13.3 | -177.3 | 66.8 | -83 | 0 | 0 | 0 | 113.8 | A389 T390 Q396 H454 K456 R457 F460 | A389-W392 PolarHBondContact O-NE1 2.91Å; T390-W392 PolarHBondContact O-N 2.89Å; T390-W392 VanDerWaalsContact O-N 3.13Å; W392-Q396 PolarHBondContact O-NE2 3.08Å; W392-Q396 VanDerWaalsContact O-NE2 3.11Å; W392-H454 AromaticContact CE3-NE2 4Å; W392-H454 PolarHBondContact O-CE1 3.31Å; W392-H454 PolarHBondContact O-NE2 2.57Å; W392-K456 HydrophobicContact CE3-CD 4.06Å; W392-K456 HydrophobicContact CZ3-CD 3.76Å; W392-R457 HydrophobicContact CD2-CB 4.36Å; W392-R457 HydrophobicContact CG-CB 3.99Å; W392-F460 HydrophobicContact CB-CD2 3.52Å; W392-F460 HydrophobicContact CB-CE2 3.62Å |
| 393 | L | 89.6 | Confident | 91.1 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -84.9 | -15.4 | 179.9 | -61.3 | 160.1 | 0 | 0 | 0 | 113.5 | S379 T390 F391 Y633 | S379-L393 WeakPolarHBondContact O-CB 3.41Å; T390-L393 HydrophobicContact CG2-CD1 4.44Å; T390-L393 VanDerWaalsContact O-CB 3.3Å; T390-L393 WeakPolarHBondContact O-CB 3.13Å; T390-L393 PolarHBondContact O-N 2.81Å; F391-L393 PolarHBondContact O-N 2.84Å; F391-L393 VanDerWaalsContact O-N 3.17Å; L393-Y633 HydrophobicContact CD1-CD1 3.06Å; L393-Y633 HydrophobicContact CD1-CE1 3.19Å; L393-Y633 HydrophobicContact CD1-CG 4.17Å; L393-Y633 HydrophobicContact CD2-CD1 4.48Å; L393-Y633 HydrophobicContact CG-CD1 4.35Å |
| 394 | N | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -57.6 | 149.9 | 173.4 | -67.7 | -70.4 | 0 | 0 | 0 | 109.4 | T380 G382 G383 F391 Q396 V492 | T380-N394 WeakPolarHBondContact O-CA 3.47Å; T380-N394 PolarHBondContact O-OD1 3.49Å; G382-N394 PolarHBondContact N-OD1 2.94Å; G382-N394 VanDerWaalsContact N-OD1 3.13Å; G383-N394 PolarHBondContact O-ND2 3.11Å; F391-N394 PolarHBondContact O-N 3.49Å; F391-N394 PolarHBondContact O-ND2 3.4Å; N394-Q396 WeakPolarHBondContact O-CG 3.33Å; N394-V492 HydrophobicContact CB-CG1 3.74Å |
| 395 | P | 93.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | trans | -56 | 146.8 | 174.6 | -23.6 | 35.9 | 0 | 0 | 0 | 110.9 | T380 F397 P493 F504 | T380-P395 HydrophobicContact CG2-CG 4.49Å; P395-F397 HydrophobicContact CB-CE2 3.84Å; P395-F397 HydrophobicContact CB-CZ 4.02Å; P395-P493 WeakPolarHBondContact O-CD 3.45Å; P395-F504 HydrophobicContact CB-CZ 4.09Å; P395-F504 HydrophobicContact CG-CE1 4.08Å; P395-F504 HydrophobicContact CG-CZ 3.94Å | ||
| 396 | Q | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.8 | -175.3 | -59.5 | -176.9 | 15.5 | 0 | 0 | 109.3 | W392 N394 H454 L455 V490 V492 L519 | W392-Q396 PolarHBondContact O-NE2 3.08Å; W392-Q396 VanDerWaalsContact O-NE2 3.11Å; N394-Q396 WeakPolarHBondContact O-CG 3.33Å; Q396-H454 PolarHBondContact NE2-CE1 3.04Å; Q396-H454 PolarHBondContact NE2-NE2 2.89Å; Q396-L455 PolarHBondContact NE2-O 2.78Å; Q396-L455 VanDerWaalsContact OE1-CB 3.26Å; Q396-V490 HydrophobicContact CB-CG1 3.8Å; Q396-V490 HydrophobicContact CG-CG1 4.36Å; Q396-V492 HydrophobicContact CG-CG2 4.33Å; Q396-L519 HydrophobicContact CB-CB 3.88Å; Q396-L519 WeakPolarHBondContact O-CA 3.26Å; Q396-L519 PolarHBondContact O-N 2.92Å |
| 397 | F | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.3 | -178.8 | -57.8 | -86.7 | 0 | 0 | 0 | 109.9 | F371 P395 V490 I491 P493 F504 L506 E517 E518 | F371-F397 HydrophobicContact CB-CD1 3.72Å; F371-F397 HydrophobicContact CB-CE1 3.44Å; F371-F397 VanDerWaalsContact CB-CE1 3.44Å; F371-F397 HydrophobicContact CB-CZ 4.17Å; F371-F397 AromaticContact CD1-CD1 3.9Å; F371-F397 HydrophobicContact CD1-CD1 3.9Å; F371-F397 HydrophobicContact CD1-CE1 4.14Å; F371-F397 HydrophobicContact CD2-CD1 4.03Å; F371-F397 AromaticContact CG-CD1 3.6Å; F371-F397 HydrophobicContact CG-CD1 3.6Å; F371-F397 AromaticContact CG-CE1 3.84Å; F371-F397 HydrophobicContact CG-CE1 3.84Å; P395-F397 HydrophobicContact CB-CE2 3.84Å; P395-F397 HydrophobicContact CB-CZ 4.02Å; F397-V490 CarbonylContact O-C 3.25Å; F397-V490 WeakPolarHBondContact O-CA 3.28Å; F397-I491 HydrophobicContact CB-CB 4.45Å; F397-I491 PolarHBondContact N-O 3Å; F397-I491 PolarHBondContact O-N 2.79Å; F397-P493 HydrophobicContact CD2-CG 3.94Å; F397-P493 HydrophobicContact CE2-CG 3.63Å; F397-F504 AromaticContact CE2-CE2 3.81Å; F397-F504 HydrophobicContact CE2-CE2 3.81Å; F397-F504 AromaticContact CE2-CZ 3.93Å; F397-F504 HydrophobicContact CE2-CZ 3.93Å; F397-F504 AromaticContact CZ-CE2 4Å; F397-F504 HydrophobicContact CZ-CE2 4Å; F397-F504 HydrophobicContact CZ-CZ 4.13Å; F397-L506 HydrophobicContact CB-CD2 3.8Å; F397-L506 HydrophobicContact CD1-CD2 4.41Å; F397-L506 HydrophobicContact CD2-CD2 3.4Å; F397-L506 VanDerWaalsContact CD2-CD2 3.4Å; F397-L506 HydrophobicContact CE2-CD2 4.08Å; F397-L506 HydrophobicContact CG-CD2 3.6Å; F397-E517 CarbonylContact C-O 3.43Å; F397-E517 WeakPolarHBondContact CA-O 3.38Å; F397-E518 HydrophobicContact CD1-CB 4.04Å; F397-E518 HydrophobicContact CD1-CG 3.97Å; F397-E518 HydrophobicContact CE1-CB 4.11Å; F397-E518 HydrophobicContact CE1-CG 3.7Å |
| 398 | K | 91.1 | Very high | 86 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.017 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 140.5 | 176.4 | -162.6 | 170.3 | 75.3 | -165 | 0 | 110.8 | I400 V443 S450 E488 Y489 S516 E517 L519 | K398-I400 HydrophobicContact CG-CG1 4.5Å; K398-V443 HydrophobicContact CD-CG2 4.34Å; K398-V443 HydrophobicContact CG-CG2 4.41Å; K398-S450 PolarHBondContact NZ-O 3.25Å; K398-E488 HydrophobicContact CD-CB 4.49Å; K398-E488 WeakPolarHBondContact CD-OE2 3.46Å; K398-E488 IonicContact NZ-OE2 2.63Å; K398-Y489 CarbonylContact C-O 3.41Å; K398-Y489 VanDerWaalsContact CA-O 3.26Å; K398-Y489 WeakPolarHBondContact CA-O 3.35Å; K398-S516 VanDerWaalsContact O-CA 3.29Å; K398-S516 WeakPolarHBondContact O-CA 3.1Å; K398-E517 HydrophobicContact CB-CG 3.63Å; K398-E517 HydrophobicContact CD-CG 4.44Å; K398-E517 WeakPolarHBondContact CE-OE1 3.48Å; K398-E517 PolarHBondContact N-O 2.94Å; K398-E517 IonicContact NZ-OE1 3.26Å; K398-E517 PolarHBondContact NZ-OE1 2.79Å; K398-E517 IonicContact NZ-OE2 3.42Å; K398-E517 PolarHBondContact NZ-OE2 3.36Å; K398-E517 PolarHBondContact O-N 3.26Å; K398-L519 HydrophobicContact CB-CD1 3.75Å; K398-L519 HydrophobicContact CB-CD2 4.1Å; K398-L519 HydrophobicContact CB-CG 3.7Å; K398-L519 HydrophobicContact CD-CD1 4.46Å; K398-L519 HydrophobicContact CD-CD2 4.26Å; K398-L519 HydrophobicContact CG-CD1 4.34Å |
| 399 | I | 91.7 | Very high | 85.2 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.7 | 167.1 | 59.3 | 167.4 | 0 | 0 | 0 | 109.3 | F414 L440 E488 Y489 I491 V508 G515 | I399-F414 HydrophobicContact CD1-CD2 4.15Å; I399-F414 HydrophobicContact CD1-CE2 3.54Å; I399-F414 HydrophobicContact CD1-CZ 3.76Å; I399-L440 HydrophobicContact CD1-CD2 3.98Å; I399-E488 WeakPolarHBondContact O-CA 3.48Å; I399-Y489 PolarHBondContact N-O 2.98Å; I399-Y489 PolarHBondContact O-N 3.17Å; I399-I491 HydrophobicContact CD1-CD1 4.26Å; I399-I491 HydrophobicContact CD1-CG1 4.39Å; I399-I491 HydrophobicContact CG1-CD1 4.47Å; I399-I491 HydrophobicContact CG1-CG1 4.47Å; I399-I491 HydrophobicContact CG2-CD1 3.61Å; I399-I491 HydrophobicContact CG2-CG1 4.34Å; I399-V508 HydrophobicContact CG2-CG1 4.23Å; I399-V508 HydrophobicContact CG2-CG2 4.15Å; I399-G515 CarbonylContact C-O 3.56Å; I399-G515 WeakPolarHBondContact CA-O 3.11Å |
| 400 | I | 90.9 | Very high | 84.8 | Confident | 34 Ų | 34 | 39 Ų | 39 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 105.5 | -176.3 | -50.3 | 177.3 | 0 | 0 | 0 | 107.7 | K398 Q402 E488 A514 G515 | K398-I400 HydrophobicContact CG-CG1 4.5Å; I400-Q402 HydrophobicContact CG2-CG 3.86Å; I400-E488 HydrophobicContact CG1-CG 4.22Å; I400-E488 HydrophobicContact CG2-CG 4.17Å; I400-A514 VanDerWaalsContact O-CA 3.31Å; I400-A514 WeakPolarHBondContact O-CA 3.29Å; I400-A514 WeakPolarHBondContact O-CB 3.32Å; I400-G515 PolarHBondContact N-O 3.05Å; I400-G515 PolarHBondContact O-N 3Å; I400-G515 VanDerWaalsContact O-N 3.07Å |
| 401 | L | 89.4 | Confident | 84.5 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 109.7 | 179.7 | -57.1 | 179.4 | 0 | 0 | 0 | 108.8 | C412 F414 L484 V486 G487 Y489 A514 | L401-C412 HydrophobicContact CB-CB 4.06Å; L401-C412 HydrophobicContact CD1-CB 4.13Å; L401-C412 HydrophobicContact CD2-CB 4.3Å; L401-C412 HydrophobicContact CG-CB 4.39Å; L401-F414 HydrophobicContact CD1-CD1 3.92Å; L401-F414 HydrophobicContact CD1-CE1 3.63Å; L401-F414 HydrophobicContact CD1-CZ 4.39Å; L401-F414 HydrophobicContact CD2-CD1 4.13Å; L401-F414 HydrophobicContact CD2-CG 4.49Å; L401-L484 HydrophobicContact CD1-CB 3.99Å; L401-V486 WeakPolarHBondContact O-CA 3.49Å; L401-V486 VanDerWaalsContact O-CG1 3.23Å; L401-V486 WeakPolarHBondContact O-CG1 3.49Å; L401-G487 PolarHBondContact N-O 3.14Å; L401-G487 PolarHBondContact O-N 2.95Å; L401-Y489 HydrophobicContact CD1-CD2 3.89Å; L401-Y489 HydrophobicContact CD1-CE2 3.79Å; L401-Y489 HydrophobicContact CG-CD2 4.31Å; L401-Y489 HydrophobicContact CG-CE2 4.44Å; L401-A514 HydrophobicContact CD2-CB 4.1Å |
| 402 | Q | 84.8 | Confident | 84 | Confident | 113 Ų | 113 | 41.5 Ų | 41.5 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | trans | -108.7 | -28.7 | -174.1 | -64.1 | -175.2 | -22 | 0 | 0 | 114.2 | I400 | I400-Q402 HydrophobicContact CG2-CG 3.86Š| ||
| 403 | H | 82.3 | Confident | 83.7 | Confident | 99 Ų | 99 | 41.1 Ų | 41.1 | 46% | 0.458 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -126.7 | 113 | -167.1 | -61.5 | -48.8 | 0 | 0 | 0 | 110.8 | C412 K512 | H403-C412 VanDerWaalsContact C-SG 3.55Å; H403-C412 PolarHBondContact O-SG 3.15Å; H403-C412 VanDerWaalsContact O-SG 3.35Å; H403-K512 HydrophobicContact CB-CB 3.89Å; H403-K512 HydrophobicContact CB-CG 4.1Å |
| 404 | P | 80.7 | Confident | 83.6 | Confident | 44 Ų | 44 | 41 Ų | 41 | 29% | 0.286 | 25% | 0.252 | S | S | . | . | trans | -60.5 | 156.2 | 173 | -22 | 32.2 | 0 | 0 | 0 | 112.8 | A406 Q409 V486 | P404-A406 VanDerWaalsContact C-N 3.32Å; P404-A406 PolarHBondContact O-N 2.96Å; P404-Q409 WeakPolarHBondContact CB-O 3.45Å; P404-Q409 WeakPolarHBondContact CG-O 3.44Å; P404-V486 HydrophobicContact CG-CG2 3.75Å | ||
| 405 | D | 74.1 | Confident | 83.3 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -67 | -34.8 | -174.1 | -59.1 | -28.7 | 0 | 0 | 0 | 112.5 | D411 S413 | D405-D411 PolarHBondContact N-O 3.12Å; D405-S413 PolarHBondContact OD1-N 3.28Å; D405-S413 WeakPolarHBondContact OD2-CB 3.44Å; D405-S413 PolarHBondContact OD2-N 3.25Å; D405-S413 PolarHBondContact OD2-OG 2.74Å |
| 406 | A | 74.4 | Confident | 83.3 | Confident | 38 Ų | 38 | 41 Ų | 41 | 31% | 0.314 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -139.4 | 151.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | P404 G408 Q409 | P404-A406 VanDerWaalsContact C-N 3.32Å; P404-A406 PolarHBondContact O-N 2.96Å; A406-G408 PolarHBondContact O-N 3.17Å; A406-Q409 HydrophobicContact CB-CG 4.35Å; A406-Q409 PolarHBondContact O-N 3.01Å; A406-Q409 VanDerWaalsContact O-N 3.13Å |
| 407 | P | 66.6 | Low | 83.2 | Confident | 141 Ų | 141 | 41 Ų | 41 | 92% | 0.916 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 123.1 | 174.9 | -17 | 29.3 | 0 | 0 | 0 | 110.9 | ||
| 408 | G | 66.8 | Low | 83.3 | Confident | 89 Ų | 89 | 41 Ų | 41 | 92% | 0.918 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | -2.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A406 | A406-G408 PolarHBondContact O-N 3.17Š|
| 409 | Q | 73.6 | Confident | 83.5 | Confident | 112 Ų | 112 | 40.8 Ų | 40.8 | 52% | 0.523 | 25% | 0.25 | S | S | . | . | trans | -95.1 | 146.5 | 167.1 | -69 | -176.6 | -19.8 | 0 | 0 | 110.6 | P404 A406 | P404-Q409 WeakPolarHBondContact CB-O 3.45Å; P404-Q409 WeakPolarHBondContact CG-O 3.44Å; A406-Q409 HydrophobicContact CB-CG 4.35Å; A406-Q409 PolarHBondContact O-N 3.01Å; A406-Q409 VanDerWaalsContact O-N 3.13Å | ||
| 410 | S | 77.2 | Confident | 83.6 | Confident | 76 Ų | 76 | 40.8 Ų | 40.8 | 53% | 0.531 | 25% | 0.25 | S | S | . | . | trans | -88.4 | -17.6 | 173.4 | 49.3 | 0 | 0 | 0 | 0 | 113.3 | P485 V486 | S410-P485 WeakPolarHBondContact O-CA 3.47Å; S410-V486 PolarHBondContact O-N 3.09Å | ||
| 411 | D | 83.9 | Confident | 83.6 | Confident | 62 Ų | 62 | 41.2 Ų | 41.2 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 145.6 | -163.3 | -55 | -11.9 | 0 | 0 | 0 | 111.4 | D405 L484 | D405-D411 PolarHBondContact N-O 3.12Å; D411-L484 WeakPolarHBondContact CA-O 3.37Å |
| 412 | C | 84.3 | Confident | 83.5 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128 | 174.9 | -55.4 | 0 | 0 | 0 | 0 | 108.4 | L401 H403 L484 | L401-C412 HydrophobicContact CB-CB 4.06Å; L401-C412 HydrophobicContact CD1-CB 4.13Å; L401-C412 HydrophobicContact CD2-CB 4.3Å; L401-C412 HydrophobicContact CG-CB 4.39Å; H403-C412 VanDerWaalsContact C-SG 3.55Å; H403-C412 PolarHBondContact O-SG 3.15Å; H403-C412 VanDerWaalsContact O-SG 3.35Å; C412-L484 PolarHBondContact N-O 2.89Å; C412-L484 PolarHBondContact O-N 2.89Å |
| 413 | S | 84.3 | Confident | 83.5 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.2 | 176.3 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | D405 K483 E511 | D405-S413 PolarHBondContact OD1-N 3.28Å; D405-S413 WeakPolarHBondContact OD2-CB 3.44Å; D405-S413 PolarHBondContact OD2-N 3.25Å; D405-S413 PolarHBondContact OD2-OG 2.74Å; S413-K483 WeakPolarHBondContact OG-CE 3.37Å; S413-E511 PolarHBondContact O-N 2.79Å |
| 414 | F | 86.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 165 | 176 | 65.7 | -77.4 | 0 | 0 | 0 | 110.8 | I399 L401 V416 L440 L482 L484 V508 F509 | I399-F414 HydrophobicContact CD1-CD2 4.15Å; I399-F414 HydrophobicContact CD1-CE2 3.54Å; I399-F414 HydrophobicContact CD1-CZ 3.76Å; L401-F414 HydrophobicContact CD1-CD1 3.92Å; L401-F414 HydrophobicContact CD1-CE1 3.63Å; L401-F414 HydrophobicContact CD1-CZ 4.39Å; L401-F414 HydrophobicContact CD2-CD1 4.13Å; L401-F414 HydrophobicContact CD2-CG 4.49Å; F414-V416 HydrophobicContact CD2-CG2 3.67Å; F414-V416 HydrophobicContact CE2-CG2 3.48Å; F414-V416 VanDerWaalsContact CE2-CG2 3.48Å; F414-L440 HydrophobicContact CE2-CD2 3.78Å; F414-L440 HydrophobicContact CZ-CD2 3.66Å; F414-L482 HydrophobicContact CD1-CB 4.49Å; F414-L482 HydrophobicContact CE1-CB 3.92Å; F414-L482 HydrophobicContact CE2-CB 4.01Å; F414-L482 HydrophobicContact CE2-CD1 3.94Å; F414-L482 HydrophobicContact CZ-CB 3.65Å; F414-L482 HydrophobicContact CZ-CD1 3.98Å; F414-L482 HydrophobicContact CZ-CG 4.47Å; F414-L482 PolarHBondContact N-O 3.38Å; F414-L482 PolarHBondContact O-N 3.46Å; F414-L482 VanDerWaalsContact O-O 3.08Å; F414-L484 HydrophobicContact CE1-CB 4.05Å; F414-L484 HydrophobicContact CE1-CD1 4Å; F414-L484 HydrophobicContact CE1-CG 4.01Å; F414-L484 HydrophobicContact CZ-CD1 3.73Å; F414-L484 HydrophobicContact CZ-CG 4.17Å; F414-V508 HydrophobicContact CD2-CG1 4.31Å; F414-F509 CarbonylContact C-O 3.56Å; F414-F509 WeakPolarHBondContact CA-O 3.37Å; F414-F509 WeakPolarHBondContact CB-O 3.42Å |
| 415 | L | 88.3 | Confident | 83.7 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.4 | -179.5 | 178.3 | 73.3 | 0 | 0 | 0 | 107.6 | V221 E223 R481 V508 F509 | V221-L415 HydrophobicContact CB-CD2 4.03Å; V221-L415 HydrophobicContact CG1-CD2 3.43Å; V221-L415 VanDerWaalsContact CG1-CD2 3.43Å; V221-L415 HydrophobicContact CG2-CD2 3.4Å; V221-L415 HydrophobicContact CG2-CG 4.18Å; E223-L415 HydrophobicContact CG-CD1 4.05Å; E223-L415 HydrophobicContact CG-CD2 4.17Å; L415-R481 HydrophobicContact CD1-CB 4.03Å; L415-V508 CarbonylContact O-C 3.59Å; L415-V508 WeakPolarHBondContact O-CA 3.41Å; L415-F509 HydrophobicContact CB-CB 4.22Å; L415-F509 HydrophobicContact CD2-CD2 4.25Å; L415-F509 PolarHBondContact N-O 2.93Å; L415-F509 PolarHBondContact O-N 3.35Å |
| 416 | V | 91.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.3 | 174.4 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | F414 F438 S479 S480 L482 I491 L506 | F414-V416 HydrophobicContact CD2-CG2 3.67Å; F414-V416 HydrophobicContact CE2-CG2 3.48Å; F414-V416 VanDerWaalsContact CE2-CG2 3.48Å; V416-F438 HydrophobicContact CB-CD2 4.5Å; V416-F438 HydrophobicContact CB-CE1 4.29Å; V416-F438 HydrophobicContact CB-CE2 3.72Å; V416-F438 HydrophobicContact CB-CZ 3.6Å; V416-F438 HydrophobicContact CG1-CD1 4.23Å; V416-F438 HydrophobicContact CG1-CD2 3.99Å; V416-F438 HydrophobicContact CG1-CE1 3.93Å; V416-F438 HydrophobicContact CG1-CE2 3.68Å; V416-F438 HydrophobicContact CG1-CG 4.26Å; V416-F438 HydrophobicContact CG1-CZ 3.65Å; V416-F438 HydrophobicContact CG2-CE2 4.4Å; V416-S479 CarbonylContact O-C 3.28Å; V416-S479 WeakPolarHBondContact O-CA 3.29Å; V416-S480 PolarHBondContact N-O 2.91Å; V416-S480 VanDerWaalsContact N-O 3.14Å; V416-S480 PolarHBondContact O-N 2.76Å; V416-L482 HydrophobicContact CG2-CD1 4.29Å; V416-I491 HydrophobicContact CG1-CD1 4.17Å; V416-I491 HydrophobicContact CG1-CG2 4.29Å; V416-I491 HydrophobicContact CG2-CD1 3.98Å; V416-L506 HydrophobicContact CG1-CD1 3.6Å |
| 417 | A | 92.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 119.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V221 E477 R507 F509 | V221-A417 HydrophobicContact CG2-CB 3.75Å; A417-E477 HydrophobicContact CB-CG 4.34Å; A417-R507 HydrophobicContact CB-CB 4.29Å; A417-R507 PolarHBondContact N-O 2.91Å; A417-R507 PolarHBondContact O-N 3.13Å; A417-F509 HydrophobicContact CB-CE2 4.41Å |
| 418 | L | 94.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.5 | -179.9 | 175.2 | 63.8 | 0 | 0 | 0 | 109.5 | W375 I436 G437 F438 E477 V478 P493 F504 L506 | W375-L418 HydrophobicContact CH2-CD1 4.19Å; W375-L418 HydrophobicContact CH2-CD2 4.21Å; W375-L418 HydrophobicContact CH2-CG 4.45Å; W375-L418 HydrophobicContact CZ2-CD1 4.33Å; W375-L418 HydrophobicContact CZ2-CD2 4.25Å; L418-I436 HydrophobicContact CD2-CB 4.31Å; L418-I436 HydrophobicContact CG-CD1 4.32Å; L418-G437 WeakPolarHBondContact CD2-O 3.31Å; L418-F438 HydrophobicContact CB-CD1 3.93Å; L418-F438 HydrophobicContact CB-CE1 4.48Å; L418-F438 HydrophobicContact CD2-CB 4.41Å; L418-F438 HydrophobicContact CD2-CD1 4.38Å; L418-E477 CarbonylContact O-C 3.52Å; L418-E477 VanDerWaalsContact O-CA 3.28Å; L418-E477 WeakPolarHBondContact O-CA 3.02Å; L418-V478 PolarHBondContact N-O 3.11Å; L418-V478 PolarHBondContact O-N 2.8Å; L418-P493 HydrophobicContact CD1-CB 3.55Å; L418-P493 HydrophobicContact CD2-CB 3.64Å; L418-P493 HydrophobicContact CG-CB 4.21Å; L418-F504 HydrophobicContact CD1-CB 3.98Å; L418-F504 HydrophobicContact CD1-CD2 3.5Å; L418-F504 VanDerWaalsContact CD1-CD2 3.5Å; L418-F504 HydrophobicContact CD1-CE2 4.21Å; L418-F504 HydrophobicContact CD1-CG 3.93Å; L418-L506 HydrophobicContact CB-CD1 4.29Å; L418-L506 HydrophobicContact CD1-CD1 4.37Å |
| 419 | M | 94.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.5 | -176.8 | -172.7 | -177.8 | -63 | 0 | 0 | 111.8 | W154 F156 E215 R476 E477 F504 V505 | W154-M419 HydrophobicContact CH2-CE 3.94Å; W154-M419 HydrophobicContact CH2-SD 4.21Å; W154-M419 HydrophobicContact CZ3-CE 3.68Å; W154-M419 HydrophobicContact CZ3-SD 3.85Å; F156-M419 HydrophobicContact CD1-CG 4.2Å; F156-M419 HydrophobicContact CD1-SD 3.58Å; F156-M419 VanDerWaalsContact CD1-SD 3.58Å; F156-M419 HydrophobicContact CE1-CG 4.36Å; F156-M419 HydrophobicContact CE1-SD 3.92Å; E215-M419 HydrophobicContact CB-CE 4.34Å; E215-M419 HydrophobicContact CG-CE 4.19Å; E215-M419 WeakPolarHBondContact OE2-CE 3.28Å; M419-R476 CarbonylContact C-O 3.6Å; M419-R476 VanDerWaalsContact CA-O 3.29Å; M419-R476 WeakPolarHBondContact CA-O 3.17Å; M419-R476 HydrophobicContact CG-CG 4.17Å; M419-E477 HydrophobicContact CB-CB 4.18Å; M419-E477 HydrophobicContact CB-CG 4.41Å; M419-E477 HydrophobicContact CE-CB 4.2Å; M419-E477 WeakPolarHBondContact CE-OE2 2.97Å; M419-E477 HydrophobicContact CG-CB 4.25Å; M419-F504 CarbonylContact O-C 3.58Å; M419-F504 WeakPolarHBondContact O-CA 3.26Å; M419-F504 VanDerWaalsContact O-CB 3.24Å; M419-F504 WeakPolarHBondContact O-CB 3.42Å; M419-V505 PolarHBondContact N-O 2.95Å; M419-V505 PolarHBondContact O-N 2.98Å |
| 420 | Q | 94 | Very high | 86 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 138.7 | 172.7 | 60.5 | -175.9 | -48.1 | 0 | 0 | 112.3 | R423 M433 E434 I436 L475 R476 D503 | Q420-R423 HydrophobicContact CB-CG 4.32Å; Q420-R423 HydrophobicContact CG-CG 3.78Å; Q420-M433 HydrophobicContact CG-SD 4.07Å; Q420-E434 PolarHBondContact NE2-O 3.41Å; Q420-I436 HydrophobicContact CB-CD1 4.19Å; Q420-I436 HydrophobicContact CG-CD1 4.1Å; Q420-L475 PolarHBondContact NE2-O 3.06Å; Q420-R476 WeakPolarHBondContact CG-O 3.09Å; Q420-R476 PolarHBondContact N-O 3.08Å; Q420-D503 CarbonylContact C-O 3.52Å; Q420-D503 WeakPolarHBondContact CA-O 3.5Å |
| 421 | K | 92.1 | Very high | 86.2 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 19% | 0.187 | 19% | 0.192 | C | C | . | . | trans | -90.9 | 147.9 | -173.7 | -49.3 | -170.8 | -179.3 | -168.8 | 0 | 114.1 | F156 R423 D503 F504 V505 | F156-K421 HydrophobicContact CB-CD 3.87Å; F156-K421 HydrophobicContact CB-CG 4Å; F156-K421 HydrophobicContact CD1-CB 4.02Å; F156-K421 HydrophobicContact CD1-CD 4.48Å; F156-K421 HydrophobicContact CD1-CG 3.71Å; F156-K421 HydrophobicContact CD2-CB 4.11Å; F156-K421 HydrophobicContact CD2-CD 4.27Å; F156-K421 HydrophobicContact CD2-CG 4.15Å; F156-K421 HydrophobicContact CE1-CB 4.08Å; F156-K421 HydrophobicContact CE1-CG 4.26Å; F156-K421 HydrophobicContact CE2-CB 4.14Å; F156-K421 HydrophobicContact CG-CB 4.06Å; F156-K421 HydrophobicContact CG-CD 3.95Å; F156-K421 HydrophobicContact CG-CG 3.67Å; F156-K421 HydrophobicContact CZ-CB 4.14Å; K421-R423 PolarHBondContact O-N 2.73Å; K421-D503 HydrophobicContact CB-CB 4.04Å; K421-D503 HydrophobicContact CD-CB 3.92Å; K421-D503 HydrophobicContact CG-CB 4.04Å; K421-D503 PolarHBondContact N-O 3.33Å; K421-F504 WeakPolarHBondContact CE-O 3.27Å; K421-V505 HydrophobicContact CD-CG2 4.34Å; K421-V505 HydrophobicContact CG-CG2 4.35Å | ||
| 422 | D | 85.9 | Confident | 86.2 | Confident | 57 Ų | 57 | 39 Ų | 39 | 31% | 0.305 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 53.8 | 20.6 | 163.2 | -70.1 | -48.3 | 0 | 0 | 0 | 117.2 | F156 R424 K425 | F156-D422 VanDerWaalsContact CZ-N 3.29Å; D422-R424 VanDerWaalsContact C-N 3.35Å; D422-R424 PolarHBondContact O-N 2.72Å; D422-K425 HydrophobicContact CB-CD 4.24Å; D422-K425 PolarHBondContact O-N 3.42Å; D422-K425 WeakPolarHBondContact OD1-CE 3.21Å; D422-K425 IonicContact OD1-NZ 3.6Å; D422-K425 PolarHBondContact OD1-NZ 2.64Å |
| 423 | R | 86.1 | Confident | 86.4 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -34.6 | -176.8 | -58.2 | -60.5 | -65.8 | -166.9 | 1 | 113 | Q420 K421 K425 K426 D432 M433 E434 D501 | Q420-R423 HydrophobicContact CB-CG 4.32Å; Q420-R423 HydrophobicContact CG-CG 3.78Å; K421-R423 PolarHBondContact O-N 2.73Å; R423-K425 VanDerWaalsContact C-N 3.3Å; R423-K425 PolarHBondContact O-N 2.88Å; R423-K426 WeakPolarHBondContact O-CB 3.43Å; R423-K426 PolarHBondContact O-N 2.92Å; R423-D432 VanDerWaalsContact CZ-O 3.31Å; R423-D432 PolarHBondContact NE-O 3.49Å; R423-D432 PolarHBondContact NH2-O 2.84Å; R423-M433 HydrophobicContact CB-CE 4.12Å; R423-M433 HydrophobicContact CB-SD 3.49Å; R423-M433 WeakPolarHBondContact CB-SD 3.46Å; R423-M433 HydrophobicContact CG-SD 3.71Å; R423-E434 IonicContact CZ-OE1 3.65Å; R423-E434 IonicContact NH1-OE1 3.59Å; R423-E434 VanDerWaalsContact NH2-CD 3.27Å; R423-E434 VanDerWaalsContact NH2-CG 3.29Å; R423-E434 IonicContact NH2-OE1 2.73Å; R423-E434 PolarHBondContact NH2-OE1 3.22Å; R423-D501 PolarHBondContact NH1-O 3.2Å |
| 424 | R | 83.3 | Confident | 86.8 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 3% | 0.034 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -58.8 | -39.2 | 177.9 | -71.3 | -177.2 | 174.7 | -78.1 | -7.8 | 112.6 | N199 A204 G207 E212 D422 K426 R427 M433 | N199-R424 WeakPolarHBondContact OD1-CD 3.32Å; A204-R424 PolarHBondContact O-NH1 3.26Å; G207-R424 PolarHBondContact O-NH1 2.7Å; G207-R424 PolarHBondContact O-NH2 3.13Å; E212-R424 IonicContact OE1-NH2 3.09Å; E212-R424 PolarHBondContact OE1-NH2 2.81Å; E212-R424 IonicContact OE2-CZ 3.65Å; E212-R424 VanDerWaalsContact OE2-CZ 3.23Å; E212-R424 IonicContact OE2-NE 3.79Å; E212-R424 PolarHBondContact OE2-NE 2.66Å; E212-R424 IonicContact OE2-NH2 3.88Å; E212-R424 PolarHBondContact OE2-NH2 2.86Å; D422-R424 VanDerWaalsContact C-N 3.35Å; D422-R424 PolarHBondContact O-N 2.72Å; R424-K426 PolarHBondContact O-N 2.72Å; R424-R427 WeakPolarHBondContact O-CB 3.35Å; R424-R427 PolarHBondContact O-N 3.02Å; R424-R427 VanDerWaalsContact O-N 3.15Å; R424-M433 HydrophobicContact CG-CE 4.24Å |
| 425 | K | 82.4 | Confident | 87.2 | Confident | 81 Ų | 81 | 44 Ų | 44 | 35% | 0.352 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -62 | -30.6 | 177 | -65.4 | 172.4 | -177.9 | 160.2 | 0 | 112.1 | L198 D422 R423 R427 | L198-K425 WeakPolarHBondContact O-CE 3.43Å; D422-K425 HydrophobicContact CB-CD 4.24Å; D422-K425 PolarHBondContact O-N 3.42Å; D422-K425 WeakPolarHBondContact OD1-CE 3.21Å; D422-K425 IonicContact OD1-NZ 3.6Å; D422-K425 PolarHBondContact OD1-NZ 2.64Å; R423-K425 VanDerWaalsContact C-N 3.3Å; R423-K425 PolarHBondContact O-N 2.88Å; K425-R427 VanDerWaalsContact C-N 3.32Å; K425-R427 PolarHBondContact O-N 3.13Å |
| 426 | K | 83.2 | Confident | 87.6 | Confident | 58 Ų | 58 | 43.9 Ų | 43.9 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -81.5 | -4.6 | -179.8 | -57.1 | -176.7 | -178.5 | 177.2 | 0 | 113.8 | R423 R424 R428 E429 K431 | R423-K426 WeakPolarHBondContact O-CB 3.43Å; R423-K426 PolarHBondContact O-N 2.92Å; R424-K426 PolarHBondContact O-N 2.72Å; K426-R428 PolarHBondContact O-N 2.97Å; K426-E429 WeakPolarHBondContact O-CA 3.47Å; K426-E429 WeakPolarHBondContact O-CB 3.3Å; K426-E429 PolarHBondContact O-N 3Å; K426-K431 CarbonylContact C-O 3.44Å; K426-K431 HydrophobicContact CB-CB 4Å; K426-K431 HydrophobicContact CB-CD 4.44Å; K426-K431 HydrophobicContact CD-CD 4.48Å; K426-K431 PolarHBondContact O-N 2.85Å |
| 427 | R | 83.3 | Confident | 87.8 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 19% | 0.185 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -62.2 | -28.4 | 175.5 | -72.5 | -176.5 | 171 | -178.9 | -3.8 | 113.4 | F70 S206 G207 R424 K425 E429 G430 K431 D432 | F70-R427 HydrophobicContact CZ-CB 3.87Å; S206-R427 PolarHBondContact O-NH1 3.12Å; G207-R427 PolarHBondContact O-NH1 3.32Å; R424-R427 WeakPolarHBondContact O-CB 3.35Å; R424-R427 PolarHBondContact O-N 3.02Å; R424-R427 VanDerWaalsContact O-N 3.15Å; K425-R427 VanDerWaalsContact C-N 3.32Å; K425-R427 PolarHBondContact O-N 3.13Å; R427-E429 PolarHBondContact O-N 3.41Å; R427-G430 PolarHBondContact O-N 3.09Å; R427-K431 VanDerWaalsContact CA-O 3.25Å; R427-K431 WeakPolarHBondContact CA-O 3.3Å; R427-K431 WeakPolarHBondContact CG-O 3.49Å; R427-K431 PolarHBondContact N-O 3.4Å; R427-D432 IonicContact CZ-OD1 2.86Å; R427-D432 IonicContact NE-OD1 3.59Å; R427-D432 PolarHBondContact NE-OD1 2.76Å; R427-D432 IonicContact NH2-OD1 3.73Å; R427-D432 PolarHBondContact NH2-OD1 3.37Å; R427-D432 VanDerWaalsContact NH2-OD1 3.08Å; R427-D432 IonicContact NH2-OD2 2.75Å |
| 428 | R | 79.3 | Confident | 88 | Confident | 123 Ų | 123 | 43.9 Ų | 43.9 | 46% | 0.464 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -59.6 | -27.5 | 170.3 | -71.5 | -179.2 | 178.5 | -170.9 | 3 | 113.1 | S66 F70 G200 C201 K426 G430 | S66-R428 PolarHBondContact O-NH2 3.03Å; S66-R428 VanDerWaalsContact O-NH2 3.09Å; F70-R428 HydrophobicContact CB-CG 4.15Å; F70-R428 HydrophobicContact CD1-CG 3.4Å; F70-R428 HydrophobicContact CD2-CG 4.33Å; F70-R428 HydrophobicContact CE1-CG 3.78Å; F70-R428 HydrophobicContact CG-CG 3.71Å; F70-R428 HydrophobicContact CZ-CG 4.41Å; G200-R428 PolarHBondContact O-NH2 2.77Å; C201-R428 PolarHBondContact SG-NH2 2.79Å; K426-R428 PolarHBondContact O-N 2.97Å; R428-G430 VanDerWaalsContact C-N 3.34Å |
| 429 | E | 81.3 | Confident | 88 | Confident | 125 Ų | 125 | 44.4 Ų | 44.4 | 58% | 0.584 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -91.1 | 4.1 | 175.9 | -55.1 | 174.3 | -167.6 | 0 | 0 | 112.5 | K426 R427 K431 | K426-E429 WeakPolarHBondContact O-CA 3.47Å; K426-E429 WeakPolarHBondContact O-CB 3.3Å; K426-E429 PolarHBondContact O-N 3Å; R427-E429 PolarHBondContact O-N 3.41Å; E429-K431 VanDerWaalsContact C-N 3.32Å; E429-K431 IonicContact OE2-NZ 3.1Å; E429-K431 PolarHBondContact OE2-NZ 3.34Å |
| 430 | G | 76.7 | Confident | 88.1 | Confident | 73 Ų | 73 | 44.4 Ų | 44.4 | 75% | 0.753 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 14.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R427 R428 | R427-G430 PolarHBondContact O-N 3.09Å; R428-G430 VanDerWaalsContact C-N 3.34Å |
| 431 | K | 81.6 | Confident | 88.1 | Confident | 102 Ų | 102 | 44.4 Ų | 44.4 | 44% | 0.443 | 23% | 0.225 | S | C | . | . | trans | -98 | 140.1 | 175.4 | -62.6 | 173.3 | -173.9 | 151.8 | 0 | 110.4 | K426 R427 E429 | K426-K431 CarbonylContact C-O 3.44Å; K426-K431 HydrophobicContact CB-CB 4Å; K426-K431 HydrophobicContact CB-CD 4.44Å; K426-K431 HydrophobicContact CD-CD 4.48Å; K426-K431 PolarHBondContact O-N 2.85Å; R427-K431 VanDerWaalsContact CA-O 3.25Å; R427-K431 WeakPolarHBondContact CA-O 3.3Å; R427-K431 WeakPolarHBondContact CG-O 3.49Å; R427-K431 PolarHBondContact N-O 3.4Å; E429-K431 VanDerWaalsContact C-N 3.32Å; E429-K431 IonicContact OE2-NZ 3.1Å; E429-K431 PolarHBondContact OE2-NZ 3.34Å | ||
| 432 | D | 84.4 | Confident | 88.1 | Confident | 75 Ų | 75 | 47.8 Ų | 47.8 | 40% | 0.401 | 24% | 0.241 | S | C | . | . | trans | -120.9 | -166.3 | 175.4 | -158.2 | 14.8 | 0 | 0 | 0 | 111.2 | R423 R427 | R423-D432 VanDerWaalsContact CZ-O 3.31Å; R423-D432 PolarHBondContact NE-O 3.49Å; R423-D432 PolarHBondContact NH2-O 2.84Å; R427-D432 IonicContact CZ-OD1 2.86Å; R427-D432 IonicContact NE-OD1 3.59Å; R427-D432 PolarHBondContact NE-OD1 2.76Å; R427-D432 IonicContact NH2-OD1 3.73Å; R427-D432 PolarHBondContact NH2-OD1 3.37Å; R427-D432 VanDerWaalsContact NH2-OD1 3.08Å; R427-D432 IonicContact NH2-OD2 2.75Å | ||
| 433 | M | 88.9 | Confident | 88.3 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | trans | -56.3 | 134.2 | 174.8 | -61.9 | -62.2 | 177.7 | 0 | 0 | 111.7 | Q420 R423 R424 N474 R476 | Q420-M433 HydrophobicContact CG-SD 4.07Å; R423-M433 HydrophobicContact CB-CE 4.12Å; R423-M433 HydrophobicContact CB-SD 3.49Å; R423-M433 WeakPolarHBondContact CB-SD 3.46Å; R423-M433 HydrophobicContact CG-SD 3.71Å; R424-M433 HydrophobicContact CG-CE 4.24Å; M433-N474 WeakPolarHBondContact CB-O 3.32Å; M433-R476 HydrophobicContact CE-CB 3.81Å; M433-R476 HydrophobicContact CE-CG 4.02Å; M433-R476 HydrophobicContact SD-CB 4.19Å; M433-R476 HydrophobicContact SD-CG 4.44Å | ||
| 434 | E | 92.8 | Very high | 88.3 | Confident | 42 Ų | 42 | 46.2 Ų | 46.2 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | trans | -78 | 155.2 | 167.4 | -63.6 | -57.5 | 158.9 | 0 | 0 | 110.3 | Q420 R423 I436 T495 K500 | Q420-E434 PolarHBondContact NE2-O 3.41Å; R423-E434 IonicContact CZ-OE1 3.65Å; R423-E434 IonicContact NH1-OE1 3.59Å; R423-E434 VanDerWaalsContact NH2-CD 3.27Å; R423-E434 VanDerWaalsContact NH2-CG 3.29Å; R423-E434 IonicContact NH2-OE1 2.73Å; R423-E434 PolarHBondContact NH2-OE1 3.22Å; E434-I436 HydrophobicContact CB-CG2 4.29Å; E434-I436 PolarHBondContact O-N 3.16Å; E434-T495 HydrophobicContact CB-CG2 4.13Å; E434-T495 HydrophobicContact CG-CG2 4.41Å; E434-K500 HydrophobicContact CG-CB 4.36Å | ||
| 435 | T | 94.8 | Very high | 88.3 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | trans | -73.7 | 113.5 | 168.2 | -49.8 | 0 | 0 | 0 | 0 | 109.5 | F472 T495 F496 | T435-F472 VanDerWaalsContact CG2-C 3.42Å; T435-F472 HydrophobicContact CG2-CB 3.76Å; T435-F472 WeakPolarHBondContact CG2-O 3.37Å; T435-T495 CarbonylContact O-C 3.57Å; T435-T495 WeakPolarHBondContact O-CA 3.37Å; T435-F496 HydrophobicContact CG2-CB 3.9Å; T435-F496 PolarHBondContact O-N 3.27Å | ||
| 436 | I | 96.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 160.2 | -176.7 | 61.7 | 175.9 | 0 | 0 | 0 | 111.8 | W375 L418 Q420 E434 F472 I473 V478 T495 | W375-I436 HydrophobicContact CH2-CB 4.46Å; W375-I436 HydrophobicContact CH2-CG2 3.9Å; W375-I436 HydrophobicContact CZ3-CG2 4.01Å; L418-I436 HydrophobicContact CD2-CB 4.31Å; L418-I436 HydrophobicContact CG-CD1 4.32Å; Q420-I436 HydrophobicContact CB-CD1 4.19Å; Q420-I436 HydrophobicContact CG-CD1 4.1Å; E434-I436 HydrophobicContact CB-CG2 4.29Å; E434-I436 PolarHBondContact O-N 3.16Å; I436-F472 VanDerWaalsContact C-CD1 3.48Å; I436-F472 WeakPolarHBondContact O-CA 3.41Å; I436-I473 PolarHBondContact N-O 3.34Å; I436-I473 VanDerWaalsContact N-O 3.08Å; I436-I473 PolarHBondContact O-N 2.88Å; I436-V478 HydrophobicContact CD1-CG2 4.24Å; I436-V478 HydrophobicContact CG1-CG2 3.72Å; I436-T495 HydrophobicContact CG2-CG2 4.08Å |
| 437 | G | 96.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.8 | 177.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L418 S469 S494 | L418-G437 WeakPolarHBondContact CD2-O 3.31Å; G437-S469 WeakPolarHBondContact CA-OG 3.48Å; G437-S494 PolarHBondContact N-O 3.18Å; G437-S494 PolarHBondContact O-N 3.49Å |
| 438 | F | 96.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 156.4 | -178.1 | 59.8 | -95.5 | 0 | 0 | 0 | 112.1 | V416 L418 L440 R468 S469 V478 L482 I491 V492 P493 | V416-F438 HydrophobicContact CB-CD2 4.5Å; V416-F438 HydrophobicContact CB-CE1 4.29Å; V416-F438 HydrophobicContact CB-CE2 3.72Å; V416-F438 HydrophobicContact CB-CZ 3.6Å; V416-F438 HydrophobicContact CG1-CD1 4.23Å; V416-F438 HydrophobicContact CG1-CD2 3.99Å; V416-F438 HydrophobicContact CG1-CE1 3.93Å; V416-F438 HydrophobicContact CG1-CE2 3.68Å; V416-F438 HydrophobicContact CG1-CG 4.26Å; V416-F438 HydrophobicContact CG1-CZ 3.65Å; V416-F438 HydrophobicContact CG2-CE2 4.4Å; L418-F438 HydrophobicContact CB-CD1 3.93Å; L418-F438 HydrophobicContact CB-CE1 4.48Å; L418-F438 HydrophobicContact CD2-CB 4.41Å; L418-F438 HydrophobicContact CD2-CD1 4.38Å; F438-L440 HydrophobicContact CD2-CD1 3.55Å; F438-L440 HydrophobicContact CE2-CD1 3.67Å; F438-R468 WeakPolarHBondContact O-CA 3.48Å; F438-S469 PolarHBondContact N-OG 2.84Å; F438-S469 VanDerWaalsContact N-OG 3.12Å; F438-S469 PolarHBondContact O-N 3.09Å; F438-S469 PolarHBondContact O-OG 3.33Å; F438-V478 HydrophobicContact CE1-CG1 4.43Å; F438-L482 HydrophobicContact CE2-CD1 4.24Å; F438-I491 HydrophobicContact CB-CG2 4.17Å; F438-I491 HydrophobicContact CD2-CG2 4.29Å; F438-I491 HydrophobicContact CG-CG2 4.45Å; F438-V492 WeakPolarHBondContact CA-O 3.34Å; F438-P493 HydrophobicContact CB-CB 4.47Å |
| 439 | A | 96.1 | Very high | 87.7 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F391 Y441 R468 I491 V492 | F391-A439 HydrophobicContact CZ-CB 4.36Å; A439-Y441 HydrophobicContact CB-CE2 3.71Å; A439-R468 HydrophobicContact CB-CB 4.44Å; A439-I491 WeakPolarHBondContact O-CA 3.42Å; A439-V492 PolarHBondContact N-O 3.03Å; A439-V492 PolarHBondContact O-N 3.08Å |
| 440 | L | 95.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.7 | 178.9 | -75.6 | 82.2 | 0 | 0 | 0 | 110.3 | I399 F414 F438 S465 S466 A467 L482 L484 V490 I491 | I399-L440 HydrophobicContact CD1-CD2 3.98Å; F414-L440 HydrophobicContact CE2-CD2 3.78Å; F414-L440 HydrophobicContact CZ-CD2 3.66Å; F438-L440 HydrophobicContact CD2-CD1 3.55Å; F438-L440 HydrophobicContact CE2-CD1 3.67Å; L440-S465 CarbonylContact O-C 3.55Å; L440-S465 VanDerWaalsContact O-CA 3.26Å; L440-S465 WeakPolarHBondContact O-CA 3.49Å; L440-S465 WeakPolarHBondContact O-CB 3.41Å; L440-S466 PolarHBondContact O-N 3.34Å; L440-A467 HydrophobicContact CB-CB 4.12Å; L440-A467 HydrophobicContact CD1-CB 4.43Å; L440-A467 PolarHBondContact N-O 3.04Å; L440-A467 PolarHBondContact O-N 2.95Å; L440-L482 HydrophobicContact CD1-CD1 3.66Å; L440-L482 HydrophobicContact CD2-CD1 3.87Å; L440-L482 HydrophobicContact CG-CD1 4.42Å; L440-L484 HydrophobicContact CD2-CD1 3.95Å; L440-V490 CarbonylContact C-O 3.58Å; L440-V490 VanDerWaalsContact CA-O 3.25Å; L440-V490 WeakPolarHBondContact CA-O 3.44Å; L440-I491 HydrophobicContact CD1-CG1 4.47Å; L440-I491 HydrophobicContact CD2-CG1 4.13Å; L440-I491 HydrophobicContact CG-CG1 3.94Å |
| 441 | Y | 94.5 | Very high | 87 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 139.9 | 177.9 | -65.9 | -93.3 | 0 | 0 | 0 | 110 | R385 F391 A439 F459 F460 H463 A464 Y489 V490 V492 | R385-Y441 WeakPolarHBondContact CD-OH 3.46Å; F391-Y441 AromaticContact CE1-CE2 3.97Å; F391-Y441 HydrophobicContact CE1-CE2 3.97Å; F391-Y441 HydrophobicContact CZ-CE2 4.12Å; A439-Y441 HydrophobicContact CB-CE2 3.71Å; Y441-F459 HydrophobicContact CD1-CE1 4.19Å; Y441-F459 HydrophobicContact CG-CE1 4.09Å; Y441-F459 HydrophobicContact CG-CZ 4.5Å; Y441-F460 HydrophobicContact CD1-CD1 4.33Å; Y441-F460 HydrophobicContact CD2-CD1 4.07Å; Y441-F460 AromaticContact CD2-CE1 3.76Å; Y441-F460 HydrophobicContact CD2-CE1 3.76Å; Y441-F460 HydrophobicContact CE1-CD1 4.1Å; Y441-F460 AromaticContact CE2-CD1 3.83Å; Y441-F460 HydrophobicContact CE2-CD1 3.83Å; Y441-F460 AromaticContact CE2-CE1 3.86Å; Y441-F460 HydrophobicContact CE2-CE1 3.86Å; Y441-F460 HydrophobicContact CG-CD1 4.31Å; Y441-F460 HydrophobicContact CG-CE1 4.18Å; Y441-F460 AromaticContact CZ-CD1 3.86Å; Y441-H463 HydrophobicContact CD1-CB 4.46Å; Y441-A464 WeakPolarHBondContact CD1-O 3.32Å; Y441-Y489 CarbonylContact O-C 3.57Å; Y441-Y489 WeakPolarHBondContact O-CA 3.03Å; Y441-V490 PolarHBondContact N-O 3.32Å; Y441-V490 PolarHBondContact O-N 2.95Å; Y441-V492 HydrophobicContact CD2-CG2 4.42Å |
| 442 | E | 92.9 | Very high | 86.3 | Confident | 113 Ų | 113 | 51 Ų | 51 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 136.1 | 171.7 | -169.3 | 176.8 | 167.3 | 0 | 0 | 110.3 | S466 Y489 | E442-S466 PolarHBondContact N-OG 2.85Å; E442-Y489 HydrophobicContact CB-CD1 4.04Å; E442-Y489 HydrophobicContact CB-CE1 3.88Å; E442-Y489 HydrophobicContact CG-CD1 4.43Å; E442-Y489 HydrophobicContact CG-CE1 4.02Å |
| 443 | V | 88.6 | Confident | 85.9 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -71 | 129.1 | 177.3 | 177 | 0 | 0 | 0 | 0 | 109.3 | K398 F447 V448 E488 V490 | K398-V443 HydrophobicContact CD-CG2 4.34Å; K398-V443 HydrophobicContact CG-CG2 4.41Å; V443-F447 HydrophobicContact CG1-CB 3.79Å; V443-V448 HydrophobicContact CG1-CG2 4.3Å; V443-E488 HydrophobicContact CB-CB 3.91Å; V443-E488 HydrophobicContact CG2-CB 3.8Å; V443-E488 WeakPolarHBondContact CG2-O 3.35Å; V443-E488 PolarHBondContact N-O 2.86Å; V443-V490 HydrophobicContact CG2-CG2 3.58Å |
| 444 | P | 86.5 | Confident | 85.6 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 144.9 | 173.1 | -27.2 | 35.7 | 0 | 0 | 0 | 112.3 | E446 F447 V448 F459 | P444-E446 HydrophobicContact CB-CG 3.68Å; P444-E446 PolarHBondContact O-N 2.96Å; P444-F447 HydrophobicContact CB-CD2 4.09Å; P444-F447 HydrophobicContact CG-CD2 4.14Å; P444-F447 PolarHBondContact O-N 2.78Å; P444-V448 PolarHBondContact O-N 2.96Å; P444-F459 HydrophobicContact CG-CD2 3.77Å; P444-F459 HydrophobicContact CG-CE2 3.4Å; P444-F459 VanDerWaalsContact CG-CE2 3.4Å; P444-F459 HydrophobicContact CG-CZ 4.44Å |
| 445 | R | 82.8 | Confident | 85.4 | Confident | 243 Ų | 243 | 46.9 Ų | 46.9 | 92% | 0.917 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -27.8 | -179.3 | -66.4 | -175.8 | -179.7 | -178.7 | 0.3 | 114.4 | F447 | R445-F447 VanDerWaalsContact C-N 3.31Š|
| 446 | E | 82.2 | Confident | 85 | Confident | 147 Ų | 147 | 47.7 Ų | 47.7 | 69% | 0.687 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -25.1 | 176.7 | 51.7 | -178.2 | -168.8 | 0 | 0 | 113.9 | P444 | P444-E446 HydrophobicContact CB-CG 3.68Å; P444-E446 PolarHBondContact O-N 2.96Å |
| 447 | F | 80.1 | Confident | 84.7 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 30% | 0.303 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -1.1 | -179.1 | -60.7 | -60.7 | 0 | 0 | 0 | 113.5 | V443 P444 R445 G449 S450 V453 L455 | V443-F447 HydrophobicContact CG1-CB 3.79Å; P444-F447 HydrophobicContact CB-CD2 4.09Å; P444-F447 HydrophobicContact CG-CD2 4.14Å; P444-F447 PolarHBondContact O-N 2.78Å; R445-F447 VanDerWaalsContact C-N 3.31Å; F447-G449 PolarHBondContact O-N 3.39Å; F447-S450 VanDerWaalsContact O-CB 3.22Å; F447-S450 WeakPolarHBondContact O-CB 3.34Å; F447-S450 PolarHBondContact O-N 2.96Å; F447-S450 PolarHBondContact O-OG 3.47Å; F447-V453 HydrophobicContact CD1-CB 4.46Å; F447-V453 HydrophobicContact CD1-CG1 3.92Å; F447-V453 HydrophobicContact CD1-CG2 4.1Å; F447-V453 HydrophobicContact CE1-CG1 3.98Å; F447-V453 HydrophobicContact CG-CG1 4.38Å; F447-V453 HydrophobicContact CZ-CG1 4.5Å; F447-L455 HydrophobicContact CD2-CD2 4.34Å |
| 448 | V | 79.4 | Confident | 84.3 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 47% | 0.467 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 130.3 | 175.3 | 172.8 | 0 | 0 | 0 | 0 | 109.8 | V443 P444 S450 | V443-V448 HydrophobicContact CG1-CG2 4.3Å; P444-V448 PolarHBondContact O-N 2.96Å; V448-S450 PolarHBondContact O-N 3.26Å |
| 449 | G | 73.9 | Confident | 84.1 | Confident | 61 Ų | 61 | 58.9 Ų | 58.9 | 63% | 0.629 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -1.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F447 E488 | F447-G449 PolarHBondContact O-N 3.39Å; G449-E488 PolarHBondContact N-OE1 2.9Å; G449-E488 PolarHBondContact N-OE2 2.63Å; G449-E488 VanDerWaalsContact N-OE2 3.15Å |
| 450 | S | 75.3 | Confident | 83.9 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | trans | -82.7 | 131.5 | 172.9 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | K398 F447 V448 | K398-S450 PolarHBondContact NZ-O 3.25Å; F447-S450 VanDerWaalsContact O-CB 3.22Å; F447-S450 WeakPolarHBondContact O-CB 3.34Å; F447-S450 PolarHBondContact O-N 2.96Å; F447-S450 PolarHBondContact O-OG 3.47Å; V448-S450 PolarHBondContact O-N 3.26Å | ||
| 451 | S | 68.8 | Low | 83.7 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | trans | -97.5 | 137 | 172.6 | 66.2 | 0 | 0 | 0 | 0 | 110.5 | K522 | S451-K522 PolarHBondContact OG-NZ 2.98Š| ||
| 452 | G | 66.7 | Low | 83.5 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 77.6 | 44 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D520 | G452-D520 CarbonylContact C-O 3.26Å; G452-D520 VanDerWaalsContact C-O 3.28Å; G452-D520 WeakPolarHBondContact CA-O 3.47Å |
| 453 | V | 75.4 | Confident | 83.4 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | trans | -111 | 116.1 | 172.1 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | F447 | F447-V453 HydrophobicContact CD1-CB 4.46Å; F447-V453 HydrophobicContact CD1-CG1 3.92Å; F447-V453 HydrophobicContact CD1-CG2 4.1Å; F447-V453 HydrophobicContact CE1-CG1 3.98Å; F447-V453 HydrophobicContact CG-CG1 4.38Å; F447-V453 HydrophobicContact CZ-CG1 4.5Å | ||
| 454 | H | 83.3 | Confident | 83.6 | Confident | 3 Ų | 3 | 70 Ų | 70 | 1% | 0.014 | 38% | 0.38 | C | S | . | . | trans | -85.2 | 114.5 | 172.2 | -170.4 | 90.2 | 0 | 0 | 0 | 110.6 | W392 Q396 K456 D521 | W392-H454 AromaticContact CE3-NE2 4Å; W392-H454 PolarHBondContact O-CE1 3.31Å; W392-H454 PolarHBondContact O-NE2 2.57Å; Q396-H454 PolarHBondContact NE2-CE1 3.04Å; Q396-H454 PolarHBondContact NE2-NE2 2.89Å; H454-K456 WeakPolarHBondContact O-CD 3.44Å; H454-K456 WeakPolarHBondContact O-CE 3.33Å; H454-K456 PolarHBondContact O-N 3.01Å; H454-D521 WeakPolarHBondContact CB-OD2 3.18Å | ||
| 455 | L | 87.8 | Confident | 83.9 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 5% | 0.047 | 39% | 0.39 | C | S | . | . | trans | -68.2 | 133.6 | -178.1 | -61.2 | 170.8 | 0 | 0 | 0 | 110.7 | Q396 F447 F459 F460 V490 | Q396-L455 PolarHBondContact NE2-O 2.78Å; Q396-L455 VanDerWaalsContact OE1-CB 3.26Å; F447-L455 HydrophobicContact CD2-CD2 4.34Å; L455-F459 HydrophobicContact CB-CD1 4.02Å; L455-F459 HydrophobicContact CB-CG 4.39Å; L455-F459 HydrophobicContact CD1-CD1 3.83Å; L455-F459 HydrophobicContact CD1-CE1 3.62Å; L455-F459 HydrophobicContact CD1-CG 4.45Å; L455-F459 HydrophobicContact CD1-CZ 4.07Å; L455-F459 HydrophobicContact CD2-CG 4.38Å; L455-F459 HydrophobicContact CG-CD1 4.36Å; L455-F460 HydrophobicContact CB-CE2 3.92Å; L455-F460 HydrophobicContact CB-CZ 3.97Å; L455-F460 HydrophobicContact CD1-CZ 4.43Å; L455-V490 HydrophobicContact CD1-CB 4.16Å; L455-V490 HydrophobicContact CD1-CG1 4.29Å; L455-V490 HydrophobicContact CD1-CG2 3.67Å | ||
| 456 | K | 87.5 | Confident | 84.3 | Confident | 68 Ų | 68 | 62.1 Ų | 62.1 | 30% | 0.296 | 36% | 0.363 | S | S | . | . | trans | -95.6 | 174.4 | -173.7 | -51.6 | -57.5 | -175 | -174.8 | 0 | 112.2 | W392 H454 D458 F459 F460 D521 E640 | W392-K456 HydrophobicContact CE3-CD 4.06Å; W392-K456 HydrophobicContact CZ3-CD 3.76Å; H454-K456 WeakPolarHBondContact O-CD 3.44Å; H454-K456 WeakPolarHBondContact O-CE 3.33Å; H454-K456 PolarHBondContact O-N 3.01Å; K456-D458 VanDerWaalsContact C-N 3.32Å; K456-D458 PolarHBondContact O-N 2.83Å; K456-F459 WeakPolarHBondContact O-CB 3.5Å; K456-F459 PolarHBondContact O-N 2.81Å; K456-F460 WeakPolarHBondContact O-CD2 3.47Å; K456-D521 IonicContact NZ-OD2 3.09Å; K456-E640 IonicContact NZ-OE1 3.49Å; K456-E640 PolarHBondContact NZ-OE1 3.33Å; K456-E640 IonicContact NZ-OE2 3.32Å | ||
| 457 | R | 88.6 | Confident | 84.7 | Confident | 118 Ų | 118 | 56 Ų | 56 | 45% | 0.445 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -47 | -48.7 | -177.4 | -172.6 | -174.4 | 66.9 | -167.3 | -3.9 | 114.1 | W392 F459 F460 L461 | W392-R457 HydrophobicContact CD2-CB 4.36Å; W392-R457 HydrophobicContact CG-CB 3.99Å; R457-F459 PolarHBondContact O-N 2.75Å; R457-F460 PolarHBondContact O-N 2.99Å; R457-F460 VanDerWaalsContact O-N 3.16Å; R457-L461 HydrophobicContact CG-CD1 4.03Å; R457-L461 HydrophobicContact CG-CG 4.39Å; R457-L461 PolarHBondContact O-N 3.44Å |
| 458 | D | 88.7 | Confident | 85.3 | Confident | 96 Ų | 96 | 60.5 Ų | 60.5 | 51% | 0.513 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.8 | -26.9 | -169.8 | -62.5 | -12.1 | 0 | 0 | 0 | 112.4 | K456 L461 T462 | K456-D458 VanDerWaalsContact C-N 3.32Å; K456-D458 PolarHBondContact O-N 2.83Å; D458-L461 PolarHBondContact O-N 3.14Å; D458-T462 WeakPolarHBondContact O-CG2 3.32Å; D458-T462 PolarHBondContact O-N 2.82Å; D458-T462 PolarHBondContact O-OG1 2.82Å |
| 459 | F | 91.1 | Very high | 85.8 | Confident | 22 Ų | 22 | 57 Ų | 57 | 10% | 0.096 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -52.7 | 171.4 | 169.5 | -97.8 | 0 | 0 | 0 | 111.1 | Y441 P444 L455 K456 R457 L461 T462 H463 | Y441-F459 HydrophobicContact CD1-CE1 4.19Å; Y441-F459 HydrophobicContact CG-CE1 4.09Å; Y441-F459 HydrophobicContact CG-CZ 4.5Å; P444-F459 HydrophobicContact CG-CD2 3.77Å; P444-F459 HydrophobicContact CG-CE2 3.4Å; P444-F459 VanDerWaalsContact CG-CE2 3.4Å; P444-F459 HydrophobicContact CG-CZ 4.44Å; L455-F459 HydrophobicContact CB-CD1 4.02Å; L455-F459 HydrophobicContact CB-CG 4.39Å; L455-F459 HydrophobicContact CD1-CD1 3.83Å; L455-F459 HydrophobicContact CD1-CE1 3.62Å; L455-F459 HydrophobicContact CD1-CG 4.45Å; L455-F459 HydrophobicContact CD1-CZ 4.07Å; L455-F459 HydrophobicContact CD2-CG 4.38Å; L455-F459 HydrophobicContact CG-CD1 4.36Å; K456-F459 WeakPolarHBondContact O-CB 3.5Å; K456-F459 PolarHBondContact O-N 2.81Å; R457-F459 PolarHBondContact O-N 2.75Å; F459-L461 PolarHBondContact O-N 2.77Å; F459-T462 PolarHBondContact O-N 2.98Å; F459-T462 VanDerWaalsContact O-N 3.09Å; F459-T462 PolarHBondContact O-OG1 3.48Å; F459-H463 HydrophobicContact CD2-CB 4.41Å; F459-H463 AromaticContact CD2-CE1 3.62Å; F459-H463 AromaticContact CD2-CG 3.75Å; F459-H463 AromaticContact CD2-ND1 3.38Å; F459-H463 WeakPolarHBondContact CD2-ND1 3.22Å; F459-H463 HydrophobicContact CE1-CB 4.45Å; F459-H463 HydrophobicContact CE2-CB 3.95Å; F459-H463 AromaticContact CE2-CD2 3.56Å; F459-H463 AromaticContact CE2-CE1 3.78Å; F459-H463 AromaticContact CE2-CG 3.4Å; F459-H463 AromaticContact CE2-ND1 3.55Å; F459-H463 AromaticContact CE2-NE2 3.81Å; F459-H463 HydrophobicContact CZ-CB 3.99Å; F459-H463 AromaticContact CZ-CG 3.96Å; F459-H463 WeakPolarHBondContact O-CB 3Å; F459-H463 PolarHBondContact O-N 2.87Å; F459-H463 PolarHBondContact O-ND1 2.79Å |
| 460 | F | 92.6 | Very high | 86.2 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 2% | 0.022 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.2 | -22 | -177.2 | -63.1 | -72.2 | 0 | 0 | 0 | 113.4 | R385 F391 W392 Y441 L455 K456 R457 V492 | R385-F460 VanDerWaalsContact CZ-O 3.25Å; R385-F460 PolarHBondContact NE-O 3.43Å; R385-F460 PolarHBondContact NH2-O 3.2Å; F391-F460 HydrophobicContact CD1-CB 4.2Å; F391-F460 HydrophobicContact CD1-CD1 4.01Å; F391-F460 HydrophobicContact CD1-CD2 4.36Å; F391-F460 HydrophobicContact CD1-CE1 4.47Å; F391-F460 AromaticContact CD1-CG 3.93Å; F391-F460 HydrophobicContact CD1-CG 3.93Å; F391-F460 AromaticContact CE1-CD1 3.59Å; F391-F460 HydrophobicContact CE1-CD1 3.59Å; F391-F460 AromaticContact CE1-CE1 3.86Å; F391-F460 HydrophobicContact CE1-CE1 3.86Å; F391-F460 HydrophobicContact CE1-CG 4.02Å; F391-F460 HydrophobicContact CE1-CZ 4.49Å; W392-F460 HydrophobicContact CB-CD2 3.52Å; W392-F460 HydrophobicContact CB-CE2 3.62Å; Y441-F460 HydrophobicContact CD1-CD1 4.33Å; Y441-F460 HydrophobicContact CD2-CD1 4.07Å; Y441-F460 AromaticContact CD2-CE1 3.76Å; Y441-F460 HydrophobicContact CD2-CE1 3.76Å; Y441-F460 HydrophobicContact CE1-CD1 4.1Å; Y441-F460 AromaticContact CE2-CD1 3.83Å; Y441-F460 HydrophobicContact CE2-CD1 3.83Å; Y441-F460 AromaticContact CE2-CE1 3.86Å; Y441-F460 HydrophobicContact CE2-CE1 3.86Å; Y441-F460 HydrophobicContact CG-CD1 4.31Å; Y441-F460 HydrophobicContact CG-CE1 4.18Å; Y441-F460 AromaticContact CZ-CD1 3.86Å; L455-F460 HydrophobicContact CB-CE2 3.92Å; L455-F460 HydrophobicContact CB-CZ 3.97Å; L455-F460 HydrophobicContact CD1-CZ 4.43Å; K456-F460 WeakPolarHBondContact O-CD2 3.47Å; R457-F460 PolarHBondContact O-N 2.99Å; R457-F460 VanDerWaalsContact O-N 3.16Å; F460-V492 HydrophobicContact CE1-CG2 3.87Å; F460-V492 HydrophobicContact CZ-CG2 3.94Å |
| 461 | L | 90.9 | Very high | 86.6 | Confident | 88 Ų | 88 | 66.8 Ų | 66.8 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73.3 | -31.9 | 172.8 | -72.1 | 177.6 | 0 | 0 | 0 | 112.6 | P388 R457 D458 F459 | P388-L461 HydrophobicContact CB-CD2 3.67Å; P388-L461 HydrophobicContact CG-CD2 4.45Å; R457-L461 HydrophobicContact CG-CD1 4.03Å; R457-L461 HydrophobicContact CG-CG 4.39Å; R457-L461 PolarHBondContact O-N 3.44Å; D458-L461 PolarHBondContact O-N 3.14Å; F459-L461 PolarHBondContact O-N 2.77Å |
| 462 | T | 90.3 | Very high | 87.6 | Confident | 107 Ų | 107 | 67 Ų | 67 | 66% | 0.656 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -98.4 | -22.2 | -174.1 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | D458 F459 | D458-T462 WeakPolarHBondContact O-CG2 3.32Å; D458-T462 PolarHBondContact O-N 2.82Å; D458-T462 PolarHBondContact O-OG1 2.82Å; F459-T462 PolarHBondContact O-N 2.98Å; F459-T462 VanDerWaalsContact O-N 3.09Å; F459-T462 PolarHBondContact O-OG1 3.48Å |
| 463 | H | 91.4 | Very high | 88.6 | Confident | 84 Ų | 84 | 68 Ų | 68 | 39% | 0.389 | 35% | 0.349 | S | S | . | . | trans | -108.2 | 136.4 | -176.1 | -64.6 | 71 | 0 | 0 | 0 | 112.3 | Y441 F459 | Y441-H463 HydrophobicContact CD1-CB 4.46Å; F459-H463 HydrophobicContact CD2-CB 4.41Å; F459-H463 AromaticContact CD2-CE1 3.62Å; F459-H463 AromaticContact CD2-CG 3.75Å; F459-H463 AromaticContact CD2-ND1 3.38Å; F459-H463 WeakPolarHBondContact CD2-ND1 3.22Å; F459-H463 HydrophobicContact CE1-CB 4.45Å; F459-H463 HydrophobicContact CE2-CB 3.95Å; F459-H463 AromaticContact CE2-CD2 3.56Å; F459-H463 AromaticContact CE2-CE1 3.78Å; F459-H463 AromaticContact CE2-CG 3.4Å; F459-H463 AromaticContact CE2-ND1 3.55Å; F459-H463 AromaticContact CE2-NE2 3.81Å; F459-H463 HydrophobicContact CZ-CB 3.99Å; F459-H463 AromaticContact CZ-CG 3.96Å; F459-H463 WeakPolarHBondContact O-CB 3Å; F459-H463 PolarHBondContact O-N 2.87Å; F459-H463 PolarHBondContact O-ND1 2.79Å | ||
| 464 | A | 91.8 | Very high | 89.3 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 74% | 0.744 | 36% | 0.361 | S | S | * | . | trans | -82.9 | 151.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y441 | Y441-A464 WeakPolarHBondContact CD1-O 3.32Š| ||
| 465 | S | 92.9 | Very high | 89.5 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | trans | -70.4 | 129.9 | 174.9 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | L440 | L440-S465 CarbonylContact O-C 3.55Å; L440-S465 VanDerWaalsContact O-CA 3.26Å; L440-S465 WeakPolarHBondContact O-CA 3.49Å; L440-S465 WeakPolarHBondContact O-CB 3.41Å | ||
| 466 | S | 91.6 | Very high | 89.7 | Confident | 50 Ų | 50 | 71.8 Ų | 71.8 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -71.5 | -35.9 | 174.7 | -49 | 0 | 0 | 0 | 0 | 111.8 | L440 E442 | L440-S466 PolarHBondContact O-N 3.34Å; E442-S466 PolarHBondContact N-OG 2.85Å |
| 467 | A | 91.4 | Very high | 89.9 | Confident | 17 Ų | 17 | 68.6 Ų | 68.6 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 167.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110 | L440 L482 L484 | L440-A467 HydrophobicContact CB-CB 4.12Å; L440-A467 HydrophobicContact CD1-CB 4.43Å; L440-A467 PolarHBondContact N-O 3.04Å; L440-A467 PolarHBondContact O-N 2.95Å; A467-L482 HydrophobicContact CB-CD1 3.87Å; A467-L482 HydrophobicContact CB-CD2 3.99Å; A467-L482 HydrophobicContact CB-CG 4.44Å; A467-L484 HydrophobicContact CB-CD1 4.33Å; A467-L484 HydrophobicContact CB-CD2 4.22Å |
| 468 | R | 92.3 | Very high | 90 | Very high | 165 Ų | 165 | 63.4 Ų | 63.4 | 62% | 0.623 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 163.1 | 177 | 58.3 | -177.8 | -176.4 | -174.2 | 1.9 | 110.1 | F438 A439 | F438-R468 WeakPolarHBondContact O-CA 3.48Å; A439-R468 HydrophobicContact CB-CB 4.44Å |
| 469 | S | 89.4 | Confident | 90.1 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | trans | -57.7 | 139.3 | 163.6 | 57.9 | 0 | 0 | 0 | 0 | 109.4 | G437 F438 Q471 | G437-S469 WeakPolarHBondContact CA-OG 3.48Å; F438-S469 PolarHBondContact N-OG 2.84Å; F438-S469 VanDerWaalsContact N-OG 3.12Å; F438-S469 PolarHBondContact O-N 3.09Å; F438-S469 PolarHBondContact O-OG 3.33Å; S469-Q471 VanDerWaalsContact C-N 3.26Å; S469-Q471 PolarHBondContact O-N 2.8Å | ||
| 470 | E | 82.5 | Confident | 89.9 | Confident | 174 Ų | 174 | 59.3 Ų | 59.3 | 81% | 0.813 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -57.1 | -42.8 | -175.6 | -65.6 | -173 | 170.1 | 0 | 0 | 112 | ||
| 471 | Q | 84.3 | Confident | 89.6 | Confident | 140 Ų | 140 | 63.7 Ų | 63.7 | 65% | 0.654 | 33% | 0.333 | S | S | * | . | trans | -140.7 | 153.8 | 177.4 | -62.2 | -176.5 | -4.8 | 0 | 0 | 110.3 | S469 | S469-Q471 VanDerWaalsContact C-N 3.26Å; S469-Q471 PolarHBondContact O-N 2.8Å | ||
| 472 | F | 89.8 | Confident | 89.5 | Confident | 61 Ų | 61 | 60.5 Ų | 60.5 | 27% | 0.268 | 32% | 0.316 | S | S | . | . | trans | -85.8 | 116.9 | 164 | -91.3 | -108.4 | 0 | 0 | 0 | 107.2 | C384 T435 I436 S494 F496 | C384-F472 HydrophobicContact CB-CD1 4.47Å; C384-F472 HydrophobicContact CB-CE1 3.73Å; C384-F472 HydrophobicContact CB-CE2 4.33Å; C384-F472 HydrophobicContact CB-CZ 3.65Å; T435-F472 VanDerWaalsContact CG2-C 3.42Å; T435-F472 HydrophobicContact CG2-CB 3.76Å; T435-F472 WeakPolarHBondContact CG2-O 3.37Å; I436-F472 VanDerWaalsContact C-CD1 3.48Å; I436-F472 WeakPolarHBondContact O-CA 3.41Å; F472-S494 WeakPolarHBondContact CE1-O 3.36Å; F472-F496 HydrophobicContact CB-CD2 3.88Å; F472-F496 HydrophobicContact CD1-CB 3.89Å; F472-F496 HydrophobicContact CD1-CD2 4.01Å; F472-F496 HydrophobicContact CD1-CG 4.48Å; F472-F496 AromaticContact CG-CD2 3.96Å; F472-F496 HydrophobicContact CG-CD2 3.96Å | ||
| 473 | I | 87.8 | Confident | 89.4 | Confident | 42 Ų | 42 | 62.1 Ų | 62.1 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -131.7 | 149 | -173 | -166.6 | 171.9 | 0 | 0 | 0 | 110.5 | I436 L475 V478 | I436-I473 PolarHBondContact N-O 3.34Å; I436-I473 VanDerWaalsContact N-O 3.08Å; I436-I473 PolarHBondContact O-N 2.88Å; I473-L475 HydrophobicContact CD1-CD1 3.77Å; I473-L475 HydrophobicContact CD1-CG 3.86Å; I473-L475 HydrophobicContact CG1-CD1 4.35Å; I473-L475 HydrophobicContact CG1-CG 3.95Å; I473-L475 HydrophobicContact CG2-CB 4.23Å; I473-L475 HydrophobicContact CG2-CD1 4.18Å; I473-L475 HydrophobicContact CG2-CG 4.1Å; I473-L475 PolarHBondContact O-N 3.44Å; I473-L475 VanDerWaalsContact O-N 3.14Å; I473-V478 HydrophobicContact CG2-CG2 3.39Å |
| 474 | N | 88.9 | Confident | 89.4 | Confident | 90 Ų | 90 | 58.7 Ų | 58.7 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | trans | -85.5 | 49.4 | 178.7 | 63.5 | -36.3 | 0 | 0 | 0 | 111.9 | M433 | M433-N474 WeakPolarHBondContact CB-O 3.32Š| ||
| 475 | L | 87.9 | Confident | 89.4 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -101.2 | 163.8 | 171.5 | -66.5 | -179.3 | 0 | 0 | 0 | 110.6 | M224 Q420 I473 E477 | M224-L475 HydrophobicContact CE-CD1 3.68Å; M224-L475 HydrophobicContact SD-CD1 3.83Å; Q420-L475 PolarHBondContact NE2-O 3.06Å; I473-L475 HydrophobicContact CD1-CD1 3.77Å; I473-L475 HydrophobicContact CD1-CG 3.86Å; I473-L475 HydrophobicContact CG1-CD1 4.35Å; I473-L475 HydrophobicContact CG1-CG 3.95Å; I473-L475 HydrophobicContact CG2-CB 4.23Å; I473-L475 HydrophobicContact CG2-CD1 4.18Å; I473-L475 HydrophobicContact CG2-CG 4.1Å; I473-L475 PolarHBondContact O-N 3.44Å; I473-L475 VanDerWaalsContact O-N 3.14Å; L475-E477 VanDerWaalsContact C-N 3.32Å |
| 476 | R | 91.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -61.9 | -42.6 | 175 | -167.7 | -179.1 | 75.6 | 162.6 | 12.8 | 111.8 | E212 E215 D216 M419 Q420 M433 | E212-R476 HydrophobicContact CG-CB 3.87Å; E212-R476 PolarHBondContact O-NH2 2.76Å; E215-R476 VanDerWaalsContact CB-NH2 3.32Å; E215-R476 IonicContact OE2-CZ 2.67Å; E215-R476 IonicContact OE2-NE 2.62Å; E215-R476 IonicContact OE2-NH2 3.46Å; E215-R476 PolarHBondContact OE2-NH2 3.17Å; D216-R476 IonicContact OD1-CZ 3.02Å; D216-R476 VanDerWaalsContact OD1-CZ 3.22Å; D216-R476 IonicContact OD1-NH1 3.59Å; D216-R476 PolarHBondContact OD1-NH1 3.44Å; D216-R476 IonicContact OD1-NH2 2.76Å; D216-R476 PolarHBondContact OD1-NH2 2.76Å; D216-R476 IonicContact OD2-CZ 2.73Å; D216-R476 IonicContact OD2-NH1 3Å; D216-R476 PolarHBondContact OD2-NH1 2.82Å; M419-R476 CarbonylContact C-O 3.6Å; M419-R476 VanDerWaalsContact CA-O 3.29Å; M419-R476 WeakPolarHBondContact CA-O 3.17Å; M419-R476 HydrophobicContact CG-CG 4.17Å; Q420-R476 WeakPolarHBondContact CG-O 3.09Å; Q420-R476 PolarHBondContact N-O 3.08Å; M433-R476 HydrophobicContact CE-CB 3.81Å; M433-R476 HydrophobicContact CE-CG 4.02Å; M433-R476 HydrophobicContact SD-CB 4.19Å; M433-R476 HydrophobicContact SD-CG 4.44Å |
| 477 | E | 91.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.8 | 175.8 | 176.4 | 163.3 | 112.2 | 0 | 0 | 111 | A417 L418 M419 L475 R507 | A417-E477 HydrophobicContact CB-CG 4.34Å; L418-E477 CarbonylContact O-C 3.52Å; L418-E477 VanDerWaalsContact O-CA 3.28Å; L418-E477 WeakPolarHBondContact O-CA 3.02Å; M419-E477 HydrophobicContact CB-CB 4.18Å; M419-E477 HydrophobicContact CB-CG 4.41Å; M419-E477 HydrophobicContact CE-CB 4.2Å; M419-E477 WeakPolarHBondContact CE-OE2 2.97Å; M419-E477 HydrophobicContact CG-CB 4.25Å; L475-E477 VanDerWaalsContact C-N 3.32Å; E477-R507 IonicContact OE1-NH2 2.71Å; E477-R507 PolarHBondContact OE1-NH2 3.4Å; E477-R507 VanDerWaalsContact OE1-NH2 3.09Å; E477-R507 IonicContact OE2-CZ 2.71Å; E477-R507 IonicContact OE2-NE 3.31Å; E477-R507 PolarHBondContact OE2-NE 3.06Å; E477-R507 IonicContact OE2-NH2 3.11Å; E477-R507 PolarHBondContact OE2-NH2 3.21Å |
| 478 | V | 91.2 | Very high | 89.2 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.4 | 168.2 | 179.7 | 0 | 0 | 0 | 0 | 108 | L418 I436 F438 I473 | L418-V478 PolarHBondContact N-O 3.11Å; L418-V478 PolarHBondContact O-N 2.8Å; I436-V478 HydrophobicContact CD1-CG2 4.24Å; I436-V478 HydrophobicContact CG1-CG2 3.72Å; F438-V478 HydrophobicContact CE1-CG1 4.43Å; I473-V478 HydrophobicContact CG2-CG2 3.39Å |
| 479 | S | 90.6 | Very high | 89.2 | Confident | 20 Ų | 20 | 50 Ų | 50 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 148 | 178.6 | 66.9 | 0 | 0 | 0 | 0 | 111.1 | T222 V416 | T222-S479 WeakPolarHBondContact O-CB 3.43Å; T222-S479 PolarHBondContact O-OG 3.25Å; V416-S479 CarbonylContact O-C 3.28Å; V416-S479 WeakPolarHBondContact O-CA 3.29Å |
| 480 | S | 88.3 | Confident | 89.4 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 129.3 | 174.3 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | V416 | V416-S480 PolarHBondContact N-O 2.91Å; V416-S480 VanDerWaalsContact N-O 3.14Å; V416-S480 PolarHBondContact O-N 2.76Å |
| 481 | R | 86.2 | Confident | 90 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 37% | 0.366 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 121.7 | 173.9 | 179.7 | 176.9 | -71.5 | -90.3 | -2.6 | 108.9 | E223 L415 | E223-R481 VanDerWaalsContact CD-NH2 3.33Å; E223-R481 IonicContact OE1-CZ 3.6Å; E223-R481 IonicContact OE1-NE 3.47Å; E223-R481 IonicContact OE1-NH2 3.49Å; E223-R481 PolarHBondContact OE1-NH2 2.9Å; E223-R481 IonicContact OE2-CZ 3.73Å; E223-R481 IonicContact OE2-NE 3.59Å; E223-R481 PolarHBondContact OE2-NE 2.65Å; E223-R481 IonicContact OE2-NH2 3.44Å; E223-R481 PolarHBondContact OE2-NH2 3.04Å; L415-R481 HydrophobicContact CD1-CB 4.03Å |
| 482 | L | 87.5 | Confident | 90.6 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 11% | 0.11 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 152.4 | -173.7 | -59.8 | 178.4 | 0 | 0 | 0 | 110.8 | F414 V416 F438 L440 A467 | F414-L482 HydrophobicContact CD1-CB 4.49Å; F414-L482 HydrophobicContact CE1-CB 3.92Å; F414-L482 HydrophobicContact CE2-CB 4.01Å; F414-L482 HydrophobicContact CE2-CD1 3.94Å; F414-L482 HydrophobicContact CZ-CB 3.65Å; F414-L482 HydrophobicContact CZ-CD1 3.98Å; F414-L482 HydrophobicContact CZ-CG 4.47Å; F414-L482 PolarHBondContact N-O 3.38Å; F414-L482 PolarHBondContact O-N 3.46Å; F414-L482 VanDerWaalsContact O-O 3.08Å; V416-L482 HydrophobicContact CG2-CD1 4.29Å; F438-L482 HydrophobicContact CE2-CD1 4.24Å; L440-L482 HydrophobicContact CD1-CD1 3.66Å; L440-L482 HydrophobicContact CD2-CD1 3.87Å; L440-L482 HydrophobicContact CG-CD1 4.42Å; A467-L482 HydrophobicContact CB-CD1 3.87Å; A467-L482 HydrophobicContact CB-CD2 3.99Å; A467-L482 HydrophobicContact CB-CG 4.44Å |
| 483 | K | 88.1 | Confident | 90.9 | Very high | 140 Ų | 140 | 32 Ų | 32 | 61% | 0.609 | 17% | 0.168 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 119.8 | 171.6 | -64.9 | -171.3 | 179.8 | -172.2 | 0 | 108 | S413 | S413-K483 WeakPolarHBondContact OG-CE 3.37Å |
| 484 | L | 91.4 | Very high | 91.4 | Very high | 13 Ų | 13 | 30 Ų | 30 | 7% | 0.068 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 152.1 | 177.9 | -67.6 | 177.8 | 0 | 0 | 0 | 109.4 | L401 D411 C412 F414 L440 A467 Y489 | L401-L484 HydrophobicContact CD1-CB 3.99Å; D411-L484 WeakPolarHBondContact CA-O 3.37Å; C412-L484 PolarHBondContact N-O 2.89Å; C412-L484 PolarHBondContact O-N 2.89Å; F414-L484 HydrophobicContact CE1-CB 4.05Å; F414-L484 HydrophobicContact CE1-CD1 4Å; F414-L484 HydrophobicContact CE1-CG 4.01Å; F414-L484 HydrophobicContact CZ-CD1 3.73Å; F414-L484 HydrophobicContact CZ-CG 4.17Å; L440-L484 HydrophobicContact CD2-CD1 3.95Å; A467-L484 HydrophobicContact CB-CD1 4.33Å; A467-L484 HydrophobicContact CB-CD2 4.22Å; L484-Y489 HydrophobicContact CB-CE1 4.43Å; L484-Y489 HydrophobicContact CB-CE2 3.97Å; L484-Y489 HydrophobicContact CD1-CD1 3.78Å; L484-Y489 HydrophobicContact CD1-CD2 4.13Å; L484-Y489 HydrophobicContact CD1-CE1 3.83Å; L484-Y489 HydrophobicContact CD1-CE2 4.16Å; L484-Y489 HydrophobicContact CD1-CG 3.95Å |
| 485 | P | 91.5 | Very high | 91.7 | Very high | 59 Ų | 59 | 25.8 Ų | 25.8 | 38% | 0.383 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 167.2 | 174.9 | 25.8 | -30.6 | 0 | 0 | 0 | 111.8 | S410 G487 Y489 | S410-P485 WeakPolarHBondContact O-CA 3.47Å; P485-G487 PolarHBondContact O-N 2.8Å; P485-Y489 WeakPolarHBondContact CD-OH 3.37Å; P485-Y489 WeakPolarHBondContact CG-OH 3.37Å; P485-Y489 WeakPolarHBondContact O-CE2 3.43Å; P485-Y489 PolarHBondContact O-OH 2.87Å; P485-Y489 VanDerWaalsContact O-OH 3.12Å |
| 486 | V | 89.9 | Confident | 92.1 | Very high | 76 Ų | 76 | 27.9 Ų | 27.9 | 46% | 0.461 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -55.7 | 125.6 | 172.9 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | L401 P404 S410 | L401-V486 WeakPolarHBondContact O-CA 3.49Å; L401-V486 VanDerWaalsContact O-CG1 3.23Å; L401-V486 WeakPolarHBondContact O-CG1 3.49Å; P404-V486 HydrophobicContact CG-CG2 3.75Å; S410-V486 PolarHBondContact O-N 3.09Å |
| 487 | G | 89.9 | Confident | 92.3 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 21% | 0.206 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.9 | 177 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L401 P485 | L401-G487 PolarHBondContact N-O 3.14Å; L401-G487 PolarHBondContact O-N 2.95Å; P485-G487 PolarHBondContact O-N 2.8Å |
| 488 | E | 92.1 | Very high | 92.4 | Very high | 26 Ų | 26 | 32.9 Ų | 32.9 | 12% | 0.121 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 131.4 | 172.7 | -65.8 | -173.5 | -162 | 0 | 0 | 109.6 | K398 I399 I400 V443 G449 | K398-E488 HydrophobicContact CD-CB 4.49Å; K398-E488 WeakPolarHBondContact CD-OE2 3.46Å; K398-E488 IonicContact NZ-OE2 2.63Å; I399-E488 WeakPolarHBondContact O-CA 3.48Å; I400-E488 HydrophobicContact CG1-CG 4.22Å; I400-E488 HydrophobicContact CG2-CG 4.17Å; V443-E488 HydrophobicContact CB-CB 3.91Å; V443-E488 HydrophobicContact CG2-CB 3.8Å; V443-E488 WeakPolarHBondContact CG2-O 3.35Å; V443-E488 PolarHBondContact N-O 2.86Å; G449-E488 PolarHBondContact N-OE1 2.9Å; G449-E488 PolarHBondContact N-OE2 2.63Å; G449-E488 VanDerWaalsContact N-OE2 3.15Å |
| 489 | Y | 92.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.3 | -179.2 | -57.8 | -88.8 | 0 | 0 | 0 | 111.4 | K398 I399 L401 Y441 E442 L484 P485 | K398-Y489 CarbonylContact C-O 3.41Å; K398-Y489 VanDerWaalsContact CA-O 3.26Å; K398-Y489 WeakPolarHBondContact CA-O 3.35Å; I399-Y489 PolarHBondContact N-O 2.98Å; I399-Y489 PolarHBondContact O-N 3.17Å; L401-Y489 HydrophobicContact CD1-CD2 3.89Å; L401-Y489 HydrophobicContact CD1-CE2 3.79Å; L401-Y489 HydrophobicContact CG-CD2 4.31Å; L401-Y489 HydrophobicContact CG-CE2 4.44Å; Y441-Y489 CarbonylContact O-C 3.57Å; Y441-Y489 WeakPolarHBondContact O-CA 3.03Å; E442-Y489 HydrophobicContact CB-CD1 4.04Å; E442-Y489 HydrophobicContact CB-CE1 3.88Å; E442-Y489 HydrophobicContact CG-CD1 4.43Å; E442-Y489 HydrophobicContact CG-CE1 4.02Å; L484-Y489 HydrophobicContact CB-CE1 4.43Å; L484-Y489 HydrophobicContact CB-CE2 3.97Å; L484-Y489 HydrophobicContact CD1-CD1 3.78Å; L484-Y489 HydrophobicContact CD1-CD2 4.13Å; L484-Y489 HydrophobicContact CD1-CE1 3.83Å; L484-Y489 HydrophobicContact CD1-CE2 4.16Å; L484-Y489 HydrophobicContact CD1-CG 3.95Å; P485-Y489 WeakPolarHBondContact CD-OH 3.37Å; P485-Y489 WeakPolarHBondContact CG-OH 3.37Å; P485-Y489 WeakPolarHBondContact O-CE2 3.43Å; P485-Y489 PolarHBondContact O-OH 2.87Å; P485-Y489 VanDerWaalsContact O-OH 3.12Å |
| 490 | V | 94.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.4 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | Q396 F397 L440 Y441 V443 L455 V492 L519 | Q396-V490 HydrophobicContact CB-CG1 3.8Å; Q396-V490 HydrophobicContact CG-CG1 4.36Å; F397-V490 CarbonylContact O-C 3.25Å; F397-V490 WeakPolarHBondContact O-CA 3.28Å; L440-V490 CarbonylContact C-O 3.58Å; L440-V490 VanDerWaalsContact CA-O 3.25Å; L440-V490 WeakPolarHBondContact CA-O 3.44Å; Y441-V490 PolarHBondContact N-O 3.32Å; Y441-V490 PolarHBondContact O-N 2.95Å; V443-V490 HydrophobicContact CG2-CG2 3.58Å; L455-V490 HydrophobicContact CD1-CB 4.16Å; L455-V490 HydrophobicContact CD1-CG1 4.29Å; L455-V490 HydrophobicContact CD1-CG2 3.67Å; V490-V492 HydrophobicContact CG1-CG2 4.11Å; V490-L519 HydrophobicContact CB-CD1 4.23Å; V490-L519 HydrophobicContact CG1-CD1 3.9Å; V490-L519 HydrophobicContact CG2-CD1 3.4Å |
| 491 | I | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 125.9 | 170.6 | -51.5 | 169.6 | 0 | 0 | 0 | 108.2 | F397 I399 V416 F438 A439 L440 P493 L506 V508 | F397-I491 HydrophobicContact CB-CB 4.45Å; F397-I491 PolarHBondContact N-O 3Å; F397-I491 PolarHBondContact O-N 2.79Å; I399-I491 HydrophobicContact CD1-CD1 4.26Å; I399-I491 HydrophobicContact CD1-CG1 4.39Å; I399-I491 HydrophobicContact CG1-CD1 4.47Å; I399-I491 HydrophobicContact CG1-CG1 4.47Å; I399-I491 HydrophobicContact CG2-CD1 3.61Å; I399-I491 HydrophobicContact CG2-CG1 4.34Å; V416-I491 HydrophobicContact CG1-CD1 4.17Å; V416-I491 HydrophobicContact CG1-CG2 4.29Å; V416-I491 HydrophobicContact CG2-CD1 3.98Å; F438-I491 HydrophobicContact CB-CG2 4.17Å; F438-I491 HydrophobicContact CD2-CG2 4.29Å; F438-I491 HydrophobicContact CG-CG2 4.45Å; A439-I491 WeakPolarHBondContact O-CA 3.42Å; L440-I491 HydrophobicContact CD1-CG1 4.47Å; L440-I491 HydrophobicContact CD2-CG1 4.13Å; L440-I491 HydrophobicContact CG-CG1 3.94Å; I491-P493 WeakPolarHBondContact O-CD 3.37Å; I491-L506 HydrophobicContact CB-CD2 4.19Å; I491-L506 HydrophobicContact CD1-CD2 4.18Å; I491-L506 HydrophobicContact CG2-CD1 4.22Å; I491-L506 HydrophobicContact CG2-CD2 3.94Å; I491-V508 HydrophobicContact CD1-CG2 3.74Å |
| 492 | V | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 95.7 | 174.8 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | F391 N394 Q396 F438 A439 Y441 F460 V490 | F391-V492 HydrophobicContact CE1-CB 4.44Å; F391-V492 HydrophobicContact CE1-CG1 4.16Å; F391-V492 HydrophobicContact CE2-CB 4.43Å; F391-V492 HydrophobicContact CE2-CG1 3.85Å; F391-V492 HydrophobicContact CZ-CB 3.83Å; F391-V492 HydrophobicContact CZ-CG1 3.61Å; F391-V492 HydrophobicContact CZ-CG2 4.4Å; N394-V492 HydrophobicContact CB-CG1 3.74Å; Q396-V492 HydrophobicContact CG-CG2 4.33Å; F438-V492 WeakPolarHBondContact CA-O 3.34Å; A439-V492 PolarHBondContact N-O 3.03Å; A439-V492 PolarHBondContact O-N 3.08Å; Y441-V492 HydrophobicContact CD2-CG2 4.42Å; F460-V492 HydrophobicContact CE1-CG2 3.87Å; F460-V492 HydrophobicContact CZ-CG2 3.94Å; V490-V492 HydrophobicContact CG1-CG2 4.11Å |
| 493 | P | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 136.2 | 173.1 | 31.5 | -35.6 | 0 | 0 | 0 | 111.6 | W375 P395 F397 L418 F438 I491 F504 | W375-P493 HydrophobicContact CZ2-CB 4.16Å; W375-P493 PolarHBondContact NE1-O 2.92Å; W375-P493 VanDerWaalsContact NE1-O 3.12Å; P395-P493 WeakPolarHBondContact O-CD 3.45Å; F397-P493 HydrophobicContact CD2-CG 3.94Å; F397-P493 HydrophobicContact CE2-CG 3.63Å; L418-P493 HydrophobicContact CD1-CB 3.55Å; L418-P493 HydrophobicContact CD2-CB 3.64Å; L418-P493 HydrophobicContact CG-CB 4.21Å; F438-P493 HydrophobicContact CB-CB 4.47Å; I491-P493 WeakPolarHBondContact O-CD 3.37Å; P493-F504 HydrophobicContact CB-CE2 4.17Å; P493-F504 HydrophobicContact CB-CZ 4.38Å; P493-F504 HydrophobicContact CG-CD2 4.46Å; P493-F504 HydrophobicContact CG-CE2 3.6Å; P493-F504 HydrophobicContact CG-CZ 3.65Å |
| 494 | S | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 157 | -177.3 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | G383 G437 F472 | G383-S494 WeakPolarHBondContact O-CB 3.29Å; G437-S494 PolarHBondContact N-O 3.18Å; G437-S494 PolarHBondContact O-N 3.49Å; F472-S494 WeakPolarHBondContact CE1-O 3.36Å |
| 495 | T | 96.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 160.3 | 158.4 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | W375 G383 C384 E434 T435 I436 E497 K500 | W375-T495 HydrophobicContact CD2-CG2 4.2Å; W375-T495 HydrophobicContact CE3-CG2 3.93Å; W375-T495 HydrophobicContact CZ3-CG2 4.15Å; G383-T495 CarbonylContact C-O 3.08Å; G383-T495 VanDerWaalsContact CA-O 3.31Å; G383-T495 WeakPolarHBondContact CA-O 3.45Å; C384-T495 PolarHBondContact N-O 3.26Å; E434-T495 HydrophobicContact CB-CG2 4.13Å; E434-T495 HydrophobicContact CG-CG2 4.41Å; T435-T495 CarbonylContact O-C 3.57Å; T435-T495 WeakPolarHBondContact O-CA 3.37Å; I436-T495 HydrophobicContact CG2-CG2 4.08Å; T495-E497 PolarHBondContact OG1-O 3.16Å; T495-K500 HydrophobicContact CG2-CB 3.92Å |
| 496 | F | 95.3 | Very high | 93.6 | Very high | 73 Ų | 73 | 27.2 Ų | 27.2 | 32% | 0.32 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -63.7 | -54.3 | 177.5 | -173.8 | -96.3 | 0 | 0 | 0 | 111.3 | C384 Y387 T435 F472 | C384-F496 PolarHBondContact N-O 3.22Å; C384-F496 PolarHBondContact SG-O 3.27Å; Y387-F496 VanDerWaalsContact CE2-O 3.28Å; Y387-F496 WeakPolarHBondContact CE2-O 3.43Å; T435-F496 HydrophobicContact CG2-CB 3.9Å; T435-F496 PolarHBondContact O-N 3.27Å; F472-F496 HydrophobicContact CB-CD2 3.88Å; F472-F496 HydrophobicContact CD1-CB 3.89Å; F472-F496 HydrophobicContact CD1-CD2 4.01Å; F472-F496 HydrophobicContact CD1-CG 4.48Å; F472-F496 AromaticContact CG-CD2 3.96Å; F472-F496 HydrophobicContact CG-CD2 3.96Å |
| 497 | E | 95.3 | Very high | 93.7 | Very high | 91 Ų | 91 | 23.7 Ų | 23.7 | 43% | 0.425 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -88.5 | 148 | 175.3 | -61.2 | -173.8 | 153.2 | 0 | 0 | 111 | T495 K500 | T495-E497 PolarHBondContact OG1-O 3.16Å; E497-K500 HydrophobicContact CB-CG 4.37Å; E497-K500 WeakPolarHBondContact OE2-CE 3.28Å; E497-K500 IonicContact OE2-NZ 2.8Å; E497-K500 PolarHBondContact OE2-NZ 3.21Å |
| 498 | P | 93.3 | Very high | 93.6 | Very high | 28 Ų | 28 | 23 Ų | 23 | 18% | 0.182 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 169.7 | 171.2 | 31.1 | -35.5 | 0 | 0 | 0 | 111.8 | Y387 K500 | Y387-P498 HydrophobicContact CD1-CG 4.06Å; Y387-P498 HydrophobicContact CE1-CG 4.28Å; Y387-P498 HydrophobicContact CG-CG 4.24Å; P498-K500 PolarHBondContact O-N 2.8Å |
| 499 | N | 90.6 | Very high | 93.3 | Very high | 65 Ų | 65 | 21.9 Ų | 21.9 | 35% | 0.348 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 19.9 | 174.5 | -60.7 | -48.3 | 0 | 0 | 0 | 115.6 | R377 A381 | R377-N499 HydrophobicContact CG-CB 3.88Å; A381-N499 PolarHBondContact O-N 3.4Å |
| 500 | K | 91.9 | Very high | 92.9 | Very high | 60 Ų | 60 | 22.1 Ų | 22.1 | 26% | 0.261 | 11% | 0.112 | S | C | . | . | trans | -91 | 122.8 | 172.1 | -58.9 | -63.5 | -179.4 | 169.4 | 0 | 110 | W375 A381 E434 T495 E497 P498 | W375-K500 WeakPolarHBondContact CB-O 3.37Å; A381-K500 WeakPolarHBondContact CB-O 3.38Å; E434-K500 HydrophobicContact CG-CB 4.36Å; T495-K500 HydrophobicContact CG2-CB 3.92Å; E497-K500 HydrophobicContact CB-CG 4.37Å; E497-K500 WeakPolarHBondContact OE2-CE 3.28Å; E497-K500 IonicContact OE2-NZ 2.8Å; E497-K500 PolarHBondContact OE2-NZ 3.21Å; P498-K500 PolarHBondContact O-N 2.8Å | ||
| 501 | D | 90.8 | Very high | 92 | Very high | 78 Ų | 78 | 24.9 Ų | 24.9 | 42% | 0.417 | 13% | 0.125 | S | C | . | . | trans | -80.9 | 132.4 | 175 | -63.5 | -47.3 | 0 | 0 | 0 | 111 | W375 R376 R377 R423 | W375-D501 WeakPolarHBondContact O-CA 3.27Å; R376-D501 WeakPolarHBondContact CA-OD1 3.45Å; R377-D501 WeakPolarHBondContact CB-OD1 3.1Å; R377-D501 PolarHBondContact N-OD1 3.03Å; R423-D501 PolarHBondContact NH1-O 3.2Å | ||
| 502 | G | 91.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 154.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | W375 R376 | W375-G502 PolarHBondContact N-O 2.88Å; W375-G502 PolarHBondContact O-N 3.28Å; R376-G502 PolarHBondContact NH1-O 2.98Å |
| 503 | D | 93.1 | Very high | 90.2 | Very high | 44 Ų | 44 | 32.7 Ų | 32.7 | 24% | 0.235 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 148.9 | 168.8 | -57.8 | -31.8 | 0 | 0 | 0 | 107.8 | E374 R376 Q420 K421 | E374-D503 WeakPolarHBondContact CG-OD1 3.41Å; R376-D503 IonicContact CZ-OD1 3.46Å; R376-D503 IonicContact NH1-OD1 2.67Å; R376-D503 PolarHBondContact NH1-OD1 3.46Å; R376-D503 IonicContact NH2-OD1 3.26Å; R376-D503 PolarHBondContact NH2-OD1 2.74Å; R376-D503 IonicContact NH2-OD2 2.65Å; Q420-D503 CarbonylContact C-O 3.52Å; Q420-D503 WeakPolarHBondContact CA-O 3.5Å; K421-D503 HydrophobicContact CB-CB 4.04Å; K421-D503 HydrophobicContact CD-CB 3.92Å; K421-D503 HydrophobicContact CG-CB 4.04Å; K421-D503 PolarHBondContact N-O 3.33Å |
| 504 | F | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 165.5 | -180 | 68.5 | -93.3 | 0 | 0 | 0 | 112.8 | G373 W375 P395 F397 L418 M419 K421 P493 L506 | G373-F504 VanDerWaalsContact C-CE1 3.41Å; G373-F504 PolarHBondContact N-O 3.37Å; G373-F504 WeakPolarHBondContact O-CD1 3.38Å; G373-F504 PolarHBondContact O-N 3.08Å; W375-F504 AromaticContact CD2-CD1 3.57Å; W375-F504 HydrophobicContact CD2-CD1 3.57Å; W375-F504 AromaticContact CD2-CE1 3.9Å; W375-F504 HydrophobicContact CD2-CE1 3.9Å; W375-F504 AromaticContact CE2-CD1 3.42Å; W375-F504 VanDerWaalsContact CE2-CD1 3.42Å; W375-F504 AromaticContact CE2-CE1 3.52Å; W375-F504 HydrophobicContact CE3-CB 4.44Å; W375-F504 AromaticContact CE3-CD1 3.75Å; W375-F504 HydrophobicContact CE3-CD1 3.75Å; W375-F504 HydrophobicContact CE3-CG 4.5Å; W375-F504 HydrophobicContact CG-CD1 4.28Å; W375-F504 HydrophobicContact CG-CE1 4.24Å; W375-F504 HydrophobicContact CH2-CB 3.65Å; W375-F504 AromaticContact CH2-CD1 3.67Å; W375-F504 HydrophobicContact CH2-CD1 3.67Å; W375-F504 HydrophobicContact CH2-CE1 4.48Å; W375-F504 AromaticContact CH2-CG 3.77Å; W375-F504 HydrophobicContact CH2-CG 3.77Å; W375-F504 HydrophobicContact CZ2-CB 4.27Å; W375-F504 AromaticContact CZ2-CD1 3.48Å; W375-F504 HydrophobicContact CZ2-CD1 3.48Å; W375-F504 VanDerWaalsContact CZ2-CD1 3.48Å; W375-F504 AromaticContact CZ2-CE1 3.86Å; W375-F504 HydrophobicContact CZ2-CE1 3.86Å; W375-F504 AromaticContact CZ2-CG 3.87Å; W375-F504 HydrophobicContact CZ2-CG 3.87Å; W375-F504 HydrophobicContact CZ3-CB 3.75Å; W375-F504 AromaticContact CZ3-CD1 3.79Å; W375-F504 HydrophobicContact CZ3-CD1 3.79Å; W375-F504 HydrophobicContact CZ3-CG 4.11Å; W375-F504 AromaticContact NE1-CE1 3.61Å; P395-F504 HydrophobicContact CB-CZ 4.09Å; P395-F504 HydrophobicContact CG-CE1 4.08Å; P395-F504 HydrophobicContact CG-CZ 3.94Å; F397-F504 AromaticContact CE2-CE2 3.81Å; F397-F504 HydrophobicContact CE2-CE2 3.81Å; F397-F504 AromaticContact CE2-CZ 3.93Å; F397-F504 HydrophobicContact CE2-CZ 3.93Å; F397-F504 AromaticContact CZ-CE2 4Å; F397-F504 HydrophobicContact CZ-CE2 4Å; F397-F504 HydrophobicContact CZ-CZ 4.13Å; L418-F504 HydrophobicContact CD1-CB 3.98Å; L418-F504 HydrophobicContact CD1-CD2 3.5Å; L418-F504 VanDerWaalsContact CD1-CD2 3.5Å; L418-F504 HydrophobicContact CD1-CE2 4.21Å; L418-F504 HydrophobicContact CD1-CG 3.93Å; M419-F504 CarbonylContact O-C 3.58Å; M419-F504 WeakPolarHBondContact O-CA 3.26Å; M419-F504 VanDerWaalsContact O-CB 3.24Å; M419-F504 WeakPolarHBondContact O-CB 3.42Å; K421-F504 WeakPolarHBondContact CE-O 3.27Å; P493-F504 HydrophobicContact CB-CE2 4.17Å; P493-F504 HydrophobicContact CB-CZ 4.38Å; P493-F504 HydrophobicContact CG-CD2 4.46Å; P493-F504 HydrophobicContact CG-CE2 3.6Å; P493-F504 HydrophobicContact CG-CZ 3.65Å; F504-L506 HydrophobicContact CD2-CB 4.48Å; F504-L506 HydrophobicContact CE2-CB 4.35Å |
| 505 | V | 93.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.2 | 166.8 | -170.2 | 0 | 0 | 0 | 0 | 107.6 | F156 L370 F371 M419 K421 R507 | F156-V505 HydrophobicContact CB-CG2 3.71Å; F156-V505 VanDerWaalsContact O-CG2 3.27Å; F156-V505 WeakPolarHBondContact O-CG2 3.4Å; L370-V505 HydrophobicContact CD1-CG1 3.87Å; L370-V505 HydrophobicContact CD2-CG1 3.88Å; L370-V505 HydrophobicContact CG-CG1 3.59Å; F371-V505 CarbonylContact O-C 3.51Å; F371-V505 VanDerWaalsContact O-CA 3.32Å; F371-V505 WeakPolarHBondContact O-CA 3.42Å; M419-V505 PolarHBondContact N-O 2.95Å; M419-V505 PolarHBondContact O-N 2.98Å; K421-V505 HydrophobicContact CD-CG2 4.34Å; K421-V505 HydrophobicContact CG-CG2 4.35Å; V505-R507 HydrophobicContact CG1-CG 3.77Å |
| 506 | L | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124 | 168 | -177.7 | 69.5 | 0 | 0 | 0 | 108.5 | F371 F397 V416 L418 I491 F504 | F371-L506 HydrophobicContact CB-CB 4.34Å; F371-L506 PolarHBondContact N-O 3.31Å; F371-L506 PolarHBondContact O-N 3.17Å; F397-L506 HydrophobicContact CB-CD2 3.8Å; F397-L506 HydrophobicContact CD1-CD2 4.41Å; F397-L506 HydrophobicContact CD2-CD2 3.4Å; F397-L506 VanDerWaalsContact CD2-CD2 3.4Å; F397-L506 HydrophobicContact CE2-CD2 4.08Å; F397-L506 HydrophobicContact CG-CD2 3.6Å; V416-L506 HydrophobicContact CG1-CD1 3.6Å; L418-L506 HydrophobicContact CB-CD1 4.29Å; L418-L506 HydrophobicContact CD1-CD1 4.37Å; I491-L506 HydrophobicContact CB-CD2 4.19Å; I491-L506 HydrophobicContact CD1-CD2 4.18Å; I491-L506 HydrophobicContact CG2-CD1 4.22Å; I491-L506 HydrophobicContact CG2-CD2 3.94Å; F504-L506 HydrophobicContact CD2-CB 4.48Å; F504-L506 HydrophobicContact CE2-CB 4.35Å |
| 507 | R | 91.6 | Very high | 87.2 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.4 | 177.6 | -56.1 | -176.9 | -69 | 161.7 | 2.9 | 109.4 | G219 G220 S369 L370 A417 E477 V505 F509 | G219-R507 PolarHBondContact O-NH1 3.16Å; G220-R507 PolarHBondContact O-NH1 2.99Å; G220-R507 PolarHBondContact O-NH2 3.41Å; S369-R507 CarbonylContact O-C 3.53Å; S369-R507 VanDerWaalsContact O-CA 3.3Å; S369-R507 WeakPolarHBondContact O-CA 2.97Å; L370-R507 HydrophobicContact CD1-CG 4.19Å; L370-R507 HydrophobicContact CG-CG 4.28Å; A417-R507 HydrophobicContact CB-CB 4.29Å; A417-R507 PolarHBondContact N-O 2.91Å; A417-R507 PolarHBondContact O-N 3.13Å; E477-R507 IonicContact OE1-NH2 2.71Å; E477-R507 PolarHBondContact OE1-NH2 3.4Å; E477-R507 VanDerWaalsContact OE1-NH2 3.09Å; E477-R507 IonicContact OE2-CZ 2.71Å; E477-R507 IonicContact OE2-NE 3.31Å; E477-R507 PolarHBondContact OE2-NE 3.06Å; E477-R507 IonicContact OE2-NH2 3.11Å; E477-R507 PolarHBondContact OE2-NH2 3.21Å; V505-R507 HydrophobicContact CG1-CG 3.77Å; R507-F509 HydrophobicContact CB-CD2 4.46Å; R507-F509 HydrophobicContact CB-CE2 3.58Å; R507-F509 HydrophobicContact CB-CZ 3.98Å |
| 508 | V | 89.7 | Confident | 86.5 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.7 | 176.5 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | T368 S369 I399 F414 L415 I491 | T368-V508 WeakPolarHBondContact CA-O 3.24Å; S369-V508 PolarHBondContact N-O 3.11Å; S369-V508 PolarHBondContact O-N 3Å; I399-V508 HydrophobicContact CG2-CG1 4.23Å; I399-V508 HydrophobicContact CG2-CG2 4.15Å; F414-V508 HydrophobicContact CD2-CG1 4.31Å; L415-V508 CarbonylContact O-C 3.59Å; L415-V508 WeakPolarHBondContact O-CA 3.41Å; I491-V508 HydrophobicContact CD1-CG2 3.74Å |
| 509 | F | 85.6 | Confident | 85.8 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.7 | 176.8 | -54.9 | -95.6 | 0 | 0 | 0 | 109.1 | V221 T354 W366 N367 T368 F414 L415 A417 R507 | V221-F509 HydrophobicContact CB-CD2 4.01Å; V221-F509 HydrophobicContact CB-CE1 4.35Å; V221-F509 HydrophobicContact CB-CE2 3.48Å; V221-F509 VanDerWaalsContact CB-CE2 3.48Å; V221-F509 HydrophobicContact CB-CZ 3.68Å; V221-F509 HydrophobicContact CG1-CD1 4.32Å; V221-F509 HydrophobicContact CG1-CD2 3.98Å; V221-F509 HydrophobicContact CG1-CE1 4.27Å; V221-F509 HydrophobicContact CG1-CE2 3.91Å; V221-F509 HydrophobicContact CG1-CG 4.19Å; V221-F509 HydrophobicContact CG1-CZ 4.07Å; V221-F509 HydrophobicContact CG2-CD2 3.94Å; V221-F509 HydrophobicContact CG2-CE2 3.54Å; V221-F509 HydrophobicContact CG2-CZ 4.25Å; T354-F509 HydrophobicContact CG2-CE1 3.7Å; T354-F509 HydrophobicContact CG2-CZ 4.43Å; W366-F509 HydrophobicContact CD2-CB 4.34Å; W366-F509 HydrophobicContact CE3-CB 3.77Å; W366-F509 HydrophobicContact CZ3-CB 4.37Å; N367-F509 CarbonylContact O-C 3.48Å; N367-F509 VanDerWaalsContact O-CA 3.29Å; N367-F509 WeakPolarHBondContact O-CA 3.18Å; T368-F509 HydrophobicContact CG2-CD1 3.9Å; T368-F509 HydrophobicContact CG2-CE1 3.48Å; T368-F509 VanDerWaalsContact CG2-CE1 3.48Å; T368-F509 HydrophobicContact CG2-CZ 4.05Å; T368-F509 VanDerWaalsContact OG1-CD1 3.29Å; T368-F509 WeakPolarHBondContact OG1-CD1 3.36Å; T368-F509 WeakPolarHBondContact OG1-CE1 3.3Å; F414-F509 CarbonylContact C-O 3.56Å; F414-F509 WeakPolarHBondContact CA-O 3.37Å; F414-F509 WeakPolarHBondContact CB-O 3.42Å; L415-F509 HydrophobicContact CB-CB 4.22Å; L415-F509 HydrophobicContact CD2-CD2 4.25Å; L415-F509 PolarHBondContact N-O 2.93Å; L415-F509 PolarHBondContact O-N 3.35Å; A417-F509 HydrophobicContact CB-CE2 4.41Å; R507-F509 HydrophobicContact CB-CD2 4.46Å; R507-F509 HydrophobicContact CB-CE2 3.58Å; R507-F509 HydrophobicContact CB-CZ 3.98Å |
| 510 | S | 83.1 | Confident | 85.2 | Confident | 7 Ų | 7 | 32 Ų | 32 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.2 | 179.2 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | W366 N367 K512 A514 | W366-S510 VanDerWaalsContact CE3-C 3.45Å; N367-S510 PolarHBondContact N-O 2.88Å; N367-S510 PolarHBondContact O-N 3.13Å; S510-K512 VanDerWaalsContact C-N 3.27Å; S510-K512 VanDerWaalsContact CB-O 3.24Å; S510-K512 WeakPolarHBondContact CB-O 3.08Å; S510-K512 PolarHBondContact O-N 3.2Å; S510-K512 PolarHBondContact OG-O 3.47Å; S510-A514 WeakPolarHBondContact OG-CB 3.29Å |
| 511 | E | 75.4 | Confident | 84.6 | Confident | 60 Ų | 60 | 29.8 Ų | 29.8 | 28% | 0.28 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -68.8 | -30.3 | -179.9 | -70.9 | -162 | -175.8 | 0 | 0 | 112.4 | W366 S413 | W366-E511 HydrophobicContact CE3-CG 4.29Å; W366-E511 HydrophobicContact CH2-CG 3.52Å; W366-E511 HydrophobicContact CZ2-CG 4.23Å; W366-E511 HydrophobicContact CZ3-CB 4.44Å; W366-E511 HydrophobicContact CZ3-CG 3.58Å; S413-E511 PolarHBondContact O-N 2.79Å |
| 512 | K | 77.2 | Confident | 84.1 | Confident | 80 Ų | 80 | 32.2 Ų | 32.2 | 35% | 0.348 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -113 | 156.6 | 172.5 | -62.6 | -63.2 | -174.6 | 173.2 | 0 | 109.6 | H403 S510 A514 | H403-K512 HydrophobicContact CB-CB 3.89Å; H403-K512 HydrophobicContact CB-CG 4.1Å; S510-K512 VanDerWaalsContact C-N 3.27Å; S510-K512 VanDerWaalsContact CB-O 3.24Å; S510-K512 WeakPolarHBondContact CB-O 3.08Å; S510-K512 PolarHBondContact O-N 3.2Å; S510-K512 PolarHBondContact OG-O 3.47Å; K512-A514 PolarHBondContact O-N 3.28Å |
| 513 | P | 78.2 | Confident | 83.9 | Confident | 83 Ų | 83 | 35.3 Ų | 35.3 | 54% | 0.539 | 19% | 0.191 | S | C | . | . | trans | -54.1 | 118.4 | 173.7 | -25.2 | 34.8 | 0 | 0 | 0 | 110.7 | N367 | N367-P513 WeakPolarHBondContact ND2-CA 3.5Š| ||
| 514 | A | 78.9 | Confident | 83.5 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 12% | 0.116 | 20% | 0.196 | C | C | . | . | trans | -112.1 | 139.8 | 171 | 0 | 0 | 0 | 0 | 0 | 108.4 | N367 I400 L401 S510 K512 | N367-A514 PolarHBondContact ND2-N 3.37Å; N367-A514 PolarHBondContact ND2-O 3.19Å; I400-A514 VanDerWaalsContact O-CA 3.31Å; I400-A514 WeakPolarHBondContact O-CA 3.29Å; I400-A514 WeakPolarHBondContact O-CB 3.32Å; L401-A514 HydrophobicContact CD2-CB 4.1Å; S510-A514 WeakPolarHBondContact OG-CB 3.29Å; K512-A514 PolarHBondContact O-N 3.28Å | ||
| 515 | G | 78.4 | Confident | 83.2 | Confident | 28 Ų | 28 | 37.2 Ų | 37.2 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 147.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | I399 I400 | I399-G515 CarbonylContact C-O 3.56Å; I399-G515 WeakPolarHBondContact CA-O 3.11Å; I400-G515 PolarHBondContact N-O 3.05Å; I400-G515 PolarHBondContact O-N 3Å; I400-G515 VanDerWaalsContact O-N 3.07Å |
| 516 | S | 80.4 | Confident | 82.7 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 142.1 | 176.4 | 63.6 | 0 | 0 | 0 | 0 | 109.8 | S369 F371 K398 | S369-S516 WeakPolarHBondContact CB-OG 3.38Å; S369-S516 PolarHBondContact OG-OG 3.31Å; F371-S516 WeakPolarHBondContact CZ-OG 3.46Å; K398-S516 VanDerWaalsContact O-CA 3.29Å; K398-S516 WeakPolarHBondContact O-CA 3.1Å |
| 517 | E | 83.6 | Confident | 82 | Confident | 48 Ų | 48 | 44.5 Ų | 44.5 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 151 | 178.6 | 60 | 174.2 | -139.9 | 0 | 0 | 110.5 | F397 K398 L519 | F397-E517 CarbonylContact C-O 3.43Å; F397-E517 WeakPolarHBondContact CA-O 3.38Å; K398-E517 HydrophobicContact CB-CG 3.63Å; K398-E517 HydrophobicContact CD-CG 4.44Å; K398-E517 WeakPolarHBondContact CE-OE1 3.48Å; K398-E517 PolarHBondContact N-O 2.94Å; K398-E517 IonicContact NZ-OE1 3.26Å; K398-E517 PolarHBondContact NZ-OE1 2.79Å; K398-E517 IonicContact NZ-OE2 3.42Å; K398-E517 PolarHBondContact NZ-OE2 3.36Å; K398-E517 PolarHBondContact O-N 3.26Å; E517-L519 WeakPolarHBondContact OE1-CD2 3.41Å |
| 518 | E | 81.7 | Confident | 81.2 | Confident | 87 Ų | 87 | 47.7 Ų | 47.7 | 41% | 0.407 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 126.8 | 165.9 | -174 | 172.2 | -174 | 0 | 0 | 109 | F397 D520 | F397-E518 HydrophobicContact CD1-CB 4.04Å; F397-E518 HydrophobicContact CD1-CG 3.97Å; F397-E518 HydrophobicContact CE1-CB 4.11Å; F397-E518 HydrophobicContact CE1-CG 3.7Å; E518-D520 HydrophobicContact CG-CB 4.45Å; E518-D520 PolarHBondContact O-N 2.9Å |
| 519 | L | 77.8 | Confident | 80.1 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 98 | 173.3 | -75.7 | 176.7 | 0 | 0 | 0 | 108.8 | Q396 K398 V490 E517 | Q396-L519 HydrophobicContact CB-CB 3.88Å; Q396-L519 WeakPolarHBondContact O-CA 3.26Å; Q396-L519 PolarHBondContact O-N 2.92Å; K398-L519 HydrophobicContact CB-CD1 3.75Å; K398-L519 HydrophobicContact CB-CD2 4.1Å; K398-L519 HydrophobicContact CB-CG 3.7Å; K398-L519 HydrophobicContact CD-CD1 4.46Å; K398-L519 HydrophobicContact CD-CD2 4.26Å; K398-L519 HydrophobicContact CG-CD1 4.34Å; V490-L519 HydrophobicContact CB-CD1 4.23Å; V490-L519 HydrophobicContact CG1-CD1 3.9Å; V490-L519 HydrophobicContact CG2-CD1 3.4Å; E517-L519 WeakPolarHBondContact OE1-CD2 3.41Å |
| 520 | D | 78.5 | Confident | 79.3 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | trans | -138.7 | 156.4 | 174.1 | -150.9 | -12.4 | 0 | 0 | 0 | 110.6 | G452 E518 K522 R636 N647 N648 | G452-D520 CarbonylContact C-O 3.26Å; G452-D520 VanDerWaalsContact C-O 3.28Å; G452-D520 WeakPolarHBondContact CA-O 3.47Å; E518-D520 HydrophobicContact CG-CB 4.45Å; E518-D520 PolarHBondContact O-N 2.9Å; D520-K522 PolarHBondContact O-N 2.86Å; D520-R636 IonicContact OD1-NH2 2.66Å; D520-N647 HydrophobicContact CB-CB 4.42Å; D520-N647 WeakPolarHBondContact OD1-CA 3.34Å; D520-N647 WeakPolarHBondContact OD2-CB 3.3Å; D520-N648 VanDerWaalsContact CG-N 3.27Å; D520-N648 PolarHBondContact OD1-N 3.35Å; D520-N648 VanDerWaalsContact OD1-N 3.08Å; D520-N648 PolarHBondContact OD1-ND2 3.02Å; D520-N648 VanDerWaalsContact OD2-CB 3.24Å; D520-N648 WeakPolarHBondContact OD2-CB 3.42Å; D520-N648 VanDerWaalsContact OD2-CG 3.3Å; D520-N648 PolarHBondContact OD2-N 2.68Å; D520-N648 PolarHBondContact OD2-ND2 2.76Å | ||
| 521 | D | 78.7 | Confident | 78.4 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 8% | 0.075 | 35% | 0.349 | C | S | . | . | trans | -68.3 | 132.6 | -179.6 | -64.4 | -54.9 | 0 | 0 | 0 | 109.8 | H454 K456 R636 K645 N647 | H454-D521 WeakPolarHBondContact CB-OD2 3.18Å; K456-D521 IonicContact NZ-OD2 3.09Å; D521-R636 IonicContact OD2-NH2 2.69Å; D521-R636 PolarHBondContact OD2-NH2 2.84Å; D521-K645 HydrophobicContact CB-CB 4.5Å; D521-N647 PolarHBondContact O-N 3.34Å | ||
| 522 | K | 81.4 | Confident | 77.9 | Confident | 129 Ų | 129 | 68.5 Ų | 68.5 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | trans | -63.4 | 139 | 171.9 | -67.7 | -173.9 | -177.6 | -179.4 | 0 | 109.7 | S451 D520 V524 K645 | S451-K522 PolarHBondContact OG-NZ 2.98Å; D520-K522 PolarHBondContact O-N 2.86Å; K522-V524 HydrophobicContact CB-CG2 4.15Å; K522-V524 PolarHBondContact O-N 3.15Å; K522-K645 VanDerWaalsContact O-O 3.14Å | ||
| 523 | V | 86.1 | Confident | 77.4 | Confident | 68 Ų | 68 | 66.7 Ų | 66.7 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | trans | -70.4 | 102.8 | 178.5 | -176 | 0 | 0 | 0 | 0 | 109.3 | K645 L646 N647 L650 F681 | V523-K645 CarbonylContact C-O 3.58Å; V523-K645 VanDerWaalsContact CA-O 3.31Å; V523-K645 WeakPolarHBondContact CA-O 3.36Å; V523-L646 HydrophobicContact CG1-CD2 4.2Å; V523-N647 HydrophobicContact CG2-CB 4.29Å; V523-L650 HydrophobicContact CB-CD1 4.48Å; V523-L650 HydrophobicContact CG1-CD1 3.87Å; V523-L650 HydrophobicContact CG2-CD1 3.69Å; V523-F681 HydrophobicContact CG1-CE1 3.98Å; V523-F681 HydrophobicContact CG1-CZ 3.58Å | ||
| 524 | V | 85.1 | Confident | 76.9 | Confident | 53 Ų | 53 | 68 Ų | 68 | 32% | 0.321 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 137.6 | -175.7 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | K522 N526 K645 | K522-V524 HydrophobicContact CB-CG2 4.15Å; K522-V524 PolarHBondContact O-N 3.15Å; V524-N526 WeakPolarHBondContact CG1-OD1 3.42Å; V524-K645 PolarHBondContact N-O 3.04Å; V524-K645 PolarHBondContact O-N 2.94Å |
| 525 | A | 87.1 | Confident | 76.5 | Confident | 31 Ų | 31 | 72.9 Ų | 72.9 | 26% | 0.256 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 101.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L527 G643 F644 F681 | A525-L527 HydrophobicContact CB-CG 4.45Å; A525-L527 PolarHBondContact O-N 3.35Å; A525-G643 CarbonylContact C-O 3.2Å; A525-G643 WeakPolarHBondContact CA-O 3.34Å; A525-F644 HydrophobicContact CB-CD1 3.69Å; A525-F644 HydrophobicContact CB-CE1 3.74Å; A525-F681 HydrophobicContact CB-CB 4.13Å; A525-F681 HydrophobicContact CB-CD1 3.57Å; A525-F681 HydrophobicContact CB-CD2 3.81Å; A525-F681 HydrophobicContact CB-CE1 3.79Å; A525-F681 HydrophobicContact CB-CE2 4.03Å; A525-F681 HydrophobicContact CB-CG 3.57Å; A525-F681 HydrophobicContact CB-CZ 4.01Å |
| 526 | N | 84 | Confident | 76.1 | Confident | 110 Ų | 110 | 76.3 Ų | 76.3 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | trans | -95.1 | 67.8 | 174.1 | -66.4 | -38.1 | 0 | 0 | 0 | 109.7 | V524 G643 | V524-N526 WeakPolarHBondContact CG1-OD1 3.42Å; N526-G643 PolarHBondContact N-O 3.2Å | ||
| 527 | L | 79.7 | Confident | 75.7 | Confident | 43 Ų | 43 | 80 Ų | 80 | 23% | 0.225 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 143.4 | 179 | -65.8 | 170.2 | 0 | 0 | 0 | 110.8 | A525 A642 F644 E678 | A525-L527 HydrophobicContact CB-CG 4.45Å; A525-L527 PolarHBondContact O-N 3.35Å; L527-A642 WeakPolarHBondContact CD2-O 3.33Å; L527-F644 HydrophobicContact CD1-CE1 4Å; L527-F644 HydrophobicContact CD1-CZ 3.84Å; L527-F644 HydrophobicContact CD2-CE1 4.19Å; L527-F644 HydrophobicContact CD2-CE2 3.81Å; L527-F644 HydrophobicContact CD2-CZ 3.63Å; L527-F644 HydrophobicContact CG-CE1 4.25Å; L527-F644 HydrophobicContact CG-CZ 4.11Å; L527-E678 HydrophobicContact CD1-CB 4.19Å; L527-E678 HydrophobicContact CD1-CG 3.55Å |
| 528 | P | 74.8 | Confident | 75.4 | Confident | 70 Ų | 70 | 78 Ų | 78 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 141.5 | 172.9 | 22.6 | -29.4 | 0 | 0 | 0 | 110.1 | E530 | P528-E530 PolarHBondContact O-N 3.48Š|
| 529 | P | 67.4 | Low | 75.3 | Confident | 117 Ų | 117 | 79.2 Ų | 79.2 | 76% | 0.76 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 137.1 | -178 | 24.3 | -32.8 | 0 | 0 | 0 | 110.4 | T531 | P529-T531 PolarHBondContact O-N 3.4Š|
| 530 | E | 67.9 | Low | 75.4 | Confident | 90 Ų | 90 | 82.5 Ų | 82.5 | 42% | 0.421 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 116.8 | 177.9 | -65.1 | -166.6 | 142.4 | 0 | 0 | 110.3 | P528 K532 K611 K682 | P528-E530 PolarHBondContact O-N 3.48Å; E530-K532 PolarHBondContact O-N 3.47Å; E530-K611 WeakPolarHBondContact OE1-CE 3.45Å; E530-K611 IonicContact OE1-NZ 3.07Å; E530-K611 PolarHBondContact OE1-NZ 3.07Å; E530-K682 IonicContact OE1-NZ 2.8Å; E530-K682 PolarHBondContact OE1-NZ 2.76Å; E530-K682 IonicContact OE2-NZ 3.39Å; E530-K682 PolarHBondContact OE2-NZ 3.28Å |
| 531 | T | 63.8 | Low | 75.4 | Confident | 101 Ų | 101 | 83.6 Ų | 83.6 | 62% | 0.62 | 47% | 0.471 | S | S | * | . | trans | -70.8 | 109.6 | 171.6 | -13.3 | 0 | 0 | 0 | 0 | 108.1 | P529 L533 | P529-T531 PolarHBondContact O-N 3.4Å; T531-L533 VanDerWaalsContact C-N 3.34Å; T531-L533 HydrophobicContact CG2-CD2 4.48Å; T531-L533 PolarHBondContact O-N 2.84Å | ||
| 532 | K | 64.5 | Low | 75.4 | Confident | 204 Ų | 204 | 84 Ų | 84 | 89% | 0.887 | 47% | 0.472 | S | S | * | . | trans | -65.6 | 99.2 | 163.9 | -73 | -170.8 | 178.3 | -174.1 | 0 | 107.4 | E530 | E530-K532 PolarHBondContact O-N 3.47Š| ||
| 533 | L | 67.5 | Low | 75.4 | Confident | 43 Ų | 43 | 79.8 Ų | 79.8 | 23% | 0.225 | 45% | 0.454 | C | S | . | . | trans | -82.7 | 125.9 | 179.7 | -69 | 167 | 0 | 0 | 0 | 109.3 | T531 Q537 T603 H606 V607 | T531-L533 VanDerWaalsContact C-N 3.34Å; T531-L533 HydrophobicContact CG2-CD2 4.48Å; T531-L533 PolarHBondContact O-N 2.84Å; L533-Q537 HydrophobicContact CD2-CB 4.11Å; L533-T603 WeakPolarHBondContact O-CG2 3.39Å; L533-H606 WeakPolarHBondContact CD1-CD2 3.49Å; L533-V607 HydrophobicContact CD1-CG2 4.23Å | ||
| 534 | D | 67.8 | Low | 75.2 | Confident | 111 Ų | 111 | 79.4 Ų | 79.4 | 59% | 0.594 | 45% | 0.454 | S | S | * | . | trans | -71.4 | 147.9 | 162.5 | -87.6 | -34.5 | 0 | 0 | 0 | 109.1 | S536 Q537 | D534-S536 PolarHBondContact O-N 3.34Å; D534-Q537 HydrophobicContact CB-CG 4.46Å; D534-Q537 WeakPolarHBondContact O-CB 3.32Å; D534-Q537 PolarHBondContact O-N 3.27Å | ||
| 535 | E | 69.4 | Low | 74.9 | Confident | 116 Ų | 116 | 80.6 Ų | 80.6 | 54% | 0.542 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -52.4 | -31.8 | 177.6 | -72.4 | -165.2 | 163.6 | 0 | 0 | 112.2 | Q537 I538 K543 L602 T603 | E535-Q537 PolarHBondContact O-N 3.07Å; E535-I538 PolarHBondContact O-N 3.39Å; E535-K543 WeakPolarHBondContact O-CE 3.45Å; E535-K543 PolarHBondContact O-NZ 2.94Å; E535-L602 HydrophobicContact CG-CD2 4.31Å; E535-T603 HydrophobicContact CG-CG2 4.25Å |
| 536 | S | 70.8 | Confident | 74.7 | Confident | 100 Ų | 100 | 79.2 Ų | 79.2 | 70% | 0.699 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -61.3 | -21.4 | 178.9 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | D534 | D534-S536 PolarHBondContact O-N 3.34Š|
| 537 | Q | 73.3 | Confident | 74.6 | Confident | 117 Ų | 117 | 81.4 Ų | 81.4 | 55% | 0.547 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -90.7 | -9.9 | -177.9 | -60.5 | 176.6 | -22.2 | 0 | 0 | 112.7 | L533 D534 E535 | L533-Q537 HydrophobicContact CD2-CB 4.11Å; D534-Q537 HydrophobicContact CB-CG 4.46Å; D534-Q537 WeakPolarHBondContact O-CB 3.32Å; D534-Q537 PolarHBondContact O-N 3.27Å; E535-Q537 PolarHBondContact O-N 3.07Å |
| 538 | I | 76.8 | Confident | 74.6 | Confident | 7 Ų | 7 | 86.6 Ų | 86.6 | 4% | 0.036 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -87.2 | 128 | 179.4 | -58.3 | 175.9 | 0 | 0 | 0 | 109.6 | E535 F542 K543 L602 T603 H606 | E535-I538 PolarHBondContact O-N 3.39Å; I538-F542 HydrophobicContact CG2-CB 4.03Å; I538-F542 HydrophobicContact CG2-CD1 3.69Å; I538-F542 HydrophobicContact CG2-CG 4.24Å; I538-K543 HydrophobicContact CB-CG 4.44Å; I538-K543 HydrophobicContact CG2-CG 3.98Å; I538-K543 VanDerWaalsContact O-CE 3.3Å; I538-K543 WeakPolarHBondContact O-CE 3.36Å; I538-L602 HydrophobicContact CD1-CD2 4.28Å; I538-L602 HydrophobicContact CD1-CG 3.96Å; I538-T603 HydrophobicContact CD1-CG2 3.98Å; I538-H606 HydrophobicContact CD1-CB 4.09Å |
| 539 | D | 79.9 | Confident | 74.9 | Confident | 113 Ų | 113 | 85.2 Ų | 85.2 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | trans | -54.9 | 140 | 179.4 | -179.7 | 70 | 0 | 0 | 0 | 112.5 | G541 F542 K543 | D539-G541 PolarHBondContact O-N 2.97Å; D539-G541 VanDerWaalsContact OD2-CA 3.28Å; D539-G541 WeakPolarHBondContact OD2-CA 3.48Å; D539-G541 PolarHBondContact OD2-N 2.99Å; D539-F542 PolarHBondContact O-N 3.33Å; D539-K543 PolarHBondContact O-N 3.24Å; D539-K543 VanDerWaalsContact O-N 3.07Å | ||
| 540 | A | 78.5 | Confident | 75.4 | Confident | 75 Ų | 75 | 79.7 Ų | 79.7 | 62% | 0.62 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.4 | -31.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K543 S544 | A540-K543 PolarHBondContact O-N 3.45Å; A540-S544 PolarHBondContact O-N 2.79Å |
| 541 | G | 78.3 | Confident | 75.9 | Confident | 44 Ų | 44 | 77.2 Ų | 77.2 | 45% | 0.454 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D539 S544 L545 | D539-G541 PolarHBondContact O-N 2.97Å; D539-G541 VanDerWaalsContact OD2-CA 3.28Å; D539-G541 WeakPolarHBondContact OD2-CA 3.48Å; D539-G541 PolarHBondContact OD2-N 2.99Å; G541-S544 PolarHBondContact O-N 2.67Å; G541-L545 PolarHBondContact O-N 3.49Å |
| 542 | F | 79.7 | Confident | 76.5 | Confident | 22 Ų | 22 | 80.7 Ų | 80.7 | 10% | 0.096 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 175.8 | -167.6 | -93.2 | 0 | 0 | 0 | 111.9 | I538 D539 S544 L545 F546 L602 F605 H606 W609 | I538-F542 HydrophobicContact CG2-CB 4.03Å; I538-F542 HydrophobicContact CG2-CD1 3.69Å; I538-F542 HydrophobicContact CG2-CG 4.24Å; D539-F542 PolarHBondContact O-N 3.33Å; F542-S544 VanDerWaalsContact C-N 3.33Å; F542-S544 PolarHBondContact O-N 3.09Å; F542-L545 WeakPolarHBondContact O-CB 3.25Å; F542-L545 PolarHBondContact O-N 2.85Å; F542-F546 WeakPolarHBondContact O-CB 3.2Å; F542-F546 PolarHBondContact O-N 2.79Å; F542-L602 HydrophobicContact CD1-CD1 4.28Å; F542-L602 HydrophobicContact CE1-CD1 4.39Å; F542-F605 AromaticContact CE1-CD1 3.91Å; F542-F605 HydrophobicContact CE1-CD1 3.91Å; F542-F605 HydrophobicContact CE1-CE1 4.34Å; F542-F605 HydrophobicContact CE2-CE1 4.35Å; F542-F605 AromaticContact CZ-CD1 3.56Å; F542-F605 HydrophobicContact CZ-CD1 3.56Å; F542-F605 AromaticContact CZ-CE1 3.65Å; F542-F605 HydrophobicContact CZ-CE1 3.65Å; F542-H606 HydrophobicContact CD1-CB 4.23Å; F542-H606 AromaticContact CD1-ND1 3.32Å; F542-H606 VanDerWaalsContact CD1-ND1 3.32Å; F542-H606 WeakPolarHBondContact CD1-ND1 3.2Å; F542-H606 AromaticContact CD2-ND1 3.92Å; F542-H606 HydrophobicContact CE1-CB 3.57Å; F542-H606 AromaticContact CE1-CG 3.83Å; F542-H606 AromaticContact CE1-ND1 3.3Å; F542-H606 VanDerWaalsContact CE1-ND1 3.3Å; F542-H606 WeakPolarHBondContact CE1-ND1 3.08Å; F542-H606 AromaticContact CE2-ND1 3.91Å; F542-H606 AromaticContact CG-ND1 3.64Å; F542-H606 HydrophobicContact CZ-CB 4.09Å; F542-H606 AromaticContact CZ-ND1 3.6Å; F542-W609 HydrophobicContact CE2-CB 4.28Å; F542-W609 AromaticContact CE2-CD1 3.47Å; F542-W609 VanDerWaalsContact CE2-CD1 3.47Å; F542-W609 AromaticContact CE2-CG 3.93Å; F542-W609 HydrophobicContact CE2-CG 3.93Å; F542-W609 HydrophobicContact CZ-CB 4.13Å; F542-W609 HydrophobicContact CZ-CG 4.26Å |
| 543 | K | 81.3 | Confident | 77.3 | Confident | 40 Ų | 40 | 74.6 Ų | 74.6 | 17% | 0.174 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 174 | -65.5 | -173.2 | -179 | 179.7 | 0 | 112.5 | E535 I538 D539 A540 L545 F546 R547 L602 | E535-K543 WeakPolarHBondContact O-CE 3.45Å; E535-K543 PolarHBondContact O-NZ 2.94Å; I538-K543 HydrophobicContact CB-CG 4.44Å; I538-K543 HydrophobicContact CG2-CG 3.98Å; I538-K543 VanDerWaalsContact O-CE 3.3Å; I538-K543 WeakPolarHBondContact O-CE 3.36Å; D539-K543 PolarHBondContact O-N 3.24Å; D539-K543 VanDerWaalsContact O-N 3.07Å; A540-K543 PolarHBondContact O-N 3.45Å; K543-L545 VanDerWaalsContact C-N 3.35Å; K543-F546 PolarHBondContact O-N 3.27Å; K543-R547 WeakPolarHBondContact O-CG 3.13Å; K543-R547 PolarHBondContact O-N 2.86Å; K543-L602 HydrophobicContact CD-CD2 4.34Å; K543-L602 HydrophobicContact CG-CD1 4.38Å; K543-L602 HydrophobicContact CG-CD2 3.99Å |
| 544 | S | 80.8 | Confident | 78.1 | Confident | 60 Ų | 60 | 76.7 Ų | 76.7 | 42% | 0.42 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.5 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | A540 G541 F542 Q548 | A540-S544 PolarHBondContact O-N 2.79Å; G541-S544 PolarHBondContact O-N 2.67Å; F542-S544 VanDerWaalsContact C-N 3.33Å; F542-S544 PolarHBondContact O-N 3.09Å; S544-Q548 WeakPolarHBondContact O-CG 3.5Å; S544-Q548 PolarHBondContact O-N 2.93Å |
| 545 | L | 79.1 | Confident | 79 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 41% | 0.408 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 175.9 | -179.2 | 65.2 | 0 | 0 | 0 | 111.1 | G541 F542 K543 R547 Q548 L549 | G541-L545 PolarHBondContact O-N 3.49Å; F542-L545 WeakPolarHBondContact O-CB 3.25Å; F542-L545 PolarHBondContact O-N 2.85Å; K543-L545 VanDerWaalsContact C-N 3.35Å; L545-R547 PolarHBondContact O-N 2.79Å; L545-Q548 PolarHBondContact O-N 3.21Å; L545-Q548 VanDerWaalsContact O-N 3.17Å; L545-L549 HydrophobicContact CD1-CD1 3.99Å; L545-L549 HydrophobicContact CD1-CG 4.44Å; L545-L549 HydrophobicContact CG-CD1 3.89Å; L545-L549 VanDerWaalsContact O-CG 3.25Å; L545-L549 WeakPolarHBondContact O-CG 3.19Å; L545-L549 PolarHBondContact O-N 3.31Å |
| 546 | F | 82.9 | Confident | 79.8 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.009 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.3 | -47 | 177.5 | 179.7 | -94.5 | 0 | 0 | 0 | 111.9 | F542 K543 Q548 L549 A550 M554 I556 L602 F605 | F542-F546 WeakPolarHBondContact O-CB 3.2Å; F542-F546 PolarHBondContact O-N 2.79Å; K543-F546 PolarHBondContact O-N 3.27Å; F546-Q548 PolarHBondContact O-N 3.3Å; F546-L549 CarbonylContact O-C 3.49Å; F546-L549 WeakPolarHBondContact O-CA 3.39Å; F546-L549 PolarHBondContact O-N 3.05Å; F546-A550 HydrophobicContact CD1-CB 3.99Å; F546-A550 HydrophobicContact CD2-CB 4.4Å; F546-A550 HydrophobicContact CE1-CB 3.58Å; F546-A550 HydrophobicContact CE2-CB 4.05Å; F546-A550 HydrophobicContact CG-CB 4.38Å; F546-A550 HydrophobicContact CZ-CB 3.61Å; F546-A550 VanDerWaalsContact O-CB 3.31Å; F546-A550 WeakPolarHBondContact O-CB 3.4Å; F546-A550 PolarHBondContact O-N 3.45Å; F546-M554 HydrophobicContact CD1-CE 4.33Å; F546-M554 HydrophobicContact CE1-CE 4.19Å; F546-M554 VanDerWaalsContact CE1-O 3.31Å; F546-M554 WeakPolarHBondContact CE1-O 3.41Å; F546-M554 VanDerWaalsContact CZ-O 3.32Å; F546-M554 WeakPolarHBondContact CZ-O 3.49Å; F546-I556 HydrophobicContact CD2-CD1 3.62Å; F546-I556 HydrophobicContact CD2-CG1 4.25Å; F546-I556 HydrophobicContact CE2-CD1 3.43Å; F546-I556 VanDerWaalsContact CE2-CD1 3.43Å; F546-I556 HydrophobicContact CE2-CG1 3.66Å; F546-I556 HydrophobicContact CZ-CD1 4.48Å; F546-I556 HydrophobicContact CZ-CG1 4.28Å; F546-L602 HydrophobicContact CB-CD1 3.54Å; F546-L602 HydrophobicContact CD1-CB 4.03Å; F546-L602 HydrophobicContact CD1-CD1 3.65Å; F546-L602 HydrophobicContact CD1-CG 4.39Å; F546-L602 HydrophobicContact CD2-CD1 4Å; F546-L602 HydrophobicContact CE1-CB 3.85Å; F546-L602 HydrophobicContact CE1-CD1 4.35Å; F546-L602 HydrophobicContact CE2-CB 4.43Å; F546-L602 HydrophobicContact CG-CB 4.4Å; F546-L602 HydrophobicContact CG-CD1 3.44Å; F546-L602 VanDerWaalsContact CG-CD1 3.44Å; F546-L602 HydrophobicContact CZ-CB 4.07Å; F546-F605 HydrophobicContact CD2-CB 4.15Å; F546-F605 AromaticContact CD2-CD1 3.68Å; F546-F605 HydrophobicContact CD2-CD1 3.68Å; F546-F605 HydrophobicContact CD2-CE1 4.44Å; F546-F605 HydrophobicContact CD2-CG 4.15Å; F546-F605 HydrophobicContact CE2-CB 3.89Å; F546-F605 HydrophobicContact CE2-CD1 4.23Å; F546-F605 HydrophobicContact CE2-CG 4.24Å |
| 547 | R | 82.8 | Confident | 80.7 | Confident | 157 Ų | 157 | 65 Ų | 65 | 59% | 0.592 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.6 | -32.9 | 177 | -76 | 178.4 | -170.1 | 148.4 | 2.4 | 113.8 | K543 L545 M554 | K543-R547 WeakPolarHBondContact O-CG 3.13Å; K543-R547 PolarHBondContact O-N 2.86Å; L545-R547 PolarHBondContact O-N 2.79Å; R547-M554 HydrophobicContact CG-CE 3.79Å; R547-M554 HydrophobicContact CG-SD 3.91Å |
| 548 | Q | 80.3 | Confident | 81.3 | Confident | 151 Ų | 151 | 61.3 Ų | 61.3 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -72.7 | -21.6 | 175.5 | -74.5 | -178.3 | -14.3 | 0 | 0 | 112.8 | S544 L545 F546 | S544-Q548 WeakPolarHBondContact O-CG 3.5Å; S544-Q548 PolarHBondContact O-N 2.93Å; L545-Q548 PolarHBondContact O-N 3.21Å; L545-Q548 VanDerWaalsContact O-N 3.17Å; F546-Q548 PolarHBondContact O-N 3.3Å |
| 549 | L | 80 | Confident | 81.8 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 22% | 0.22 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -102.2 | -33.8 | -173.2 | -67.3 | 177.7 | 0 | 0 | 0 | 113.3 | L545 F546 G551 I564 | L545-L549 HydrophobicContact CD1-CD1 3.99Å; L545-L549 HydrophobicContact CD1-CG 4.44Å; L545-L549 HydrophobicContact CG-CD1 3.89Å; L545-L549 VanDerWaalsContact O-CG 3.25Å; L545-L549 WeakPolarHBondContact O-CG 3.19Å; L545-L549 PolarHBondContact O-N 3.31Å; F546-L549 CarbonylContact O-C 3.49Å; F546-L549 WeakPolarHBondContact O-CA 3.39Å; F546-L549 PolarHBondContact O-N 3.05Å; L549-G551 VanDerWaalsContact C-N 3.33Å; L549-G551 PolarHBondContact O-N 3.48Å; L549-I564 HydrophobicContact CB-CD1 3.79Å; L549-I564 HydrophobicContact CB-CG1 4.39Å; L549-I564 HydrophobicContact CD1-CD1 3.96Å; L549-I564 HydrophobicContact CD1-CG1 4.02Å; L549-I564 HydrophobicContact CD1-CG2 3.99Å; L549-I564 HydrophobicContact CD2-CD1 4.2Å; L549-I564 HydrophobicContact CD2-CG1 3.83Å; L549-I564 HydrophobicContact CG-CD1 4.18Å; L549-I564 HydrophobicContact CG-CG1 4.28Å |
| 550 | A | 78.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -89.9 | 14 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F546 M554 E555 I556 | F546-A550 HydrophobicContact CD1-CB 3.99Å; F546-A550 HydrophobicContact CD2-CB 4.4Å; F546-A550 HydrophobicContact CE1-CB 3.58Å; F546-A550 HydrophobicContact CE2-CB 4.05Å; F546-A550 HydrophobicContact CG-CB 4.38Å; F546-A550 HydrophobicContact CZ-CB 3.61Å; F546-A550 VanDerWaalsContact O-CB 3.31Å; F546-A550 WeakPolarHBondContact O-CB 3.4Å; F546-A550 PolarHBondContact O-N 3.45Å; A550-M554 WeakPolarHBondContact O-CA 3.28Å; A550-M554 PolarHBondContact O-N 3.18Å; A550-M554 VanDerWaalsContact O-N 3.07Å; A550-E555 PolarHBondContact O-N 3.04Å; A550-I556 HydrophobicContact CB-CG1 3.81Å |
| 551 | G | 78.3 | Confident | 82.7 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -148.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L549 | L549-G551 VanDerWaalsContact C-N 3.33Å; L549-G551 PolarHBondContact O-N 3.48Å |
| 552 | N | 77.2 | Confident | 83.3 | Confident | 174 Ų | 174 | 58.4 Ų | 58.4 | 93% | 0.93 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -22.2 | -177.9 | -69.8 | -29.5 | 0 | 0 | 0 | 112.9 | M554 | N552-M554 VanDerWaalsContact C-N 3.33Š|
| 553 | D | 81.4 | Confident | 83.6 | Confident | 76 Ų | 76 | 61.3 Ų | 61.3 | 41% | 0.406 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.2 | 178.8 | 54.5 | -27.1 | 0 | 0 | 0 | 112.8 | E555 K599 | D553-E555 PolarHBondContact O-N 2.81Å; D553-K599 IonicContact OD2-NZ 2.71Å; D553-K599 PolarHBondContact OD2-NZ 3.43Å |
| 554 | M | 83.4 | Confident | 83.8 | Confident | 87 Ų | 87 | 60.1 Ų | 60.1 | 43% | 0.429 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 25 | 176.2 | -70.4 | -70.9 | -62.2 | 0 | 0 | 113.3 | F546 R547 A550 N552 | F546-M554 HydrophobicContact CD1-CE 4.33Å; F546-M554 HydrophobicContact CE1-CE 4.19Å; F546-M554 VanDerWaalsContact CE1-O 3.31Å; F546-M554 WeakPolarHBondContact CE1-O 3.41Å; F546-M554 VanDerWaalsContact CZ-O 3.32Å; F546-M554 WeakPolarHBondContact CZ-O 3.49Å; R547-M554 HydrophobicContact CG-CE 3.79Å; R547-M554 HydrophobicContact CG-SD 3.91Å; A550-M554 WeakPolarHBondContact O-CA 3.28Å; A550-M554 PolarHBondContact O-N 3.18Å; A550-M554 VanDerWaalsContact O-N 3.07Å; N552-M554 VanDerWaalsContact C-N 3.33Å |
| 555 | E | 86.6 | Confident | 84.1 | Confident | 59 Ų | 59 | 57.3 Ų | 57.3 | 28% | 0.276 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -131.9 | 144.6 | 178.8 | -67.3 | 173.6 | 153.2 | 0 | 0 | 108.5 | A550 D553 K599 L600 | A550-E555 PolarHBondContact O-N 3.04Å; D553-E555 PolarHBondContact O-N 2.81Å; E555-K599 HydrophobicContact CB-CB 4.04Å; E555-K599 HydrophobicContact CB-CD 3.67Å; E555-K599 HydrophobicContact CG-CD 4.44Å; E555-K599 WeakPolarHBondContact OE2-CD 3.38Å; E555-K599 IonicContact OE2-NZ 2.9Å; E555-K599 PolarHBondContact OE2-NZ 2.98Å; E555-L600 WeakPolarHBondContact CA-O 3.43Å |
| 556 | I | 86.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -95.9 | 118 | 177.4 | -64.7 | 175.5 | 0 | 0 | 0 | 109.2 | F546 A550 E560 L561 I564 L600 F605 | F546-I556 HydrophobicContact CD2-CD1 3.62Å; F546-I556 HydrophobicContact CD2-CG1 4.25Å; F546-I556 HydrophobicContact CE2-CD1 3.43Å; F546-I556 VanDerWaalsContact CE2-CD1 3.43Å; F546-I556 HydrophobicContact CE2-CG1 3.66Å; F546-I556 HydrophobicContact CZ-CD1 4.48Å; F546-I556 HydrophobicContact CZ-CG1 4.28Å; A550-I556 HydrophobicContact CB-CG1 3.81Å; I556-E560 HydrophobicContact CG2-CB 3.97Å; I556-L561 HydrophobicContact CG2-CB 3.85Å; I556-L561 HydrophobicContact CG2-CD1 4.49Å; I556-I564 HydrophobicContact CD1-CD1 4.2Å; I556-I564 HydrophobicContact CG2-CD1 4.15Å; I556-L600 HydrophobicContact CB-CB 4.34Å; I556-L600 PolarHBondContact N-O 3.05Å; I556-L600 PolarHBondContact O-N 3.33Å; I556-F605 HydrophobicContact CD1-CB 4.2Å; I556-F605 HydrophobicContact CD1-CD1 3.79Å; I556-F605 HydrophobicContact CD1-CD2 3.54Å; I556-F605 HydrophobicContact CD1-CE1 3.98Å; I556-F605 HydrophobicContact CD1-CE2 3.76Å; I556-F605 HydrophobicContact CD1-CG 3.55Å; I556-F605 HydrophobicContact CD1-CZ 3.97Å |
| 557 | S | 88.6 | Confident | 84.6 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | trans | -78.6 | 166.7 | 173.3 | 69.4 | 0 | 0 | 0 | 0 | 112.8 | T559 E560 L561 | S557-T559 VanDerWaalsContact C-N 3.31Å; S557-T559 PolarHBondContact O-N 3.45Å; S557-T559 PolarHBondContact OG-OG1 2.88Å; S557-E560 VanDerWaalsContact CB-OE2 3.26Å; S557-E560 WeakPolarHBondContact CB-OE2 3.48Å; S557-E560 PolarHBondContact N-OE2 2.96Å; S557-E560 PolarHBondContact O-N 3.22Å; S557-E560 VanDerWaalsContact O-N 3.15Å; S557-E560 WeakPolarHBondContact OG-CG 3.38Å; S557-E560 PolarHBondContact OG-OE2 3.47Å; S557-L561 PolarHBondContact O-N 3.02Å | ||
| 558 | L | 87.4 | Confident | 84.6 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 20% | 0.199 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -50.9 | -46.7 | 176.5 | -178.4 | 71.3 | 0 | 0 | 0 | 113.7 | Q562 C585 R586 I589 | L558-Q562 PolarHBondContact O-N 2.86Å; L558-Q562 VanDerWaalsContact O-N 3.09Å; L558-C585 HydrophobicContact CD1-CB 3.54Å; L558-R586 HydrophobicContact CD1-CB 4.19Å; L558-R586 HydrophobicContact CD1-CG 3.43Å; L558-R586 VanDerWaalsContact CD1-CG 3.43Å; L558-R586 HydrophobicContact CD2-CG 3.79Å; L558-R586 HydrophobicContact CG-CG 4.26Å; L558-I589 HydrophobicContact CB-CD1 4.09Å; L558-I589 HydrophobicContact CD1-CD1 3.95Å |
| 559 | T | 86.8 | Confident | 84.7 | Confident | 82 Ų | 82 | 51.5 Ų | 51.5 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.4 | -34.3 | -177.6 | 40.5 | 0 | 0 | 0 | 0 | 112.3 | S557 T563 | S557-T559 VanDerWaalsContact C-N 3.31Å; S557-T559 PolarHBondContact O-N 3.45Å; S557-T559 PolarHBondContact OG-OG1 2.88Å; T559-T563 WeakPolarHBondContact O-CB 3.5Å; T559-T563 PolarHBondContact O-N 2.74Å; T559-T563 VanDerWaalsContact O-N 3.14Å; T559-T563 PolarHBondContact O-OG1 2.94Å |
| 560 | E | 87.9 | Confident | 84.9 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 27% | 0.271 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.3 | -47 | 176.4 | -71.8 | 160.5 | 153.8 | 0 | 0 | 110.1 | I556 S557 Q562 T563 I564 | I556-E560 HydrophobicContact CG2-CB 3.97Å; S557-E560 VanDerWaalsContact CB-OE2 3.26Å; S557-E560 WeakPolarHBondContact CB-OE2 3.48Å; S557-E560 PolarHBondContact N-OE2 2.96Å; S557-E560 PolarHBondContact O-N 3.22Å; S557-E560 VanDerWaalsContact O-N 3.15Å; S557-E560 WeakPolarHBondContact OG-CG 3.38Å; S557-E560 PolarHBondContact OG-OE2 3.47Å; E560-Q562 VanDerWaalsContact C-N 3.32Å; E560-Q562 PolarHBondContact O-N 2.76Å; E560-T563 PolarHBondContact O-N 2.98Å; E560-T563 VanDerWaalsContact O-N 3.12Å; E560-I564 HydrophobicContact CB-CD1 4.38Å; E560-I564 WeakPolarHBondContact O-CB 3.49Å; E560-I564 VanDerWaalsContact O-CD1 3.27Å; E560-I564 WeakPolarHBondContact O-CD1 3.41Å; E560-I564 WeakPolarHBondContact O-CG1 3.44Å; E560-I564 PolarHBondContact O-N 3.42Å |
| 561 | L | 88.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.5 | -48.9 | 176.3 | -175.7 | 61 | 0 | 0 | 0 | 111.3 | I556 S557 T563 I564 L565 C585 M588 I589 L600 F605 L608 | I556-L561 HydrophobicContact CG2-CB 3.85Å; I556-L561 HydrophobicContact CG2-CD1 4.49Å; S557-L561 PolarHBondContact O-N 3.02Å; L561-T563 VanDerWaalsContact C-N 3.35Å; L561-T563 PolarHBondContact O-N 2.68Å; L561-I564 PolarHBondContact O-N 2.87Å; L561-L565 HydrophobicContact CD1-CD1 3.88Å; L561-L565 HydrophobicContact CD1-CG 4.01Å; L561-L565 HydrophobicContact CG-CD1 3.92Å; L561-L565 HydrophobicContact CG-CG 4.37Å; L561-L565 WeakPolarHBondContact O-CB 3.46Å; L561-L565 WeakPolarHBondContact O-CG 3.45Å; L561-L565 PolarHBondContact O-N 2.9Å; L561-C585 HydrophobicContact CD2-CB 4.08Å; L561-C585 HydrophobicContact CG-CB 4.42Å; L561-M588 HydrophobicContact CD2-CB 4.33Å; L561-I589 HydrophobicContact CD2-CD1 4.17Å; L561-I589 HydrophobicContact CD2-CG1 3.82Å; L561-L600 HydrophobicContact CD1-CD1 4.35Å; L561-L600 HydrophobicContact CD2-CD1 3.96Å; L561-F605 HydrophobicContact CD1-CD2 4.18Å; L561-F605 HydrophobicContact CD1-CE2 3.75Å; L561-L608 HydrophobicContact CD1-CD2 4.19Å; L561-L608 HydrophobicContact CD2-CD2 4.24Å |
| 562 | Q | 90.6 | Very high | 85.3 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.2 | -47 | 177.4 | -175.4 | 177.1 | 38.9 | 0 | 0 | 111.9 | L558 E560 I564 N566 F580 | L558-Q562 PolarHBondContact O-N 2.86Å; L558-Q562 VanDerWaalsContact O-N 3.09Å; E560-Q562 VanDerWaalsContact C-N 3.32Å; E560-Q562 PolarHBondContact O-N 2.76Å; Q562-I564 VanDerWaalsContact C-N 3.33Å; Q562-I564 PolarHBondContact O-N 3.31Å; Q562-N566 VanDerWaalsContact O-CB 3.3Å; Q562-N566 WeakPolarHBondContact O-CB 3.3Å; Q562-N566 VanDerWaalsContact O-CG 3.24Å; Q562-N566 PolarHBondContact O-N 3.06Å; Q562-F580 PolarHBondContact NE2-O 3.16Å |
| 563 | T | 86.7 | Confident | 85.4 | Confident | 83 Ų | 83 | 63 Ų | 63 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | -178.3 | -56 | 0 | 0 | 0 | 0 | 111.4 | T559 E560 L561 R567 | T559-T563 WeakPolarHBondContact O-CB 3.5Å; T559-T563 PolarHBondContact O-N 2.74Å; T559-T563 VanDerWaalsContact O-N 3.14Å; T559-T563 PolarHBondContact O-OG1 2.94Å; E560-T563 PolarHBondContact O-N 2.98Å; E560-T563 VanDerWaalsContact O-N 3.12Å; L561-T563 VanDerWaalsContact C-N 3.35Å; L561-T563 PolarHBondContact O-N 2.68Å; T563-R567 VanDerWaalsContact O-CB 3.27Å; T563-R567 WeakPolarHBondContact O-CB 3.4Å; T563-R567 PolarHBondContact O-N 3.12Å |
| 564 | I | 86.1 | Confident | 85.4 | Confident | 15 Ų | 15 | 63 Ų | 63 | 8% | 0.077 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -54.6 | 178.6 | -67.2 | 158.8 | 0 | 0 | 0 | 110 | L549 I556 E560 L561 Q562 N566 R567 I568 F605 | L549-I564 HydrophobicContact CB-CD1 3.79Å; L549-I564 HydrophobicContact CB-CG1 4.39Å; L549-I564 HydrophobicContact CD1-CD1 3.96Å; L549-I564 HydrophobicContact CD1-CG1 4.02Å; L549-I564 HydrophobicContact CD1-CG2 3.99Å; L549-I564 HydrophobicContact CD2-CD1 4.2Å; L549-I564 HydrophobicContact CD2-CG1 3.83Å; L549-I564 HydrophobicContact CG-CD1 4.18Å; L549-I564 HydrophobicContact CG-CG1 4.28Å; I556-I564 HydrophobicContact CD1-CD1 4.2Å; I556-I564 HydrophobicContact CG2-CD1 4.15Å; E560-I564 HydrophobicContact CB-CD1 4.38Å; E560-I564 WeakPolarHBondContact O-CB 3.49Å; E560-I564 VanDerWaalsContact O-CD1 3.27Å; E560-I564 WeakPolarHBondContact O-CD1 3.41Å; E560-I564 WeakPolarHBondContact O-CG1 3.44Å; E560-I564 PolarHBondContact O-N 3.42Å; L561-I564 PolarHBondContact O-N 2.87Å; Q562-I564 VanDerWaalsContact C-N 3.33Å; Q562-I564 PolarHBondContact O-N 3.31Å; I564-N566 PolarHBondContact O-N 3.03Å; I564-R567 PolarHBondContact O-N 2.85Å; I564-I568 HydrophobicContact CG2-CD1 3.99Å; I564-I568 WeakPolarHBondContact O-CG1 3.43Å; I564-I568 PolarHBondContact O-N 2.77Å; I564-I568 VanDerWaalsContact O-N 3.11Å; I564-F605 HydrophobicContact CG2-CZ 4.32Å |
| 565 | L | 86.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | -177 | -66.3 | 178.5 | 0 | 0 | 0 | 111 | L561 R567 I568 M569 F580 M588 W609 I612 | L561-L565 HydrophobicContact CD1-CD1 3.88Å; L561-L565 HydrophobicContact CD1-CG 4.01Å; L561-L565 HydrophobicContact CG-CD1 3.92Å; L561-L565 HydrophobicContact CG-CG 4.37Å; L561-L565 WeakPolarHBondContact O-CB 3.46Å; L561-L565 WeakPolarHBondContact O-CG 3.45Å; L561-L565 PolarHBondContact O-N 2.9Å; L565-R567 PolarHBondContact O-N 3.14Å; L565-I568 CarbonylContact O-C 3.58Å; L565-I568 WeakPolarHBondContact O-CA 3.37Å; L565-I568 PolarHBondContact O-N 3.21Å; L565-M569 WeakPolarHBondContact O-CG 3.46Å; L565-M569 PolarHBondContact O-N 2.73Å; L565-F580 HydrophobicContact CB-CD2 3.53Å; L565-F580 HydrophobicContact CB-CE2 4.03Å; L565-F580 HydrophobicContact CB-CG 4.26Å; L565-F580 HydrophobicContact CD1-CD2 4.05Å; L565-F580 HydrophobicContact CD1-CE2 4.36Å; L565-F580 HydrophobicContact CD1-CG 4.17Å; L565-F580 HydrophobicContact CG-CD2 4.35Å; L565-M588 HydrophobicContact CD1-CE 4.38Å; L565-M588 HydrophobicContact CD1-SD 3.79Å; L565-W609 HydrophobicContact CD2-CE3 4.29Å; L565-W609 HydrophobicContact CD2-CZ3 3.88Å; L565-I612 HydrophobicContact CD1-CD1 4.16Å; L565-I612 HydrophobicContact CD2-CD1 3.72Å |
| 566 | N | 87.9 | Confident | 85.2 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | -179.8 | -68.8 | -4.9 | 0 | 0 | 0 | 112.6 | Q562 I564 I568 M569 S570 G579 F580 | Q562-N566 VanDerWaalsContact O-CB 3.3Å; Q562-N566 WeakPolarHBondContact O-CB 3.3Å; Q562-N566 VanDerWaalsContact O-CG 3.24Å; Q562-N566 PolarHBondContact O-N 3.06Å; I564-N566 PolarHBondContact O-N 3.03Å; N566-I568 PolarHBondContact O-N 2.93Å; N566-M569 PolarHBondContact O-N 3.09Å; N566-S570 PolarHBondContact O-N 3Å; N566-G579 WeakPolarHBondContact OD1-CA 3.43Å; N566-F580 PolarHBondContact ND2-O 3.3Å; N566-F580 PolarHBondContact OD1-N 3.24Å |
| 567 | R | 85.1 | Confident | 84.9 | Confident | 169 Ų | 169 | 64.9 Ų | 64.9 | 64% | 0.638 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.9 | -34.6 | 171.4 | -175.9 | 179.3 | -77.6 | 175.3 | -3 | 111.2 | T563 I564 L565 S570 | T563-R567 VanDerWaalsContact O-CB 3.27Å; T563-R567 WeakPolarHBondContact O-CB 3.4Å; T563-R567 PolarHBondContact O-N 3.12Å; I564-R567 PolarHBondContact O-N 2.85Å; L565-R567 PolarHBondContact O-N 3.14Å; R567-S570 PolarHBondContact O-OG 3.39Å |
| 568 | I | 82.1 | Confident | 84.5 | Confident | 40 Ų | 40 | 72.1 Ų | 72.1 | 21% | 0.205 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -77.9 | -42.8 | 178.2 | -60.2 | 165.8 | 0 | 0 | 0 | 110.9 | I564 L565 N566 S570 K571 H572 W609 | I564-I568 HydrophobicContact CG2-CD1 3.99Å; I564-I568 WeakPolarHBondContact O-CG1 3.43Å; I564-I568 PolarHBondContact O-N 2.77Å; I564-I568 VanDerWaalsContact O-N 3.11Å; L565-I568 CarbonylContact O-C 3.58Å; L565-I568 WeakPolarHBondContact O-CA 3.37Å; L565-I568 PolarHBondContact O-N 3.21Å; N566-I568 PolarHBondContact O-N 2.93Å; I568-S570 PolarHBondContact O-N 3.02Å; I568-K571 WeakPolarHBondContact O-CB 3.5Å; I568-K571 PolarHBondContact O-N 3.36Å; I568-H572 PolarHBondContact O-CD2 2.99Å; I568-W609 HydrophobicContact CB-CH2 4.4Å; I568-W609 HydrophobicContact CD1-CH2 3.34Å; I568-W609 HydrophobicContact CD1-CZ2 4.09Å; I568-W609 HydrophobicContact CD1-CZ3 3.64Å; I568-W609 HydrophobicContact CG1-CH2 4.35Å; I568-W609 HydrophobicContact CG2-CH2 3.84Å |
| 569 | M | 83.1 | Confident | 84.4 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 6% | 0.059 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.7 | -35.5 | 176.1 | -66.9 | -53.6 | 99 | 0 | 0 | 111.9 | L565 N566 K571 H572 L575 F580 F667 | L565-M569 WeakPolarHBondContact O-CG 3.46Å; L565-M569 PolarHBondContact O-N 2.73Å; N566-M569 PolarHBondContact O-N 3.09Å; M569-K571 PolarHBondContact O-N 3.34Å; M569-H572 PolarHBondContact O-N 2.73Å; M569-L575 HydrophobicContact SD-CD1 4.15Å; M569-F580 HydrophobicContact CE-CE2 4.29Å; M569-F580 HydrophobicContact CG-CD2 3.8Å; M569-F580 HydrophobicContact CG-CE2 3.52Å; M569-F580 HydrophobicContact SD-CE2 3.77Å; M569-F580 HydrophobicContact SD-CZ 4.47Å; M569-F667 HydrophobicContact CE-CE1 4.37Å; M569-F667 HydrophobicContact SD-CD1 3.68Å; M569-F667 HydrophobicContact SD-CE1 3.66Å |
| 570 | S | 82.8 | Confident | 84.4 | Confident | 85 Ų | 85 | 67 Ų | 67 | 59% | 0.594 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -17.6 | 175.5 | 75.7 | 0 | 0 | 0 | 0 | 114.6 | N566 R567 I568 | N566-S570 PolarHBondContact O-N 3Å; R567-S570 PolarHBondContact O-OG 3.39Å; I568-S570 PolarHBondContact O-N 3.02Å |
| 571 | K | 84 | Confident | 84.5 | Confident | 161 Ų | 161 | 65.9 Ų | 65.9 | 70% | 0.7 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -18 | 174.5 | -60.1 | -179.2 | 178.8 | 179 | 0 | 113 | I568 M569 K573 | I568-K571 WeakPolarHBondContact O-CB 3.5Å; I568-K571 PolarHBondContact O-N 3.36Å; M569-K571 PolarHBondContact O-N 3.34Å; K571-K573 PolarHBondContact O-N 3.25Å |
| 572 | H | 82.3 | Confident | 84.5 | Confident | 50 Ų | 50 | 70.7 Ų | 70.7 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | trans | -98.4 | 77.6 | -179 | -67.1 | -60.4 | 0 | 0 | 0 | 110.4 | I568 M569 D574 L575 R620 | I568-H572 PolarHBondContact O-CD2 2.99Å; M569-H572 PolarHBondContact O-N 2.73Å; H572-D574 VanDerWaalsContact C-OD1 3.25Å; H572-D574 WeakPolarHBondContact CA-OD1 3.37Å; H572-D574 WeakPolarHBondContact CB-OD1 3.29Å; H572-D574 PolarHBondContact O-N 3.32Å; H572-D574 VanDerWaalsContact O-N 3.16Å; H572-L575 HydrophobicContact CB-CD1 3.91Å; H572-L575 HydrophobicContact CB-CG 4.23Å; H572-L575 PolarHBondContact O-N 2.99Å; H572-L575 VanDerWaalsContact O-N 3.16Å; H572-R620 PolarHBondContact ND1-NH2 3.45Å | ||
| 573 | K | 79.1 | Confident | 84.3 | Confident | 199 Ų | 199 | 74.8 Ų | 74.8 | 87% | 0.865 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -12.3 | -179 | -61.8 | -172.5 | 179.6 | -175.1 | 0 | 114.1 | K571 L575 | K571-K573 PolarHBondContact O-N 3.25Å; K573-L575 VanDerWaalsContact C-N 3.3Å |
| 574 | D | 80.4 | Confident | 84.3 | Confident | 78 Ų | 78 | 70.9 Ų | 70.9 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -21.1 | 174.7 | 53.5 | -53.9 | 0 | 0 | 0 | 112.9 | H572 R620 G628 | H572-D574 VanDerWaalsContact C-OD1 3.25Å; H572-D574 WeakPolarHBondContact CA-OD1 3.37Å; H572-D574 WeakPolarHBondContact CB-OD1 3.29Å; H572-D574 PolarHBondContact O-N 3.32Å; H572-D574 VanDerWaalsContact O-N 3.16Å; D574-R620 IonicContact OD1-NH2 2.79Å; D574-R620 PolarHBondContact OD1-NH2 3.34Å; D574-R620 IonicContact OD2-CZ 2.79Å; D574-R620 IonicContact OD2-NE 3.28Å; D574-R620 PolarHBondContact OD2-NE 2.93Å; D574-R620 IonicContact OD2-NH2 2.63Å; D574-R620 PolarHBondContact OD2-NH2 3.05Å; D574-G628 WeakPolarHBondContact O-CA 3.39Å |
| 575 | L | 84.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -93.7 | 135.7 | 178.6 | -58.8 | 173.6 | 0 | 0 | 0 | 110.6 | M569 H572 K573 T577 L616 F619 F667 | M569-L575 HydrophobicContact SD-CD1 4.15Å; H572-L575 HydrophobicContact CB-CD1 3.91Å; H572-L575 HydrophobicContact CB-CG 4.23Å; H572-L575 PolarHBondContact O-N 2.99Å; H572-L575 VanDerWaalsContact O-N 3.16Å; K573-L575 VanDerWaalsContact C-N 3.3Å; L575-T577 HydrophobicContact CB-CG2 4.21Å; L575-T577 PolarHBondContact O-N 3.39Å; L575-L616 HydrophobicContact CD1-CD1 3.72Å; L575-L616 HydrophobicContact CD2-CD1 4.24Å; L575-L616 HydrophobicContact CG-CD1 4.46Å; L575-F619 HydrophobicContact CD2-CD1 3.73Å; L575-F619 HydrophobicContact CD2-CE1 3.61Å; L575-F619 HydrophobicContact CD2-CZ 4.48Å; L575-F667 HydrophobicContact CD1-CB 4.34Å; L575-F667 HydrophobicContact CD1-CD1 4.06Å; L575-F667 HydrophobicContact CD1-CG 4.12Å |
| 576 | K | 82.6 | Confident | 84.6 | Confident | 134 Ų | 134 | 75.9 Ų | 75.9 | 58% | 0.583 | 36% | 0.362 | S | S | * | . | trans | -99.4 | 85.3 | 174.7 | -170.7 | -172.7 | 175.7 | -159.9 | 0 | 108.7 | G628 T629 | K576-G628 PolarHBondContact N-O 3.12Å; K576-T629 HydrophobicContact CB-CG2 3.98Å; K576-T629 HydrophobicContact CD-CG2 4.04Å; K576-T629 HydrophobicContact CG-CG2 4.43Å | ||
| 577 | T | 79.9 | Confident | 84.6 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | trans | -144.8 | 149.4 | -179.7 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | L575 G579 D666 | L575-T577 HydrophobicContact CB-CG2 4.21Å; L575-T577 PolarHBondContact O-N 3.39Å; T577-G579 PolarHBondContact O-N 3.02Å; T577-G579 PolarHBondContact OG1-N 3.47Å; T577-D666 WeakPolarHBondContact CB-OD2 3.39Å; T577-D666 PolarHBondContact OG1-OD2 2.92Å | ||
| 578 | D | 79.6 | Confident | 84.8 | Confident | 175 Ų | 175 | 66.2 Ų | 66.2 | 94% | 0.936 | 32% | 0.324 | S | S | * | . | trans | -80.4 | 1.8 | 172.5 | -68.9 | -27.9 | 0 | 0 | 0 | 112.4 | ||||
| 579 | G | 85.1 | Confident | 85.1 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | trans | 93.4 | 174.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112 | N566 T577 S581 | N566-G579 WeakPolarHBondContact OD1-CA 3.43Å; T577-G579 PolarHBondContact O-N 3.02Å; T577-G579 PolarHBondContact OG1-N 3.47Å; G579-S581 PolarHBondContact O-N 3.47Å | ||
| 580 | F | 88.5 | Confident | 85.2 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 1% | 0.013 | 33% | 0.327 | C | S | . | . | trans | -65.9 | 128.6 | 179.6 | -70.7 | -81.1 | 0 | 0 | 0 | 112.5 | Q562 L565 N566 M569 A584 M588 F667 D668 V671 | Q562-F580 PolarHBondContact NE2-O 3.16Å; L565-F580 HydrophobicContact CB-CD2 3.53Å; L565-F580 HydrophobicContact CB-CE2 4.03Å; L565-F580 HydrophobicContact CB-CG 4.26Å; L565-F580 HydrophobicContact CD1-CD2 4.05Å; L565-F580 HydrophobicContact CD1-CE2 4.36Å; L565-F580 HydrophobicContact CD1-CG 4.17Å; L565-F580 HydrophobicContact CG-CD2 4.35Å; N566-F580 PolarHBondContact ND2-O 3.3Å; N566-F580 PolarHBondContact OD1-N 3.24Å; M569-F580 HydrophobicContact CE-CE2 4.29Å; M569-F580 HydrophobicContact CG-CD2 3.8Å; M569-F580 HydrophobicContact CG-CE2 3.52Å; M569-F580 HydrophobicContact SD-CE2 3.77Å; M569-F580 HydrophobicContact SD-CZ 4.47Å; F580-A584 HydrophobicContact CD1-CB 4.13Å; F580-M588 HydrophobicContact CD1-CE 3.4Å; F580-M588 VanDerWaalsContact CD1-CE 3.4Å; F580-M588 HydrophobicContact CE1-CE 3.35Å; F580-M588 HydrophobicContact CG-CE 4.36Å; F580-M588 HydrophobicContact CZ-CE 4.23Å; F580-F667 HydrophobicContact CE2-CD1 4.38Å; F580-F667 HydrophobicContact CE2-CE1 4.22Å; F580-F667 AromaticContact CZ-CD1 3.88Å; F580-F667 HydrophobicContact CZ-CD1 3.88Å; F580-F667 AromaticContact CZ-CE1 3.65Å; F580-F667 HydrophobicContact CZ-CE1 3.65Å; F580-D668 HydrophobicContact CD1-CB 4.48Å; F580-D668 WeakPolarHBondContact CD1-OD1 3.47Å; F580-V671 HydrophobicContact CE1-CB 3.92Å; F580-V671 HydrophobicContact CE1-CG1 4.02Å; F580-V671 HydrophobicContact CE1-CG2 4.22Å; F580-V671 HydrophobicContact CZ-CB 4.49Å; F580-V671 HydrophobicContact CZ-CG2 4.31Å | ||
| 581 | S | 89.9 | Confident | 85.3 | Confident | 34 Ų | 34 | 63.3 Ų | 63.3 | 24% | 0.238 | 30% | 0.303 | C | S | . | . | trans | -69.5 | 163.6 | 170.7 | 62.3 | 0 | 0 | 0 | 0 | 112.3 | G579 E583 A584 C585 D668 | G579-S581 PolarHBondContact O-N 3.47Å; S581-E583 VanDerWaalsContact C-N 3.3Å; S581-A584 PolarHBondContact O-N 3.13Å; S581-A584 VanDerWaalsContact OG-CB 3.31Å; S581-A584 WeakPolarHBondContact OG-CB 3.22Å; S581-A584 PolarHBondContact OG-N 2.91Å; S581-C585 PolarHBondContact O-N 3.43Å; S581-C585 PolarHBondContact O-SG 2.79Å; S581-D668 VanDerWaalsContact CB-OD2 3.24Å; S581-D668 WeakPolarHBondContact CB-OD2 3.36Å; S581-D668 PolarHBondContact N-OD2 3.24Å; S581-D668 PolarHBondContact OG-OD2 3.48Å | ||
| 582 | K | 88.3 | Confident | 85.3 | Confident | 101 Ų | 101 | 56.2 Ų | 56.2 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.8 | -32.8 | 174.2 | -70.8 | -177.4 | -178.2 | 176.5 | 0 | 111.5 | R586 | K582-R586 WeakPolarHBondContact O-CG 3.41Å; K582-R586 PolarHBondContact O-N 3.15Å |
| 583 | E | 86.3 | Confident | 85.3 | Confident | 125 Ų | 125 | 55 Ų | 55 | 58% | 0.584 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64 | -46.2 | 174.1 | -73.4 | 92.8 | -140.4 | 0 | 0 | 111.3 | S581 C585 R586 S587 | S581-E583 VanDerWaalsContact C-N 3.3Å; E583-C585 VanDerWaalsContact C-N 3.33Å; E583-C585 PolarHBondContact O-N 3Å; E583-R586 WeakPolarHBondContact O-CB 3.29Å; E583-R586 PolarHBondContact O-N 3.1Å; E583-R586 VanDerWaalsContact O-N 3.08Å; E583-S587 PolarHBondContact O-N 3.17Å |
| 584 | A | 87.4 | Confident | 85 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.9 | -49.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | F580 S581 R586 S587 M588 D668 T672 | F580-A584 HydrophobicContact CD1-CB 4.13Å; S581-A584 PolarHBondContact O-N 3.13Å; S581-A584 VanDerWaalsContact OG-CB 3.31Å; S581-A584 WeakPolarHBondContact OG-CB 3.22Å; S581-A584 PolarHBondContact OG-N 2.91Å; A584-R586 VanDerWaalsContact C-N 3.32Å; A584-R586 PolarHBondContact O-N 2.69Å; A584-S587 PolarHBondContact O-N 3.37Å; A584-M588 HydrophobicContact CB-CE 4.24Å; A584-M588 VanDerWaalsContact O-CG 3.3Å; A584-M588 WeakPolarHBondContact O-CG 3.29Å; A584-M588 PolarHBondContact O-N 3.37Å; A584-D668 WeakPolarHBondContact CB-OD1 3.43Å; A584-T672 HydrophobicContact CB-CG2 4.44Å; A584-T672 WeakPolarHBondContact CB-OG1 3.47Å |
| 585 | C | 89.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -35.6 | 177.6 | -69.1 | 0 | 0 | 0 | 0 | 112.5 | L558 L561 S581 E583 M588 I589 | L558-C585 HydrophobicContact CD1-CB 3.54Å; L561-C585 HydrophobicContact CD2-CB 4.08Å; L561-C585 HydrophobicContact CG-CB 4.42Å; S581-C585 PolarHBondContact O-N 3.43Å; S581-C585 PolarHBondContact O-SG 2.79Å; E583-C585 VanDerWaalsContact C-N 3.33Å; E583-C585 PolarHBondContact O-N 3Å; C585-M588 PolarHBondContact O-N 3.25Å; C585-I589 VanDerWaalsContact O-CG1 3.29Å; C585-I589 WeakPolarHBondContact O-CG1 3.4Å; C585-I589 PolarHBondContact O-N 2.75Å |
| 586 | R | 88.3 | Confident | 84.4 | Confident | 120 Ų | 120 | 55.4 Ų | 55.4 | 45% | 0.453 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 173.7 | -76 | -177.7 | -171.4 | 112.5 | -3.9 | 111.4 | L558 K582 E583 A584 M588 I589 N590 | L558-R586 HydrophobicContact CD1-CB 4.19Å; L558-R586 HydrophobicContact CD1-CG 3.43Å; L558-R586 VanDerWaalsContact CD1-CG 3.43Å; L558-R586 HydrophobicContact CD2-CG 3.79Å; L558-R586 HydrophobicContact CG-CG 4.26Å; K582-R586 WeakPolarHBondContact O-CG 3.41Å; K582-R586 PolarHBondContact O-N 3.15Å; E583-R586 WeakPolarHBondContact O-CB 3.29Å; E583-R586 PolarHBondContact O-N 3.1Å; E583-R586 VanDerWaalsContact O-N 3.08Å; A584-R586 VanDerWaalsContact C-N 3.32Å; A584-R586 PolarHBondContact O-N 2.69Å; R586-M588 VanDerWaalsContact C-N 3.28Å; R586-M588 PolarHBondContact O-N 3.11Å; R586-I589 PolarHBondContact O-N 3.44Å; R586-N590 VanDerWaalsContact O-CG 3.27Å; R586-N590 PolarHBondContact O-N 3Å; R586-N590 PolarHBondContact O-OD1 2.63Å |
| 587 | S | 87.9 | Confident | 84.3 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 177.3 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | E583 A584 N590 L591 V675 | E583-S587 PolarHBondContact O-N 3.17Å; A584-S587 PolarHBondContact O-N 3.37Å; S587-N590 PolarHBondContact O-N 3.48Å; S587-L591 PolarHBondContact O-N 2.91Å; S587-V675 VanDerWaalsContact O-CG1 3.3Å; S587-V675 WeakPolarHBondContact O-CG1 3.24Å |
| 588 | M | 90.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 174.5 | -70.9 | 178.8 | -155.3 | 0 | 0 | 112.8 | L561 L565 F580 A584 C585 R586 M592 L608 I612 V671 V675 | L561-M588 HydrophobicContact CD2-CB 4.33Å; L565-M588 HydrophobicContact CD1-CE 4.38Å; L565-M588 HydrophobicContact CD1-SD 3.79Å; F580-M588 HydrophobicContact CD1-CE 3.4Å; F580-M588 VanDerWaalsContact CD1-CE 3.4Å; F580-M588 HydrophobicContact CE1-CE 3.35Å; F580-M588 HydrophobicContact CG-CE 4.36Å; F580-M588 HydrophobicContact CZ-CE 4.23Å; A584-M588 HydrophobicContact CB-CE 4.24Å; A584-M588 VanDerWaalsContact O-CG 3.3Å; A584-M588 WeakPolarHBondContact O-CG 3.29Å; A584-M588 PolarHBondContact O-N 3.37Å; C585-M588 PolarHBondContact O-N 3.25Å; R586-M588 VanDerWaalsContact C-N 3.28Å; R586-M588 PolarHBondContact O-N 3.11Å; M588-M592 WeakPolarHBondContact O-CG 3.31Å; M588-M592 PolarHBondContact O-N 3.07Å; M588-L608 HydrophobicContact CB-CD1 3.94Å; M588-L608 HydrophobicContact CB-CD2 4Å; M588-L608 HydrophobicContact CG-CD1 4.05Å; M588-L608 HydrophobicContact SD-CD1 4.31Å; M588-L608 HydrophobicContact SD-CD2 4.48Å; M588-I612 HydrophobicContact SD-CD1 3.99Å; M588-V671 HydrophobicContact CE-CB 4.45Å; M588-V671 HydrophobicContact CE-CG1 3.5Å; M588-V675 HydrophobicContact CG-CG1 4.24Å; M588-V675 HydrophobicContact CG-CG2 4.13Å |
| 589 | I | 87.9 | Confident | 84.8 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -51.2 | 174.6 | -67.1 | 169.8 | 0 | 0 | 0 | 109.1 | L558 L561 C585 R586 L591 M592 D593 L600 | L558-I589 HydrophobicContact CB-CD1 4.09Å; L558-I589 HydrophobicContact CD1-CD1 3.95Å; L561-I589 HydrophobicContact CD2-CD1 4.17Å; L561-I589 HydrophobicContact CD2-CG1 3.82Å; C585-I589 VanDerWaalsContact O-CG1 3.29Å; C585-I589 WeakPolarHBondContact O-CG1 3.4Å; C585-I589 PolarHBondContact O-N 2.75Å; R586-I589 PolarHBondContact O-N 3.44Å; I589-L591 VanDerWaalsContact C-N 3.25Å; I589-L591 PolarHBondContact O-N 2.61Å; I589-L591 VanDerWaalsContact O-N 3.17Å; I589-M592 CarbonylContact O-C 3.58Å; I589-M592 PolarHBondContact O-N 3.06Å; I589-D593 HydrophobicContact CG2-CB 4.13Å; I589-D593 WeakPolarHBondContact O-CB 3.41Å; I589-D593 PolarHBondContact O-N 3.11Å; I589-L600 HydrophobicContact CG1-CD1 4.03Å; I589-L600 HydrophobicContact CG1-CD2 4.49Å; I589-L600 HydrophobicContact CG1-CG 4.03Å |
| 590 | N | 84.9 | Confident | 84.9 | Confident | 55 Ų | 55 | 45.6 Ų | 45.6 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.1 | -33.6 | -179 | -68.2 | -2.4 | 0 | 0 | 0 | 113.8 | R586 S587 M592 F708 | R586-N590 VanDerWaalsContact O-CG 3.27Å; R586-N590 PolarHBondContact O-N 3Å; R586-N590 PolarHBondContact O-OD1 2.63Å; S587-N590 PolarHBondContact O-N 3.48Å; N590-M592 VanDerWaalsContact C-N 3.31Å; N590-F708 PolarHBondContact ND2-O 3.44Å |
| 591 | L | 84.3 | Confident | 84.8 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.5 | -33 | 175.8 | 175.4 | 61.4 | 0 | 0 | 0 | 112.6 | S587 I589 V675 E678 T679 K682 | S587-L591 PolarHBondContact O-N 2.91Å; I589-L591 VanDerWaalsContact C-N 3.25Å; I589-L591 PolarHBondContact O-N 2.61Å; I589-L591 VanDerWaalsContact O-N 3.17Å; L591-V675 HydrophobicContact CB-CG1 3.92Å; L591-V675 HydrophobicContact CD2-CB 4.24Å; L591-V675 HydrophobicContact CD2-CG1 3.8Å; L591-V675 HydrophobicContact CD2-CG2 4.22Å; L591-V675 HydrophobicContact CG-CG1 4.48Å; L591-E678 HydrophobicContact CD1-CB 4.19Å; L591-E678 HydrophobicContact CD1-CG 3.8Å; L591-E678 HydrophobicContact CD2-CB 4.34Å; L591-E678 HydrophobicContact CD2-CG 4.31Å; L591-T679 WeakPolarHBondContact CB-OG1 3.25Å; L591-T679 WeakPolarHBondContact CD1-OG1 3Å; L591-K682 HydrophobicContact CD1-CD 4.12Å |
| 592 | M | 85.4 | Confident | 84.6 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.054 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -107.5 | -20.4 | -167.1 | -65.2 | -58.9 | -41.9 | 0 | 0 | 114 | M588 I589 N590 V594 L600 E604 V607 L608 K611 | M588-M592 WeakPolarHBondContact O-CG 3.31Å; M588-M592 PolarHBondContact O-N 3.07Å; I589-M592 CarbonylContact O-C 3.58Å; I589-M592 PolarHBondContact O-N 3.06Å; N590-M592 VanDerWaalsContact C-N 3.31Å; M592-V594 VanDerWaalsContact C-N 3.32Å; M592-V594 PolarHBondContact O-N 3.05Å; M592-L600 HydrophobicContact CB-CD2 3.58Å; M592-E604 HydrophobicContact CB-CB 4.42Å; M592-E604 HydrophobicContact CE-CB 4.46Å; M592-E604 WeakPolarHBondContact CE-O 3.3Å; M592-E604 WeakPolarHBondContact O-CG 3.4Å; M592-V607 HydrophobicContact CE-CB 3.6Å; M592-V607 HydrophobicContact CE-CG1 3.54Å; M592-V607 HydrophobicContact SD-CG1 4.21Å; M592-L608 HydrophobicContact CG-CB 4.04Å; M592-L608 HydrophobicContact CG-CD1 4.07Å; M592-L608 HydrophobicContact CG-CG 4.47Å; M592-K611 HydrophobicContact SD-CD 4.33Å |
| 593 | D | 81.2 | Confident | 84.4 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 14% | 0.139 | 26% | 0.255 | C | S | . | . | trans | -72.1 | 81.1 | 180 | -179.9 | 16.5 | 0 | 0 | 0 | 110.1 | I589 D595 G596 S597 G598 | I589-D593 HydrophobicContact CG2-CB 4.13Å; I589-D593 WeakPolarHBondContact O-CB 3.41Å; I589-D593 PolarHBondContact O-N 3.11Å; D593-D595 VanDerWaalsContact C-N 3.31Å; D593-G596 VanDerWaalsContact OD1-CA 3.24Å; D593-G596 WeakPolarHBondContact OD1-CA 3.49Å; D593-G596 PolarHBondContact OD1-N 2.92Å; D593-G596 WeakPolarHBondContact OD2-CA 3.34Å; D593-S597 PolarHBondContact OD1-N 3.28Å; D593-S597 PolarHBondContact OD1-OG 2.83Å; D593-S597 PolarHBondContact OD2-N 3.23Å; D593-G598 VanDerWaalsContact OD2-CA 3.26Å; D593-G598 WeakPolarHBondContact OD2-CA 3.45Å; D593-G598 PolarHBondContact OD2-N 3.45Å | ||
| 594 | V | 72.9 | Confident | 84.4 | Confident | 131 Ų | 131 | 38.2 Ų | 38.2 | 79% | 0.794 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -76.9 | -24.7 | -178.8 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | M592 E604 | M592-V594 VanDerWaalsContact C-N 3.32Å; M592-V594 PolarHBondContact O-N 3.05Å; V594-E604 PolarHBondContact N-OE1 3.39Å |
| 595 | D | 74.3 | Confident | 84.4 | Confident | 106 Ų | 106 | 38.5 Ų | 38.5 | 57% | 0.567 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -93 | -9.6 | -176.8 | 69.8 | 6.7 | 0 | 0 | 0 | 114.4 | D593 S597 | D593-D595 VanDerWaalsContact C-N 3.31Å; D595-S597 VanDerWaalsContact C-N 3.32Å; D595-S597 WeakPolarHBondContact OD1-CB 3.16Å; D595-S597 PolarHBondContact OD1-N 3.39Å; D595-S597 PolarHBondContact OD1-OG 3.02Å |
| 596 | G | 77.5 | Confident | 84.2 | Confident | 63 Ų | 63 | 39.9 Ų | 39.9 | 65% | 0.649 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 75.3 | 20.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D593 G598 | D593-G596 VanDerWaalsContact OD1-CA 3.24Å; D593-G596 WeakPolarHBondContact OD1-CA 3.49Å; D593-G596 PolarHBondContact OD1-N 2.92Å; D593-G596 WeakPolarHBondContact OD2-CA 3.34Å; G596-G598 VanDerWaalsContact C-N 3.27Å; G596-G598 PolarHBondContact O-N 3.09Å |
| 597 | S | 81.7 | Confident | 84.1 | Confident | 49 Ų | 49 | 35.6 Ų | 35.6 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | trans | -71.6 | -20 | -179.7 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | D593 D595 K599 | D593-S597 PolarHBondContact OD1-N 3.28Å; D593-S597 PolarHBondContact OD1-OG 2.83Å; D593-S597 PolarHBondContact OD2-N 3.23Å; D595-S597 VanDerWaalsContact C-N 3.32Å; D595-S597 WeakPolarHBondContact OD1-CB 3.16Å; D595-S597 PolarHBondContact OD1-N 3.39Å; D595-S597 PolarHBondContact OD1-OG 3.02Å; S597-K599 PolarHBondContact O-N 3.26Å; S597-K599 PolarHBondContact OG-N 2.85Å; S597-K599 PolarHBondContact OG-O 3.46Å | ||
| 598 | G | 82 | Confident | 84.1 | Confident | 44 Ų | 44 | 35.1 Ų | 35.1 | 45% | 0.454 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 72 | 15 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D593 G596 | D593-G598 VanDerWaalsContact OD2-CA 3.26Å; D593-G598 WeakPolarHBondContact OD2-CA 3.45Å; D593-G598 PolarHBondContact OD2-N 3.45Å; G596-G598 VanDerWaalsContact C-N 3.27Å; G596-G598 PolarHBondContact O-N 3.09Å |
| 599 | K | 86.5 | Confident | 84 | Confident | 56 Ų | 56 | 36.9 Ų | 36.9 | 24% | 0.243 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -139.6 | -178.9 | 179.2 | -62.7 | -178.2 | -171.4 | 172.5 | 0 | 109.9 | D553 E555 S597 | D553-K599 IonicContact OD2-NZ 2.71Å; D553-K599 PolarHBondContact OD2-NZ 3.43Å; E555-K599 HydrophobicContact CB-CB 4.04Å; E555-K599 HydrophobicContact CB-CD 3.67Å; E555-K599 HydrophobicContact CG-CD 4.44Å; E555-K599 WeakPolarHBondContact OE2-CD 3.38Å; E555-K599 IonicContact OE2-NZ 2.9Å; E555-K599 PolarHBondContact OE2-NZ 2.98Å; S597-K599 PolarHBondContact O-N 3.26Å; S597-K599 PolarHBondContact OG-N 2.85Å; S597-K599 PolarHBondContact OG-O 3.46Å |
| 600 | L | 86.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -119.1 | 123 | 179.5 | -62.5 | 172.8 | 0 | 0 | 0 | 112.3 | E555 I556 L561 I589 M592 E604 F605 L608 | E555-L600 WeakPolarHBondContact CA-O 3.43Å; I556-L600 HydrophobicContact CB-CB 4.34Å; I556-L600 PolarHBondContact N-O 3.05Å; I556-L600 PolarHBondContact O-N 3.33Å; L561-L600 HydrophobicContact CD1-CD1 4.35Å; L561-L600 HydrophobicContact CD2-CD1 3.96Å; I589-L600 HydrophobicContact CG1-CD1 4.03Å; I589-L600 HydrophobicContact CG1-CD2 4.49Å; I589-L600 HydrophobicContact CG1-CG 4.03Å; M592-L600 HydrophobicContact CB-CD2 3.58Å; L600-E604 HydrophobicContact CD2-CB 4.03Å; L600-F605 HydrophobicContact CB-CB 4.3Å; L600-F605 HydrophobicContact CD1-CD2 4.31Å; L600-L608 HydrophobicContact CD1-CD2 3.62Å |
| 601 | G | 87.1 | Confident | 84.1 | Confident | 19 Ų | 19 | 39 Ų | 39 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | trans | -72.8 | 175.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T603 E604 F605 | G601-T603 PolarHBondContact O-N 2.84Å; G601-E604 PolarHBondContact N-OE2 3.23Å; G601-E604 PolarHBondContact O-N 2.91Å; G601-F605 VanDerWaalsContact O-CB 3.29Å; G601-F605 WeakPolarHBondContact O-CB 3.37Å; G601-F605 PolarHBondContact O-N 2.86Å | ||
| 602 | L | 84.9 | Confident | 84.4 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | -177.2 | 172.3 | 67.1 | 0 | 0 | 0 | 113 | E535 I538 F542 K543 F546 H606 | E535-L602 HydrophobicContact CG-CD2 4.31Å; I538-L602 HydrophobicContact CD1-CD2 4.28Å; I538-L602 HydrophobicContact CD1-CG 3.96Å; F542-L602 HydrophobicContact CD1-CD1 4.28Å; F542-L602 HydrophobicContact CE1-CD1 4.39Å; K543-L602 HydrophobicContact CD-CD2 4.34Å; K543-L602 HydrophobicContact CG-CD1 4.38Å; K543-L602 HydrophobicContact CG-CD2 3.99Å; F546-L602 HydrophobicContact CB-CD1 3.54Å; F546-L602 HydrophobicContact CD1-CB 4.03Å; F546-L602 HydrophobicContact CD1-CD1 3.65Å; F546-L602 HydrophobicContact CD1-CG 4.39Å; F546-L602 HydrophobicContact CD2-CD1 4Å; F546-L602 HydrophobicContact CE1-CB 3.85Å; F546-L602 HydrophobicContact CE1-CD1 4.35Å; F546-L602 HydrophobicContact CE2-CB 4.43Å; F546-L602 HydrophobicContact CG-CB 4.4Å; F546-L602 HydrophobicContact CG-CD1 3.44Å; F546-L602 VanDerWaalsContact CG-CD1 3.44Å; F546-L602 HydrophobicContact CZ-CB 4.07Å; L602-H606 WeakPolarHBondContact O-CB 3.39Å; L602-H606 PolarHBondContact O-N 3.35Å |
| 603 | T | 84.4 | Confident | 84.5 | Confident | 49 Ų | 49 | 42 Ų | 42 | 30% | 0.301 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68.7 | -44.7 | -177.9 | 46.8 | 0 | 0 | 0 | 0 | 111 | L533 E535 I538 G601 H606 V607 | L533-T603 WeakPolarHBondContact O-CG2 3.39Å; E535-T603 HydrophobicContact CG-CG2 4.25Å; I538-T603 HydrophobicContact CD1-CG2 3.98Å; G601-T603 PolarHBondContact O-N 2.84Å; T603-H606 PolarHBondContact O-N 2.77Å; T603-V607 WeakPolarHBondContact O-CG2 3.47Å; T603-V607 PolarHBondContact O-N 2.84Å |
| 604 | E | 86.8 | Confident | 84.9 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 11% | 0.107 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 177.4 | -62.5 | 170.9 | 154.8 | 0 | 0 | 111.1 | M592 V594 L600 G601 H606 V607 L608 | M592-E604 HydrophobicContact CB-CB 4.42Å; M592-E604 HydrophobicContact CE-CB 4.46Å; M592-E604 WeakPolarHBondContact CE-O 3.3Å; M592-E604 WeakPolarHBondContact O-CG 3.4Å; V594-E604 PolarHBondContact N-OE1 3.39Å; L600-E604 HydrophobicContact CD2-CB 4.03Å; G601-E604 PolarHBondContact N-OE2 3.23Å; G601-E604 PolarHBondContact O-N 2.91Å; E604-H606 VanDerWaalsContact C-N 3.29Å; E604-H606 PolarHBondContact O-N 2.89Å; E604-V607 PolarHBondContact O-N 3.43Å; E604-L608 WeakPolarHBondContact O-CB 3.23Å; E604-L608 PolarHBondContact O-N 2.74Å |
| 605 | F | 87.4 | Confident | 85.8 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -36.8 | 176.4 | -178.8 | -109 | 0 | 0 | 0 | 112.4 | F542 F546 I556 L561 I564 L600 G601 L608 W609 | F542-F605 AromaticContact CE1-CD1 3.91Å; F542-F605 HydrophobicContact CE1-CD1 3.91Å; F542-F605 HydrophobicContact CE1-CE1 4.34Å; F542-F605 HydrophobicContact CE2-CE1 4.35Å; F542-F605 AromaticContact CZ-CD1 3.56Å; F542-F605 HydrophobicContact CZ-CD1 3.56Å; F542-F605 AromaticContact CZ-CE1 3.65Å; F542-F605 HydrophobicContact CZ-CE1 3.65Å; F546-F605 HydrophobicContact CD2-CB 4.15Å; F546-F605 AromaticContact CD2-CD1 3.68Å; F546-F605 HydrophobicContact CD2-CD1 3.68Å; F546-F605 HydrophobicContact CD2-CE1 4.44Å; F546-F605 HydrophobicContact CD2-CG 4.15Å; F546-F605 HydrophobicContact CE2-CB 3.89Å; F546-F605 HydrophobicContact CE2-CD1 4.23Å; F546-F605 HydrophobicContact CE2-CG 4.24Å; I556-F605 HydrophobicContact CD1-CB 4.2Å; I556-F605 HydrophobicContact CD1-CD1 3.79Å; I556-F605 HydrophobicContact CD1-CD2 3.54Å; I556-F605 HydrophobicContact CD1-CE1 3.98Å; I556-F605 HydrophobicContact CD1-CE2 3.76Å; I556-F605 HydrophobicContact CD1-CG 3.55Å; I556-F605 HydrophobicContact CD1-CZ 3.97Å; L561-F605 HydrophobicContact CD1-CD2 4.18Å; L561-F605 HydrophobicContact CD1-CE2 3.75Å; I564-F605 HydrophobicContact CG2-CZ 4.32Å; L600-F605 HydrophobicContact CB-CB 4.3Å; L600-F605 HydrophobicContact CD1-CD2 4.31Å; G601-F605 VanDerWaalsContact O-CB 3.29Å; G601-F605 WeakPolarHBondContact O-CB 3.37Å; G601-F605 PolarHBondContact O-N 2.86Å; F605-L608 PolarHBondContact O-N 3.42Å; F605-W609 VanDerWaalsContact O-CB 3.31Å; F605-W609 WeakPolarHBondContact O-CB 3.47Å; F605-W609 PolarHBondContact O-N 2.59Å |
| 606 | H | 85.8 | Confident | 86.5 | Confident | 29 Ų | 29 | 33.8 Ų | 33.8 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 176.6 | -172.4 | 75.5 | 0 | 0 | 0 | 112.2 | L533 I538 F542 L602 T603 E604 L608 W609 E610 | L533-H606 WeakPolarHBondContact CD1-CD2 3.49Å; I538-H606 HydrophobicContact CD1-CB 4.09Å; F542-H606 HydrophobicContact CD1-CB 4.23Å; F542-H606 AromaticContact CD1-ND1 3.32Å; F542-H606 VanDerWaalsContact CD1-ND1 3.32Å; F542-H606 WeakPolarHBondContact CD1-ND1 3.2Å; F542-H606 AromaticContact CD2-ND1 3.92Å; F542-H606 HydrophobicContact CE1-CB 3.57Å; F542-H606 AromaticContact CE1-CG 3.83Å; F542-H606 AromaticContact CE1-ND1 3.3Å; F542-H606 VanDerWaalsContact CE1-ND1 3.3Å; F542-H606 WeakPolarHBondContact CE1-ND1 3.08Å; F542-H606 AromaticContact CE2-ND1 3.91Å; F542-H606 AromaticContact CG-ND1 3.64Å; F542-H606 HydrophobicContact CZ-CB 4.09Å; F542-H606 AromaticContact CZ-ND1 3.6Å; L602-H606 WeakPolarHBondContact O-CB 3.39Å; L602-H606 PolarHBondContact O-N 3.35Å; T603-H606 PolarHBondContact O-N 2.77Å; E604-H606 VanDerWaalsContact C-N 3.29Å; E604-H606 PolarHBondContact O-N 2.89Å; H606-L608 VanDerWaalsContact C-N 3.35Å; H606-W609 WeakPolarHBondContact O-CB 3.38Å; H606-W609 PolarHBondContact O-N 3.14Å; H606-E610 PolarHBondContact O-N 2.86Å; H606-E610 VanDerWaalsContact O-N 3.07Å |
| 607 | V | 86.3 | Confident | 87.1 | Confident | 29 Ų | 29 | 35.1 Ų | 35.1 | 18% | 0.176 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 177.2 | 174 | 0 | 0 | 0 | 0 | 110.7 | L533 M592 T603 E604 W609 E610 K611 | L533-V607 HydrophobicContact CD1-CG2 4.23Å; M592-V607 HydrophobicContact CE-CB 3.6Å; M592-V607 HydrophobicContact CE-CG1 3.54Å; M592-V607 HydrophobicContact SD-CG1 4.21Å; T603-V607 WeakPolarHBondContact O-CG2 3.47Å; T603-V607 PolarHBondContact O-N 2.84Å; E604-V607 PolarHBondContact O-N 3.43Å; V607-W609 VanDerWaalsContact C-N 3.28Å; V607-W609 PolarHBondContact O-N 2.92Å; V607-E610 PolarHBondContact O-N 2.77Å; V607-K611 HydrophobicContact CG1-CD 4.48Å; V607-K611 WeakPolarHBondContact O-CG 3.26Å; V607-K611 PolarHBondContact O-N 3.43Å |
| 608 | L | 88.6 | Confident | 87.6 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.3 | -44 | 174.1 | -177.8 | 59.9 | 0 | 0 | 0 | 111.6 | L561 M588 M592 L600 E604 F605 H606 K611 I612 | L561-L608 HydrophobicContact CD1-CD2 4.19Å; L561-L608 HydrophobicContact CD2-CD2 4.24Å; M588-L608 HydrophobicContact CB-CD1 3.94Å; M588-L608 HydrophobicContact CB-CD2 4Å; M588-L608 HydrophobicContact CG-CD1 4.05Å; M588-L608 HydrophobicContact SD-CD1 4.31Å; M588-L608 HydrophobicContact SD-CD2 4.48Å; M592-L608 HydrophobicContact CG-CB 4.04Å; M592-L608 HydrophobicContact CG-CD1 4.07Å; M592-L608 HydrophobicContact CG-CG 4.47Å; L600-L608 HydrophobicContact CD1-CD2 3.62Å; E604-L608 WeakPolarHBondContact O-CB 3.23Å; E604-L608 PolarHBondContact O-N 2.74Å; F605-L608 PolarHBondContact O-N 3.42Å; H606-L608 VanDerWaalsContact C-N 3.35Å; L608-K611 WeakPolarHBondContact O-CB 3.49Å; L608-K611 PolarHBondContact O-N 3.11Å; L608-I612 HydrophobicContact CD1-CD1 4.24Å; L608-I612 HydrophobicContact CD1-CG1 4.41Å; L608-I612 HydrophobicContact CG-CD1 4.02Å; L608-I612 WeakPolarHBondContact O-CG1 3.46Å; L608-I612 PolarHBondContact O-N 3.22Å |
| 609 | W | 86.8 | Confident | 87.9 | Confident | 38 Ų | 38 | 31 Ų | 31 | 14% | 0.144 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | -178.8 | -174.1 | -116.9 | 0 | 0 | 0 | 112.7 | F542 L565 I568 F605 H606 V607 K611 I612 K613 | F542-W609 HydrophobicContact CE2-CB 4.28Å; F542-W609 AromaticContact CE2-CD1 3.47Å; F542-W609 VanDerWaalsContact CE2-CD1 3.47Å; F542-W609 AromaticContact CE2-CG 3.93Å; F542-W609 HydrophobicContact CE2-CG 3.93Å; F542-W609 HydrophobicContact CZ-CB 4.13Å; F542-W609 HydrophobicContact CZ-CG 4.26Å; L565-W609 HydrophobicContact CD2-CE3 4.29Å; L565-W609 HydrophobicContact CD2-CZ3 3.88Å; I568-W609 HydrophobicContact CB-CH2 4.4Å; I568-W609 HydrophobicContact CD1-CH2 3.34Å; I568-W609 HydrophobicContact CD1-CZ2 4.09Å; I568-W609 HydrophobicContact CD1-CZ3 3.64Å; I568-W609 HydrophobicContact CG1-CH2 4.35Å; I568-W609 HydrophobicContact CG2-CH2 3.84Å; F605-W609 VanDerWaalsContact O-CB 3.31Å; F605-W609 WeakPolarHBondContact O-CB 3.47Å; F605-W609 PolarHBondContact O-N 2.59Å; H606-W609 WeakPolarHBondContact O-CB 3.38Å; H606-W609 PolarHBondContact O-N 3.14Å; V607-W609 VanDerWaalsContact C-N 3.28Å; V607-W609 PolarHBondContact O-N 2.92Å; W609-K611 VanDerWaalsContact C-N 3.33Å; W609-I612 PolarHBondContact O-N 2.81Å; W609-K613 WeakPolarHBondContact O-CG 3.29Å; W609-K613 PolarHBondContact O-N 3.46Å |
| 610 | E | 87.1 | Confident | 88 | Confident | 82 Ų | 82 | 33.2 Ų | 33.2 | 38% | 0.383 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.2 | -35.5 | 175.7 | -67.6 | -54.9 | 128.4 | 0 | 0 | 112 | H606 V607 K613 R614 | H606-E610 PolarHBondContact O-N 2.86Å; H606-E610 VanDerWaalsContact O-N 3.07Å; V607-E610 PolarHBondContact O-N 2.77Å; E610-K613 PolarHBondContact O-N 2.92Å; E610-K613 IonicContact OE1-NZ 2.69Å; E610-K613 PolarHBondContact OE1-NZ 3.17Å; E610-K613 IonicContact OE2-NZ 3.85Å; E610-R614 PolarHBondContact O-N 2.89Å |
| 611 | K | 88.9 | Confident | 88.1 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 10% | 0.1 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -48.8 | 171.6 | -72.5 | 177.1 | -173 | -82.5 | 0 | 111.7 | E530 M592 V607 L608 W609 K613 R614 Y615 E678 | E530-K611 WeakPolarHBondContact OE1-CE 3.45Å; E530-K611 IonicContact OE1-NZ 3.07Å; E530-K611 PolarHBondContact OE1-NZ 3.07Å; M592-K611 HydrophobicContact SD-CD 4.33Å; V607-K611 HydrophobicContact CG1-CD 4.48Å; V607-K611 WeakPolarHBondContact O-CG 3.26Å; V607-K611 PolarHBondContact O-N 3.43Å; L608-K611 WeakPolarHBondContact O-CB 3.49Å; L608-K611 PolarHBondContact O-N 3.11Å; W609-K611 VanDerWaalsContact C-N 3.33Å; K611-K613 VanDerWaalsContact C-N 3.31Å; K611-K613 PolarHBondContact O-N 2.8Å; K611-R614 WeakPolarHBondContact O-CB 3.26Å; K611-R614 PolarHBondContact O-N 3.17Å; K611-R614 VanDerWaalsContact O-N 3.1Å; K611-Y615 HydrophobicContact CB-CE2 4.11Å; K611-Y615 WeakPolarHBondContact O-CD2 3.26Å; K611-Y615 VanDerWaalsContact O-CG 3.25Å; K611-Y615 PolarHBondContact O-N 3.44Å; K611-E678 IonicContact NZ-OE1 3.28Å; K611-E678 PolarHBondContact NZ-OE1 2.91Å; K611-E678 IonicContact NZ-OE2 2.77Å; K611-E678 PolarHBondContact NZ-OE2 3.45Å |
| 612 | I | 89.2 | Confident | 88.1 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.2 | -41.5 | 178.8 | -68 | 171.1 | 0 | 0 | 0 | 111 | L565 M588 L608 W609 R614 Y615 L616 | L565-I612 HydrophobicContact CD1-CD1 4.16Å; L565-I612 HydrophobicContact CD2-CD1 3.72Å; M588-I612 HydrophobicContact SD-CD1 3.99Å; L608-I612 HydrophobicContact CD1-CD1 4.24Å; L608-I612 HydrophobicContact CD1-CG1 4.41Å; L608-I612 HydrophobicContact CG-CD1 4.02Å; L608-I612 WeakPolarHBondContact O-CG1 3.46Å; L608-I612 PolarHBondContact O-N 3.22Å; W609-I612 PolarHBondContact O-N 2.81Å; I612-R614 PolarHBondContact O-N 3.25Å; I612-Y615 PolarHBondContact O-N 3.31Å; I612-L616 WeakPolarHBondContact O-CB 3.39Å; I612-L616 PolarHBondContact O-N 3.29Å |
| 613 | K | 88 | Confident | 88.1 | Confident | 84 Ų | 84 | 39.4 Ų | 39.4 | 37% | 0.365 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 174 | -74.9 | -179.1 | -172.3 | 162.8 | 0 | 112.3 | W609 E610 K611 L616 T617 | W609-K613 WeakPolarHBondContact O-CG 3.29Å; W609-K613 PolarHBondContact O-N 3.46Å; E610-K613 PolarHBondContact O-N 2.92Å; E610-K613 IonicContact OE1-NZ 2.69Å; E610-K613 PolarHBondContact OE1-NZ 3.17Å; E610-K613 IonicContact OE2-NZ 3.85Å; K611-K613 VanDerWaalsContact C-N 3.31Å; K611-K613 PolarHBondContact O-N 2.8Å; K613-L616 PolarHBondContact O-N 2.69Å; K613-T617 PolarHBondContact O-N 2.84Å; K613-T617 PolarHBondContact O-OG1 2.79Å; K613-T617 VanDerWaalsContact O-OG1 3.11Å |
| 614 | R | 89.7 | Confident | 87.8 | Confident | 74 Ų | 74 | 42.5 Ų | 42.5 | 28% | 0.279 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 176.7 | 177.7 | -179.9 | 163.3 | -140.4 | -6.7 | 110.8 | E610 K611 I612 L616 T617 I618 A642 | E610-R614 PolarHBondContact O-N 2.89Å; K611-R614 WeakPolarHBondContact O-CB 3.26Å; K611-R614 PolarHBondContact O-N 3.17Å; K611-R614 VanDerWaalsContact O-N 3.1Å; I612-R614 PolarHBondContact O-N 3.25Å; R614-L616 VanDerWaalsContact C-N 3.32Å; R614-L616 PolarHBondContact O-N 3.11Å; R614-T617 WeakPolarHBondContact O-CB 3.43Å; R614-T617 PolarHBondContact O-N 3.34Å; R614-I618 HydrophobicContact CG-CD1 4.08Å; R614-I618 WeakPolarHBondContact O-CG1 3.47Å; R614-I618 PolarHBondContact O-N 2.85Å; R614-A642 PolarHBondContact NH2-O 2.77Å |
| 615 | Y | 91.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 177 | -58.6 | -29.2 | 0 | 0 | 0 | 112.1 | K611 I612 T617 I618 F619 V671 L674 V675 E678 | K611-Y615 HydrophobicContact CB-CE2 4.11Å; K611-Y615 WeakPolarHBondContact O-CD2 3.26Å; K611-Y615 VanDerWaalsContact O-CG 3.25Å; K611-Y615 PolarHBondContact O-N 3.44Å; I612-Y615 PolarHBondContact O-N 3.31Å; Y615-T617 VanDerWaalsContact C-N 3.34Å; Y615-T617 PolarHBondContact O-N 2.86Å; Y615-I618 PolarHBondContact O-N 3.07Å; Y615-F619 WeakPolarHBondContact O-CB 3.43Å; Y615-F619 PolarHBondContact O-N 2.72Å; Y615-V671 HydrophobicContact CD2-CG1 4.08Å; Y615-V671 HydrophobicContact CD2-CG2 4.32Å; Y615-L674 HydrophobicContact CD1-CD1 3.49Å; Y615-L674 VanDerWaalsContact CD1-CD1 3.49Å; Y615-L674 HydrophobicContact CD2-CD1 4.31Å; Y615-L674 HydrophobicContact CE1-CB 4.3Å; Y615-L674 HydrophobicContact CE1-CD1 3.73Å; Y615-L674 HydrophobicContact CE2-CB 4.26Å; Y615-L674 HydrophobicContact CE2-CD1 4.5Å; Y615-L674 HydrophobicContact CG-CD1 3.81Å; Y615-V675 HydrophobicContact CE2-CG2 4.21Å; Y615-E678 PolarHBondContact OH-OE2 3.43Å; Y615-E678 VanDerWaalsContact OH-OE2 3.09Å |
| 616 | L | 89.9 | Confident | 87.1 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 174 | -178.8 | 60.3 | 0 | 0 | 0 | 112.4 | L575 I612 K613 R614 R620 F667 | L575-L616 HydrophobicContact CD1-CD1 3.72Å; L575-L616 HydrophobicContact CD2-CD1 4.24Å; L575-L616 HydrophobicContact CG-CD1 4.46Å; I612-L616 WeakPolarHBondContact O-CB 3.39Å; I612-L616 PolarHBondContact O-N 3.29Å; K613-L616 PolarHBondContact O-N 2.69Å; R614-L616 VanDerWaalsContact C-N 3.32Å; R614-L616 PolarHBondContact O-N 3.11Å; L616-R620 WeakPolarHBondContact O-CG 3.29Å; L616-R620 PolarHBondContact O-N 2.97Å; L616-R620 VanDerWaalsContact O-N 3.08Å; L616-F667 HydrophobicContact CB-CE2 4.12Å; L616-F667 HydrophobicContact CB-CZ 3.78Å; L616-F667 HydrophobicContact CD1-CD2 4.48Å; L616-F667 HydrophobicContact CD1-CE1 4.37Å; L616-F667 HydrophobicContact CD1-CE2 3.99Å; L616-F667 HydrophobicContact CD1-CZ 3.93Å; L616-F667 HydrophobicContact CG-CZ 4.43Å |
| 617 | T | 90.6 | Very high | 87 | Confident | 91 Ų | 91 | 55.8 Ų | 55.8 | 56% | 0.558 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | 175.2 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | K613 R614 Y615 R620 E621 | K613-T617 PolarHBondContact O-N 2.84Å; K613-T617 PolarHBondContact O-OG1 2.79Å; K613-T617 VanDerWaalsContact O-OG1 3.11Å; R614-T617 WeakPolarHBondContact O-CB 3.43Å; R614-T617 PolarHBondContact O-N 3.34Å; Y615-T617 VanDerWaalsContact C-N 3.34Å; Y615-T617 PolarHBondContact O-N 2.86Å; T617-R620 PolarHBondContact O-N 3.42Å; T617-E621 WeakPolarHBondContact O-CB 3.34Å; T617-E621 PolarHBondContact O-N 3.49Å |
| 618 | I | 91.1 | Very high | 86.8 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 177.1 | -65.7 | 168.1 | 0 | 0 | 0 | 110 | R614 Y615 R620 E621 F622 A638 A642 F670 | R614-I618 HydrophobicContact CG-CD1 4.08Å; R614-I618 WeakPolarHBondContact O-CG1 3.47Å; R614-I618 PolarHBondContact O-N 2.85Å; Y615-I618 PolarHBondContact O-N 3.07Å; I618-R620 VanDerWaalsContact C-N 3.31Å; I618-R620 PolarHBondContact O-N 3.47Å; I618-E621 WeakPolarHBondContact O-CB 3.21Å; I618-E621 PolarHBondContact O-N 3.09Å; I618-E621 VanDerWaalsContact O-N 3.08Å; I618-F622 HydrophobicContact CG2-CD2 3.8Å; I618-F622 HydrophobicContact CG2-CE2 4.1Å; I618-F622 VanDerWaalsContact O-CD2 3.3Å; I618-F622 WeakPolarHBondContact O-CD2 3.23Å; I618-F622 PolarHBondContact O-N 3.45Å; I618-A638 HydrophobicContact CG2-CB 3.98Å; I618-A642 HydrophobicContact CD1-CB 4.07Å; I618-F670 HydrophobicContact CG2-CZ 4.14Å |
| 619 | F | 89.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.1 | -47 | 179 | -171.2 | -80.1 | 0 | 0 | 0 | 111.5 | L575 Y615 E621 F622 D623 M630 F667 F670 | L575-F619 HydrophobicContact CD2-CD1 3.73Å; L575-F619 HydrophobicContact CD2-CE1 3.61Å; L575-F619 HydrophobicContact CD2-CZ 4.48Å; Y615-F619 WeakPolarHBondContact O-CB 3.43Å; Y615-F619 PolarHBondContact O-N 2.72Å; F619-E621 VanDerWaalsContact C-N 3.33Å; F619-E621 PolarHBondContact O-N 3.37Å; F619-F622 PolarHBondContact O-N 3.18Å; F619-D623 HydrophobicContact CD1-CB 4.49Å; F619-D623 HydrophobicContact CE1-CB 4.42Å; F619-D623 WeakPolarHBondContact O-CB 3.24Å; F619-D623 PolarHBondContact O-N 3.18Å; F619-M630 HydrophobicContact CD2-CE 3.18Å; F619-M630 HydrophobicContact CD2-CG 3.95Å; F619-M630 HydrophobicContact CD2-SD 3.7Å; F619-M630 HydrophobicContact CE1-CG 4.41Å; F619-M630 HydrophobicContact CE2-CB 4.39Å; F619-M630 HydrophobicContact CE2-CE 3.41Å; F619-M630 VanDerWaalsContact CE2-CE 3.41Å; F619-M630 HydrophobicContact CE2-CG 3.69Å; F619-M630 HydrophobicContact CE2-SD 4.03Å; F619-M630 HydrophobicContact CG-CE 4.18Å; F619-M630 HydrophobicContact CG-CG 4.45Å; F619-M630 HydrophobicContact CG-SD 4.18Å; F619-M630 HydrophobicContact CZ-CG 3.94Å; F619-F667 HydrophobicContact CB-CD2 3.98Å; F619-F667 HydrophobicContact CB-CE2 4.02Å; F619-F667 HydrophobicContact CD1-CD2 4.34Å; F619-F667 HydrophobicContact CD2-CB 4.49Å; F619-F667 AromaticContact CD2-CD2 3.59Å; F619-F667 HydrophobicContact CD2-CD2 3.59Å; F619-F667 HydrophobicContact CD2-CE2 4.37Å; F619-F667 HydrophobicContact CE2-CB 4.14Å; F619-F667 HydrophobicContact CE2-CD2 4.1Å; F619-F667 AromaticContact CG-CD2 3.72Å; F619-F667 HydrophobicContact CG-CD2 3.72Å; F619-F667 HydrophobicContact CG-CE2 4.27Å; F619-F667 HydrophobicContact CZ-CB 4.32Å; F619-F670 HydrophobicContact CB-CD1 4.28Å; F619-F670 HydrophobicContact CB-CE1 4.11Å; F619-F670 HydrophobicContact CD2-CB 4.14Å; F619-F670 AromaticContact CD2-CD1 3.69Å; F619-F670 HydrophobicContact CD2-CD1 3.69Å; F619-F670 HydrophobicContact CD2-CE1 4.24Å; F619-F670 HydrophobicContact CD2-CG 4Å; F619-F670 HydrophobicContact CE2-CB 4.25Å; F619-F670 HydrophobicContact CG-CD1 4.48Å |
| 620 | R | 88.8 | Confident | 86.8 | Confident | 102 Ų | 102 | 53.4 Ų | 53.4 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.5 | -29.7 | 178.2 | -75.9 | 179.9 | 170.2 | 139.9 | 7.1 | 114.3 | H572 D574 L616 T617 I618 F622 | H572-R620 PolarHBondContact ND1-NH2 3.45Å; D574-R620 IonicContact OD1-NH2 2.79Å; D574-R620 PolarHBondContact OD1-NH2 3.34Å; D574-R620 IonicContact OD2-CZ 2.79Å; D574-R620 IonicContact OD2-NE 3.28Å; D574-R620 PolarHBondContact OD2-NE 2.93Å; D574-R620 IonicContact OD2-NH2 2.63Å; D574-R620 PolarHBondContact OD2-NH2 3.05Å; L616-R620 WeakPolarHBondContact O-CG 3.29Å; L616-R620 PolarHBondContact O-N 2.97Å; L616-R620 VanDerWaalsContact O-N 3.08Å; T617-R620 PolarHBondContact O-N 3.42Å; I618-R620 VanDerWaalsContact C-N 3.31Å; I618-R620 PolarHBondContact O-N 3.47Å; R620-F622 VanDerWaalsContact C-N 3.34Å |
| 621 | E | 89.2 | Confident | 86.6 | Confident | 116 Ų | 116 | 51 Ų | 51 | 54% | 0.542 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.7 | -36.4 | 177.1 | -175.1 | 178.1 | -174.1 | 0 | 0 | 111.1 | T617 I618 F619 | T617-E621 WeakPolarHBondContact O-CB 3.34Å; T617-E621 PolarHBondContact O-N 3.49Å; I618-E621 WeakPolarHBondContact O-CB 3.21Å; I618-E621 PolarHBondContact O-N 3.09Å; I618-E621 VanDerWaalsContact O-N 3.08Å; F619-E621 VanDerWaalsContact C-N 3.33Å; F619-E621 PolarHBondContact O-N 3.37Å |
| 622 | F | 86.6 | Confident | 86.2 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -101.7 | -8 | -175.8 | -68.6 | -76.1 | 0 | 0 | 0 | 115 | I618 F619 R620 L624 E634 M637 A638 S641 | I618-F622 HydrophobicContact CG2-CD2 3.8Å; I618-F622 HydrophobicContact CG2-CE2 4.1Å; I618-F622 VanDerWaalsContact O-CD2 3.3Å; I618-F622 WeakPolarHBondContact O-CD2 3.23Å; I618-F622 PolarHBondContact O-N 3.45Å; F619-F622 PolarHBondContact O-N 3.18Å; R620-F622 VanDerWaalsContact C-N 3.34Å; F622-L624 PolarHBondContact O-N 3.3Å; F622-E634 HydrophobicContact CB-CB 4.47Å; F622-E634 VanDerWaalsContact O-CB 3.29Å; F622-E634 WeakPolarHBondContact O-CB 3.21Å; F622-E634 WeakPolarHBondContact O-CG 3.45Å; F622-E634 VanDerWaalsContact O-OE1 3.06Å; F622-M637 HydrophobicContact CD1-CB 3.73Å; F622-M637 HydrophobicContact CD1-CE 3.88Å; F622-M637 HydrophobicContact CE1-CB 3.65Å; F622-M637 HydrophobicContact CE1-CE 4.33Å; F622-M637 HydrophobicContact CZ-CB 4.48Å; F622-A638 HydrophobicContact CB-CB 4.24Å; F622-A638 HydrophobicContact CD2-CB 4.11Å; F622-A638 HydrophobicContact CG-CB 4.25Å; F622-S641 VanDerWaalsContact CE2-CB 3.41Å |
| 623 | D | 84.9 | Confident | 85.7 | Confident | 18 Ų | 18 | 53 Ų | 53 | 10% | 0.096 | 26% | 0.259 | C | S | . | . | trans | -73.4 | 73 | 163.4 | 179.7 | 14.4 | 0 | 0 | 0 | 109.5 | F619 D625 K626 S627 G628 | F619-D623 HydrophobicContact CD1-CB 4.49Å; F619-D623 HydrophobicContact CE1-CB 4.42Å; F619-D623 WeakPolarHBondContact O-CB 3.24Å; F619-D623 PolarHBondContact O-N 3.18Å; D623-D625 VanDerWaalsContact C-N 3.3Å; D623-D625 PolarHBondContact O-N 2.83Å; D623-K626 PolarHBondContact O-N 2.73Å; D623-K626 VanDerWaalsContact OD1-CA 3.24Å; D623-K626 WeakPolarHBondContact OD1-CA 3.44Å; D623-K626 PolarHBondContact OD1-N 2.73Å; D623-S627 PolarHBondContact OD1-N 3.26Å; D623-S627 PolarHBondContact OD1-OG 2.8Å; D623-G628 WeakPolarHBondContact OD2-CA 3.44Å; D623-G628 PolarHBondContact OD2-N 3.29Å | ||
| 624 | L | 76.6 | Confident | 85.5 | Confident | 115 Ų | 115 | 49.6 Ų | 49.6 | 60% | 0.602 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -31.4 | -170.1 | -63.8 | 177.6 | 0 | 0 | 0 | 111.6 | F622 K626 E634 M637 | F622-L624 PolarHBondContact O-N 3.3Å; L624-K626 VanDerWaalsContact C-N 3.33Å; L624-E634 PolarHBondContact N-OE1 2.83Å; L624-M637 HydrophobicContact CD1-CE 4.23Å |
| 625 | D | 78.9 | Confident | 85.5 | Confident | 107 Ų | 107 | 46.1 Ų | 46.1 | 57% | 0.572 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.4 | 178.3 | 73.2 | -0.1 | 0 | 0 | 0 | 113.4 | D623 S627 | D623-D625 VanDerWaalsContact C-N 3.3Å; D623-D625 PolarHBondContact O-N 2.83Å; D625-S627 PolarHBondContact O-N 2.82Å; D625-S627 WeakPolarHBondContact OD1-CB 3.39Å; D625-S627 PolarHBondContact OD1-N 3.05Å; D625-S627 PolarHBondContact OD1-OG 3.29Å |
| 626 | K | 81.4 | Confident | 85.2 | Confident | 180 Ų | 180 | 46.4 Ų | 46.4 | 78% | 0.783 | 23% | 0.232 | S | C | * | . | trans | 57.3 | 34.7 | -179.3 | -54.7 | -177.3 | -179.8 | -179.1 | 0 | 111.9 | D623 L624 G628 | D623-K626 PolarHBondContact O-N 2.73Å; D623-K626 VanDerWaalsContact OD1-CA 3.24Å; D623-K626 WeakPolarHBondContact OD1-CA 3.44Å; D623-K626 PolarHBondContact OD1-N 2.73Å; L624-K626 VanDerWaalsContact C-N 3.33Å; K626-G628 PolarHBondContact O-N 3.31Å | ||
| 627 | S | 83.4 | Confident | 85 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 34% | 0.343 | 24% | 0.243 | S | C | . | . | trans | -73.1 | -16.1 | 177.9 | 62 | 0 | 0 | 0 | 0 | 112.2 | D623 D625 T629 | D623-S627 PolarHBondContact OD1-N 3.26Å; D623-S627 PolarHBondContact OD1-OG 2.8Å; D625-S627 PolarHBondContact O-N 2.82Å; D625-S627 WeakPolarHBondContact OD1-CB 3.39Å; D625-S627 PolarHBondContact OD1-N 3.05Å; D625-S627 PolarHBondContact OD1-OG 3.29Å; S627-T629 PolarHBondContact OG-N 3.48Å; S627-T629 PolarHBondContact OG-O 2.86Å; S627-T629 PolarHBondContact OG-OG1 3.47Å | ||
| 628 | G | 83.1 | Confident | 85 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 77.6 | 9.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D574 K576 D623 K626 | D574-G628 WeakPolarHBondContact O-CA 3.39Å; K576-G628 PolarHBondContact N-O 3.12Å; D623-G628 WeakPolarHBondContact OD2-CA 3.44Å; D623-G628 PolarHBondContact OD2-N 3.29Å; K626-G628 PolarHBondContact O-N 3.31Å |
| 629 | T | 87 | Confident | 84.9 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -137.3 | 159.7 | 176.4 | 51.7 | 0 | 0 | 0 | 0 | 108.9 | K576 S627 A664 | K576-T629 HydrophobicContact CB-CG2 3.98Å; K576-T629 HydrophobicContact CD-CG2 4.04Å; K576-T629 HydrophobicContact CG-CG2 4.43Å; S627-T629 PolarHBondContact OG-N 3.48Å; S627-T629 PolarHBondContact OG-O 2.86Å; S627-T629 PolarHBondContact OG-OG1 3.47Å; T629-A664 HydrophobicContact CG2-CB 4.37Å |
| 630 | M | 86.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.8 | 173.2 | -73.2 | -170.7 | -60.2 | 0 | 0 | 111 | F619 E634 M635 A638 I665 F670 | F619-M630 HydrophobicContact CD2-CE 3.18Å; F619-M630 HydrophobicContact CD2-CG 3.95Å; F619-M630 HydrophobicContact CD2-SD 3.7Å; F619-M630 HydrophobicContact CE1-CG 4.41Å; F619-M630 HydrophobicContact CE2-CB 4.39Å; F619-M630 HydrophobicContact CE2-CE 3.41Å; F619-M630 VanDerWaalsContact CE2-CE 3.41Å; F619-M630 HydrophobicContact CE2-CG 3.69Å; F619-M630 HydrophobicContact CE2-SD 4.03Å; F619-M630 HydrophobicContact CG-CE 4.18Å; F619-M630 HydrophobicContact CG-CG 4.45Å; F619-M630 HydrophobicContact CG-SD 4.18Å; F619-M630 HydrophobicContact CZ-CG 3.94Å; M630-E634 HydrophobicContact CB-CB 4.25Å; M630-E634 HydrophobicContact CG-CB 4.33Å; M630-M635 HydrophobicContact CE-SD 4.21Å; M630-A638 HydrophobicContact SD-CB 4.09Å; M630-I665 HydrophobicContact CB-CB 4.47Å; M630-I665 PolarHBondContact N-O 3.12Å; M630-I665 PolarHBondContact O-N 2.9Å; M630-F670 HydrophobicContact CE-CB 3.73Å; M630-F670 HydrophobicContact CE-CD1 3.86Å; M630-F670 HydrophobicContact CE-CD2 3.12Å; M630-F670 HydrophobicContact CE-CE1 4.16Å; M630-F670 HydrophobicContact CE-CE2 3.48Å; M630-F670 VanDerWaalsContact CE-CE2 3.48Å; M630-F670 HydrophobicContact CE-CG 3.29Å; M630-F670 HydrophobicContact CE-CZ 3.96Å |
| 631 | S | 84.7 | Confident | 84.8 | Confident | 32 Ų | 32 | 44.7 Ų | 44.7 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 162.3 | 162.1 | 67.3 | 0 | 0 | 0 | 0 | 110.4 | Y633 E634 M635 | S631-Y633 PolarHBondContact O-N 2.99Å; S631-Y633 VanDerWaalsContact O-N 3.13Å; S631-Y633 PolarHBondContact OG-N 3.07Å; S631-E634 WeakPolarHBondContact CB-OE2 3.39Å; S631-E634 PolarHBondContact N-OE2 3.06Å; S631-E634 PolarHBondContact O-N 2.82Å; S631-E634 WeakPolarHBondContact OG-CG 3.47Å; S631-E634 PolarHBondContact OG-N 2.9Å; S631-E634 PolarHBondContact OG-OE2 2.87Å; S631-M635 PolarHBondContact O-N 2.73Å |
| 632 | S | 79.5 | Confident | 84.8 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.2 | -31.9 | 170.9 | 55 | 0 | 0 | 0 | 0 | 114 | G378 M635 R636 F651 | G378-S632 WeakPolarHBondContact CA-OG 3.31Å; G378-S632 WeakPolarHBondContact O-CB 3.41Å; G378-S632 PolarHBondContact O-OG 3.16Å; S632-M635 PolarHBondContact O-N 2.85Å; S632-R636 PolarHBondContact O-N 3.23Å; S632-F651 VanDerWaalsContact O-CZ 3.3Å; S632-F651 WeakPolarHBondContact O-CZ 3.27Å |
| 633 | Y | 78 | Confident | 84.9 | Confident | 63 Ų | 63 | 38.2 Ų | 38.2 | 25% | 0.247 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.5 | -42.6 | -177.5 | -46 | -49.4 | 0 | 0 | 0 | 111 | T390 L393 S631 M635 R636 | T390-Y633 HydrophobicContact CG2-CD1 4.48Å; T390-Y633 HydrophobicContact CG2-CE1 3.75Å; T390-Y633 HydrophobicContact CG2-CE2 3.89Å; T390-Y633 WeakPolarHBondContact CG2-OH 3.38Å; L393-Y633 HydrophobicContact CD1-CD1 3.06Å; L393-Y633 HydrophobicContact CD1-CE1 3.19Å; L393-Y633 HydrophobicContact CD1-CG 4.17Å; L393-Y633 HydrophobicContact CD2-CD1 4.48Å; L393-Y633 HydrophobicContact CG-CD1 4.35Å; S631-Y633 PolarHBondContact O-N 2.99Å; S631-Y633 VanDerWaalsContact O-N 3.13Å; S631-Y633 PolarHBondContact OG-N 3.07Å; Y633-M635 VanDerWaalsContact C-N 3.35Å; Y633-R636 PolarHBondContact O-N 2.9Å |
| 634 | E | 85.5 | Confident | 85.1 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.6 | -38.5 | 176.8 | -66.3 | 162.2 | 142.7 | 0 | 0 | 110.2 | F622 L624 M630 S631 R636 M637 A638 | F622-E634 HydrophobicContact CB-CB 4.47Å; F622-E634 VanDerWaalsContact O-CB 3.29Å; F622-E634 WeakPolarHBondContact O-CB 3.21Å; F622-E634 WeakPolarHBondContact O-CG 3.45Å; F622-E634 VanDerWaalsContact O-OE1 3.06Å; L624-E634 PolarHBondContact N-OE1 2.83Å; M630-E634 HydrophobicContact CB-CB 4.25Å; M630-E634 HydrophobicContact CG-CB 4.33Å; S631-E634 WeakPolarHBondContact CB-OE2 3.39Å; S631-E634 PolarHBondContact N-OE2 3.06Å; S631-E634 PolarHBondContact O-N 2.82Å; S631-E634 WeakPolarHBondContact OG-CG 3.47Å; S631-E634 PolarHBondContact OG-N 2.9Å; S631-E634 PolarHBondContact OG-OE2 2.87Å; E634-R636 VanDerWaalsContact C-N 3.34Å; E634-R636 PolarHBondContact O-N 2.79Å; E634-M637 PolarHBondContact O-N 2.83Å; E634-A638 VanDerWaalsContact O-CB 3.27Å; E634-A638 WeakPolarHBondContact O-CB 3.36Å; E634-A638 PolarHBondContact O-N 2.79Å |
| 635 | M | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.8 | -42.8 | 175.5 | -176.3 | 58.6 | 173.4 | 0 | 0 | 113.1 | M630 S631 S632 Y633 M637 A638 L639 F651 I654 I655 I665 F670 C673 | M630-M635 HydrophobicContact CE-SD 4.21Å; S631-M635 PolarHBondContact O-N 2.73Å; S632-M635 PolarHBondContact O-N 2.85Å; Y633-M635 VanDerWaalsContact C-N 3.35Å; M635-M637 VanDerWaalsContact C-N 3.35Å; M635-M637 PolarHBondContact O-N 2.78Å; M635-A638 PolarHBondContact O-N 2.96Å; M635-L639 HydrophobicContact CE-CD1 4.02Å; M635-L639 HydrophobicContact CE-CD2 3.95Å; M635-L639 HydrophobicContact CE-CG 3.95Å; M635-L639 HydrophobicContact CG-CD1 4.2Å; M635-L639 WeakPolarHBondContact O-CG 3.47Å; M635-L639 PolarHBondContact O-N 3.19Å; M635-L639 HydrophobicContact SD-CD1 4.48Å; M635-L639 HydrophobicContact SD-CG 4.26Å; M635-F651 HydrophobicContact CB-CE2 4.45Å; M635-F651 HydrophobicContact CB-CZ 4.48Å; M635-F651 HydrophobicContact CG-CE2 4.13Å; M635-I654 HydrophobicContact CE-CG2 3.88Å; M635-I655 HydrophobicContact CG-CD1 4.34Å; M635-I665 HydrophobicContact CB-CD1 3.78Å; M635-I665 HydrophobicContact CE-CD1 4.5Å; M635-I665 HydrophobicContact CG-CD1 3.55Å; M635-I665 HydrophobicContact SD-CD1 4.05Å; M635-F670 HydrophobicContact CE-CD2 3.84Å; M635-F670 HydrophobicContact CE-CE2 4.26Å; M635-F670 HydrophobicContact SD-CD2 3.45Å; M635-F670 WeakPolarHBondContact SD-CD2 3.48Å; M635-F670 HydrophobicContact SD-CE2 3.7Å; M635-C673 HydrophobicContact CE-CB 4.12Å |
| 636 | R | 86.4 | Confident | 86 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 179.1 | -168 | 169.1 | -176.8 | 154.7 | 3.7 | 111.6 | D520 D521 S632 Y633 E634 E640 N648 F651 | D520-R636 IonicContact OD1-NH2 2.66Å; D521-R636 IonicContact OD2-NH2 2.69Å; D521-R636 PolarHBondContact OD2-NH2 2.84Å; S632-R636 PolarHBondContact O-N 3.23Å; Y633-R636 PolarHBondContact O-N 2.9Å; E634-R636 VanDerWaalsContact C-N 3.34Å; E634-R636 PolarHBondContact O-N 2.79Å; R636-E640 PolarHBondContact O-N 2.75Å; R636-N648 PolarHBondContact NH1-OD1 2.76Å; R636-N648 PolarHBondContact NH2-OD1 2.75Å; R636-F651 HydrophobicContact CB-CD2 4.37Å; R636-F651 HydrophobicContact CB-CE1 4.26Å; R636-F651 HydrophobicContact CB-CE2 3.66Å; R636-F651 HydrophobicContact CB-CZ 3.62Å; R636-F651 HydrophobicContact CG-CD2 4.33Å; R636-F651 HydrophobicContact CG-CE2 4.11Å; R636-F651 HydrophobicContact CG-CZ 4.29Å |
| 637 | M | 85.1 | Confident | 86.3 | Confident | 64 Ų | 64 | 25.7 Ų | 25.7 | 32% | 0.315 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -70.2 | -38.4 | 177.9 | -58.2 | -167.4 | -63.7 | 0 | 0 | 111.9 | F622 L624 E634 M635 L639 E640 S641 | F622-M637 HydrophobicContact CD1-CB 3.73Å; F622-M637 HydrophobicContact CD1-CE 3.88Å; F622-M637 HydrophobicContact CE1-CB 3.65Å; F622-M637 HydrophobicContact CE1-CE 4.33Å; F622-M637 HydrophobicContact CZ-CB 4.48Å; L624-M637 HydrophobicContact CD1-CE 4.23Å; E634-M637 PolarHBondContact O-N 2.83Å; M635-M637 VanDerWaalsContact C-N 3.35Å; M635-M637 PolarHBondContact O-N 2.78Å; M637-L639 VanDerWaalsContact C-N 3.34Å; M637-L639 PolarHBondContact O-N 2.99Å; M637-E640 PolarHBondContact O-N 2.88Å; M637-S641 PolarHBondContact O-N 3.06Å |
| 638 | A | 90.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.2 | -39.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I618 F622 M630 E634 M635 S641 A642 F670 | I618-A638 HydrophobicContact CG2-CB 3.98Å; F622-A638 HydrophobicContact CB-CB 4.24Å; F622-A638 HydrophobicContact CD2-CB 4.11Å; F622-A638 HydrophobicContact CG-CB 4.25Å; M630-A638 HydrophobicContact SD-CB 4.09Å; E634-A638 VanDerWaalsContact O-CB 3.27Å; E634-A638 WeakPolarHBondContact O-CB 3.36Å; E634-A638 PolarHBondContact O-N 2.79Å; M635-A638 PolarHBondContact O-N 2.96Å; A638-S641 PolarHBondContact O-N 2.81Å; A638-A642 VanDerWaalsContact O-CB 3.3Å; A638-A642 WeakPolarHBondContact O-CB 3.39Å; A638-A642 PolarHBondContact O-N 3.17Å; A638-F670 HydrophobicContact CB-CE2 3.92Å; A638-F670 HydrophobicContact CB-CZ 4.05Å |
| 639 | L | 90.3 | Very high | 86.3 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 173.7 | -75 | 166.3 | 0 | 0 | 0 | 111.7 | M635 M637 S641 A642 G643 F644 L646 F651 I654 L674 L677 | M635-L639 HydrophobicContact CE-CD1 4.02Å; M635-L639 HydrophobicContact CE-CD2 3.95Å; M635-L639 HydrophobicContact CE-CG 3.95Å; M635-L639 HydrophobicContact CG-CD1 4.2Å; M635-L639 WeakPolarHBondContact O-CG 3.47Å; M635-L639 PolarHBondContact O-N 3.19Å; M635-L639 HydrophobicContact SD-CD1 4.48Å; M635-L639 HydrophobicContact SD-CG 4.26Å; M637-L639 VanDerWaalsContact C-N 3.34Å; M637-L639 PolarHBondContact O-N 2.99Å; L639-S641 PolarHBondContact O-N 3Å; L639-A642 CarbonylContact O-C 3.57Å; L639-A642 WeakPolarHBondContact O-CB 3.26Å; L639-A642 PolarHBondContact O-N 3.02Å; L639-G643 PolarHBondContact O-N 3Å; L639-G643 VanDerWaalsContact O-N 3.11Å; L639-F644 CarbonylContact C-O 3.58Å; L639-F644 VanDerWaalsContact C-O 3.26Å; L639-F644 HydrophobicContact CB-CB 4.47Å; L639-F644 HydrophobicContact CD2-CD2 4.48Å; L639-F644 PolarHBondContact O-N 2.92Å; L639-L646 HydrophobicContact CD1-CD1 4.21Å; L639-F651 HydrophobicContact CD1-CD2 3.88Å; L639-F651 HydrophobicContact CD1-CE2 3.87Å; L639-I654 HydrophobicContact CD1-CD1 4.14Å; L639-L674 HydrophobicContact CD2-CD2 3.5Å; L639-L677 HydrophobicContact CD2-CD2 4.24Å |
| 640 | E | 87.7 | Confident | 86.3 | Confident | 60 Ų | 60 | 28.7 Ų | 28.7 | 28% | 0.28 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 176.9 | -73.1 | -179.9 | -160.6 | 0 | 0 | 111.7 | K456 R636 M637 A642 G643 F644 | K456-E640 IonicContact NZ-OE1 3.49Å; K456-E640 PolarHBondContact NZ-OE1 3.33Å; K456-E640 IonicContact NZ-OE2 3.32Å; R636-E640 PolarHBondContact O-N 2.75Å; M637-E640 PolarHBondContact O-N 2.88Å; E640-A642 VanDerWaalsContact C-N 3.33Å; E640-G643 WeakPolarHBondContact O-CA 3.48Å; E640-G643 PolarHBondContact O-N 3.26Å; E640-F644 WeakPolarHBondContact CA-O 3.45Å; E640-F644 PolarHBondContact N-O 3.12Å |
| 641 | S | 87.6 | Confident | 86.3 | Confident | 53 Ų | 53 | 28.9 Ų | 28.9 | 37% | 0.371 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67.2 | -32.7 | 175 | -173.8 | 0 | 0 | 0 | 0 | 112.7 | F622 M637 A638 L639 G643 | F622-S641 VanDerWaalsContact CE2-CB 3.41Å; M637-S641 PolarHBondContact O-N 3.06Å; A638-S641 PolarHBondContact O-N 2.81Å; L639-S641 PolarHBondContact O-N 3Å; S641-G643 PolarHBondContact O-N 3.26Å |
| 642 | A | 88.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.9 | -13.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L527 R614 I618 A638 L639 E640 F644 L674 | L527-A642 WeakPolarHBondContact CD2-O 3.33Å; R614-A642 PolarHBondContact NH2-O 2.77Å; I618-A642 HydrophobicContact CD1-CB 4.07Å; A638-A642 VanDerWaalsContact O-CB 3.3Å; A638-A642 WeakPolarHBondContact O-CB 3.39Å; A638-A642 PolarHBondContact O-N 3.17Å; L639-A642 CarbonylContact O-C 3.57Å; L639-A642 WeakPolarHBondContact O-CB 3.26Å; L639-A642 PolarHBondContact O-N 3.02Å; E640-A642 VanDerWaalsContact C-N 3.33Å; A642-F644 HydrophobicContact CB-CD2 4.08Å; A642-F644 HydrophobicContact CB-CE2 4.47Å; A642-L674 HydrophobicContact CB-CD1 4.25Å; A642-L674 HydrophobicContact CB-CD2 3.78Å |
| 643 | G | 88.6 | Confident | 86.7 | Confident | 13 Ų | 13 | 30.4 Ų | 30.4 | 13% | 0.134 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103.9 | 5.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | A525 N526 L639 E640 S641 | A525-G643 CarbonylContact C-O 3.2Å; A525-G643 WeakPolarHBondContact CA-O 3.34Å; N526-G643 PolarHBondContact N-O 3.2Å; L639-G643 PolarHBondContact O-N 3Å; L639-G643 VanDerWaalsContact O-N 3.11Å; E640-G643 WeakPolarHBondContact O-CA 3.48Å; E640-G643 PolarHBondContact O-N 3.26Å; S641-G643 PolarHBondContact O-N 3.26Å |
| 644 | F | 90 | Very high | 87.3 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.7 | 179.1 | -61.4 | -76.4 | 0 | 0 | 0 | 111 | A525 L527 L639 E640 A642 L646 L674 L677 E678 F681 | A525-F644 HydrophobicContact CB-CD1 3.69Å; A525-F644 HydrophobicContact CB-CE1 3.74Å; L527-F644 HydrophobicContact CD1-CE1 4Å; L527-F644 HydrophobicContact CD1-CZ 3.84Å; L527-F644 HydrophobicContact CD2-CE1 4.19Å; L527-F644 HydrophobicContact CD2-CE2 3.81Å; L527-F644 HydrophobicContact CD2-CZ 3.63Å; L527-F644 HydrophobicContact CG-CE1 4.25Å; L527-F644 HydrophobicContact CG-CZ 4.11Å; L639-F644 CarbonylContact C-O 3.58Å; L639-F644 VanDerWaalsContact C-O 3.26Å; L639-F644 HydrophobicContact CB-CB 4.47Å; L639-F644 HydrophobicContact CD2-CD2 4.48Å; L639-F644 PolarHBondContact O-N 2.92Å; E640-F644 WeakPolarHBondContact CA-O 3.45Å; E640-F644 PolarHBondContact N-O 3.12Å; A642-F644 HydrophobicContact CB-CD2 4.08Å; A642-F644 HydrophobicContact CB-CE2 4.47Å; F644-L646 HydrophobicContact CB-CG 4.43Å; F644-L674 HydrophobicContact CD2-CD2 3.7Å; F644-L674 HydrophobicContact CE2-CD2 3.67Å; F644-L677 HydrophobicContact CB-CD2 3.87Å; F644-L677 HydrophobicContact CD1-CD2 3.45Å; F644-L677 VanDerWaalsContact CD1-CD2 3.45Å; F644-L677 HydrophobicContact CD1-CG 3.85Å; F644-L677 HydrophobicContact CD2-CD2 3.88Å; F644-L677 HydrophobicContact CE1-CB 4.35Å; F644-L677 HydrophobicContact CE1-CD2 3.84Å; F644-L677 HydrophobicContact CE1-CG 3.8Å; F644-L677 HydrophobicContact CE2-CD2 4.23Å; F644-L677 HydrophobicContact CG-CD2 3.46Å; F644-L677 VanDerWaalsContact CG-CD2 3.46Å; F644-L677 HydrophobicContact CG-CG 4.34Å; F644-L677 HydrophobicContact CZ-CB 4.35Å; F644-L677 HydrophobicContact CZ-CD2 4.19Å; F644-L677 HydrophobicContact CZ-CG 4.25Å; F644-E678 HydrophobicContact CZ-CB 4.02Å; F644-F681 HydrophobicContact CD1-CD2 4.01Å; F644-F681 AromaticContact CD1-CE2 3.83Å; F644-F681 HydrophobicContact CD1-CE2 3.83Å; F644-F681 AromaticContact CE1-CD2 3.79Å; F644-F681 HydrophobicContact CE1-CD2 3.79Å; F644-F681 HydrophobicContact CE1-CE2 4.11Å |
| 645 | K | 86.8 | Confident | 87.5 | Confident | 99 Ų | 99 | 27.7 Ų | 27.7 | 43% | 0.43 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.9 | 165.8 | -67 | -171.4 | 176.5 | -170.6 | 0 | 107.9 | D521 K522 V523 V524 | D521-K645 HydrophobicContact CB-CB 4.5Å; K522-K645 VanDerWaalsContact O-O 3.14Å; V523-K645 CarbonylContact C-O 3.58Å; V523-K645 VanDerWaalsContact CA-O 3.31Å; V523-K645 WeakPolarHBondContact CA-O 3.36Å; V524-K645 PolarHBondContact N-O 3.04Å; V524-K645 PolarHBondContact O-N 2.94Å |
| 646 | L | 87.3 | Confident | 87.4 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | trans | -130 | 146.8 | -174.6 | -57 | 177.6 | 0 | 0 | 0 | 109.5 | V523 L639 F644 L650 I654 L677 F681 | V523-L646 HydrophobicContact CG1-CD2 4.2Å; L639-L646 HydrophobicContact CD1-CD1 4.21Å; F644-L646 HydrophobicContact CB-CG 4.43Å; L646-L650 HydrophobicContact CB-CB 4.34Å; L646-L650 HydrophobicContact CD2-CD1 4.26Å; L646-I654 HydrophobicContact CD1-CD1 3.31Å; L646-L677 HydrophobicContact CD1-CD2 3.84Å; L646-L677 HydrophobicContact CD2-CD1 4.37Å; L646-L677 HydrophobicContact CD2-CD2 4.28Å; L646-L677 HydrophobicContact CG-CD2 4.49Å; L646-F681 HydrophobicContact CD2-CE2 4.09Å; L646-F681 HydrophobicContact CD2-CZ 4.07Å | ||
| 647 | N | 86.8 | Confident | 87.4 | Confident | 45 Ų | 45 | 41.8 Ų | 41.8 | 24% | 0.241 | 21% | 0.205 | C | C | . | . | trans | -70.1 | 163.6 | 172.7 | 71.1 | 4.2 | 0 | 0 | 0 | 111.5 | D520 D521 V523 H649 L650 F651 | D520-N647 HydrophobicContact CB-CB 4.42Å; D520-N647 WeakPolarHBondContact OD1-CA 3.34Å; D520-N647 WeakPolarHBondContact OD2-CB 3.3Å; D521-N647 PolarHBondContact O-N 3.34Å; V523-N647 HydrophobicContact CG2-CB 4.29Å; N647-H649 PolarHBondContact O-N 3.38Å; N647-L650 PolarHBondContact O-N 3.47Å; N647-L650 VanDerWaalsContact OD1-CB 3.26Å; N647-L650 WeakPolarHBondContact OD1-CB 3.32Å; N647-L650 WeakPolarHBondContact OD1-CG 3.4Å; N647-L650 PolarHBondContact OD1-N 3.49Å; N647-F651 WeakPolarHBondContact O-CB 3.45Å; N647-F651 PolarHBondContact O-N 3.38Å | ||
| 648 | N | 83.4 | Confident | 87.6 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.032 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.9 | -38.5 | 179.3 | -69.6 | -46.9 | 0 | 0 | 0 | 112.1 | T380 D520 R636 F651 Q652 | T380-N648 HydrophobicContact CG2-CB 4.09Å; D520-N648 VanDerWaalsContact CG-N 3.27Å; D520-N648 PolarHBondContact OD1-N 3.35Å; D520-N648 VanDerWaalsContact OD1-N 3.08Å; D520-N648 PolarHBondContact OD1-ND2 3.02Å; D520-N648 VanDerWaalsContact OD2-CB 3.24Å; D520-N648 WeakPolarHBondContact OD2-CB 3.42Å; D520-N648 VanDerWaalsContact OD2-CG 3.3Å; D520-N648 PolarHBondContact OD2-N 2.68Å; D520-N648 PolarHBondContact OD2-ND2 2.76Å; R636-N648 PolarHBondContact NH1-OD1 2.76Å; R636-N648 PolarHBondContact NH2-OD1 2.75Å; N648-F651 PolarHBondContact O-N 2.76Å; N648-Q652 VanDerWaalsContact O-CG 3.26Å; N648-Q652 WeakPolarHBondContact O-CG 3.35Å; N648-Q652 PolarHBondContact O-N 3.32Å |
| 649 | H | 83.7 | Confident | 87.5 | Confident | 66 Ų | 66 | 41 Ų | 41 | 31% | 0.306 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.4 | -48.7 | -178.7 | -174.4 | 59 | 0 | 0 | 0 | 112.7 | M14 N647 F651 Q652 L653 | M14-H649 WeakPolarHBondContact CE-NE2 3.32Å; N647-H649 PolarHBondContact O-N 3.38Å; H649-F651 VanDerWaalsContact C-N 3.29Å; H649-F651 PolarHBondContact O-N 2.75Å; H649-Q652 WeakPolarHBondContact O-CB 3.24Å; H649-Q652 PolarHBondContact O-N 2.84Å; H649-L653 PolarHBondContact O-N 3.1Å |
| 650 | L | 87.1 | Confident | 87.2 | Confident | 61 Ų | 61 | 45.5 Ų | 45.5 | 32% | 0.319 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.4 | -38.3 | 175.2 | -70.7 | 175.3 | 0 | 0 | 0 | 111.1 | V523 L646 N647 Q652 L653 I654 | V523-L650 HydrophobicContact CB-CD1 4.48Å; V523-L650 HydrophobicContact CG1-CD1 3.87Å; V523-L650 HydrophobicContact CG2-CD1 3.69Å; L646-L650 HydrophobicContact CB-CB 4.34Å; L646-L650 HydrophobicContact CD2-CD1 4.26Å; N647-L650 PolarHBondContact O-N 3.47Å; N647-L650 VanDerWaalsContact OD1-CB 3.26Å; N647-L650 WeakPolarHBondContact OD1-CB 3.32Å; N647-L650 WeakPolarHBondContact OD1-CG 3.4Å; N647-L650 PolarHBondContact OD1-N 3.49Å; L650-Q652 PolarHBondContact O-N 3.32Å; L650-L653 HydrophobicContact CD2-CD1 4.49Å; L650-L653 PolarHBondContact O-N 3.4Å; L650-I654 WeakPolarHBondContact O-CG1 3.38Å; L650-I654 PolarHBondContact O-N 2.92Å |
| 651 | F | 87.6 | Confident | 86.7 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 176.4 | -173.3 | -104.3 | 0 | 0 | 0 | 112.1 | S632 M635 R636 L639 N647 N648 H649 L653 I654 I655 | S632-F651 VanDerWaalsContact O-CZ 3.3Å; S632-F651 WeakPolarHBondContact O-CZ 3.27Å; M635-F651 HydrophobicContact CB-CE2 4.45Å; M635-F651 HydrophobicContact CB-CZ 4.48Å; M635-F651 HydrophobicContact CG-CE2 4.13Å; R636-F651 HydrophobicContact CB-CD2 4.37Å; R636-F651 HydrophobicContact CB-CE1 4.26Å; R636-F651 HydrophobicContact CB-CE2 3.66Å; R636-F651 HydrophobicContact CB-CZ 3.62Å; R636-F651 HydrophobicContact CG-CD2 4.33Å; R636-F651 HydrophobicContact CG-CE2 4.11Å; R636-F651 HydrophobicContact CG-CZ 4.29Å; L639-F651 HydrophobicContact CD1-CD2 3.88Å; L639-F651 HydrophobicContact CD1-CE2 3.87Å; N647-F651 WeakPolarHBondContact O-CB 3.45Å; N647-F651 PolarHBondContact O-N 3.38Å; N648-F651 PolarHBondContact O-N 2.76Å; H649-F651 VanDerWaalsContact C-N 3.29Å; H649-F651 PolarHBondContact O-N 2.75Å; F651-L653 VanDerWaalsContact C-N 3.32Å; F651-L653 PolarHBondContact O-N 2.53Å; F651-I654 WeakPolarHBondContact O-CB 3.15Å; F651-I654 PolarHBondContact O-N 2.88Å; F651-I655 HydrophobicContact CD1-CG1 4.24Å; F651-I655 HydrophobicContact CE1-CD1 4.15Å; F651-I655 HydrophobicContact CE1-CG1 3.74Å; F651-I655 HydrophobicContact CE2-CD1 4.26Å; F651-I655 HydrophobicContact CE2-CG1 4.41Å; F651-I655 HydrophobicContact CZ-CD1 3.72Å; F651-I655 HydrophobicContact CZ-CG1 3.81Å; F651-I655 WeakPolarHBondContact O-CG1 3.39Å; F651-I655 PolarHBondContact O-N 2.87Å |
| 652 | Q | 85.8 | Confident | 86.4 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 173.5 | -75.2 | 169.6 | -3.5 | 0 | 0 | 112.4 | E374 R376 S379 T380 N648 H649 L650 I654 I655 L656 | E374-Q652 PolarHBondContact O-NE2 2.9Å; R376-Q652 HydrophobicContact CB-CG 4.2Å; R376-Q652 HydrophobicContact CG-CG 4.13Å; S379-Q652 WeakPolarHBondContact OG-CG 3.08Å; T380-Q652 HydrophobicContact CG2-CG 4.16Å; T380-Q652 VanDerWaalsContact CG2-NE2 3.31Å; T380-Q652 PolarHBondContact OG1-NE2 2.91Å; N648-Q652 VanDerWaalsContact O-CG 3.26Å; N648-Q652 WeakPolarHBondContact O-CG 3.35Å; N648-Q652 PolarHBondContact O-N 3.32Å; H649-Q652 WeakPolarHBondContact O-CB 3.24Å; H649-Q652 PolarHBondContact O-N 2.84Å; L650-Q652 PolarHBondContact O-N 3.32Å; Q652-I654 VanDerWaalsContact C-N 3.34Å; Q652-I655 PolarHBondContact O-N 2.92Å; Q652-L656 WeakPolarHBondContact O-CB 3.45Å; Q652-L656 VanDerWaalsContact O-CG 3.31Å; Q652-L656 WeakPolarHBondContact O-CG 3.4Å; Q652-L656 PolarHBondContact O-N 3.48Å |
| 653 | L | 87 | Confident | 86 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 177.3 | -68.1 | 175.6 | 0 | 0 | 0 | 112.3 | M14 H649 L650 F651 R657 | M14-L653 HydrophobicContact CE-CD1 4.27Å; M14-L653 HydrophobicContact CG-CD1 4.39Å; M14-L653 HydrophobicContact CG-CD2 4.1Å; M14-L653 HydrophobicContact SD-CD1 4.38Å; M14-L653 HydrophobicContact SD-CD2 3.78Å; H649-L653 PolarHBondContact O-N 3.1Å; L650-L653 HydrophobicContact CD2-CD1 4.49Å; L650-L653 PolarHBondContact O-N 3.4Å; F651-L653 VanDerWaalsContact C-N 3.32Å; F651-L653 PolarHBondContact O-N 2.53Å; L653-R657 WeakPolarHBondContact O-CB 3.34Å; L653-R657 PolarHBondContact O-N 2.97Å; L653-R657 VanDerWaalsContact O-N 3.08Å |
| 654 | I | 89.7 | Confident | 85.9 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 174.2 | -72.8 | 169.6 | 0 | 0 | 0 | 109.8 | M635 L639 L646 L650 F651 Q652 L656 R657 Y658 C673 | M635-I654 HydrophobicContact CE-CG2 3.88Å; L639-I654 HydrophobicContact CD1-CD1 4.14Å; L646-I654 HydrophobicContact CD1-CD1 3.31Å; L650-I654 WeakPolarHBondContact O-CG1 3.38Å; L650-I654 PolarHBondContact O-N 2.92Å; F651-I654 WeakPolarHBondContact O-CB 3.15Å; F651-I654 PolarHBondContact O-N 2.88Å; Q652-I654 VanDerWaalsContact C-N 3.34Å; I654-L656 PolarHBondContact O-N 3.49Å; I654-R657 PolarHBondContact O-N 3.3Å; I654-Y658 HydrophobicContact CG2-CD2 4.15Å; I654-Y658 WeakPolarHBondContact O-CB 3.48Å; I654-Y658 WeakPolarHBondContact O-CD2 3.05Å; I654-Y658 PolarHBondContact O-N 3.31Å; I654-C673 VanDerWaalsContact CG2-SG 3.55Å |
| 655 | I | 88.9 | Confident | 85.9 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58 | -52.5 | 178.4 | -65.3 | -52.1 | 0 | 0 | 0 | 110.2 | G378 M635 F651 Q652 R657 Y658 T659 I665 | G378-I655 WeakPolarHBondContact O-CG2 3.39Å; M635-I655 HydrophobicContact CG-CD1 4.34Å; F651-I655 HydrophobicContact CD1-CG1 4.24Å; F651-I655 HydrophobicContact CE1-CD1 4.15Å; F651-I655 HydrophobicContact CE1-CG1 3.74Å; F651-I655 HydrophobicContact CE2-CD1 4.26Å; F651-I655 HydrophobicContact CE2-CG1 4.41Å; F651-I655 HydrophobicContact CZ-CD1 3.72Å; F651-I655 HydrophobicContact CZ-CG1 3.81Å; F651-I655 WeakPolarHBondContact O-CG1 3.39Å; F651-I655 PolarHBondContact O-N 2.87Å; Q652-I655 PolarHBondContact O-N 2.92Å; I655-R657 PolarHBondContact O-N 3.46Å; I655-Y658 PolarHBondContact O-N 3Å; I655-T659 HydrophobicContact CB-CG2 4.34Å; I655-T659 HydrophobicContact CD1-CG2 4.15Å; I655-T659 HydrophobicContact CG2-CG2 3.72Å; I655-T659 WeakPolarHBondContact O-CB 3.2Å; I655-T659 WeakPolarHBondContact O-CG2 3.28Å; I655-T659 PolarHBondContact O-N 3.02Å; I655-T659 PolarHBondContact O-OG1 2.89Å; I655-I665 HydrophobicContact CD1-CD1 3.86Å |
| 656 | L | 86.1 | Confident | 86.1 | Confident | 125 Ų | 125 | 53 Ų | 53 | 65% | 0.654 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -57 | -28.8 | 179.9 | -74.9 | 169.6 | 0 | 0 | 0 | 114.4 | Q652 I654 | Q652-L656 WeakPolarHBondContact O-CB 3.45Å; Q652-L656 VanDerWaalsContact O-CG 3.31Å; Q652-L656 WeakPolarHBondContact O-CG 3.4Å; Q652-L656 PolarHBondContact O-N 3.48Å; I654-L656 PolarHBondContact O-N 3.49Å |
| 657 | R | 87.9 | Confident | 86.2 | Confident | 178 Ų | 178 | 52.6 Ų | 52.6 | 67% | 0.672 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -92.2 | -34.4 | -175.7 | -178.4 | 61.9 | -171.4 | 104.2 | -5.6 | 113.8 | L653 I654 I655 | L653-R657 WeakPolarHBondContact O-CB 3.34Å; L653-R657 PolarHBondContact O-N 2.97Å; L653-R657 VanDerWaalsContact O-N 3.08Å; I654-R657 PolarHBondContact O-N 3.3Å; I655-R657 PolarHBondContact O-N 3.46Å |
| 658 | Y | 88.7 | Confident | 86.4 | Confident | 23 Ų | 23 | 51 Ų | 51 | 9% | 0.09 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -117.4 | -5.4 | -165.1 | -66.9 | -75.3 | 0 | 0 | 0 | 114.4 | I654 I655 N669 T672 C673 R676 | I654-Y658 HydrophobicContact CG2-CD2 4.15Å; I654-Y658 WeakPolarHBondContact O-CB 3.48Å; I654-Y658 WeakPolarHBondContact O-CD2 3.05Å; I654-Y658 PolarHBondContact O-N 3.31Å; I655-Y658 PolarHBondContact O-N 3Å; Y658-N669 HydrophobicContact CD1-CB 4.39Å; Y658-N669 WeakPolarHBondContact O-CB 3.37Å; Y658-T672 HydrophobicContact CE1-CG2 3.97Å; Y658-C673 HydrophobicContact CD1-CB 4.09Å; Y658-C673 HydrophobicContact CD2-CB 3.87Å; Y658-C673 HydrophobicContact CE1-CB 4.09Å; Y658-C673 HydrophobicContact CE2-CB 3.88Å; Y658-C673 HydrophobicContact CG-CB 3.98Å; Y658-R676 WeakPolarHBondContact OH-CD 3.4Å |
| 659 | T | 87.1 | Confident | 86.8 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 15% | 0.153 | 25% | 0.251 | C | S | . | . | trans | -84 | 145.9 | 168.7 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | I655 A664 I665 | I655-T659 HydrophobicContact CB-CG2 4.34Å; I655-T659 HydrophobicContact CD1-CG2 4.15Å; I655-T659 HydrophobicContact CG2-CG2 3.72Å; I655-T659 WeakPolarHBondContact O-CB 3.2Å; I655-T659 WeakPolarHBondContact O-CG2 3.28Å; I655-T659 PolarHBondContact O-N 3.02Å; I655-T659 PolarHBondContact O-OG1 2.89Å; T659-A664 WeakPolarHBondContact CA-O 3.36Å; T659-I665 HydrophobicContact CG2-CD1 3.95Å; T659-I665 HydrophobicContact CG2-CG1 3.58Å | ||
| 660 | E | 84.3 | Confident | 87.2 | Confident | 99 Ų | 99 | 49 Ų | 49 | 46% | 0.463 | 24% | 0.237 | S | C | . | . | trans | -75.6 | 176 | 167.5 | -63.1 | -60.3 | 150.4 | 0 | 0 | 111.8 | D662 M663 A664 N669 | E660-D662 PolarHBondContact O-N 2.99Å; E660-D662 VanDerWaalsContact O-N 3.14Å; E660-M663 WeakPolarHBondContact O-CA 3.39Å; E660-M663 PolarHBondContact O-N 2.87Å; E660-A664 PolarHBondContact N-O 3.43Å; E660-N669 PolarHBondContact OE1-ND2 2.88Å | ||
| 661 | E | 78.6 | Confident | 87.4 | Confident | 200 Ų | 200 | 46 Ų | 46 | 94% | 0.935 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.9 | -178.1 | -65.9 | -171.5 | 168.2 | 0 | 0 | 113.9 | M663 | E661-M663 VanDerWaalsContact C-N 3.26Å; E661-M663 PolarHBondContact O-N 3.11Å |
| 662 | D | 80.4 | Confident | 87.5 | Confident | 101 Ų | 101 | 46.5 Ų | 46.5 | 54% | 0.54 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.1 | 176.5 | 66.6 | -5.2 | 0 | 0 | 0 | 113.6 | E660 A664 | E660-D662 PolarHBondContact O-N 2.99Å; E660-D662 VanDerWaalsContact O-N 3.14Å; D662-A664 PolarHBondContact O-N 3.29Å; D662-A664 VanDerWaalsContact OD1-CB 3.24Å; D662-A664 WeakPolarHBondContact OD1-CB 3.22Å; D662-A664 PolarHBondContact OD1-N 3.15Å |
| 663 | M | 81.2 | Confident | 87.9 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 66 | 17.7 | -175.6 | -53.8 | -66.1 | -105.2 | 0 | 0 | 114.2 | R377 E660 E661 | R377-M663 VanDerWaalsContact C-CE 3.44Å; R377-M663 HydrophobicContact CB-CE 3.86Å; R377-M663 HydrophobicContact CG-CE 3.7Å; R377-M663 WeakPolarHBondContact O-CE 3.23Å; E660-M663 WeakPolarHBondContact O-CA 3.39Å; E660-M663 PolarHBondContact O-N 2.87Å; E661-M663 VanDerWaalsContact C-N 3.26Å; E661-M663 PolarHBondContact O-N 3.11Å |
| 664 | A | 86.1 | Confident | 88.1 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 152.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | T629 T659 E660 D662 | T629-A664 HydrophobicContact CG2-CB 4.37Å; T659-A664 WeakPolarHBondContact CA-O 3.36Å; E660-A664 PolarHBondContact N-O 3.43Å; D662-A664 PolarHBondContact O-N 3.29Å; D662-A664 VanDerWaalsContact OD1-CB 3.24Å; D662-A664 WeakPolarHBondContact OD1-CB 3.22Å; D662-A664 PolarHBondContact OD1-N 3.15Å |
| 665 | I | 89.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117 | 175 | -55.7 | 180 | 0 | 0 | 0 | 107.1 | M630 M635 I655 T659 N669 F670 | M630-I665 HydrophobicContact CB-CB 4.47Å; M630-I665 PolarHBondContact N-O 3.12Å; M630-I665 PolarHBondContact O-N 2.9Å; M635-I665 HydrophobicContact CB-CD1 3.78Å; M635-I665 HydrophobicContact CE-CD1 4.5Å; M635-I665 HydrophobicContact CG-CD1 3.55Å; M635-I665 HydrophobicContact SD-CD1 4.05Å; I655-I665 HydrophobicContact CD1-CD1 3.86Å; T659-I665 HydrophobicContact CG2-CD1 3.95Å; T659-I665 HydrophobicContact CG2-CG1 3.58Å; I665-N669 HydrophobicContact CG2-CB 3.96Å; I665-F670 HydrophobicContact CG2-CB 4.13Å |
| 666 | D | 90.3 | Very high | 88.2 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | trans | -80.3 | 175.6 | 174.7 | 85.7 | -34.6 | 0 | 0 | 0 | 111.5 | T577 D668 N669 F670 | T577-D666 WeakPolarHBondContact CB-OD2 3.39Å; T577-D666 PolarHBondContact OG1-OD2 2.92Å; D666-D668 VanDerWaalsContact C-N 3.33Å; D666-D668 PolarHBondContact O-N 3.07Å; D666-D668 PolarHBondContact OD1-N 3.35Å; D666-N669 VanDerWaalsContact OD1-CB 3.24Å; D666-N669 WeakPolarHBondContact OD1-CB 3.5Å; D666-N669 PolarHBondContact OD1-N 3.38Å; D666-N669 PolarHBondContact OD1-ND2 2.82Å; D666-F670 WeakPolarHBondContact O-CB 3.48Å; D666-F670 PolarHBondContact O-N 2.92Å | ||
| 667 | F | 90.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -33.3 | -177.3 | -171.9 | -115.6 | 0 | 0 | 0 | 113.1 | M569 L575 F580 L616 F619 F670 V671 | M569-F667 HydrophobicContact CE-CE1 4.37Å; M569-F667 HydrophobicContact SD-CD1 3.68Å; M569-F667 HydrophobicContact SD-CE1 3.66Å; L575-F667 HydrophobicContact CD1-CB 4.34Å; L575-F667 HydrophobicContact CD1-CD1 4.06Å; L575-F667 HydrophobicContact CD1-CG 4.12Å; F580-F667 HydrophobicContact CE2-CD1 4.38Å; F580-F667 HydrophobicContact CE2-CE1 4.22Å; F580-F667 AromaticContact CZ-CD1 3.88Å; F580-F667 HydrophobicContact CZ-CD1 3.88Å; F580-F667 AromaticContact CZ-CE1 3.65Å; F580-F667 HydrophobicContact CZ-CE1 3.65Å; L616-F667 HydrophobicContact CB-CE2 4.12Å; L616-F667 HydrophobicContact CB-CZ 3.78Å; L616-F667 HydrophobicContact CD1-CD2 4.48Å; L616-F667 HydrophobicContact CD1-CE1 4.37Å; L616-F667 HydrophobicContact CD1-CE2 3.99Å; L616-F667 HydrophobicContact CD1-CZ 3.93Å; L616-F667 HydrophobicContact CG-CZ 4.43Å; F619-F667 HydrophobicContact CB-CD2 3.98Å; F619-F667 HydrophobicContact CB-CE2 4.02Å; F619-F667 HydrophobicContact CD1-CD2 4.34Å; F619-F667 HydrophobicContact CD2-CB 4.49Å; F619-F667 AromaticContact CD2-CD2 3.59Å; F619-F667 HydrophobicContact CD2-CD2 3.59Å; F619-F667 HydrophobicContact CD2-CE2 4.37Å; F619-F667 HydrophobicContact CE2-CB 4.14Å; F619-F667 HydrophobicContact CE2-CD2 4.1Å; F619-F667 AromaticContact CG-CD2 3.72Å; F619-F667 HydrophobicContact CG-CD2 3.72Å; F619-F667 HydrophobicContact CG-CE2 4.27Å; F619-F667 HydrophobicContact CZ-CB 4.32Å; F667-F670 HydrophobicContact CD2-CD1 4.31Å; F667-F670 HydrophobicContact CE2-CD1 4.32Å; F667-V671 HydrophobicContact CD1-CG2 4.36Å; F667-V671 HydrophobicContact CD2-CG2 4.16Å; F667-V671 HydrophobicContact CE1-CG2 3.94Å; F667-V671 HydrophobicContact CE2-CG2 3.69Å; F667-V671 HydrophobicContact CG-CG2 4.47Å; F667-V671 HydrophobicContact CZ-CG2 3.56Å; F667-V671 WeakPolarHBondContact O-CG2 3.19Å; F667-V671 PolarHBondContact O-N 3.41Å; F667-V671 VanDerWaalsContact O-N 3.1Å |
| 668 | D | 90.5 | Very high | 88.6 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.3 | -52.9 | 177.4 | -175.6 | 29.1 | 0 | 0 | 0 | 110.9 | F580 S581 A584 D666 F670 V671 T672 | F580-D668 HydrophobicContact CD1-CB 4.48Å; F580-D668 WeakPolarHBondContact CD1-OD1 3.47Å; S581-D668 VanDerWaalsContact CB-OD2 3.24Å; S581-D668 WeakPolarHBondContact CB-OD2 3.36Å; S581-D668 PolarHBondContact N-OD2 3.24Å; S581-D668 PolarHBondContact OG-OD2 3.48Å; A584-D668 WeakPolarHBondContact CB-OD1 3.43Å; D666-D668 VanDerWaalsContact C-N 3.33Å; D666-D668 PolarHBondContact O-N 3.07Å; D666-D668 PolarHBondContact OD1-N 3.35Å; D668-F670 VanDerWaalsContact C-N 3.31Å; D668-F670 PolarHBondContact O-N 3.37Å; D668-V671 PolarHBondContact O-N 3.13Å; D668-T672 VanDerWaalsContact O-CB 3.32Å; D668-T672 WeakPolarHBondContact O-CB 3.49Å; D668-T672 PolarHBondContact O-N 3.33Å; D668-T672 PolarHBondContact O-OG1 3.1Å; D668-T672 PolarHBondContact OD1-OG1 3.08Å |
| 669 | N | 91.1 | Very high | 88.5 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 15% | 0.15 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 179.4 | -76.8 | -55.5 | 0 | 0 | 0 | 112 | Y658 E660 I665 D666 T672 C673 | Y658-N669 HydrophobicContact CD1-CB 4.39Å; Y658-N669 WeakPolarHBondContact O-CB 3.37Å; E660-N669 PolarHBondContact OE1-ND2 2.88Å; I665-N669 HydrophobicContact CG2-CB 3.96Å; D666-N669 VanDerWaalsContact OD1-CB 3.24Å; D666-N669 WeakPolarHBondContact OD1-CB 3.5Å; D666-N669 PolarHBondContact OD1-N 3.38Å; D666-N669 PolarHBondContact OD1-ND2 2.82Å; N669-T672 PolarHBondContact O-N 2.89Å; N669-C673 VanDerWaalsContact O-CB 3.3Å; N669-C673 WeakPolarHBondContact O-CB 3.39Å; N669-C673 PolarHBondContact O-N 2.97Å |
| 670 | F | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.9 | -52.7 | 175.9 | 175.2 | -119.3 | 0 | 0 | 0 | 112.6 | I618 F619 M630 M635 A638 I665 D666 F667 D668 T672 C673 L674 | I618-F670 HydrophobicContact CG2-CZ 4.14Å; F619-F670 HydrophobicContact CB-CD1 4.28Å; F619-F670 HydrophobicContact CB-CE1 4.11Å; F619-F670 HydrophobicContact CD2-CB 4.14Å; F619-F670 AromaticContact CD2-CD1 3.69Å; F619-F670 HydrophobicContact CD2-CD1 3.69Å; F619-F670 HydrophobicContact CD2-CE1 4.24Å; F619-F670 HydrophobicContact CD2-CG 4Å; F619-F670 HydrophobicContact CE2-CB 4.25Å; F619-F670 HydrophobicContact CG-CD1 4.48Å; M630-F670 HydrophobicContact CE-CB 3.73Å; M630-F670 HydrophobicContact CE-CD1 3.86Å; M630-F670 HydrophobicContact CE-CD2 3.12Å; M630-F670 HydrophobicContact CE-CE1 4.16Å; M630-F670 HydrophobicContact CE-CE2 3.48Å; M630-F670 VanDerWaalsContact CE-CE2 3.48Å; M630-F670 HydrophobicContact CE-CG 3.29Å; M630-F670 HydrophobicContact CE-CZ 3.96Å; M635-F670 HydrophobicContact CE-CD2 3.84Å; M635-F670 HydrophobicContact CE-CE2 4.26Å; M635-F670 HydrophobicContact SD-CD2 3.45Å; M635-F670 WeakPolarHBondContact SD-CD2 3.48Å; M635-F670 HydrophobicContact SD-CE2 3.7Å; A638-F670 HydrophobicContact CB-CE2 3.92Å; A638-F670 HydrophobicContact CB-CZ 4.05Å; I665-F670 HydrophobicContact CG2-CB 4.13Å; D666-F670 WeakPolarHBondContact O-CB 3.48Å; D666-F670 PolarHBondContact O-N 2.92Å; F667-F670 HydrophobicContact CD2-CD1 4.31Å; F667-F670 HydrophobicContact CE2-CD1 4.32Å; D668-F670 VanDerWaalsContact C-N 3.31Å; D668-F670 PolarHBondContact O-N 3.37Å; F670-T672 VanDerWaalsContact C-N 3.34Å; F670-C673 WeakPolarHBondContact O-CB 3.46Å; F670-C673 PolarHBondContact O-N 2.93Å; F670-L674 HydrophobicContact CD1-CD1 4.21Å; F670-L674 HydrophobicContact CD2-CD1 4.27Å; F670-L674 HydrophobicContact CD2-CG 4.45Å; F670-L674 HydrophobicContact CE1-CD1 3.64Å; F670-L674 HydrophobicContact CE2-CD1 3.73Å; F670-L674 HydrophobicContact CE2-CG 4.14Å; F670-L674 HydrophobicContact CZ-CD1 3.41Å; F670-L674 VanDerWaalsContact CZ-CD1 3.41Å; F670-L674 HydrophobicContact CZ-CG 4.31Å; F670-L674 PolarHBondContact O-N 2.96Å; F670-L674 VanDerWaalsContact O-N 3.08Å |
| 671 | V | 91.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.7 | -42.2 | -179.2 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | F580 M588 Y615 F667 D668 C673 L674 V675 | F580-V671 HydrophobicContact CE1-CB 3.92Å; F580-V671 HydrophobicContact CE1-CG1 4.02Å; F580-V671 HydrophobicContact CE1-CG2 4.22Å; F580-V671 HydrophobicContact CZ-CB 4.49Å; F580-V671 HydrophobicContact CZ-CG2 4.31Å; M588-V671 HydrophobicContact CE-CB 4.45Å; M588-V671 HydrophobicContact CE-CG1 3.5Å; Y615-V671 HydrophobicContact CD2-CG1 4.08Å; Y615-V671 HydrophobicContact CD2-CG2 4.32Å; F667-V671 HydrophobicContact CD1-CG2 4.36Å; F667-V671 HydrophobicContact CD2-CG2 4.16Å; F667-V671 HydrophobicContact CE1-CG2 3.94Å; F667-V671 HydrophobicContact CE2-CG2 3.69Å; F667-V671 HydrophobicContact CG-CG2 4.47Å; F667-V671 HydrophobicContact CZ-CG2 3.56Å; F667-V671 WeakPolarHBondContact O-CG2 3.19Å; F667-V671 PolarHBondContact O-N 3.41Å; F667-V671 VanDerWaalsContact O-N 3.1Å; D668-V671 PolarHBondContact O-N 3.13Å; V671-C673 VanDerWaalsContact C-N 3.29Å; V671-C673 PolarHBondContact O-N 3.11Å; V671-L674 PolarHBondContact O-N 2.92Å; V671-V675 HydrophobicContact CG1-CG2 4.05Å; V671-V675 WeakPolarHBondContact O-CB 3.3Å; V671-V675 VanDerWaalsContact O-CG2 3.26Å; V671-V675 WeakPolarHBondContact O-CG2 3.44Å; V671-V675 PolarHBondContact O-N 3.16Å |
| 672 | T | 91.4 | Very high | 89.2 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 8% | 0.08 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 177.4 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | A584 Y658 D668 N669 F670 R676 | A584-T672 HydrophobicContact CB-CG2 4.44Å; A584-T672 WeakPolarHBondContact CB-OG1 3.47Å; Y658-T672 HydrophobicContact CE1-CG2 3.97Å; D668-T672 VanDerWaalsContact O-CB 3.32Å; D668-T672 WeakPolarHBondContact O-CB 3.49Å; D668-T672 PolarHBondContact O-N 3.33Å; D668-T672 PolarHBondContact O-OG1 3.1Å; D668-T672 PolarHBondContact OD1-OG1 3.08Å; N669-T672 PolarHBondContact O-N 2.89Å; F670-T672 VanDerWaalsContact C-N 3.34Å; T672-R676 VanDerWaalsContact O-CB 3.3Å; T672-R676 WeakPolarHBondContact O-CB 3.28Å; T672-R676 PolarHBondContact O-N 3.01Å |
| 673 | C | 92.7 | Very high | 89.5 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.02 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.8 | -51 | 174.8 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | M635 I654 Y658 N669 F670 V671 V675 R676 L677 | M635-C673 HydrophobicContact CE-CB 4.12Å; I654-C673 VanDerWaalsContact CG2-SG 3.55Å; Y658-C673 HydrophobicContact CD1-CB 4.09Å; Y658-C673 HydrophobicContact CD2-CB 3.87Å; Y658-C673 HydrophobicContact CE1-CB 4.09Å; Y658-C673 HydrophobicContact CE2-CB 3.88Å; Y658-C673 HydrophobicContact CG-CB 3.98Å; N669-C673 VanDerWaalsContact O-CB 3.3Å; N669-C673 WeakPolarHBondContact O-CB 3.39Å; N669-C673 PolarHBondContact O-N 2.97Å; F670-C673 WeakPolarHBondContact O-CB 3.46Å; F670-C673 PolarHBondContact O-N 2.93Å; V671-C673 VanDerWaalsContact C-N 3.29Å; V671-C673 PolarHBondContact O-N 3.11Å; C673-V675 PolarHBondContact O-N 3.17Å; C673-R676 PolarHBondContact O-N 3.01Å; C673-L677 VanDerWaalsContact O-CB 3.26Å; C673-L677 WeakPolarHBondContact O-CB 3.41Å; C673-L677 PolarHBondContact O-N 3.41Å |
| 674 | L | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -43 | -178.5 | -71.4 | 177.3 | 0 | 0 | 0 | 112.6 | Y615 L639 A642 F644 F670 V671 L677 E678 | Y615-L674 HydrophobicContact CD1-CD1 3.49Å; Y615-L674 VanDerWaalsContact CD1-CD1 3.49Å; Y615-L674 HydrophobicContact CD2-CD1 4.31Å; Y615-L674 HydrophobicContact CE1-CB 4.3Å; Y615-L674 HydrophobicContact CE1-CD1 3.73Å; Y615-L674 HydrophobicContact CE2-CB 4.26Å; Y615-L674 HydrophobicContact CE2-CD1 4.5Å; Y615-L674 HydrophobicContact CG-CD1 3.81Å; L639-L674 HydrophobicContact CD2-CD2 3.5Å; A642-L674 HydrophobicContact CB-CD1 4.25Å; A642-L674 HydrophobicContact CB-CD2 3.78Å; F644-L674 HydrophobicContact CD2-CD2 3.7Å; F644-L674 HydrophobicContact CE2-CD2 3.67Å; F670-L674 HydrophobicContact CD1-CD1 4.21Å; F670-L674 HydrophobicContact CD2-CD1 4.27Å; F670-L674 HydrophobicContact CD2-CG 4.45Å; F670-L674 HydrophobicContact CE1-CD1 3.64Å; F670-L674 HydrophobicContact CE2-CD1 3.73Å; F670-L674 HydrophobicContact CE2-CG 4.14Å; F670-L674 HydrophobicContact CZ-CD1 3.41Å; F670-L674 VanDerWaalsContact CZ-CD1 3.41Å; F670-L674 HydrophobicContact CZ-CG 4.31Å; F670-L674 PolarHBondContact O-N 2.96Å; F670-L674 VanDerWaalsContact O-N 3.08Å; V671-L674 PolarHBondContact O-N 2.92Å; L674-L677 PolarHBondContact O-N 3.24Å; L674-E678 VanDerWaalsContact O-CB 3.32Å; L674-E678 WeakPolarHBondContact O-CB 3.44Å; L674-E678 PolarHBondContact O-N 3.4Å |
| 675 | V | 90.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 178.1 | 166.6 | 0 | 0 | 0 | 0 | 110.8 | S587 M588 L591 Y615 V671 C673 E678 T679 | S587-V675 VanDerWaalsContact O-CG1 3.3Å; S587-V675 WeakPolarHBondContact O-CG1 3.24Å; M588-V675 HydrophobicContact CG-CG1 4.24Å; M588-V675 HydrophobicContact CG-CG2 4.13Å; L591-V675 HydrophobicContact CB-CG1 3.92Å; L591-V675 HydrophobicContact CD2-CB 4.24Å; L591-V675 HydrophobicContact CD2-CG1 3.8Å; L591-V675 HydrophobicContact CD2-CG2 4.22Å; L591-V675 HydrophobicContact CG-CG1 4.48Å; Y615-V675 HydrophobicContact CE2-CG2 4.21Å; V671-V675 HydrophobicContact CG1-CG2 4.05Å; V671-V675 WeakPolarHBondContact O-CB 3.3Å; V671-V675 VanDerWaalsContact O-CG2 3.26Å; V671-V675 WeakPolarHBondContact O-CG2 3.44Å; V671-V675 PolarHBondContact O-N 3.16Å; C673-V675 PolarHBondContact O-N 3.17Å; V675-E678 PolarHBondContact O-N 3.48Å; V675-T679 WeakPolarHBondContact O-CB 3.33Å; V675-T679 PolarHBondContact O-N 3.35Å; V675-T679 PolarHBondContact O-OG1 3.3Å |
| 676 | R | 90.2 | Very high | 89.7 | Confident | 79 Ų | 79 | 34.8 Ų | 34.8 | 30% | 0.298 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 178.2 | -166.7 | -177.6 | -178.6 | 84.6 | 5.8 | 111.3 | Y658 T672 C673 T679 M680 A709 | Y658-R676 WeakPolarHBondContact OH-CD 3.4Å; T672-R676 VanDerWaalsContact O-CB 3.3Å; T672-R676 WeakPolarHBondContact O-CB 3.28Å; T672-R676 PolarHBondContact O-N 3.01Å; C673-R676 PolarHBondContact O-N 3.01Å; R676-T679 WeakPolarHBondContact O-CB 3.38Å; R676-T679 PolarHBondContact O-N 2.9Å; R676-M680 HydrophobicContact CG-CE 4.07Å; R676-M680 HydrophobicContact CG-SD 4.47Å; R676-M680 WeakPolarHBondContact O-CG 3.43Å; R676-M680 PolarHBondContact O-N 3.26Å; R676-A709 PolarHBondContact NH1-O 2.99Å; R676-A709 PolarHBondContact NH1-OXT 3.05Å; R676-A709 PolarHBondContact NH2-O 2.87Å |
| 677 | L | 90.8 | Very high | 89.5 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 13% | 0.131 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 177.7 | -168.7 | 65.1 | 0 | 0 | 0 | 110.9 | L639 F644 L646 C673 L674 T679 M680 F681 | L639-L677 HydrophobicContact CD2-CD2 4.24Å; F644-L677 HydrophobicContact CB-CD2 3.87Å; F644-L677 HydrophobicContact CD1-CD2 3.45Å; F644-L677 VanDerWaalsContact CD1-CD2 3.45Å; F644-L677 HydrophobicContact CD1-CG 3.85Å; F644-L677 HydrophobicContact CD2-CD2 3.88Å; F644-L677 HydrophobicContact CE1-CB 4.35Å; F644-L677 HydrophobicContact CE1-CD2 3.84Å; F644-L677 HydrophobicContact CE1-CG 3.8Å; F644-L677 HydrophobicContact CE2-CD2 4.23Å; F644-L677 HydrophobicContact CG-CD2 3.46Å; F644-L677 VanDerWaalsContact CG-CD2 3.46Å; F644-L677 HydrophobicContact CG-CG 4.34Å; F644-L677 HydrophobicContact CZ-CB 4.35Å; F644-L677 HydrophobicContact CZ-CD2 4.19Å; F644-L677 HydrophobicContact CZ-CG 4.25Å; L646-L677 HydrophobicContact CD1-CD2 3.84Å; L646-L677 HydrophobicContact CD2-CD1 4.37Å; L646-L677 HydrophobicContact CD2-CD2 4.28Å; L646-L677 HydrophobicContact CG-CD2 4.49Å; C673-L677 VanDerWaalsContact O-CB 3.26Å; C673-L677 WeakPolarHBondContact O-CB 3.41Å; C673-L677 PolarHBondContact O-N 3.41Å; L674-L677 PolarHBondContact O-N 3.24Å; L677-T679 VanDerWaalsContact C-N 3.33Å; L677-T679 PolarHBondContact O-N 2.74Å; L677-M680 PolarHBondContact O-N 2.84Å; L677-F681 HydrophobicContact CD1-CD2 4.07Å; L677-F681 HydrophobicContact CD1-CE2 3.7Å; L677-F681 HydrophobicContact CD2-CE2 4.37Å; L677-F681 HydrophobicContact CG-CD2 3.91Å; L677-F681 HydrophobicContact CG-CE2 3.78Å; L677-F681 VanDerWaalsContact O-CD2 3.3Å; L677-F681 WeakPolarHBondContact O-CD2 3.49Å; L677-F681 PolarHBondContact O-N 3.48Å |
| 678 | E | 90.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.4 | -45.9 | 174.7 | -176.4 | 168.5 | 163.5 | 0 | 0 | 111.8 | L527 L591 K611 Y615 F644 L674 V675 M680 F681 K682 | L527-E678 HydrophobicContact CD1-CB 4.19Å; L527-E678 HydrophobicContact CD1-CG 3.55Å; L591-E678 HydrophobicContact CD1-CB 4.19Å; L591-E678 HydrophobicContact CD1-CG 3.8Å; L591-E678 HydrophobicContact CD2-CB 4.34Å; L591-E678 HydrophobicContact CD2-CG 4.31Å; K611-E678 IonicContact NZ-OE1 3.28Å; K611-E678 PolarHBondContact NZ-OE1 2.91Å; K611-E678 IonicContact NZ-OE2 2.77Å; K611-E678 PolarHBondContact NZ-OE2 3.45Å; Y615-E678 PolarHBondContact OH-OE2 3.43Å; Y615-E678 VanDerWaalsContact OH-OE2 3.09Å; F644-E678 HydrophobicContact CZ-CB 4.02Å; L674-E678 VanDerWaalsContact O-CB 3.32Å; L674-E678 WeakPolarHBondContact O-CB 3.44Å; L674-E678 PolarHBondContact O-N 3.4Å; V675-E678 PolarHBondContact O-N 3.48Å; E678-M680 VanDerWaalsContact C-N 3.33Å; E678-M680 PolarHBondContact O-N 3.36Å; E678-F681 PolarHBondContact O-N 3.02Å; E678-K682 HydrophobicContact CG-CD 4.27Å; E678-K682 HydrophobicContact CG-CG 4.44Å; E678-K682 WeakPolarHBondContact O-CB 3.34Å; E678-K682 WeakPolarHBondContact O-CG 3.2Å; E678-K682 PolarHBondContact O-N 2.72Å; E678-K682 WeakPolarHBondContact OE1-CE 3.39Å; E678-K682 IonicContact OE1-NZ 2.63Å; E678-K682 PolarHBondContact OE1-NZ 3.09Å |
| 679 | T | 88 | Confident | 89.3 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 10% | 0.104 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -45.2 | 178.4 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | L591 V675 R676 L677 T683 | L591-T679 WeakPolarHBondContact CB-OG1 3.25Å; L591-T679 WeakPolarHBondContact CD1-OG1 3Å; V675-T679 WeakPolarHBondContact O-CB 3.33Å; V675-T679 PolarHBondContact O-N 3.35Å; V675-T679 PolarHBondContact O-OG1 3.3Å; R676-T679 WeakPolarHBondContact O-CB 3.38Å; R676-T679 PolarHBondContact O-N 2.9Å; L677-T679 VanDerWaalsContact C-N 3.33Å; L677-T679 PolarHBondContact O-N 2.74Å; T679-T683 WeakPolarHBondContact O-CB 3.31Å; T679-T683 PolarHBondContact O-N 3.24Å; T679-T683 PolarHBondContact O-OG1 2.8Å |
| 680 | M | 89 | Confident | 89.1 | Confident | 91 Ų | 91 | 48.8 Ų | 48.8 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 178.9 | -72.4 | 178.8 | 169.7 | 0 | 0 | 112.2 | R676 L677 E678 T683 F684 | R676-M680 HydrophobicContact CG-CE 4.07Å; R676-M680 HydrophobicContact CG-SD 4.47Å; R676-M680 WeakPolarHBondContact O-CG 3.43Å; R676-M680 PolarHBondContact O-N 3.26Å; L677-M680 PolarHBondContact O-N 2.84Å; E678-M680 VanDerWaalsContact C-N 3.33Å; E678-M680 PolarHBondContact O-N 3.36Å; M680-T683 PolarHBondContact O-N 3Å; M680-F684 WeakPolarHBondContact O-CB 3.46Å; M680-F684 PolarHBondContact O-N 2.87Å |
| 681 | F | 89.1 | Confident | 88.8 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 18% | 0.18 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 177 | -88.5 | -79.8 | 0 | 0 | 0 | 111.9 | V523 A525 F644 L646 L677 E678 T683 F684 T685 | V523-F681 HydrophobicContact CG1-CE1 3.98Å; V523-F681 HydrophobicContact CG1-CZ 3.58Å; A525-F681 HydrophobicContact CB-CB 4.13Å; A525-F681 HydrophobicContact CB-CD1 3.57Å; A525-F681 HydrophobicContact CB-CD2 3.81Å; A525-F681 HydrophobicContact CB-CE1 3.79Å; A525-F681 HydrophobicContact CB-CE2 4.03Å; A525-F681 HydrophobicContact CB-CG 3.57Å; A525-F681 HydrophobicContact CB-CZ 4.01Å; F644-F681 HydrophobicContact CD1-CD2 4.01Å; F644-F681 AromaticContact CD1-CE2 3.83Å; F644-F681 HydrophobicContact CD1-CE2 3.83Å; F644-F681 AromaticContact CE1-CD2 3.79Å; F644-F681 HydrophobicContact CE1-CD2 3.79Å; F644-F681 HydrophobicContact CE1-CE2 4.11Å; L646-F681 HydrophobicContact CD2-CE2 4.09Å; L646-F681 HydrophobicContact CD2-CZ 4.07Å; L677-F681 HydrophobicContact CD1-CD2 4.07Å; L677-F681 HydrophobicContact CD1-CE2 3.7Å; L677-F681 HydrophobicContact CD2-CE2 4.37Å; L677-F681 HydrophobicContact CG-CD2 3.91Å; L677-F681 HydrophobicContact CG-CE2 3.78Å; L677-F681 VanDerWaalsContact O-CD2 3.3Å; L677-F681 WeakPolarHBondContact O-CD2 3.49Å; L677-F681 PolarHBondContact O-N 3.48Å; E678-F681 PolarHBondContact O-N 3.02Å; F681-T683 VanDerWaalsContact C-N 3.33Å; F681-T683 PolarHBondContact O-N 3.04Å; F681-F684 PolarHBondContact O-N 3.13Å; F681-T685 WeakPolarHBondContact O-CB 3.45Å; F681-T685 PolarHBondContact O-N 3.07Å; F681-T685 PolarHBondContact O-OG1 2.47Å |
| 682 | K | 86.6 | Confident | 88.6 | Confident | 52 Ų | 52 | 55.9 Ų | 55.9 | 23% | 0.226 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 177.1 | -76 | -176.1 | -177.9 | 178.8 | 0 | 111.7 | E530 L591 E678 F684 T685 N686 | E530-K682 IonicContact OE1-NZ 2.8Å; E530-K682 PolarHBondContact OE1-NZ 2.76Å; E530-K682 IonicContact OE2-NZ 3.39Å; E530-K682 PolarHBondContact OE2-NZ 3.28Å; L591-K682 HydrophobicContact CD1-CD 4.12Å; E678-K682 HydrophobicContact CG-CD 4.27Å; E678-K682 HydrophobicContact CG-CG 4.44Å; E678-K682 WeakPolarHBondContact O-CB 3.34Å; E678-K682 WeakPolarHBondContact O-CG 3.2Å; E678-K682 PolarHBondContact O-N 2.72Å; E678-K682 WeakPolarHBondContact OE1-CE 3.39Å; E678-K682 IonicContact OE1-NZ 2.63Å; E678-K682 PolarHBondContact OE1-NZ 3.09Å; K682-F684 VanDerWaalsContact C-N 3.35Å; K682-F684 PolarHBondContact O-N 2.93Å; K682-T685 PolarHBondContact O-N 3.01Å; K682-N686 VanDerWaalsContact O-CB 3.26Å; K682-N686 WeakPolarHBondContact O-CB 3.22Å; K682-N686 PolarHBondContact O-N 3.48Å; K682-N686 PolarHBondContact O-ND2 3.41Å |
| 683 | T | 86.1 | Confident | 88.3 | Confident | 50 Ų | 50 | 57.5 Ų | 57.5 | 31% | 0.307 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | -179.8 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | T679 M680 F681 N686 M687 L705 | T679-T683 WeakPolarHBondContact O-CB 3.31Å; T679-T683 PolarHBondContact O-N 3.24Å; T679-T683 PolarHBondContact O-OG1 2.8Å; M680-T683 PolarHBondContact O-N 3Å; F681-T683 VanDerWaalsContact C-N 3.33Å; F681-T683 PolarHBondContact O-N 3.04Å; T683-N686 PolarHBondContact O-N 2.84Å; T683-M687 HydrophobicContact CG2-SD 4.19Å; T683-M687 VanDerWaalsContact O-CG 3.28Å; T683-M687 WeakPolarHBondContact O-CG 3.49Å; T683-M687 PolarHBondContact O-N 2.87Å; T683-L705 HydrophobicContact CG2-CD1 3.57Å; T683-L705 HydrophobicContact CG2-CG 4.39Å |
| 684 | F | 88.9 | Confident | 88.1 | Confident | 78 Ų | 78 | 64.2 Ų | 64.2 | 34% | 0.342 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61 | -53.2 | 177.4 | -171 | -84.5 | 0 | 0 | 0 | 111.7 | M680 F681 K682 N686 M687 D688 I695 | M680-F684 WeakPolarHBondContact O-CB 3.46Å; M680-F684 PolarHBondContact O-N 2.87Å; F681-F684 PolarHBondContact O-N 3.13Å; K682-F684 VanDerWaalsContact C-N 3.35Å; K682-F684 PolarHBondContact O-N 2.93Å; F684-N686 VanDerWaalsContact C-N 3.28Å; F684-N686 PolarHBondContact O-N 3.27Å; F684-M687 PolarHBondContact O-N 2.67Å; F684-D688 HydrophobicContact CD1-CB 4.31Å; F684-D688 HydrophobicContact CE1-CB 4.05Å; F684-D688 WeakPolarHBondContact O-CB 3.39Å; F684-D688 PolarHBondContact O-N 3.05Å; F684-I695 HydrophobicContact CD2-CD1 3.9Å; F684-I695 HydrophobicContact CD2-CG1 4.24Å; F684-I695 HydrophobicContact CD2-CG2 4.09Å; F684-I695 HydrophobicContact CE2-CB 4.45Å; F684-I695 HydrophobicContact CE2-CD1 4.1Å; F684-I695 HydrophobicContact CE2-CG1 3.93Å; F684-I695 HydrophobicContact CE2-CG2 3.84Å; F684-I695 HydrophobicContact CZ-CG2 4.09Å |
| 685 | T | 86.8 | Confident | 88 | Confident | 92 Ų | 92 | 66.9 Ų | 66.9 | 56% | 0.564 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.4 | -33.3 | -179.1 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | F681 K682 M687 | F681-T685 WeakPolarHBondContact O-CB 3.45Å; F681-T685 PolarHBondContact O-N 3.07Å; F681-T685 PolarHBondContact O-OG1 2.47Å; K682-T685 PolarHBondContact O-N 3.01Å; T685-M687 VanDerWaalsContact C-N 3.29Å; T685-M687 PolarHBondContact O-N 3.09Å |
| 686 | N | 85.1 | Confident | 87.8 | Confident | 125 Ų | 125 | 72.6 Ų | 72.6 | 67% | 0.668 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -71 | -26 | 176 | -73.1 | -17.8 | 0 | 0 | 0 | 112.7 | K682 T683 F684 | K682-N686 VanDerWaalsContact O-CB 3.26Å; K682-N686 WeakPolarHBondContact O-CB 3.22Å; K682-N686 PolarHBondContact O-N 3.48Å; K682-N686 PolarHBondContact O-ND2 3.41Å; T683-N686 PolarHBondContact O-N 2.84Å; F684-N686 VanDerWaalsContact C-N 3.28Å; F684-N686 PolarHBondContact O-N 3.27Å |
| 687 | M | 86.3 | Confident | 87.8 | Confident | 82 Ų | 82 | 71.2 Ų | 71.2 | 40% | 0.404 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -92.1 | -29.1 | 179.3 | -66.1 | -172.9 | 89.7 | 0 | 0 | 112.8 | T683 F684 T685 T689 I695 L697 L705 | T683-M687 HydrophobicContact CG2-SD 4.19Å; T683-M687 VanDerWaalsContact O-CG 3.28Å; T683-M687 WeakPolarHBondContact O-CG 3.49Å; T683-M687 PolarHBondContact O-N 2.87Å; F684-M687 PolarHBondContact O-N 2.67Å; T685-M687 VanDerWaalsContact C-N 3.29Å; T685-M687 PolarHBondContact O-N 3.09Å; M687-T689 VanDerWaalsContact C-N 3.3Å; M687-T689 PolarHBondContact O-N 3.06Å; M687-I695 HydrophobicContact CB-CG2 4.02Å; M687-L697 HydrophobicContact CE-CD2 3.4Å; M687-L697 VanDerWaalsContact CE-CD2 3.4Å; M687-L697 HydrophobicContact SD-CD2 4.22Å; M687-L705 HydrophobicContact SD-CD1 3.83Å |
| 688 | D | 89.6 | Confident | 87.8 | Confident | 25 Ų | 25 | 74 Ų | 74 | 13% | 0.134 | 42% | 0.424 | C | S | . | . | trans | -79.2 | 73.5 | 174.5 | -176.5 | 8.7 | 0 | 0 | 0 | 110.7 | F684 D690 G691 D692 G693 I695 | F684-D688 HydrophobicContact CD1-CB 4.31Å; F684-D688 HydrophobicContact CE1-CB 4.05Å; F684-D688 WeakPolarHBondContact O-CB 3.39Å; F684-D688 PolarHBondContact O-N 3.05Å; D688-D690 VanDerWaalsContact C-N 3.32Å; D688-D690 PolarHBondContact O-N 3.35Å; D688-G691 WeakPolarHBondContact OD1-CA 3.32Å; D688-G691 PolarHBondContact OD1-N 2.66Å; D688-D692 PolarHBondContact OD1-N 2.89Å; D688-D692 VanDerWaalsContact OD1-N 3.15Å; D688-G693 WeakPolarHBondContact OD2-CA 3.38Å; D688-G693 PolarHBondContact OD2-N 3.23Å; D688-G693 VanDerWaalsContact OD2-N 3.11Å; D688-I695 HydrophobicContact CB-CG2 4.18Å | ||
| 689 | T | 86.9 | Confident | 87.7 | Confident | 130 Ų | 130 | 81.8 Ų | 81.8 | 80% | 0.798 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -73.6 | -21.3 | -174.2 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | M687 | M687-T689 VanDerWaalsContact C-N 3.3Å; M687-T689 PolarHBondContact O-N 3.06Å |
| 690 | D | 87.4 | Confident | 87.8 | Confident | 119 Ų | 119 | 88.4 Ų | 88.4 | 64% | 0.636 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -100.2 | -10.9 | 179.1 | 52.7 | -13.4 | 0 | 0 | 0 | 113.4 | D688 D692 | D688-D690 VanDerWaalsContact C-N 3.32Å; D688-D690 PolarHBondContact O-N 3.35Å; D690-D692 VanDerWaalsContact C-N 3.31Å |
| 691 | G | 84.8 | Confident | 87.8 | Confident | 59 Ų | 59 | 88 Ų | 88 | 61% | 0.608 | 48% | 0.483 | S | S | * | . | trans | 71.9 | 26.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D688 G693 | D688-G691 WeakPolarHBondContact OD1-CA 3.32Å; D688-G691 PolarHBondContact OD1-N 2.66Å; G691-G693 VanDerWaalsContact C-N 3.28Å | ||
| 692 | D | 86.9 | Confident | 87.7 | Confident | 90 Ų | 90 | 92.5 Ų | 92.5 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -85.2 | -5.5 | -179.1 | 82 | -10.6 | 0 | 0 | 0 | 112.5 | D688 D690 Q694 | D688-D692 PolarHBondContact OD1-N 2.89Å; D688-D692 VanDerWaalsContact OD1-N 3.15Å; D690-D692 VanDerWaalsContact C-N 3.31Å; D692-Q694 WeakPolarHBondContact OD1-CA 3.47Å; D692-Q694 WeakPolarHBondContact OD1-CB 3.13Å; D692-Q694 PolarHBondContact OD1-N 2.84Å |
| 693 | G | 85.8 | Confident | 87.8 | Confident | 47 Ų | 47 | 93.4 Ų | 93.4 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | S | Bend | trans | 78.8 | 17.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D688 G691 | D688-G693 WeakPolarHBondContact OD2-CA 3.38Å; D688-G693 PolarHBondContact OD2-N 3.23Å; D688-G693 VanDerWaalsContact OD2-N 3.11Å; G691-G693 VanDerWaalsContact C-N 3.28Å |
| 694 | Q | 87.7 | Confident | 87.7 | Confident | 143 Ų | 143 | 94.4 Ų | 94.4 | 67% | 0.668 | 51% | 0.511 | S | S | * | . | trans | -130.4 | 146.8 | 177.4 | -57.3 | -172.9 | 18.7 | 0 | 0 | 111.5 | D692 | D692-Q694 WeakPolarHBondContact OD1-CA 3.47Å; D692-Q694 WeakPolarHBondContact OD1-CB 3.13Å; D692-Q694 PolarHBondContact OD1-N 2.84Å | ||
| 695 | I | 90.3 | Very high | 87.4 | Confident | 57 Ų | 57 | 93.1 Ų | 93.1 | 29% | 0.292 | 51% | 0.508 | S | S | . | . | trans | -126.4 | 137.3 | 172.4 | 63.8 | 172.3 | 0 | 0 | 0 | 109.9 | F684 M687 D688 L697 | F684-I695 HydrophobicContact CD2-CD1 3.9Å; F684-I695 HydrophobicContact CD2-CG1 4.24Å; F684-I695 HydrophobicContact CD2-CG2 4.09Å; F684-I695 HydrophobicContact CE2-CB 4.45Å; F684-I695 HydrophobicContact CE2-CD1 4.1Å; F684-I695 HydrophobicContact CE2-CG1 3.93Å; F684-I695 HydrophobicContact CE2-CG2 3.84Å; F684-I695 HydrophobicContact CZ-CG2 4.09Å; M687-I695 HydrophobicContact CB-CG2 4.02Å; D688-I695 HydrophobicContact CB-CG2 4.18Å; I695-L697 HydrophobicContact CD1-CD1 3.94Å; I695-L697 HydrophobicContact CD1-CG 4.29Å | ||
| 696 | S | 87.9 | Confident | 87.2 | Confident | 121 Ų | 121 | 91.3 Ų | 91.3 | 85% | 0.846 | 50% | 0.497 | S | S | * | . | trans | -104.1 | 115.8 | 176.2 | -72.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 697 | L | 89.8 | Confident | 86.8 | Confident | 49 Ų | 49 | 92.5 Ų | 92.5 | 26% | 0.257 | 50% | 0.5 | S | S | . | . | trans | -120.2 | 133.4 | 179.1 | -59.4 | 174.5 | 0 | 0 | 0 | 110.2 | M687 I695 Q701 W702 | M687-L697 HydrophobicContact CE-CD2 3.4Å; M687-L697 VanDerWaalsContact CE-CD2 3.4Å; M687-L697 HydrophobicContact SD-CD2 4.22Å; I695-L697 HydrophobicContact CD1-CD1 3.94Å; I695-L697 HydrophobicContact CD1-CG 4.29Å; L697-Q701 HydrophobicContact CB-CB 4.31Å; L697-Q701 HydrophobicContact CD2-CB 4.13Å; L697-W702 HydrophobicContact CB-CB 4.48Å; L697-W702 HydrophobicContact CD1-CE3 3.96Å | ||
| 698 | N | 91.4 | Very high | 85.8 | Confident | 85 Ų | 85 | 96.1 Ų | 96.1 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | trans | -77 | 168.4 | 164.4 | 71.8 | 42.5 | 0 | 0 | 0 | 110.8 | F700 Q701 W702 | N698-F700 VanDerWaalsContact C-N 3.31Å; N698-F700 PolarHBondContact O-N 2.56Å; N698-F700 WeakPolarHBondContact OD1-CB 3.45Å; N698-F700 PolarHBondContact OD1-N 3.3Å; N698-F700 VanDerWaalsContact OD1-N 3.08Å; N698-Q701 VanDerWaalsContact CG-OE1 3.23Å; N698-Q701 VanDerWaalsContact ND2-CD 3.34Å; N698-Q701 PolarHBondContact ND2-OE1 2.82Å; N698-Q701 PolarHBondContact O-N 2.85Å; N698-Q701 WeakPolarHBondContact OD1-CG 3.29Å; N698-Q701 PolarHBondContact OD1-N 2.87Å; N698-W702 PolarHBondContact O-N 2.77Å | ||
| 699 | F | 88.3 | Confident | 84 | Confident | 164 Ų | 164 | 96.5 Ų | 96.5 | 72% | 0.719 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.1 | -41.1 | -176.6 | -179.2 | -108.1 | 0 | 0 | 0 | 113.5 | W702 I703 | F699-W702 PolarHBondContact O-N 3.09Å; F699-I703 HydrophobicContact CD1-CG1 4.48Å; F699-I703 HydrophobicContact CD2-CG1 4.34Å; F699-I703 HydrophobicContact CE1-CG1 4.08Å; F699-I703 HydrophobicContact CE2-CD1 4.07Å; F699-I703 HydrophobicContact CE2-CG1 3.92Å; F699-I703 HydrophobicContact CZ-CD1 4.04Å; F699-I703 HydrophobicContact CZ-CG1 3.78Å; F699-I703 WeakPolarHBondContact O-CG1 3.43Å; F699-I703 PolarHBondContact O-N 3.32Å |
| 700 | F | 89.4 | Confident | 83.9 | Confident | 156 Ų | 156 | 94.9 Ų | 94.9 | 68% | 0.684 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.8 | -43.4 | 178.7 | 174.6 | -99.2 | 0 | 0 | 0 | 111.8 | N698 I703 T704 | N698-F700 VanDerWaalsContact C-N 3.31Å; N698-F700 PolarHBondContact O-N 2.56Å; N698-F700 WeakPolarHBondContact OD1-CB 3.45Å; N698-F700 PolarHBondContact OD1-N 3.3Å; N698-F700 VanDerWaalsContact OD1-N 3.08Å; F700-I703 PolarHBondContact O-N 3.46Å; F700-T704 WeakPolarHBondContact O-CB 3.34Å; F700-T704 PolarHBondContact O-N 2.96Å; F700-T704 PolarHBondContact O-OG1 3.22Å |
| 701 | Q | 88.6 | Confident | 83.7 | Confident | 83 Ų | 83 | 93.6 Ų | 93.6 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.3 | -70.5 | 166.9 | -31.6 | 0 | 0 | 111.3 | L697 N698 T704 L705 | L697-Q701 HydrophobicContact CB-CB 4.31Å; L697-Q701 HydrophobicContact CD2-CB 4.13Å; N698-Q701 VanDerWaalsContact CG-OE1 3.23Å; N698-Q701 VanDerWaalsContact ND2-CD 3.34Å; N698-Q701 PolarHBondContact ND2-OE1 2.82Å; N698-Q701 PolarHBondContact O-N 2.85Å; N698-Q701 WeakPolarHBondContact OD1-CG 3.29Å; N698-Q701 PolarHBondContact OD1-N 2.87Å; Q701-T704 PolarHBondContact O-N 3.15Å; Q701-L705 WeakPolarHBondContact O-CB 3.27Å; Q701-L705 PolarHBondContact O-N 3.29Å |
| 702 | W | 87.8 | Confident | 83.6 | Confident | 135 Ų | 135 | 95.5 Ų | 95.5 | 51% | 0.511 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 176.2 | 171.9 | -105.8 | 0 | 0 | 0 | 112.3 | L697 N698 F699 L705 T706 | L697-W702 HydrophobicContact CB-CB 4.48Å; L697-W702 HydrophobicContact CD1-CE3 3.96Å; N698-W702 PolarHBondContact O-N 2.77Å; F699-W702 PolarHBondContact O-N 3.09Å; W702-L705 PolarHBondContact O-N 3.35Å; W702-T706 HydrophobicContact CD2-CG2 3.86Å; W702-T706 HydrophobicContact CE3-CG2 3.99Å; W702-T706 HydrophobicContact CH2-CG2 3.69Å; W702-T706 HydrophobicContact CZ2-CG2 3.53Å; W702-T706 HydrophobicContact CZ3-CG2 3.91Å; W702-T706 WeakPolarHBondContact O-CB 3.47Å; W702-T706 WeakPolarHBondContact O-CG2 3.27Å; W702-T706 PolarHBondContact O-N 2.77Å; W702-T706 PolarHBondContact O-OG1 3.22Å |
| 703 | I | 88.3 | Confident | 83.5 | Confident | 71 Ų | 71 | 95.8 Ų | 95.8 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 178.2 | -67 | -65.2 | 0 | 0 | 0 | 111 | F699 F700 L705 T706 M707 | F699-I703 HydrophobicContact CD1-CG1 4.48Å; F699-I703 HydrophobicContact CD2-CG1 4.34Å; F699-I703 HydrophobicContact CE1-CG1 4.08Å; F699-I703 HydrophobicContact CE2-CD1 4.07Å; F699-I703 HydrophobicContact CE2-CG1 3.92Å; F699-I703 HydrophobicContact CZ-CD1 4.04Å; F699-I703 HydrophobicContact CZ-CG1 3.78Å; F699-I703 WeakPolarHBondContact O-CG1 3.43Å; F699-I703 PolarHBondContact O-N 3.32Å; F700-I703 PolarHBondContact O-N 3.46Å; I703-L705 VanDerWaalsContact C-N 3.33Å; I703-L705 PolarHBondContact O-N 2.97Å; I703-T706 PolarHBondContact O-N 3.27Å; I703-T706 PolarHBondContact O-OG1 3.31Å; I703-M707 HydrophobicContact CG2-CG 4Å; I703-M707 VanDerWaalsContact O-CB 3.23Å; I703-M707 WeakPolarHBondContact O-CB 3.44Å; I703-M707 VanDerWaalsContact O-CG 3.28Å; I703-M707 WeakPolarHBondContact O-CG 3.11Å; I703-M707 PolarHBondContact O-N 3.3Å |
| 704 | T | 83.2 | Confident | 83.3 | Confident | 71 Ų | 71 | 98.9 Ų | 98.9 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 178.8 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | F700 Q701 F708 | F700-T704 WeakPolarHBondContact O-CB 3.34Å; F700-T704 PolarHBondContact O-N 2.96Å; F700-T704 PolarHBondContact O-OG1 3.22Å; Q701-T704 PolarHBondContact O-N 3.15Å; T704-F708 WeakPolarHBondContact O-CB 3.34Å; T704-F708 PolarHBondContact O-N 2.79Å |
| 705 | L | 83.2 | Confident | 83 | Confident | 51 Ų | 51 | 95.9 Ų | 95.9 | 27% | 0.267 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.5 | -43.5 | 179.1 | -174.6 | 140.9 | 0 | 0 | 0 | 112.2 | T683 M687 Q701 W702 I703 A709 | T683-L705 HydrophobicContact CG2-CD1 3.57Å; T683-L705 HydrophobicContact CG2-CG 4.39Å; M687-L705 HydrophobicContact SD-CD1 3.83Å; Q701-L705 WeakPolarHBondContact O-CB 3.27Å; Q701-L705 PolarHBondContact O-N 3.29Å; W702-L705 PolarHBondContact O-N 3.35Å; I703-L705 VanDerWaalsContact C-N 3.33Å; I703-L705 PolarHBondContact O-N 2.97Å; L705-A709 WeakPolarHBondContact O-CB 3.17Å; L705-A709 PolarHBondContact O-N 3.16Å |
| 706 | T | 82.2 | Confident | 82.5 | Confident | 55 Ų | 55 | 98.7 Ų | 98.7 | 34% | 0.337 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -76.9 | -29.9 | -175.9 | 48.9 | 0 | 0 | 0 | 0 | 114.1 | W702 I703 | W702-T706 HydrophobicContact CD2-CG2 3.86Å; W702-T706 HydrophobicContact CE3-CG2 3.99Å; W702-T706 HydrophobicContact CH2-CG2 3.69Å; W702-T706 HydrophobicContact CZ2-CG2 3.53Å; W702-T706 HydrophobicContact CZ3-CG2 3.91Å; W702-T706 WeakPolarHBondContact O-CB 3.47Å; W702-T706 WeakPolarHBondContact O-CG2 3.27Å; W702-T706 PolarHBondContact O-N 2.77Å; W702-T706 PolarHBondContact O-OG1 3.22Å; I703-T706 PolarHBondContact O-N 3.27Å; I703-T706 PolarHBondContact O-OG1 3.31Å |
| 707 | M | 77.1 | Confident | 82.1 | Confident | 150 Ų | 150 | 97 Ų | 97 | 74% | 0.739 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -77.6 | -26.4 | 178.1 | -75.3 | -66.1 | -58.2 | 0 | 0 | 113.4 | I703 | I703-M707 HydrophobicContact CG2-CG 4Å; I703-M707 VanDerWaalsContact O-CB 3.23Å; I703-M707 WeakPolarHBondContact O-CB 3.44Å; I703-M707 VanDerWaalsContact O-CG 3.28Å; I703-M707 WeakPolarHBondContact O-CG 3.11Å; I703-M707 PolarHBondContact O-N 3.3Å |
| 708 | F | 64.9 | Low | 81.4 | Confident | 158 Ų | 158 | 101 Ų | 101 | 69% | 0.693 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -101.4 | -1.5 | -175.9 | -129.5 | -95.1 | 0 | 0 | 0 | 113.4 | N590 T704 | N590-F708 PolarHBondContact ND2-O 3.44Å; T704-F708 WeakPolarHBondContact O-CB 3.34Å; T704-F708 PolarHBondContact O-N 2.79Å |
| 709 | A | 53.1 | Low | 80.5 | Confident | 33 Ų | 33 | 102.5 Ų | 102.5 | 27% | 0.273 | 49% | 0.492 | S | S | . | . | trans | -97.6 | 0 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | R676 L705 | R676-A709 PolarHBondContact NH1-O 2.99Å; R676-A709 PolarHBondContact NH1-OXT 3.05Å; R676-A709 PolarHBondContact NH2-O 2.87Å; L705-A709 WeakPolarHBondContact O-CB 3.17Å; L705-A709 PolarHBondContact O-N 3.16Å |
Retrieved 709 of 709 residues in 2751.1 ms
(Link to these results)